diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml new file mode 100644 index 0000000..1b02566 --- /dev/null +++ b/.pre-commit-config.yaml @@ -0,0 +1,28 @@ +ci: + autofix_commit_msg: | + [pre-commit.ci] auto fixes from pre-commit.com hooks + for more information, see https://pre-commit.ci + autofix_prs: true + autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate' + autoupdate_schedule: weekly + skip: [] + submodules: false +repos: +- repo: https://github.com/pre-commit/pre-commit-hooks + rev: v4.1.0 + hooks: + - id: check-yaml + - id: end-of-file-fixer + - id: trailing-whitespace + exclude: setup.cfg +- repo: https://github.com/psf/black + rev: 22.3.0 + hooks: + - id: black + args: [--line-length=80] +- repo: https://github.com/pycqa/isort + rev: 5.10.1 + hooks: + - id: isort + name: isort (python) + args: [--profile=black, --line-length=80] diff --git a/CITATION.cff b/CITATION.cff index 86bea79..8acdf9b 100644 --- a/CITATION.cff +++ b/CITATION.cff @@ -1,12 +1,14 @@ -cff-version: 1.1.0 +cff-version: 1.2.0 message: "If you use this software, please cite it as below." authors: - family-names: Crawford given-names: Brad orcid: https://orcid.org/0000-0003-0638-7333 - - family-names: Potoff + - family-names: Potoff given-names: Jeffrey orcid: https://orcid.org/0000-0002-4421-8787 title: py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD -version: 0.0.1 + url: https://doi.org/10.5281/zenodo.5142483 + doi: 10.5281/zenodo.5142483 +version: 0.0.2 date-released: 2021-7-28 diff --git a/LICENSE b/LICENSE index b5bf3a8..5430510 100644 --- a/LICENSE +++ b/LICENSE @@ -1,4 +1,4 @@ -Note: There are 2 different licenses, one (1) for NAMD_GOMC and +Note: There are 2 different licenses, one (1) for NAMD_GOMC and one (1) the CatDCD - Concatenate DCD files NAMD_GOMC LICENSE: diff --git a/README.md b/README.md index d0ba263..5428002 100644 --- a/README.md +++ b/README.md @@ -2,8 +2,6 @@ -------- This Python code enables hybrid molecular dynamics/Monte Carlo (MD/MC) simulations using [NAMD](https://www.ks.uiuc.edu/Research/namd/) and the [GPU Optimized Monte Carlo (GOMC)](http://gomc.eng.wayne.edu) software. -The Python code allows users to switch back and forth between the NAMD and GOMC simulation engines, with one (1) iteration of each NAMD and GOMC consisting of a cycle. The user programs the number of cycles and the number of NAMD and GOMC steps per cycle. Combining the MD/MC simulations allows the best of both types of simulations while minimizing the downsides, and in some cases, enabling simulations that were previously not feasible. This code allows the modification of the NAMD and GOMC control files, maximizing user flexibility and functionality. +The Python code allows users to switch back and forth between the NAMD and GOMC simulation engines, with one (1) iteration of each NAMD and GOMC consisting of a cycle. The user programs the number of cycles and the number of NAMD and GOMC steps per cycle. Combining the MD/MC simulations allows the best of both types of simulations while minimizing the downsides, and in some cases, enabling simulations that were previously not feasible. This code allows the modification of the NAMD and GOMC control files, maximizing user flexibility and functionality. Please see the [py-MCMD Read the Docs](https://py-mcmd.readthedocs.io/en/latest/) webpage for more information and instructions. - - diff --git a/combine_data_NAMD_GOMC.py b/combine_data_NAMD_GOMC.py index dce9140..3e6cd53 100644 --- a/combine_data_NAMD_GOMC.py +++ b/combine_data_NAMD_GOMC.py @@ -1,15 +1,15 @@ import argparse -import sys +import glob +import json import os -import pandas as pd -import scipy as sp -import numpy as np import subprocess -import json -import glob - +import sys from warnings import warn +import numpy as np +import pandas as pd +import scipy as sp + # combines the data from the MD/MC simulations (NAMD/GOMC) for the NPT, NVT, GEMC, and GCMC ensembles # or just combines the log files for the NAMD-only or GOMC-only simulations. @@ -20,39 +20,59 @@ def _get_args(): arg_parser = argparse.ArgumentParser() # get the filename with the user required input - arg_parser.add_argument("-f", "--file", - help="str. Defines the variable inputs to the hybrid NAMD/GOMC, NAMD-only, or GOMC-only " - "log or consol output combining scipt.", - type=str) + arg_parser.add_argument( + "-f", + "--file", + help="str. Defines the variable inputs to the hybrid NAMD/GOMC, NAMD-only, or GOMC-only " + "log or consol output combining scipt.", + type=str, + ) # name the file folder in which the data will be combined. - arg_parser.add_argument("-w", "--write_folder_name", - help="str. Defines the folder name in which the files containing the output variables " - "will be combined and written in.", - type=str) + arg_parser.add_argument( + "-w", + "--write_folder_name", + help="str. Defines the folder name in which the files containing the output variables " + "will be combined and written in.", + type=str, + ) # name the file folder in which the data will be combined. - arg_parser.add_argument("-o", "--overwrite", - help="bool (True, true, T, t, False, false, F, or f). Overwrites the folder in which " - "the output variables will be combined and added in, if the file already exists.", - type=str, default='False') + arg_parser.add_argument( + "-o", + "--overwrite", + help="bool (True, true, T, t, False, false, F, or f). Overwrites the folder in which " + "the output variables will be combined and added in, if the file already exists.", + type=str, + default="False", + ) parser_arguments = arg_parser.parse_args() # check to see if the file exists if parser_arguments.file: - if os.path.exists(parser_arguments.file) : - print("INFO: Reading data from <{}> file.".format(parser_arguments.file)) + if os.path.exists(parser_arguments.file): + print( + "INFO: Reading data from <{}> file.".format( + parser_arguments.file + ) + ) else: - raise FileNotFoundError("ERROR: Console file <{}> does not exist!".format(parser_arguments.file)) + raise FileNotFoundError( + "ERROR: Console file <{}> does not exist!".format( + parser_arguments.file + ) + ) else: - raise IOError("ERROR: The user input file was not specified as -f or --file") + raise IOError( + "ERROR: The user input file was not specified as -f or --file" + ) # set check if overwrite is set to true, if not set to False - if parser_arguments.overwrite in ['False', 'false', 'F', 'f']: + if parser_arguments.overwrite in ["False", "false", "F", "f"]: print("INFO: By default, the combining folder will not be overwritten.") parser_arguments.overwrite = False - elif parser_arguments.overwrite in ['True', 'true', 'T', 't']: + elif parser_arguments.overwrite in ["True", "true", "T", "t"]: print("INFO: The combining folder will be overwritten.") parser_arguments.overwrite = True else: @@ -60,40 +80,60 @@ def _get_args(): # set check if the combining data file folder name is provided if isinstance(parser_arguments.write_folder_name, str) is True: - print("INFO: The combining folder is named <{}>.".format(parser_arguments.write_folder_name)) + print( + "INFO: The combining folder is named <{}>.".format( + parser_arguments.write_folder_name + ) + ) else: - raise TypeError("ERROR: The -w or --write_folder_name flag was not provided. This flag defines " - "the folder name which is created and will contain the combined data.") + raise TypeError( + "ERROR: The -w or --write_folder_name flag was not provided. This flag defines " + "the folder name which is created and will contain the combined data." + ) # check to see if the folder exists - if os.path.exists(parser_arguments.write_folder_name) and parser_arguments.overwrite is False: - raise IOError("ERROR: The file folder <{}> already exists. If you want to overwrite it, set the " - "-o or --overwrite flag as True.".format(parser_arguments.write_folder_name) - ) - elif os.path.exists(parser_arguments.write_folder_name) and parser_arguments.overwrite is True: - print("INFO: The combining folder <{}> will be overwritten." - "".format(parser_arguments.write_folder_name) - ) + if ( + os.path.exists(parser_arguments.write_folder_name) + and parser_arguments.overwrite is False + ): + raise IOError( + "ERROR: The file folder <{}> already exists. If you want to overwrite it, set the " + "-o or --overwrite flag as True.".format( + parser_arguments.write_folder_name + ) + ) + elif ( + os.path.exists(parser_arguments.write_folder_name) + and parser_arguments.overwrite is True + ): + print( + "INFO: The combining folder <{}> will be overwritten." + "".format(parser_arguments.write_folder_name) + ) + + return [ + parser_arguments.file, + parser_arguments.write_folder_name, + parser_arguments.overwrite, + ] - return [parser_arguments.file, parser_arguments.write_folder_name, parser_arguments.overwrite] # ************************************************* # The python arguments that need to be selected to run the simulations (end) # ************************************************* - # ************************************************* # Import read and check the user input file for errors (start) # ************************************************* # import and read the users json file [json_filename, write_folder_name, overwrite_folder] = _get_args() -print('arg_parser.file = {}'.format(json_filename)) -print('parser_arguments.write_folder_name = {}'.format(write_folder_name)) -print('parser_arguments.overwrite = {}'.format(overwrite_folder)) +print("arg_parser.file = {}".format(json_filename)) +print("parser_arguments.write_folder_name = {}".format(write_folder_name)) +print("parser_arguments.overwrite = {}".format(overwrite_folder)) json_file_data = json.load(open(json_filename)) -#json_file_data = json.load(open("user_input_combine_data_NAMD_GOMC.json")) +# json_file_data = json.load(open("user_input_combine_data_NAMD_GOMC.json")) json_file_data_keys_list = json_file_data.keys() # ************************************************* @@ -106,15 +146,26 @@ def _get_args(): simulation_type = json_file_data["simulation_type"] if not isinstance(simulation_type, str): raise TypeError("The simulation_type is not a string.\n") -if simulation_type not in ['GEMC', 'GCMC', 'NPT', 'NVT']: - raise ValueError("The simulation_type is the string 'GEMC', 'GCMC', 'NPT', or 'NVT'.\n") +if simulation_type not in ["GEMC", "GCMC", "NPT", "NVT"]: + raise ValueError( + "The simulation_type is the string 'GEMC', 'GCMC', 'NPT', or 'NVT'.\n" + ) # get the only_use_box_0_for_namd_for_gemc variable from the json file if "only_use_box_0_for_namd_for_gemc" not in json_file_data_keys_list: - raise TypeError("The only_use_box_0_for_namd_for_gemc key is not provided.\n") -only_use_box_0_for_namd_for_gemc = json_file_data["only_use_box_0_for_namd_for_gemc"] -if only_use_box_0_for_namd_for_gemc is not True and only_use_box_0_for_namd_for_gemc is not False: - raise TypeError("The only_use_box_0_for_namd_for_gemc not true or false in the json file.\n") + raise TypeError( + "The only_use_box_0_for_namd_for_gemc key is not provided.\n" + ) +only_use_box_0_for_namd_for_gemc = json_file_data[ + "only_use_box_0_for_namd_for_gemc" +] +if ( + only_use_box_0_for_namd_for_gemc is not True + and only_use_box_0_for_namd_for_gemc is not False +): + raise TypeError( + "The only_use_box_0_for_namd_for_gemc not true or false in the json file.\n" + ) # get the only_use_box_0_for_namd_for_gemc variable from the json file # string 'Hybrid', 'NAMD-only', 'GOMC-only' , 'Hybrid need to be in the directory @@ -123,59 +174,83 @@ def _get_args(): raise TypeError("The simulation_engine_options key is not provided.\n") simulation_engine_options = json_file_data["simulation_engine_options"] if simulation_engine_options not in ["Hybrid", "GOMC-only", "NAMD-only"]: - raise TypeError('The simulation_engine_options are only "Hybrid", "GOMC-only", or "NAMD-only", ' - 'which are entered in the json file.\n') + raise TypeError( + 'The simulation_engine_options are only "Hybrid", "GOMC-only", or "NAMD-only", ' + "which are entered in the json file.\n" + ) # get the gomc_or_namd_only_log_filename variable from the json file if "gomc_or_namd_only_log_filename" not in json_file_data_keys_list: raise TypeError("The gomc_or_namd_only_log_filename key is not provided.\n") -gomc_or_namd_only_log_filename = json_file_data["gomc_or_namd_only_log_filename"] +gomc_or_namd_only_log_filename = json_file_data[ + "gomc_or_namd_only_log_filename" +] if not isinstance(gomc_or_namd_only_log_filename, str): - raise TypeError('The gomc_or_namd_only_log_filename must be entered as a string in the json file.\n') + raise TypeError( + "The gomc_or_namd_only_log_filename must be entered as a string in the json file.\n" + ) # get the combine_namd_dcd_file variable from the json file if "combine_namd_dcd_file" not in json_file_data_keys_list: raise TypeError("The combine_namd_dcd_file key is not provided.\n") combine_namd_dcd_file = json_file_data["combine_namd_dcd_file"] if combine_namd_dcd_file is not True and combine_namd_dcd_file is not False: - raise TypeError("The combine_namd_dcd_file not true or false in the json file.\n") + raise TypeError( + "The combine_namd_dcd_file not true or false in the json file.\n" + ) # get the combine_gomc_dcd_file variable from the json file if "combine_gomc_dcd_file" not in json_file_data_keys_list: raise TypeError("The combine_gomc_dcd_file key is not provided.\n") combine_gomc_dcd_file = json_file_data["combine_gomc_dcd_file"] if combine_gomc_dcd_file is not True and combine_gomc_dcd_file is not False: - raise TypeError("The combine_gomc_dcd_file not true or false in the json file.\n") + raise TypeError( + "The combine_gomc_dcd_file not true or false in the json file.\n" + ) # get the combine_dcd_files_cycle_freq variable from the json file if "combine_dcd_files_cycle_freq" not in json_file_data_keys_list: raise TypeError("The combine_dcd_files_cycle_freq key is not provided.\n") combine_dcd_files_cycle_freq = json_file_data["combine_dcd_files_cycle_freq"] if not isinstance(combine_dcd_files_cycle_freq, int): - raise TypeError("The combine_dcd_files_cycle_freq values must be an integer.\n") + raise TypeError( + "The combine_dcd_files_cycle_freq values must be an integer.\n" + ) else: if combine_dcd_files_cycle_freq < 1: - raise TypeError("The combine_dcd_files_cycle_freq values must be an integer " - "greater than or equal to zero (>=1.\n") + raise TypeError( + "The combine_dcd_files_cycle_freq values must be an integer " + "greater than or equal to zero (>=1.\n" + ) # get the get_initial_gomc_dcd variable from the json file if "get_initial_gomc_dcd" not in json_file_data_keys_list: raise TypeError("The get_initial_gomc_dcd key is not provided.\n") get_initial_gomc_dcd = json_file_data["get_initial_gomc_dcd"] if get_initial_gomc_dcd is not True and get_initial_gomc_dcd is not False: - raise TypeError("The get_initial_gomc_dcd not true or false in the json file.\n") + raise TypeError( + "The get_initial_gomc_dcd not true or false in the json file.\n" + ) # get the rel_path_to_combine_binary_catdcd variable from the json file if "rel_path_to_combine_binary_catdcd" not in json_file_data_keys_list: - raise TypeError("The rel_path_to_combine_binary_catdcd key is not provided.\n") -rel_path_to_combine_binary_catdcd = json_file_data["rel_path_to_combine_binary_catdcd"] + raise TypeError( + "The rel_path_to_combine_binary_catdcd key is not provided.\n" + ) +rel_path_to_combine_binary_catdcd = json_file_data[ + "rel_path_to_combine_binary_catdcd" +] if not isinstance(rel_path_to_combine_binary_catdcd, str): - raise TypeError('The rel_path_to_combine_binary_catdcd must be entered as a string in the json file.\n') + raise TypeError( + "The rel_path_to_combine_binary_catdcd must be entered as a string in the json file.\n" + ) -warn('If the combining file fails without a set reason/error, please check the ' - '"simulation_engine_options", "out.dat", and the "rel_path_to_combine_binary_catdcd" variables. ' - 'The user needs to ensure that these are proper paths and file types, since these variables ' - 'are currently only checked to confirm they are strings.') +warn( + "If the combining file fails without a set reason/error, please check the " + '"simulation_engine_options", "out.dat", and the "rel_path_to_combine_binary_catdcd" variables. ' + "The user needs to ensure that these are proper paths and file types, since these variables " + "are currently only checked to confirm they are strings." +) # ************************************************* # Changable variables (end) @@ -191,149 +266,220 @@ def _get_args(): path_combined_data_folder = write_folder_name os.makedirs(path_combined_data_folder, exist_ok=True) -full_path_to_namd_data_folder = python_file_directory + "/" + str(path_namd_runs) -full_path_to_gomc_data_folder = python_file_directory + "/" + str(path_gomc_runs) -full_path_to_combined_data_folder = python_file_directory + "/" + str(path_combined_data_folder) +full_path_to_namd_data_folder = ( + python_file_directory + "/" + str(path_namd_runs) +) +full_path_to_gomc_data_folder = ( + python_file_directory + "/" + str(path_gomc_runs) +) +full_path_to_combined_data_folder = ( + python_file_directory + "/" + str(path_combined_data_folder) +) # ************************************************* # create NAMD and GOMC folders (end) # ************************************************* -K_to_kcal_mol = 1.98720425864083 * 10**(-3) +K_to_kcal_mol = 1.98720425864083 * 10 ** (-3) # get the number of directories in each NAMD or GOMC folder. Note: for the NAMD simulations, ' # the data is split between the liquid box (dir ending in '_a'), and the vapor box (dir ending in '_b') -if simulation_engine_options == 'Hybrid': - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: +if simulation_engine_options == "Hybrid": + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): namd_directory_a_list = [] namd_directory_b_list = [] - total_namd_directory_list = sorted(os.listdir(python_file_directory + '/' + str(path_namd_runs))) + total_namd_directory_list = sorted( + os.listdir(python_file_directory + "/" + str(path_namd_runs)) + ) no_total_namd_directory_list = len(total_namd_directory_list) for i in range(0, len(total_namd_directory_list)): namd_directory_iter = str(total_namd_directory_list[i]) - if namd_directory_iter[-2:] == '_a': + if namd_directory_iter[-2:] == "_a": namd_directory_a_list.append(namd_directory_iter) - elif namd_directory_iter[-2:] == '_b': + elif namd_directory_iter[-2:] == "_b": namd_directory_b_list.append(namd_directory_iter) namd_directory_a_list = sorted(namd_directory_a_list) namd_directory_b_list = sorted(namd_directory_b_list) no_namd_directory_a = len(namd_directory_a_list) no_namd_directory_b = len(namd_directory_b_list) - if no_namd_directory_a + no_namd_directory_b != no_total_namd_directory_list: - warn("WARNING: The total NAMD directories does not match the '..._a (NAMD liq box" - "..._b (NAMD vap box)' directories") + if ( + no_namd_directory_a + no_namd_directory_b + != no_total_namd_directory_list + ): + warn( + "WARNING: The total NAMD directories does not match the '..._a (NAMD liq box" + "..._b (NAMD vap box)' directories" + ) else: namd_directory_a_list = [] - total_namd_directory_list = sorted(os.listdir(python_file_directory + '/' + str(path_namd_runs))) + total_namd_directory_list = sorted( + os.listdir(python_file_directory + "/" + str(path_namd_runs)) + ) no_total_namd_directory_list = len(total_namd_directory_list) for i in range(0, len(total_namd_directory_list)): namd_directory_iter = str(total_namd_directory_list[i]) - if namd_directory_iter[-2:] == '_a': + if namd_directory_iter[-2:] == "_a": namd_directory_a_list.append(namd_directory_iter) namd_directory_a_list = sorted(namd_directory_a_list) no_namd_directory_a = len(namd_directory_a_list) if no_namd_directory_a != no_total_namd_directory_list: - print("WARNING: The total NAMD directories does not match the '..._a (NAMD liq box)' directories") + print( + "WARNING: The total NAMD directories does not match the '..._a (NAMD liq box)' directories" + ) - gomc_directory_list = sorted(os.listdir(python_file_directory + '/' + str(path_gomc_runs))) + gomc_directory_list = sorted( + os.listdir(python_file_directory + "/" + str(path_gomc_runs)) + ) no_gomc_directory = len(gomc_directory_list) # confirm there are the same number of directories for GOMC and NAMD (vap and liq , [i.e., _a and _b]) try: no_namd_directory_b - if no_gomc_directory != no_namd_directory_a or no_gomc_directory != no_namd_directory_b: - warn("WARNING: The total NAMD directories and GOMC directories does not match!") + if ( + no_gomc_directory != no_namd_directory_a + or no_gomc_directory != no_namd_directory_b + ): + warn( + "WARNING: The total NAMD directories and GOMC directories does not match!" + ) except: if no_gomc_directory != no_namd_directory_a: - warn("WARNING: The total NAMD directories and GOMC directories does not match!") - - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: + warn( + "WARNING: The total NAMD directories and GOMC directories does not match!" + ) + + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): try: namd_interation = str(namd_directory_b_list[namd_interation]) except: - raise ValueError("Box 1 data does not exist for NAMD, maybe use " - "only_use_box_0_for_namd_for_gemc == True") + raise ValueError( + "Box 1 data does not exist for NAMD, maybe use " + "only_use_box_0_for_namd_for_gemc == True" + ) # get the total number of simulation = 2 * number of cycles or 1 * number of GOMC directories total_sims_namd_gomc = int(2 * no_gomc_directory) # set all the filenames and paths -if simulation_engine_options in ['Hybrid', 'NAMD-only']: - namd_box_0_data_filename = "{}/{}".format(full_path_to_combined_data_folder, 'NAMD_data_box_0.txt') - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_box_1_data_filename = "{}/{}".format(full_path_to_combined_data_folder, 'NAMD_data_box_1.txt') - - - namd_box_0_data_density_filename = "{}/{}".format(full_path_to_combined_data_folder, 'NAMD_data_density_box_0.txt') - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_box_1_data_density_filename = "{}/{}".format(full_path_to_combined_data_folder, 'NAMD_data_density_box_1.txt') - -if simulation_engine_options in ['Hybrid', 'GOMC-only']: - gomc_box_0_data_filename = "{}/{}".format(full_path_to_combined_data_folder, 'GOMC_data_box_0.txt') - gomc_box_0_energies_stat_filename = "{}/{}".format(full_path_to_combined_data_folder, 'GOMC_Energies_Stat_box_0.txt') - gomc_box_0_energies_stat_kcal_per_mol_filename = "{}/{}".format(full_path_to_combined_data_folder, - 'GOMC_Energies_Stat_kcal_per_mol_box_0.txt') - +if simulation_engine_options in ["Hybrid", "NAMD-only"]: + namd_box_0_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, "NAMD_data_box_0.txt" + ) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_box_1_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, "NAMD_data_box_1.txt" + ) + + namd_box_0_data_density_filename = "{}/{}".format( + full_path_to_combined_data_folder, "NAMD_data_density_box_0.txt" + ) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_box_1_data_density_filename = "{}/{}".format( + full_path_to_combined_data_folder, "NAMD_data_density_box_1.txt" + ) + +if simulation_engine_options in ["Hybrid", "GOMC-only"]: + gomc_box_0_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, "GOMC_data_box_0.txt" + ) + gomc_box_0_energies_stat_filename = "{}/{}".format( + full_path_to_combined_data_folder, "GOMC_Energies_Stat_box_0.txt" + ) + gomc_box_0_energies_stat_kcal_per_mol_filename = "{}/{}".format( + full_path_to_combined_data_folder, + "GOMC_Energies_Stat_kcal_per_mol_box_0.txt", + ) if simulation_type in ["GEMC", "GCMC"]: - gomc_box_1_data_filename = "{}/{}".format(full_path_to_combined_data_folder,'GOMC_data_box_1.txt') - gomc_box_1_energies_stat_filename = "{}/{}".format(full_path_to_combined_data_folder, - 'GOMC_Energies_Stat_box_1.txt') - gomc_box_1_energies_stat_kcal_per_mol_filename = "{}/{}".format(full_path_to_combined_data_folder, - 'GOMC_Energies_Stat_kcal_per_mol_box_1.txt') - - gomc_box_0_data_file = open(gomc_box_0_data_filename, 'w') + gomc_box_1_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, "GOMC_data_box_1.txt" + ) + gomc_box_1_energies_stat_filename = "{}/{}".format( + full_path_to_combined_data_folder, "GOMC_Energies_Stat_box_1.txt" + ) + gomc_box_1_energies_stat_kcal_per_mol_filename = "{}/{}".format( + full_path_to_combined_data_folder, + "GOMC_Energies_Stat_kcal_per_mol_box_1.txt", + ) + + gomc_box_0_data_file = open(gomc_box_0_data_filename, "w") if simulation_type in ["GEMC"]: - gomc_box_1_data_file = open(gomc_box_1_data_filename, 'w') + gomc_box_1_data_file = open(gomc_box_1_data_filename, "w") - gomc_box_0_hist_filename = "{}/{}".format(full_path_to_combined_data_folder, 'GOMC_hist_data_box_0.txt') + gomc_box_0_hist_filename = "{}/{}".format( + full_path_to_combined_data_folder, "GOMC_hist_data_box_0.txt" + ) if simulation_type in ["GCMC"]: - gomc_box_0_hist_file = open(gomc_box_0_hist_filename, 'w') - -if simulation_engine_options in ['Hybrid', 'NAMD-only']: - namd_box_0_data_file = open(namd_box_0_data_filename, 'w') - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_box_1_data_file = open(namd_box_1_data_filename, 'w') + gomc_box_0_hist_file = open(gomc_box_0_hist_filename, "w") + +if simulation_engine_options in ["Hybrid", "NAMD-only"]: + namd_box_0_data_file = open(namd_box_0_data_filename, "w") + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_box_1_data_file = open(namd_box_1_data_filename, "w") e_values_namd_box_1_density_list = [] -if simulation_engine_options in ['Hybrid']: - combined_box_0_filename_only = 'combined_NAMD_GOMC_data_box_0.txt' - combined_box_1_filename_only = 'combined_NAMD_GOMC_data_box_1.txt' - -elif simulation_engine_options in ['GOMC-only']: - combined_box_0_filename_only = 'combined_GOMC_data_box_0.txt' - combined_box_1_filename_only = 'combined_GOMC_data_box_1.txt' -elif simulation_engine_options in ['NAMD-only']: - combined_box_0_filename_only = 'combined_NAMD_data_box_0.txt' - combined_box_1_filename_only = 'combined_NAMD_data_box_1.txt' - -combined_box_0_data_filename = "{}/{}".format(full_path_to_combined_data_folder, - combined_box_0_filename_only) -combined_box_1_data_filename = "{}/{}".format(full_path_to_combined_data_folder, - combined_box_1_filename_only) - -if simulation_engine_options in ['Hybrid']: -# starting point for the GOMC dist dicts for GCMC only - if simulation_type in ['GCMC']: - full_path_dist_files_only_run_0_list = glob.glob('{}/{}/{}/{}'.format(python_file_directory, - path_gomc_runs, - gomc_directory_list[0], - "*dis1a.dat") - ) - - no_dist_files_only_run_0_list = len(full_path_dist_files_only_run_0_list) +if simulation_engine_options in ["Hybrid"]: + combined_box_0_filename_only = "combined_NAMD_GOMC_data_box_0.txt" + combined_box_1_filename_only = "combined_NAMD_GOMC_data_box_1.txt" + +elif simulation_engine_options in ["GOMC-only"]: + combined_box_0_filename_only = "combined_GOMC_data_box_0.txt" + combined_box_1_filename_only = "combined_GOMC_data_box_1.txt" +elif simulation_engine_options in ["NAMD-only"]: + combined_box_0_filename_only = "combined_NAMD_data_box_0.txt" + combined_box_1_filename_only = "combined_NAMD_data_box_1.txt" + +combined_box_0_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, combined_box_0_filename_only +) +combined_box_1_data_filename = "{}/{}".format( + full_path_to_combined_data_folder, combined_box_1_filename_only +) + +if simulation_engine_options in ["Hybrid"]: + # starting point for the GOMC dist dicts for GCMC only + if simulation_type in ["GCMC"]: + full_path_dist_files_only_run_0_list = glob.glob( + "{}/{}/{}/{}".format( + python_file_directory, + path_gomc_runs, + gomc_directory_list[0], + "*dis1a.dat", + ) + ) + + no_dist_files_only_run_0_list = len( + full_path_dist_files_only_run_0_list + ) dict_of_current_dist_dicts = {} for i in range(0, no_dist_files_only_run_0_list): dict_of_current_dist_dicts.update({i + 1: {}}) -def get_namd_log_data(read_namd_box_x_log_file, - namd_box_x_data_file, - run_no, - e_values_namd_box_x_density_list=None, - e_titles_namd_box_x_iteration=None, - e_titles_namd_box_x_density_iteration=None): +def get_namd_log_data( + read_namd_box_x_log_file, + namd_box_x_data_file, + run_no, + e_values_namd_box_x_density_list=None, + e_titles_namd_box_x_iteration=None, + e_titles_namd_box_x_density_iteration=None, +): """ Extracts the NAMD log data from every run (energy and state properties), combining it into a list while adding the system density, @@ -390,10 +536,12 @@ def get_namd_log_data(read_namd_box_x_log_file, not minimization. """ - error_for_bad_namd_input_file_data = "ERROR: This NAMD file output file does not contain all " \ - "the required information. The Energy titles/values " \ - "are missing from the NAMD output/log file(s) in " \ - "run number {}.".format(run_no) + error_for_bad_namd_input_file_data = ( + "ERROR: This NAMD file output file does not contain all " + "the required information. The Energy titles/values " + "are missing from the NAMD output/log file(s) in " + "run number {}.".format(run_no) + ) if e_values_namd_box_x_density_list is None: e_values_namd_box_x_density_list = [] @@ -402,12 +550,20 @@ def get_namd_log_data(read_namd_box_x_log_file, for i, line in enumerate(read_namd_box_x_log_file): split_line = line.split() - if line.startswith('Info:') is True: - if split_line[0] == 'Info:' and len(split_line) >= 6: - if split_line[1] == 'TOTAL' and split_line[2] == 'MASS' and split_line[3] == '=': + if line.startswith("Info:") is True: + if split_line[0] == "Info:" and len(split_line) >= 6: + if ( + split_line[1] == "TOTAL" + and split_line[2] == "MASS" + and split_line[3] == "=" + ): namd_sim_total_mass_box_x_amu = float(split_line[4]) - if split_line[0] == 'Info:' and len(split_line) >= 5: - if split_line[1] == 'ENERGY' and split_line[2] == 'OUTPUT' and split_line[3] == 'STEPS': + if split_line[0] == "Info:" and len(split_line) >= 5: + if ( + split_line[1] == "ENERGY" + and split_line[2] == "OUTPUT" + and split_line[3] == "STEPS" + ): namd_sim_e_output_steps_box_x = float(split_line[4]) # note NAMD energy units in kcal/mol (no modifications required) @@ -418,51 +574,90 @@ def get_namd_log_data(read_namd_box_x_log_file, get_e_namd_box_x_titles = False e_property_values_namd_box_x_list = [] for i, line in enumerate(read_namd_box_x_log_file): - if line.startswith('ETITLE:') is True and get_e_namd_box_x_titles is True: - namd_box_x_data_file.write('%s' % read_namd_box_x_log_file[i]) + if ( + line.startswith("ETITLE:") is True + and get_e_namd_box_x_titles is True + ): + namd_box_x_data_file.write("%s" % read_namd_box_x_log_file[i]) e_titles_namd_box_x_iteration = read_namd_box_x_log_file[i] - e_titles_namd_box_x_iteration = e_titles_namd_box_x_iteration.split() + e_titles_namd_box_x_iteration = ( + e_titles_namd_box_x_iteration.split() + ) e_titles_namd_box_x_iteration = e_titles_namd_box_x_iteration[:] e_titles_namd_box_x_density_iteration = read_namd_box_x_log_file[i] - e_titles_namd_box_x_density_iteration = e_titles_namd_box_x_density_iteration.split() - e_titles_namd_box_x_density_iteration = e_titles_namd_box_x_density_iteration[1:] - e_titles_namd_box_x_density_iteration.append('DENSITY') + e_titles_namd_box_x_density_iteration = ( + e_titles_namd_box_x_density_iteration.split() + ) + e_titles_namd_box_x_density_iteration = ( + e_titles_namd_box_x_density_iteration[1:] + ) + e_titles_namd_box_x_density_iteration.append("DENSITY") if get_e_namd_box_x_titles is True: get_e_namd_box_x_titles = False - if line.startswith('ENERGY:') is True: + if line.startswith("ENERGY:") is True: e_values_namd_box_x_iteration = read_namd_box_x_log_file[i] - e_values_namd_box_x_iteration = e_values_namd_box_x_iteration.split() + e_values_namd_box_x_iteration = ( + e_values_namd_box_x_iteration.split() + ) e_values_namd_box_x_iteration = e_values_namd_box_x_iteration[:] for y in range(0, len(e_titles_namd_box_x_iteration)): - if e_titles_namd_box_x_iteration[y] == 'TS': - e_values_namd_box_x_iteration[y] = (str(int(int(e_values_namd_box_x_iteration[y]) + current_step))) + if e_titles_namd_box_x_iteration[y] == "TS": + e_values_namd_box_x_iteration[y] = str( + int( + int(e_values_namd_box_x_iteration[y]) + current_step + ) + ) array_ts_location = y - elif e_titles_namd_box_x_iteration[y] == 'VOLUME': - e_volume_data_namd_box_x_iteration = float(e_values_namd_box_x_iteration[y]) - e_density_data_namd_box_x_iteration = 1.6605402 * namd_sim_total_mass_box_x_amu \ - / e_volume_data_namd_box_x_iteration + elif e_titles_namd_box_x_iteration[y] == "VOLUME": + e_volume_data_namd_box_x_iteration = float( + e_values_namd_box_x_iteration[y] + ) + e_density_data_namd_box_x_iteration = ( + 1.6605402 + * namd_sim_total_mass_box_x_amu + / e_volume_data_namd_box_x_iteration + ) if int(e_values_namd_box_x_iteration[array_ts_location]) >= 0: - namd_box_x_data_file.write('%s \n' % str('\t '.join(e_values_namd_box_x_iteration))) - e_property_values_namd_box_x_list.append(e_values_namd_box_x_iteration) - - e_values_namd_box_x_density_iteration = e_values_namd_box_x_iteration[1:] - e_values_namd_box_x_density_iteration.append(e_density_data_namd_box_x_iteration) - e_values_namd_box_x_density_list.append(e_values_namd_box_x_density_iteration) - - if (e_titles_namd_box_x_iteration is None or e_titles_namd_box_x_density_iteration is None) and run_no != 0: - warn("enter the e_titles_namd_box_x_iteration variable in the get_namd_log_data, as " - " it is not in the NAMD log file to read.") + namd_box_x_data_file.write( + "%s \n" % str("\t ".join(e_values_namd_box_x_iteration)) + ) + e_property_values_namd_box_x_list.append( + e_values_namd_box_x_iteration + ) + + e_values_namd_box_x_density_iteration = ( + e_values_namd_box_x_iteration[1:] + ) + e_values_namd_box_x_density_iteration.append( + e_density_data_namd_box_x_iteration + ) + e_values_namd_box_x_density_list.append( + e_values_namd_box_x_density_iteration + ) + + if ( + e_titles_namd_box_x_iteration is None + or e_titles_namd_box_x_density_iteration is None + ) and run_no != 0: + warn( + "enter the e_titles_namd_box_x_iteration variable in the get_namd_log_data, as " + " it is not in the NAMD log file to read." + ) else: e_titles_namd_box_x_iteration = e_titles_namd_box_x_iteration - e_titles_namd_box_x_density_iteration = e_titles_namd_box_x_density_iteration + e_titles_namd_box_x_density_iteration = ( + e_titles_namd_box_x_density_iteration + ) # add a pound symbol (#) before some of the titles - if str(e_titles_namd_box_x_density_iteration[0][0]) != '#': - e_titles_namd_box_x_density_iteration[0] = '#' + str(e_titles_namd_box_x_density_iteration[0]) + if str(e_titles_namd_box_x_density_iteration[0][0]) != "#": + e_titles_namd_box_x_density_iteration[0] = "#" + str( + e_titles_namd_box_x_density_iteration[0] + ) try: isinstance(e_titles_namd_box_x_iteration, list) @@ -473,14 +668,16 @@ def get_namd_log_data(read_namd_box_x_log_file, except: raise ValueError(error_for_bad_namd_input_file_data) - return e_titles_namd_box_x_iteration, e_titles_namd_box_x_density_iteration, \ - e_values_namd_box_x_iteration, \ - e_values_namd_box_x_density_list, e_property_values_namd_box_x_list + return ( + e_titles_namd_box_x_iteration, + e_titles_namd_box_x_density_iteration, + e_values_namd_box_x_iteration, + e_values_namd_box_x_density_list, + e_property_values_namd_box_x_list, + ) -def get_gomc_hist_data(read_gomc_box_0_hist_file, - gomc_box_0_hist_file, - run_no): +def get_gomc_hist_data(read_gomc_box_0_hist_file, gomc_box_0_hist_file, run_no): """ This reads in the current simulation histogram (hist) data and appends it add to a histrogram file, which was created @@ -504,9 +701,9 @@ def get_gomc_hist_data(read_gomc_box_0_hist_file, for i, line in enumerate(read_gomc_box_0_hist_file): # if the first iteration for the GOMC hist file print the 1st line if run_no == 1 and i == 0: - gomc_box_0_hist_file.write('%s' % read_gomc_box_0_hist_file[i]) + gomc_box_0_hist_file.write("%s" % read_gomc_box_0_hist_file[i]) elif run_no >= 1 and i >= 1: - gomc_box_0_hist_file.write('%s' % read_gomc_box_0_hist_file[i]) + gomc_box_0_hist_file.write("%s" % read_gomc_box_0_hist_file[i]) def get_gomc_dist_data(read_gomc_box_0_dist_file, current_dist_dict): @@ -548,9 +745,14 @@ def get_gomc_dist_data(read_gomc_box_0_dist_file, current_dist_dict): return current_dist_dict -def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, box_no, - e_stat_values_gomc_box_x_list=None, - e_stat_values_gomc_kcal_per_mol_box_x_list=None): +def get_gomc_log_data( + read_gomc_box_x_log_file, + gomc_box_x_data_file, + run_no, + box_no, + e_stat_values_gomc_box_x_list=None, + e_stat_values_gomc_kcal_per_mol_box_x_list=None, +): """ Extracts the GOMC log data from every run (energy and state properties), combining it into a list while adding the system density, @@ -604,10 +806,12 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo The timesteps are rescaled so that the NAMD and GOMC data are added properly in order. """ - error_for_bad_gomc_input_file_data = "ERROR: This GOMC file output file does not contain all " \ - "the required information. The Energy and Stat titles/values " \ - "are missing from the GOMC output/log file in "\ - "run number {} in box {}.".format(run_no, box_no) + error_for_bad_gomc_input_file_data = ( + "ERROR: This GOMC file output file does not contain all " + "the required information. The Energy and Stat titles/values " + "are missing from the GOMC output/log file in " + "run number {} in box {}.".format(run_no, box_no) + ) if e_stat_values_gomc_box_x_list is None: e_stat_values_gomc_box_x_list = [] @@ -619,8 +823,8 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo else: e_stat_values_gomc_kcal_per_mol_box_x_list - energy_string_label = 'ENER_{}:'.format(str(box_no)) - stat_string_label = 'STAT_{}:'.format((box_no)) + energy_string_label = "ENER_{}:".format(str(box_no)) + stat_string_label = "STAT_{}:".format((box_no)) get_e_gomc_box_x_titles = True get_stat_box_x_titles = True @@ -628,11 +832,16 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo stat_values_box_x_list = [] for i, line in enumerate(read_gomc_box_x_log_file): - if line.startswith('ETITLE:') is True and get_e_gomc_box_x_titles is True: + if ( + line.startswith("ETITLE:") is True + and get_e_gomc_box_x_titles is True + ): if run_no == 1: - gomc_box_x_data_file.write('%s' % read_gomc_box_x_log_file[i]) + gomc_box_x_data_file.write("%s" % read_gomc_box_x_log_file[i]) e_titles_gomc_box_x_iteration = read_gomc_box_x_log_file[i] - e_titles_gomc_box_x_iteration = e_titles_gomc_box_x_iteration.split() + e_titles_gomc_box_x_iteration = ( + e_titles_gomc_box_x_iteration.split() + ) e_titles_gomc_box_x_iteration = e_titles_gomc_box_x_iteration[:] if get_e_gomc_box_x_titles is True: get_e_gomc_box_x_titles = False @@ -641,29 +850,55 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo e_values_gomc_box_x_iteration_list = [] e_values_kcal_per_mol_gomc_box_x_iteration_list = [] e_values_gomc_box_x_iteration = read_gomc_box_x_log_file[i] - e_values_gomc_box_x_iteration = e_values_gomc_box_x_iteration.split() + e_values_gomc_box_x_iteration = ( + e_values_gomc_box_x_iteration.split() + ) for j in range(0, len(e_values_gomc_box_x_iteration)): - if e_titles_gomc_box_x_iteration[j] == 'ETITLE:': - e_values_gomc_box_x_iteration_list.append(e_values_gomc_box_x_iteration[j]) - e_values_kcal_per_mol_gomc_box_x_iteration_list.append(e_values_gomc_box_x_iteration[j]) - elif e_titles_gomc_box_x_iteration[j] == 'STEP': - e_values_gomc_box_x_iteration_list.append(str(int(int(e_values_gomc_box_x_iteration[j]) - + current_step))) - e_values_kcal_per_mol_gomc_box_x_iteration_list.append(str(int(int(e_values_gomc_box_x_iteration[j]) - + current_step))) + if e_titles_gomc_box_x_iteration[j] == "ETITLE:": + e_values_gomc_box_x_iteration_list.append( + e_values_gomc_box_x_iteration[j] + ) + e_values_kcal_per_mol_gomc_box_x_iteration_list.append( + e_values_gomc_box_x_iteration[j] + ) + elif e_titles_gomc_box_x_iteration[j] == "STEP": + e_values_gomc_box_x_iteration_list.append( + str( + int( + int(e_values_gomc_box_x_iteration[j]) + + current_step + ) + ) + ) + e_values_kcal_per_mol_gomc_box_x_iteration_list.append( + str( + int( + int(e_values_gomc_box_x_iteration[j]) + + current_step + ) + ) + ) else: - e_values_gomc_box_x_iteration_list.append(str(float(e_values_gomc_box_x_iteration[j]) * 1)) + e_values_gomc_box_x_iteration_list.append( + str(float(e_values_gomc_box_x_iteration[j]) * 1) + ) e_values_kcal_per_mol_gomc_box_x_iteration_list.append( - str(float(e_values_gomc_box_x_iteration[j]) * K_to_kcal_mol)) + str( + float(e_values_gomc_box_x_iteration[j]) + * K_to_kcal_mol + ) + ) - gomc_box_x_data_file.write('%s \n' % str('\t '.join(e_values_gomc_box_x_iteration_list))) + gomc_box_x_data_file.write( + "%s \n" % str("\t ".join(e_values_gomc_box_x_iteration_list)) + ) # GOMC_box_X_Energies_Stat_file - if line.startswith('STITLE:') is True and get_stat_box_x_titles is True: + if line.startswith("STITLE:") is True and get_stat_box_x_titles is True: if run_no == 1: - gomc_box_x_data_file.write('%s' % read_gomc_box_x_log_file[i]) + gomc_box_x_data_file.write("%s" % read_gomc_box_x_log_file[i]) stat_titles_box_x_iteration = read_gomc_box_x_log_file[i] stat_titles_box_x_iteration = stat_titles_box_x_iteration.split() stat_titles_box_x_iteration = stat_titles_box_x_iteration[:] @@ -676,32 +911,59 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo stat_values_box_x_iteration = stat_values_box_x_iteration.split() for j in range(0, len(stat_values_box_x_iteration)): - if stat_titles_box_x_iteration[j] == 'STITLE:': - stat_values_box_x_iteration_list.append(stat_values_box_x_iteration[j]) - elif stat_titles_box_x_iteration[j] == 'STEP': - stat_values_box_x_iteration_list.append(str(int(int(stat_values_box_x_iteration[j]) - + current_step))) + if stat_titles_box_x_iteration[j] == "STITLE:": + stat_values_box_x_iteration_list.append( + stat_values_box_x_iteration[j] + ) + elif stat_titles_box_x_iteration[j] == "STEP": + stat_values_box_x_iteration_list.append( + str( + int( + int(stat_values_box_x_iteration[j]) + + current_step + ) + ) + ) # stat_values_box_x_iteration_list.append(int(int(stat_values_box_x_iteration[j]) \ # + current_step)) else: - stat_values_box_x_iteration_list.append(str(float(stat_values_box_x_iteration[j]))) + stat_values_box_x_iteration_list.append( + str(float(stat_values_box_x_iteration[j])) + ) - gomc_box_x_data_file.write('%s \n' % str('\t '.join(stat_values_box_x_iteration_list))) + gomc_box_x_data_file.write( + "%s \n" % str("\t ".join(stat_values_box_x_iteration_list)) + ) stat_values_box_x_list.append(stat_values_box_x_iteration_list) # combine the energy and stat data (ENER_X and STAT_X) into 1 line and remove ENER_X and STAT_X) labels - e_stat_values_gomc_box_x_iteration_list = e_values_gomc_box_x_iteration_list[1:] - e_stat_values_gomc_kcal_per_mol_box_x_iteration_list = e_values_kcal_per_mol_gomc_box_x_iteration_list[1:] + e_stat_values_gomc_box_x_iteration_list = ( + e_values_gomc_box_x_iteration_list[1:] + ) + e_stat_values_gomc_kcal_per_mol_box_x_iteration_list = ( + e_values_kcal_per_mol_gomc_box_x_iteration_list[1:] + ) for z in range(2, len(stat_values_box_x_iteration_list)): - e_stat_values_gomc_box_x_iteration_list.append(stat_values_box_x_iteration_list[z]) - if stat_titles_box_x_iteration[z] == 'TOT_DENSITY': + e_stat_values_gomc_box_x_iteration_list.append( + stat_values_box_x_iteration_list[z] + ) + if stat_titles_box_x_iteration[z] == "TOT_DENSITY": e_stat_values_gomc_kcal_per_mol_box_x_iteration_list.append( - str(float(stat_values_box_x_iteration_list[z]) / 10 ** 3)) + str( + float(stat_values_box_x_iteration_list[z]) / 10**3 + ) + ) else: - e_stat_values_gomc_kcal_per_mol_box_x_iteration_list.append(stat_values_box_x_iteration_list[z]) + e_stat_values_gomc_kcal_per_mol_box_x_iteration_list.append( + stat_values_box_x_iteration_list[z] + ) - e_stat_values_gomc_box_x_list.append(e_stat_values_gomc_box_x_iteration_list) - e_stat_values_gomc_kcal_per_mol_box_x_list.append(e_stat_values_gomc_kcal_per_mol_box_x_iteration_list) + e_stat_values_gomc_box_x_list.append( + e_stat_values_gomc_box_x_iteration_list + ) + e_stat_values_gomc_kcal_per_mol_box_x_list.append( + e_stat_values_gomc_kcal_per_mol_box_x_iteration_list + ) # combine the energy and stat titles (ENER_X and STAT_X) into 1 line and remove ENER_X and STAT_X) labels try: @@ -709,25 +971,40 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo except: raise ValueError(error_for_bad_gomc_input_file_data) try: - e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list = e_titles_gomc_box_x_iteration[1:] + e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list = ( + e_titles_gomc_box_x_iteration[1:] + ) except: raise ValueError(error_for_bad_gomc_input_file_data) try: - isinstance(stat_titles_box_x_iteration,list) + isinstance(stat_titles_box_x_iteration, list) except: raise ValueError(error_for_bad_gomc_input_file_data) for z in range(2, len(stat_titles_box_x_iteration)): - e_stat_titles_gomc_box_x_iter_list.append(stat_titles_box_x_iteration[z]) - e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list.append(stat_titles_box_x_iteration[z]) + e_stat_titles_gomc_box_x_iter_list.append( + stat_titles_box_x_iteration[z] + ) + e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list.append( + stat_titles_box_x_iteration[z] + ) # add a pound symbol (#) before some of the titles - if str(e_stat_titles_gomc_box_x_iter_list[0][0]) != '#': - e_stat_titles_gomc_box_x_iter_list[0] = '#' + str(e_stat_titles_gomc_box_x_iter_list[0]) - - if str(e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[0][0]) != '#': - e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[0] = '#{}'.format(str(e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[0])) + if str(e_stat_titles_gomc_box_x_iter_list[0][0]) != "#": + e_stat_titles_gomc_box_x_iter_list[0] = "#" + str( + e_stat_titles_gomc_box_x_iter_list[0] + ) + + if ( + str(e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[0][0]) + != "#" + ): + e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[ + 0 + ] = "#{}".format( + str(e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list[0]) + ) try: isinstance(e_titles_gomc_box_x_iteration, list) @@ -739,13 +1016,14 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo except: raise ValueError(error_for_bad_gomc_input_file_data) - - return e_titles_gomc_box_x_iteration, \ - e_stat_titles_gomc_box_x_iter_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list, \ - e_stat_values_gomc_box_x_iteration_list, \ - e_stat_values_gomc_box_x_list, \ - e_stat_values_gomc_kcal_per_mol_box_x_list + return ( + e_titles_gomc_box_x_iteration, + e_stat_titles_gomc_box_x_iter_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_x_iter_list, + e_stat_values_gomc_box_x_iteration_list, + e_stat_values_gomc_box_x_list, + e_stat_values_gomc_kcal_per_mol_box_x_list, + ) # **************************************** # **************************************** @@ -754,12 +1032,14 @@ def get_gomc_log_data(read_gomc_box_x_log_file, gomc_box_x_data_file, run_no, bo # **************************************** -def combine_dcd_files(engine_name, - combine_dcd_files_cycle_freq, - engine_dcd_file_name, - engine_directory_list, - path_engine_runs, - box_no=0): +def combine_dcd_files( + engine_name, + combine_dcd_files_cycle_freq, + engine_dcd_file_name, + engine_directory_list, + path_engine_runs, + box_no=0, +): """ Extracts the GOMC or NAMD dcd data from every run, combining it into one dcd file. @@ -791,374 +1071,517 @@ def combine_dcd_files(engine_name, # combine the Engine dcd files (start) # **************************************************************** # make all the dcd filenames (with paths) a list in string form for the dcdcat - print('INFO: Starting the dcd combining for box {} the {} simulation.'.format(str(box_no), str(path_engine_runs))) + print( + "INFO: Starting the dcd combining for box {} the {} simulation.".format( + str(box_no), str(path_engine_runs) + ) + ) # need to iterate thru the dcd files if combining greater than 1000 max_no_engine_catdcd_per_run = 1000 - engine_directory_list_with_freq = engine_directory_list[:: combine_dcd_files_cycle_freq] + engine_directory_list_with_freq = engine_directory_list[ + ::combine_dcd_files_cycle_freq + ] if len(engine_directory_list_with_freq) == 0: engine_dcd_cat_iterations = int(0) else: - engine_dcd_cat_iterations = int(len(engine_directory_list_with_freq) / max_no_engine_catdcd_per_run + 1) - - engine_dcd_iter_even_name_str = 'iter_0_box_{}_{}_dcd_files.dcd'.format(str(box_no), str(engine_name)) - engine_dcd_iter_odd_name_str = 'iter_1_box_{}_{}_dcd_files.dcd'.format(str(box_no), str(engine_name)) - engine_dcd_combined_for_mod_name_str = 'combined_box_for_mod_{}_{}_dcd_files.dcd'.format(str(box_no), - str(engine_name)) - engine_dcd_combined_name_str = 'combined_box_{}_{}_dcd_files.dcd'.format(str(box_no), str(engine_name)) + engine_dcd_cat_iterations = int( + len(engine_directory_list_with_freq) / max_no_engine_catdcd_per_run + + 1 + ) + + engine_dcd_iter_even_name_str = "iter_0_box_{}_{}_dcd_files.dcd".format( + str(box_no), str(engine_name) + ) + engine_dcd_iter_odd_name_str = "iter_1_box_{}_{}_dcd_files.dcd".format( + str(box_no), str(engine_name) + ) + engine_dcd_combined_for_mod_name_str = ( + "combined_box_for_mod_{}_{}_dcd_files.dcd".format( + str(box_no), str(engine_name) + ) + ) + engine_dcd_combined_name_str = "combined_box_{}_{}_dcd_files.dcd".format( + str(box_no), str(engine_name) + ) nested_list_engine_dcd_filenames = [] for q in range(0, engine_dcd_cat_iterations): - dcd_cat_engine_box_x_filename_str = '' + dcd_cat_engine_box_x_filename_str = "" if q == 0: - dcd_starting_cat_engine_box_x_filename_str = '' + dcd_starting_cat_engine_box_x_filename_str = "" elif q % 2 == 0 and q != 0: - dcd_starting_cat_engine_box_x_filename_str = "{}/{}".format(str(path_combined_data_folder), - engine_dcd_iter_odd_name_str) + dcd_starting_cat_engine_box_x_filename_str = "{}/{}".format( + str(path_combined_data_folder), engine_dcd_iter_odd_name_str + ) elif q % 2 == 1: - dcd_starting_cat_engine_box_x_filename_str = "{}/{}".format(str(path_combined_data_folder), - engine_dcd_iter_even_name_str) + dcd_starting_cat_engine_box_x_filename_str = "{}/{}".format( + str(path_combined_data_folder), engine_dcd_iter_even_name_str + ) start_engine_file_no = q * max_no_engine_catdcd_per_run - if (q + 1) * max_no_engine_catdcd_per_run >= len(engine_directory_list_with_freq): + if (q + 1) * max_no_engine_catdcd_per_run >= len( + engine_directory_list_with_freq + ): end_engine_file_no = len(engine_directory_list_with_freq) else: end_engine_file_no = (q + 1) * max_no_engine_catdcd_per_run - for dcd_cat_Engine_box_X_file_i in range(start_engine_file_no, end_engine_file_no, 1): - dcd_cat_engine_box_x_filename_str += ' {}/{}/{}'.format(path_engine_runs, - str(engine_directory_list_with_freq[dcd_cat_Engine_box_X_file_i]), - str(engine_dcd_file_name)) - nested_list_engine_dcd_filenames.append(dcd_cat_engine_box_x_filename_str) + for dcd_cat_Engine_box_X_file_i in range( + start_engine_file_no, end_engine_file_no, 1 + ): + dcd_cat_engine_box_x_filename_str += " {}/{}/{}".format( + path_engine_runs, + str( + engine_directory_list_with_freq[dcd_cat_Engine_box_X_file_i] + ), + str(engine_dcd_file_name), + ) + nested_list_engine_dcd_filenames.append( + dcd_cat_engine_box_x_filename_str + ) if q == (engine_dcd_cat_iterations - 1): # need to only read the last frame in each cycle as GOMC prints the an intial (step 1) and last frame - engine_final_iter_dcdcat_command = "{} -o {}/{} {} {}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_combined_for_mod_name_str, - dcd_starting_cat_engine_box_x_filename_str, - nested_list_engine_dcd_filenames[q] - ) - - print('engine_final_iter_dcdcat_command = {}'.format(str(engine_final_iter_dcdcat_command))) - exec_engine_final_iter_dcdcat_command = subprocess.Popen(engine_final_iter_dcdcat_command, - shell=True, stderr=subprocess.STDOUT) - os.waitpid(exec_engine_final_iter_dcdcat_command.pid, os.WSTOPPED) # pauses python until GOMC sim done + engine_final_iter_dcdcat_command = "{} -o {}/{} {} {}" "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_combined_for_mod_name_str, + dcd_starting_cat_engine_box_x_filename_str, + nested_list_engine_dcd_filenames[q], + ) + + print( + "engine_final_iter_dcdcat_command = {}".format( + str(engine_final_iter_dcdcat_command) + ) + ) + exec_engine_final_iter_dcdcat_command = subprocess.Popen( + engine_final_iter_dcdcat_command, + shell=True, + stderr=subprocess.STDOUT, + ) + os.waitpid( + exec_engine_final_iter_dcdcat_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done else: if q == 0: - run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_iter_even_name_str, - dcd_starting_cat_engine_box_x_filename_str, - nested_list_engine_dcd_filenames[q] - ) - + run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_iter_even_name_str, + dcd_starting_cat_engine_box_x_filename_str, + nested_list_engine_dcd_filenames[q], + ) elif q % 2 == 0 and q != 0: - run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_iter_even_name_str, - dcd_starting_cat_engine_box_x_filename_str, - nested_list_engine_dcd_filenames[q] - ) + run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_iter_even_name_str, + dcd_starting_cat_engine_box_x_filename_str, + nested_list_engine_dcd_filenames[q], + ) elif q % 2 == 1: - run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_iter_odd_name_str, - dcd_starting_cat_engine_box_x_filename_str, - nested_list_engine_dcd_filenames[q] - ) - - exec_engine_dcdcat_box_x_command = subprocess.Popen(run_engine_dcdcat_box_x_command, - shell=True, stderr=subprocess.STDOUT) - - os.waitpid(exec_engine_dcdcat_box_x_command.pid, os.WSTOPPED) # pauses python until GOMC sim done + run_engine_dcdcat_box_x_command = "{} -o {}/{} {} {}" "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_iter_odd_name_str, + dcd_starting_cat_engine_box_x_filename_str, + nested_list_engine_dcd_filenames[q], + ) + + exec_engine_dcdcat_box_x_command = subprocess.Popen( + run_engine_dcdcat_box_x_command, + shell=True, + stderr=subprocess.STDOUT, + ) + + os.waitpid( + exec_engine_dcdcat_box_x_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done # the combined final Engine dcd file - if engine_name == 'GOMC': + if engine_name == "GOMC": if get_initial_gomc_dcd == True: # take only the last frame from GOMC. Now GOMC only outputs the last frame so only need (i.e., -stride 1) - initial_engine_dcd_combined_for_mod_name_str = 'initial_box_for_mod_{}_{}_dcd_files.dcd' \ - ''.format(str(box_no), - str(engine_name) - ) - mod_engine_dcd_combined_for_mod_name_str = 'mod_box_for_mod_{}_{}_dcd_files.dcd' \ - ''.format(str(box_no), - str(engine_name) - ) - - run_initial_engine_dcdcat_box_x_command = "{} -o {}/{} -first 1 -last 1 {}/{}/{}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - initial_engine_dcd_combined_for_mod_name_str, - str(engine_name), - str(engine_directory_list[0]), - str('Output_data_BOX_0.dcd') - ) - - print("run_initial_engine_dcdcat_box_x_command = " +str(run_initial_engine_dcdcat_box_x_command )) - print("nested_list_engine_dcd_filenames " + str(nested_list_engine_dcd_filenames)) + initial_engine_dcd_combined_for_mod_name_str = ( + "initial_box_for_mod_{}_{}_dcd_files.dcd" + "".format(str(box_no), str(engine_name)) + ) + mod_engine_dcd_combined_for_mod_name_str = ( + "mod_box_for_mod_{}_{}_dcd_files.dcd" + "".format(str(box_no), str(engine_name)) + ) + + run_initial_engine_dcdcat_box_x_command = ( + "{} -o {}/{} -first 1 -last 1 {}/{}/{}" + "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + initial_engine_dcd_combined_for_mod_name_str, + str(engine_name), + str(engine_directory_list[0]), + str("Output_data_BOX_0.dcd"), + ) + ) + + print( + "run_initial_engine_dcdcat_box_x_command = " + + str(run_initial_engine_dcdcat_box_x_command) + ) + print( + "nested_list_engine_dcd_filenames " + + str(nested_list_engine_dcd_filenames) + ) print("engine_directory_list = " + str(engine_directory_list)) - exec_run_initial_engine_dcdcat_box_x_command = subprocess.Popen(run_initial_engine_dcdcat_box_x_command, - shell=True, - stderr=subprocess.STDOUT) - - os.waitpid(exec_run_initial_engine_dcdcat_box_x_command.pid, os.WSTOPPED) - - run_mod_engine_dcdcat_box_x_command = "{} -o {}/{} -first 2 -stride 2 {}/{}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - mod_engine_dcd_combined_for_mod_name_str, - str(path_combined_data_folder), - engine_dcd_combined_for_mod_name_str - ) - - exec_run_mod_engine_dcdcat_box_x_command = subprocess.Popen(run_mod_engine_dcdcat_box_x_command, - shell=True, - stderr=subprocess.STDOUT) - - os.waitpid(exec_run_mod_engine_dcdcat_box_x_command.pid, os.WSTOPPED) - - run_engine_dcdcat_box_x_command = "{} -o {}/{} {}/{} {}/{}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_combined_name_str, - str(path_combined_data_folder), - str(initial_engine_dcd_combined_for_mod_name_str), - str(path_combined_data_folder), - str(mod_engine_dcd_combined_for_mod_name_str) - ) + exec_run_initial_engine_dcdcat_box_x_command = subprocess.Popen( + run_initial_engine_dcdcat_box_x_command, + shell=True, + stderr=subprocess.STDOUT, + ) + + os.waitpid( + exec_run_initial_engine_dcdcat_box_x_command.pid, os.WSTOPPED + ) + + run_mod_engine_dcdcat_box_x_command = ( + "{} -o {}/{} -first 2 -stride 2 {}/{}" + "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + mod_engine_dcd_combined_for_mod_name_str, + str(path_combined_data_folder), + engine_dcd_combined_for_mod_name_str, + ) + ) + + exec_run_mod_engine_dcdcat_box_x_command = subprocess.Popen( + run_mod_engine_dcdcat_box_x_command, + shell=True, + stderr=subprocess.STDOUT, + ) + + os.waitpid( + exec_run_mod_engine_dcdcat_box_x_command.pid, os.WSTOPPED + ) + + run_engine_dcdcat_box_x_command = ( + "{} -o {}/{} {}/{} {}/{}" + "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_combined_name_str, + str(path_combined_data_folder), + str(initial_engine_dcd_combined_for_mod_name_str), + str(path_combined_data_folder), + str(mod_engine_dcd_combined_for_mod_name_str), + ) + ) else: # take only the last frame from GOMC. Now GOMC only outputs the last frame so only need (i.e., -stride 1) - run_engine_dcdcat_box_x_command = "{} -o {}/{} -first 2 -stride 2 {}/{}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_combined_name_str, - str(path_combined_data_folder), - engine_dcd_combined_for_mod_name_str - ) + run_engine_dcdcat_box_x_command = ( + "{} -o {}/{} -first 2 -stride 2 {}/{}" + "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_combined_name_str, + str(path_combined_data_folder), + engine_dcd_combined_for_mod_name_str, + ) + ) # take only the last frame from NAMD. NAMD only outputs the last frame so only need (i.e., -stride 1) - elif engine_name == 'NAMD': - run_engine_dcdcat_box_x_command = "{} -o {}/{} -stride 1 {}/{}" \ - "".format(str(rel_path_to_combine_binary_catdcd), - str(path_combined_data_folder), - engine_dcd_combined_name_str, - str(path_combined_data_folder), - engine_dcd_combined_for_mod_name_str - ) + elif engine_name == "NAMD": + run_engine_dcdcat_box_x_command = ( + "{} -o {}/{} -stride 1 {}/{}" + "".format( + str(rel_path_to_combine_binary_catdcd), + str(path_combined_data_folder), + engine_dcd_combined_name_str, + str(path_combined_data_folder), + engine_dcd_combined_for_mod_name_str, + ) + ) else: - warn('the variable engine_name in the function combine_dcd_files can only be a string' - ' NAMD or GOMC.') + warn( + "the variable engine_name in the function combine_dcd_files can only be a string" + " NAMD or GOMC." + ) - exec_run_engine_dcdcat_box_x_command = subprocess.Popen(run_engine_dcdcat_box_x_command, - shell=True, - stderr=subprocess.STDOUT) + exec_run_engine_dcdcat_box_x_command = subprocess.Popen( + run_engine_dcdcat_box_x_command, shell=True, stderr=subprocess.STDOUT + ) os.waitpid(exec_run_engine_dcdcat_box_x_command.pid, os.WSTOPPED) - run_gomc_rm_gomc_final_iter_dcdcat_command = "rm {}/{}".format(str(path_combined_data_folder), - engine_dcd_combined_for_mod_name_str) + run_gomc_rm_gomc_final_iter_dcdcat_command = "rm {}/{}".format( + str(path_combined_data_folder), engine_dcd_combined_for_mod_name_str + ) - exec_gomc_final_iter_dcdcat_command = subprocess.Popen(run_gomc_rm_gomc_final_iter_dcdcat_command, - shell=True, - stderr=subprocess.STDOUT) + exec_gomc_final_iter_dcdcat_command = subprocess.Popen( + run_gomc_rm_gomc_final_iter_dcdcat_command, + shell=True, + stderr=subprocess.STDOUT, + ) os.waitpid(exec_gomc_final_iter_dcdcat_command.pid, os.WSTOPPED) # remove the even iteration Engine dcd file - run_engine_rm_dcd_iter_even_box_x_command = "rm {}/{}".format(str(path_combined_data_folder), - engine_dcd_iter_even_name_str) + run_engine_rm_dcd_iter_even_box_x_command = "rm {}/{}".format( + str(path_combined_data_folder), engine_dcd_iter_even_name_str + ) - exec_engine_rm_dcd_iter_even_box_x_command = subprocess.Popen(run_engine_rm_dcd_iter_even_box_x_command, - shell=True, - stderr=subprocess.STDOUT) + exec_engine_rm_dcd_iter_even_box_x_command = subprocess.Popen( + run_engine_rm_dcd_iter_even_box_x_command, + shell=True, + stderr=subprocess.STDOUT, + ) - os.waitpid(exec_engine_rm_dcd_iter_even_box_x_command.pid, os.WSTOPPED) # pauses python until GOMC sim done + os.waitpid( + exec_engine_rm_dcd_iter_even_box_x_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done # remove the odd iteration Engine dcd file - run_engine_rm_dcd_iter_odd_box_x_command = "rm {}/{}".format(str(path_combined_data_folder), - engine_dcd_iter_odd_name_str) - - exec_engine_rm_dcd_iter_odd_box_x_command = subprocess.Popen(run_engine_rm_dcd_iter_odd_box_x_command, - shell=True, - stderr=subprocess.STDOUT) - - os.waitpid(exec_engine_rm_dcd_iter_odd_box_x_command.pid, os.WSTOPPED) # pauses python until GOMC sim done - - run_cp_gomc_box_x_psf_command = "cp {}/{}/{} {}/{}".format(str(path_gomc_runs), - str(gomc_directory_list[0]), - "Output_data_merged.psf", - str(path_combined_data_folder), - "Output_data_merged.psf" - ) - - - exec_cp_gomc_box_x_psf_command = subprocess.Popen(run_cp_gomc_box_x_psf_command, - shell=True, stderr=subprocess.STDOUT) - os.waitpid(exec_cp_gomc_box_x_psf_command.pid, os.WSTOPPED) # pauses python until GOMC sim done + run_engine_rm_dcd_iter_odd_box_x_command = "rm {}/{}".format( + str(path_combined_data_folder), engine_dcd_iter_odd_name_str + ) + + exec_engine_rm_dcd_iter_odd_box_x_command = subprocess.Popen( + run_engine_rm_dcd_iter_odd_box_x_command, + shell=True, + stderr=subprocess.STDOUT, + ) + + os.waitpid( + exec_engine_rm_dcd_iter_odd_box_x_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done + + run_cp_gomc_box_x_psf_command = "cp {}/{}/{} {}/{}".format( + str(path_gomc_runs), + str(gomc_directory_list[0]), + "Output_data_merged.psf", + str(path_combined_data_folder), + "Output_data_merged.psf", + ) + + exec_cp_gomc_box_x_psf_command = subprocess.Popen( + run_cp_gomc_box_x_psf_command, shell=True, stderr=subprocess.STDOUT + ) + os.waitpid( + exec_cp_gomc_box_x_psf_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done # remove the initial and mod (ever run not the start of run dcd) files - if engine_name == 'GOMC': + if engine_name == "GOMC": if get_initial_gomc_dcd == True: - run_initial_engine_rm_dcd = "rm {}/{}".format(str(path_combined_data_folder), - str(initial_engine_dcd_combined_for_mod_name_str) - ) - exec_initial_engine_rm_dcd_command = subprocess.Popen(run_initial_engine_rm_dcd, - shell=True, - stderr=subprocess.STDOUT - ) - os.waitpid(exec_initial_engine_rm_dcd_command.pid, os.WSTOPPED) # pauses python until GOMC sim done - - run_mod_engine_rm_dcd = "rm {}/{}".format(str(path_combined_data_folder), - str(mod_engine_dcd_combined_for_mod_name_str) - ) - exec_mod_engine_rm_dcd_command = subprocess.Popen(run_mod_engine_rm_dcd, - shell=True, - stderr=subprocess.STDOUT - ) - os.waitpid(exec_mod_engine_rm_dcd_command.pid, os.WSTOPPED) # pauses python until GOMC sim done - - print('INFO: Finished the dcd combining for box {} the {} simulation '.format(str(box_no), str(path_engine_runs))) - - -if simulation_engine_options == 'Hybrid': + run_initial_engine_rm_dcd = "rm {}/{}".format( + str(path_combined_data_folder), + str(initial_engine_dcd_combined_for_mod_name_str), + ) + exec_initial_engine_rm_dcd_command = subprocess.Popen( + run_initial_engine_rm_dcd, shell=True, stderr=subprocess.STDOUT + ) + os.waitpid( + exec_initial_engine_rm_dcd_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done + + run_mod_engine_rm_dcd = "rm {}/{}".format( + str(path_combined_data_folder), + str(mod_engine_dcd_combined_for_mod_name_str), + ) + exec_mod_engine_rm_dcd_command = subprocess.Popen( + run_mod_engine_rm_dcd, shell=True, stderr=subprocess.STDOUT + ) + os.waitpid( + exec_mod_engine_rm_dcd_command.pid, os.WSTOPPED + ) # pauses python until GOMC sim done + + print( + "INFO: Finished the dcd combining for box {} the {} simulation ".format( + str(box_no), str(path_engine_runs) + ) + ) + + +if simulation_engine_options == "Hybrid": # **************************************************************** # combine the NAMD dcd files (start) # **************************************************************** if combine_namd_dcd_file is True: - if simulation_type in ['NVT', 'NPT']: - namd_name = 'NAMD' + if simulation_type in ["NVT", "NPT"]: + namd_name = "NAMD" namd_directory_list = namd_directory_a_list - namd_directory_dcd_filnames = 'namdOut.dcd' + namd_directory_dcd_filnames = "namdOut.dcd" namd_path_engine_runs = path_namd_runs namd_box_no = 0 - combine_dcd_files(namd_name, combine_dcd_files_cycle_freq, - namd_directory_dcd_filnames, namd_directory_list, - namd_path_engine_runs, - namd_box_no) + combine_dcd_files( + namd_name, + combine_dcd_files_cycle_freq, + namd_directory_dcd_filnames, + namd_directory_list, + namd_path_engine_runs, + namd_box_no, + ) else: - warn('WARNING: The NAMD dcd files can not be combined as they have different number or atoms ' - 'in the GCMC and GEMC simulations. ') + warn( + "WARNING: The NAMD dcd files can not be combined as they have different number or atoms " + "in the GCMC and GEMC simulations. " + ) # make all the box 0 and 1 dcd filenames (with paths) a list in string form for the dcdcat GOMC program' if combine_gomc_dcd_file is True: - gomc_name = 'GOMC' + gomc_name = "GOMC" gomc_directory_list = gomc_directory_list - gomc_directory_dcd_filnames = 'Output_data_BOX_0.dcd' + gomc_directory_dcd_filnames = "Output_data_BOX_0.dcd" gomc_path_engine_runs = path_gomc_runs gomc_box_no = 0 - combine_dcd_files(gomc_name, combine_dcd_files_cycle_freq, - gomc_directory_dcd_filnames, gomc_directory_list, - gomc_path_engine_runs, - gomc_box_no) + combine_dcd_files( + gomc_name, + combine_dcd_files_cycle_freq, + gomc_directory_dcd_filnames, + gomc_directory_list, + gomc_path_engine_runs, + gomc_box_no, + ) if simulation_type in ["GEMC"]: - gomc_name = 'GOMC' + gomc_name = "GOMC" gomc_directory_list = gomc_directory_list - gomc_directory_dcd_filnames = 'Output_data_BOX_1.dcd' + gomc_directory_dcd_filnames = "Output_data_BOX_1.dcd" gomc_path_engine_runs = path_gomc_runs gomc_box_no = 1 - combine_dcd_files(gomc_name, combine_dcd_files_cycle_freq, - gomc_directory_dcd_filnames, gomc_directory_list, - gomc_path_engine_runs, - gomc_box_no) - - print("INFO: Started all data combined from the log files for the NAMD-GOMC hybrid simulations " - "and exported into muliple files and types") + combine_dcd_files( + gomc_name, + combine_dcd_files_cycle_freq, + gomc_directory_dcd_filnames, + gomc_directory_list, + gomc_path_engine_runs, + gomc_box_no, + ) + + print( + "INFO: Started all data combined from the log files for the NAMD-GOMC hybrid simulations " + "and exported into muliple files and types" + ) current_step = 0 # analyze and combine the data for the GOMC and NAMD simulations for run_no in range(0, total_sims_namd_gomc): - if run_no % 2 == 0: # NAMD's run time. :# NAMD's staring run. NAMD starts simulation series with energy minimization + if ( + run_no % 2 == 0 + ): # NAMD's run time. :# NAMD's staring run. NAMD starts simulation series with energy minimization # ************************************* # get final system energies for box 0 and 1 (start) # ***********************initial_Energies************** - namd_interation = int(run_no/2) - no_namd_box_0_directory = str(namd_directory_a_list[namd_interation]) - - read_namd_box_0_log_file = open(full_path_to_namd_data_folder + "/" + no_namd_box_0_directory - + "/" + 'out.dat', 'r').readlines() + namd_interation = int(run_no / 2) + no_namd_box_0_directory = str( + namd_directory_a_list[namd_interation] + ) + + read_namd_box_0_log_file = open( + full_path_to_namd_data_folder + + "/" + + no_namd_box_0_directory + + "/" + + "out.dat", + "r", + ).readlines() for i, line in enumerate(read_namd_box_0_log_file): split_line = line.split() - if line.startswith('TCL:') is True: - if split_line[0] == 'TCL:' and len(split_line) >= 5: - if split_line[1] == 'Minimizing' and split_line[2] == 'for' and split_line[4] == 'steps': + if line.startswith("TCL:") is True: + if split_line[0] == "TCL:" and len(split_line) >= 5: + if ( + split_line[1] == "Minimizing" + and split_line[2] == "for" + and split_line[4] == "steps" + ): namd_minimizing_steps_box_0 = float(split_line[3]) - current_step += (-1 * namd_minimizing_steps_box_0) + current_step += -1 * namd_minimizing_steps_box_0 if run_no == 0: - e_titles_namd_box_0_iteration, \ - e_titles_namd_box_0_density_iteration, \ - e_values_namd_box_0_iteration, \ - e_values_namd_box_0_density_list, \ - e_property_values_namd_box_0_list = get_namd_log_data(read_namd_box_0_log_file, - namd_box_0_data_file, - run_no) + ( + e_titles_namd_box_0_iteration, + e_titles_namd_box_0_density_iteration, + e_values_namd_box_0_iteration, + e_values_namd_box_0_density_list, + e_property_values_namd_box_0_list, + ) = get_namd_log_data( + read_namd_box_0_log_file, namd_box_0_data_file, run_no + ) else: - e_titles_namd_box_0_iteration, \ - e_titles_namd_box_0_density_iteration, \ - e_values_namd_box_0_iteration, \ - e_values_namd_box_0_density_list, \ - e_property_values_namd_box_0_list = get_namd_log_data(read_namd_box_0_log_file, - namd_box_0_data_file, - run_no, - e_values_namd_box_x_density_list= - e_values_namd_box_0_density_list, - e_titles_namd_box_x_iteration= - e_titles_namd_box_0_iteration, - e_titles_namd_box_x_density_iteration= - e_titles_namd_box_0_density_iteration) + ( + e_titles_namd_box_0_iteration, + e_titles_namd_box_0_density_iteration, + e_values_namd_box_0_iteration, + e_values_namd_box_0_density_list, + e_property_values_namd_box_0_list, + ) = get_namd_log_data( + read_namd_box_0_log_file, + namd_box_0_data_file, + run_no, + e_values_namd_box_x_density_list=e_values_namd_box_0_density_list, + e_titles_namd_box_x_iteration=e_titles_namd_box_0_iteration, + e_titles_namd_box_x_density_iteration=e_titles_namd_box_0_density_iteration, + ) # note NAMD energy units in kcal/mol (no modifications required) # generate energy file data for box 1 - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): namd_interation = str(namd_directory_b_list[namd_interation]) - read_namd_box_1_log_file = open(full_path_to_namd_data_folder + "/" + namd_interation - + "/" + 'out.dat', 'r').readlines() + read_namd_box_1_log_file = open( + full_path_to_namd_data_folder + + "/" + + namd_interation + + "/" + + "out.dat", + "r", + ).readlines() if run_no == 0: - e_titles_namd_box_1_iteration, \ - e_titles_namd_box_1_density_iteration, \ - e_values_namdD_box_1_iteration, \ - e_values_namd_box_1_density_iteration, \ - e_values_namd_box_1_density_list, \ - e_property_values_namd_box_1_list = get_namd_log_data(read_namd_box_1_log_file, - namd_box_1_data_file, - run_no) + ( + e_titles_namd_box_1_iteration, + e_titles_namd_box_1_density_iteration, + e_values_namdD_box_1_iteration, + e_values_namd_box_1_density_iteration, + e_values_namd_box_1_density_list, + e_property_values_namd_box_1_list, + ) = get_namd_log_data( + read_namd_box_1_log_file, namd_box_1_data_file, run_no + ) else: - e_titles_namd_box_1_iteration, \ - e_titles_namd_box_1_density_iteration, \ - e_values_namdD_box_1_iteration, \ - e_values_namd_box_1_density_iteration, \ - e_values_namd_box_1_density_list, \ - e_property_values_namd_box_1_list = get_namd_log_data(read_namd_box_1_log_file, - namd_box_1_data_file, - run_no, - e_values_namd_box_x_density_list= - e_values_namd_box_1_density_list, - e_titles_namd_box_x_iteration= - e_titles_namd_box_1_iteration, - e_titles_namd_box_x_density_iteration= - e_titles_namd_box_1_density_iteration) + ( + e_titles_namd_box_1_iteration, + e_titles_namd_box_1_density_iteration, + e_values_namdD_box_1_iteration, + e_values_namd_box_1_density_iteration, + e_values_namd_box_1_density_list, + e_property_values_namd_box_1_list, + ) = get_namd_log_data( + read_namd_box_1_log_file, + namd_box_1_data_file, + run_no, + e_values_namd_box_x_density_list=e_values_namd_box_1_density_list, + e_titles_namd_box_x_iteration=e_titles_namd_box_1_iteration, + e_titles_namd_box_x_density_iteration=e_titles_namd_box_1_density_iteration, + ) current_step = int(e_property_values_namd_box_0_list[-1][1]) # print('NAMD current_step = ' + str(int(current_step))) @@ -1179,95 +1602,127 @@ def combine_dcd_files(engine_name, # ************************************************* elif run_no % 2 == 1: # GOMC's run time. GOMC starts simulation series - gomc_interation = int(run_no/2) + gomc_interation = int(run_no / 2) no_gomc_directory = str(gomc_directory_list[gomc_interation]) - read_gomc_box_0_log_file = open("{}/{}/{}".format(full_path_to_gomc_data_folder, - no_gomc_directory, - 'out.dat') - , 'r').readlines() + read_gomc_box_0_log_file = open( + "{}/{}/{}".format( + full_path_to_gomc_data_folder, no_gomc_directory, "out.dat" + ), + "r", + ).readlines() # get box 0 data box_no_0 = int(0) - if run_no == 1 : - e_titles_gomc_box_0_iteration, \ - e_titles_Stat_titles_gomc_box_0_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_list, \ - e_stat_values_gomc_kcal_per_mol_box_0_list = get_gomc_log_data(read_gomc_box_0_log_file, - gomc_box_0_data_file, - run_no, box_no_0) + if run_no == 1: + ( + e_titles_gomc_box_0_iteration, + e_titles_Stat_titles_gomc_box_0_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_list, + e_stat_values_gomc_kcal_per_mol_box_0_list, + ) = get_gomc_log_data( + read_gomc_box_0_log_file, + gomc_box_0_data_file, + run_no, + box_no_0, + ) else: - e_titles_gomc_box_0_iteration, \ - e_titles_Stat_titles_gomc_box_0_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_list, \ - e_stat_values_gomc_kcal_per_mol_box_0_list = get_gomc_log_data(read_gomc_box_0_log_file, - gomc_box_0_data_file, - run_no, box_no_0, - e_stat_values_gomc_box_x_list= - e_stat_values_gomc_box_0_list, - e_stat_values_gomc_kcal_per_mol_box_x_list= - e_stat_values_gomc_kcal_per_mol_box_0_list) + ( + e_titles_gomc_box_0_iteration, + e_titles_Stat_titles_gomc_box_0_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_list, + e_stat_values_gomc_kcal_per_mol_box_0_list, + ) = get_gomc_log_data( + read_gomc_box_0_log_file, + gomc_box_0_data_file, + run_no, + box_no_0, + e_stat_values_gomc_box_x_list=e_stat_values_gomc_box_0_list, + e_stat_values_gomc_kcal_per_mol_box_x_list=e_stat_values_gomc_kcal_per_mol_box_0_list, + ) # note GOMC energy units in kcal/mol # generate energy and system file data for box 1 if simulation_type in ["GEMC"]: - read_gomc_box_1_log_file = open("{}/{}/{}".format(full_path_to_gomc_data_folder, - no_gomc_directory, - 'out.dat') - , 'r').readlines() + read_gomc_box_1_log_file = open( + "{}/{}/{}".format( + full_path_to_gomc_data_folder, + no_gomc_directory, + "out.dat", + ), + "r", + ).readlines() box_no_1 = int(1) if run_no == 1: - e_titles_gomc_box_1_iteration, \ - e_titles_stat_titles_gomc_box_1_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_list, \ - e_stat_values_gomc_kcal_per_mol_box_1_list = get_gomc_log_data(read_gomc_box_1_log_file, - gomc_box_1_data_file, - run_no, box_no_1) + ( + e_titles_gomc_box_1_iteration, + e_titles_stat_titles_gomc_box_1_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_list, + e_stat_values_gomc_kcal_per_mol_box_1_list, + ) = get_gomc_log_data( + read_gomc_box_1_log_file, + gomc_box_1_data_file, + run_no, + box_no_1, + ) else: - e_titles_gomc_box_1_iteration, \ - e_titles_stat_titles_gomc_box_1_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_list, \ - e_stat_values_gomc_kcal_per_mol_box_1_list = get_gomc_log_data(read_gomc_box_1_log_file, - gomc_box_1_data_file, - run_no, box_no_1, - e_stat_values_gomc_box_x_list= - e_stat_values_gomc_box_1_list, - e_stat_values_gomc_kcal_per_mol_box_x_list= - e_stat_values_gomc_kcal_per_mol_box_1_list) + ( + e_titles_gomc_box_1_iteration, + e_titles_stat_titles_gomc_box_1_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_list, + e_stat_values_gomc_kcal_per_mol_box_1_list, + ) = get_gomc_log_data( + read_gomc_box_1_log_file, + gomc_box_1_data_file, + run_no, + box_no_1, + e_stat_values_gomc_box_x_list=e_stat_values_gomc_box_1_list, + e_stat_values_gomc_kcal_per_mol_box_x_list=e_stat_values_gomc_kcal_per_mol_box_1_list, + ) # get histogram data if simulation_type in ["GCMC"]: - read_gomc_box_0_hist_file = open("{}/{}/{}".format(full_path_to_gomc_data_folder, - no_gomc_directory, - 'his1a.dat') - , 'r').readlines() + read_gomc_box_0_hist_file = open( + "{}/{}/{}".format( + full_path_to_gomc_data_folder, + no_gomc_directory, + "his1a.dat", + ), + "r", + ).readlines() box_no_0 = 0 # output the combined histogram data - get_gomc_hist_data(read_gomc_box_0_hist_file, - gomc_box_0_hist_file, - run_no) - - full_path_dist_files_only_list = glob.glob("{}/{}/{}".format(full_path_to_gomc_data_folder, - no_gomc_directory, - "*dis1a.dat" ) - ) + get_gomc_hist_data( + read_gomc_box_0_hist_file, gomc_box_0_hist_file, run_no + ) + + full_path_dist_files_only_list = glob.glob( + "{}/{}/{}".format( + full_path_to_gomc_data_folder, + no_gomc_directory, + "*dis1a.dat", + ) + ) for dist_i in range(0, len(full_path_dist_files_only_list)): - read_gomc_box_0_dist_file = open("{}".format(full_path_dist_files_only_list[dist_i]) - , 'r').readlines() + read_gomc_box_0_dist_file = open( + "{}".format(full_path_dist_files_only_list[dist_i]), "r" + ).readlines() - dict_of_current_dist_dicts[dist_i + 1] = get_gomc_dist_data(read_gomc_box_0_dist_file, - dict_of_current_dist_dicts[dist_i + 1]) + dict_of_current_dist_dicts[dist_i + 1] = get_gomc_dist_data( + read_gomc_box_0_dist_file, + dict_of_current_dist_dicts[dist_i + 1], + ) current_step = int(e_stat_values_gomc_box_0_iteration_list[0]) # print('GOMC current_step = ' + str(int(current_step))) @@ -1279,165 +1734,311 @@ def combine_dcd_files(engine_name, # print the combined dist file from the dict_of_current_dist_dicts if simulation_type in ["GCMC"]: - residue_or_mol_no_dist_key_list = list(dict_of_current_dist_dicts.keys()) + residue_or_mol_no_dist_key_list = list( + dict_of_current_dist_dicts.keys() + ) no_residue_mol_dist = len(residue_or_mol_no_dist_key_list) for residue_j in residue_or_mol_no_dist_key_list: - gomc_box_0_dist_filename_iter = "{}/GOMC_dist_data_box_0_res_or_mol_no_{}.txt" \ - "".format(full_path_to_combined_data_folder, - str(residue_j)) - gomc_box_0_dist_file_iter = open(gomc_box_0_dist_filename_iter, 'w') - res_dict_of_current_dist_dicts = dict_of_current_dist_dicts[residue_j] - sorted_current_dist_key_list = sorted(res_dict_of_current_dist_dicts) + gomc_box_0_dist_filename_iter = ( + "{}/GOMC_dist_data_box_0_res_or_mol_no_{}.txt" + "".format(full_path_to_combined_data_folder, str(residue_j)) + ) + gomc_box_0_dist_file_iter = open(gomc_box_0_dist_filename_iter, "w") + res_dict_of_current_dist_dicts = dict_of_current_dist_dicts[ + residue_j + ] + sorted_current_dist_key_list = sorted( + res_dict_of_current_dist_dicts + ) for key in sorted_current_dist_key_list: - gomc_box_0_dist_file_iter.write("{} {}\n".format(key, res_dict_of_current_dist_dicts[key])) - - e_values_density_namd_box_0_df = pd.DataFrame(data=e_values_namd_box_0_density_list, - columns=e_titles_namd_box_0_density_iteration) - e_values_density_namd_box_0_df.to_csv(namd_box_0_data_density_filename, sep=" ", index=False) - - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - e_values_density_namd_box_1_df = pd.DataFrame(data=e_values_namd_box_1_density_list, - columns=e_titles_namd_box_1_density_iteration) - e_values_density_namd_box_1_df.to_csv(namd_box_1_data_density_filename, sep=" ", index=False) - - e_stat_gomc_box_0_df = pd.DataFrame(data=e_stat_values_gomc_box_0_list, - columns=e_titles_Stat_titles_gomc_box_0_iteration_list) - e_stat_gomc_box_0_df.to_csv(gomc_box_0_energies_stat_filename, sep=" ", index=False) - - e_stat_kcal_per_mol_gomc_box_0_df = pd.DataFrame(data=e_stat_values_gomc_kcal_per_mol_box_0_list, - columns=e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list) - e_stat_kcal_per_mol_gomc_box_0_df.to_csv(gomc_box_0_energies_stat_kcal_per_mol_filename, sep=" ", index=False) + gomc_box_0_dist_file_iter.write( + "{} {}\n".format(key, res_dict_of_current_dist_dicts[key]) + ) + + e_values_density_namd_box_0_df = pd.DataFrame( + data=e_values_namd_box_0_density_list, + columns=e_titles_namd_box_0_density_iteration, + ) + e_values_density_namd_box_0_df.to_csv( + namd_box_0_data_density_filename, sep=" ", index=False + ) + + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + e_values_density_namd_box_1_df = pd.DataFrame( + data=e_values_namd_box_1_density_list, + columns=e_titles_namd_box_1_density_iteration, + ) + e_values_density_namd_box_1_df.to_csv( + namd_box_1_data_density_filename, sep=" ", index=False + ) + + e_stat_gomc_box_0_df = pd.DataFrame( + data=e_stat_values_gomc_box_0_list, + columns=e_titles_Stat_titles_gomc_box_0_iteration_list, + ) + e_stat_gomc_box_0_df.to_csv( + gomc_box_0_energies_stat_filename, sep=" ", index=False + ) + + e_stat_kcal_per_mol_gomc_box_0_df = pd.DataFrame( + data=e_stat_values_gomc_kcal_per_mol_box_0_list, + columns=e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, + ) + e_stat_kcal_per_mol_gomc_box_0_df.to_csv( + gomc_box_0_energies_stat_kcal_per_mol_filename, sep=" ", index=False + ) if simulation_type in ["GEMC"]: - e_stat_gomc_box_1_df = pd.DataFrame(data=e_stat_values_gomc_box_1_list, - columns=e_titles_stat_titles_gomc_box_1_iteration_list) - e_stat_gomc_box_1_df.to_csv(gomc_box_1_energies_stat_filename, sep=" ", index=False) - e_stat_kcal_per_mol_gomc_box_1_df = pd.DataFrame(data=e_stat_values_gomc_kcal_per_mol_box_1_list, - columns=e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list) - e_stat_kcal_per_mol_gomc_box_1_df.to_csv(gomc_box_1_energies_stat_kcal_per_mol_filename, sep=" ", index=False) + e_stat_gomc_box_1_df = pd.DataFrame( + data=e_stat_values_gomc_box_1_list, + columns=e_titles_stat_titles_gomc_box_1_iteration_list, + ) + e_stat_gomc_box_1_df.to_csv( + gomc_box_1_energies_stat_filename, sep=" ", index=False + ) + e_stat_kcal_per_mol_gomc_box_1_df = pd.DataFrame( + data=e_stat_values_gomc_kcal_per_mol_box_1_list, + columns=e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, + ) + e_stat_kcal_per_mol_gomc_box_1_df.to_csv( + gomc_box_1_energies_stat_kcal_per_mol_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data (Start) # **************************************** - e_values_density_namd_box_0_STEP_list = e_values_density_namd_box_0_df.loc[:, '#TS'].tolist() + e_values_density_namd_box_0_STEP_list = e_values_density_namd_box_0_df.loc[ + :, "#TS" + ].tolist() # add 0.1 to the NAMD modified timestep for easy sorting later - e_values_density_namd_box_0_MOD_STEP_list = [str(float(i) + 0.2) for i in e_values_density_namd_box_0_STEP_list] - e_values_density_namd_box_0_ENGINE_list = ["NAMD" for i in e_values_density_namd_box_0_STEP_list] - e_values_density_namd_box_0_TOTAL_POT_list = e_values_density_namd_box_0_df.loc[:, 'POTENTIAL'].tolist() - e_values_density_namd_box_0_TOTAL_ELECT_list = e_values_density_namd_box_0_df.loc[:, 'ELECT'].tolist() - e_values_density_namd_box_0_TOTAL_VDW_list = e_values_density_namd_box_0_df.loc[:, 'VDW'].tolist() - e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list = [float(e_values_density_namd_box_0_TOTAL_VDW_list[k_i]) + - float(e_values_density_namd_box_0_TOTAL_ELECT_list[k_i]) - for k_i in range(0, len(e_values_density_namd_box_0_TOTAL_VDW_list))] - e_values_density_namd_box_0_PRESSURE_list = e_values_density_namd_box_0_df.loc[:, 'PRESSURE'].tolist() - e_values_density_namd_box_0_VOLUME_list = e_values_density_namd_box_0_df.loc[:, 'VOLUME'].tolist() - e_values_density_namd_box_0_DENSITY_list = e_values_density_namd_box_0_df.loc[:, 'DENSITY'].tolist() - - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - e_values_density_namd_box_1_STEP_list = e_values_density_namd_box_1_df.loc[:, '#TS'].tolist() + e_values_density_namd_box_0_MOD_STEP_list = [ + str(float(i) + 0.2) for i in e_values_density_namd_box_0_STEP_list + ] + e_values_density_namd_box_0_ENGINE_list = [ + "NAMD" for i in e_values_density_namd_box_0_STEP_list + ] + e_values_density_namd_box_0_TOTAL_POT_list = ( + e_values_density_namd_box_0_df.loc[:, "POTENTIAL"].tolist() + ) + e_values_density_namd_box_0_TOTAL_ELECT_list = ( + e_values_density_namd_box_0_df.loc[:, "ELECT"].tolist() + ) + e_values_density_namd_box_0_TOTAL_VDW_list = ( + e_values_density_namd_box_0_df.loc[:, "VDW"].tolist() + ) + e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list = [ + float(e_values_density_namd_box_0_TOTAL_VDW_list[k_i]) + + float(e_values_density_namd_box_0_TOTAL_ELECT_list[k_i]) + for k_i in range(0, len(e_values_density_namd_box_0_TOTAL_VDW_list)) + ] + e_values_density_namd_box_0_PRESSURE_list = ( + e_values_density_namd_box_0_df.loc[:, "PRESSURE"].tolist() + ) + e_values_density_namd_box_0_VOLUME_list = ( + e_values_density_namd_box_0_df.loc[:, "VOLUME"].tolist() + ) + e_values_density_namd_box_0_DENSITY_list = ( + e_values_density_namd_box_0_df.loc[:, "DENSITY"].tolist() + ) + + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + e_values_density_namd_box_1_STEP_list = ( + e_values_density_namd_box_1_df.loc[:, "#TS"].tolist() + ) # add 0.1 to the NAMD modified timestep for easy sorting later - e_values_density_namd_box_1_MOD_STEP_list = [str(float(i) + 0.2) for i in e_values_density_namd_box_1_STEP_list] - e_values_density_namd_box_1_ENGINE_list = ["NAMD" for i in e_values_density_namd_box_1_STEP_list] - e_values_density_namd_box_1_TOTAL_POT_list = e_values_density_namd_box_1_df.loc[:, 'POTENTIAL'].tolist() - e_values_density_namd_box_1_TOTAL_ELECT_list = e_values_density_namd_box_1_df.loc[:, 'ELECT'].tolist() - e_values_density_namd_box_1_TOTAL_VDW_list = e_values_density_namd_box_1_df.loc[:, 'VDW'].tolist() - e_values_density_namd_box_1_TOTAL_VDW_plus_ELECT_list = [float(e_values_density_namd_box_1_TOTAL_VDW_list[k_i]) + - float(e_values_density_namd_box_1_TOTAL_ELECT_list[k_i]) - for k_i in range(0, len(e_values_density_namd_box_1_TOTAL_VDW_list))] - e_values_density_namd_box_1_PRESSURE_list = e_values_density_namd_box_1_df.loc[:, 'PRESSURE'].tolist() - e_values_density_namd_box_1_PRESSURE_list = e_values_density_namd_box_1_df.loc[:, 'PRESSURE'].tolist() - e_values_density_namd_box_1_VOLUME_list = e_values_density_namd_box_1_df.loc[:, 'VOLUME'].tolist() - e_values_density_namd_box_1_DENSITY_list = e_values_density_namd_box_1_df.loc[:, 'DENSITY'].tolist() - - e_values_density_gomc_box_0_STEP_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, '#STEP'].tolist() + e_values_density_namd_box_1_MOD_STEP_list = [ + str(float(i) + 0.2) for i in e_values_density_namd_box_1_STEP_list + ] + e_values_density_namd_box_1_ENGINE_list = [ + "NAMD" for i in e_values_density_namd_box_1_STEP_list + ] + e_values_density_namd_box_1_TOTAL_POT_list = ( + e_values_density_namd_box_1_df.loc[:, "POTENTIAL"].tolist() + ) + e_values_density_namd_box_1_TOTAL_ELECT_list = ( + e_values_density_namd_box_1_df.loc[:, "ELECT"].tolist() + ) + e_values_density_namd_box_1_TOTAL_VDW_list = ( + e_values_density_namd_box_1_df.loc[:, "VDW"].tolist() + ) + e_values_density_namd_box_1_TOTAL_VDW_plus_ELECT_list = [ + float(e_values_density_namd_box_1_TOTAL_VDW_list[k_i]) + + float(e_values_density_namd_box_1_TOTAL_ELECT_list[k_i]) + for k_i in range(0, len(e_values_density_namd_box_1_TOTAL_VDW_list)) + ] + e_values_density_namd_box_1_PRESSURE_list = ( + e_values_density_namd_box_1_df.loc[:, "PRESSURE"].tolist() + ) + e_values_density_namd_box_1_PRESSURE_list = ( + e_values_density_namd_box_1_df.loc[:, "PRESSURE"].tolist() + ) + e_values_density_namd_box_1_VOLUME_list = ( + e_values_density_namd_box_1_df.loc[:, "VOLUME"].tolist() + ) + e_values_density_namd_box_1_DENSITY_list = ( + e_values_density_namd_box_1_df.loc[:, "DENSITY"].tolist() + ) + + e_values_density_gomc_box_0_STEP_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "#STEP"].tolist() + ) # add 0.4 or 0.2 to the GOMC modified timestep for easy sorting later e_values_density_gomc_box_0_MOD_STEP_list = [] for i in range(0, len(e_values_density_gomc_box_0_STEP_list)): if i % 2 == 1: - e_values_density_gomc_box_0_MOD_STEP_iteration = str(float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 / 4) + e_values_density_gomc_box_0_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 / 4 + ) else: - e_values_density_gomc_box_0_MOD_STEP_iteration = str(float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4) - e_values_density_gomc_box_0_MOD_STEP_list.append(e_values_density_gomc_box_0_MOD_STEP_iteration) - e_values_density_gomc_box_0_ENGINE_list = ["GOMC" for i in e_values_density_gomc_box_0_STEP_list] - e_values_density_gomc_box_0_TOTAL_POT_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOTAL'].tolist() - e_values_density_gomc_box_0_TOTAL_ELECT_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOTAL_ELECT'].tolist() + e_values_density_gomc_box_0_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 + ) + e_values_density_gomc_box_0_MOD_STEP_list.append( + e_values_density_gomc_box_0_MOD_STEP_iteration + ) + e_values_density_gomc_box_0_ENGINE_list = [ + "GOMC" for i in e_values_density_gomc_box_0_STEP_list + ] + e_values_density_gomc_box_0_TOTAL_POT_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOTAL"].tolist() + ) + e_values_density_gomc_box_0_TOTAL_ELECT_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOTAL_ELECT"].tolist() + ) try: - e_values_density_gomc_box_0_PRESSURE_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'PRESSURE'].tolist() + e_values_density_gomc_box_0_PRESSURE_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "PRESSURE"].tolist() + ) except: - e_values_density_gomc_box_0_PRESSURE_list = ['NA' - for k_i in - range(0, len(e_values_density_gomc_box_0_STEP_list))] + e_values_density_gomc_box_0_PRESSURE_list = [ + "NA" for k_i in range(0, len(e_values_density_gomc_box_0_STEP_list)) + ] - if simulation_type in ["GCMC", 'NVT']: + if simulation_type in ["GCMC", "NVT"]: # use NAMD volume for GCMC and NVT since GOMC is not outputting it - NAMD_Volume_for_NVT_or_GCMC_box_0 = e_values_density_namd_box_0_VOLUME_list[0] - e_values_density_gomc_box_0_VOLUME_list = [NAMD_Volume_for_NVT_or_GCMC_box_0 - for i in e_values_density_gomc_box_0_STEP_list] + NAMD_Volume_for_NVT_or_GCMC_box_0 = ( + e_values_density_namd_box_0_VOLUME_list[0] + ) + e_values_density_gomc_box_0_VOLUME_list = [ + NAMD_Volume_for_NVT_or_GCMC_box_0 + for i in e_values_density_gomc_box_0_STEP_list + ] else: try: - e_values_density_gomc_box_0_VOLUME_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'VOLUME'].tolist() + e_values_density_gomc_box_0_VOLUME_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "VOLUME"].tolist() + ) except: - e_values_density_gomc_box_0_VOLUME_list = ['NA' - for k_i in - range(0, len(e_values_density_gomc_box_0_TOTAL_POT_list))] - - e_values_density_gomc_box_0_DENSITY_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOT_DENSITY'].tolist() - e_values_density_gomc_box_0_INTRA_NB_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'INTRA(NB)'].tolist() - e_values_density_gomc_box_0_INTER_LJ_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'INTER(LJ)'].tolist() + e_values_density_gomc_box_0_VOLUME_list = [ + "NA" + for k_i in range( + 0, len(e_values_density_gomc_box_0_TOTAL_POT_list) + ) + ] + + e_values_density_gomc_box_0_DENSITY_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOT_DENSITY"].tolist() + ) + e_values_density_gomc_box_0_INTRA_NB_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "INTRA(NB)"].tolist() + ) + e_values_density_gomc_box_0_INTER_LJ_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "INTER(LJ)"].tolist() + ) e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list = [] for i in range(0, len(e_values_density_gomc_box_0_INTRA_NB_list)): - e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list.append(float(e_values_density_gomc_box_0_INTRA_NB_list[i]) - + float(e_values_density_gomc_box_0_INTER_LJ_list[i]) - + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i]) - ) + e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list.append( + float(e_values_density_gomc_box_0_INTRA_NB_list[i]) + + float(e_values_density_gomc_box_0_INTER_LJ_list[i]) + + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i]) + ) if simulation_type in ["GEMC"]: - e_values_density_gomc_box_1_STEP_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, '#STEP'].tolist() + e_values_density_gomc_box_1_STEP_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "#STEP"].tolist() + ) # add 0.4 or 0.2 to the GOMC modified timestep for easy sorting later e_values_density_gomc_box_1_MOD_STEP_list = [] for i in range(0, len(e_values_density_gomc_box_1_STEP_list)): if i % 2 == 1: - e_values_density_gomc_box_1_MOD_STEP_iteration = str(float(e_values_density_gomc_box_1_STEP_list[i]) - + 0.4/4) + e_values_density_gomc_box_1_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_1_STEP_list[i]) + 0.4 / 4 + ) else: - e_values_density_gomc_box_1_MOD_STEP_iteration = str(float(e_values_density_gomc_box_1_STEP_list[i]) - + 0.4) - e_values_density_gomc_box_1_MOD_STEP_list.append(e_values_density_gomc_box_1_MOD_STEP_iteration) - - e_values_density_gomc_box_1_ENGINE_list = ["GOMC" for i in e_values_density_gomc_box_1_STEP_list] - e_values_density_gomc_box_1_TOTAL_POT_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOTAL'].tolist() - e_values_density_gomc_box_1_TOTAL_ELECT_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOTAL_ELECT'].tolist() - e_values_density_gomc_box_1_PRESSURE_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'PRESSURE'].tolist() + e_values_density_gomc_box_1_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_1_STEP_list[i]) + 0.4 + ) + e_values_density_gomc_box_1_MOD_STEP_list.append( + e_values_density_gomc_box_1_MOD_STEP_iteration + ) + + e_values_density_gomc_box_1_ENGINE_list = [ + "GOMC" for i in e_values_density_gomc_box_1_STEP_list + ] + e_values_density_gomc_box_1_TOTAL_POT_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOTAL"].tolist() + ) + e_values_density_gomc_box_1_TOTAL_ELECT_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOTAL_ELECT"].tolist() + ) + e_values_density_gomc_box_1_PRESSURE_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "PRESSURE"].tolist() + ) try: - e_values_density_gomc_box_1_PRESSURE_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'PRESSURE'].tolist() + e_values_density_gomc_box_1_PRESSURE_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "PRESSURE"].tolist() + ) except: - e_values_density_gomc_box_1_PRESSURE_list = ['NA' - for k_i in - range(0, len(e_values_density_gomc_box_1_STEP_list))] + e_values_density_gomc_box_1_PRESSURE_list = [ + "NA" + for k_i in range(0, len(e_values_density_gomc_box_1_STEP_list)) + ] - if simulation_type in ["GCMC", 'NVT']: + if simulation_type in ["GCMC", "NVT"]: # use NAMD volume for GCMC and NVT since GOMC is not outputting it - NAMD_Volume_for_NVT_or_GCMC_box_1 = e_values_density_namd_box_1_VOLUME_list[0] - e_values_density_gomc_box_1_VOLUME_list = [NAMD_Volume_for_NVT_or_GCMC_box_1 - for i in e_values_density_gomc_box_1_STEP_list] + NAMD_Volume_for_NVT_or_GCMC_box_1 = ( + e_values_density_namd_box_1_VOLUME_list[0] + ) + e_values_density_gomc_box_1_VOLUME_list = [ + NAMD_Volume_for_NVT_or_GCMC_box_1 + for i in e_values_density_gomc_box_1_STEP_list + ] else: try: - e_values_density_gomc_box_1_VOLUME_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'VOLUME'].tolist() + e_values_density_gomc_box_1_VOLUME_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "VOLUME"].tolist() + ) except: - e_values_density_gomc_box_1_VOLUME_list = ['NA' - for k_i in - range(0, len(e_values_density_gomc_box_1_TOTAL_POT_list))] - - e_values_density_gomc_box_1_DENSITY_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOT_DENSITY'].tolist() - e_values_density_gomc_box_1_INTRA_NB_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'INTRA(NB)'].tolist() - e_values_density_gomc_box_1_INTER_LJ_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'INTER(LJ)'].tolist() + e_values_density_gomc_box_1_VOLUME_list = [ + "NA" + for k_i in range( + 0, len(e_values_density_gomc_box_1_TOTAL_POT_list) + ) + ] + + e_values_density_gomc_box_1_DENSITY_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOT_DENSITY"].tolist() + ) + e_values_density_gomc_box_1_INTRA_NB_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "INTRA(NB)"].tolist() + ) + e_values_density_gomc_box_1_INTER_LJ_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "INTER(LJ)"].tolist() + ) e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list = [] for i in range(0, len(e_values_density_gomc_box_1_INTRA_NB_list)): - e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list.append(float(e_values_density_gomc_box_1_INTRA_NB_list[i]) - + float(e_values_density_gomc_box_1_INTER_LJ_list[i]) - + float(e_values_density_gomc_box_1_TOTAL_ELECT_list[i]) - ) + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list.append( + float(e_values_density_gomc_box_1_INTRA_NB_list[i]) + + float(e_values_density_gomc_box_1_INTER_LJ_list[i]) + + float(e_values_density_gomc_box_1_TOTAL_ELECT_list[i]) + ) # **************************************** # write the combined NAMD and GOMC data for box 0 (Start) @@ -1447,33 +2048,67 @@ def combine_dcd_files(engine_name, combined_MOD_STEP_box_0 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_namd_box_0_MOD_STEP_list)): - combined_MOD_STEP_box_0.append(float(e_values_density_namd_box_0_MOD_STEP_list[i])) + combined_MOD_STEP_box_0.append( + float(e_values_density_namd_box_0_MOD_STEP_list[i]) + ) for i in range(0, len(e_values_density_gomc_box_0_MOD_STEP_list)): - combined_MOD_STEP_box_0.append(float(e_values_density_gomc_box_0_MOD_STEP_list[i])) - - combined_ENGINE_box_0 = e_values_density_namd_box_0_ENGINE_list + e_values_density_gomc_box_0_ENGINE_list - combined_STEP_box_0 = e_values_density_namd_box_0_STEP_list + e_values_density_gomc_box_0_STEP_list - combined_TOTAL_POT_box_0 = e_values_density_namd_box_0_TOTAL_POT_list + e_values_density_gomc_box_0_TOTAL_POT_list - combined_TOTAL_ELECT_box_0 = e_values_density_namd_box_0_TOTAL_ELECT_list + e_values_density_gomc_box_0_TOTAL_ELECT_list - combined_TOTAL_VDW_plus_ELECT_box_0 = e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list + e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list - combined_PRESSURE_box_0 = e_values_density_namd_box_0_PRESSURE_list + e_values_density_gomc_box_0_PRESSURE_list - combined_VOLUME_box_0 = e_values_density_namd_box_0_VOLUME_list + e_values_density_gomc_box_0_VOLUME_list - combined_DENSITY_box_0 = e_values_density_namd_box_0_DENSITY_list + e_values_density_gomc_box_0_DENSITY_list - - combined_data_box_0_df = pd.DataFrame({ - "#ENGINE": combined_ENGINE_box_0, - "MOD_STEP": combined_MOD_STEP_box_0, - "STEP": combined_STEP_box_0, - 'TOTAL_POT': combined_TOTAL_POT_box_0, - 'TOTAL_ELECT': combined_TOTAL_ELECT_box_0, - 'TOTAL_VDW_plus_ELECT': combined_TOTAL_VDW_plus_ELECT_box_0, - 'PRESSURE': combined_PRESSURE_box_0, - 'VOLUME': combined_VOLUME_box_0, - 'DENSITY': combined_DENSITY_box_0 - }) - combined_data_sorted_box_0_df = combined_data_box_0_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + combined_MOD_STEP_box_0.append( + float(e_values_density_gomc_box_0_MOD_STEP_list[i]) + ) + + combined_ENGINE_box_0 = ( + e_values_density_namd_box_0_ENGINE_list + + e_values_density_gomc_box_0_ENGINE_list + ) + combined_STEP_box_0 = ( + e_values_density_namd_box_0_STEP_list + + e_values_density_gomc_box_0_STEP_list + ) + combined_TOTAL_POT_box_0 = ( + e_values_density_namd_box_0_TOTAL_POT_list + + e_values_density_gomc_box_0_TOTAL_POT_list + ) + combined_TOTAL_ELECT_box_0 = ( + e_values_density_namd_box_0_TOTAL_ELECT_list + + e_values_density_gomc_box_0_TOTAL_ELECT_list + ) + combined_TOTAL_VDW_plus_ELECT_box_0 = ( + e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list + + e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list + ) + combined_PRESSURE_box_0 = ( + e_values_density_namd_box_0_PRESSURE_list + + e_values_density_gomc_box_0_PRESSURE_list + ) + combined_VOLUME_box_0 = ( + e_values_density_namd_box_0_VOLUME_list + + e_values_density_gomc_box_0_VOLUME_list + ) + combined_DENSITY_box_0 = ( + e_values_density_namd_box_0_DENSITY_list + + e_values_density_gomc_box_0_DENSITY_list + ) + + combined_data_box_0_df = pd.DataFrame( + { + "#ENGINE": combined_ENGINE_box_0, + "MOD_STEP": combined_MOD_STEP_box_0, + "STEP": combined_STEP_box_0, + "TOTAL_POT": combined_TOTAL_POT_box_0, + "TOTAL_ELECT": combined_TOTAL_ELECT_box_0, + "TOTAL_VDW_plus_ELECT": combined_TOTAL_VDW_plus_ELECT_box_0, + "PRESSURE": combined_PRESSURE_box_0, + "VOLUME": combined_VOLUME_box_0, + "DENSITY": combined_DENSITY_box_0, + } + ) + combined_data_sorted_box_0_df = combined_data_box_0_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) combined_data_sorted_box_0_df.drop("MOD_STEP", axis=1, inplace=True) - combined_data_sorted_box_0_df.to_csv(combined_box_0_data_filename, sep=" ", index=False) + combined_data_sorted_box_0_df.to_csv( + combined_box_0_data_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data for box 0 (Start) # **************************************** @@ -1483,67 +2118,118 @@ def combine_dcd_files(engine_name, # **************************************** # combine Engine data - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): combined_MOD_STEP_box_1 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_namd_box_1_MOD_STEP_list)): - combined_MOD_STEP_box_1.append(float(e_values_density_namd_box_1_MOD_STEP_list[i])) + combined_MOD_STEP_box_1.append( + float(e_values_density_namd_box_1_MOD_STEP_list[i]) + ) for i in range(0, len(e_values_density_gomc_box_1_MOD_STEP_list)): - combined_MOD_STEP_box_1.append(float(e_values_density_gomc_box_1_MOD_STEP_list[i])) - - combined_ENGINE_box_1 = e_values_density_namd_box_1_ENGINE_list + e_values_density_gomc_box_1_ENGINE_list - combined_STEP_box_1 = e_values_density_namd_box_1_STEP_list + e_values_density_gomc_box_1_STEP_list - combined_TOTAL_POT_box_1 = e_values_density_namd_box_1_TOTAL_POT_list + e_values_density_gomc_box_1_TOTAL_POT_list - combined_TOTAL_ELECT_box_1 = e_values_density_namd_box_1_TOTAL_ELECT_list + e_values_density_gomc_box_1_TOTAL_ELECT_list - combined_TOTAL_VDW_plus_ELECT_box_1 = e_values_density_namd_box_1_TOTAL_VDW_plus_ELECT_list + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list - combined_PRESSURE_box_1 = e_values_density_namd_box_1_PRESSURE_list + e_values_density_gomc_box_1_PRESSURE_list - combined_VOLUME_box_1 = e_values_density_namd_box_1_VOLUME_list + e_values_density_gomc_box_1_VOLUME_list - combined_DENSITY_box_1 = e_values_density_namd_box_1_DENSITY_list + e_values_density_gomc_box_1_DENSITY_list - - combined_data_box_1_df = pd.DataFrame({ - "#ENGINE": combined_ENGINE_box_1, - "MOD_STEP": combined_MOD_STEP_box_1, - "STEP": combined_STEP_box_1, - 'TOTAL_POT': combined_TOTAL_POT_box_1, - 'TOTAL_ELECT': combined_TOTAL_ELECT_box_1, - 'TOTAL_VDW_plus_ELECT': combined_TOTAL_VDW_plus_ELECT_box_1, - 'PRESSURE': combined_PRESSURE_box_1, - 'VOLUME': combined_VOLUME_box_1, - 'DENSITY': combined_DENSITY_box_1 - }) - combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + combined_MOD_STEP_box_1.append( + float(e_values_density_gomc_box_1_MOD_STEP_list[i]) + ) + + combined_ENGINE_box_1 = ( + e_values_density_namd_box_1_ENGINE_list + + e_values_density_gomc_box_1_ENGINE_list + ) + combined_STEP_box_1 = ( + e_values_density_namd_box_1_STEP_list + + e_values_density_gomc_box_1_STEP_list + ) + combined_TOTAL_POT_box_1 = ( + e_values_density_namd_box_1_TOTAL_POT_list + + e_values_density_gomc_box_1_TOTAL_POT_list + ) + combined_TOTAL_ELECT_box_1 = ( + e_values_density_namd_box_1_TOTAL_ELECT_list + + e_values_density_gomc_box_1_TOTAL_ELECT_list + ) + combined_TOTAL_VDW_plus_ELECT_box_1 = ( + e_values_density_namd_box_1_TOTAL_VDW_plus_ELECT_list + + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list + ) + combined_PRESSURE_box_1 = ( + e_values_density_namd_box_1_PRESSURE_list + + e_values_density_gomc_box_1_PRESSURE_list + ) + combined_VOLUME_box_1 = ( + e_values_density_namd_box_1_VOLUME_list + + e_values_density_gomc_box_1_VOLUME_list + ) + combined_DENSITY_box_1 = ( + e_values_density_namd_box_1_DENSITY_list + + e_values_density_gomc_box_1_DENSITY_list + ) + + combined_data_box_1_df = pd.DataFrame( + { + "#ENGINE": combined_ENGINE_box_1, + "MOD_STEP": combined_MOD_STEP_box_1, + "STEP": combined_STEP_box_1, + "TOTAL_POT": combined_TOTAL_POT_box_1, + "TOTAL_ELECT": combined_TOTAL_ELECT_box_1, + "TOTAL_VDW_plus_ELECT": combined_TOTAL_VDW_plus_ELECT_box_1, + "PRESSURE": combined_PRESSURE_box_1, + "VOLUME": combined_VOLUME_box_1, + "DENSITY": combined_DENSITY_box_1, + } + ) + combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) combined_data_sorted_box_1_df.drop("MOD_STEP", axis=1, inplace=True) - combined_data_sorted_box_1_df.to_csv(combined_box_1_data_filename, sep=" ", index=False) + combined_data_sorted_box_1_df.to_csv( + combined_box_1_data_filename, sep=" ", index=False + ) - elif simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is True: + elif ( + simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is True + ): combined_MOD_STEP_box_1 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_gomc_box_1_MOD_STEP_list)): - combined_MOD_STEP_box_1.append(float(e_values_density_gomc_box_1_MOD_STEP_list[i])) + combined_MOD_STEP_box_1.append( + float(e_values_density_gomc_box_1_MOD_STEP_list[i]) + ) combined_ENGINE_box_1 = e_values_density_gomc_box_1_ENGINE_list combined_STEP_box_1 = e_values_density_gomc_box_1_STEP_list combined_TOTAL_POT_box_1 = e_values_density_gomc_box_1_TOTAL_POT_list - combined_TOTAL_ELECT_box_1 = e_values_density_gomc_box_1_TOTAL_ELECT_list - combined_TOTAL_VDW_plus_ELECT_box_1 = e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list + combined_TOTAL_ELECT_box_1 = ( + e_values_density_gomc_box_1_TOTAL_ELECT_list + ) + combined_TOTAL_VDW_plus_ELECT_box_1 = ( + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list + ) combined_PRESSURE_box_1 = e_values_density_gomc_box_1_PRESSURE_list combined_VOLUME_box_1 = e_values_density_gomc_box_1_VOLUME_list combined_DENSITY_box_1 = e_values_density_gomc_box_1_DENSITY_list - combined_data_box_1_df = pd.DataFrame({ - "#ENGINE": combined_ENGINE_box_1, - "MOD_STEP": combined_MOD_STEP_box_1, - "STEP": combined_STEP_box_1, - 'TOTAL_POT': combined_TOTAL_POT_box_1, - 'TOTAL_ELECT': combined_TOTAL_ELECT_box_1, - 'TOTAL_VDW_plus_ELECT': combined_TOTAL_VDW_plus_ELECT_box_1, - 'PRESSURE': combined_PRESSURE_box_1, - 'DENSITY': combined_DENSITY_box_1 - }) - - combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + combined_data_box_1_df = pd.DataFrame( + { + "#ENGINE": combined_ENGINE_box_1, + "MOD_STEP": combined_MOD_STEP_box_1, + "STEP": combined_STEP_box_1, + "TOTAL_POT": combined_TOTAL_POT_box_1, + "TOTAL_ELECT": combined_TOTAL_ELECT_box_1, + "TOTAL_VDW_plus_ELECT": combined_TOTAL_VDW_plus_ELECT_box_1, + "PRESSURE": combined_PRESSURE_box_1, + "DENSITY": combined_DENSITY_box_1, + } + ) + + combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) combined_data_sorted_box_1_df.drop("MOD_STEP", axis=1, inplace=True) - combined_data_sorted_box_1_df.to_csv(combined_box_1_data_filename, sep=" ", index=False) + combined_data_sorted_box_1_df.to_csv( + combined_box_1_data_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data for box 1 (end) @@ -1552,8 +2238,10 @@ def combine_dcd_files(engine_name, # **************************************** # write the combined NAMD and GOMC data (end) # **************************************** - print("INFO: Finished all data combined for the NAMD-GOMC hybrid simulations and " - "exported into muliple files and types") + print( + "INFO: Finished all data combined for the NAMD-GOMC hybrid simulations and " + "exported into muliple files and types" + ) # **************************************** # **************************************** @@ -1566,46 +2254,52 @@ def combine_dcd_files(engine_name, # GOMC only data extraction (Start) # **************************************** # **************************************** -elif simulation_engine_options == 'GOMC-only': +elif simulation_engine_options == "GOMC-only": run_no = 1 # run number is always 1 current_step = 0 - print("INFO: Started all data extraction for GOMC-only runs and exported into muliple files and types") + print( + "INFO: Started all data extraction for GOMC-only runs and exported into muliple files and types" + ) - read_gomc_box_0_log_file = open(gomc_or_namd_only_log_filename, 'r').readlines() + read_gomc_box_0_log_file = open( + gomc_or_namd_only_log_filename, "r" + ).readlines() # get box 0 data box_no_0 = int(0) - e_titles_gomc_box_0_iteration, \ - e_titles_stat_titles_gomc_box_0_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_iteration_list, \ - e_stat_values_gomc_box_0_list, \ - e_stat_values_gomc_kcal_per_mol_box_0_list = get_gomc_log_data(read_gomc_box_0_log_file, - gomc_box_0_data_file, - run_no, - box_no_0 - ) + ( + e_titles_gomc_box_0_iteration, + e_titles_stat_titles_gomc_box_0_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_iteration_list, + e_stat_values_gomc_box_0_list, + e_stat_values_gomc_kcal_per_mol_box_0_list, + ) = get_gomc_log_data( + read_gomc_box_0_log_file, gomc_box_0_data_file, run_no, box_no_0 + ) # note GOMC energy units in kcal/mol # generate energy and system file data for box 1 - print('simulation_type = ' +str(simulation_type)) + print("simulation_type = " + str(simulation_type)) if simulation_type in ["GEMC"]: - read_gomc_box_1_log_file = open(gomc_or_namd_only_log_filename, 'r').readlines() + read_gomc_box_1_log_file = open( + gomc_or_namd_only_log_filename, "r" + ).readlines() box_no_1 = int(1) - e_titles_gomc_box_1_iteration, \ - e_titles_stat_titles_gomc_box_1_iteration_list, \ - e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_iteration_list, \ - e_stat_values_gomc_box_1_list, \ - e_stat_values_gomc_kcal_per_mol_box_1_list = get_gomc_log_data(read_gomc_box_1_log_file, - gomc_box_1_data_file, - run_no, - box_no_1 - ) + ( + e_titles_gomc_box_1_iteration, + e_titles_stat_titles_gomc_box_1_iteration_list, + e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_iteration_list, + e_stat_values_gomc_box_1_list, + e_stat_values_gomc_kcal_per_mol_box_1_list, + ) = get_gomc_log_data( + read_gomc_box_1_log_file, gomc_box_1_data_file, run_no, box_no_1 + ) # ************************************************* # ************************************************* @@ -1613,87 +2307,160 @@ def combine_dcd_files(engine_name, # ************************************************* # ************************************************* - e_stat_gomc_box_0_df = pd.DataFrame(data=e_stat_values_gomc_box_0_list, - columns=e_titles_stat_titles_gomc_box_0_iteration_list) - e_stat_gomc_box_0_df.to_csv(gomc_box_0_energies_stat_filename, sep=" ", index=False) - - e_stat_kcal_per_mol_gomc_box_0_df = pd.DataFrame(data=e_stat_values_gomc_kcal_per_mol_box_0_list, - columns=e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list) - e_stat_kcal_per_mol_gomc_box_0_df.to_csv(gomc_box_0_energies_stat_kcal_per_mol_filename, sep=" ", index=False) + e_stat_gomc_box_0_df = pd.DataFrame( + data=e_stat_values_gomc_box_0_list, + columns=e_titles_stat_titles_gomc_box_0_iteration_list, + ) + e_stat_gomc_box_0_df.to_csv( + gomc_box_0_energies_stat_filename, sep=" ", index=False + ) + + e_stat_kcal_per_mol_gomc_box_0_df = pd.DataFrame( + data=e_stat_values_gomc_kcal_per_mol_box_0_list, + columns=e_titles_kcal_per_mol_stat_titles_gomc_box_0_iteration_list, + ) + e_stat_kcal_per_mol_gomc_box_0_df.to_csv( + gomc_box_0_energies_stat_kcal_per_mol_filename, sep=" ", index=False + ) if simulation_type in ["GEMC"]: - e_stat_gomc_box_1_df = pd.DataFrame(data=e_stat_values_gomc_box_1_list, - columns=e_titles_stat_titles_gomc_box_1_iteration_list) - e_stat_gomc_box_1_df.to_csv(gomc_box_1_energies_stat_filename, sep=" ", index=False) - e_stat_kcal_per_mol_gomc_box_1_df = pd.DataFrame(data=e_stat_values_gomc_kcal_per_mol_box_1_list, - columns=e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list) - e_stat_kcal_per_mol_gomc_box_1_df.to_csv(gomc_box_1_energies_stat_kcal_per_mol_filename, sep=" ", index=False) + e_stat_gomc_box_1_df = pd.DataFrame( + data=e_stat_values_gomc_box_1_list, + columns=e_titles_stat_titles_gomc_box_1_iteration_list, + ) + e_stat_gomc_box_1_df.to_csv( + gomc_box_1_energies_stat_filename, sep=" ", index=False + ) + e_stat_kcal_per_mol_gomc_box_1_df = pd.DataFrame( + data=e_stat_values_gomc_kcal_per_mol_box_1_list, + columns=e_titles_kcal_per_mol_stat_titles_gomc_box_1_iteration_list, + ) + e_stat_kcal_per_mol_gomc_box_1_df.to_csv( + gomc_box_1_energies_stat_kcal_per_mol_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data (Start) # **************************************** - e_values_density_gomc_box_0_STEP_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, '#STEP'].tolist() + e_values_density_gomc_box_0_STEP_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "#STEP"].tolist() + ) # add 0.4 or 0.2 to the GOMC modified timestep for easy sorting later e_values_density_gomc_box_0_MOD_STEP_list = [] for i in range(0, len(e_values_density_gomc_box_0_STEP_list)): if i % 2 == 1: - e_values_density_gomc_box_0_MOD_STEP_iteration = str(float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 / 4) + e_values_density_gomc_box_0_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 / 4 + ) else: - e_values_density_gomc_box_0_MOD_STEP_iteration = str(float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4) - e_values_density_gomc_box_0_MOD_STEP_list.append(e_values_density_gomc_box_0_MOD_STEP_iteration) - e_values_density_gomc_box_0_ENGINE_list = ["GOMC" for i in e_values_density_gomc_box_0_STEP_list] - e_values_density_gomc_box_0_TOTAL_POT_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOTAL'].tolist() - e_values_density_gomc_box_0_TOTAL_ELECT_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOTAL_ELECT'].tolist() - e_values_density_gomc_box_0_PRESSURE_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'PRESSURE'].tolist() + e_values_density_gomc_box_0_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_0_STEP_list[i]) + 0.4 + ) + e_values_density_gomc_box_0_MOD_STEP_list.append( + e_values_density_gomc_box_0_MOD_STEP_iteration + ) + e_values_density_gomc_box_0_ENGINE_list = [ + "GOMC" for i in e_values_density_gomc_box_0_STEP_list + ] + e_values_density_gomc_box_0_TOTAL_POT_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOTAL"].tolist() + ) + e_values_density_gomc_box_0_TOTAL_ELECT_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOTAL_ELECT"].tolist() + ) + e_values_density_gomc_box_0_PRESSURE_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "PRESSURE"].tolist() + ) try: - e_values_density_gomc_box_0_VOLUME_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'VOLUME'].tolist() + e_values_density_gomc_box_0_VOLUME_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "VOLUME"].tolist() + ) except: - e_values_density_gomc_box_0_VOLUME_list = ['NA' - for k_i in range(0, len(e_values_density_gomc_box_0_TOTAL_POT_list))] - e_values_density_gomc_box_0_DENSITY_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'TOT_DENSITY'].tolist() - - e_values_density_gomc_box_0_INTRA_NB_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'INTRA(NB)'].tolist() - e_values_density_gomc_box_0_INTER_LJ_list = e_stat_kcal_per_mol_gomc_box_0_df.loc[:, 'INTER(LJ)'].tolist() + e_values_density_gomc_box_0_VOLUME_list = [ + "NA" + for k_i in range(0, len(e_values_density_gomc_box_0_TOTAL_POT_list)) + ] + e_values_density_gomc_box_0_DENSITY_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "TOT_DENSITY"].tolist() + ) + + e_values_density_gomc_box_0_INTRA_NB_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "INTRA(NB)"].tolist() + ) + e_values_density_gomc_box_0_INTER_LJ_list = ( + e_stat_kcal_per_mol_gomc_box_0_df.loc[:, "INTER(LJ)"].tolist() + ) e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list = [] for i in range(0, len(e_values_density_gomc_box_0_INTRA_NB_list)): - e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list.append(float(e_values_density_gomc_box_0_INTRA_NB_list[i]) - + float(e_values_density_gomc_box_0_INTER_LJ_list[i]) - + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i])) + e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list.append( + float(e_values_density_gomc_box_0_INTRA_NB_list[i]) + + float(e_values_density_gomc_box_0_INTER_LJ_list[i]) + + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i]) + ) if simulation_type in ["GEMC"]: - e_values_density_gomc_box_1_STEP_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, '#STEP'].tolist() + e_values_density_gomc_box_1_STEP_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "#STEP"].tolist() + ) # add 0.4 or 0.2 to the GOMC modified timestep for easy sorting later e_values_density_gomc_box_1_MOD_STEP_list = [] for i in range(0, len(e_values_density_gomc_box_1_STEP_list)): if i % 2 == 1: - e_values_density_gomc_box_1_MOD_STEP_iteration = str(float(e_values_density_gomc_box_1_STEP_list[i]) - + 0.4/4) + e_values_density_gomc_box_1_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_1_STEP_list[i]) + 0.4 / 4 + ) else: - e_values_density_gomc_box_1_MOD_STEP_iteration = str(float(e_values_density_gomc_box_1_STEP_list[i]) - + 0.4) - e_values_density_gomc_box_1_MOD_STEP_list.append(e_values_density_gomc_box_1_MOD_STEP_iteration) - - e_values_density_gomc_box_1_ENGINE_list = ["GOMC" for i in e_values_density_gomc_box_1_STEP_list] - e_values_density_gomc_box_1_TOTAL_POT_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOTAL'].tolist() - e_values_density_gomc_box_1_TOTAL_ELECT_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOTAL_ELECT'].tolist() - e_values_density_gomc_box_1_PRESSURE_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'PRESSURE'].tolist() - e_values_density_gomc_box_1_VOLUME_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'VOLUME'].tolist() + e_values_density_gomc_box_1_MOD_STEP_iteration = str( + float(e_values_density_gomc_box_1_STEP_list[i]) + 0.4 + ) + e_values_density_gomc_box_1_MOD_STEP_list.append( + e_values_density_gomc_box_1_MOD_STEP_iteration + ) + + e_values_density_gomc_box_1_ENGINE_list = [ + "GOMC" for i in e_values_density_gomc_box_1_STEP_list + ] + e_values_density_gomc_box_1_TOTAL_POT_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOTAL"].tolist() + ) + e_values_density_gomc_box_1_TOTAL_ELECT_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOTAL_ELECT"].tolist() + ) + e_values_density_gomc_box_1_PRESSURE_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "PRESSURE"].tolist() + ) + e_values_density_gomc_box_1_VOLUME_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "VOLUME"].tolist() + ) try: - e_values_density_gomc_box_1_VOLUME_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'VOLUME'].tolist() + e_values_density_gomc_box_1_VOLUME_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "VOLUME"].tolist() + ) except: - e_values_density_gomc_box_1_VOLUME_list = ['NA' - for k_i in - range(0, len(e_values_density_gomc_box_1_TOTAL_POT_list))] - - e_values_density_gomc_box_1_DENSITY_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'TOT_DENSITY'].tolist() - e_values_density_gomc_box_1_INTRA_NB_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'INTRA(NB)'].tolist() - e_values_density_gomc_box_1_INTER_LJ_list = e_stat_kcal_per_mol_gomc_box_1_df.loc[:, 'INTER(LJ)'].tolist() + e_values_density_gomc_box_1_VOLUME_list = [ + "NA" + for k_i in range( + 0, len(e_values_density_gomc_box_1_TOTAL_POT_list) + ) + ] + + e_values_density_gomc_box_1_DENSITY_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "TOT_DENSITY"].tolist() + ) + e_values_density_gomc_box_1_INTRA_NB_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "INTRA(NB)"].tolist() + ) + e_values_density_gomc_box_1_INTER_LJ_list = ( + e_stat_kcal_per_mol_gomc_box_1_df.loc[:, "INTER(LJ)"].tolist() + ) e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list = [] for i in range(0, len(e_values_density_gomc_box_1_INTRA_NB_list)): - e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list.append(float(e_values_density_gomc_box_1_INTRA_NB_list[i]) - + float(e_values_density_gomc_box_1_INTER_LJ_list[i]) - + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i])) + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list.append( + float(e_values_density_gomc_box_1_INTRA_NB_list[i]) + + float(e_values_density_gomc_box_1_INTER_LJ_list[i]) + + float(e_values_density_gomc_box_0_TOTAL_ELECT_list[i]) + ) # **************************************** # write the combined NAMD and GOMC data for box 0 (Start) @@ -1702,31 +2469,41 @@ def combine_dcd_files(engine_name, combined_MOD_STEP_box_0 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_gomc_box_0_MOD_STEP_list)): - combined_MOD_STEP_box_0.append(float(e_values_density_gomc_box_0_MOD_STEP_list[i])) + combined_MOD_STEP_box_0.append( + float(e_values_density_gomc_box_0_MOD_STEP_list[i]) + ) combined_ENGINE_box_0 = e_values_density_gomc_box_0_ENGINE_list combined_STEP_box_0 = e_values_density_gomc_box_0_STEP_list combined_TOTAL_POT_box_0 = e_values_density_gomc_box_0_TOTAL_POT_list combined_TOTAL_ELECT_box_0 = e_values_density_gomc_box_0_TOTAL_ELECT_list - combined_TOTAL_VDW_plus_ELECT_box_0 = e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list + combined_TOTAL_VDW_plus_ELECT_box_0 = ( + e_values_density_gomc_box_0_TOTAL_VDW_plus_ELECT_list + ) combined_PRESSURE_box_0 = e_values_density_gomc_box_0_PRESSURE_list combined_VOLUME_box_0 = e_values_density_gomc_box_0_VOLUME_list combined_DENSITY_box_0 = e_values_density_gomc_box_0_DENSITY_list - combined_data_box_0_df = pd.DataFrame({ - "ENGINE": combined_ENGINE_box_0, - "MOD_STEP": combined_MOD_STEP_box_0, - "#STEP": combined_STEP_box_0, - 'TOTAL_POT': combined_TOTAL_POT_box_0, - 'TOTAL_ELECT': combined_TOTAL_ELECT_box_0, - 'TOTAL_VDW_plus_ELECT': combined_TOTAL_VDW_plus_ELECT_box_0, - 'PRESSURE': combined_PRESSURE_box_0, - 'VOLUME': combined_VOLUME_box_0, - 'DENSITY': combined_DENSITY_box_0 - }) - combined_data_sorted_box_0_df = combined_data_box_0_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + combined_data_box_0_df = pd.DataFrame( + { + "ENGINE": combined_ENGINE_box_0, + "MOD_STEP": combined_MOD_STEP_box_0, + "#STEP": combined_STEP_box_0, + "TOTAL_POT": combined_TOTAL_POT_box_0, + "TOTAL_ELECT": combined_TOTAL_ELECT_box_0, + "TOTAL_VDW_plus_ELECT": combined_TOTAL_VDW_plus_ELECT_box_0, + "PRESSURE": combined_PRESSURE_box_0, + "VOLUME": combined_VOLUME_box_0, + "DENSITY": combined_DENSITY_box_0, + } + ) + combined_data_sorted_box_0_df = combined_data_box_0_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) combined_data_sorted_box_0_df.drop("MOD_STEP", axis=1, inplace=True) - combined_data_sorted_box_0_df.to_csv(combined_box_0_data_filename, sep=" ", index=False) + combined_data_sorted_box_0_df.to_csv( + combined_box_0_data_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data for box 0 (Start) @@ -1741,31 +2518,43 @@ def combine_dcd_files(engine_name, combined_MOD_STEP_box_1 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_gomc_box_1_MOD_STEP_list)): - combined_MOD_STEP_box_1.append(float(e_values_density_gomc_box_1_MOD_STEP_list[i])) + combined_MOD_STEP_box_1.append( + float(e_values_density_gomc_box_1_MOD_STEP_list[i]) + ) combined_ENGINE_box_1 = e_values_density_gomc_box_1_ENGINE_list combined_STEP_box_1 = e_values_density_gomc_box_1_STEP_list combined_TOTAL_POT_box_1 = e_values_density_gomc_box_1_TOTAL_POT_list - combined_TOTAL_ELECT_box_1 = e_values_density_gomc_box_1_TOTAL_ELECT_list - combined_TOTAL_VDW_plus_ELECT_box_1 = e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list + combined_TOTAL_ELECT_box_1 = ( + e_values_density_gomc_box_1_TOTAL_ELECT_list + ) + combined_TOTAL_VDW_plus_ELECT_box_1 = ( + e_values_density_gomc_box_1_TOTAL_VDW_plus_ELECT_list + ) combined_PRESSURE_box_1 = e_values_density_gomc_box_1_PRESSURE_list combined_VOLUME_box_1 = e_values_density_gomc_box_1_VOLUME_list combined_DENSITY_box_1 = e_values_density_gomc_box_1_DENSITY_list - combined_data_box_1_df = pd.DataFrame({ - "ENGINE": combined_ENGINE_box_1, - "MOD_STEP": combined_MOD_STEP_box_1, - "#STEP": combined_STEP_box_1, - 'TOTAL_POT': combined_TOTAL_POT_box_1, - 'TOTAL_ELECT': combined_TOTAL_ELECT_box_1, - 'TOTAL_VDW_plus_ELECT': combined_TOTAL_VDW_plus_ELECT_box_1, - 'PRESSURE': combined_PRESSURE_box_1, - 'VOLUME': combined_VOLUME_box_1, - 'DENSITY': combined_DENSITY_box_1 - }) - combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + combined_data_box_1_df = pd.DataFrame( + { + "ENGINE": combined_ENGINE_box_1, + "MOD_STEP": combined_MOD_STEP_box_1, + "#STEP": combined_STEP_box_1, + "TOTAL_POT": combined_TOTAL_POT_box_1, + "TOTAL_ELECT": combined_TOTAL_ELECT_box_1, + "TOTAL_VDW_plus_ELECT": combined_TOTAL_VDW_plus_ELECT_box_1, + "PRESSURE": combined_PRESSURE_box_1, + "VOLUME": combined_VOLUME_box_1, + "DENSITY": combined_DENSITY_box_1, + } + ) + combined_data_sorted_box_1_df = combined_data_box_1_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) combined_data_sorted_box_1_df.drop("MOD_STEP", axis=1, inplace=True) - combined_data_sorted_box_1_df.to_csv(combined_box_1_data_filename, sep=" ", index=False) + combined_data_sorted_box_1_df.to_csv( + combined_box_1_data_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD and GOMC data for box 1 (end) @@ -1774,7 +2563,9 @@ def combine_dcd_files(engine_name, # **************************************** # write the combined NAMD and GOMC data (end) # **************************************** - print("INFO: Finished all data extraction for GOMC-only runs and exported into muliple files and types") + print( + "INFO: Finished all data extraction for GOMC-only runs and exported into muliple files and types" + ) # **************************************** # **************************************** @@ -1782,57 +2573,91 @@ def combine_dcd_files(engine_name, # **************************************** # **************************************** -elif simulation_engine_options == 'NAMD-only': +elif simulation_engine_options == "NAMD-only": run_no = 0 # run number is always 1 current_step = 0 - print("INFO: Started all data extraction for NAMD-only runs and exported into multiple files and types") + print( + "INFO: Started all data extraction for NAMD-only runs and exported into multiple files and types" + ) # ************************************* # get NAMD- only energies # ***********************initial_Energies************** no_namd_box_0_directory = str(gomc_or_namd_only_log_filename) - read_namd_box_0_log_file = open(gomc_or_namd_only_log_filename, 'r').readlines() + read_namd_box_0_log_file = open( + gomc_or_namd_only_log_filename, "r" + ).readlines() for i, line in enumerate(read_namd_box_0_log_file): split_line = line.split() - if line.startswith('TCL:') is True: - if split_line[0] == 'TCL:' and len(split_line) >= 5: - if split_line[1] == 'Minimizing' and split_line[2] == 'for' and split_line[4] == 'steps': + if line.startswith("TCL:") is True: + if split_line[0] == "TCL:" and len(split_line) >= 5: + if ( + split_line[1] == "Minimizing" + and split_line[2] == "for" + and split_line[4] == "steps" + ): namd_minimizing_steps_box_0 = float(split_line[3]) - current_step += (-1 * namd_minimizing_steps_box_0) - - e_titles_namd_box_0_iteration, \ - e_titles_namd_box_0_density_iteration, \ - e_values_namd_box_0_iteration, \ - e_values_namd_box_0_density_list, \ - e_property_values_namd_box_0_list = get_namd_log_data(read_namd_box_0_log_file, - namd_box_0_data_file, - run_no) - - e_values_density_namd_box_0_df = pd.DataFrame(data=e_values_namd_box_0_density_list, - columns=e_titles_namd_box_0_density_iteration) - e_values_density_namd_box_0_df.to_csv(namd_box_0_data_density_filename, sep=" ", index=False) + current_step += -1 * namd_minimizing_steps_box_0 + + ( + e_titles_namd_box_0_iteration, + e_titles_namd_box_0_density_iteration, + e_values_namd_box_0_iteration, + e_values_namd_box_0_density_list, + e_property_values_namd_box_0_list, + ) = get_namd_log_data( + read_namd_box_0_log_file, namd_box_0_data_file, run_no + ) + + e_values_density_namd_box_0_df = pd.DataFrame( + data=e_values_namd_box_0_density_list, + columns=e_titles_namd_box_0_density_iteration, + ) + e_values_density_namd_box_0_df.to_csv( + namd_box_0_data_density_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD data (Start) # **************************************** - e_values_density_namd_box_0_STEP_list = e_values_density_namd_box_0_df.loc[:, '#TS'].tolist() + e_values_density_namd_box_0_STEP_list = e_values_density_namd_box_0_df.loc[ + :, "#TS" + ].tolist() # add 0.1 to the NAMD modified timestep for easy sorting later - e_values_density_namd_box_0_MOD_STEP_list = [str(float(i) + 0.2) for i in e_values_density_namd_box_0_STEP_list] - e_values_density_namd_box_0_ENGINE_list = ["NAMD" for i in e_values_density_namd_box_0_STEP_list] - e_values_density_namd_box_0_TOTAL_POT_list = e_values_density_namd_box_0_df.loc[:, 'POTENTIAL'].tolist() - e_values_density_namd_box_0_TOTAL_ELECT_list = e_values_density_namd_box_0_df.loc[:, 'ELECT'].tolist() - e_values_density_namd_box_0_TOTAL_VDW_list = e_values_density_namd_box_0_df.loc[:, 'VDW'].tolist() - e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list = [float(e_values_density_namd_box_0_TOTAL_VDW_list[k_i]) + - float(e_values_density_namd_box_0_TOTAL_ELECT_list[k_i]) - for k_i in range(0, len(e_values_density_namd_box_0_TOTAL_VDW_list))] - e_values_density_namd_box_0_PRESSURE_list = e_values_density_namd_box_0_df.loc[:, 'PRESSURE'].tolist() - e_values_density_namd_box_0_VOLUME_list = e_values_density_namd_box_0_df.loc[:, 'VOLUME'].tolist() - e_values_density_namd_box_0_DENSITY_list = e_values_density_namd_box_0_df.loc[:, 'DENSITY'].tolist() + e_values_density_namd_box_0_MOD_STEP_list = [ + str(float(i) + 0.2) for i in e_values_density_namd_box_0_STEP_list + ] + e_values_density_namd_box_0_ENGINE_list = [ + "NAMD" for i in e_values_density_namd_box_0_STEP_list + ] + e_values_density_namd_box_0_TOTAL_POT_list = ( + e_values_density_namd_box_0_df.loc[:, "POTENTIAL"].tolist() + ) + e_values_density_namd_box_0_TOTAL_ELECT_list = ( + e_values_density_namd_box_0_df.loc[:, "ELECT"].tolist() + ) + e_values_density_namd_box_0_TOTAL_VDW_list = ( + e_values_density_namd_box_0_df.loc[:, "VDW"].tolist() + ) + e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list = [ + float(e_values_density_namd_box_0_TOTAL_VDW_list[k_i]) + + float(e_values_density_namd_box_0_TOTAL_ELECT_list[k_i]) + for k_i in range(0, len(e_values_density_namd_box_0_TOTAL_VDW_list)) + ] + e_values_density_namd_box_0_PRESSURE_list = ( + e_values_density_namd_box_0_df.loc[:, "PRESSURE"].tolist() + ) + e_values_density_namd_box_0_VOLUME_list = ( + e_values_density_namd_box_0_df.loc[:, "VOLUME"].tolist() + ) + e_values_density_namd_box_0_DENSITY_list = ( + e_values_density_namd_box_0_df.loc[:, "DENSITY"].tolist() + ) # **************************************** # write the combined NAMD data (end) @@ -1842,41 +2667,51 @@ def combine_dcd_files(engine_name, namd_MOD_STEP_box_0 = [] # combine MOD_STEP data for i in range(0, len(e_values_density_namd_box_0_MOD_STEP_list)): - namd_MOD_STEP_box_0.append(float(e_values_density_namd_box_0_MOD_STEP_list[i])) + namd_MOD_STEP_box_0.append( + float(e_values_density_namd_box_0_MOD_STEP_list[i]) + ) namd_ENGINE_box_0 = e_values_density_namd_box_0_ENGINE_list namd_STEP_box_0 = e_values_density_namd_box_0_STEP_list namd_TOTAL_POT_box_0 = e_values_density_namd_box_0_TOTAL_POT_list namd_TOTAL_ELECT_box_0 = e_values_density_namd_box_0_TOTAL_ELECT_list - namd_TOTAL_VDW_plus_ELECT_box_0 = e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list + namd_TOTAL_VDW_plus_ELECT_box_0 = ( + e_values_density_namd_box_0_TOTAL_VDW_plus_ELECT_list + ) namd_PRESSURE_box_0 = e_values_density_namd_box_0_PRESSURE_list namd_VOLUME_box_0 = e_values_density_namd_box_0_VOLUME_list namd_DENSITY_box_0 = e_values_density_namd_box_0_DENSITY_list - namd_data_box_0_df = pd.DataFrame({ - "#ENGINE": namd_ENGINE_box_0, - "MOD_STEP": namd_MOD_STEP_box_0, - "STEP": namd_STEP_box_0, - 'TOTAL_POT': namd_TOTAL_POT_box_0, - 'TOTAL_ELECT': namd_TOTAL_ELECT_box_0, - 'TOTAL_VDW_plus_ELECT': namd_TOTAL_VDW_plus_ELECT_box_0, - 'PRESSURE': namd_PRESSURE_box_0, - 'VOLUME': namd_VOLUME_box_0, - 'DENSITY': namd_DENSITY_box_0 - }) - namd_data_sorted_box_0_df = namd_data_box_0_df.sort_values(by=["MOD_STEP"], axis=0, ascending=True) + namd_data_box_0_df = pd.DataFrame( + { + "#ENGINE": namd_ENGINE_box_0, + "MOD_STEP": namd_MOD_STEP_box_0, + "STEP": namd_STEP_box_0, + "TOTAL_POT": namd_TOTAL_POT_box_0, + "TOTAL_ELECT": namd_TOTAL_ELECT_box_0, + "TOTAL_VDW_plus_ELECT": namd_TOTAL_VDW_plus_ELECT_box_0, + "PRESSURE": namd_PRESSURE_box_0, + "VOLUME": namd_VOLUME_box_0, + "DENSITY": namd_DENSITY_box_0, + } + ) + namd_data_sorted_box_0_df = namd_data_box_0_df.sort_values( + by=["MOD_STEP"], axis=0, ascending=True + ) namd_data_sorted_box_0_df.drop("MOD_STEP", axis=1, inplace=True) - namd_data_sorted_box_0_df.to_csv(combined_box_0_data_filename, sep=" ", index=False) - + namd_data_sorted_box_0_df.to_csv( + combined_box_0_data_filename, sep=" ", index=False + ) # **************************************** # write the combined NAMD data (end) # **************************************** - print("INFO: Finished all data extraction for NAMD-only runs and exported into multiple files and types") + print( + "INFO: Finished all data extraction for NAMD-only runs and exported into multiple files and types" + ) # **************************************** # **************************************** # NAMD-only data extraction (end) # **************************************** # **************************************** - diff --git a/docs/_images/CatDCD_instructions b/docs/_images/CatDCD_instructions index 7922001..ae23db8 100644 --- a/docs/_images/CatDCD_instructions +++ b/docs/_images/CatDCD_instructions @@ -1,5 +1,5 @@ ============ -Instructions +Instructions ============ CatDCD - Concatenate DCD software @@ -63,16 +63,16 @@ is present (see below). -num: When present, no output file will be written. Instead, CatDCD prints the number of frames in each file, then exits. - + -i indexfile should contain the (zero-based) indices of the atoms in the dcd files whose coordinates are to appear in the output file. The indices should be ASCII text, separated by whitespace. --first first: Specify the first frame to be written to the output file. +-first first: Specify the first frame to be written to the output file. Default is 1 (write starting from the first frame read). --last last: Specify the last frame to write. Default is the last frame in +-last last: Specify the last frame to write. Default is the last frame in the last file. -stride stride: Specify how many frames to skip when writing. Default is 1 @@ -83,7 +83,7 @@ the last file. The input files may be any combination of charmm or xplor format, and big- or little-endianness. However, they must all have the same number of atoms. -The code uses only standard C library commands and should thus be portable to +The code uses only standard C library commands and should thus be portable to pretty much anywhere, including non-Unix platforms (I haven't tested this ;-) * EXAMPLES * @@ -97,18 +97,18 @@ catdcd -o eq_all.dcd eq01.dcd eq02.dcd eq03.dcd Combines eq01.dcd, eq02.dcd, and eq03.dcd into eq_all.dcd. -catdcd -o eq_pro.dcd -i protein.ind eq01.dcd +catdcd -o eq_pro.dcd -i protein.ind eq01.dcd - Takes only the coordinates corresponding to the indices in + Takes only the coordinates corresponding to the indices in 'protein.ind' from eq01.dcd and writes them to eq_pro.dcd catdcd -o eq_first.dcd -first 1000 -last 2000 -stride 10 eq01.dcd eq02.dcd - + After skipping 999 frames, writes the 1000 frame and every 10th - subsequent frame to eq_first.dcd, until a total of 2000 frames - have been read. + subsequent frame to eq_first.dcd, until a total of 2000 frames + have been read. -* Installation * +* Installation * Unpack the distribution package. A directory named catdcd will be created. Enter that directory and type "make". To use a different compiler or compile flags, edit the first three definitions in the Makefile. @@ -121,9 +121,9 @@ New in version 3.0: * Now uses the VMD plugins for file reading. This makes it very easy to adapt the program to handle other file formats. * Use of VMD file readers means fixed atoms are handled automatically. - + New in version 2.0: - * New command line interface: The -o option is now required for + * New command line interface: The -o option is now required for setting the output file. * New -num option to print the number of frames in each file, as well as the total. @@ -136,7 +136,7 @@ New in Version 1.3: * Fixed bug in reading of opposite-endian Charmm-format dcd files. New in Version 1.2: - * Fixed serious bug that appeared in 1.1; only frames from the first + * Fixed serious bug that appeared in 1.1; only frames from the first input file were being written to the output file. New in Version 1.1: @@ -146,7 +146,7 @@ New in Version 1.1: -Note: There are 2 different licenses, one (1) for NAMD_GOMC and +Note: There are 2 different licenses, one (1) for NAMD_GOMC and one (1) the CatDCD - Concatenate DCD files diff --git a/docs/_images/CatDCD_license b/docs/_images/CatDCD_license index 401cb1b..62c73f3 100644 --- a/docs/_images/CatDCD_license +++ b/docs/_images/CatDCD_license @@ -1,4 +1,4 @@ -Note: There are 2 different licenses, one (1) for NAMD_GOMC and +Note: There are 2 different licenses, one (1) for NAMD_GOMC and one (1) the CatDCD - Concatenate DCD files diff --git a/docs/_images/MDMC_Python.bib b/docs/_images/MDMC_Python.bib deleted file mode 100644 index 75ac097..0000000 --- a/docs/_images/MDMC_Python.bib +++ /dev/null @@ -1,13 +0,0 @@ -@Inbook{MDMC_PYTHON_2021, - author = "Crawford, Brad and Potoff, Jeffrey and TBD", - editor = "TBD", - title = "TBD", - bookTitle = "TBD", - year = "2021", - publisher = "TBD", - address = "TBD", - pages = "TBD", - isbn = "TBD", - doi = "TBD", - url = "https://github.com/bc118/NAMD_GOMC" -} diff --git a/docs/_images/MDMC_Python.ris b/docs/_images/MDMC_Python.ris deleted file mode 100644 index d287183..0000000 --- a/docs/_images/MDMC_Python.ris +++ /dev/null @@ -1,24 +0,0 @@ -TY - -AU - Crawford, Brad -AU - Potoff, Jeffrey -AU - TBD -AU - -AU - -AU - -ED - -ED - -ED - -PY - 2021 -DA - 2021// -TI - -BT - -SP - -EP - -PB - -CY - -AB - -SN - -UR - https://github.com/bc118/NAMD_GOMC -DO - -ID - MDMC_PYTHON_2021 -ER - diff --git a/docs/_images/NAMD_GOMC_license b/docs/_images/NAMD_GOMC_license index 4b89943..508642b 100644 --- a/docs/_images/NAMD_GOMC_license +++ b/docs/_images/NAMD_GOMC_license @@ -1,4 +1,4 @@ -Note: There are 2 different licenses, one (1) for NAMD_GOMC and +Note: There are 2 different licenses, one (1) for NAMD_GOMC and one (1) the CatDCD - Concatenate DCD files NAMD_GOMC LICENSE: @@ -677,5 +677,3 @@ may consider it more useful to permit linking proprietary applications with the library. If this is what you want to do, use the GNU Lesser General Public License instead of this License. But first, please read . - - diff --git a/docs/_images/pyMDMC_GITHUB_2021.bib b/docs/_images/pyMDMC_GITHUB_2021.bib new file mode 100644 index 0000000..ace63c1 --- /dev/null +++ b/docs/_images/pyMDMC_GITHUB_2021.bib @@ -0,0 +1,6 @@ +@Inbook{pyMDMC_GITHUB_2021, + author = "Crawford, B. and Potoff J.", + title = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD", + year = "2021", + url = "https://github.com/GOMC-WSU/py-MCMD" +} diff --git a/docs/_images/pyMDMC_GITHUB_2021.ris b/docs/_images/pyMDMC_GITHUB_2021.ris new file mode 100644 index 0000000..00276d1 --- /dev/null +++ b/docs/_images/pyMDMC_GITHUB_2021.ris @@ -0,0 +1,24 @@ +TY - +AU - Crawford, B. +AU - Potoff J. +AU - +AU - +AU - +AU - +ED - +ED - +ED - +PY - 2021 +DA - 2021 +TI - +BT - +SP - +EP - +PB - +CY - +AB - +SN - +UR - https://github.com/GOMC-WSU/py-MCMD +DO - +ID - pyMDMC_GITHUB_2021 +ER - diff --git a/docs/_images/pyMDMC_PAPER_2022.bib b/docs/_images/pyMDMC_PAPER_2022.bib new file mode 100644 index 0000000..373332e --- /dev/null +++ b/docs/_images/pyMDMC_PAPER_2022.bib @@ -0,0 +1,7 @@ +@article{pyMDMC_PAPER_2021, + author = "Soroush Barhaghi, M. and Crawford, B. and Schwing, G. and Hardy D.J. and Stone, J.E. and Schwiebert L. and Potoff J. and and Tajkhorshid E.", + title = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD", + year = "2021", + doi = "https://doi.org/10.1021/acs.jctc.1c00911" + url = "https://pubs.acs.org/doi/10.1021/acs.jctc.1c00911" +} diff --git a/docs/_images/pyMDMC_PAPER_2022.ris b/docs/_images/pyMDMC_PAPER_2022.ris new file mode 100644 index 0000000..d0cac22 --- /dev/null +++ b/docs/_images/pyMDMC_PAPER_2022.ris @@ -0,0 +1,25 @@ +TY - +AU - Soroush Barhaghi, M. +AU - Crawford, B. +AU - Schwing, G. +AU - Hardy D.J. +AU - Stone, J.E. +AU - Schwiebert L. +AU - Potoff J. +ED - Tajkhorshid E. +ED - +ED - +PY - 2022 +DA - 2022 +TI - +BT - +SP - +EP - +PB - +CY - +AB - +SN - +UR - https://pubs.acs.org/doi/10.1021/acs.jctc.1c00911 +DO - https://doi.org/10.1021/acs.jctc.1c00911 +ID - pyMDMC_PAPER_2021 +ER - diff --git a/docs/_images/pyMDMC_ZENODO_2021.bib b/docs/_images/pyMDMC_ZENODO_2021.bib new file mode 100644 index 0000000..76b7c74 --- /dev/null +++ b/docs/_images/pyMDMC_ZENODO_2021.bib @@ -0,0 +1,7 @@ +@Inbook{pyMDMC_ZENODO_2021, + author = "Crawford, B. and Potoff J.", + title = "py-MCMD: Initial Release", + year = "2021", + url = "https://doi.org/10.5281/zenodo.5142483" + doi = "10.5281/zenodo.5142483" +} diff --git a/docs/_images/pyMDMC_ZENODO_2021.ris b/docs/_images/pyMDMC_ZENODO_2021.ris new file mode 100644 index 0000000..f9b1d89 --- /dev/null +++ b/docs/_images/pyMDMC_ZENODO_2021.ris @@ -0,0 +1,24 @@ +TY - +AU - Crawford, B. +AU - Potoff J. +AU - +AU - +AU - +AU - +ED - +ED - +ED - +PY - 2021 +DA - 2021 +TI - +BT - +SP - +EP - +PB - +CY - +AB - +SN - +UR - https://doi.org/10.5281/zenodo.5142483 +DO - 10.5281/zenodo.5142483 +ID - pyMDMC_ZENODO_2021 +ER - diff --git a/docs/citing_MDMC_PYTHON.rst b/docs/citing_MDMC_PYTHON.rst index 40815e7..da737e2 100644 --- a/docs/citing_MDMC_PYTHON.rst +++ b/docs/citing_MDMC_PYTHON.rst @@ -1,27 +1,63 @@ -Citing the MDMC Python code +Citing the py-MDMC Python code ============= -If you use this code for your research, please cite `the GitHub repository `_: +If you use this code for your research, please cite `the GitHub repository `_ and the zenodo DOI (`_): **ACS** - Crawford, B. and Potoff J. NAMD_GOMC - A Hybrid MD/MC Simulation Software, https://github.com/bc118/NAMD_GOMC, 2021. + Crawford, B. and Potoff J. py-MCMD: Initial Release, `_, 2021. **BibTeX** .. code-block:: bibtex - @Inbook{MDMC_PYTHON_2021, + @Inbook{pyMDMC_ZENODO_2021, author = "Crawford, B. and Potoff J.", - title = "NAMD_GOMC - A Hybrid MD/MC Simulation Software", + title = "py-MCMD: Initial Release", year = "2021", - url = "https://github.com/bc118/NAMD_GOMC" + url = "https://doi.org/10.5281/zenodo.5142483" + doi = "10.5281/zenodo.5142483" } -Download as :download:`BibTeX <_images/MDMC_Python.bib>` or :download:`RIS <_images/MDMC_Python.ris>` +Download as :download:`BibTeX <_images/pyMDMC_ZENODO_2021.bib>` or :download:`RIS <_images/pyMDMC_ZENODO_2021.ris>` +**ACS** + + Crawford, B. and Potoff J. py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD, `_, 2021. + +**BibTeX** + +.. code-block:: bibtex -We also recommend citing the `Concatenate DCD files (CatDCD) `_ from the Theoretical and Computational Biophysics Group at the University of Illinois at Urbana-Champaign. + @Inbook{pyMDMC_GITHUB_2021, + author = "Crawford, B. and Potoff J.", + title = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD", + year = "2021", + url = "https://github.com/GOMC-WSU/py-MCMD" + } + +Download as :download:`BibTeX <_images/pyMDMC_GITHUB_2021.bib>` or :download:`RIS <_images/pyMDMC_GITHUB_2021.ris>` + +**ACS** + + Soroush Barhaghi, M.; Crawford, B.; Schwing, G.; Hardy D.J.; Stone, J.E.; Schwiebert L.; Potoff J.; Tajkhorshid E. py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD, `_, 2022. + +**BibTeX** + +.. code-block:: bibtex + + @Inbook{pyMDMC_PAPER_2021, + author = " Soroush Barhaghi, M. and Crawford, B. and Schwing, G. and Hardy D.J. and Stone, J.E. and Schwiebert L. and Potoff J. and and Tajkhorshid E.", + title = "py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamics Simulations with GOMC and NAMD", + year = "2022", + doi = "https://doi.org/10.1021/acs.jctc.1c00911" + url = "https://pubs.acs.org/doi/10.1021/acs.jctc.1c00911" + } + +Download as :download:`BibTeX <_images/pyMDMC_PAPER_2022.bib>` or :download:`RIS <_images/pyMDMC_PAPER_2022.ris>` + + +We also recommend citing the `Concatenate DCD files (CatDCD) `_ from the Theoretical and Computational Biophysics Group at the University of Illinois at Urbana-Champaign. **ACS** @@ -36,4 +72,4 @@ We also recommend citing the `Concatenate DCD files (CatDCD)

This page was generated from - {{ docname|e }}. + {{ docname|e }}.
Interactive online version: - Binder badge. + Binder badge.

@@ -110,46 +110,48 @@ """ autosummary_generate = True -autodoc_default_flags = ['members', ] +autodoc_default_flags = [ + "members", +] numpydoc_class_members_toctree = False # stackoverflow.com/questions/12206334 numpydoc_show_class_members = False numpydoc_show_inherited_class_members = False -_python_doc_base = 'http://docs.python.org/3.9' +_python_doc_base = "http://docs.python.org/3.9" intersphinx_mapping = { _python_doc_base: None, - 'http://docs.scipy.org/doc/numpy': None, - 'http://docs.scipy.org/doc/scipy/reference': None, - 'http://scikit-learn.org/stable': None + "http://docs.scipy.org/doc/numpy": None, + "http://docs.scipy.org/doc/scipy/reference": None, + "http://scikit-learn.org/stable": None, } # Add any paths that contain templates here, relative to this directory. -templates_path = ['_templates'] +templates_path = ["_templates"] # The suffix of source filenames. -source_suffix = '.rst' +source_suffix = ".rst" # The encoding of source files. # source_encoding = 'utf-8-sig' # The master toctree document. -master_doc = 'index' +master_doc = "index" # General information about the project. -project = 'NAMD_GOMC' -author = 'Crawford, B. and Potoff J.' -copyright = u'2021' +project = "py-MCMD" +author = "Crawford, B. and Potoff J." +copyright = "2021" # The version info for the project you're documenting, acts as replacement for # |version| and |release|, also used in various other places throughout the # built documents. # -version = '0.0.1' -release = '0.0.1' +version = "0.0.2" +release = "0.0.2" # The language for content autogenerated by Sphinx. Refer to documentation @@ -164,7 +166,7 @@ # List of patterns, relative to source directory, that match files and # directories to ignore when looking for source files. -exclude_patterns = ['_build', '**.ipynb_checkpoints'] +exclude_patterns = ["_build", "**.ipynb_checkpoints"] # The reST default role (used for this markup: `text`) to use for all # documents. @@ -182,7 +184,7 @@ # show_authors = False # The name of the Pygments (syntax highlighting) style to use. -pygments_style = 'sphinx' +pygments_style = "sphinx" # A list of ignored prefixes for module index sorting. # modindex_common_prefix = [] @@ -198,10 +200,8 @@ # html_theme = 'default' import sphinx_rtd_theme -html_theme = 'sphinx_rtd_theme' -hhtml_theme_path = [ - sphinx_rtd_theme.get_html_theme_path() -] +html_theme = "sphinx_rtd_theme" +hhtml_theme_path = [sphinx_rtd_theme.get_html_theme_path()] # Theme options are theme-specific and customize the look and feel of a theme # further. For a list of options available for each theme, see the @@ -230,7 +230,7 @@ # Add any paths that contain custom static files (such as style sheets) here, # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". -html_static_path = ['_static'] +html_static_path = ["_static"] # Add any extra paths that contain custom files (such as robots.txt or # .htaccess) here, relative to this directory. These files are copied @@ -247,7 +247,13 @@ # Custom sidebar templates, maps document names to template names. html_sidebars = { - '**': ['globaltoc.html', 'sourcelink.html', 'searchbox.html', 'relations.html', 'sourcelink.html'], + "**": [ + "globaltoc.html", + "sourcelink.html", + "searchbox.html", + "relations.html", + "sourcelink.html", + ], } # Additional templates that should be rendered to pages, maps page names to @@ -281,4 +287,4 @@ # html_file_suffix = None # Output file base name for HTML help builder. -htmlhelp_basename = 'NAMD_GOMC_doc' +htmlhelp_basename = "py-MCMD_doc" diff --git a/docs/docs-env.yml b/docs/docs-env.yml index 56e5b2f..d759be5 100644 --- a/docs/docs-env.yml +++ b/docs/docs-env.yml @@ -1,4 +1,4 @@ -name: NAMD_GOMC-docs +name: py-MDMD-docs channels: - conda-forge dependencies: @@ -9,7 +9,7 @@ dependencies: - lark-parser - requests - mock - - anaconda + - anaconda - sphinxcontrib - pip: - sphinx_rtd_theme diff --git a/docs/example_simulation.rst b/docs/example_simulation.rst index 7a399b3..b3e6c5a 100644 --- a/docs/example_simulation.rst +++ b/docs/example_simulation.rst @@ -2,14 +2,14 @@ Example Simulation =============== -Video of Hybrid MD/MC: Inserting Water in BPTI's Binding Pocket +Video of Hybrid MD/MC: Inserting Water in BPTI's Binding Pocket --------------- -Utilizing the hybrid molecular dynamics (MD)/Monte Carlo (MC) simulation, water is inserted into the buried binding pocket of the bovine pancreatic trypsin inhibitor (BPTI). The hybrid NAMD/GOMC simulation produces water in the binding pocket orders of magnitude faster than when using MD alone. The hybrid simulation is capable of producing faster and more accurate results because the MC moves allow waters to be quickly inserted and do not solely rely on diffusion of water into the BPTI binding pocket. +Utilizing the hybrid molecular dynamics (MD)/Monte Carlo (MC) or py-MCMD simulation, water is inserted into the buried binding pocket of the bovine pancreatic trypsin inhibitor (BPTI). The hybrid py-MCMD (NAMD/GOMC) simulation produces water in the binding pocket orders of magnitude faster than when using MD alone. The hybrid simulation is capable of producing faster and more accurate results because the MC moves allow waters to be quickly inserted and do not solely rely on diffusion of water into the BPTI binding pocket. -The **green** protein and waters (spheres) represent the crystallography data. The **purple** protein and **red/white** water are the simulated system. +The **green** protein and waters (spheres) represent the crystallography data. The **purple** protein and **red/white** water are the simulated system. -.. raw:: html +.. raw:: html \ No newline at end of file + diff --git a/docs/generating_systems.rst b/docs/generating_systems.rst index 4c9cfad..36d5a05 100644 --- a/docs/generating_systems.rst +++ b/docs/generating_systems.rst @@ -5,9 +5,9 @@ Generating Systems Traditional Chemical Engineering Systems ------- -Traditional chemical engineering systems are not proteins or other molecules requiring multiple residue names per molecule. For these systems, the `Molecular Simulation Design Framework (MoSDeF) `_ software is **capable of generating all the PSF, PDB, and force field files required for the GOMC and NAMD simulations**, covering a variety of different systems. The **MoSDeF** software creates all these files using only tens of lines of Python code. -The **MoSDeF** tools permit simulation reproducibility across a variety of simulation engines, -removing the requirement of expert knowledge in all the engines to repeat, continue, or advance the existing research. +Traditional chemical engineering systems are not proteins or other molecules requiring multiple residue names per molecule. For these systems, the `Molecular Simulation Design Framework (MoSDeF) `_ software is **capable of generating all the PSF, PDB, and force field files required for the GOMC and NAMD simulations**, covering a variety of different systems. The **MoSDeF** software creates all these files using only tens of lines of Python code. +The **MoSDeF** tools permit simulation reproducibility across a variety of simulation engines, +removing the requirement of expert knowledge in all the engines to repeat, continue, or advance the existing research. Additionally, the **MoSDeF** software permits the auto-generation of numerous and distinct systems, allowing large-scale screening of materials and chemicals via `Signac `_ to manage the simulations and data. The `MoSDeF `_ software ecosystem contains the following packages: @@ -18,12 +18,11 @@ The `MoSDeF `_ software ecosystem contains the following pac * `GMSO `_ -- Flexible storage of chemical topology for molecular simulation -The using MoSDeF software to setup the GOMC and NAMD simulations, is made even easier via the `GOMC-MoSDeF documentation `_, which contains links to the GOMC Manual, and the `GOMC-MoSDeF tutorial files `_ with `GOMC YouTube tutorial videos `_. The GOMC-MoSDeF's PDB, PSF, and force field files are identical to the NAMD files for the traditional chemical engineering simulations, unless there are fixed bonds and angles in the GOMC force field files. Changing the fixed bonds and angles between the GOMC and NAMD force field files is as simple as changing one (1) variable and rerunning that line of code. - +The using MoSDeF software to setup the GOMC and NAMD simulations, is made even easier via the `GOMC-MoSDeF documentation `_, which contains links to the GOMC Manual, and the `GOMC-MoSDeF tutorial files `_ with `GOMC YouTube tutorial videos `_. The GOMC-MoSDeF's PDB, PSF, and force field files are identical to the NAMD files for the traditional chemical engineering simulations, unless there are fixed bonds and angles in the GOMC force field files. Changing the fixed bonds and angles between the GOMC and NAMD force field files is as simple as changing one (1) variable and rerunning that line of code. -Non-Traditional Chemical Engineering Systems + +Non-Traditional Chemical Engineering Systems ------- Non-Traditional chemical engineering systems are proteins or other molecules requiring multiple residue names per molecule. Currently, the GOMC-MoSDeF software is not compatible with these systems. Therefore, these systems should be constructed using different software, such as `Visual Molecular Dynamics (VMD) `_, or other similar software. - diff --git a/docs/index.rst b/docs/index.rst index a1c9fff..fdf6a4f 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -3,20 +3,20 @@ py-MCMD: A Python Library for Performing Hybrid Monte Carlo - Molecular Dynamic -------- This Python code enables hybrid molecular dynamics/Monte Carlo (MD/MC) simulations using `NAMD `_ and the `GPU Optimized Monte Carlo (GOMC) `_ software. -The Python code allows users to switch back and forth between the NAMD and GOMC simulation engines, with one (1) iteration of each NAMD and GOMC consisting of a cycle. The user programs the number of cycles and the number of NAMD and GOMC steps per cycle. Combining the MD/MC simulations allows the best of both types of simulations while minimizing the downsides, and in some cases, enabling simulations that were previously not feasible. This code allows the modification of the NAMD and GOMC control files, maximizing user flexibility and functionality. +The Python code allows users to switch back and forth between the NAMD and GOMC simulation engines, with one (1) iteration of each NAMD and GOMC consisting of a cycle. The user programs the number of cycles and the number of NAMD and GOMC steps per cycle. Combining the MD/MC simulations allows the best of both types of simulations while minimizing the downsides, and in some cases, enabling simulations that were previously not feasible. This code allows the modification of the NAMD and GOMC control files, maximizing user flexibility and functionality. -This code distribution also contains the `Concatenate DCD (CatDCD) `_ software. -The NAMD_GOMC Python package consists of two (2) different licenses (:download:`Combined_Licenses <../LICENSE>`), or they are available individually: +This code distribution also contains the `Concatenate DCD (CatDCD) `_ software. +The py-MCMD Python package consists of two (2) different licenses (:download:`Combined_Licenses <../LICENSE>`), or they are available individually: -* One (1) license is for the NAMD_GOMC hybrid Python code, which initiates and organizes the individual simulations. +* One (1) license is for the NAMD_GOMC hybrid Python code, which initiates and organizes the individual simulations. Download as :download:`NAMD_GOMC_license <_images/NAMD_GOMC_license>` .. image:: https://img.shields.io/badge/License-GPLv3-blue.svg :target: www.gnu.org/licenses/gpl-3.0.en.html -* One (1) license is for the `Concatenate DCD (CatDCD) `_ software which is used to combine the DCD files produced by the NAMD_GOMC Python package. +* One (1) license is for the `Concatenate DCD (CatDCD) `_ software which is used to combine the DCD files produced by the py-MCMD Python package. Download as :download:`CatDCD_license <_images/CatDCD_license>` @@ -32,5 +32,3 @@ The NAMD_GOMC Python package consists of two (2) different licenses (:download:` CatDCD_instructions_license generating_systems citing_MDMC_PYTHON - - diff --git a/docs/installation.rst b/docs/installation.rst index 2c09af2..ef13b80 100644 --- a/docs/installation.rst +++ b/docs/installation.rst @@ -1,7 +1,7 @@ Installation and Other Required Files ============ -The hybrid NAMD_GOMC Python code can be downloaded or cloned from the `NAMD_GOMC GitHub repository `_. This hybrid NAMD_GOMC Python code does not require any setup, but does require the proper files as input, which are listed below: +The hybrid py-MCMD Python code can be downloaded or cloned from the `py-MCMD GitHub repository `_. This hybrid NAMD_GOMC Python code does not require any setup, but does require the proper files as input, which are listed below: * **PSF** and **PDB** files. *NOTE: One (1) PSF and PDB file are required for the NPT and NVT ensembles, while two (2) PSF and PDB files are required for the GCMC and GEMC ensembles.* @@ -15,18 +15,18 @@ The hybrid NAMD_GOMC Python code can be downloaded or cloned from the `NAMD_GOMC This Python code is currently compatible only with `NAMD version 2.14 `_ and `GOMC-development branch `_. The NAMD and GOMC software needs to be installed before using this hybrid python code. Please refer to the NAMD and GOMC software instructions for installing them and building the binary files. Please also see the `GOMC Manual `_ and the `NAMD Users Guide `_. These binary files can be moved to a different directory, as this directory is specified in the hybrid simulation input. -* In NAMD, the binary file is typically located in the *NAMD_version_OS-CPUorGPU/* directory, named *namd2*. +* In NAMD, the binary file is typically located in the *NAMD_version_OS-CPUorGPU/* directory, named *namd2*. *NOTE: the user will need to specify the NAMD binary file directory and file name in this python code variables.* -* For GOMC, the binary files are typically located *GOMC_version_No/bin* directory. The CPU versions of the binary files are named GOMC_CPU_GCMC, GOMC_CPU_GEMC, GOMC_CPU_NPT, and GOMC_CPU_NVT. The GPU versions of the files are named GOMC_GPU_GCMC, GOMC_GPU_GEMC, GOMC_GPU_NPT, and GOMC_GPU_NVT. +* For GOMC, the binary files are typically located *GOMC_version_No/bin* directory. The CPU versions of the binary files are named GOMC_CPU_GCMC, GOMC_CPU_GEMC, GOMC_CPU_NPT, and GOMC_CPU_NVT. The GPU versions of the files are named GOMC_GPU_GCMC, GOMC_GPU_GEMC, GOMC_GPU_NPT, and GOMC_GPU_NVT. *NOTE: the user just needs to specify the GOMC binary directory since this Python code will select the proper binary file.* -**NOTE: This code was only tested on Linux operating systems. It was not tested using the Windows, Mac, or other operating systems, so it may not function properly on these operating systems.** +**NOTE: This code was only tested on Linux operating systems. It was not tested using the Windows, Mac, or other operating systems, so it may not function properly on these operating systems.** -**NOTE: A bug exists when running the NAMD simulations in GPU mode with the hybrid GEMC ensemble. It is currently unclear if this is an issue with NAMD, CUDA, or a precision error since the NAMD simulations run perfectly in CPU mode. A temporary workaround when using the hybrid GEMC ensemble is to run GOMC in GPU mode and NAMD in CPU mode.** +**NOTE: A bug exists when running the NAMD simulations in GPU mode with the hybrid GEMC ensemble. It is currently unclear if this is an issue with NAMD, CUDA, or a precision error since the NAMD simulations run perfectly in CPU mode. A temporary workaround when using the hybrid GEMC ensemble is to run GOMC in GPU mode and NAMD in CPU mode.** -**NOTE: ONLY run NAMD in the NVT ensemble, as running NAMD in the NPT ensemble will cause errors in the box positioning since NAMD and GOMC have different box centering algorithms when centering the box during box size changes.** +**NOTE: ONLY run NAMD in the NVT ensemble, as running NAMD in the NPT ensemble will cause errors in the box positioning since NAMD and GOMC have different box centering algorithms when centering the box during box size changes.** **NOTE:** GOMC does not currently use improper or Urey—Bradley potentials, so if the hybrid simulations contain impropers or Urey—Bradleys, the NAMD simulation energies will be different. In a protein simulation, it should be OK not to use impropers or Urey-Bradleys in GOMC and utilize them in NAMD since the protein will not move in the GOMC simulation due to its size. Each simulation will need to be individually evaluated to determine if not having the impropers or Urey-Bradleys in GOMC is irrelevant or significant to the simulation results.** diff --git a/docs/requirements.txt b/docs/requirements.txt index 342b355..5e279e7 100644 --- a/docs/requirements.txt +++ b/docs/requirements.txt @@ -7,4 +7,4 @@ sphinxcontrib-svg2pdfconverter ipykernel nbsphinx mock -ele \ No newline at end of file +ele diff --git a/docs/running_analysis_code.rst b/docs/running_analysis_code.rst index aae75bc..133cb05 100644 --- a/docs/running_analysis_code.rst +++ b/docs/running_analysis_code.rst @@ -1,7 +1,7 @@ Running the Combining Data Code =============== -The simulation data combining code is run via Python and combines all the required data into a few files for an easy simulation analysis. The data combining code is located in the *"analysis_combine_data"* file directory in the main directory (i.e., *"NAMD_GOMC/analysis_combine_data"*). Before running the data combining code, the user will need to fill out the proper input variables in the *"user_input_combine_data_NAMD_GOMC.json"* file, located in the same directory since this file determines how the data combining code is processed. The *"user_input_combine_data_NAMD_GOMC.json"* file name can be changed to whatever the user desires. +The simulation data combining code is run via Python and combines all the required data into a few files for an easy simulation analysis. The data combining code is located in the main directory (i.e., *"py-MCMD/combine_data_NAMD_GOMC.py"*). Before running the data combining code, the user will need to fill out the proper input variables in the *"user_input_combine_data_NAMD_GOMC.json"* file, located in the same directory since this file determines how the data combining code is processed. The *"user_input_combine_data_NAMD_GOMC.json"* file name can be changed to whatever the user desires. This code is designed to combine the hybrid simulation data into a central location. However, it can also be used to generate the same file types for a traditional NAMD-only or GOMC-only simulation, so the user can easily compare between the simulations. @@ -10,9 +10,9 @@ This code is designed to combine the hybrid simulation data into a central locat Executing the Combine Data Code --------------- -The combine data code is run from its file directory via a terminal window. +The combine data code is run from its file directory via a terminal window. -**NOTE:** If the *"user_input_combine_data_NAMD_GOMC.json"* file variables are not set properly for the type of simulation that was conducted, the output will not work, or data will be missing. +**NOTE:** If the *"user_input_combine_data_NAMD_GOMC.json"* file variables are not set properly for the type of simulation that was conducted, the output will not work, or data will be missing. .. code:: ipython3 @@ -24,7 +24,7 @@ The combine data code is run from its file directory via a terminal window. Flags for Combining Data Code --------------- - * **-f** *or* **--file** flag : json file + * **-f** *or* **--file** flag : json file Defines the json file to use for variable inputs to the hybrid NAMD/GOMC, NAMD-only, or GOMC-only combining code. * **-w** *or* **--write_folder_name** flag : str @@ -32,5 +32,3 @@ Flags for Combining Data Code * **-o** *or* **--overwrite** flag : (True, true, T, t, False, false, F, or f), default = False Determines whether to overwrite an exiting combined data folder and data, if they exist. - - diff --git a/docs/running_the_simulation.rst b/docs/running_the_simulation.rst index 8af5c7b..b583cd5 100644 --- a/docs/running_the_simulation.rst +++ b/docs/running_the_simulation.rst @@ -1,14 +1,14 @@ Running the Simulation =============== -The hybrid NAMD/GOMC simulation can be conducted once the *"user_input_NAMD_GOMC.json"* file is properly filled out to the user's specifications, including generating or obtaining the proper PSF, PDB, and force field (.inp or .par files) and specifying their proper paths. +The hybrid py-MCMD simulation can be conducted once the *"user_input_NAMD_GOMC.json"* file is properly filled out to the user's specifications, including generating or obtaining the proper PSF, PDB, and force field (.inp or .par files) and specifying their proper paths. **WARNING:** Any hybrid simulation that encounters a NAMD simulation with zero atoms or non-fixed atoms will fail. This failure will likely appear as a seg-fault in GOMC. Currently, these types of simulations are not possible with this software. Example # 1: GEMC Ensemble --------------- -Use a terminal window and move to the directory which contains the *run_NAMD_GOMC.py* file. Then run hybrid NAMD/GOMC simulations with the NAMD simulations for box 0 and box 1 executed in parallel (assuming both boxes are being simulated in NAMD per the *“user_input_NAMD_GOMC.json”* file). +Use a terminal window and move to the directory which contains the *run_NAMD_GOMC.py* file. Then run hybrid py-MCMD simulations with the NAMD simulations for box 0 and box 1 executed in parallel (assuming both boxes are being simulated in NAMD per the *“user_input_NAMD_GOMC.json”* file). .. code:: ipython3 @@ -21,27 +21,26 @@ Use a terminal window and move to the directory which contains the *run_NAMD_GOM Example # 2: GCMC Ensemble --------------- -Use a terminal window and move to the directory which contains the *run_NAMD_GOMC.py* file. Then run hybrid NAMD/GOMC simulations. +Use a terminal window and move to the directory which contains the *run_NAMD_GOMC.py* file. Then run hybrid py-MCMD simulations. -**NOTE:** The NAMD simulations default too in series, but it does not matter since the GCMC simulations box 1 is solely used as a reservoir without the need to evaluate the box's dynamics. +**NOTE:** The NAMD simulations default too in series, but it does not matter since the GCMC simulations box 1 is solely used as a reservoir without the need to evaluate the box's dynamics. .. code:: ipython3 cd "directory_containing_run_NAMD_GOMC.py" - python run_NAMD_GOMC.py -f user_input_NAMD_GOMC.json + python run_NAMD_GOMC.py -f user_input_NAMD_GOMC.json Flags for Running the Hybrid Simulation --------------- -The flags for running the *run_NAMD_GOMC.py* file user_input_variables_NAMD_GOMC.json file, or whatever the user names it. - +The flags for running the *run_NAMD_GOMC.py* file user_input_variables_NAMD_GOMC.json file, or whatever the user names it. + -f *or* --file : json file Defines the variable inputs file used for the hybrid NAMD/GOMC simulation script. - This file, the *"user_input_variables_NAMD_GOMC.json"* file, is required + This file, the *"user_input_variables_NAMD_GOMC.json"* file, is required to run the hybrid simulation. -namd_sims_order *or* --namd_simulation_order : default='series', (options: 'series' or 'parallel') This sets the NAMD simulation to be run in series or parallel. The data is entered only as series or parallel (default = series). This is only relevant for the GEMC ensemble when utilizing two (2) NAMD simulation boxes (i.e., only_use_box_0_for_namd_for_gemc = False --> both box 0 and box 1). The GCMC, NVT, NPT, or the GEMC ensembles when using only one (1) NAMD simulation box (i.e., only_use_box_0_for_namd_for_gemc = True --> only box 0) are always run in series, since there is nothing to run in parallel. Note: This feature was added so the user can minimize the load on the GPU by running both NAMD simulations in parallel. - diff --git a/docs/setup.py b/docs/setup.py index 2f8463f..666f7b4 100755 --- a/docs/setup.py +++ b/docs/setup.py @@ -4,17 +4,18 @@ import os import subprocess -from setuptools import setup, find_packages from distutils.spawn import find_executable +from setuptools import find_packages, setup + ##################################### -NAME = 'NAMD_GOMC' -VERSION = "0.0.01" +NAME = "py-MCMD" +VERSION = "0.0.2" ISRELEASED = True if ISRELEASED: __version__ = VERSION else: - __version__ = VERSION + '.dev0' + __version__ = VERSION + ".dev0" ##################################### @@ -22,63 +23,71 @@ def proto_procedure(): # Find the Protocol Compiler and compile protocol buffers # Taken from https://github.com/protocolbuffers/protobuf/blob/fcfc47d405113b59bd43c2e54daf5d9fe5c44593/python/setup.py # Only compile if a protocompiler is found, otherwise don't do anything - if 'PROTOC' in os.environ and os.path.exists(os.environ['PROTOC']): - protoc = os.environ['PROTOC'] + if "PROTOC" in os.environ and os.path.exists(os.environ["PROTOC"]): + protoc = os.environ["PROTOC"] elif os.path.exists("../src/protoc"): - protoc = "../src/protoc" + protoc = "../src/protoc" elif os.path.exists("../src/protoc.exe"): - protoc = "../src/protoc.exe" + protoc = "../src/protoc.exe" elif os.path.exists("../vsprojects/Debug/protoc.exe"): - protoc = "../vsprojects/Debug/protoc.exe" + protoc = "../vsprojects/Debug/protoc.exe" elif os.path.exists("../vsprojects/Release/protoc.exe"): - protoc = "../vsprojects/Release/protoc.exe" + protoc = "../vsprojects/Release/protoc.exe" else: - protoc = find_executable("protoc") - if protoc is None: - protoc = find_executable("protoc.exe") + protoc = find_executable("protoc") + if protoc is None: + protoc = find_executable("protoc.exe") if protoc is not None: compile_proto(protoc) def compile_proto(protoc): - protoc_command = [protoc, '-I=NAMD_GOMC/formats/', - '--python_out=NAMD_GOMC/formats/', 'compound.proto'] + protoc_command = [ + protoc, + "-I=py-MCMD/formats/", + "--python_out=py-MCMD/formats/", + "compound.proto", + ] subprocess.call(protoc_command) -if __name__ == '__main__': +if __name__ == "__main__": proto_procedure() setup( name=NAME, version=__version__, - description=__doc__.split('\n'), + description=__doc__.split("\n"), long_description=__doc__, - author='', - author_email='', - url='https://github.com/bc118/NAMD_GOMC', - download_url='https://github.com/bc118/NAMD_GOMC/tarball/{}'.format(__version__), + author="", + author_email="", + url="https://github.com/GOMC-WSU/py-MCMD", + download_url="https://github.com/GOMC-WSU/py-MCMD/tarball/{}".format( + __version__ + ), packages=find_packages(), - package_data={'NAMD_GOMC': ['utils/reference/*.{pdb,mol2}', - 'lib/*.{pdb,mol2}', - ]}, - package_dir={'NAMD_GOMC': 'NAMD_GOMC'}, + package_data={ + "NAMD_GOMC": [ + "utils/reference/*.{pdb,mol2}", + "lib/*.{pdb,mol2}", + ] + }, + package_dir={"py-MCMD": "py-MCMD"}, include_package_data=True, license="GPL-3.0", zip_safe=False, - keywords='NAMD_GOMC', + keywords="py-MCMD", classifiers=[ - 'Development Status :: 0 - Beta', - 'Intended Audience :: Science/Research', - 'Intended Audience :: Developers', - 'License :: OSI Approved :: GPL-3.0 and a University of Illinois Open Source License', - 'Natural Language :: English', - 'Programming Language :: Python', - 'Programming Language :: Python :: 3', - 'Topic :: Scientific/Engineering :: Chemistry', - 'Operating System :: Unix', + "Development Status :: 0 - Beta", + "Intended Audience :: Science/Research", + "Intended Audience :: Developers", + "License :: OSI Approved :: GPL-3.0 and a University of Illinois Open Source License", + "Natural Language :: English", + "Programming Language :: Python", + "Programming Language :: Python :: 3", + "Topic :: Scientific/Engineering :: Chemistry", + "Operating System :: Unix", ], ) - diff --git a/docs/simulation_analysis.rst b/docs/simulation_analysis.rst index 1820c11..759f821 100644 --- a/docs/simulation_analysis.rst +++ b/docs/simulation_analysis.rst @@ -2,7 +2,7 @@ Simulation Analysis (post-simulation) =============== The post-simulation analysis is required to combine all the individual simulation files into the combined molecular trajectories or coordinate (DCD file), system Energies and State properties. The systems topology (PSF) file is not combined, but selected and copied to the combined data folder for easy use. -Otherwise, without a data combining code, it would be nearly impossible to sort through all the individual GOMC and NAMD files and combine them all. +Otherwise, without a data combining code, it would be nearly impossible to sort through all the individual GOMC and NAMD files and combine them all. The output from the combining file is dependent on the data input file (**user_input_combine_data_NAMD_GOMC.json** file) and the utilized ensemble. The simulation data combining file was designed for these hybrid simulations; however, it also works for the traditional GOMC-only or NAMD-only simulations, so the data is output in the same manner for easy comparison, if needed. The following sections show how the combining data files are output for the hybrid simulations. While the traditional NAMD-only and GOMC-only simulation combined data outputs contain their specific subset of the data. @@ -12,9 +12,9 @@ Hybrid Simulation: NAMD Combined Energy Data These combined NAMD outputs contain the **Energy and State properties** for the NAMD simulations. Each file also include the header/title, which is only printed once at the top of the files. A few NAMD output files are provided for easy utilization by the user. In these files the energy units are kcal/mol and the density is in g/cm^3. -* **NAMD_data_box_0.txt** and **NAMD_data_box_1.txt** = The energy rows from each individual NAMD simulation are extracted directly from the NAMD log file and combined into a single file with the corrected time steps. +* **NAMD_data_box_0.txt** and **NAMD_data_box_1.txt** = The energy rows from each individual NAMD simulation are extracted directly from the NAMD log file and combined into a single file with the corrected time steps. -* **NAMD_data_density_box_0.txt** and **NAMD_data_density_box_1.txt** = The energy rows from each individual NAMD simulation are extracted directly from the NAMD log file with the **addition of the system density (g/cm^3)** and combined into a single file with the corrected time steps. +* **NAMD_data_density_box_0.txt** and **NAMD_data_density_box_1.txt** = The energy rows from each individual NAMD simulation are extracted directly from the NAMD log file with the **addition of the system density (g/cm^3)** and combined into a single file with the corrected time steps. **NOTE:** The box 1 files are only generated for the GEMC ensemble when the user selects NAMD to run both box 0 and box 1. @@ -23,10 +23,10 @@ Hybrid Simulation: GOMC Combined Energy Data --------------- The combined GOMC outputs contain the **Energy and State properties** for the GOMC simulations, which are listed in two (2) separate lines (i.e., for example, ENER_0 and STAT_0 for box 0 or ENER_1 and STAT_1 for box 1). -Each file also include the header/title, which is only printed once at the top of the files. +Each file also include the header/title, which is only printed once at the top of the files. There are several GOMC output files provided so the user has some options. -**NOTE:** Box 1 is listed as an output in the below examples, is only printed for the GEMC ensemble since box 1 serves no meaning or is not present in the GCMC, NPT, and NVT ensembles. +**NOTE:** Box 1 is listed as an output in the below examples, is only printed for the GEMC ensemble since box 1 serves no meaning or is not present in the GCMC, NPT, and NVT ensembles. * **GOMC_data_box_0.txt** and **GOMC_data_box_1.txt** = The Energy and Stat data are output for each simulation box as they are extracted exactly as is from the GOMC log file (energy units are in **K** and the density units are in **kg/m^3**). @@ -43,19 +43,19 @@ Hybrid Simulation: GOMC and NAMD Coordinates/Topology (DCD/PSF) The GOMC and NAMD coordinate (DCD) and topology (PSF) files can be output using the combining data python code, per the users input. However, for the GCMC and GEMC ensembles, only the PSF and DCD files are output for the GOMC simulation since a NAMD simulation is not currently capable of handling a changing number of atoms. For example, both the combined NAMD and GOMC PSF and DCD files can be output for the NPT and NVT ensembles, but only the GOMC PSF and DCD files can be output for the GCMC and GEMC ensembles. The output will be as follows: - **NOTE:** The box 1 PSF and DCD files will only be output for the GOMC simulation using the GEMC ensemble. + **NOTE:** The box 1 PSF and DCD files will only be output for the GOMC simulation using the GEMC ensemble. - * **Output_data_merged.psf** = The topology (PSF) file is used with the combined coordinate (DCD) files to identify the bonds, angles, dihedrals, impropers, and other atoms naming and properties. If this is a GCMC or GEMC ensemble, the topology (PSF) file will contain atoms from both box 0 and box 1. + * **Output_data_merged.psf** = The topology (PSF) file is used with the combined coordinate (DCD) files to identify the bonds, angles, dihedrals, impropers, and other atoms naming and properties. If this is a GCMC or GEMC ensemble, the topology (PSF) file will contain atoms from both box 0 and box 1. - * **combined_box_0_GOMC_dcd_files.dcd** and **combined_box_1_GOMC_dcd_files.dcd** = The combined coordinate (DCD) files from all the individual **GOMC** simulations, or at the selected frequency set by the user input file for combining the data. + * **combined_box_0_GOMC_dcd_files.dcd** and **combined_box_1_GOMC_dcd_files.dcd** = The combined coordinate (DCD) files from all the individual **GOMC** simulations, or at the selected frequency set by the user input file for combining the data. - * **combined_box_0_NAMD_dcd_files.dcd** = The combined coordinate (DCD) files from all the individual **NAMD** simulations, or at the selected frequency set by the user input file for combining the data. This combined NAMD coordinate (DCD) is only output for the NPT and NVT ensembles. + * **combined_box_0_NAMD_dcd_files.dcd** = The combined coordinate (DCD) files from all the individual **NAMD** simulations, or at the selected frequency set by the user input file for combining the data. This combined NAMD coordinate (DCD) is only output for the NPT and NVT ensembles. -Hybrid GCMC Simulation: GOMC Histogram and Distribution Data +Hybrid GCMC Simulation: GOMC Histogram and Distribution Data --------------- The histogram and distribution data are combined and output only for a GOMC simulation using the GCMC ensemble. Please refer to the `GOMC Manual `_ for more information on the histogram and distribution data. The files are listed as follows. @@ -71,10 +71,10 @@ Hybrid, GOMC-only, or NAMD-only Combining Data Input Variables These variables are used when running combining the data code for the hybrid MD/MC simulations. However, they can also be used for the traditional GOMC-only or NAMD-only simulations, allowing the user to easily compare between the simulations. The selected variables will determine how the data combining code functions and thus how the data is output. Therefore, the user should ensure that the selected variables are in-line with the simulation which was conducted, or the output data will be lacking or fail to be generated. -The variables below are contained in the *"user_input_combine_data_NAMD_GOMC.json"* file, which is the in the *"NAMD_GOMC/analysis_combine_data"* directory. When the variables are not used for the particular simulation type ('Hybrid', 'GOMC-only', 'NAMD-only'), the inputs still need to be supplied. However, the only requirement for the unused variables is that a string, boolean, or allowable types and values its requests is provided. The combining file will start and run correctly, provided all the required variables are correct. +The variables below are contained in the *"user_input_combine_data_NAMD_GOMC.json"* file, which is the in the *"py-MCMD/analysis_combine_data"* directory. When the variables are not used for the particular simulation type ('Hybrid', 'GOMC-only', 'NAMD-only'), the inputs still need to be supplied. However, the only requirement for the unused variables is that a string, boolean, or allowable types and values its requests is provided. The combining file will start and run correctly, provided all the required variables are correct. - simulation_type : string (only 'GEMC', 'GCMC', 'NPT', 'NVT') + simulation_type : string (only 'GEMC', 'GCMC', 'NPT', 'NVT') The simulation type or ensemble to use. Note: only GEMC-NVT available currently ('GEMC' = GEMC-NVT). This is required for all combining types ('Hybrid', 'GOMC-only', 'NAMD-only'). @@ -85,75 +85,72 @@ The variables below are contained in the *"user_input_combine_data_NAMD_GOMC.jso true = NAMD run only box 0 for GEMC false = NAMD run box 0 and 1 for GEMC This input is used when combining the 'Hybrid' data. - This is required when combining the + This is required when combining the 'GOMC-only', or 'NAMD-only' data, but is not used. - simulation_engine_options : string ('Hybrid', 'GOMC-only', 'NAMD-only') - The type of simulation you are combining. + simulation_engine_options : string ('Hybrid', 'GOMC-only', 'NAMD-only') + The type of simulation you are combining. 'Hybrid' is the hybrid NAMD_GOMC simulations. 'GOMC-only' is stand-alone GOMC simulation. 'NAMD-only' is stand-alone NAMD simulation. This is required for all combining types ('Hybrid', 'GOMC-only', 'NAMD-only'). gomc_or_namd_only_log_filename : string - The relative path and file name of the log file for the + The relative path and file name of the log file for the GOMC-only or NAMD-only simulation, which is used to create the same file format as the - hybrid simulation combining files. + hybrid simulation combining files. This input is used when combining the 'GOMC-only', or 'NAMD-only' data. - This is required when combining the - 'Hybrid' data, but is not used. + This is required when combining the + 'Hybrid' data, but is not used. combine_namd_dcd_file : bool (true or false) This chooses if you want combine all the NAMD dcd files into one - file for all the Hybrid NAMD simulations. - This option is only possible for "NVT" and "NPT" ensembles. - true = combine all the NAMD dcd files - false = do not combine all the NAMD dcd files + file for all the Hybrid NAMD simulations. + This option is only possible for "NVT" and "NPT" ensembles. + true = combine all the NAMD dcd files + false = do not combine all the NAMD dcd files This input is used when combining the 'Hybrid' data. - This is required when combining the + This is required when combining the 'GOMC-only', or 'NAMD-only' data, but is not used. combine_gomc_dcd_file : bool (true or false) This chooses if you want combine all the GOMC dcd files into one - file for all the Hybrid GOMC simulations. - This option available for all the ensembles. - true = combine all the GOMC dcd files - false = do not combine all the GOMC dcd files + file for all the Hybrid GOMC simulations. + This option available for all the ensembles. + true = combine all the GOMC dcd files + false = do not combine all the GOMC dcd files This input is used when combining the 'Hybrid' data. - This is required when combining the + This is required when combining the 'GOMC-only', or 'NAMD-only' data, but is not used. get_initial_gomc_dcd : bool (true or false) - true = This chooses whether to add the initial GOMC dcd trajectory to the combined GOMC dcd files, based on the existing ‘GOMC’ + true = This chooses whether to add the initial GOMC dcd trajectory to the combined GOMC dcd files, based on the existing ‘GOMC’ directory (i.e., the 1st GOMC dcd trajectory in the 1st GOMC individual simulation which are currently in ‘GOMC’ directory). false = It will not add the initial dcd file from the first GOMC folder to the combined dcd file. Example: It may be useful to not include the first folders initial dcd trajectory when users are conducting the piecemeal simulations, deleting the individual simulation folders as they go. In this example, the user would need to combine the separate dcd files that are created this way outside of this program. - Note: NAMD does not allow this option; however, when NAMD dcd file are able to be combined (NPT and NVT ensembles). For NAMD, the simulations + Note: NAMD does not allow this option; however, when NAMD dcd file are able to be combined (NPT and NVT ensembles). For NAMD, the simulations starting PDB file can be loaded into the trajectory in VMD or other software, which will allow user to access all the data. - rel_path_to_combine_binary_catdcd : string + rel_path_to_combine_binary_catdcd : string The relative path and file name to the catdcd, which are provided from the Theoretical and Compuational Biopyysisc group (VMD/NAMD development team) - (https://www.ks.uiuc.edu/Development/MDTools/catdcd/). + (https://www.ks.uiuc.edu/Development/MDTools/catdcd/). This tool is used to combine the dcd files for the hybrid simulations. - *Note: there are various catdcd files for different CPUs and + *Note: there are various catdcd files for different CPUs and operating systems, so please select the proper only for your system.* This input is used when combining the 'Hybrid' data. - This is required when combining the + This is required when combining the 'GOMC-only', or 'NAMD-only' data, but is not used. - - rel_path_to_NAMD_and_GOMC_folders : string + + rel_path_to_NAMD_and_GOMC_folders : string The relative path to the main NAMD and GOMC folders which contain all the individual simulations. This is also where the run_NAMD_GOMC.py - file is located, as it build the NAMD and GOMC folders in the same + file is located, as it build the NAMD and GOMC folders in the same directory. This input is used when combining the 'Hybrid' data. - This is required when combining the + This is required when combining the 'GOMC-only', or 'NAMD-only' data, but is not used. - - - diff --git a/docs/simulation_output.rst b/docs/simulation_output.rst index 8d43d72..8409e16 100644 --- a/docs/simulation_output.rst +++ b/docs/simulation_output.rst @@ -1,28 +1,28 @@ Simulation Output ============ -The hybrid `NAMD_GOMC `_ Python code generates a few data outputs, which include: +The hybrid `py-MCMD `_ Python code generates a few data outputs, which include: * A log file for each simulation start/restart. Additionally, one (1) NAMD and one (1) GOMC simulation folder and their output files per cycle, regardless of the number of restarts. Please also see the image below. .. image:: _images/NAMD_GOMC_folders.png :width: 400 -* A *"NAMD"* folder consists of sub-folders containing individual NAMD simulation with it's output files (i.e., 1/2 of a cycle). Each iteration folder is listed in numerical order with the ending of either "_a" or "_b", where "_a" is box 0 and "_b" is box 1 of the previous GOMC simulation (see image below, which shows NAMD simulating only box 0). These individual **NAMD simulation are always even numbered** to keep a trackable order between the simulation engines. Note: box 1 is only applicable to the GEMC ensemble, if the user selects NAMD to run box 1. +* A *"NAMD"* folder consists of sub-folders containing individual NAMD simulation with it's output files (i.e., 1/2 of a cycle). Each iteration folder is listed in numerical order with the ending of either "_a" or "_b", where "_a" is box 0 and "_b" is box 1 of the previous GOMC simulation (see image below, which shows NAMD simulating only box 0). These individual **NAMD simulation are always even numbered** to keep a trackable order between the simulation engines. Note: box 1 is only applicable to the GEMC ensemble, if the user selects NAMD to run box 1. .. image:: _images/NAMD_subfolders_only_box_0.png :width: 500 -* A *"GOMC"* folder consists of sub-folders containing individual GOMC simulation with it's output files (i.e., 1/2 of a cycle). These individual **GOMC simulation are always odd numbered** to keep a trackable order between the simulation engines (see image below). Note: box 1 is only applicable to the GCMC or GEMC ensembles, in which case, box 0 and box 1 are always contained in the same folder. +* A *"GOMC"* folder consists of sub-folders containing individual GOMC simulation with it's output files (i.e., 1/2 of a cycle). These individual **GOMC simulation are always odd numbered** to keep a trackable order between the simulation engines (see image below). Note: box 1 is only applicable to the GCMC or GEMC ensembles, in which case, box 0 and box 1 are always contained in the same folder. .. image:: _images/GOMC_subfolders.png :width: 500 -The hybrid simulation Python code outputs the main NAMD and GOMC folders, each containing 100s to 10,000s of individual simulations and associated files, which are utilized in the *post-simulation analysis* by combining all the files in the individual runs. These individual folders contain **PSF**, **PDB**, **DCD**, **System Energies**, and other **system State properties**, to name a few. +The hybrid simulation Python code outputs the main NAMD and GOMC folders, each containing 100s to 10,000s of individual simulations and associated files, which are utilized in the *post-simulation analysis* by combining all the files in the individual runs. These individual folders contain **PSF**, **PDB**, **DCD**, **System Energies**, and other **system State properties**, to name a few. -**At a minimum, the last completed individual GOMC run is required to restart the simulation; therefore, the user should always keep this file for continuing the simulation from its previous ending point. However, the simulation step numbers are properly calculated/arranged during the post-simulation analysis, and the user may need to correct for this if all the individual simulations are not kept for the final post-simulation analysis.** +**At a minimum, the last completed individual GOMC run is required to restart the simulation; therefore, the user should always keep this file for continuing the simulation from its previous ending point. However, the simulation step numbers are properly calculated/arranged during the post-simulation analysis, and the user may need to correct for this if all the individual simulations are not kept for the final post-simulation analysis.** Retaining all the individual simulation runs can add up to considerable storage requirements. Therefore, we recommended optimizing the number of steps and moves for each simulation engine and calculating the entire run's storage requirements before starting the production runs. *In the future, we plan on programming an auto-cleanup and that will combine all the individual runs on the fly and minimize the storage requirement.* diff --git a/docs/simulation_parameters_files.rst b/docs/simulation_parameters_files.rst index ed77b21..786f4d3 100644 --- a/docs/simulation_parameters_files.rst +++ b/docs/simulation_parameters_files.rst @@ -5,18 +5,18 @@ Simulation Parameters (pre-simulation) NAMD and GOMC Configuration Files --------------- -These are slightly modified versions of the standard configuration files used for the NAMD and GOMC simulation engines. +These are slightly modified versions of the standard configuration files used for the NAMD and GOMC simulation engines. Some of the variable entries are modified in the configuration files, which allows the python code to search and replace these variables for the next simulation, so the simulation is started correctly from the previous one. -Please refer to the `GOMC Manual `_ and the `NAMD Users Guide `_ for more information on the proper inputs for the simulation engines. +Please refer to the `GOMC Manual `_ and the `NAMD Users Guide `_ for more information on the proper inputs for the simulation engines. -These files are located in the *"NAMD_GOMC/required_data/config_files"* directory, and **these configurations files are auto-selected based on the user specified ensemble.** -The NAMD configuration file applies to all the possible ensembles. -The provided GOMC configuration files are named and designed for each different ensemble (NPT, NVT, GCMC, or GEMC), which changes the inputs and move frequencies. +These files are located in the *"py-MCMD/required_data/config_files"* directory, and **these configurations files are auto-selected based on the user specified ensemble.** +The NAMD configuration file applies to all the possible ensembles. +The provided GOMC configuration files are named and designed for each different ensemble (NPT, NVT, GCMC, or GEMC), which changes the inputs and move frequencies. An experienced user can modify these configuration files by changing or adding variables, time steps, move types, and move frequencies, as long as the variables work smoothly between NAMD and GOMC. -These changes will **likely** not effect the hybrid python code if the inputs match between NAMD and GOMC and are hardcoded and not dependent on a variable value in the existing configuration files. -**However, the configuration files must maintain their names and locations in the "NAMD_GOMC/required_data/config_files" directory.** +These changes will **likely** not effect the hybrid python code if the inputs match between NAMD and GOMC and are hardcoded and not dependent on a variable value in the existing configuration files. +**However, the configuration files must maintain their names and locations in the "py-MCMD/required_data/config_files" directory.** -It is also possible to use various configuration files throughout a longer simulation by simply changing the configuration files and restarting the hybrid simulation with the different files in their proper location. For Example, in the grand canonical Monte Carlo (GCMC) ensemble, suppose the first NAMD simulation requires restraining a protein for the first cycle. In this case, the GCMC simulation can insert molecules into the binding pocket before allowing unrestricted movement of the protein. The simulation would then be restarted on the second cycle to the Nth cycle with a different NAMD configuration file without restraining the protein. +It is also possible to use various configuration files throughout a longer simulation by simply changing the configuration files and restarting the hybrid simulation with the different files in their proper location. For Example, in the grand canonical Monte Carlo (GCMC) ensemble, suppose the first NAMD simulation requires restraining a protein for the first cycle. In this case, the GCMC simulation can insert molecules into the binding pocket before allowing unrestricted movement of the protein. The simulation would then be restarted on the second cycle to the Nth cycle with a different NAMD configuration file without restraining the protein. *However, the configuration files must maintain their names and locations.* @@ -28,16 +28,16 @@ It is also possible to use various configuration files throughout a longer simul **NOTE:** GOMC uses the standard Ewald Summation Method, while NAMD utilized the Particle Mesh Ewald (PME) to calculate long-range electrostatics. -An Example GCMC configuration file for the GOMC engine is provided below. **The configuration file sections that should not be modified without a good understanding of the overall code are listed at DO NOT MODIFY in each section.** The same DO NOT MODIFY statements are listing in the NAMD control file to alert the user. +An Example GCMC configuration file for the GOMC engine is provided below. **The configuration file sections that should not be modified without a good understanding of the overall code are listed at DO NOT MODIFY in each section.** The same DO NOT MODIFY statements are listing in the NAMD control file to alert the user. .. literalinclude:: ../required_data/config_files/GOMC_GCMC.conf -Required Files for the Hybrid Simulation +Required Files for the Hybrid Simulation --------------- -The hybrid simulation requires a **PSF**, **PDB**, and **force field files (i.e., .inp or .par files)** to run the simulation, which are required inputs. Typically, only a single **PDB** and **PSF** file are required per simulation box, unless you need a second **PDB** file to fix or restrain the atoms within NAMD, etc. A single or multiple force field files are required for both the NAMD and GOMC simulation engines, which is dependent on the system, and which force fields are being utilized. +The hybrid simulation requires a **PSF**, **PDB**, and **force field files (i.e., .inp or .par files)** to run the simulation, which are required inputs. Typically, only a single **PDB** and **PSF** file are required per simulation box, unless you need a second **PDB** file to fix or restrain the atoms within NAMD, etc. A single or multiple force field files are required for both the NAMD and GOMC simulation engines, which is dependent on the system, and which force fields are being utilized. **NOTE:** GOMC and NAMD force field files can be slightly different, so please refer to their respective manuals/documentation. However, unlike NAMD, GOMC handles fixed bonds and angles in its force field file by replacing bond and angle K-constants with *"999999999999"*. Please also see the image below for this section of the GOMC water force field with fixed bonds and angles. @@ -61,29 +61,29 @@ The MD/MC Hybrid input file is in the `json 0) - Number of CPU cores to use for box 0. This is the ONLY place to enter CPU cores for + Number of CPU cores to use for box 0. This is the ONLY place to enter CPU cores for 'GCMC', 'NPT', 'NVT', and 'GEMC' and only_use_box_0_for_namd_for_gemc = True Note: The total simulation core = no_core_box_0 + no_core_box_1, when using the - (GEMC' and only_use_box_0_for_namd_for_gemc = False) values. - Note: If using the 'GCMC', 'NPT', 'NVT', or - (GEMC' and only_use_box_0_for_namd_for_gemc = True) ensembles, + (GEMC' and only_use_box_0_for_namd_for_gemc = False) values. + Note: If using the 'GCMC', 'NPT', 'NVT', or + (GEMC' and only_use_box_0_for_namd_for_gemc = True) ensembles, the total simulation cores = no_core_box_0, regardless of the no_core_box_1 value. - no_core_box_1 : integer (>= 0) - Number or CPU cores to use in box 1. This always ZERO for 'GCMC', 'NPT', 'NVT' (>= 0). - Only use when 'GEMC' and only_use_box_0_for_namd_for_gemc = True (> 0) + no_core_box_1 : integer (>= 0) + Number or CPU cores to use in box 1. This always ZERO for 'GCMC', 'NPT', 'NVT' (>= 0). + Only use when 'GEMC' and only_use_box_0_for_namd_for_gemc = True (> 0) Note: The total simulation core = no_core_box_0 + no_core_box_1, when using the - (GEMC' and only_use_box_0_for_namd_for_gemc = False) values. - Note: If using the 'GCMC', 'NPT', 'NVT', or - (GEMC' and only_use_box_0_for_namd_for_gemc = True) ensembles, - the total simulation cores = no_core_box_0, regardless of the no_core_box_1 value. - - simulation_temp_k : float or integer + (GEMC' and only_use_box_0_for_namd_for_gemc = False) values. + Note: If using the 'GCMC', 'NPT', 'NVT', or + (GEMC' and only_use_box_0_for_namd_for_gemc = True) ensembles, + the total simulation cores = no_core_box_0, regardless of the no_core_box_1 value. + + simulation_temp_k : float or integer GOMC and NAMD units of temperature are in Kelvin. - simulation_pressure_bar : float or integer + simulation_pressure_bar : float or integer GOMC and NAMD units of pressure are in bar (1.01325 bar = 1 atm). GCMC_ChemPot_or_Fugacity : None or string (only stings are 'ChemPot' or 'Fugacity') @@ -122,141 +122,141 @@ The MD/MC Hybrid input file is in the `json =0): GCMC_ChemPot_or_Fugacity_dict = {'TIP3': 1000, 'Cl' : 10, 'Na' : 0} - Example Chempot with a protein: GCMC_ChemPot_or_Fugacity_dict = + Example Chempot with a protein: GCMC_ChemPot_or_Fugacity_dict = { - "TIP3": -4166, - "PROTA":-99999999999999999999999999999999999999, - "POPC":-99999999999999999999999999999999999999, - "POT":-99999999999999999999999999999999999999, + "TIP3": -4166, + "PROTA":-99999999999999999999999999999999999999, + "POPC":-99999999999999999999999999999999999999, + "POT":-99999999999999999999999999999999999999, "CLA":-99999999999999999999999999999999999999 } - namd_minimize_mult_scalar : int (>=0) - The scalar multiple used to get the number of NAMD minimization steps for this + namd_minimize_mult_scalar : int (>=0) + The scalar multiple used to get the number of NAMD minimization steps for this intitial NAMD simulation. NAMD_minimize steps = namd_run_steps * namd_minimize_mult_scalar - namd_run_steps : int (>=10) + namd_run_steps : int (>=10) The number of steps to run each cycle of the NAMD simulation. Needs to be 10 minimum for now, NEEDS TO BE THE SAME AS THE PREVIOUS SIMULATION, IF RESTARTED! - gomc_run_steps : int (>=10) + gomc_run_steps : int (>=10) The number of steps to run each cycle of the GOMC simulation. Needs to be 10 minimum for now, NEEDS TO BE THE SAME AS THE PREVIOUS SIMULATION, IF RESTARTED! set_dims_box_0_list : list or null, [null or float or int (>0), null or float or int (>0), null or float or int (>0)] The x, y, and z-dimensions of length for box 0 in Angstrom units. This is a list of 3, which can contain a null, float or int (>0). - The length is auto read from the PDB files CRYST1 line, if it is containted there. - This command overrides the PDB value(s), and is needed for the simulation if + The length is auto read from the PDB files CRYST1 line, if it is containted there. + This command overrides the PDB value(s), and is needed for the simulation if the data is not in the pdb file. Note: if null is used instead of a list the PDB values will be used. Note: if null is used instead of the x, y, or z-dimension, the PDB file will be used for the null dimensions. Example: [10, null, null], the x dimension would use 10 and the y and z dimensions would be the PDB - file values. + file values. set_dims_box_1_list : list or null, [null or float or int (>0), null or float or int (>0), null or float or int (>0)] The x, y, and z-dimensions of length for box 1 in Angstrom units. This is a list of 3, which can contain a null, float or int (>0). - The length is auto read from the PDB files CRYST1 line, if it is containted there. - This command overrides the PDB value(s), and is needed for the simulation if + The length is auto read from the PDB files CRYST1 line, if it is containted there. + This command overrides the PDB value(s), and is needed for the simulation if the data is not in the pdb file. Note: if null is used instead of a list the PDB values will be used. Note: if null is used instead of the x, y, or z-dimension, the PDB file will be used for the null dimensions. Example: [10, null, null], the x dimension would use 10 and the y and z dimensions would be the PDB - file values. + file values. set_angle_box_0_list : list or null, [null or float or int, null or float or int, null or float or int] The alpha, beta, and gamma angles for box 0 in degrees. This is a list of 3, which can contain a null, float or int. - The angles are auto read from the PDB files CRYST1 line, if it is containted there. - This command overrides the PDB value(s), and is needed for the simulation if + The angles are auto read from the PDB files CRYST1 line, if it is containted there. + This command overrides the PDB value(s), and is needed for the simulation if the data is not in the pdb file. Note: if null is used instead of a list the PDB values will be used. Note: if null is used instead of the alpha, beta, and gamma angles, the PDB file will be used for the null dimensions. Example: [10, null, null], the alpha angle would use 10 and the beta and gamma angles would be the PDB - file values. - NOTE: CURRENTLY ONLY ORTHOGONAL BOXES ARE AVAILABLE, SO ONLY NULL OR 90 - WILL BE ACCEPTED. NULL WILL AUTO DEFAUT TO 90. + file values. + NOTE: CURRENTLY ONLY ORTHOGONAL BOXES ARE AVAILABLE, SO ONLY NULL OR 90 + WILL BE ACCEPTED. NULL WILL AUTO DEFAUT TO 90. set_angle_box_1_list : list or null, [null or float or int, null or float or int, null or float or int] The alpha, beta, and gamma angles for box 1 in degrees. This is a list of 3, which can contain a null, float or int. - The angles are auto read from the PDB files CRYST1 line, if it is containted there. - This command overrides the PDB value(s), and is needed for the simulation if + The angles are auto read from the PDB files CRYST1 line, if it is containted there. + This command overrides the PDB value(s), and is needed for the simulation if the data is not in the pdb file. Note: if null is used instead of a list the PDB values will be used. Note: if null is used instead of the alpha, beta, and gamma angles, the PDB file will be used for the null dimensions. Example: [10, null, null], the alpha angle would use 10 and the beta and gamma angles would be the PDB - file values. - NOTE: CURRENTLY ONLY ORTHOGONAL BOXES ARE AVAILABLE, SO ONLY NULL OR 90 - WILL BE ACCEPTED. NULL WILL AUTO DEFAUT TO 90. + file values. + NOTE: CURRENTLY ONLY ORTHOGONAL BOXES ARE AVAILABLE, SO ONLY NULL OR 90 + WILL BE ACCEPTED. NULL WILL AUTO DEFAUT TO 90. starting_ff_file_list_gomc : list of strings All the force fields for the GOMC simulation. - The strings in the list must be the relative path and file name to the force field(s) + The strings in the list must be the relative path and file name to the force field(s) Example : ["required_data/equilb_box_298K/GOMC_TIPS3P_FF.inp", "required_data/equilb_box_298K/GOMC_NaCl_FF.inp"] starting_ff_file_list_namd : list of strings All the force fields for the NAMD simulation. - The strings in the list must be the relative path and file name to the force field(s) + The strings in the list must be the relative path and file name to the force field(s) Example : ["required_data/equilb_box_298K/NAMD_TIPS3P_FF.inp", "required_data/equilb_box_298K/NAMD_NaCl_FF.inp"] starting_pdb_box_0_file : string - The relative path and filename to the starting PDB file for box 0, + The relative path and filename to the starting PDB file for box 0, which is initally fed to the NAMD simulation since it starts first. - The string in the list must be the relative path to the force fields and the file name + The string in the list must be the relative path to the force fields and the file name Example : "required_data/equilb_box_298K/TIPS3P_box_0.pdb" starting_psf_box_0_file : string - The relative path and filename to the starting PSF file box 0, + The relative path and filename to the starting PSF file box 0, which is initally fed to the NAMD simulation since it starts first. - The string in the list must be the relative path to the force fields and the file name + The string in the list must be the relative path to the force fields and the file name Example : "required_data/equilb_box_298K/TIPS3P_box_0.psf starting_pdb_box_1_file : string - The relative path and filename to the starting PDB file for box 1, + The relative path and filename to the starting PDB file for box 1, which is initally fed to the NAMD simulation since it starts first. - The string in the list must be the relative path to the force fields and the file name + The string in the list must be the relative path to the force fields and the file name Note: this is only needed for the "GCMC" and "GEMC" ensembles/simulation types Example : "required_data/equilb_box_298K/TIPS3P_box_1.pdb" starting_psf_box_1_file : string - The relative path and filename to the starting PSF file box 1, + The relative path and filename to the starting PSF file box 1, which is initally fed to the NAMD simulation since it starts first. - The string in the list must be the relative path to the force fields and the file name + The string in the list must be the relative path to the force fields and the file name Note: this is only needed for the "GCMC" and "GEMC" ensembles/simulation types Example : "required_data/equilb_box_298K/TIPS3P_box_1.psf namd_bin_file : string The relative path to the directory where the namd2 file binary is located. This should be in the required_data/bin/NAMD212, or required_data/bin/NAMD212 - or required_data/bin directory. - IMPORTANT MANUAL MODIFICATION: To use the GPU and CPU or either version of namd, + or required_data/bin directory. + IMPORTANT MANUAL MODIFICATION: To use the GPU and CPU or either version of namd, the copied files in this directory must be renamed namd2_CPU and namd2_GPU. - NOTE: THIS WAS ONLY TESTED ON NAMD VERSION 2.14, SO IT MAY NOT WORK ON OTHER + NOTE: THIS WAS ONLY TESTED ON NAMD VERSION 2.14, SO IT MAY NOT WORK ON OTHER NAMD VERSIONS WITHOUT SOME CODE MODIFICATION. Alternatively, a sybolic link to namd2 file binary could be there. Example: "required_data/bin/NAMD212" gomc_bin_file : string The relative path to the directory where the GOMC file binaries are located. - This should be in the required_data/bin directory. + This should be in the required_data/bin directory. Alternatively, a sybolic link to GOMC file binaries file binary could be there. - NOTE: THIS WAS ONLY TESTED ON THE GOMC DEVELOPMENT AFTER VERSION 2.70, - SO IT MAY NOT WORK ON OTHER GOMC VERSIONS WITHOUT SOME CODE MODIFICATION, + NOTE: THIS WAS ONLY TESTED ON THE GOMC DEVELOPMENT AFTER VERSION 2.70, + SO IT MAY NOT WORK ON OTHER GOMC VERSIONS WITHOUT SOME CODE MODIFICATION, AND SOME ADDITIONAL FUNCTIONALLITY IS NOT IN PREVIOUS GOMC VERSIONS. Example: "required_data/bin" diff --git a/namd_gomc-env.yml b/namd_gomc-env.yml index ec77740..09f7dd2 100644 --- a/namd_gomc-env.yml +++ b/namd_gomc-env.yml @@ -9,7 +9,7 @@ dependencies: - lark-parser - requests - mock - - argparse + - argparse - pandas - scipy - bumpy diff --git a/required_data/config_files/GOMC_GCMC.conf b/required_data/config_files/GOMC_GCMC.conf index 4047c1f..3e49757 100644 --- a/required_data/config_files/GOMC_GCMC.conf +++ b/required_data/config_files/GOMC_GCMC.conf @@ -7,36 +7,36 @@ ############################################################################ ######################### -# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) ######################### -Restart restart_true_or_false - +Restart restart_true_or_false + Checkpoint Restart_Checkpoint_file #################################### -# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### PRNG RANDOM #################################### -# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### ParaTypeCHARMM true all_parameter_files #################################### -# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Coordinates 0 pdb_file_box_0_file Coordinates 1 pdb_file_box_1_file #################################### -# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Structure 0 psf_file_box_0_file Structure 1 psf_file_box_1_file #################################### -# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### binCoordinates 0 coor_box_0_file @@ -52,25 +52,25 @@ binVelocities 1 vel_box_1_file # =======--------------------- SYSTEM --------------------------=========== ############################################################################ ################################## -# Temp, and ChemPots or Fugacities (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# Temp, and ChemPots or Fugacities (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## mu_ChemPot_K_or_P_Fugacitiy_bar_all Temperature System_temp_set ############################# -# SIMULATION CONDITION +# SIMULATION CONDITION ############################# -Potential SWITCH +Potential SWITCH Rswitch 10.0 LRC false Rcut 12 -RcutLow 1.0 -Exclude 1-3 +RcutLow 1.0 +Exclude 1-3 1-4scaling 1.0 ############################# -# ELECTROSTATIC +# ELECTROSTATIC ############################# Ewald true ElectroStatic true @@ -78,26 +78,26 @@ CachedFourier false Tolerance 0.00001 -############################### -# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) -################################ +############################### +# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) +################################ PressureCalc true GOMC_console_BLKavg_Hist_Steps ################################ -# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ InitStep 0 RunSteps GOMC_Run_Steps EqSteps GOMC_Equilb_Steps -AdjSteps GOMC_Adj_Steps - - +AdjSteps GOMC_Adj_Steps + + ################################ -# MOVE FREQUENCY +# MOVE FREQUENCY ################################ -SwapFreq 1.000 +SwapFreq 1.000 DisFreq 0.000 RotFreq 0.000 RegrowthFreq 0.000 @@ -105,7 +105,7 @@ IntraSwapFreq 0.000 ################################ -# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ CellBasisVector1 0 x_dim_box_0 0.00 0.00 CellBasisVector2 0 0.00 y_dim_box_0 0.00 @@ -120,7 +120,7 @@ CellBasisVector3 1 0.00 0.00 z_dim_box_1 ############################## # CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 CBMC_Ang 50 CBMC_Dih 50 @@ -137,7 +137,7 @@ CBMC_Dih 50 OutputName Output_data ##################################### -# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) ##################################### RestartFreq true GOMC_RST_Coor_CKpoint_Steps CheckpointFreq true GOMC_RST_Coor_CKpoint_Steps @@ -148,7 +148,7 @@ HistogramFreq true GOMC_console_BLKavg_Hist_Steps DCDFreq true GOMC_RST_Coor_CKpoint_Steps ################################ -# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ DistName dis HistName his @@ -157,12 +157,11 @@ RunLetter a SampleFreq GOMC_Hist_sample_Steps ################################## -# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## -OutEnergy true true -OutPressure true true -OutMolNum true true +OutEnergy true true +OutPressure true true +OutMolNum true true OutDensity true true OutVolume true true OutSurfaceTension false false - diff --git a/required_data/config_files/GOMC_GEMC.conf b/required_data/config_files/GOMC_GEMC.conf index e18ca55..fbc8ba1 100644 --- a/required_data/config_files/GOMC_GEMC.conf +++ b/required_data/config_files/GOMC_GEMC.conf @@ -7,36 +7,36 @@ ############################################################################ ######################### -# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) ######################### -Restart restart_true_or_false - +Restart restart_true_or_false + Checkpoint Restart_Checkpoint_file #################################### -# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### PRNG RANDOM #################################### -# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### ParaTypeCHARMM true all_parameter_files #################################### -# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Coordinates 0 pdb_file_box_0_file Coordinates 1 pdb_file_box_1_file #################################### -# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Structure 0 psf_file_box_0_file Structure 1 psf_file_box_1_file #################################### -# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### binCoordinates 0 coor_box_0_file @@ -59,19 +59,19 @@ GEMC NVT Temperature System_temp_set ############################# -# SIMULATION CONDITION +# SIMULATION CONDITION ############################# -Potential SWITCH +Potential SWITCH Rswitch 10.0 LRC false Rcut 12 -RcutLow 1.0 -Exclude 1-3 +RcutLow 1.0 +Exclude 1-3 1-4scaling 1.0 ############################# -# ELECTROSTATIC +# ELECTROSTATIC ############################# Ewald true ElectroStatic true @@ -79,23 +79,23 @@ CachedFourier false Tolerance 0.00001 -############################### -# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) -################################ +############################### +# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) +################################ PressureCalc true GOMC_console_BLKavg_Hist_Steps ################################ -# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ InitStep 0 RunSteps GOMC_Run_Steps EqSteps GOMC_Equilb_Steps -AdjSteps GOMC_Adj_Steps - - +AdjSteps GOMC_Adj_Steps + + ################################ -# MOVE FREQUENCY +# MOVE FREQUENCY ################################ VolFreq 0.01 @@ -107,7 +107,7 @@ IntraSwapFreq 0.00 ################################ -# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ CellBasisVector1 0 x_dim_box_0 0.00 0.00 CellBasisVector2 0 0.00 y_dim_box_0 0.00 @@ -122,7 +122,7 @@ CellBasisVector3 1 0.00 0.00 z_dim_box_1 ############################## # CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 CBMC_Ang 50 CBMC_Dih 50 @@ -133,12 +133,12 @@ CBMC_Dih 50 ############################################################################ ########################## -# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) ########################## OutputName Output_data ##################################### -# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) ##################################### RestartFreq true GOMC_RST_Coor_CKpoint_Steps CheckpointFreq true GOMC_RST_Coor_CKpoint_Steps @@ -149,7 +149,7 @@ HistogramFreq true GOMC_console_BLKavg_Hist_Steps DCDFreq true GOMC_RST_Coor_CKpoint_Steps ################################ -# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ DistName dis HistName his @@ -158,12 +158,11 @@ RunLetter a SampleFreq GOMC_Hist_sample_Steps ################################## -# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## -OutEnergy true true -OutPressure true true -OutMolNum true true +OutEnergy true true +OutPressure true true +OutMolNum true true OutDensity true true OutVolume true true OutSurfaceTension false false - diff --git a/required_data/config_files/GOMC_NPT.conf b/required_data/config_files/GOMC_NPT.conf index 3ac0f76..ea7e81f 100644 --- a/required_data/config_files/GOMC_NPT.conf +++ b/required_data/config_files/GOMC_NPT.conf @@ -7,34 +7,34 @@ ############################################################################ ######################### -# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) ######################### -Restart restart_true_or_false - +Restart restart_true_or_false + Checkpoint Restart_Checkpoint_file #################################### -# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### PRNG RANDOM #################################### -# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### ParaTypeCHARMM true all_parameter_files #################################### -# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Coordinates 0 pdb_file_box_0_file #################################### -# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Structure 0 psf_file_box_0_file #################################### -# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### binCoordinates 0 coor_box_0_file @@ -48,25 +48,25 @@ binVelocities 0 vel_box_0_file # =======--------------------- SYSTEM --------------------------=========== ############################################################################ ################################## -# Pressure and Temp (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# Pressure and Temp (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## Pressure System_press_set Temperature System_temp_set ############################# -# SIMULATION CONDITION +# SIMULATION CONDITION ############################# -Potential SWITCH +Potential SWITCH Rswitch 10.0 LRC false Rcut 12 -RcutLow 1.0 -Exclude 1-3 +RcutLow 1.0 +Exclude 1-3 1-4scaling 1.0 ############################# -# ELECTROSTATIC +# ELECTROSTATIC ############################# Ewald true ElectroStatic true @@ -74,27 +74,27 @@ CachedFourier false Tolerance 0.00001 -############################### -# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) -################################ +############################### +# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) +################################ PressureCalc true GOMC_console_BLKavg_Hist_Steps ################################ -# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ InitStep 0 RunSteps GOMC_Run_Steps EqSteps GOMC_Equilb_Steps -AdjSteps GOMC_Adj_Steps - - +AdjSteps GOMC_Adj_Steps + + ################################ -# MOVE FREQUENCY +# MOVE FREQUENCY ################################ VolFreq 0.01 -IntraSwapFreq 0.99 +IntraSwapFreq 0.99 DisFreq 0.00 RotFreq 0.00 RegrowthFreq 0.00 @@ -102,7 +102,7 @@ RegrowthFreq 0.00 ################################ -# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ CellBasisVector1 0 x_dim_box_0 0.00 0.00 CellBasisVector2 0 0.00 y_dim_box_0 0.00 @@ -112,25 +112,25 @@ CellBasisVector3 0 0.00 0.00 z_dim_box_0 ############################## -# CBMC TRIALS +# CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 CBMC_Ang 50 CBMC_Dih 50 ############################################################################ -# =======-------------------- OUTPUT (DO NOT MODIFY or the hybrid simulation and combine files may not work) --------------------------=========== +# =======-------------------- OUTPUT (DO NOT MODIFY or the hybrid simulation and combine files may not work) --------------------------=========== ############################################################################ ########################## -# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) ########################## OutputName Output_data ##################################### -# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) ##################################### RestartFreq true GOMC_RST_Coor_CKpoint_Steps CheckpointFreq true GOMC_RST_Coor_CKpoint_Steps @@ -141,7 +141,7 @@ HistogramFreq true GOMC_console_BLKavg_Hist_Steps DCDFreq true GOMC_RST_Coor_CKpoint_Steps ################################ -# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ DistName dis HistName his @@ -150,13 +150,11 @@ RunLetter a SampleFreq GOMC_Hist_sample_Steps ################################## -# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## -OutEnergy true true -OutPressure true true -OutMolNum true true +OutEnergy true true +OutPressure true true +OutMolNum true true OutDensity true true OutVolume true true OutSurfaceTension false false - - diff --git a/required_data/config_files/GOMC_NVT.conf b/required_data/config_files/GOMC_NVT.conf index 1807588..5d07aca 100644 --- a/required_data/config_files/GOMC_NVT.conf +++ b/required_data/config_files/GOMC_NVT.conf @@ -7,34 +7,34 @@ ############################################################################ ######################### -# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, step (DO NOT MODIFY or the hybrid simulation and combine files may not work) ######################### -Restart restart_true_or_false - +Restart restart_true_or_false + Checkpoint Restart_Checkpoint_file #################################### -# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# kind {RESTART, RANDOM, INTSEED} (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### PRNG RANDOM #################################### -# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# FORCE FIELD (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### ParaTypeCHARMM true all_parameter_files #################################### -# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PDB FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Coordinates 0 pdb_file_box_0_file #################################### -# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT PSF FILES (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### Structure 0 psf_file_box_0_file #################################### -# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# INPUT BINARY coodinatd, XSC, velocity files (DO NOT MODIFY or the hybrid simulation and combine files may not work) #################################### binCoordinates 0 coor_box_0_file @@ -48,24 +48,24 @@ binVelocities 0 vel_box_0_file ############################################################################ ################################## -# Temp (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# Temp (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## Temperature System_temp_set ############################# -# SIMULATION CONDITION +# SIMULATION CONDITION ############################# -Potential SWITCH +Potential SWITCH Rswitch 10.0 LRC false Rcut 12 -RcutLow 1.0 -Exclude 1-3 +RcutLow 1.0 +Exclude 1-3 1-4scaling 1.0 ############################# -# ELECTROSTATIC +# ELECTROSTATIC ############################# Ewald true ElectroStatic true @@ -73,32 +73,32 @@ CachedFourier false Tolerance 0.00001 -############################### -# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) -################################ +############################### +# PRESSURE CALCULATION (DO NOT MODIFY or the hybrid simulation and combine files may not work) +################################ PressureCalc true GOMC_console_BLKavg_Hist_Steps ################################ -# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# STEPS (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ InitStep 0 RunSteps GOMC_Run_Steps EqSteps GOMC_Equilb_Steps -AdjSteps GOMC_Adj_Steps - - +AdjSteps GOMC_Adj_Steps + + ################################ -# MOVE FREQUENCY (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# MOVE FREQUENCY (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ -IntraSwapFreq 1.000 +IntraSwapFreq 1.000 DisFreq 0.000 RotFreq 0.000 RegrowthFreq 0.000 ################################ -# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# BOX DIMENSION #, X, Y, Z (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ CellBasisVector1 0 x_dim_box_0 0.00 0.00 CellBasisVector2 0 0.00 y_dim_box_0 0.00 @@ -108,9 +108,9 @@ CellBasisVector3 0 0.00 0.00 z_dim_box_0 ############################## -# CBMC TRIALS +# CBMC TRIALS ############################## -CBMC_First 16 +CBMC_First 16 CBMC_Nth 8 CBMC_Ang 50 CBMC_Dih 50 @@ -121,12 +121,12 @@ CBMC_Dih 50 ############################################################################ ########################## -# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# statistics filename add (DO NOT MODIFY or the hybrid simulation and combine files may not work) ########################## OutputName Output_data ##################################### -# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable, frequency (DO NOT MODIFY or the hybrid simulation and combine files may not work) ##################################### RestartFreq true GOMC_RST_Coor_CKpoint_Steps CheckpointFreq true GOMC_RST_Coor_CKpoint_Steps @@ -137,7 +137,7 @@ HistogramFreq true GOMC_console_BLKavg_Hist_Steps DCDFreq true GOMC_RST_Coor_CKpoint_Steps ################################ -# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# OutHistSettings (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################ DistName dis HistName his @@ -146,13 +146,11 @@ RunLetter a SampleFreq GOMC_Hist_sample_Steps ################################## -# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) +# enable: blk avg., fluct. (DO NOT MODIFY or the hybrid simulation and combine files may not work) ################################## -OutEnergy true true -OutPressure true true -OutMolNum true true +OutEnergy true true +OutPressure true true +OutMolNum true true OutDensity true true OutVolume true true OutSurfaceTension false false - - diff --git a/required_data/config_files/NAMD.conf b/required_data/config_files/NAMD.conf index d927d54..e254b4b 100644 --- a/required_data/config_files/NAMD.conf +++ b/required_data/config_files/NAMD.conf @@ -2,11 +2,11 @@ ## JOB DESCRIPTION ## ############################################################# -# Minimization and Equilibration of +# Minimization and Equilibration of # Ubiquitin in a Water Box # (DO NOT MODIFY anything but the Force-Field Parameters or Integrator Parameters -# or the hybrid simulation and combine files may not work) +# or the hybrid simulation and combine files may not work) ############################################################# ## PYTHON CODE INPUT PARMETERS ONLY (DO NOT MODIFY or the hybrid simulation and combine files may not work) ## ############################################################# @@ -14,7 +14,7 @@ all_parameter_files coordinates pdb_box_file -structure psf_box_file +structure psf_box_file set X_DIM_box x_dim_box set Y_DIM_box y_dim_box @@ -34,7 +34,7 @@ set NAMD_MINIMIZE NAMD_Minimize set set_temperature System_temp_set -set RESTART_STATUS Bool_restart +set RESTART_STATUS Bool_restart if {${RESTART_STATUS}} { set COOR_file coor_file @@ -73,7 +73,7 @@ margin 3.0 timestep 2.0 ;# 2fs/step rigidBonds all ;# needed for 2fs steps nonbondedFreq 1 -fullElectFrequency 2 +fullElectFrequency 2 stepspercycle 10 PMETolerance 0.00001 @@ -84,7 +84,7 @@ PME yes ############################################################# -## FIXED NVT SIMULATION (VOLUME CHANGES HANDLED IN GOMC) and AUTO-BOX SIZING: +## FIXED NVT SIMULATION (VOLUME CHANGES HANDLED IN GOMC) and AUTO-BOX SIZING: ## (ONLY run NAMD in the NVT ensemble, as running NAMD in the NPT ensemble will cause errors ## in the box positioning since NAMD and GOMC have different box centering algorithms ## when centering the box during box size changes. ) @@ -121,17 +121,17 @@ wrapAll on if {${RESTART_STATUS}} { binCoordinates ${COOR_file} extendedSystem ${XSC_file} - binvelocities ${VEL_file} - + binvelocities ${VEL_file} + } else { # set the temp for the intial simulation temperature $set_temperature - + # Periodic Boundary Conditions CellBasisVector1 ${X_DIM_box} 0.00 0.00 CellBasisVector2 0.00 ${Y_DIM_box} 0.00 CellBasisVector3 0.00 0.00 ${Z_DIM_box} - cellOrigin ${X_ORIGIN_box} ${Y_ORIGIN_box} ${Z_ORIGIN_box} + cellOrigin ${X_ORIGIN_box} ${Y_ORIGIN_box} ${Z_ORIGIN_box} } @@ -156,13 +156,11 @@ outputPressure NAMD_console_BLKavg_E_and_P_Steps # Minimization if {${RESTART_STATUS}} { - + } else { minimize $NAMD_MINIMIZE } -run $NAMD_RUN_STEPS - - +run $NAMD_RUN_STEPS diff --git a/required_data/equilb_box_298K/GOMC_TIPS3P_FF copy.inp b/required_data/equilb_box_298K/GOMC_TIPS3P_FF copy.inp index e092e5e..d2c6f75 100644 --- a/required_data/equilb_box_298K/GOMC_TIPS3P_FF copy.inp +++ b/required_data/equilb_box_298K/GOMC_TIPS3P_FF copy.inp @@ -15,7 +15,7 @@ * masses -! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) +! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) * O 15.999430 ! TIPS3P_O_TIP3 * H 1.007947 ! TIPS3P_H_TIP3 @@ -35,8 +35,8 @@ BONDS * harmonic !b0: A !Kb (kcal/mol) = Kb_K (K) * Boltz. const.; ! -!atom_types Kb b0 -H O 999999999999 0.9572 +!atom_types Kb b0 +H O 999999999999 0.9572 ANGLES * harmonic ! @@ -45,10 +45,10 @@ ANGLES * harmonic !Ktheta: kcal/mole/rad**2 !Theta0: degrees ! -! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. +! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. ! -! atom_types Ktheta Theta0 -H O H 999999999999 104.52000 +! atom_types Ktheta Theta0 +H O H 999999999999 104.52000 diff --git a/required_data/equilb_box_298K/GOMC_TIPS3P_FF.inp b/required_data/equilb_box_298K/GOMC_TIPS3P_FF.inp index 528962d..a82b24b 100644 --- a/required_data/equilb_box_298K/GOMC_TIPS3P_FF.inp +++ b/required_data/equilb_box_298K/GOMC_TIPS3P_FF.inp @@ -15,7 +15,7 @@ * masses -! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) +! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) * C 15.999430 ! TIPS3P_O_TIP3 * A 1.007947 ! TIPS3P_H_TIP3 * D 15.999430 ! TIPS3P_O_WAT @@ -40,7 +40,7 @@ ANGLES * harmonic !Ktheta: kcal/mole/rad**2 !Theta0: degrees ! -! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. +! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. ! !atom_types Ktheta Theta0 atoms_types_per_utilized_FF A C A 999999999999 104.52000 ! TIPS3P_H_TIP3 TIPS3P_O_TIP3 TIPS3P_H_TIP3 diff --git a/required_data/equilb_box_298K/NAMD_TIPS3P_FF.inp b/required_data/equilb_box_298K/NAMD_TIPS3P_FF.inp index d8b68c1..e2c1efa 100644 --- a/required_data/equilb_box_298K/NAMD_TIPS3P_FF.inp +++ b/required_data/equilb_box_298K/NAMD_TIPS3P_FF.inp @@ -15,7 +15,7 @@ * masses -! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) +! atom_types mass atomTypeForceFieldName_ResidueName (i.e., atoms_type_per_utilized_FF) * C 15.999430 ! TIPS3P_O_TIP3 * A 1.007947 ! TIPS3P_H_TIP3 * D 15.999430 ! TIPS3P_O_WAT @@ -40,7 +40,7 @@ ANGLES * harmonic !Ktheta: kcal/mole/rad**2 !Theta0: degrees ! -! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. +! Ktheta (kcal/mol) = Ktheta_K (K) * Boltz. const. ! !atom_types Ktheta Theta0 atoms_types_per_utilized_FF A C A 55.0 104.52000 ! TIPS3P_H_TIP3 TIPS3P_O_TIP3 TIPS3P_H_TIP3 diff --git a/required_data/equilb_box_298K/TIPS3P_box_0.pdb b/required_data/equilb_box_298K/TIPS3P_box_0.pdb index a45c12f..3747e41 100644 --- a/required_data/equilb_box_298K/TIPS3P_box_0.pdb +++ b/required_data/equilb_box_298K/TIPS3P_box_0.pdb @@ -1,6284 +1,6284 @@ -CRYST1 40.400 40.400 40.400 90.00 90.00 90.00 P 1 -ATOM 1 O1 TIP3A 1 33.613 28.237 24.361 1.00 0.00 O -ATOM 2 H1 TIP3A 1 32.996 27.506 24.341 1.00 0.00 H -ATOM 3 H2 TIP3A 1 33.174 28.935 23.873 1.00 0.00 H -ATOM 4 O1 TIP3A 2 3.320 36.925 32.032 1.00 0.00 O -ATOM 5 H1 TIP3A 2 3.530 36.228 31.411 1.00 0.00 H -ATOM 6 H2 TIP3A 2 2.523 37.324 31.683 1.00 0.00 H -ATOM 7 O1 TIP3A 3 5.839 7.192 30.747 1.00 0.00 O -ATOM 8 H1 TIP3A 3 6.616 7.262 31.301 1.00 0.00 H -ATOM 9 H2 TIP3A 3 5.182 7.733 31.186 1.00 0.00 H -ATOM 10 O1 TIP3A 4 31.676 22.051 30.539 1.00 0.00 O -ATOM 11 H1 TIP3A 4 30.931 22.644 30.625 1.00 0.00 H -ATOM 12 H2 TIP3A 4 31.502 21.353 31.171 1.00 0.00 H -ATOM 13 O1 TIP3A 5 16.096 34.546 2.991 1.00 0.00 O -ATOM 14 H1 TIP3A 5 16.899 34.896 3.375 1.00 0.00 H -ATOM 15 H2 TIP3A 5 15.886 33.782 3.529 1.00 0.00 H -ATOM 16 O1 TIP3A 6 4.330 37.538 36.654 1.00 0.00 O -ATOM 17 H1 TIP3A 6 4.910 38.264 36.880 1.00 0.00 H -ATOM 18 H2 TIP3A 6 3.608 37.603 37.280 1.00 0.00 H -ATOM 19 O1 TIP3A 7 17.104 5.068 3.190 1.00 0.00 O -ATOM 20 H1 TIP3A 7 17.522 5.451 2.419 1.00 0.00 H -ATOM 21 H2 TIP3A 7 16.696 4.264 2.867 1.00 0.00 H -ATOM 22 O1 TIP3A 8 27.499 35.102 24.769 1.00 0.00 O -ATOM 23 H1 TIP3A 8 28.020 35.456 24.049 1.00 0.00 H -ATOM 24 H2 TIP3A 8 27.880 34.239 24.939 1.00 0.00 H -ATOM 25 O1 TIP3A 9 12.056 0.948 11.447 1.00 0.00 O -ATOM 26 H1 TIP3A 9 11.315 1.551 11.487 1.00 0.00 H -ATOM 27 H2 TIP3A 9 11.828 0.247 12.058 1.00 0.00 H -ATOM 28 O1 TIP3A 10 10.622 7.524 6.232 1.00 0.00 O -ATOM 29 H1 TIP3A 10 9.795 7.789 5.831 1.00 0.00 H -ATOM 30 H2 TIP3A 10 11.178 8.301 6.172 1.00 0.00 H -ATOM 31 O1 TIP3A 11 17.852 11.579 2.393 1.00 0.00 O -ATOM 32 H1 TIP3A 11 18.460 12.311 2.495 1.00 0.00 H -ATOM 33 H2 TIP3A 11 18.410 10.832 2.173 1.00 0.00 H -ATOM 34 O1 TIP3A 12 17.785 6.880 30.181 1.00 0.00 O -ATOM 35 H1 TIP3A 12 18.708 6.684 30.339 1.00 0.00 H -ATOM 36 H2 TIP3A 12 17.634 6.612 29.274 1.00 0.00 H -ATOM 37 O1 TIP3A 13 1.094 22.970 30.665 1.00 0.00 O -ATOM 38 H1 TIP3A 13 1.259 23.076 31.601 1.00 0.00 H -ATOM 39 H2 TIP3A 13 1.580 23.684 30.253 1.00 0.00 H -ATOM 40 O1 TIP3A 14 5.597 23.349 21.655 1.00 0.00 O -ATOM 41 H1 TIP3A 14 6.412 23.046 22.052 1.00 0.00 H -ATOM 42 H2 TIP3A 14 5.055 23.622 22.396 1.00 0.00 H -ATOM 43 O1 TIP3A 15 13.861 15.868 37.569 1.00 0.00 O -ATOM 44 H1 TIP3A 15 13.160 15.324 37.212 1.00 0.00 H -ATOM 45 H2 TIP3A 15 13.494 16.753 37.584 1.00 0.00 H -ATOM 46 O1 TIP3A 16 19.003 3.856 29.264 1.00 0.00 O -ATOM 47 H1 TIP3A 16 19.291 3.700 30.163 1.00 0.00 H -ATOM 48 H2 TIP3A 16 18.887 4.805 29.210 1.00 0.00 H -ATOM 49 O1 TIP3A 17 19.988 2.448 38.272 1.00 0.00 O -ATOM 50 H1 TIP3A 17 19.059 2.256 38.398 1.00 0.00 H -ATOM 51 H2 TIP3A 17 20.148 2.261 37.346 1.00 0.00 H -ATOM 52 O1 TIP3A 18 21.303 29.040 19.343 1.00 0.00 O -ATOM 53 H1 TIP3A 18 21.940 29.752 19.287 1.00 0.00 H -ATOM 54 H2 TIP3A 18 21.586 28.412 18.677 1.00 0.00 H -ATOM 55 O1 TIP3A 19 21.806 2.828 11.184 1.00 0.00 O -ATOM 56 H1 TIP3A 19 22.514 3.346 11.565 1.00 0.00 H -ATOM 57 H2 TIP3A 19 21.784 3.091 10.263 1.00 0.00 H -ATOM 58 O1 TIP3A 20 3.325 17.460 27.653 1.00 0.00 O -ATOM 59 H1 TIP3A 20 3.131 16.579 27.971 1.00 0.00 H -ATOM 60 H2 TIP3A 20 2.680 17.613 26.962 1.00 0.00 H -ATOM 61 O1 TIP3A 21 35.560 20.180 19.600 1.00 0.00 O -ATOM 62 H1 TIP3A 21 36.267 19.901 20.182 1.00 0.00 H -ATOM 63 H2 TIP3A 21 35.187 19.363 19.267 1.00 0.00 H -ATOM 64 O1 TIP3A 22 33.872 21.154 13.643 1.00 0.00 O -ATOM 65 H1 TIP3A 22 34.819 21.017 13.619 1.00 0.00 H -ATOM 66 H2 TIP3A 22 33.519 20.501 13.038 1.00 0.00 H -ATOM 67 O1 TIP3A 23 35.237 12.498 0.278 1.00 0.00 O -ATOM 68 H1 TIP3A 23 35.476 13.424 0.270 1.00 0.00 H -ATOM 69 H2 TIP3A 23 34.297 12.491 0.097 1.00 0.00 H -ATOM 70 O1 TIP3A 24 0.001 23.307 18.064 1.00 0.00 O -ATOM 71 H1 TIP3A 24 0.148 22.367 17.967 1.00 0.00 H -ATOM 72 H2 TIP3A 24 0.533 23.557 18.820 1.00 0.00 H -ATOM 73 O1 TIP3A 25 37.752 15.100 31.344 1.00 0.00 O -ATOM 74 H1 TIP3A 25 38.400 15.794 31.460 1.00 0.00 H -ATOM 75 H2 TIP3A 25 36.908 15.553 31.371 1.00 0.00 H -ATOM 76 O1 TIP3A 26 34.734 13.703 13.570 1.00 0.00 O -ATOM 77 H1 TIP3A 26 34.027 14.247 13.916 1.00 0.00 H -ATOM 78 H2 TIP3A 26 34.345 13.251 12.821 1.00 0.00 H -ATOM 79 O1 TIP3A 27 24.121 1.327 24.723 1.00 0.00 O -ATOM 80 H1 TIP3A 27 23.728 1.843 24.020 1.00 0.00 H -ATOM 81 H2 TIP3A 27 24.014 0.418 24.442 1.00 0.00 H -ATOM 82 O1 TIP3A 28 31.669 24.552 14.896 1.00 0.00 O -ATOM 83 H1 TIP3A 28 31.580 25.364 15.393 1.00 0.00 H -ATOM 84 H2 TIP3A 28 32.396 24.091 15.316 1.00 0.00 H -ATOM 85 O1 TIP3A 29 10.572 34.946 28.465 1.00 0.00 O -ATOM 86 H1 TIP3A 29 9.772 34.944 27.941 1.00 0.00 H -ATOM 87 H2 TIP3A 29 10.532 34.132 28.968 1.00 0.00 H -ATOM 88 O1 TIP3A 30 8.352 19.073 25.782 1.00 0.00 O -ATOM 89 H1 TIP3A 30 8.058 18.226 25.448 1.00 0.00 H -ATOM 90 H2 TIP3A 30 7.803 19.714 25.329 1.00 0.00 H -ATOM 91 O1 TIP3A 31 3.722 4.674 2.758 1.00 0.00 O -ATOM 92 H1 TIP3A 31 3.224 5.491 2.754 1.00 0.00 H -ATOM 93 H2 TIP3A 31 4.347 4.770 2.039 1.00 0.00 H -ATOM 94 O1 TIP3A 32 2.054 1.626 25.001 1.00 0.00 O -ATOM 95 H1 TIP3A 32 2.937 1.898 24.752 1.00 0.00 H -ATOM 96 H2 TIP3A 32 2.186 1.037 25.745 1.00 0.00 H -ATOM 97 O1 TIP3A 33 38.400 16.947 20.240 1.00 0.00 O -ATOM 98 H1 TIP3A 33 38.385 17.773 19.759 1.00 0.00 H -ATOM 99 H2 TIP3A 33 38.332 17.203 21.160 1.00 0.00 H -ATOM 100 O1 TIP3A 34 26.325 18.568 17.306 1.00 0.00 O -ATOM 101 H1 TIP3A 34 26.935 18.378 16.594 1.00 0.00 H -ATOM 102 H2 TIP3A 34 26.830 19.104 17.918 1.00 0.00 H -ATOM 103 O1 TIP3A 35 15.728 21.128 29.723 1.00 0.00 O -ATOM 104 H1 TIP3A 35 16.502 21.686 29.786 1.00 0.00 H -ATOM 105 H2 TIP3A 35 15.115 21.495 30.361 1.00 0.00 H -ATOM 106 O1 TIP3A 36 6.545 33.330 34.246 1.00 0.00 O -ATOM 107 H1 TIP3A 36 6.410 32.384 34.262 1.00 0.00 H -ATOM 108 H2 TIP3A 36 7.239 33.485 34.888 1.00 0.00 H -ATOM 109 O1 TIP3A 37 28.886 10.280 16.355 1.00 0.00 O -ATOM 110 H1 TIP3A 37 29.818 10.454 16.225 1.00 0.00 H -ATOM 111 H2 TIP3A 37 28.444 11.015 15.930 1.00 0.00 H -ATOM 112 O1 TIP3A 38 3.800 19.486 31.941 1.00 0.00 O -ATOM 113 H1 TIP3A 38 4.052 19.936 32.747 1.00 0.00 H -ATOM 114 H2 TIP3A 38 3.274 18.742 32.235 1.00 0.00 H -ATOM 115 O1 TIP3A 39 18.353 3.384 32.353 1.00 0.00 O -ATOM 116 H1 TIP3A 39 17.596 2.805 32.443 1.00 0.00 H -ATOM 117 H2 TIP3A 39 18.925 3.147 33.084 1.00 0.00 H -ATOM 118 O1 TIP3A 40 27.793 19.592 4.090 1.00 0.00 O -ATOM 119 H1 TIP3A 40 28.396 20.089 4.642 1.00 0.00 H -ATOM 120 H2 TIP3A 40 27.957 18.676 4.320 1.00 0.00 H -ATOM 121 O1 TIP3A 41 17.755 19.622 34.741 1.00 0.00 O -ATOM 122 H1 TIP3A 41 16.982 19.469 34.198 1.00 0.00 H -ATOM 123 H2 TIP3A 41 18.180 20.383 34.344 1.00 0.00 H -ATOM 124 O1 TIP3A 42 35.678 0.214 30.881 1.00 0.00 O -ATOM 125 H1 TIP3A 42 36.572 0.001 31.144 1.00 0.00 H -ATOM 126 H2 TIP3A 42 35.645 0.001 29.947 1.00 0.00 H -ATOM 127 O1 TIP3A 43 8.371 27.475 17.411 1.00 0.00 O -ATOM 128 H1 TIP3A 43 7.607 27.994 17.162 1.00 0.00 H -ATOM 129 H2 TIP3A 43 8.298 27.381 18.361 1.00 0.00 H -ATOM 130 O1 TIP3A 44 33.459 14.676 24.879 1.00 0.00 O -ATOM 131 H1 TIP3A 44 32.926 14.843 25.655 1.00 0.00 H -ATOM 132 H2 TIP3A 44 32.824 14.554 24.173 1.00 0.00 H -ATOM 133 O1 TIP3A 45 30.483 11.490 18.315 1.00 0.00 O -ATOM 134 H1 TIP3A 45 29.653 11.951 18.429 1.00 0.00 H -ATOM 135 H2 TIP3A 45 30.637 11.060 19.157 1.00 0.00 H -ATOM 136 O1 TIP3A 46 37.430 29.778 36.619 1.00 0.00 O -ATOM 137 H1 TIP3A 46 36.568 29.367 36.676 1.00 0.00 H -ATOM 138 H2 TIP3A 46 37.335 30.441 35.935 1.00 0.00 H -ATOM 139 O1 TIP3A 47 14.535 30.982 30.974 1.00 0.00 O -ATOM 140 H1 TIP3A 47 13.996 31.252 30.232 1.00 0.00 H -ATOM 141 H2 TIP3A 47 14.431 30.031 31.015 1.00 0.00 H -ATOM 142 O1 TIP3A 48 9.470 13.107 2.841 1.00 0.00 O -ATOM 143 H1 TIP3A 48 9.660 13.601 2.044 1.00 0.00 H -ATOM 144 H2 TIP3A 48 9.349 12.205 2.541 1.00 0.00 H -ATOM 145 O1 TIP3A 49 34.394 9.732 16.583 1.00 0.00 O -ATOM 146 H1 TIP3A 49 34.800 8.872 16.682 1.00 0.00 H -ATOM 147 H2 TIP3A 49 34.257 10.038 17.480 1.00 0.00 H -ATOM 148 O1 TIP3A 50 12.818 38.099 17.484 1.00 0.00 O -ATOM 149 H1 TIP3A 50 12.504 38.400 18.336 1.00 0.00 H -ATOM 150 H2 TIP3A 50 12.598 37.167 17.463 1.00 0.00 H -ATOM 151 O1 TIP3A 51 10.796 0.328 37.875 1.00 0.00 O -ATOM 152 H1 TIP3A 51 11.397 0.362 37.132 1.00 0.00 H -ATOM 153 H2 TIP3A 51 11.019 1.097 38.400 1.00 0.00 H -ATOM 154 O1 TIP3A 52 6.512 10.471 16.977 1.00 0.00 O -ATOM 155 H1 TIP3A 52 6.518 9.654 17.475 1.00 0.00 H -ATOM 156 H2 TIP3A 52 7.124 11.041 17.444 1.00 0.00 H -ATOM 157 O1 TIP3A 53 19.800 17.332 34.259 1.00 0.00 O -ATOM 158 H1 TIP3A 53 20.220 17.949 34.857 1.00 0.00 H -ATOM 159 H2 TIP3A 53 20.068 17.624 33.387 1.00 0.00 H -ATOM 160 O1 TIP3A 54 0.135 28.539 31.493 1.00 0.00 O -ATOM 161 H1 TIP3A 54 1.078 28.497 31.650 1.00 0.00 H -ATOM 162 H2 TIP3A 54 0.001 29.384 31.062 1.00 0.00 H -ATOM 163 O1 TIP3A 55 25.887 30.002 5.896 1.00 0.00 O -ATOM 164 H1 TIP3A 55 25.057 29.863 5.441 1.00 0.00 H -ATOM 165 H2 TIP3A 55 25.648 30.056 6.821 1.00 0.00 H -ATOM 166 O1 TIP3A 56 15.433 35.396 16.828 1.00 0.00 O -ATOM 167 H1 TIP3A 56 16.157 36.007 16.967 1.00 0.00 H -ATOM 168 H2 TIP3A 56 15.836 34.529 16.885 1.00 0.00 H -ATOM 169 O1 TIP3A 57 33.828 29.929 38.304 1.00 0.00 O -ATOM 170 H1 TIP3A 57 33.257 30.675 38.122 1.00 0.00 H -ATOM 171 H2 TIP3A 57 34.550 30.022 37.681 1.00 0.00 H -ATOM 172 O1 TIP3A 58 23.684 22.512 10.261 1.00 0.00 O -ATOM 173 H1 TIP3A 58 23.889 21.647 10.612 1.00 0.00 H -ATOM 174 H2 TIP3A 58 24.438 23.053 10.498 1.00 0.00 H -ATOM 175 O1 TIP3A 59 35.495 23.125 31.661 1.00 0.00 O -ATOM 176 H1 TIP3A 59 36.423 23.244 31.461 1.00 0.00 H -ATOM 177 H2 TIP3A 59 35.485 22.520 32.404 1.00 0.00 H -ATOM 178 O1 TIP3A 60 25.569 34.365 30.678 1.00 0.00 O -ATOM 179 H1 TIP3A 60 24.841 34.582 31.258 1.00 0.00 H -ATOM 180 H2 TIP3A 60 26.031 35.194 30.551 1.00 0.00 H -ATOM 181 O1 TIP3A 61 8.296 28.690 3.198 1.00 0.00 O -ATOM 182 H1 TIP3A 61 9.138 28.235 3.193 1.00 0.00 H -ATOM 183 H2 TIP3A 61 7.734 28.160 2.632 1.00 0.00 H -ATOM 184 O1 TIP3A 62 14.891 20.606 27.612 1.00 0.00 O -ATOM 185 H1 TIP3A 62 14.212 20.064 28.012 1.00 0.00 H -ATOM 186 H2 TIP3A 62 14.498 21.477 27.551 1.00 0.00 H -ATOM 187 O1 TIP3A 63 34.689 27.735 35.247 1.00 0.00 O -ATOM 188 H1 TIP3A 63 34.053 27.046 35.055 1.00 0.00 H -ATOM 189 H2 TIP3A 63 34.247 28.547 34.996 1.00 0.00 H -ATOM 190 O1 TIP3A 64 37.078 30.772 3.426 1.00 0.00 O -ATOM 191 H1 TIP3A 64 36.694 30.868 2.556 1.00 0.00 H -ATOM 192 H2 TIP3A 64 37.287 31.667 3.696 1.00 0.00 H -ATOM 193 O1 TIP3A 65 9.944 37.279 32.216 1.00 0.00 O -ATOM 194 H1 TIP3A 65 10.374 36.795 32.920 1.00 0.00 H -ATOM 195 H2 TIP3A 65 10.641 37.809 31.828 1.00 0.00 H -ATOM 196 O1 TIP3A 66 27.135 15.638 33.697 1.00 0.00 O -ATOM 197 H1 TIP3A 66 27.455 14.776 33.432 1.00 0.00 H -ATOM 198 H2 TIP3A 66 27.547 15.797 34.546 1.00 0.00 H -ATOM 199 O1 TIP3A 67 14.958 8.072 35.765 1.00 0.00 O -ATOM 200 H1 TIP3A 67 14.628 7.518 35.058 1.00 0.00 H -ATOM 201 H2 TIP3A 67 15.798 7.680 36.005 1.00 0.00 H -ATOM 202 O1 TIP3A 68 0.631 6.168 12.043 1.00 0.00 O -ATOM 203 H1 TIP3A 68 1.460 6.271 12.508 1.00 0.00 H -ATOM 204 H2 TIP3A 68 0.883 6.055 11.126 1.00 0.00 H -ATOM 205 O1 TIP3A 69 9.446 0.535 12.041 1.00 0.00 O -ATOM 206 H1 TIP3A 69 8.676 0.004 12.243 1.00 0.00 H -ATOM 207 H2 TIP3A 69 9.847 0.712 12.892 1.00 0.00 H -ATOM 208 O1 TIP3A 70 11.329 11.461 13.510 1.00 0.00 O -ATOM 209 H1 TIP3A 70 11.438 10.572 13.175 1.00 0.00 H -ATOM 210 H2 TIP3A 70 11.253 11.353 14.458 1.00 0.00 H -ATOM 211 O1 TIP3A 71 33.514 36.474 7.412 1.00 0.00 O -ATOM 212 H1 TIP3A 71 33.432 35.813 8.098 1.00 0.00 H -ATOM 213 H2 TIP3A 71 33.614 37.300 7.886 1.00 0.00 H -ATOM 214 O1 TIP3A 72 34.125 15.046 28.649 1.00 0.00 O -ATOM 215 H1 TIP3A 72 34.035 14.592 27.812 1.00 0.00 H -ATOM 216 H2 TIP3A 72 33.313 14.851 29.117 1.00 0.00 H -ATOM 217 O1 TIP3A 73 23.670 13.174 16.513 1.00 0.00 O -ATOM 218 H1 TIP3A 73 23.785 12.604 17.273 1.00 0.00 H -ATOM 219 H2 TIP3A 73 24.545 13.238 16.128 1.00 0.00 H -ATOM 220 O1 TIP3A 74 27.566 11.369 13.323 1.00 0.00 O -ATOM 221 H1 TIP3A 74 26.997 12.074 13.629 1.00 0.00 H -ATOM 222 H2 TIP3A 74 28.215 11.806 12.771 1.00 0.00 H -ATOM 223 O1 TIP3A 75 11.774 13.792 23.684 1.00 0.00 O -ATOM 224 H1 TIP3A 75 11.861 12.957 24.143 1.00 0.00 H -ATOM 225 H2 TIP3A 75 12.525 14.308 23.981 1.00 0.00 H -ATOM 226 O1 TIP3A 76 29.022 32.975 3.464 1.00 0.00 O -ATOM 227 H1 TIP3A 76 29.157 32.428 4.238 1.00 0.00 H -ATOM 228 H2 TIP3A 76 28.478 32.440 2.884 1.00 0.00 H -ATOM 229 O1 TIP3A 77 7.808 23.177 18.207 1.00 0.00 O -ATOM 230 H1 TIP3A 77 7.268 23.235 17.419 1.00 0.00 H -ATOM 231 H2 TIP3A 77 8.354 22.403 18.067 1.00 0.00 H -ATOM 232 O1 TIP3A 78 12.480 14.416 5.389 1.00 0.00 O -ATOM 233 H1 TIP3A 78 12.796 14.108 6.238 1.00 0.00 H -ATOM 234 H2 TIP3A 78 13.086 14.033 4.754 1.00 0.00 H -ATOM 235 O1 TIP3A 79 18.479 13.606 22.410 1.00 0.00 O -ATOM 236 H1 TIP3A 79 18.801 12.715 22.535 1.00 0.00 H -ATOM 237 H2 TIP3A 79 18.266 13.911 23.293 1.00 0.00 H -ATOM 238 O1 TIP3A 80 23.598 17.956 7.169 1.00 0.00 O -ATOM 239 H1 TIP3A 80 24.381 18.453 7.405 1.00 0.00 H -ATOM 240 H2 TIP3A 80 23.052 18.581 6.691 1.00 0.00 H -ATOM 241 O1 TIP3A 81 0.009 20.640 28.697 1.00 0.00 O -ATOM 242 H1 TIP3A 81 0.570 20.470 29.453 1.00 0.00 H -ATOM 243 H2 TIP3A 81 -0.004 19.811 28.217 1.00 0.00 H -ATOM 244 O1 TIP3A 82 28.115 7.841 6.219 1.00 0.00 O -ATOM 245 H1 TIP3A 82 28.697 7.955 6.970 1.00 0.00 H -ATOM 246 H2 TIP3A 82 27.650 8.675 6.147 1.00 0.00 H -ATOM 247 O1 TIP3A 83 0.579 31.355 22.827 1.00 0.00 O -ATOM 248 H1 TIP3A 83 0.001 30.749 23.288 1.00 0.00 H -ATOM 249 H2 TIP3A 83 0.000 32.054 22.520 1.00 0.00 H -ATOM 250 O1 TIP3A 84 34.316 13.790 21.353 1.00 0.00 O -ATOM 251 H1 TIP3A 84 34.067 13.605 22.258 1.00 0.00 H -ATOM 252 H2 TIP3A 84 33.603 13.424 20.828 1.00 0.00 H -ATOM 253 O1 TIP3A 85 38.400 20.347 4.833 1.00 0.00 O -ATOM 254 H1 TIP3A 85 38.340 20.491 5.777 1.00 0.00 H -ATOM 255 H2 TIP3A 85 37.672 19.758 4.633 1.00 0.00 H -ATOM 256 O1 TIP3A 86 6.571 16.015 6.250 1.00 0.00 O -ATOM 257 H1 TIP3A 86 6.644 15.205 6.754 1.00 0.00 H -ATOM 258 H2 TIP3A 86 5.656 16.278 6.349 1.00 0.00 H -ATOM 259 O1 TIP3A 87 22.220 19.310 36.419 1.00 0.00 O -ATOM 260 H1 TIP3A 87 21.571 19.795 36.927 1.00 0.00 H -ATOM 261 H2 TIP3A 87 22.228 18.436 36.810 1.00 0.00 H -ATOM 262 O1 TIP3A 88 28.924 37.784 27.794 1.00 0.00 O -ATOM 263 H1 TIP3A 88 28.641 38.345 28.515 1.00 0.00 H -ATOM 264 H2 TIP3A 88 29.203 38.394 27.110 1.00 0.00 H -ATOM 265 O1 TIP3A 89 19.574 29.048 24.586 1.00 0.00 O -ATOM 266 H1 TIP3A 89 20.237 28.364 24.673 1.00 0.00 H -ATOM 267 H2 TIP3A 89 19.841 29.723 25.210 1.00 0.00 H -ATOM 268 O1 TIP3A 90 22.007 3.974 0.875 1.00 0.00 O -ATOM 269 H1 TIP3A 90 21.606 4.136 1.728 1.00 0.00 H -ATOM 270 H2 TIP3A 90 22.368 3.089 0.943 1.00 0.00 H -ATOM 271 O1 TIP3A 91 15.195 4.624 35.529 1.00 0.00 O -ATOM 272 H1 TIP3A 91 15.416 5.549 35.630 1.00 0.00 H -ATOM 273 H2 TIP3A 91 14.884 4.548 34.626 1.00 0.00 H -ATOM 274 O1 TIP3A 92 13.570 4.170 10.824 1.00 0.00 O -ATOM 275 H1 TIP3A 92 14.232 3.485 10.735 1.00 0.00 H -ATOM 276 H2 TIP3A 92 13.912 4.747 11.508 1.00 0.00 H -ATOM 277 O1 TIP3A 93 35.254 7.713 10.950 1.00 0.00 O -ATOM 278 H1 TIP3A 93 34.513 8.264 10.700 1.00 0.00 H -ATOM 279 H2 TIP3A 93 34.984 7.307 11.774 1.00 0.00 H -ATOM 280 O1 TIP3A 94 18.971 6.410 5.207 1.00 0.00 O -ATOM 281 H1 TIP3A 94 19.679 5.898 5.595 1.00 0.00 H -ATOM 282 H2 TIP3A 94 18.712 5.914 4.430 1.00 0.00 H -ATOM 283 O1 TIP3A 95 34.686 23.117 17.921 1.00 0.00 O -ATOM 284 H1 TIP3A 95 35.132 23.618 18.603 1.00 0.00 H -ATOM 285 H2 TIP3A 95 33.870 22.826 18.331 1.00 0.00 H -ATOM 286 O1 TIP3A 96 13.288 21.004 32.783 1.00 0.00 O -ATOM 287 H1 TIP3A 96 13.437 21.945 32.695 1.00 0.00 H -ATOM 288 H2 TIP3A 96 13.905 20.605 32.169 1.00 0.00 H -ATOM 289 O1 TIP3A 97 13.771 5.264 28.440 1.00 0.00 O -ATOM 290 H1 TIP3A 97 12.966 5.561 28.863 1.00 0.00 H -ATOM 291 H2 TIP3A 97 13.763 5.691 27.583 1.00 0.00 H -ATOM 292 O1 TIP3A 98 2.975 19.471 0.831 1.00 0.00 O -ATOM 293 H1 TIP3A 98 3.602 20.190 0.903 1.00 0.00 H -ATOM 294 H2 TIP3A 98 2.231 19.746 1.368 1.00 0.00 H -ATOM 295 O1 TIP3A 99 21.003 5.750 19.799 1.00 0.00 O -ATOM 296 H1 TIP3A 99 20.703 5.582 20.691 1.00 0.00 H -ATOM 297 H2 TIP3A 99 21.439 4.938 19.535 1.00 0.00 H -ATOM 298 O1 TIP3A 100 10.849 32.926 25.728 1.00 0.00 O -ATOM 299 H1 TIP3A 100 10.348 33.393 25.061 1.00 0.00 H -ATOM 300 H2 TIP3A 100 10.249 32.254 26.053 1.00 0.00 H -ATOM 301 O1 TIP3A 101 27.800 7.981 18.489 1.00 0.00 O -ATOM 302 H1 TIP3A 101 28.545 7.983 19.089 1.00 0.00 H -ATOM 303 H2 TIP3A 101 27.196 8.629 18.854 1.00 0.00 H -ATOM 304 O1 TIP3A 102 19.464 27.493 27.421 1.00 0.00 O -ATOM 305 H1 TIP3A 102 19.460 28.143 26.720 1.00 0.00 H -ATOM 306 H2 TIP3A 102 18.805 27.805 28.042 1.00 0.00 H -ATOM 307 O1 TIP3A 103 28.621 34.766 18.394 1.00 0.00 O -ATOM 308 H1 TIP3A 103 29.270 34.477 17.754 1.00 0.00 H -ATOM 309 H2 TIP3A 103 29.138 35.097 19.129 1.00 0.00 H -ATOM 310 O1 TIP3A 104 31.997 21.730 34.626 1.00 0.00 O -ATOM 311 H1 TIP3A 104 32.723 21.178 34.915 1.00 0.00 H -ATOM 312 H2 TIP3A 104 31.797 21.421 33.741 1.00 0.00 H -ATOM 313 O1 TIP3A 105 23.048 36.797 25.463 1.00 0.00 O -ATOM 314 H1 TIP3A 105 23.423 35.917 25.433 1.00 0.00 H -ATOM 315 H2 TIP3A 105 23.763 37.352 25.776 1.00 0.00 H -ATOM 316 O1 TIP3A 106 15.953 10.854 31.671 1.00 0.00 O -ATOM 317 H1 TIP3A 106 15.572 11.698 31.432 1.00 0.00 H -ATOM 318 H2 TIP3A 106 15.747 10.751 32.600 1.00 0.00 H -ATOM 319 O1 TIP3A 107 30.940 19.521 3.931 1.00 0.00 O -ATOM 320 H1 TIP3A 107 30.899 20.038 4.735 1.00 0.00 H -ATOM 321 H2 TIP3A 107 30.249 18.867 4.030 1.00 0.00 H -ATOM 322 O1 TIP3A 108 24.297 3.042 16.980 1.00 0.00 O -ATOM 323 H1 TIP3A 108 25.246 3.074 16.863 1.00 0.00 H -ATOM 324 H2 TIP3A 108 23.946 3.024 16.089 1.00 0.00 H -ATOM 325 O1 TIP3A 109 35.388 20.643 26.599 1.00 0.00 O -ATOM 326 H1 TIP3A 109 35.657 19.751 26.384 1.00 0.00 H -ATOM 327 H2 TIP3A 109 35.998 20.920 27.283 1.00 0.00 H -ATOM 328 O1 TIP3A 110 26.149 29.026 10.836 1.00 0.00 O -ATOM 329 H1 TIP3A 110 25.709 29.809 10.508 1.00 0.00 H -ATOM 330 H2 TIP3A 110 26.531 28.621 10.058 1.00 0.00 H -ATOM 331 O1 TIP3A 111 5.645 37.580 25.516 1.00 0.00 O -ATOM 332 H1 TIP3A 111 6.487 37.648 25.067 1.00 0.00 H -ATOM 333 H2 TIP3A 111 5.616 38.349 26.087 1.00 0.00 H -ATOM 334 O1 TIP3A 112 23.847 8.596 26.616 1.00 0.00 O -ATOM 335 H1 TIP3A 112 24.189 8.180 25.825 1.00 0.00 H -ATOM 336 H2 TIP3A 112 23.094 8.059 26.863 1.00 0.00 H -ATOM 337 O1 TIP3A 113 34.447 38.240 33.890 1.00 0.00 O -ATOM 338 H1 TIP3A 113 35.242 38.182 33.361 1.00 0.00 H -ATOM 339 H2 TIP3A 113 33.748 38.400 33.255 1.00 0.00 H -ATOM 340 O1 TIP3A 114 31.954 38.066 31.652 1.00 0.00 O -ATOM 341 H1 TIP3A 114 31.061 38.387 31.532 1.00 0.00 H -ATOM 342 H2 TIP3A 114 32.434 38.404 30.896 1.00 0.00 H -ATOM 343 O1 TIP3A 115 26.577 27.664 21.645 1.00 0.00 O -ATOM 344 H1 TIP3A 115 26.518 26.733 21.859 1.00 0.00 H -ATOM 345 H2 TIP3A 115 26.713 27.684 20.697 1.00 0.00 H -ATOM 346 O1 TIP3A 116 31.933 27.208 16.803 1.00 0.00 O -ATOM 347 H1 TIP3A 116 31.022 27.033 17.036 1.00 0.00 H -ATOM 348 H2 TIP3A 116 31.890 27.556 15.912 1.00 0.00 H -ATOM 349 O1 TIP3A 117 16.540 32.027 12.677 1.00 0.00 O -ATOM 350 H1 TIP3A 117 17.128 32.761 12.851 1.00 0.00 H -ATOM 351 H2 TIP3A 117 15.783 32.187 13.241 1.00 0.00 H -ATOM 352 O1 TIP3A 118 23.075 24.779 10.526 1.00 0.00 O -ATOM 353 H1 TIP3A 118 22.965 24.599 9.593 1.00 0.00 H -ATOM 354 H2 TIP3A 118 23.303 25.709 10.566 1.00 0.00 H -ATOM 355 O1 TIP3A 119 13.236 34.074 20.521 1.00 0.00 O -ATOM 356 H1 TIP3A 119 12.984 34.782 21.113 1.00 0.00 H -ATOM 357 H2 TIP3A 119 12.564 33.404 20.649 1.00 0.00 H -ATOM 358 O1 TIP3A 120 7.324 15.579 18.920 1.00 0.00 O -ATOM 359 H1 TIP3A 120 8.110 15.115 19.205 1.00 0.00 H -ATOM 360 H2 TIP3A 120 6.601 15.097 19.322 1.00 0.00 H -ATOM 361 O1 TIP3A 121 24.082 30.594 32.863 1.00 0.00 O -ATOM 362 H1 TIP3A 121 23.228 30.805 33.238 1.00 0.00 H -ATOM 363 H2 TIP3A 121 24.496 31.444 32.713 1.00 0.00 H -ATOM 364 O1 TIP3A 122 19.475 8.103 36.270 1.00 0.00 O -ATOM 365 H1 TIP3A 122 20.090 7.628 35.713 1.00 0.00 H -ATOM 366 H2 TIP3A 122 18.643 8.067 35.796 1.00 0.00 H -ATOM 367 O1 TIP3A 123 31.289 29.596 22.776 1.00 0.00 O -ATOM 368 H1 TIP3A 123 30.969 28.703 22.649 1.00 0.00 H -ATOM 369 H2 TIP3A 123 30.676 30.144 22.285 1.00 0.00 H -ATOM 370 O1 TIP3A 124 30.653 34.964 31.231 1.00 0.00 O -ATOM 371 H1 TIP3A 124 30.062 35.709 31.124 1.00 0.00 H -ATOM 372 H2 TIP3A 124 31.191 34.970 30.438 1.00 0.00 H -ATOM 373 O1 TIP3A 125 4.868 10.498 25.362 1.00 0.00 O -ATOM 374 H1 TIP3A 125 4.542 11.076 24.673 1.00 0.00 H -ATOM 375 H2 TIP3A 125 5.332 9.803 24.894 1.00 0.00 H -ATOM 376 O1 TIP3A 126 24.990 26.364 11.818 1.00 0.00 O -ATOM 377 H1 TIP3A 126 25.923 26.567 11.769 1.00 0.00 H -ATOM 378 H2 TIP3A 126 24.622 27.056 12.368 1.00 0.00 H -ATOM 379 O1 TIP3A 127 17.378 28.985 5.887 1.00 0.00 O -ATOM 380 H1 TIP3A 127 18.318 29.128 5.779 1.00 0.00 H -ATOM 381 H2 TIP3A 127 17.098 28.594 5.059 1.00 0.00 H -ATOM 382 O1 TIP3A 128 13.590 6.929 17.164 1.00 0.00 O -ATOM 383 H1 TIP3A 128 14.034 6.213 17.616 1.00 0.00 H -ATOM 384 H2 TIP3A 128 14.130 7.700 17.346 1.00 0.00 H -ATOM 385 O1 TIP3A 129 17.114 33.107 8.292 1.00 0.00 O -ATOM 386 H1 TIP3A 129 17.616 33.002 9.100 1.00 0.00 H -ATOM 387 H2 TIP3A 129 17.078 32.228 7.916 1.00 0.00 H -ATOM 388 O1 TIP3A 130 30.412 34.167 25.254 1.00 0.00 O -ATOM 389 H1 TIP3A 130 30.379 34.754 26.009 1.00 0.00 H -ATOM 390 H2 TIP3A 130 30.014 34.669 24.542 1.00 0.00 H -ATOM 391 O1 TIP3A 131 7.697 5.967 13.824 1.00 0.00 O -ATOM 392 H1 TIP3A 131 7.589 5.232 14.427 1.00 0.00 H -ATOM 393 H2 TIP3A 131 6.854 6.034 13.374 1.00 0.00 H -ATOM 394 O1 TIP3A 132 36.670 26.476 2.123 1.00 0.00 O -ATOM 395 H1 TIP3A 132 36.326 25.994 1.372 1.00 0.00 H -ATOM 396 H2 TIP3A 132 36.683 27.390 1.837 1.00 0.00 H -ATOM 397 O1 TIP3A 133 29.046 17.711 36.402 1.00 0.00 O -ATOM 398 H1 TIP3A 133 29.103 17.408 35.496 1.00 0.00 H -ATOM 399 H2 TIP3A 133 28.219 18.191 36.443 1.00 0.00 H -ATOM 400 O1 TIP3A 134 17.239 28.175 22.079 1.00 0.00 O -ATOM 401 H1 TIP3A 134 16.404 28.575 22.317 1.00 0.00 H -ATOM 402 H2 TIP3A 134 17.248 27.340 22.548 1.00 0.00 H -ATOM 403 O1 TIP3A 135 18.569 7.869 33.263 1.00 0.00 O -ATOM 404 H1 TIP3A 135 19.068 7.253 33.798 1.00 0.00 H -ATOM 405 H2 TIP3A 135 18.555 7.473 32.391 1.00 0.00 H -ATOM 406 O1 TIP3A 136 28.803 24.583 26.992 1.00 0.00 O -ATOM 407 H1 TIP3A 136 29.605 24.777 27.476 1.00 0.00 H -ATOM 408 H2 TIP3A 136 28.729 25.295 26.355 1.00 0.00 H -ATOM 409 O1 TIP3A 137 34.717 24.670 13.033 1.00 0.00 O -ATOM 410 H1 TIP3A 137 34.510 24.723 12.100 1.00 0.00 H -ATOM 411 H2 TIP3A 137 33.869 24.546 13.460 1.00 0.00 H -ATOM 412 O1 TIP3A 138 22.229 33.205 16.976 1.00 0.00 O -ATOM 413 H1 TIP3A 138 22.334 32.272 16.796 1.00 0.00 H -ATOM 414 H2 TIP3A 138 21.398 33.438 16.560 1.00 0.00 H -ATOM 415 O1 TIP3A 139 22.425 34.141 11.443 1.00 0.00 O -ATOM 416 H1 TIP3A 139 22.897 33.673 10.755 1.00 0.00 H -ATOM 417 H2 TIP3A 139 23.089 34.695 11.855 1.00 0.00 H -ATOM 418 O1 TIP3A 140 20.698 36.645 19.224 1.00 0.00 O -ATOM 419 H1 TIP3A 140 21.354 36.396 19.874 1.00 0.00 H -ATOM 420 H2 TIP3A 140 21.203 37.042 18.514 1.00 0.00 H -ATOM 421 O1 TIP3A 141 20.123 1.863 0.829 1.00 0.00 O -ATOM 422 H1 TIP3A 141 19.870 2.602 1.381 1.00 0.00 H -ATOM 423 H2 TIP3A 141 19.667 2.016 0.000 1.00 0.00 H -ATOM 424 O1 TIP3A 142 13.663 4.122 2.504 1.00 0.00 O -ATOM 425 H1 TIP3A 142 14.258 4.847 2.689 1.00 0.00 H -ATOM 426 H2 TIP3A 142 14.233 3.413 2.205 1.00 0.00 H -ATOM 427 O1 TIP3A 143 35.044 17.008 4.732 1.00 0.00 O -ATOM 428 H1 TIP3A 143 35.108 17.957 4.632 1.00 0.00 H -ATOM 429 H2 TIP3A 143 34.451 16.733 4.031 1.00 0.00 H -ATOM 430 O1 TIP3A 144 13.744 7.717 38.219 1.00 0.00 O -ATOM 431 H1 TIP3A 144 13.997 8.479 37.700 1.00 0.00 H -ATOM 432 H2 TIP3A 144 12.812 7.845 38.397 1.00 0.00 H -ATOM 433 O1 TIP3A 145 33.338 37.810 22.736 1.00 0.00 O -ATOM 434 H1 TIP3A 145 33.114 38.385 23.466 1.00 0.00 H -ATOM 435 H2 TIP3A 145 33.705 38.395 22.073 1.00 0.00 H -ATOM 436 O1 TIP3A 146 13.386 11.126 10.494 1.00 0.00 O -ATOM 437 H1 TIP3A 146 12.438 11.096 10.613 1.00 0.00 H -ATOM 438 H2 TIP3A 146 13.553 10.551 9.746 1.00 0.00 H -ATOM 439 O1 TIP3A 147 4.735 14.461 21.919 1.00 0.00 O -ATOM 440 H1 TIP3A 147 5.417 14.872 21.389 1.00 0.00 H -ATOM 441 H2 TIP3A 147 4.822 13.525 21.740 1.00 0.00 H -ATOM 442 O1 TIP3A 148 27.297 5.118 6.834 1.00 0.00 O -ATOM 443 H1 TIP3A 148 26.383 5.252 7.082 1.00 0.00 H -ATOM 444 H2 TIP3A 148 27.661 4.581 7.539 1.00 0.00 H -ATOM 445 O1 TIP3A 149 32.894 10.738 4.928 1.00 0.00 O -ATOM 446 H1 TIP3A 149 32.462 10.697 5.780 1.00 0.00 H -ATOM 447 H2 TIP3A 149 32.627 11.581 4.563 1.00 0.00 H -ATOM 448 O1 TIP3A 150 3.566 28.843 25.052 1.00 0.00 O -ATOM 449 H1 TIP3A 150 4.112 29.517 24.648 1.00 0.00 H -ATOM 450 H2 TIP3A 150 3.315 29.212 25.899 1.00 0.00 H -ATOM 451 O1 TIP3A 151 27.983 33.724 31.204 1.00 0.00 O -ATOM 452 H1 TIP3A 151 28.827 33.802 31.646 1.00 0.00 H -ATOM 453 H2 TIP3A 151 28.185 33.849 30.276 1.00 0.00 H -ATOM 454 O1 TIP3A 152 13.572 10.546 0.571 1.00 0.00 O -ATOM 455 H1 TIP3A 152 13.724 9.636 0.821 1.00 0.00 H -ATOM 456 H2 TIP3A 152 12.803 10.514 0.001 1.00 0.00 H -ATOM 457 O1 TIP3A 153 3.375 34.095 32.625 1.00 0.00 O -ATOM 458 H1 TIP3A 153 4.009 34.139 31.910 1.00 0.00 H -ATOM 459 H2 TIP3A 153 3.498 33.223 33.002 1.00 0.00 H -ATOM 460 O1 TIP3A 154 14.097 10.167 29.627 1.00 0.00 O -ATOM 461 H1 TIP3A 154 14.163 10.182 30.581 1.00 0.00 H -ATOM 462 H2 TIP3A 154 14.672 9.449 29.358 1.00 0.00 H -ATOM 463 O1 TIP3A 155 10.658 16.353 15.049 1.00 0.00 O -ATOM 464 H1 TIP3A 155 9.873 15.891 15.343 1.00 0.00 H -ATOM 465 H2 TIP3A 155 10.341 17.216 14.778 1.00 0.00 H -ATOM 466 O1 TIP3A 156 16.892 32.986 18.205 1.00 0.00 O -ATOM 467 H1 TIP3A 156 17.749 33.400 18.296 1.00 0.00 H -ATOM 468 H2 TIP3A 156 16.454 33.154 19.041 1.00 0.00 H -ATOM 469 O1 TIP3A 157 36.204 6.450 15.612 1.00 0.00 O -ATOM 470 H1 TIP3A 157 35.974 7.378 15.573 1.00 0.00 H -ATOM 471 H2 TIP3A 157 36.977 6.370 15.052 1.00 0.00 H -ATOM 472 O1 TIP3A 158 15.504 2.406 25.202 1.00 0.00 O -ATOM 473 H1 TIP3A 158 16.347 1.955 25.215 1.00 0.00 H -ATOM 474 H2 TIP3A 158 14.963 1.889 24.604 1.00 0.00 H -ATOM 475 O1 TIP3A 159 21.248 33.657 25.675 1.00 0.00 O -ATOM 476 H1 TIP3A 159 20.729 33.857 24.897 1.00 0.00 H -ATOM 477 H2 TIP3A 159 22.025 33.210 25.337 1.00 0.00 H -ATOM 478 O1 TIP3A 160 22.110 6.500 3.631 1.00 0.00 O -ATOM 479 H1 TIP3A 160 22.555 7.345 3.691 1.00 0.00 H -ATOM 480 H2 TIP3A 160 21.450 6.526 4.324 1.00 0.00 H -ATOM 481 O1 TIP3A 161 21.810 29.098 10.716 1.00 0.00 O -ATOM 482 H1 TIP3A 161 21.027 29.068 10.167 1.00 0.00 H -ATOM 483 H2 TIP3A 161 21.618 28.501 11.440 1.00 0.00 H -ATOM 484 O1 TIP3A 162 13.944 12.085 6.160 1.00 0.00 O -ATOM 485 H1 TIP3A 162 14.521 12.296 5.427 1.00 0.00 H -ATOM 486 H2 TIP3A 162 13.174 11.688 5.752 1.00 0.00 H -ATOM 487 O1 TIP3A 163 35.273 28.136 0.043 1.00 0.00 O -ATOM 488 H1 TIP3A 163 36.163 28.484 0.000 1.00 0.00 H -ATOM 489 H2 TIP3A 163 34.836 28.673 0.705 1.00 0.00 H -ATOM 490 O1 TIP3A 164 10.193 22.025 32.377 1.00 0.00 O -ATOM 491 H1 TIP3A 164 9.613 21.391 31.956 1.00 0.00 H -ATOM 492 H2 TIP3A 164 10.991 21.530 32.567 1.00 0.00 H -ATOM 493 O1 TIP3A 165 11.764 10.573 38.330 1.00 0.00 O -ATOM 494 H1 TIP3A 165 11.639 11.255 37.671 1.00 0.00 H -ATOM 495 H2 TIP3A 165 11.278 9.820 37.992 1.00 0.00 H -ATOM 496 O1 TIP3A 166 8.178 34.309 23.055 1.00 0.00 O -ATOM 497 H1 TIP3A 166 7.566 33.607 23.274 1.00 0.00 H -ATOM 498 H2 TIP3A 166 9.038 33.959 23.288 1.00 0.00 H -ATOM 499 O1 TIP3A 167 31.842 1.512 31.103 1.00 0.00 O -ATOM 500 H1 TIP3A 167 31.123 0.932 30.856 1.00 0.00 H -ATOM 501 H2 TIP3A 167 31.717 2.294 30.564 1.00 0.00 H -ATOM 502 O1 TIP3A 168 36.830 2.789 25.193 1.00 0.00 O -ATOM 503 H1 TIP3A 168 37.743 3.072 25.235 1.00 0.00 H -ATOM 504 H2 TIP3A 168 36.458 3.054 26.036 1.00 0.00 H -ATOM 505 O1 TIP3A 169 24.280 22.171 20.125 1.00 0.00 O -ATOM 506 H1 TIP3A 169 23.482 21.669 19.961 1.00 0.00 H -ATOM 507 H2 TIP3A 169 24.788 21.625 20.727 1.00 0.00 H -ATOM 508 O1 TIP3A 170 18.885 37.190 11.871 1.00 0.00 O -ATOM 509 H1 TIP3A 170 18.797 38.089 12.184 1.00 0.00 H -ATOM 510 H2 TIP3A 170 18.399 36.665 12.508 1.00 0.00 H -ATOM 511 O1 TIP3A 171 2.074 3.785 13.118 1.00 0.00 O -ATOM 512 H1 TIP3A 171 1.343 4.071 12.571 1.00 0.00 H -ATOM 513 H2 TIP3A 171 1.914 2.852 13.262 1.00 0.00 H -ATOM 514 O1 TIP3A 172 11.636 4.875 15.391 1.00 0.00 O -ATOM 515 H1 TIP3A 172 12.398 4.300 15.455 1.00 0.00 H -ATOM 516 H2 TIP3A 172 11.823 5.590 16.000 1.00 0.00 H -ATOM 517 O1 TIP3A 173 9.101 18.632 28.372 1.00 0.00 O -ATOM 518 H1 TIP3A 173 9.413 18.243 27.555 1.00 0.00 H -ATOM 519 H2 TIP3A 173 8.293 18.156 28.571 1.00 0.00 H -ATOM 520 O1 TIP3A 174 9.543 19.887 8.645 1.00 0.00 O -ATOM 521 H1 TIP3A 174 10.266 19.261 8.639 1.00 0.00 H -ATOM 522 H2 TIP3A 174 8.758 19.347 8.743 1.00 0.00 H -ATOM 523 O1 TIP3A 175 20.795 35.420 26.935 1.00 0.00 O -ATOM 524 H1 TIP3A 175 21.736 35.495 26.780 1.00 0.00 H -ATOM 525 H2 TIP3A 175 20.657 35.840 27.784 1.00 0.00 H -ATOM 526 O1 TIP3A 176 33.851 2.937 33.635 1.00 0.00 O -ATOM 527 H1 TIP3A 176 33.092 3.491 33.455 1.00 0.00 H -ATOM 528 H2 TIP3A 176 33.762 2.700 34.558 1.00 0.00 H -ATOM 529 O1 TIP3A 177 14.691 4.659 23.032 1.00 0.00 O -ATOM 530 H1 TIP3A 177 15.073 3.789 22.921 1.00 0.00 H -ATOM 531 H2 TIP3A 177 14.091 4.754 22.292 1.00 0.00 H -ATOM 532 O1 TIP3A 178 5.867 12.813 9.468 1.00 0.00 O -ATOM 533 H1 TIP3A 178 5.128 13.383 9.679 1.00 0.00 H -ATOM 534 H2 TIP3A 178 6.627 13.396 9.463 1.00 0.00 H -ATOM 535 O1 TIP3A 179 14.664 16.806 17.521 1.00 0.00 O -ATOM 536 H1 TIP3A 179 13.834 17.265 17.402 1.00 0.00 H -ATOM 537 H2 TIP3A 179 14.522 16.247 18.286 1.00 0.00 H -ATOM 538 O1 TIP3A 180 35.567 12.845 18.935 1.00 0.00 O -ATOM 539 H1 TIP3A 180 34.998 13.588 19.134 1.00 0.00 H -ATOM 540 H2 TIP3A 180 36.210 13.195 18.318 1.00 0.00 H -ATOM 541 O1 TIP3A 181 17.679 20.150 3.231 1.00 0.00 O -ATOM 542 H1 TIP3A 181 17.584 19.975 2.296 1.00 0.00 H -ATOM 543 H2 TIP3A 181 17.193 19.443 3.658 1.00 0.00 H -ATOM 544 O1 TIP3A 182 32.615 37.469 16.278 1.00 0.00 O -ATOM 545 H1 TIP3A 182 33.446 37.163 15.917 1.00 0.00 H -ATOM 546 H2 TIP3A 182 32.759 38.398 16.458 1.00 0.00 H -ATOM 547 O1 TIP3A 183 28.413 23.319 31.073 1.00 0.00 O -ATOM 548 H1 TIP3A 183 29.066 23.810 30.574 1.00 0.00 H -ATOM 549 H2 TIP3A 183 28.509 23.636 31.971 1.00 0.00 H -ATOM 550 O1 TIP3A 184 4.752 37.950 34.121 1.00 0.00 O -ATOM 551 H1 TIP3A 184 3.910 38.400 34.056 1.00 0.00 H -ATOM 552 H2 TIP3A 184 5.315 38.400 33.491 1.00 0.00 H -ATOM 553 O1 TIP3A 185 21.450 22.357 32.571 1.00 0.00 O -ATOM 554 H1 TIP3A 185 20.573 22.731 32.508 1.00 0.00 H -ATOM 555 H2 TIP3A 185 21.971 22.856 31.941 1.00 0.00 H -ATOM 556 O1 TIP3A 186 23.515 20.726 22.808 1.00 0.00 O -ATOM 557 H1 TIP3A 186 23.715 19.828 23.068 1.00 0.00 H -ATOM 558 H2 TIP3A 186 22.570 20.810 22.941 1.00 0.00 H -ATOM 559 O1 TIP3A 187 18.584 9.963 37.096 1.00 0.00 O -ATOM 560 H1 TIP3A 187 17.699 9.603 37.146 1.00 0.00 H -ATOM 561 H2 TIP3A 187 18.516 10.678 36.462 1.00 0.00 H -ATOM 562 O1 TIP3A 188 20.623 36.223 5.878 1.00 0.00 O -ATOM 563 H1 TIP3A 188 20.354 35.328 6.085 1.00 0.00 H -ATOM 564 H2 TIP3A 188 21.564 36.159 5.714 1.00 0.00 H -ATOM 565 O1 TIP3A 189 20.676 28.673 4.417 1.00 0.00 O -ATOM 566 H1 TIP3A 189 20.996 28.541 5.309 1.00 0.00 H -ATOM 567 H2 TIP3A 189 21.312 29.269 4.019 1.00 0.00 H -ATOM 568 O1 TIP3A 190 33.777 17.482 23.310 1.00 0.00 O -ATOM 569 H1 TIP3A 190 32.986 16.958 23.435 1.00 0.00 H -ATOM 570 H2 TIP3A 190 34.385 17.162 23.977 1.00 0.00 H -ATOM 571 O1 TIP3A 191 10.095 16.251 12.093 1.00 0.00 O -ATOM 572 H1 TIP3A 191 10.931 16.709 12.004 1.00 0.00 H -ATOM 573 H2 TIP3A 191 10.150 15.814 12.943 1.00 0.00 H -ATOM 574 O1 TIP3A 192 20.704 30.329 17.137 1.00 0.00 O -ATOM 575 H1 TIP3A 192 20.872 30.985 17.813 1.00 0.00 H -ATOM 576 H2 TIP3A 192 20.162 29.670 17.571 1.00 0.00 H -ATOM 577 O1 TIP3A 193 31.958 12.664 16.112 1.00 0.00 O -ATOM 578 H1 TIP3A 193 32.458 12.120 15.505 1.00 0.00 H -ATOM 579 H2 TIP3A 193 31.102 12.240 16.166 1.00 0.00 H -ATOM 580 O1 TIP3A 194 28.935 32.323 16.831 1.00 0.00 O -ATOM 581 H1 TIP3A 194 29.813 32.552 16.528 1.00 0.00 H -ATOM 582 H2 TIP3A 194 29.064 31.545 17.375 1.00 0.00 H -ATOM 583 O1 TIP3A 195 20.206 17.745 7.818 1.00 0.00 O -ATOM 584 H1 TIP3A 195 20.931 17.648 8.434 1.00 0.00 H -ATOM 585 H2 TIP3A 195 20.561 17.446 6.980 1.00 0.00 H -ATOM 586 O1 TIP3A 196 6.708 22.007 1.167 1.00 0.00 O -ATOM 587 H1 TIP3A 196 7.043 22.902 1.202 1.00 0.00 H -ATOM 588 H2 TIP3A 196 5.982 21.997 1.791 1.00 0.00 H -ATOM 589 O1 TIP3A 197 11.053 36.698 21.872 1.00 0.00 O -ATOM 590 H1 TIP3A 197 11.384 36.623 20.977 1.00 0.00 H -ATOM 591 H2 TIP3A 197 11.021 35.796 22.192 1.00 0.00 H -ATOM 592 O1 TIP3A 198 27.184 38.173 31.370 1.00 0.00 O -ATOM 593 H1 TIP3A 198 26.975 37.307 31.721 1.00 0.00 H -ATOM 594 H2 TIP3A 198 26.424 38.404 30.835 1.00 0.00 H -ATOM 595 O1 TIP3A 199 32.110 7.574 6.741 1.00 0.00 O -ATOM 596 H1 TIP3A 199 32.011 8.321 6.153 1.00 0.00 H -ATOM 597 H2 TIP3A 199 33.053 7.406 6.759 1.00 0.00 H -ATOM 598 O1 TIP3A 200 4.842 0.629 17.222 1.00 0.00 O -ATOM 599 H1 TIP3A 200 4.684 1.285 16.544 1.00 0.00 H -ATOM 600 H2 TIP3A 200 5.760 0.382 17.108 1.00 0.00 H -ATOM 601 O1 TIP3A 201 13.851 11.663 23.077 1.00 0.00 O -ATOM 602 H1 TIP3A 201 12.939 11.591 22.796 1.00 0.00 H -ATOM 603 H2 TIP3A 201 14.290 12.112 22.354 1.00 0.00 H -ATOM 604 O1 TIP3A 202 26.812 27.328 34.008 1.00 0.00 O -ATOM 605 H1 TIP3A 202 26.900 26.809 34.807 1.00 0.00 H -ATOM 606 H2 TIP3A 202 26.061 27.897 34.173 1.00 0.00 H -ATOM 607 O1 TIP3A 203 32.311 19.609 20.249 1.00 0.00 O -ATOM 608 H1 TIP3A 203 33.164 19.197 20.114 1.00 0.00 H -ATOM 609 H2 TIP3A 203 31.957 19.178 21.028 1.00 0.00 H -ATOM 610 O1 TIP3A 204 14.598 23.665 29.266 1.00 0.00 O -ATOM 611 H1 TIP3A 204 13.945 22.967 29.224 1.00 0.00 H -ATOM 612 H2 TIP3A 204 14.135 24.446 28.958 1.00 0.00 H -ATOM 613 O1 TIP3A 205 14.721 2.758 27.407 1.00 0.00 O -ATOM 614 H1 TIP3A 205 13.809 3.038 27.464 1.00 0.00 H -ATOM 615 H2 TIP3A 205 15.221 3.574 27.370 1.00 0.00 H -ATOM 616 O1 TIP3A 206 8.030 3.546 34.646 1.00 0.00 O -ATOM 617 H1 TIP3A 206 7.210 3.068 34.765 1.00 0.00 H -ATOM 618 H2 TIP3A 206 7.971 3.906 33.760 1.00 0.00 H -ATOM 619 O1 TIP3A 207 20.849 25.481 30.340 1.00 0.00 O -ATOM 620 H1 TIP3A 207 21.799 25.572 30.272 1.00 0.00 H -ATOM 621 H2 TIP3A 207 20.721 24.722 30.909 1.00 0.00 H -ATOM 622 O1 TIP3A 208 20.569 30.170 37.545 1.00 0.00 O -ATOM 623 H1 TIP3A 208 20.984 30.278 38.400 1.00 0.00 H -ATOM 624 H2 TIP3A 208 19.761 30.681 37.603 1.00 0.00 H -ATOM 625 O1 TIP3A 209 16.536 12.386 35.955 1.00 0.00 O -ATOM 626 H1 TIP3A 209 15.983 11.620 35.807 1.00 0.00 H -ATOM 627 H2 TIP3A 209 16.513 12.862 35.124 1.00 0.00 H -ATOM 628 O1 TIP3A 210 5.436 13.912 37.638 1.00 0.00 O -ATOM 629 H1 TIP3A 210 4.491 13.770 37.597 1.00 0.00 H -ATOM 630 H2 TIP3A 210 5.721 13.409 38.401 1.00 0.00 H -ATOM 631 O1 TIP3A 211 29.869 14.750 27.696 1.00 0.00 O -ATOM 632 H1 TIP3A 211 30.007 15.491 27.107 1.00 0.00 H -ATOM 633 H2 TIP3A 211 30.640 14.750 28.265 1.00 0.00 H -ATOM 634 O1 TIP3A 212 33.218 21.440 5.588 1.00 0.00 O -ATOM 635 H1 TIP3A 212 33.063 20.522 5.367 1.00 0.00 H -ATOM 636 H2 TIP3A 212 32.687 21.931 4.961 1.00 0.00 H -ATOM 637 O1 TIP3A 213 2.919 34.729 14.951 1.00 0.00 O -ATOM 638 H1 TIP3A 213 2.209 34.816 14.316 1.00 0.00 H -ATOM 639 H2 TIP3A 213 3.325 35.596 14.977 1.00 0.00 H -ATOM 640 O1 TIP3A 214 10.612 10.203 7.262 1.00 0.00 O -ATOM 641 H1 TIP3A 214 11.044 10.976 6.900 1.00 0.00 H -ATOM 642 H2 TIP3A 214 9.705 10.273 6.963 1.00 0.00 H -ATOM 643 O1 TIP3A 215 11.994 20.287 10.912 1.00 0.00 O -ATOM 644 H1 TIP3A 215 11.646 19.621 10.320 1.00 0.00 H -ATOM 645 H2 TIP3A 215 12.490 20.878 10.344 1.00 0.00 H -ATOM 646 O1 TIP3A 216 14.647 23.062 35.062 1.00 0.00 O -ATOM 647 H1 TIP3A 216 14.588 22.977 36.013 1.00 0.00 H -ATOM 648 H2 TIP3A 216 13.905 22.556 34.730 1.00 0.00 H -ATOM 649 O1 TIP3A 217 34.669 27.941 32.832 1.00 0.00 O -ATOM 650 H1 TIP3A 217 33.718 28.037 32.870 1.00 0.00 H -ATOM 651 H2 TIP3A 217 34.809 27.013 32.642 1.00 0.00 H -ATOM 652 O1 TIP3A 218 4.826 24.221 19.195 1.00 0.00 O -ATOM 653 H1 TIP3A 218 4.068 24.661 19.577 1.00 0.00 H -ATOM 654 H2 TIP3A 218 5.560 24.476 19.756 1.00 0.00 H -ATOM 655 O1 TIP3A 219 17.849 35.726 10.597 1.00 0.00 O -ATOM 656 H1 TIP3A 219 17.072 35.624 10.049 1.00 0.00 H -ATOM 657 H2 TIP3A 219 18.281 34.872 10.563 1.00 0.00 H -ATOM 658 O1 TIP3A 220 30.276 3.634 20.734 1.00 0.00 O -ATOM 659 H1 TIP3A 220 30.925 3.784 21.419 1.00 0.00 H -ATOM 660 H2 TIP3A 220 29.557 3.182 21.178 1.00 0.00 H -ATOM 661 O1 TIP3A 221 18.681 35.106 15.721 1.00 0.00 O -ATOM 662 H1 TIP3A 221 18.700 36.060 15.654 1.00 0.00 H -ATOM 663 H2 TIP3A 221 19.332 34.807 15.086 1.00 0.00 H -ATOM 664 O1 TIP3A 222 23.155 0.504 30.473 1.00 0.00 O -ATOM 665 H1 TIP3A 222 23.964 0.000 30.550 1.00 0.00 H -ATOM 666 H2 TIP3A 222 22.615 0.000 29.863 1.00 0.00 H -ATOM 667 O1 TIP3A 223 10.628 12.104 19.542 1.00 0.00 O -ATOM 668 H1 TIP3A 223 10.908 12.868 19.039 1.00 0.00 H -ATOM 669 H2 TIP3A 223 10.324 12.464 20.376 1.00 0.00 H -ATOM 670 O1 TIP3A 224 16.557 5.618 18.455 1.00 0.00 O -ATOM 671 H1 TIP3A 224 15.829 6.068 18.882 1.00 0.00 H -ATOM 672 H2 TIP3A 224 16.188 5.286 17.636 1.00 0.00 H -ATOM 673 O1 TIP3A 225 15.608 10.345 23.203 1.00 0.00 O -ATOM 674 H1 TIP3A 225 15.511 10.199 24.143 1.00 0.00 H -ATOM 675 H2 TIP3A 225 15.007 9.718 22.799 1.00 0.00 H -ATOM 676 O1 TIP3A 226 32.184 11.035 11.456 1.00 0.00 O -ATOM 677 H1 TIP3A 226 31.416 10.828 11.988 1.00 0.00 H -ATOM 678 H2 TIP3A 226 31.848 11.087 10.560 1.00 0.00 H -ATOM 679 O1 TIP3A 227 21.814 35.170 22.835 1.00 0.00 O -ATOM 680 H1 TIP3A 227 21.123 34.508 22.832 1.00 0.00 H -ATOM 681 H2 TIP3A 227 22.461 34.838 23.459 1.00 0.00 H -ATOM 682 O1 TIP3A 228 11.937 1.176 32.043 1.00 0.00 O -ATOM 683 H1 TIP3A 228 12.139 0.291 32.344 1.00 0.00 H -ATOM 684 H2 TIP3A 228 12.389 1.750 32.662 1.00 0.00 H -ATOM 685 O1 TIP3A 229 3.381 7.181 5.724 1.00 0.00 O -ATOM 686 H1 TIP3A 229 3.674 7.913 5.182 1.00 0.00 H -ATOM 687 H2 TIP3A 229 2.766 7.572 6.344 1.00 0.00 H -ATOM 688 O1 TIP3A 230 14.308 30.659 34.976 1.00 0.00 O -ATOM 689 H1 TIP3A 230 13.697 29.953 35.184 1.00 0.00 H -ATOM 690 H2 TIP3A 230 15.175 30.264 35.074 1.00 0.00 H -ATOM 691 O1 TIP3A 231 8.192 32.768 25.297 1.00 0.00 O -ATOM 692 H1 TIP3A 231 8.563 32.177 24.643 1.00 0.00 H -ATOM 693 H2 TIP3A 231 8.036 32.213 26.062 1.00 0.00 H -ATOM 694 O1 TIP3A 232 1.286 29.280 19.891 1.00 0.00 O -ATOM 695 H1 TIP3A 232 0.919 29.834 20.579 1.00 0.00 H -ATOM 696 H2 TIP3A 232 0.664 28.556 19.807 1.00 0.00 H -ATOM 697 O1 TIP3A 233 31.820 29.743 25.406 1.00 0.00 O -ATOM 698 H1 TIP3A 233 30.968 29.369 25.631 1.00 0.00 H -ATOM 699 H2 TIP3A 233 31.618 30.439 24.780 1.00 0.00 H -ATOM 700 O1 TIP3A 234 18.274 26.620 14.497 1.00 0.00 O -ATOM 701 H1 TIP3A 234 18.295 27.576 14.480 1.00 0.00 H -ATOM 702 H2 TIP3A 234 17.666 26.406 15.206 1.00 0.00 H -ATOM 703 O1 TIP3A 235 17.780 9.299 30.639 1.00 0.00 O -ATOM 704 H1 TIP3A 235 17.934 9.972 31.301 1.00 0.00 H -ATOM 705 H2 TIP3A 235 18.634 8.881 30.519 1.00 0.00 H -ATOM 706 O1 TIP3A 236 19.158 8.414 26.241 1.00 0.00 O -ATOM 707 H1 TIP3A 236 19.307 8.101 25.349 1.00 0.00 H -ATOM 708 H2 TIP3A 236 19.622 7.786 26.796 1.00 0.00 H -ATOM 709 O1 TIP3A 237 10.813 21.896 23.217 1.00 0.00 O -ATOM 710 H1 TIP3A 237 11.263 21.052 23.240 1.00 0.00 H -ATOM 711 H2 TIP3A 237 11.236 22.413 23.904 1.00 0.00 H -ATOM 712 O1 TIP3A 238 2.739 15.967 31.048 1.00 0.00 O -ATOM 713 H1 TIP3A 238 2.690 16.701 31.660 1.00 0.00 H -ATOM 714 H2 TIP3A 238 2.785 16.377 30.184 1.00 0.00 H -ATOM 715 O1 TIP3A 239 21.125 16.380 18.029 1.00 0.00 O -ATOM 716 H1 TIP3A 239 20.202 16.607 17.925 1.00 0.00 H -ATOM 717 H2 TIP3A 239 21.585 16.959 17.421 1.00 0.00 H -ATOM 718 O1 TIP3A 240 12.499 7.423 34.149 1.00 0.00 O -ATOM 719 H1 TIP3A 240 11.922 8.184 34.188 1.00 0.00 H -ATOM 720 H2 TIP3A 240 12.201 6.859 34.864 1.00 0.00 H -ATOM 721 O1 TIP3A 241 8.140 5.499 30.165 1.00 0.00 O -ATOM 722 H1 TIP3A 241 8.426 4.701 30.609 1.00 0.00 H -ATOM 723 H2 TIP3A 241 8.459 6.210 30.721 1.00 0.00 H -ATOM 724 O1 TIP3A 242 27.447 35.287 9.232 1.00 0.00 O -ATOM 725 H1 TIP3A 242 26.679 35.803 8.992 1.00 0.00 H -ATOM 726 H2 TIP3A 242 27.306 34.437 8.813 1.00 0.00 H -ATOM 727 O1 TIP3A 243 28.525 14.125 4.740 1.00 0.00 O -ATOM 728 H1 TIP3A 243 28.748 14.838 5.338 1.00 0.00 H -ATOM 729 H2 TIP3A 243 29.371 13.780 4.452 1.00 0.00 H -ATOM 730 O1 TIP3A 244 9.677 5.079 12.989 1.00 0.00 O -ATOM 731 H1 TIP3A 244 9.858 5.553 13.801 1.00 0.00 H -ATOM 732 H2 TIP3A 244 9.296 4.249 13.276 1.00 0.00 H -ATOM 733 O1 TIP3A 245 31.507 25.570 34.913 1.00 0.00 O -ATOM 734 H1 TIP3A 245 31.417 26.522 34.952 1.00 0.00 H -ATOM 735 H2 TIP3A 245 31.983 25.407 34.097 1.00 0.00 H -ATOM 736 O1 TIP3A 246 15.579 0.897 3.172 1.00 0.00 O -ATOM 737 H1 TIP3A 246 14.693 0.912 3.531 1.00 0.00 H -ATOM 738 H2 TIP3A 246 15.694 0.001 2.853 1.00 0.00 H -ATOM 739 O1 TIP3A 247 23.979 23.150 28.144 1.00 0.00 O -ATOM 740 H1 TIP3A 247 24.921 23.230 27.997 1.00 0.00 H -ATOM 741 H2 TIP3A 247 23.774 23.842 28.774 1.00 0.00 H -ATOM 742 O1 TIP3A 248 12.526 2.301 9.778 1.00 0.00 O -ATOM 743 H1 TIP3A 248 12.530 3.079 9.222 1.00 0.00 H -ATOM 744 H2 TIP3A 248 13.073 1.669 9.310 1.00 0.00 H -ATOM 745 O1 TIP3A 249 6.883 7.469 7.793 1.00 0.00 O -ATOM 746 H1 TIP3A 249 6.117 8.038 7.728 1.00 0.00 H -ATOM 747 H2 TIP3A 249 7.539 7.883 7.231 1.00 0.00 H -ATOM 748 O1 TIP3A 250 25.242 8.469 14.592 1.00 0.00 O -ATOM 749 H1 TIP3A 250 25.809 9.097 14.145 1.00 0.00 H -ATOM 750 H2 TIP3A 250 24.515 8.996 14.924 1.00 0.00 H -ATOM 751 O1 TIP3A 251 23.040 21.639 25.552 1.00 0.00 O -ATOM 752 H1 TIP3A 251 23.817 21.394 25.050 1.00 0.00 H -ATOM 753 H2 TIP3A 251 22.785 22.492 25.198 1.00 0.00 H -ATOM 754 O1 TIP3A 252 38.391 17.006 36.778 1.00 0.00 O -ATOM 755 H1 TIP3A 252 38.400 17.700 36.120 1.00 0.00 H -ATOM 756 H2 TIP3A 252 38.399 16.193 36.271 1.00 0.00 H -ATOM 757 O1 TIP3A 253 16.024 35.350 5.879 1.00 0.00 O -ATOM 758 H1 TIP3A 253 16.394 35.954 5.236 1.00 0.00 H -ATOM 759 H2 TIP3A 253 16.356 34.490 5.620 1.00 0.00 H -ATOM 760 O1 TIP3A 254 8.025 19.530 33.612 1.00 0.00 O -ATOM 761 H1 TIP3A 254 8.850 19.720 33.166 1.00 0.00 H -ATOM 762 H2 TIP3A 254 7.395 20.136 33.220 1.00 0.00 H -ATOM 763 O1 TIP3A 255 4.521 31.116 5.527 1.00 0.00 O -ATOM 764 H1 TIP3A 255 4.447 31.914 6.048 1.00 0.00 H -ATOM 765 H2 TIP3A 255 4.823 31.417 4.669 1.00 0.00 H -ATOM 766 O1 TIP3A 256 19.776 30.867 5.602 1.00 0.00 O -ATOM 767 H1 TIP3A 256 18.902 31.247 5.682 1.00 0.00 H -ATOM 768 H2 TIP3A 256 20.371 31.585 5.822 1.00 0.00 H -ATOM 769 O1 TIP3A 257 20.022 38.400 24.353 1.00 0.00 O -ATOM 770 H1 TIP3A 257 19.849 37.475 24.183 1.00 0.00 H -ATOM 771 H2 TIP3A 257 20.727 38.397 25.001 1.00 0.00 H -ATOM 772 O1 TIP3A 258 20.461 25.890 38.112 1.00 0.00 O -ATOM 773 H1 TIP3A 258 19.688 26.376 38.398 1.00 0.00 H -ATOM 774 H2 TIP3A 258 20.298 24.990 38.397 1.00 0.00 H -ATOM 775 O1 TIP3A 259 0.405 15.294 8.007 1.00 0.00 O -ATOM 776 H1 TIP3A 259 1.284 15.333 8.382 1.00 0.00 H -ATOM 777 H2 TIP3A 259 0.000 14.532 8.422 1.00 0.00 H -ATOM 778 O1 TIP3A 260 4.747 15.224 24.181 1.00 0.00 O -ATOM 779 H1 TIP3A 260 5.651 14.911 24.176 1.00 0.00 H -ATOM 780 H2 TIP3A 260 4.329 14.737 24.892 1.00 0.00 H -ATOM 781 O1 TIP3A 261 1.515 2.990 22.927 1.00 0.00 O -ATOM 782 H1 TIP3A 261 2.265 3.581 22.871 1.00 0.00 H -ATOM 783 H2 TIP3A 261 0.768 3.522 22.654 1.00 0.00 H -ATOM 784 O1 TIP3A 262 28.659 0.388 2.455 1.00 0.00 O -ATOM 785 H1 TIP3A 262 28.817 0.018 1.587 1.00 0.00 H -ATOM 786 H2 TIP3A 262 27.765 0.120 2.671 1.00 0.00 H -ATOM 787 O1 TIP3A 263 20.756 38.400 27.286 1.00 0.00 O -ATOM 788 H1 TIP3A 263 21.507 37.808 27.292 1.00 0.00 H -ATOM 789 H2 TIP3A 263 20.004 37.831 27.117 1.00 0.00 H -ATOM 790 O1 TIP3A 264 15.440 2.275 5.757 1.00 0.00 O -ATOM 791 H1 TIP3A 264 15.914 2.173 4.932 1.00 0.00 H -ATOM 792 H2 TIP3A 264 15.286 3.218 5.830 1.00 0.00 H -ATOM 793 O1 TIP3A 265 18.708 15.813 32.860 1.00 0.00 O -ATOM 794 H1 TIP3A 265 18.500 15.622 33.773 1.00 0.00 H -ATOM 795 H2 TIP3A 265 18.241 16.627 32.672 1.00 0.00 H -ATOM 796 O1 TIP3A 266 11.743 34.346 18.638 1.00 0.00 O -ATOM 797 H1 TIP3A 266 11.775 34.169 17.699 1.00 0.00 H -ATOM 798 H2 TIP3A 266 10.845 34.640 18.797 1.00 0.00 H -ATOM 799 O1 TIP3A 267 29.876 5.142 16.288 1.00 0.00 O -ATOM 800 H1 TIP3A 267 28.937 4.979 16.373 1.00 0.00 H -ATOM 801 H2 TIP3A 267 29.987 5.440 15.385 1.00 0.00 H -ATOM 802 O1 TIP3A 268 26.324 6.418 24.294 1.00 0.00 O -ATOM 803 H1 TIP3A 268 26.561 5.494 24.227 1.00 0.00 H -ATOM 804 H2 TIP3A 268 25.490 6.486 23.829 1.00 0.00 H -ATOM 805 O1 TIP3A 269 9.393 22.265 14.990 1.00 0.00 O -ATOM 806 H1 TIP3A 269 10.021 21.553 15.109 1.00 0.00 H -ATOM 807 H2 TIP3A 269 9.615 22.897 15.675 1.00 0.00 H -ATOM 808 O1 TIP3A 270 6.131 21.653 29.422 1.00 0.00 O -ATOM 809 H1 TIP3A 270 5.497 22.261 29.801 1.00 0.00 H -ATOM 810 H2 TIP3A 270 6.766 21.502 30.123 1.00 0.00 H -ATOM 811 O1 TIP3A 271 1.413 29.479 0.389 1.00 0.00 O -ATOM 812 H1 TIP3A 271 0.623 29.205 0.853 1.00 0.00 H -ATOM 813 H2 TIP3A 271 2.128 29.042 0.853 1.00 0.00 H -ATOM 814 O1 TIP3A 272 37.734 5.736 3.188 1.00 0.00 O -ATOM 815 H1 TIP3A 272 38.399 5.067 3.346 1.00 0.00 H -ATOM 816 H2 TIP3A 272 37.860 5.990 2.273 1.00 0.00 H -ATOM 817 O1 TIP3A 273 11.770 13.981 27.198 1.00 0.00 O -ATOM 818 H1 TIP3A 273 11.814 13.553 26.343 1.00 0.00 H -ATOM 819 H2 TIP3A 273 12.544 13.664 27.665 1.00 0.00 H -ATOM 820 O1 TIP3A 274 37.563 0.795 4.018 1.00 0.00 O -ATOM 821 H1 TIP3A 274 37.233 0.734 4.914 1.00 0.00 H -ATOM 822 H2 TIP3A 274 38.363 1.316 4.092 1.00 0.00 H -ATOM 823 O1 TIP3A 275 11.082 2.052 19.013 1.00 0.00 O -ATOM 824 H1 TIP3A 275 11.536 2.743 19.495 1.00 0.00 H -ATOM 825 H2 TIP3A 275 11.784 1.497 18.672 1.00 0.00 H -ATOM 826 O1 TIP3A 276 8.970 23.944 32.262 1.00 0.00 O -ATOM 827 H1 TIP3A 276 9.868 24.217 32.445 1.00 0.00 H -ATOM 828 H2 TIP3A 276 8.428 24.534 32.787 1.00 0.00 H -ATOM 829 O1 TIP3A 277 35.235 23.594 4.030 1.00 0.00 O -ATOM 830 H1 TIP3A 277 35.777 24.351 3.813 1.00 0.00 H -ATOM 831 H2 TIP3A 277 35.271 23.040 3.250 1.00 0.00 H -ATOM 832 O1 TIP3A 278 29.954 2.248 11.330 1.00 0.00 O -ATOM 833 H1 TIP3A 278 30.753 2.406 11.833 1.00 0.00 H -ATOM 834 H2 TIP3A 278 29.272 2.135 11.992 1.00 0.00 H -ATOM 835 O1 TIP3A 279 1.538 12.715 27.231 1.00 0.00 O -ATOM 836 H1 TIP3A 279 1.874 12.816 28.122 1.00 0.00 H -ATOM 837 H2 TIP3A 279 2.294 12.420 26.722 1.00 0.00 H -ATOM 838 O1 TIP3A 280 38.393 23.577 12.683 1.00 0.00 O -ATOM 839 H1 TIP3A 280 37.925 23.080 12.013 1.00 0.00 H -ATOM 840 H2 TIP3A 280 37.785 24.271 12.937 1.00 0.00 H -ATOM 841 O1 TIP3A 281 12.505 24.786 33.267 1.00 0.00 O -ATOM 842 H1 TIP3A 281 12.182 25.488 33.831 1.00 0.00 H -ATOM 843 H2 TIP3A 281 13.241 24.409 33.750 1.00 0.00 H -ATOM 844 O1 TIP3A 282 2.380 28.040 36.546 1.00 0.00 O -ATOM 845 H1 TIP3A 282 2.845 27.205 36.585 1.00 0.00 H -ATOM 846 H2 TIP3A 282 2.127 28.131 35.627 1.00 0.00 H -ATOM 847 O1 TIP3A 283 37.117 18.956 2.493 1.00 0.00 O -ATOM 848 H1 TIP3A 283 38.073 18.971 2.510 1.00 0.00 H -ATOM 849 H2 TIP3A 283 36.897 18.592 1.635 1.00 0.00 H -ATOM 850 O1 TIP3A 284 21.714 24.111 36.977 1.00 0.00 O -ATOM 851 H1 TIP3A 284 21.664 23.314 37.504 1.00 0.00 H -ATOM 852 H2 TIP3A 284 21.125 23.948 36.239 1.00 0.00 H -ATOM 853 O1 TIP3A 285 37.643 11.058 6.364 1.00 0.00 O -ATOM 854 H1 TIP3A 285 37.428 11.975 6.527 1.00 0.00 H -ATOM 855 H2 TIP3A 285 38.399 11.089 5.777 1.00 0.00 H -ATOM 856 O1 TIP3A 286 38.399 11.677 20.598 1.00 0.00 O -ATOM 857 H1 TIP3A 286 37.838 11.444 19.860 1.00 0.00 H -ATOM 858 H2 TIP3A 286 38.318 10.939 21.204 1.00 0.00 H -ATOM 859 O1 TIP3A 287 38.263 22.741 26.827 1.00 0.00 O -ATOM 860 H1 TIP3A 287 38.337 21.789 26.756 1.00 0.00 H -ATOM 861 H2 TIP3A 287 38.404 23.059 25.934 1.00 0.00 H -ATOM 862 O1 TIP3A 288 4.326 12.188 16.335 1.00 0.00 O -ATOM 863 H1 TIP3A 288 3.595 12.736 16.053 1.00 0.00 H -ATOM 864 H2 TIP3A 288 3.943 11.585 16.972 1.00 0.00 H -ATOM 865 O1 TIP3A 289 33.432 21.193 24.341 1.00 0.00 O -ATOM 866 H1 TIP3A 289 34.290 20.865 24.608 1.00 0.00 H -ATOM 867 H2 TIP3A 289 33.433 22.112 24.612 1.00 0.00 H -ATOM 868 O1 TIP3A 290 7.849 13.694 5.426 1.00 0.00 O -ATOM 869 H1 TIP3A 290 8.541 13.496 4.797 1.00 0.00 H -ATOM 870 H2 TIP3A 290 7.859 12.954 6.035 1.00 0.00 H -ATOM 871 O1 TIP3A 291 3.701 25.044 29.033 1.00 0.00 O -ATOM 872 H1 TIP3A 291 3.727 24.121 29.284 1.00 0.00 H -ATOM 873 H2 TIP3A 291 3.189 25.058 28.224 1.00 0.00 H -ATOM 874 O1 TIP3A 292 10.418 9.725 27.188 1.00 0.00 O -ATOM 875 H1 TIP3A 292 10.009 8.974 26.759 1.00 0.00 H -ATOM 876 H2 TIP3A 292 11.160 9.949 26.625 1.00 0.00 H -ATOM 877 O1 TIP3A 293 30.890 7.651 33.219 1.00 0.00 O -ATOM 878 H1 TIP3A 293 30.972 8.513 33.628 1.00 0.00 H -ATOM 879 H2 TIP3A 293 31.793 7.349 33.113 1.00 0.00 H -ATOM 880 O1 TIP3A 294 25.730 0.544 19.573 1.00 0.00 O -ATOM 881 H1 TIP3A 294 26.001 1.460 19.623 1.00 0.00 H -ATOM 882 H2 TIP3A 294 26.535 0.066 19.374 1.00 0.00 H -ATOM 883 O1 TIP3A 295 12.705 21.719 5.668 1.00 0.00 O -ATOM 884 H1 TIP3A 295 13.555 22.058 5.389 1.00 0.00 H -ATOM 885 H2 TIP3A 295 12.362 22.389 6.260 1.00 0.00 H -ATOM 886 O1 TIP3A 296 20.070 33.861 30.693 1.00 0.00 O -ATOM 887 H1 TIP3A 296 19.146 34.002 30.488 1.00 0.00 H -ATOM 888 H2 TIP3A 296 20.543 34.312 29.993 1.00 0.00 H -ATOM 889 O1 TIP3A 297 16.364 18.644 16.080 1.00 0.00 O -ATOM 890 H1 TIP3A 297 17.235 18.451 15.735 1.00 0.00 H -ATOM 891 H2 TIP3A 297 16.487 18.697 17.028 1.00 0.00 H -ATOM 892 O1 TIP3A 298 14.531 36.160 33.323 1.00 0.00 O -ATOM 893 H1 TIP3A 298 13.900 36.509 33.952 1.00 0.00 H -ATOM 894 H2 TIP3A 298 15.274 35.881 33.859 1.00 0.00 H -ATOM 895 O1 TIP3A 299 20.378 34.857 17.988 1.00 0.00 O -ATOM 896 H1 TIP3A 299 19.799 34.099 17.918 1.00 0.00 H -ATOM 897 H2 TIP3A 299 19.951 35.534 17.462 1.00 0.00 H -ATOM 898 O1 TIP3A 300 32.822 3.798 3.020 1.00 0.00 O -ATOM 899 H1 TIP3A 300 31.930 4.137 3.077 1.00 0.00 H -ATOM 900 H2 TIP3A 300 33.362 4.570 2.847 1.00 0.00 H -ATOM 901 O1 TIP3A 301 9.641 11.878 23.167 1.00 0.00 O -ATOM 902 H1 TIP3A 301 10.158 11.577 22.421 1.00 0.00 H -ATOM 903 H2 TIP3A 301 9.855 12.808 23.249 1.00 0.00 H -ATOM 904 O1 TIP3A 302 17.198 14.843 21.116 1.00 0.00 O -ATOM 905 H1 TIP3A 302 16.255 14.940 20.987 1.00 0.00 H -ATOM 906 H2 TIP3A 302 17.475 14.246 20.420 1.00 0.00 H -ATOM 907 O1 TIP3A 303 8.889 23.900 5.178 1.00 0.00 O -ATOM 908 H1 TIP3A 303 8.071 24.390 5.248 1.00 0.00 H -ATOM 909 H2 TIP3A 303 8.682 23.035 5.533 1.00 0.00 H -ATOM 910 O1 TIP3A 304 4.679 7.375 34.267 1.00 0.00 O -ATOM 911 H1 TIP3A 304 4.958 7.530 33.365 1.00 0.00 H -ATOM 912 H2 TIP3A 304 4.544 6.429 34.317 1.00 0.00 H -ATOM 913 O1 TIP3A 305 4.078 21.813 23.193 1.00 0.00 O -ATOM 914 H1 TIP3A 305 3.690 22.199 23.978 1.00 0.00 H -ATOM 915 H2 TIP3A 305 3.469 22.036 22.489 1.00 0.00 H -ATOM 916 O1 TIP3A 306 9.013 26.517 31.547 1.00 0.00 O -ATOM 917 H1 TIP3A 306 9.931 26.269 31.659 1.00 0.00 H -ATOM 918 H2 TIP3A 306 8.962 27.409 31.891 1.00 0.00 H -ATOM 919 O1 TIP3A 307 21.859 14.711 14.412 1.00 0.00 O -ATOM 920 H1 TIP3A 307 22.780 14.961 14.465 1.00 0.00 H -ATOM 921 H2 TIP3A 307 21.387 15.543 14.357 1.00 0.00 H -ATOM 922 O1 TIP3A 308 36.501 16.870 35.382 1.00 0.00 O -ATOM 923 H1 TIP3A 308 36.608 17.632 34.813 1.00 0.00 H -ATOM 924 H2 TIP3A 308 35.817 17.127 36.002 1.00 0.00 H -ATOM 925 O1 TIP3A 309 3.463 15.213 8.093 1.00 0.00 O -ATOM 926 H1 TIP3A 309 4.397 15.396 8.191 1.00 0.00 H -ATOM 927 H2 TIP3A 309 3.407 14.659 7.314 1.00 0.00 H -ATOM 928 O1 TIP3A 310 34.647 3.548 4.523 1.00 0.00 O -ATOM 929 H1 TIP3A 310 35.533 3.879 4.375 1.00 0.00 H -ATOM 930 H2 TIP3A 310 34.564 2.806 3.924 1.00 0.00 H -ATOM 931 O1 TIP3A 311 11.448 30.820 16.514 1.00 0.00 O -ATOM 932 H1 TIP3A 311 11.049 30.201 17.124 1.00 0.00 H -ATOM 933 H2 TIP3A 311 10.821 31.542 16.459 1.00 0.00 H -ATOM 934 O1 TIP3A 312 12.565 37.919 13.869 1.00 0.00 O -ATOM 935 H1 TIP3A 312 11.611 37.881 13.818 1.00 0.00 H -ATOM 936 H2 TIP3A 312 12.838 38.254 13.014 1.00 0.00 H -ATOM 937 O1 TIP3A 313 0.916 37.321 21.342 1.00 0.00 O -ATOM 938 H1 TIP3A 313 0.446 36.827 20.671 1.00 0.00 H -ATOM 939 H2 TIP3A 313 1.613 37.772 20.863 1.00 0.00 H -ATOM 940 O1 TIP3A 314 26.829 33.632 18.984 1.00 0.00 O -ATOM 941 H1 TIP3A 314 26.040 33.205 19.316 1.00 0.00 H -ATOM 942 H2 TIP3A 314 26.657 33.764 18.051 1.00 0.00 H -ATOM 943 O1 TIP3A 315 24.702 7.134 5.588 1.00 0.00 O -ATOM 944 H1 TIP3A 315 24.816 6.635 6.397 1.00 0.00 H -ATOM 945 H2 TIP3A 315 25.207 7.936 5.728 1.00 0.00 H -ATOM 946 O1 TIP3A 316 32.275 19.697 25.463 1.00 0.00 O -ATOM 947 H1 TIP3A 316 31.522 20.266 25.618 1.00 0.00 H -ATOM 948 H2 TIP3A 316 32.248 19.062 26.180 1.00 0.00 H -ATOM 949 O1 TIP3A 317 7.817 20.233 27.576 1.00 0.00 O -ATOM 950 H1 TIP3A 317 8.506 20.846 27.831 1.00 0.00 H -ATOM 951 H2 TIP3A 317 7.299 20.108 28.372 1.00 0.00 H -ATOM 952 O1 TIP3A 318 6.651 28.832 15.133 1.00 0.00 O -ATOM 953 H1 TIP3A 318 7.285 28.137 14.960 1.00 0.00 H -ATOM 954 H2 TIP3A 318 7.165 29.528 15.546 1.00 0.00 H -ATOM 955 O1 TIP3A 319 36.438 1.647 11.581 1.00 0.00 O -ATOM 956 H1 TIP3A 319 35.657 2.187 11.469 1.00 0.00 H -ATOM 957 H2 TIP3A 319 36.246 1.101 12.344 1.00 0.00 H -ATOM 958 O1 TIP3A 320 36.375 34.494 3.134 1.00 0.00 O -ATOM 959 H1 TIP3A 320 35.794 33.852 3.539 1.00 0.00 H -ATOM 960 H2 TIP3A 320 36.047 35.341 3.439 1.00 0.00 H -ATOM 961 O1 TIP3A 321 19.871 18.902 23.367 1.00 0.00 O -ATOM 962 H1 TIP3A 321 19.605 18.372 22.616 1.00 0.00 H -ATOM 963 H2 TIP3A 321 20.779 18.645 23.533 1.00 0.00 H -ATOM 964 O1 TIP3A 322 16.915 29.682 7.922 1.00 0.00 O -ATOM 965 H1 TIP3A 322 16.647 30.219 8.667 1.00 0.00 H -ATOM 966 H2 TIP3A 322 17.869 29.761 7.899 1.00 0.00 H -ATOM 967 O1 TIP3A 323 23.129 34.823 29.513 1.00 0.00 O -ATOM 968 H1 TIP3A 323 22.429 35.093 28.920 1.00 0.00 H -ATOM 969 H2 TIP3A 323 22.735 34.139 30.055 1.00 0.00 H -ATOM 970 O1 TIP3A 324 3.527 16.862 3.990 1.00 0.00 O -ATOM 971 H1 TIP3A 324 3.315 16.219 3.314 1.00 0.00 H -ATOM 972 H2 TIP3A 324 3.136 16.508 4.789 1.00 0.00 H -ATOM 973 O1 TIP3A 325 3.442 9.155 37.416 1.00 0.00 O -ATOM 974 H1 TIP3A 325 3.042 8.541 38.030 1.00 0.00 H -ATOM 975 H2 TIP3A 325 2.703 9.641 37.047 1.00 0.00 H -ATOM 976 O1 TIP3A 326 30.207 29.049 16.284 1.00 0.00 O -ATOM 977 H1 TIP3A 326 29.464 28.473 16.457 1.00 0.00 H -ATOM 978 H2 TIP3A 326 30.185 29.690 16.995 1.00 0.00 H -ATOM 979 O1 TIP3A 327 17.553 17.021 27.311 1.00 0.00 O -ATOM 980 H1 TIP3A 327 16.978 17.248 26.581 1.00 0.00 H -ATOM 981 H2 TIP3A 327 17.835 17.865 27.665 1.00 0.00 H -ATOM 982 O1 TIP3A 328 11.742 34.541 10.754 1.00 0.00 O -ATOM 983 H1 TIP3A 328 11.048 34.202 11.319 1.00 0.00 H -ATOM 984 H2 TIP3A 328 12.554 34.258 11.175 1.00 0.00 H -ATOM 985 O1 TIP3A 329 23.575 13.505 35.089 1.00 0.00 O -ATOM 986 H1 TIP3A 329 23.590 14.437 34.873 1.00 0.00 H -ATOM 987 H2 TIP3A 329 23.915 13.071 34.307 1.00 0.00 H -ATOM 988 O1 TIP3A 330 6.159 20.197 11.648 1.00 0.00 O -ATOM 989 H1 TIP3A 330 6.530 21.022 11.337 1.00 0.00 H -ATOM 990 H2 TIP3A 330 5.217 20.360 11.697 1.00 0.00 H -ATOM 991 O1 TIP3A 331 18.282 34.938 36.122 1.00 0.00 O -ATOM 992 H1 TIP3A 331 18.138 34.071 36.499 1.00 0.00 H -ATOM 993 H2 TIP3A 331 19.223 35.088 36.217 1.00 0.00 H -ATOM 994 O1 TIP3A 332 38.113 10.290 18.009 1.00 0.00 O -ATOM 995 H1 TIP3A 332 38.162 9.508 18.558 1.00 0.00 H -ATOM 996 H2 TIP3A 332 38.399 9.995 17.144 1.00 0.00 H -ATOM 997 O1 TIP3A 333 16.321 7.668 5.103 1.00 0.00 O -ATOM 998 H1 TIP3A 333 16.817 6.850 5.125 1.00 0.00 H -ATOM 999 H2 TIP3A 333 15.504 7.466 5.561 1.00 0.00 H -ATOM 1000 O1 TIP3A 334 9.634 10.213 33.567 1.00 0.00 O -ATOM 1001 H1 TIP3A 334 10.143 10.207 32.757 1.00 0.00 H -ATOM 1002 H2 TIP3A 334 10.141 9.672 34.173 1.00 0.00 H -ATOM 1003 O1 TIP3A 335 16.922 24.269 35.808 1.00 0.00 O -ATOM 1004 H1 TIP3A 335 16.207 24.714 36.261 1.00 0.00 H -ATOM 1005 H2 TIP3A 335 16.790 23.341 36.003 1.00 0.00 H -ATOM 1006 O1 TIP3A 336 15.248 28.924 16.218 1.00 0.00 O -ATOM 1007 H1 TIP3A 336 15.461 28.002 16.077 1.00 0.00 H -ATOM 1008 H2 TIP3A 336 15.808 29.191 16.948 1.00 0.00 H -ATOM 1009 O1 TIP3A 337 28.350 38.226 24.824 1.00 0.00 O -ATOM 1010 H1 TIP3A 337 27.435 38.401 24.606 1.00 0.00 H -ATOM 1011 H2 TIP3A 337 28.323 37.424 25.347 1.00 0.00 H -ATOM 1012 O1 TIP3A 338 0.202 26.123 32.010 1.00 0.00 O -ATOM 1013 H1 TIP3A 338 1.115 26.158 31.728 1.00 0.00 H -ATOM 1014 H2 TIP3A 338 0.000 25.188 32.052 1.00 0.00 H -ATOM 1015 O1 TIP3A 339 36.760 32.743 13.640 1.00 0.00 O -ATOM 1016 H1 TIP3A 339 37.569 33.093 14.011 1.00 0.00 H -ATOM 1017 H2 TIP3A 339 36.982 31.847 13.383 1.00 0.00 H -ATOM 1018 O1 TIP3A 340 16.795 13.729 27.488 1.00 0.00 O -ATOM 1019 H1 TIP3A 340 17.437 13.093 27.801 1.00 0.00 H -ATOM 1020 H2 TIP3A 340 16.412 13.322 26.711 1.00 0.00 H -ATOM 1021 O1 TIP3A 341 7.240 31.320 4.222 1.00 0.00 O -ATOM 1022 H1 TIP3A 341 7.869 30.599 4.200 1.00 0.00 H -ATOM 1023 H2 TIP3A 341 7.564 31.901 4.910 1.00 0.00 H -ATOM 1024 O1 TIP3A 342 36.288 16.478 13.116 1.00 0.00 O -ATOM 1025 H1 TIP3A 342 35.369 16.281 13.296 1.00 0.00 H -ATOM 1026 H2 TIP3A 342 36.758 15.685 13.376 1.00 0.00 H -ATOM 1027 O1 TIP3A 343 10.225 5.393 34.828 1.00 0.00 O -ATOM 1028 H1 TIP3A 343 10.908 5.219 34.182 1.00 0.00 H -ATOM 1029 H2 TIP3A 343 9.939 4.526 35.115 1.00 0.00 H -ATOM 1030 O1 TIP3A 344 11.948 1.595 16.414 1.00 0.00 O -ATOM 1031 H1 TIP3A 344 12.426 1.483 15.592 1.00 0.00 H -ATOM 1032 H2 TIP3A 344 11.040 1.385 16.194 1.00 0.00 H -ATOM 1033 O1 TIP3A 345 14.172 27.047 36.579 1.00 0.00 O -ATOM 1034 H1 TIP3A 345 14.415 26.122 36.553 1.00 0.00 H -ATOM 1035 H2 TIP3A 345 14.727 27.421 37.264 1.00 0.00 H -ATOM 1036 O1 TIP3A 346 28.543 19.113 24.402 1.00 0.00 O -ATOM 1037 H1 TIP3A 346 29.296 18.657 24.027 1.00 0.00 H -ATOM 1038 H2 TIP3A 346 28.780 20.041 24.363 1.00 0.00 H -ATOM 1039 O1 TIP3A 347 37.082 32.491 37.516 1.00 0.00 O -ATOM 1040 H1 TIP3A 347 36.673 32.430 38.378 1.00 0.00 H -ATOM 1041 H2 TIP3A 347 36.564 33.148 37.050 1.00 0.00 H -ATOM 1042 O1 TIP3A 348 19.211 9.104 19.856 1.00 0.00 O -ATOM 1043 H1 TIP3A 348 19.453 9.633 19.097 1.00 0.00 H -ATOM 1044 H2 TIP3A 348 19.482 8.215 19.626 1.00 0.00 H -ATOM 1045 O1 TIP3A 349 30.057 37.790 16.482 1.00 0.00 O -ATOM 1046 H1 TIP3A 349 30.478 37.281 15.790 1.00 0.00 H -ATOM 1047 H2 TIP3A 349 29.478 38.395 16.017 1.00 0.00 H -ATOM 1048 O1 TIP3A 350 23.417 5.697 9.015 1.00 0.00 O -ATOM 1049 H1 TIP3A 350 24.120 6.323 9.183 1.00 0.00 H -ATOM 1050 H2 TIP3A 350 22.620 6.228 9.009 1.00 0.00 H -ATOM 1051 O1 TIP3A 351 21.859 14.636 22.016 1.00 0.00 O -ATOM 1052 H1 TIP3A 351 22.534 14.717 22.689 1.00 0.00 H -ATOM 1053 H2 TIP3A 351 21.315 15.417 22.127 1.00 0.00 H -ATOM 1054 O1 TIP3A 352 26.248 23.707 31.033 1.00 0.00 O -ATOM 1055 H1 TIP3A 352 25.877 22.916 31.423 1.00 0.00 H -ATOM 1056 H2 TIP3A 352 26.127 23.590 30.090 1.00 0.00 H -ATOM 1057 O1 TIP3A 353 9.245 2.673 25.949 1.00 0.00 O -ATOM 1058 H1 TIP3A 353 9.631 3.270 25.309 1.00 0.00 H -ATOM 1059 H2 TIP3A 353 8.604 3.207 26.419 1.00 0.00 H -ATOM 1060 O1 TIP3A 354 11.995 4.176 23.753 1.00 0.00 O -ATOM 1061 H1 TIP3A 354 12.502 3.373 23.867 1.00 0.00 H -ATOM 1062 H2 TIP3A 354 11.609 4.340 24.614 1.00 0.00 H -ATOM 1063 O1 TIP3A 355 33.204 7.999 18.613 1.00 0.00 O -ATOM 1064 H1 TIP3A 355 34.084 7.629 18.673 1.00 0.00 H -ATOM 1065 H2 TIP3A 355 33.133 8.574 19.376 1.00 0.00 H -ATOM 1066 O1 TIP3A 356 7.325 11.933 28.295 1.00 0.00 O -ATOM 1067 H1 TIP3A 356 6.449 12.266 28.488 1.00 0.00 H -ATOM 1068 H2 TIP3A 356 7.441 11.199 28.899 1.00 0.00 H -ATOM 1069 O1 TIP3A 357 31.019 20.575 7.334 1.00 0.00 O -ATOM 1070 H1 TIP3A 357 31.755 20.524 7.942 1.00 0.00 H -ATOM 1071 H2 TIP3A 357 31.310 21.183 6.654 1.00 0.00 H -ATOM 1072 O1 TIP3A 358 16.963 1.239 14.598 1.00 0.00 O -ATOM 1073 H1 TIP3A 358 17.812 1.637 14.413 1.00 0.00 H -ATOM 1074 H2 TIP3A 358 16.840 0.598 13.897 1.00 0.00 H -ATOM 1075 O1 TIP3A 359 16.086 5.305 11.716 1.00 0.00 O -ATOM 1076 H1 TIP3A 359 15.706 5.426 12.585 1.00 0.00 H -ATOM 1077 H2 TIP3A 359 16.637 4.526 11.801 1.00 0.00 H -ATOM 1078 O1 TIP3A 360 16.246 24.557 21.346 1.00 0.00 O -ATOM 1079 H1 TIP3A 360 16.842 23.809 21.372 1.00 0.00 H -ATOM 1080 H2 TIP3A 360 16.582 25.156 22.014 1.00 0.00 H -ATOM 1081 O1 TIP3A 361 6.738 10.997 11.272 1.00 0.00 O -ATOM 1082 H1 TIP3A 361 6.588 11.183 12.198 1.00 0.00 H -ATOM 1083 H2 TIP3A 361 7.153 11.790 10.931 1.00 0.00 H -ATOM 1084 O1 TIP3A 362 21.595 0.359 15.705 1.00 0.00 O -ATOM 1085 H1 TIP3A 362 20.713 0.005 15.598 1.00 0.00 H -ATOM 1086 H2 TIP3A 362 21.899 0.000 16.539 1.00 0.00 H -ATOM 1087 O1 TIP3A 363 13.440 9.749 27.033 1.00 0.00 O -ATOM 1088 H1 TIP3A 363 14.095 10.323 27.429 1.00 0.00 H -ATOM 1089 H2 TIP3A 363 12.950 9.396 27.776 1.00 0.00 H -ATOM 1090 O1 TIP3A 364 33.246 34.807 21.783 1.00 0.00 O -ATOM 1091 H1 TIP3A 364 32.386 34.388 21.782 1.00 0.00 H -ATOM 1092 H2 TIP3A 364 33.216 35.417 21.045 1.00 0.00 H -ATOM 1093 O1 TIP3A 365 37.227 23.180 28.717 1.00 0.00 O -ATOM 1094 H1 TIP3A 365 37.294 23.726 29.499 1.00 0.00 H -ATOM 1095 H2 TIP3A 365 36.312 23.261 28.445 1.00 0.00 H -ATOM 1096 O1 TIP3A 366 12.484 33.996 33.766 1.00 0.00 O -ATOM 1097 H1 TIP3A 366 12.890 34.688 33.246 1.00 0.00 H -ATOM 1098 H2 TIP3A 366 12.767 33.183 33.347 1.00 0.00 H -ATOM 1099 O1 TIP3A 367 33.232 36.058 11.347 1.00 0.00 O -ATOM 1100 H1 TIP3A 367 32.952 36.777 11.913 1.00 0.00 H -ATOM 1101 H2 TIP3A 367 33.488 36.483 10.528 1.00 0.00 H -ATOM 1102 O1 TIP3A 368 0.502 25.413 29.423 1.00 0.00 O -ATOM 1103 H1 TIP3A 368 0.001 26.151 29.769 1.00 0.00 H -ATOM 1104 H2 TIP3A 368 1.350 25.790 29.185 1.00 0.00 H -ATOM 1105 O1 TIP3A 369 20.536 4.358 8.788 1.00 0.00 O -ATOM 1106 H1 TIP3A 369 21.327 4.058 8.342 1.00 0.00 H -ATOM 1107 H2 TIP3A 369 19.917 3.633 8.694 1.00 0.00 H -ATOM 1108 O1 TIP3A 370 27.417 29.691 15.436 1.00 0.00 O -ATOM 1109 H1 TIP3A 370 27.460 28.748 15.592 1.00 0.00 H -ATOM 1110 H2 TIP3A 370 27.934 30.075 16.144 1.00 0.00 H -ATOM 1111 O1 TIP3A 371 20.064 1.578 10.676 1.00 0.00 O -ATOM 1112 H1 TIP3A 371 20.412 0.691 10.593 1.00 0.00 H -ATOM 1113 H2 TIP3A 371 19.296 1.589 10.103 1.00 0.00 H -ATOM 1114 O1 TIP3A 372 9.880 36.747 7.376 1.00 0.00 O -ATOM 1115 H1 TIP3A 372 9.337 37.163 8.044 1.00 0.00 H -ATOM 1116 H2 TIP3A 372 9.718 35.809 7.485 1.00 0.00 H -ATOM 1117 O1 TIP3A 373 16.656 31.913 5.646 1.00 0.00 O -ATOM 1118 H1 TIP3A 373 15.812 32.362 5.617 1.00 0.00 H -ATOM 1119 H2 TIP3A 373 16.432 30.983 5.700 1.00 0.00 H -ATOM 1120 O1 TIP3A 374 13.076 34.504 8.581 1.00 0.00 O -ATOM 1121 H1 TIP3A 374 12.880 35.398 8.859 1.00 0.00 H -ATOM 1122 H2 TIP3A 374 12.244 34.037 8.672 1.00 0.00 H -ATOM 1123 O1 TIP3A 375 37.706 3.755 7.360 1.00 0.00 O -ATOM 1124 H1 TIP3A 375 37.950 3.504 6.469 1.00 0.00 H -ATOM 1125 H2 TIP3A 375 38.045 4.645 7.460 1.00 0.00 H -ATOM 1126 O1 TIP3A 376 7.219 15.775 35.374 1.00 0.00 O -ATOM 1127 H1 TIP3A 376 6.996 15.327 36.189 1.00 0.00 H -ATOM 1128 H2 TIP3A 376 8.157 15.616 35.261 1.00 0.00 H -ATOM 1129 O1 TIP3A 377 32.726 6.101 13.693 1.00 0.00 O -ATOM 1130 H1 TIP3A 377 33.497 6.467 13.262 1.00 0.00 H -ATOM 1131 H2 TIP3A 377 32.711 6.518 14.555 1.00 0.00 H -ATOM 1132 O1 TIP3A 378 14.852 37.960 6.657 1.00 0.00 O -ATOM 1133 H1 TIP3A 378 15.412 38.305 5.963 1.00 0.00 H -ATOM 1134 H2 TIP3A 378 15.150 38.407 7.450 1.00 0.00 H -ATOM 1135 O1 TIP3A 379 28.591 33.298 27.151 1.00 0.00 O -ATOM 1136 H1 TIP3A 379 28.092 34.113 27.124 1.00 0.00 H -ATOM 1137 H2 TIP3A 379 28.022 32.683 27.615 1.00 0.00 H -ATOM 1138 O1 TIP3A 380 12.993 0.000 6.224 1.00 0.00 O -ATOM 1139 H1 TIP3A 380 12.848 0.791 5.706 1.00 0.00 H -ATOM 1140 H2 TIP3A 380 12.784 0.260 7.122 1.00 0.00 H -ATOM 1141 O1 TIP3A 381 9.086 3.780 19.633 1.00 0.00 O -ATOM 1142 H1 TIP3A 381 9.632 3.698 18.852 1.00 0.00 H -ATOM 1143 H2 TIP3A 381 9.587 4.349 20.218 1.00 0.00 H -ATOM 1144 O1 TIP3A 382 21.758 17.929 21.697 1.00 0.00 O -ATOM 1145 H1 TIP3A 382 21.512 18.811 21.421 1.00 0.00 H -ATOM 1146 H2 TIP3A 382 22.682 17.851 21.459 1.00 0.00 H -ATOM 1147 O1 TIP3A 383 14.792 7.021 2.842 1.00 0.00 O -ATOM 1148 H1 TIP3A 383 15.707 6.957 3.114 1.00 0.00 H -ATOM 1149 H2 TIP3A 383 14.322 7.276 3.637 1.00 0.00 H -ATOM 1150 O1 TIP3A 384 16.164 24.824 30.530 1.00 0.00 O -ATOM 1151 H1 TIP3A 384 15.650 25.573 30.232 1.00 0.00 H -ATOM 1152 H2 TIP3A 384 16.587 25.127 31.334 1.00 0.00 H -ATOM 1153 O1 TIP3A 385 15.052 27.077 2.249 1.00 0.00 O -ATOM 1154 H1 TIP3A 385 15.152 26.378 2.894 1.00 0.00 H -ATOM 1155 H2 TIP3A 385 15.942 27.399 2.103 1.00 0.00 H -ATOM 1156 O1 TIP3A 386 22.108 13.596 18.296 1.00 0.00 O -ATOM 1157 H1 TIP3A 386 22.512 14.393 17.954 1.00 0.00 H -ATOM 1158 H2 TIP3A 386 22.085 13.726 19.245 1.00 0.00 H -ATOM 1159 O1 TIP3A 387 13.167 3.026 36.261 1.00 0.00 O -ATOM 1160 H1 TIP3A 387 12.723 3.862 36.122 1.00 0.00 H -ATOM 1161 H2 TIP3A 387 12.586 2.539 36.846 1.00 0.00 H -ATOM 1162 O1 TIP3A 388 18.055 32.577 15.825 1.00 0.00 O -ATOM 1163 H1 TIP3A 388 17.495 33.297 16.113 1.00 0.00 H -ATOM 1164 H2 TIP3A 388 17.816 32.438 14.908 1.00 0.00 H -ATOM 1165 O1 TIP3A 389 13.654 2.999 7.289 1.00 0.00 O -ATOM 1166 H1 TIP3A 389 12.880 2.458 7.141 1.00 0.00 H -ATOM 1167 H2 TIP3A 389 14.308 2.392 7.639 1.00 0.00 H -ATOM 1168 O1 TIP3A 390 1.070 17.038 24.464 1.00 0.00 O -ATOM 1169 H1 TIP3A 390 1.758 16.869 25.107 1.00 0.00 H -ATOM 1170 H2 TIP3A 390 1.374 17.809 23.984 1.00 0.00 H -ATOM 1171 O1 TIP3A 391 14.443 18.359 33.402 1.00 0.00 O -ATOM 1172 H1 TIP3A 391 13.562 18.694 33.237 1.00 0.00 H -ATOM 1173 H2 TIP3A 391 14.429 18.092 34.322 1.00 0.00 H -ATOM 1174 O1 TIP3A 392 18.309 0.554 33.328 1.00 0.00 O -ATOM 1175 H1 TIP3A 392 19.135 0.958 33.064 1.00 0.00 H -ATOM 1176 H2 TIP3A 392 18.065 0.000 32.586 1.00 0.00 H -ATOM 1177 O1 TIP3A 393 37.828 25.066 7.021 1.00 0.00 O -ATOM 1178 H1 TIP3A 393 38.400 24.325 7.220 1.00 0.00 H -ATOM 1179 H2 TIP3A 393 37.345 24.794 6.241 1.00 0.00 H -ATOM 1180 O1 TIP3A 394 11.900 2.970 5.239 1.00 0.00 O -ATOM 1181 H1 TIP3A 394 12.418 2.872 4.441 1.00 0.00 H -ATOM 1182 H2 TIP3A 394 11.368 3.751 5.086 1.00 0.00 H -ATOM 1183 O1 TIP3A 395 25.774 7.748 29.054 1.00 0.00 O -ATOM 1184 H1 TIP3A 395 25.141 7.492 28.384 1.00 0.00 H -ATOM 1185 H2 TIP3A 395 25.668 8.696 29.136 1.00 0.00 H -ATOM 1186 O1 TIP3A 396 12.642 9.899 24.170 1.00 0.00 O -ATOM 1187 H1 TIP3A 396 12.593 9.155 23.570 1.00 0.00 H -ATOM 1188 H2 TIP3A 396 13.263 9.623 24.845 1.00 0.00 H -ATOM 1189 O1 TIP3A 397 7.829 35.882 32.335 1.00 0.00 O -ATOM 1190 H1 TIP3A 397 7.584 36.784 32.539 1.00 0.00 H -ATOM 1191 H2 TIP3A 397 8.007 35.483 33.187 1.00 0.00 H -ATOM 1192 O1 TIP3A 398 13.568 9.766 34.407 1.00 0.00 O -ATOM 1193 H1 TIP3A 398 14.117 9.989 35.157 1.00 0.00 H -ATOM 1194 H2 TIP3A 398 14.186 9.634 33.687 1.00 0.00 H -ATOM 1195 O1 TIP3A 399 26.788 10.862 24.669 1.00 0.00 O -ATOM 1196 H1 TIP3A 399 27.173 10.337 23.969 1.00 0.00 H -ATOM 1197 H2 TIP3A 399 26.503 11.668 24.237 1.00 0.00 H -ATOM 1198 O1 TIP3A 400 28.733 26.554 31.001 1.00 0.00 O -ATOM 1199 H1 TIP3A 400 28.337 25.767 31.373 1.00 0.00 H -ATOM 1200 H2 TIP3A 400 29.496 26.724 31.554 1.00 0.00 H -ATOM 1201 O1 TIP3A 401 23.983 36.735 10.123 1.00 0.00 O -ATOM 1202 H1 TIP3A 401 23.800 35.809 9.967 1.00 0.00 H -ATOM 1203 H2 TIP3A 401 23.130 37.116 10.332 1.00 0.00 H -ATOM 1204 O1 TIP3A 402 10.017 0.515 5.149 1.00 0.00 O -ATOM 1205 H1 TIP3A 402 10.379 1.383 5.325 1.00 0.00 H -ATOM 1206 H2 TIP3A 402 10.764 0.001 4.841 1.00 0.00 H -ATOM 1207 O1 TIP3A 403 2.763 9.751 8.986 1.00 0.00 O -ATOM 1208 H1 TIP3A 403 2.178 10.412 9.357 1.00 0.00 H -ATOM 1209 H2 TIP3A 403 2.822 9.077 9.663 1.00 0.00 H -ATOM 1210 O1 TIP3A 404 7.008 7.698 37.734 1.00 0.00 O -ATOM 1211 H1 TIP3A 404 6.874 7.024 38.399 1.00 0.00 H -ATOM 1212 H2 TIP3A 404 6.287 7.574 37.117 1.00 0.00 H -ATOM 1213 O1 TIP3A 405 14.357 19.557 6.246 1.00 0.00 O -ATOM 1214 H1 TIP3A 405 13.412 19.700 6.255 1.00 0.00 H -ATOM 1215 H2 TIP3A 405 14.690 20.186 5.605 1.00 0.00 H -ATOM 1216 O1 TIP3A 406 14.615 0.568 14.841 1.00 0.00 O -ATOM 1217 H1 TIP3A 406 13.845 0.001 14.812 1.00 0.00 H -ATOM 1218 H2 TIP3A 406 15.257 0.075 15.353 1.00 0.00 H -ATOM 1219 O1 TIP3A 407 32.885 33.081 16.968 1.00 0.00 O -ATOM 1220 H1 TIP3A 407 31.995 33.293 17.249 1.00 0.00 H -ATOM 1221 H2 TIP3A 407 33.402 33.101 17.774 1.00 0.00 H -ATOM 1222 O1 TIP3A 408 6.891 35.942 15.509 1.00 0.00 O -ATOM 1223 H1 TIP3A 408 6.064 36.100 15.055 1.00 0.00 H -ATOM 1224 H2 TIP3A 408 6.634 35.718 16.404 1.00 0.00 H -ATOM 1225 O1 TIP3A 409 38.332 31.788 24.958 1.00 0.00 O -ATOM 1226 H1 TIP3A 409 37.471 31.953 24.575 1.00 0.00 H -ATOM 1227 H2 TIP3A 409 38.300 30.871 25.234 1.00 0.00 H -ATOM 1228 O1 TIP3A 410 4.956 5.003 15.487 1.00 0.00 O -ATOM 1229 H1 TIP3A 410 5.194 5.225 14.588 1.00 0.00 H -ATOM 1230 H2 TIP3A 410 4.005 5.110 15.517 1.00 0.00 H -ATOM 1231 O1 TIP3A 411 6.176 1.129 27.110 1.00 0.00 O -ATOM 1232 H1 TIP3A 411 6.359 1.888 27.663 1.00 0.00 H -ATOM 1233 H2 TIP3A 411 6.127 0.393 27.721 1.00 0.00 H -ATOM 1234 O1 TIP3A 412 23.678 5.299 28.659 1.00 0.00 O -ATOM 1235 H1 TIP3A 412 23.212 6.133 28.692 1.00 0.00 H -ATOM 1236 H2 TIP3A 412 24.398 5.449 28.045 1.00 0.00 H -ATOM 1237 O1 TIP3A 413 23.242 34.881 18.926 1.00 0.00 O -ATOM 1238 H1 TIP3A 413 23.716 34.054 18.841 1.00 0.00 H -ATOM 1239 H2 TIP3A 413 22.973 34.910 19.845 1.00 0.00 H -ATOM 1240 O1 TIP3A 414 35.025 18.949 28.332 1.00 0.00 O -ATOM 1241 H1 TIP3A 414 34.724 19.539 29.023 1.00 0.00 H -ATOM 1242 H2 TIP3A 414 34.224 18.554 27.987 1.00 0.00 H -ATOM 1243 O1 TIP3A 415 18.469 23.765 25.099 1.00 0.00 O -ATOM 1244 H1 TIP3A 415 17.535 23.931 24.972 1.00 0.00 H -ATOM 1245 H2 TIP3A 415 18.512 23.226 25.889 1.00 0.00 H -ATOM 1246 O1 TIP3A 416 24.243 32.615 4.813 1.00 0.00 O -ATOM 1247 H1 TIP3A 416 24.399 31.958 5.492 1.00 0.00 H -ATOM 1248 H2 TIP3A 416 24.742 32.302 4.058 1.00 0.00 H -ATOM 1249 O1 TIP3A 417 35.425 14.824 4.970 1.00 0.00 O -ATOM 1250 H1 TIP3A 417 35.846 14.096 5.427 1.00 0.00 H -ATOM 1251 H2 TIP3A 417 35.581 14.647 4.042 1.00 0.00 H -ATOM 1252 O1 TIP3A 418 18.158 22.997 31.556 1.00 0.00 O -ATOM 1253 H1 TIP3A 418 17.210 22.897 31.480 1.00 0.00 H -ATOM 1254 H2 TIP3A 418 18.380 22.567 32.383 1.00 0.00 H -ATOM 1255 O1 TIP3A 419 21.976 24.616 33.649 1.00 0.00 O -ATOM 1256 H1 TIP3A 419 21.462 25.402 33.833 1.00 0.00 H -ATOM 1257 H2 TIP3A 419 22.432 24.815 32.830 1.00 0.00 H -ATOM 1258 O1 TIP3A 420 37.372 27.848 10.788 1.00 0.00 O -ATOM 1259 H1 TIP3A 420 37.345 28.685 10.327 1.00 0.00 H -ATOM 1260 H2 TIP3A 420 36.568 27.401 10.522 1.00 0.00 H -ATOM 1261 O1 TIP3A 421 4.067 21.639 5.722 1.00 0.00 O -ATOM 1262 H1 TIP3A 421 3.581 21.703 6.543 1.00 0.00 H -ATOM 1263 H2 TIP3A 421 4.432 22.514 5.590 1.00 0.00 H -ATOM 1264 O1 TIP3A 422 24.376 36.001 34.988 1.00 0.00 O -ATOM 1265 H1 TIP3A 422 23.760 36.664 35.298 1.00 0.00 H -ATOM 1266 H2 TIP3A 422 24.854 36.431 34.278 1.00 0.00 H -ATOM 1267 O1 TIP3A 423 24.391 25.933 17.059 1.00 0.00 O -ATOM 1268 H1 TIP3A 423 23.528 26.219 16.761 1.00 0.00 H -ATOM 1269 H2 TIP3A 423 24.211 25.189 17.634 1.00 0.00 H -ATOM 1270 O1 TIP3A 424 15.882 22.661 23.474 1.00 0.00 O -ATOM 1271 H1 TIP3A 424 15.388 22.571 24.289 1.00 0.00 H -ATOM 1272 H2 TIP3A 424 15.421 23.345 22.988 1.00 0.00 H -ATOM 1273 O1 TIP3A 425 16.707 16.124 17.073 1.00 0.00 O -ATOM 1274 H1 TIP3A 425 16.957 15.221 16.880 1.00 0.00 H -ATOM 1275 H2 TIP3A 425 17.329 16.407 17.744 1.00 0.00 H -ATOM 1276 O1 TIP3A 426 37.463 30.466 27.408 1.00 0.00 O -ATOM 1277 H1 TIP3A 426 38.278 29.990 27.254 1.00 0.00 H -ATOM 1278 H2 TIP3A 426 37.737 31.281 27.830 1.00 0.00 H -ATOM 1279 O1 TIP3A 427 7.684 16.465 14.395 1.00 0.00 O -ATOM 1280 H1 TIP3A 427 6.992 16.083 13.857 1.00 0.00 H -ATOM 1281 H2 TIP3A 427 7.306 17.277 14.734 1.00 0.00 H -ATOM 1282 O1 TIP3A 428 30.334 13.358 11.782 1.00 0.00 O -ATOM 1283 H1 TIP3A 428 31.069 13.969 11.739 1.00 0.00 H -ATOM 1284 H2 TIP3A 428 29.702 13.784 12.361 1.00 0.00 H -ATOM 1285 O1 TIP3A 429 25.579 1.132 31.524 1.00 0.00 O -ATOM 1286 H1 TIP3A 429 26.088 1.045 30.719 1.00 0.00 H -ATOM 1287 H2 TIP3A 429 24.966 1.845 31.344 1.00 0.00 H -ATOM 1288 O1 TIP3A 430 1.023 30.688 16.323 1.00 0.00 O -ATOM 1289 H1 TIP3A 430 1.882 30.321 16.115 1.00 0.00 H -ATOM 1290 H2 TIP3A 430 0.484 30.483 15.558 1.00 0.00 H -ATOM 1291 O1 TIP3A 431 11.182 24.095 0.268 1.00 0.00 O -ATOM 1292 H1 TIP3A 431 10.624 23.363 0.009 1.00 0.00 H -ATOM 1293 H2 TIP3A 431 12.063 23.832 0.001 1.00 0.00 H -ATOM 1294 O1 TIP3A 432 26.634 25.142 24.980 1.00 0.00 O -ATOM 1295 H1 TIP3A 432 25.860 25.511 25.403 1.00 0.00 H -ATOM 1296 H2 TIP3A 432 26.318 24.344 24.554 1.00 0.00 H -ATOM 1297 O1 TIP3A 433 13.053 9.936 14.584 1.00 0.00 O -ATOM 1298 H1 TIP3A 433 13.994 10.084 14.507 1.00 0.00 H -ATOM 1299 H2 TIP3A 433 12.838 10.215 15.475 1.00 0.00 H -ATOM 1300 O1 TIP3A 434 3.523 33.528 20.783 1.00 0.00 O -ATOM 1301 H1 TIP3A 434 3.980 32.743 20.485 1.00 0.00 H -ATOM 1302 H2 TIP3A 434 3.571 34.131 20.040 1.00 0.00 H -ATOM 1303 O1 TIP3A 435 3.218 17.813 13.356 1.00 0.00 O -ATOM 1304 H1 TIP3A 435 3.403 16.874 13.356 1.00 0.00 H -ATOM 1305 H2 TIP3A 435 2.520 17.920 12.709 1.00 0.00 H -ATOM 1306 O1 TIP3A 436 13.640 19.284 9.356 1.00 0.00 O -ATOM 1307 H1 TIP3A 436 14.510 18.886 9.334 1.00 0.00 H -ATOM 1308 H2 TIP3A 436 13.065 18.625 8.966 1.00 0.00 H -ATOM 1309 O1 TIP3A 437 31.494 29.487 31.617 1.00 0.00 O -ATOM 1310 H1 TIP3A 437 30.611 29.621 31.274 1.00 0.00 H -ATOM 1311 H2 TIP3A 437 32.064 29.949 31.001 1.00 0.00 H -ATOM 1312 O1 TIP3A 438 0.000 0.813 18.737 1.00 0.00 O -ATOM 1313 H1 TIP3A 438 0.007 1.737 18.491 1.00 0.00 H -ATOM 1314 H2 TIP3A 438 0.256 0.350 17.939 1.00 0.00 H -ATOM 1315 O1 TIP3A 439 29.272 22.460 6.613 1.00 0.00 O -ATOM 1316 H1 TIP3A 439 29.071 21.743 7.214 1.00 0.00 H -ATOM 1317 H2 TIP3A 439 28.473 22.570 6.096 1.00 0.00 H -ATOM 1318 O1 TIP3A 440 17.263 0.034 36.857 1.00 0.00 O -ATOM 1319 H1 TIP3A 440 18.106 0.003 36.406 1.00 0.00 H -ATOM 1320 H2 TIP3A 440 17.488 0.149 37.780 1.00 0.00 H -ATOM 1321 O1 TIP3A 441 17.213 2.133 8.080 1.00 0.00 O -ATOM 1322 H1 TIP3A 441 17.897 2.567 8.589 1.00 0.00 H -ATOM 1323 H2 TIP3A 441 16.393 2.447 8.463 1.00 0.00 H -ATOM 1324 O1 TIP3A 442 24.378 3.079 19.422 1.00 0.00 O -ATOM 1325 H1 TIP3A 442 23.942 2.242 19.582 1.00 0.00 H -ATOM 1326 H2 TIP3A 442 23.816 3.728 19.844 1.00 0.00 H -ATOM 1327 O1 TIP3A 443 32.147 9.411 30.334 1.00 0.00 O -ATOM 1328 H1 TIP3A 443 32.655 8.602 30.291 1.00 0.00 H -ATOM 1329 H2 TIP3A 443 32.795 10.107 30.217 1.00 0.00 H -ATOM 1330 O1 TIP3A 444 31.983 7.970 12.143 1.00 0.00 O -ATOM 1331 H1 TIP3A 444 32.383 8.839 12.112 1.00 0.00 H -ATOM 1332 H2 TIP3A 444 32.434 7.474 11.459 1.00 0.00 H -ATOM 1333 O1 TIP3A 445 1.885 12.353 1.079 1.00 0.00 O -ATOM 1334 H1 TIP3A 445 2.614 12.182 0.484 1.00 0.00 H -ATOM 1335 H2 TIP3A 445 1.305 12.934 0.587 1.00 0.00 H -ATOM 1336 O1 TIP3A 446 28.477 5.374 13.757 1.00 0.00 O -ATOM 1337 H1 TIP3A 446 27.854 5.285 14.478 1.00 0.00 H -ATOM 1338 H2 TIP3A 446 27.931 5.538 12.987 1.00 0.00 H -ATOM 1339 O1 TIP3A 447 27.804 18.461 1.346 1.00 0.00 O -ATOM 1340 H1 TIP3A 447 26.938 18.864 1.394 1.00 0.00 H -ATOM 1341 H2 TIP3A 447 28.122 18.681 0.470 1.00 0.00 H -ATOM 1342 O1 TIP3A 448 31.174 23.506 32.755 1.00 0.00 O -ATOM 1343 H1 TIP3A 448 30.432 22.903 32.753 1.00 0.00 H -ATOM 1344 H2 TIP3A 448 30.788 24.363 32.574 1.00 0.00 H -ATOM 1345 O1 TIP3A 449 25.284 32.862 13.211 1.00 0.00 O -ATOM 1346 H1 TIP3A 449 26.061 32.425 12.864 1.00 0.00 H -ATOM 1347 H2 TIP3A 449 25.579 33.265 14.028 1.00 0.00 H -ATOM 1348 O1 TIP3A 450 4.008 23.036 26.600 1.00 0.00 O -ATOM 1349 H1 TIP3A 450 4.435 23.845 26.880 1.00 0.00 H -ATOM 1350 H2 TIP3A 450 3.281 22.923 27.213 1.00 0.00 H -ATOM 1351 O1 TIP3A 451 7.491 26.113 3.894 1.00 0.00 O -ATOM 1352 H1 TIP3A 451 8.392 26.280 4.169 1.00 0.00 H -ATOM 1353 H2 TIP3A 451 6.957 26.392 4.639 1.00 0.00 H -ATOM 1354 O1 TIP3A 452 25.050 35.883 28.450 1.00 0.00 O -ATOM 1355 H1 TIP3A 452 25.278 34.960 28.341 1.00 0.00 H -ATOM 1356 H2 TIP3A 452 24.215 35.979 27.990 1.00 0.00 H -ATOM 1357 O1 TIP3A 453 18.107 31.675 23.328 1.00 0.00 O -ATOM 1358 H1 TIP3A 453 18.423 32.364 22.744 1.00 0.00 H -ATOM 1359 H2 TIP3A 453 17.412 31.240 22.834 1.00 0.00 H -ATOM 1360 O1 TIP3A 454 23.173 28.044 27.897 1.00 0.00 O -ATOM 1361 H1 TIP3A 454 22.697 28.072 28.727 1.00 0.00 H -ATOM 1362 H2 TIP3A 454 23.382 28.960 27.710 1.00 0.00 H -ATOM 1363 O1 TIP3A 455 6.591 25.499 17.965 1.00 0.00 O -ATOM 1364 H1 TIP3A 455 7.536 25.355 17.979 1.00 0.00 H -ATOM 1365 H2 TIP3A 455 6.443 26.193 18.608 1.00 0.00 H -ATOM 1366 O1 TIP3A 456 28.743 34.168 34.372 1.00 0.00 O -ATOM 1367 H1 TIP3A 456 29.658 34.355 34.165 1.00 0.00 H -ATOM 1368 H2 TIP3A 456 28.250 34.536 33.638 1.00 0.00 H -ATOM 1369 O1 TIP3A 457 16.058 34.021 35.105 1.00 0.00 O -ATOM 1370 H1 TIP3A 457 16.062 33.317 34.457 1.00 0.00 H -ATOM 1371 H2 TIP3A 457 16.068 33.571 35.950 1.00 0.00 H -ATOM 1372 O1 TIP3A 458 25.623 24.963 7.740 1.00 0.00 O -ATOM 1373 H1 TIP3A 458 25.035 24.208 7.745 1.00 0.00 H -ATOM 1374 H2 TIP3A 458 25.245 25.558 7.091 1.00 0.00 H -ATOM 1375 O1 TIP3A 459 4.154 18.236 7.558 1.00 0.00 O -ATOM 1376 H1 TIP3A 459 4.968 18.040 8.022 1.00 0.00 H -ATOM 1377 H2 TIP3A 459 3.666 17.412 7.571 1.00 0.00 H -ATOM 1378 O1 TIP3A 460 5.953 15.028 27.733 1.00 0.00 O -ATOM 1379 H1 TIP3A 460 6.775 15.180 27.267 1.00 0.00 H -ATOM 1380 H2 TIP3A 460 5.801 15.837 28.223 1.00 0.00 H -ATOM 1381 O1 TIP3A 461 22.309 10.148 23.224 1.00 0.00 O -ATOM 1382 H1 TIP3A 461 21.868 9.454 22.736 1.00 0.00 H -ATOM 1383 H2 TIP3A 461 22.127 9.947 24.143 1.00 0.00 H -ATOM 1384 O1 TIP3A 462 3.989 6.439 9.098 1.00 0.00 O -ATOM 1385 H1 TIP3A 462 4.653 5.943 8.619 1.00 0.00 H -ATOM 1386 H2 TIP3A 462 3.839 5.931 9.896 1.00 0.00 H -ATOM 1387 O1 TIP3A 463 21.606 27.052 32.041 1.00 0.00 O -ATOM 1388 H1 TIP3A 463 20.674 26.870 32.163 1.00 0.00 H -ATOM 1389 H2 TIP3A 463 21.633 27.704 31.340 1.00 0.00 H -ATOM 1390 O1 TIP3A 464 21.272 30.976 35.573 1.00 0.00 O -ATOM 1391 H1 TIP3A 464 22.040 30.521 35.916 1.00 0.00 H -ATOM 1392 H2 TIP3A 464 21.611 31.509 34.853 1.00 0.00 H -ATOM 1393 O1 TIP3A 465 38.272 8.464 24.207 1.00 0.00 O -ATOM 1394 H1 TIP3A 465 38.400 8.066 25.068 1.00 0.00 H -ATOM 1395 H2 TIP3A 465 37.419 8.896 24.267 1.00 0.00 H -ATOM 1396 O1 TIP3A 466 20.921 24.359 10.371 1.00 0.00 O -ATOM 1397 H1 TIP3A 466 20.154 24.856 10.654 1.00 0.00 H -ATOM 1398 H2 TIP3A 466 20.981 23.635 10.994 1.00 0.00 H -ATOM 1399 O1 TIP3A 467 4.109 36.438 7.143 1.00 0.00 O -ATOM 1400 H1 TIP3A 467 4.202 36.273 6.206 1.00 0.00 H -ATOM 1401 H2 TIP3A 467 4.662 37.203 7.308 1.00 0.00 H -ATOM 1402 O1 TIP3A 468 5.936 6.319 21.031 1.00 0.00 O -ATOM 1403 H1 TIP3A 468 6.037 7.213 21.356 1.00 0.00 H -ATOM 1404 H2 TIP3A 468 5.074 6.045 21.345 1.00 0.00 H -ATOM 1405 O1 TIP3A 469 7.985 20.893 37.559 1.00 0.00 O -ATOM 1406 H1 TIP3A 469 7.116 20.498 37.626 1.00 0.00 H -ATOM 1407 H2 TIP3A 469 8.403 20.697 38.398 1.00 0.00 H -ATOM 1408 O1 TIP3A 470 4.957 10.748 30.356 1.00 0.00 O -ATOM 1409 H1 TIP3A 470 5.174 9.834 30.534 1.00 0.00 H -ATOM 1410 H2 TIP3A 470 4.417 10.717 29.565 1.00 0.00 H -ATOM 1411 O1 TIP3A 471 13.995 35.622 18.478 1.00 0.00 O -ATOM 1412 H1 TIP3A 471 14.730 35.295 18.995 1.00 0.00 H -ATOM 1413 H2 TIP3A 471 13.374 35.954 19.127 1.00 0.00 H -ATOM 1414 O1 TIP3A 472 37.487 35.764 6.079 1.00 0.00 O -ATOM 1415 H1 TIP3A 472 36.991 35.069 6.510 1.00 0.00 H -ATOM 1416 H2 TIP3A 472 36.862 36.165 5.473 1.00 0.00 H -ATOM 1417 O1 TIP3A 473 25.840 7.669 20.726 1.00 0.00 O -ATOM 1418 H1 TIP3A 473 25.594 8.517 20.357 1.00 0.00 H -ATOM 1419 H2 TIP3A 473 26.542 7.871 21.345 1.00 0.00 H -ATOM 1420 O1 TIP3A 474 18.936 7.941 14.727 1.00 0.00 O -ATOM 1421 H1 TIP3A 474 18.203 8.556 14.743 1.00 0.00 H -ATOM 1422 H2 TIP3A 474 18.698 7.267 15.365 1.00 0.00 H -ATOM 1423 O1 TIP3A 475 8.549 8.387 34.973 1.00 0.00 O -ATOM 1424 H1 TIP3A 475 7.606 8.357 35.131 1.00 0.00 H -ATOM 1425 H2 TIP3A 475 8.863 7.520 35.229 1.00 0.00 H -ATOM 1426 O1 TIP3A 476 9.802 32.354 6.365 1.00 0.00 O -ATOM 1427 H1 TIP3A 476 9.068 32.927 6.143 1.00 0.00 H -ATOM 1428 H2 TIP3A 476 9.867 32.407 7.319 1.00 0.00 H -ATOM 1429 O1 TIP3A 477 20.902 14.979 25.429 1.00 0.00 O -ATOM 1430 H1 TIP3A 477 20.011 14.890 25.092 1.00 0.00 H -ATOM 1431 H2 TIP3A 477 21.087 14.135 25.843 1.00 0.00 H -ATOM 1432 O1 TIP3A 478 11.975 30.207 32.911 1.00 0.00 O -ATOM 1433 H1 TIP3A 478 11.366 30.945 32.907 1.00 0.00 H -ATOM 1434 H2 TIP3A 478 12.654 30.453 32.281 1.00 0.00 H -ATOM 1435 O1 TIP3A 479 1.639 21.464 19.355 1.00 0.00 O -ATOM 1436 H1 TIP3A 479 2.211 22.230 19.333 1.00 0.00 H -ATOM 1437 H2 TIP3A 479 2.042 20.846 18.744 1.00 0.00 H -ATOM 1438 O1 TIP3A 480 4.237 3.259 14.350 1.00 0.00 O -ATOM 1439 H1 TIP3A 480 3.485 2.923 14.835 1.00 0.00 H -ATOM 1440 H2 TIP3A 480 4.958 2.676 14.590 1.00 0.00 H -ATOM 1441 O1 TIP3A 481 24.786 31.032 28.253 1.00 0.00 O -ATOM 1442 H1 TIP3A 481 24.781 30.753 27.338 1.00 0.00 H -ATOM 1443 H2 TIP3A 481 23.877 30.938 28.538 1.00 0.00 H -ATOM 1444 O1 TIP3A 482 27.428 2.576 6.664 1.00 0.00 O -ATOM 1445 H1 TIP3A 482 26.965 2.228 7.426 1.00 0.00 H -ATOM 1446 H2 TIP3A 482 26.733 2.885 6.082 1.00 0.00 H -ATOM 1447 O1 TIP3A 483 16.860 9.125 12.773 1.00 0.00 O -ATOM 1448 H1 TIP3A 483 16.314 8.387 12.504 1.00 0.00 H -ATOM 1449 H2 TIP3A 483 16.397 9.897 12.448 1.00 0.00 H -ATOM 1450 O1 TIP3A 484 15.576 5.736 8.589 1.00 0.00 O -ATOM 1451 H1 TIP3A 484 15.650 6.675 8.755 1.00 0.00 H -ATOM 1452 H2 TIP3A 484 14.822 5.459 9.110 1.00 0.00 H -ATOM 1453 O1 TIP3A 485 29.177 34.393 15.504 1.00 0.00 O -ATOM 1454 H1 TIP3A 485 30.077 34.638 15.715 1.00 0.00 H -ATOM 1455 H2 TIP3A 485 29.176 34.279 14.553 1.00 0.00 H -ATOM 1456 O1 TIP3A 486 36.552 30.933 17.533 1.00 0.00 O -ATOM 1457 H1 TIP3A 486 35.736 31.418 17.412 1.00 0.00 H -ATOM 1458 H2 TIP3A 486 36.456 30.511 18.388 1.00 0.00 H -ATOM 1459 O1 TIP3A 487 4.706 26.956 1.972 1.00 0.00 O -ATOM 1460 H1 TIP3A 487 3.884 26.552 2.249 1.00 0.00 H -ATOM 1461 H2 TIP3A 487 5.375 26.537 2.514 1.00 0.00 H -ATOM 1462 O1 TIP3A 488 30.935 15.241 5.192 1.00 0.00 O -ATOM 1463 H1 TIP3A 488 31.271 16.108 4.966 1.00 0.00 H -ATOM 1464 H2 TIP3A 488 30.866 15.252 6.147 1.00 0.00 H -ATOM 1465 O1 TIP3A 489 3.580 33.766 23.314 1.00 0.00 O -ATOM 1466 H1 TIP3A 489 3.449 32.882 23.654 1.00 0.00 H -ATOM 1467 H2 TIP3A 489 4.058 34.221 24.009 1.00 0.00 H -ATOM 1468 O1 TIP3A 490 0.636 22.965 27.431 1.00 0.00 O -ATOM 1469 H1 TIP3A 490 0.004 22.761 28.119 1.00 0.00 H -ATOM 1470 H2 TIP3A 490 0.305 23.772 27.033 1.00 0.00 H -ATOM 1471 O1 TIP3A 491 8.432 9.052 22.216 1.00 0.00 O -ATOM 1472 H1 TIP3A 491 7.896 9.027 21.424 1.00 0.00 H -ATOM 1473 H2 TIP3A 491 9.138 8.428 22.048 1.00 0.00 H -ATOM 1474 O1 TIP3A 492 11.527 34.593 3.306 1.00 0.00 O -ATOM 1475 H1 TIP3A 492 11.341 35.293 2.680 1.00 0.00 H -ATOM 1476 H2 TIP3A 492 10.758 34.570 3.876 1.00 0.00 H -ATOM 1477 O1 TIP3A 493 34.482 20.618 2.592 1.00 0.00 O -ATOM 1478 H1 TIP3A 493 33.644 20.540 2.138 1.00 0.00 H -ATOM 1479 H2 TIP3A 493 34.261 20.534 3.520 1.00 0.00 H -ATOM 1480 O1 TIP3A 494 12.791 26.874 16.813 1.00 0.00 O -ATOM 1481 H1 TIP3A 494 12.922 27.293 17.663 1.00 0.00 H -ATOM 1482 H2 TIP3A 494 11.865 26.628 16.807 1.00 0.00 H -ATOM 1483 O1 TIP3A 495 35.338 18.970 8.795 1.00 0.00 O -ATOM 1484 H1 TIP3A 495 36.221 19.251 9.030 1.00 0.00 H -ATOM 1485 H2 TIP3A 495 35.462 18.127 8.357 1.00 0.00 H -ATOM 1486 O1 TIP3A 496 9.070 5.239 7.789 1.00 0.00 O -ATOM 1487 H1 TIP3A 496 8.860 6.157 7.624 1.00 0.00 H -ATOM 1488 H2 TIP3A 496 9.599 4.975 7.035 1.00 0.00 H -ATOM 1489 O1 TIP3A 497 33.207 29.292 13.779 1.00 0.00 O -ATOM 1490 H1 TIP3A 497 33.366 29.215 12.839 1.00 0.00 H -ATOM 1491 H2 TIP3A 497 33.061 28.392 14.073 1.00 0.00 H -ATOM 1492 O1 TIP3A 498 34.508 1.980 28.571 1.00 0.00 O -ATOM 1493 H1 TIP3A 498 35.357 2.420 28.594 1.00 0.00 H -ATOM 1494 H2 TIP3A 498 33.871 2.690 28.482 1.00 0.00 H -ATOM 1495 O1 TIP3A 499 36.127 10.205 2.928 1.00 0.00 O -ATOM 1496 H1 TIP3A 499 35.558 10.834 2.486 1.00 0.00 H -ATOM 1497 H2 TIP3A 499 35.692 10.035 3.764 1.00 0.00 H -ATOM 1498 O1 TIP3A 500 2.632 16.754 35.344 1.00 0.00 O -ATOM 1499 H1 TIP3A 500 2.749 17.491 35.943 1.00 0.00 H -ATOM 1500 H2 TIP3A 500 2.214 17.136 34.572 1.00 0.00 H -ATOM 1501 O1 TIP3A 501 9.512 21.844 25.539 1.00 0.00 O -ATOM 1502 H1 TIP3A 501 9.678 22.778 25.415 1.00 0.00 H -ATOM 1503 H2 TIP3A 501 10.043 21.605 26.299 1.00 0.00 H -ATOM 1504 O1 TIP3A 502 0.454 11.151 4.846 1.00 0.00 O -ATOM 1505 H1 TIP3A 502 0.000 11.269 5.679 1.00 0.00 H -ATOM 1506 H2 TIP3A 502 0.652 10.215 4.810 1.00 0.00 H -ATOM 1507 O1 TIP3A 503 6.028 3.558 19.102 1.00 0.00 O -ATOM 1508 H1 TIP3A 503 6.974 3.449 19.013 1.00 0.00 H -ATOM 1509 H2 TIP3A 503 5.928 4.302 19.697 1.00 0.00 H -ATOM 1510 O1 TIP3A 504 24.341 35.830 4.698 1.00 0.00 O -ATOM 1511 H1 TIP3A 504 25.245 35.900 5.002 1.00 0.00 H -ATOM 1512 H2 TIP3A 504 24.255 34.922 4.407 1.00 0.00 H -ATOM 1513 O1 TIP3A 505 30.495 13.771 19.334 1.00 0.00 O -ATOM 1514 H1 TIP3A 505 31.430 13.959 19.264 1.00 0.00 H -ATOM 1515 H2 TIP3A 505 30.131 14.527 19.797 1.00 0.00 H -ATOM 1516 O1 TIP3A 506 19.417 3.044 6.373 1.00 0.00 O -ATOM 1517 H1 TIP3A 506 20.208 3.563 6.515 1.00 0.00 H -ATOM 1518 H2 TIP3A 506 18.722 3.545 6.801 1.00 0.00 H -ATOM 1519 O1 TIP3A 507 4.902 22.166 34.640 1.00 0.00 O -ATOM 1520 H1 TIP3A 507 4.480 22.810 34.072 1.00 0.00 H -ATOM 1521 H2 TIP3A 507 5.008 21.391 34.087 1.00 0.00 H -ATOM 1522 O1 TIP3A 508 17.136 37.760 23.384 1.00 0.00 O -ATOM 1523 H1 TIP3A 508 16.933 36.912 22.991 1.00 0.00 H -ATOM 1524 H2 TIP3A 508 16.882 38.400 22.718 1.00 0.00 H -ATOM 1525 O1 TIP3A 509 26.499 31.931 15.888 1.00 0.00 O -ATOM 1526 H1 TIP3A 509 25.710 31.413 15.728 1.00 0.00 H -ATOM 1527 H2 TIP3A 509 26.683 31.808 16.820 1.00 0.00 H -ATOM 1528 O1 TIP3A 510 33.037 26.127 31.505 1.00 0.00 O -ATOM 1529 H1 TIP3A 510 33.241 25.529 32.223 1.00 0.00 H -ATOM 1530 H2 TIP3A 510 32.230 25.779 31.124 1.00 0.00 H -ATOM 1531 O1 TIP3A 511 22.778 4.198 14.437 1.00 0.00 O -ATOM 1532 H1 TIP3A 511 23.571 4.673 14.682 1.00 0.00 H -ATOM 1533 H2 TIP3A 511 22.110 4.878 14.343 1.00 0.00 H -ATOM 1534 O1 TIP3A 512 22.328 16.712 23.964 1.00 0.00 O -ATOM 1535 H1 TIP3A 512 22.867 17.487 23.808 1.00 0.00 H -ATOM 1536 H2 TIP3A 512 22.925 16.082 24.370 1.00 0.00 H -ATOM 1537 O1 TIP3A 513 35.832 3.464 30.668 1.00 0.00 O -ATOM 1538 H1 TIP3A 513 35.549 4.363 30.501 1.00 0.00 H -ATOM 1539 H2 TIP3A 513 36.623 3.360 30.139 1.00 0.00 H -ATOM 1540 O1 TIP3A 514 9.318 10.667 15.249 1.00 0.00 O -ATOM 1541 H1 TIP3A 514 9.012 10.949 14.388 1.00 0.00 H -ATOM 1542 H2 TIP3A 514 8.529 10.660 15.794 1.00 0.00 H -ATOM 1543 O1 TIP3A 515 19.029 10.619 26.217 1.00 0.00 O -ATOM 1544 H1 TIP3A 515 19.102 10.850 27.142 1.00 0.00 H -ATOM 1545 H2 TIP3A 515 19.934 10.495 25.928 1.00 0.00 H -ATOM 1546 O1 TIP3A 516 11.216 15.527 32.276 1.00 0.00 O -ATOM 1547 H1 TIP3A 516 10.394 15.965 32.056 1.00 0.00 H -ATOM 1548 H2 TIP3A 516 11.712 16.181 32.769 1.00 0.00 H -ATOM 1549 O1 TIP3A 517 36.651 6.734 18.794 1.00 0.00 O -ATOM 1550 H1 TIP3A 517 36.361 5.829 18.899 1.00 0.00 H -ATOM 1551 H2 TIP3A 517 36.117 7.231 19.414 1.00 0.00 H -ATOM 1552 O1 TIP3A 518 21.634 15.749 2.529 1.00 0.00 O -ATOM 1553 H1 TIP3A 518 21.779 16.433 3.182 1.00 0.00 H -ATOM 1554 H2 TIP3A 518 22.250 15.954 1.825 1.00 0.00 H -ATOM 1555 O1 TIP3A 519 35.632 9.198 29.847 1.00 0.00 O -ATOM 1556 H1 TIP3A 519 34.967 9.884 29.900 1.00 0.00 H -ATOM 1557 H2 TIP3A 519 35.355 8.544 30.489 1.00 0.00 H -ATOM 1558 O1 TIP3A 520 37.554 25.020 10.251 1.00 0.00 O -ATOM 1559 H1 TIP3A 520 38.399 25.446 10.391 1.00 0.00 H -ATOM 1560 H2 TIP3A 520 37.067 25.182 11.059 1.00 0.00 H -ATOM 1561 O1 TIP3A 521 17.473 5.346 27.378 1.00 0.00 O -ATOM 1562 H1 TIP3A 521 17.387 6.157 26.878 1.00 0.00 H -ATOM 1563 H2 TIP3A 521 16.631 5.249 27.824 1.00 0.00 H -ATOM 1564 O1 TIP3A 522 37.317 10.556 30.979 1.00 0.00 O -ATOM 1565 H1 TIP3A 522 36.437 10.683 31.331 1.00 0.00 H -ATOM 1566 H2 TIP3A 522 37.662 11.442 30.866 1.00 0.00 H -ATOM 1567 O1 TIP3A 523 27.846 0.889 22.184 1.00 0.00 O -ATOM 1568 H1 TIP3A 523 28.552 1.156 21.596 1.00 0.00 H -ATOM 1569 H2 TIP3A 523 28.081 0.000 22.453 1.00 0.00 H -ATOM 1570 O1 TIP3A 524 21.569 31.278 10.892 1.00 0.00 O -ATOM 1571 H1 TIP3A 524 21.424 32.077 10.386 1.00 0.00 H -ATOM 1572 H2 TIP3A 524 21.098 31.425 11.713 1.00 0.00 H -ATOM 1573 O1 TIP3A 525 11.804 24.367 27.653 1.00 0.00 O -ATOM 1574 H1 TIP3A 525 10.902 24.090 27.498 1.00 0.00 H -ATOM 1575 H2 TIP3A 525 12.043 23.956 28.484 1.00 0.00 H -ATOM 1576 O1 TIP3A 526 34.898 31.223 22.980 1.00 0.00 O -ATOM 1577 H1 TIP3A 526 33.995 30.913 23.048 1.00 0.00 H -ATOM 1578 H2 TIP3A 526 35.370 30.499 22.568 1.00 0.00 H -ATOM 1579 O1 TIP3A 527 2.657 4.664 7.219 1.00 0.00 O -ATOM 1580 H1 TIP3A 527 3.102 5.505 7.122 1.00 0.00 H -ATOM 1581 H2 TIP3A 527 1.955 4.834 7.848 1.00 0.00 H -ATOM 1582 O1 TIP3A 528 37.603 35.198 35.934 1.00 0.00 O -ATOM 1583 H1 TIP3A 528 38.398 35.706 36.092 1.00 0.00 H -ATOM 1584 H2 TIP3A 528 36.925 35.652 36.435 1.00 0.00 H -ATOM 1585 O1 TIP3A 529 20.139 2.062 4.542 1.00 0.00 O -ATOM 1586 H1 TIP3A 529 20.512 1.207 4.330 1.00 0.00 H -ATOM 1587 H2 TIP3A 529 19.267 2.049 4.145 1.00 0.00 H -ATOM 1588 O1 TIP3A 530 27.664 30.248 7.763 1.00 0.00 O -ATOM 1589 H1 TIP3A 530 27.069 30.117 8.500 1.00 0.00 H -ATOM 1590 H2 TIP3A 530 28.117 29.409 7.669 1.00 0.00 H -ATOM 1591 O1 TIP3A 531 14.843 13.546 16.404 1.00 0.00 O -ATOM 1592 H1 TIP3A 531 14.270 14.243 16.087 1.00 0.00 H -ATOM 1593 H2 TIP3A 531 15.226 13.898 17.208 1.00 0.00 H -ATOM 1594 O1 TIP3A 532 23.231 15.864 19.427 1.00 0.00 O -ATOM 1595 H1 TIP3A 532 23.726 16.632 19.710 1.00 0.00 H -ATOM 1596 H2 TIP3A 532 22.639 15.677 20.157 1.00 0.00 H -ATOM 1597 O1 TIP3A 533 16.913 12.297 21.374 1.00 0.00 O -ATOM 1598 H1 TIP3A 533 16.819 11.509 20.840 1.00 0.00 H -ATOM 1599 H2 TIP3A 533 16.085 12.764 21.261 1.00 0.00 H -ATOM 1600 O1 TIP3A 534 12.682 29.904 12.988 1.00 0.00 O -ATOM 1601 H1 TIP3A 534 13.306 29.212 13.204 1.00 0.00 H -ATOM 1602 H2 TIP3A 534 11.943 29.755 13.579 1.00 0.00 H -ATOM 1603 O1 TIP3A 535 25.969 35.850 17.978 1.00 0.00 O -ATOM 1604 H1 TIP3A 535 25.282 35.384 17.503 1.00 0.00 H -ATOM 1605 H2 TIP3A 535 25.557 36.669 18.255 1.00 0.00 H -ATOM 1606 O1 TIP3A 536 18.456 21.520 10.282 1.00 0.00 O -ATOM 1607 H1 TIP3A 536 17.600 21.590 10.704 1.00 0.00 H -ATOM 1608 H2 TIP3A 536 18.720 22.427 10.122 1.00 0.00 H -ATOM 1609 O1 TIP3A 537 12.098 21.201 16.647 1.00 0.00 O -ATOM 1610 H1 TIP3A 537 11.499 21.805 17.085 1.00 0.00 H -ATOM 1611 H2 TIP3A 537 12.190 21.554 15.762 1.00 0.00 H -ATOM 1612 O1 TIP3A 538 1.966 32.991 7.911 1.00 0.00 O -ATOM 1613 H1 TIP3A 538 2.854 33.073 7.564 1.00 0.00 H -ATOM 1614 H2 TIP3A 538 1.858 33.755 8.477 1.00 0.00 H -ATOM 1615 O1 TIP3A 539 26.311 17.269 11.625 1.00 0.00 O -ATOM 1616 H1 TIP3A 539 25.601 16.629 11.587 1.00 0.00 H -ATOM 1617 H2 TIP3A 539 26.043 17.884 12.308 1.00 0.00 H -ATOM 1618 O1 TIP3A 540 27.436 37.095 4.675 1.00 0.00 O -ATOM 1619 H1 TIP3A 540 26.745 37.590 5.114 1.00 0.00 H -ATOM 1620 H2 TIP3A 540 27.115 36.976 3.780 1.00 0.00 H -ATOM 1621 O1 TIP3A 541 22.294 12.277 25.621 1.00 0.00 O -ATOM 1622 H1 TIP3A 541 22.777 12.635 24.876 1.00 0.00 H -ATOM 1623 H2 TIP3A 541 22.913 12.319 26.350 1.00 0.00 H -ATOM 1624 O1 TIP3A 542 23.230 23.193 17.346 1.00 0.00 O -ATOM 1625 H1 TIP3A 542 22.509 23.781 17.566 1.00 0.00 H -ATOM 1626 H2 TIP3A 542 23.647 22.999 18.187 1.00 0.00 H -ATOM 1627 O1 TIP3A 543 25.954 12.246 27.583 1.00 0.00 O -ATOM 1628 H1 TIP3A 543 25.381 12.857 27.121 1.00 0.00 H -ATOM 1629 H2 TIP3A 543 26.781 12.280 27.102 1.00 0.00 H -ATOM 1630 O1 TIP3A 544 4.711 13.714 35.000 1.00 0.00 O -ATOM 1631 H1 TIP3A 544 3.987 14.267 35.292 1.00 0.00 H -ATOM 1632 H2 TIP3A 544 4.290 13.005 34.512 1.00 0.00 H -ATOM 1633 O1 TIP3A 545 17.972 2.017 19.097 1.00 0.00 O -ATOM 1634 H1 TIP3A 545 17.317 2.183 18.419 1.00 0.00 H -ATOM 1635 H2 TIP3A 545 18.807 2.239 18.683 1.00 0.00 H -ATOM 1636 O1 TIP3A 546 20.238 6.752 2.503 1.00 0.00 O -ATOM 1637 H1 TIP3A 546 20.106 7.688 2.646 1.00 0.00 H -ATOM 1638 H2 TIP3A 546 19.441 6.463 2.056 1.00 0.00 H -ATOM 1639 O1 TIP3A 547 25.080 20.914 2.296 1.00 0.00 O -ATOM 1640 H1 TIP3A 547 25.148 20.280 1.583 1.00 0.00 H -ATOM 1641 H2 TIP3A 547 24.859 20.387 3.065 1.00 0.00 H -ATOM 1642 O1 TIP3A 548 32.739 28.032 5.515 1.00 0.00 O -ATOM 1643 H1 TIP3A 548 33.407 28.715 5.563 1.00 0.00 H -ATOM 1644 H2 TIP3A 548 32.906 27.480 6.280 1.00 0.00 H -ATOM 1645 O1 TIP3A 549 21.396 8.812 13.787 1.00 0.00 O -ATOM 1646 H1 TIP3A 549 20.680 9.390 14.048 1.00 0.00 H -ATOM 1647 H2 TIP3A 549 21.863 8.625 14.602 1.00 0.00 H -ATOM 1648 O1 TIP3A 550 23.162 10.065 13.398 1.00 0.00 O -ATOM 1649 H1 TIP3A 550 23.462 10.949 13.191 1.00 0.00 H -ATOM 1650 H2 TIP3A 550 23.757 9.490 12.915 1.00 0.00 H -ATOM 1651 O1 TIP3A 551 17.005 25.966 9.349 1.00 0.00 O -ATOM 1652 H1 TIP3A 551 17.901 26.048 9.674 1.00 0.00 H -ATOM 1653 H2 TIP3A 551 16.463 25.967 10.138 1.00 0.00 H -ATOM 1654 O1 TIP3A 552 36.464 10.371 27.136 1.00 0.00 O -ATOM 1655 H1 TIP3A 552 37.218 10.857 27.467 1.00 0.00 H -ATOM 1656 H2 TIP3A 552 35.716 10.947 27.299 1.00 0.00 H -ATOM 1657 O1 TIP3A 553 13.969 11.554 3.049 1.00 0.00 O -ATOM 1658 H1 TIP3A 553 13.625 12.367 3.418 1.00 0.00 H -ATOM 1659 H2 TIP3A 553 14.912 11.596 3.214 1.00 0.00 H -ATOM 1660 O1 TIP3A 554 36.415 13.760 27.386 1.00 0.00 O -ATOM 1661 H1 TIP3A 554 35.739 13.142 27.661 1.00 0.00 H -ATOM 1662 H2 TIP3A 554 37.108 13.211 27.018 1.00 0.00 H -ATOM 1663 O1 TIP3A 555 0.997 5.834 0.953 1.00 0.00 O -ATOM 1664 H1 TIP3A 555 1.552 6.311 1.570 1.00 0.00 H -ATOM 1665 H2 TIP3A 555 1.078 4.917 1.217 1.00 0.00 H -ATOM 1666 O1 TIP3A 556 37.852 2.237 38.205 1.00 0.00 O -ATOM 1667 H1 TIP3A 556 36.962 2.193 37.856 1.00 0.00 H -ATOM 1668 H2 TIP3A 556 38.400 2.426 37.443 1.00 0.00 H -ATOM 1669 O1 TIP3A 557 18.038 28.369 18.760 1.00 0.00 O -ATOM 1670 H1 TIP3A 557 17.650 29.092 19.251 1.00 0.00 H -ATOM 1671 H2 TIP3A 557 17.319 27.748 18.637 1.00 0.00 H -ATOM 1672 O1 TIP3A 558 16.820 20.440 6.092 1.00 0.00 O -ATOM 1673 H1 TIP3A 558 16.968 19.528 5.845 1.00 0.00 H -ATOM 1674 H2 TIP3A 558 17.050 20.941 5.308 1.00 0.00 H -ATOM 1675 O1 TIP3A 559 33.163 6.273 1.469 1.00 0.00 O -ATOM 1676 H1 TIP3A 559 33.887 6.897 1.431 1.00 0.00 H -ATOM 1677 H2 TIP3A 559 32.590 6.612 2.157 1.00 0.00 H -ATOM 1678 O1 TIP3A 560 10.033 25.235 14.365 1.00 0.00 O -ATOM 1679 H1 TIP3A 560 9.313 24.635 14.173 1.00 0.00 H -ATOM 1680 H2 TIP3A 560 10.478 24.843 15.117 1.00 0.00 H -ATOM 1681 O1 TIP3A 561 24.477 10.187 4.383 1.00 0.00 O -ATOM 1682 H1 TIP3A 561 24.363 11.128 4.255 1.00 0.00 H -ATOM 1683 H2 TIP3A 561 23.677 9.906 4.830 1.00 0.00 H -ATOM 1684 O1 TIP3A 562 24.934 25.662 28.348 1.00 0.00 O -ATOM 1685 H1 TIP3A 562 25.075 25.357 27.453 1.00 0.00 H -ATOM 1686 H2 TIP3A 562 25.712 25.372 28.826 1.00 0.00 H -ATOM 1687 O1 TIP3A 563 1.997 37.899 16.018 1.00 0.00 O -ATOM 1688 H1 TIP3A 563 1.047 37.990 16.082 1.00 0.00 H -ATOM 1689 H2 TIP3A 563 2.214 37.201 16.636 1.00 0.00 H -ATOM 1690 O1 TIP3A 564 11.297 28.253 6.837 1.00 0.00 O -ATOM 1691 H1 TIP3A 564 10.424 28.361 7.213 1.00 0.00 H -ATOM 1692 H2 TIP3A 564 11.880 28.203 7.595 1.00 0.00 H -ATOM 1693 O1 TIP3A 565 9.286 3.501 16.688 1.00 0.00 O -ATOM 1694 H1 TIP3A 565 8.602 2.862 16.884 1.00 0.00 H -ATOM 1695 H2 TIP3A 565 8.901 4.066 16.017 1.00 0.00 H -ATOM 1696 O1 TIP3A 566 3.240 13.242 3.504 1.00 0.00 O -ATOM 1697 H1 TIP3A 566 2.438 12.727 3.583 1.00 0.00 H -ATOM 1698 H2 TIP3A 566 3.947 12.604 3.611 1.00 0.00 H -ATOM 1699 O1 TIP3A 567 8.668 32.287 21.715 1.00 0.00 O -ATOM 1700 H1 TIP3A 567 8.748 31.420 21.318 1.00 0.00 H -ATOM 1701 H2 TIP3A 567 7.947 32.703 21.241 1.00 0.00 H -ATOM 1702 O1 TIP3A 568 20.564 9.875 34.828 1.00 0.00 O -ATOM 1703 H1 TIP3A 568 21.232 9.252 34.546 1.00 0.00 H -ATOM 1704 H2 TIP3A 568 20.707 9.970 35.771 1.00 0.00 H -ATOM 1705 O1 TIP3A 569 9.697 0.443 2.399 1.00 0.00 O -ATOM 1706 H1 TIP3A 569 9.218 1.149 1.968 1.00 0.00 H -ATOM 1707 H2 TIP3A 569 10.415 0.883 2.856 1.00 0.00 H -ATOM 1708 O1 TIP3A 570 23.443 29.184 38.326 1.00 0.00 O -ATOM 1709 H1 TIP3A 570 22.592 28.791 38.134 1.00 0.00 H -ATOM 1710 H2 TIP3A 570 23.841 29.325 37.466 1.00 0.00 H -ATOM 1711 O1 TIP3A 571 2.662 26.797 33.759 1.00 0.00 O -ATOM 1712 H1 TIP3A 571 2.948 26.503 32.895 1.00 0.00 H -ATOM 1713 H2 TIP3A 571 1.768 27.112 33.621 1.00 0.00 H -ATOM 1714 O1 TIP3A 572 10.386 34.026 33.109 1.00 0.00 O -ATOM 1715 H1 TIP3A 572 9.477 33.882 32.847 1.00 0.00 H -ATOM 1716 H2 TIP3A 572 10.721 34.660 32.474 1.00 0.00 H -ATOM 1717 O1 TIP3A 573 2.165 13.411 12.647 1.00 0.00 O -ATOM 1718 H1 TIP3A 573 1.218 13.539 12.675 1.00 0.00 H -ATOM 1719 H2 TIP3A 573 2.478 14.064 12.020 1.00 0.00 H -ATOM 1720 O1 TIP3A 574 26.116 17.021 31.090 1.00 0.00 O -ATOM 1721 H1 TIP3A 574 26.536 17.338 30.291 1.00 0.00 H -ATOM 1722 H2 TIP3A 574 25.851 17.816 31.554 1.00 0.00 H -ATOM 1723 O1 TIP3A 575 5.820 25.483 15.662 1.00 0.00 O -ATOM 1724 H1 TIP3A 575 6.357 26.274 15.673 1.00 0.00 H -ATOM 1725 H2 TIP3A 575 5.138 25.646 16.315 1.00 0.00 H -ATOM 1726 O1 TIP3A 576 15.122 15.073 28.000 1.00 0.00 O -ATOM 1727 H1 TIP3A 576 15.207 16.000 27.780 1.00 0.00 H -ATOM 1728 H2 TIP3A 576 14.441 14.748 27.411 1.00 0.00 H -ATOM 1729 O1 TIP3A 577 17.377 37.721 3.265 1.00 0.00 O -ATOM 1730 H1 TIP3A 577 17.943 38.401 3.630 1.00 0.00 H -ATOM 1731 H2 TIP3A 577 16.643 37.665 3.877 1.00 0.00 H -ATOM 1732 O1 TIP3A 578 36.169 15.430 19.585 1.00 0.00 O -ATOM 1733 H1 TIP3A 578 35.459 16.056 19.719 1.00 0.00 H -ATOM 1734 H2 TIP3A 578 36.830 15.919 19.092 1.00 0.00 H -ATOM 1735 O1 TIP3A 579 16.994 30.063 30.079 1.00 0.00 O -ATOM 1736 H1 TIP3A 579 16.335 30.672 29.748 1.00 0.00 H -ATOM 1737 H2 TIP3A 579 16.540 29.222 30.132 1.00 0.00 H -ATOM 1738 O1 TIP3A 580 16.953 18.726 10.364 1.00 0.00 O -ATOM 1739 H1 TIP3A 580 17.589 19.433 10.257 1.00 0.00 H -ATOM 1740 H2 TIP3A 580 16.181 19.151 10.739 1.00 0.00 H -ATOM 1741 O1 TIP3A 581 14.910 38.144 12.181 1.00 0.00 O -ATOM 1742 H1 TIP3A 581 15.764 37.714 12.181 1.00 0.00 H -ATOM 1743 H2 TIP3A 581 14.389 37.643 11.554 1.00 0.00 H -ATOM 1744 O1 TIP3A 582 12.665 16.887 25.448 1.00 0.00 O -ATOM 1745 H1 TIP3A 582 12.954 15.986 25.591 1.00 0.00 H -ATOM 1746 H2 TIP3A 582 13.154 17.401 26.090 1.00 0.00 H -ATOM 1747 O1 TIP3A 583 11.224 15.073 0.000 1.00 0.00 O -ATOM 1748 H1 TIP3A 583 12.135 14.783 0.013 1.00 0.00 H -ATOM 1749 H2 TIP3A 583 11.221 15.881 0.515 1.00 0.00 H -ATOM 1750 O1 TIP3A 584 24.140 4.661 4.531 1.00 0.00 O -ATOM 1751 H1 TIP3A 584 24.278 4.122 5.309 1.00 0.00 H -ATOM 1752 H2 TIP3A 584 23.570 5.371 4.828 1.00 0.00 H -ATOM 1753 O1 TIP3A 585 11.099 31.393 19.075 1.00 0.00 O -ATOM 1754 H1 TIP3A 585 10.370 31.789 18.598 1.00 0.00 H -ATOM 1755 H2 TIP3A 585 11.877 31.832 18.731 1.00 0.00 H -ATOM 1756 O1 TIP3A 586 11.231 8.719 15.332 1.00 0.00 O -ATOM 1757 H1 TIP3A 586 10.695 9.086 16.033 1.00 0.00 H -ATOM 1758 H2 TIP3A 586 11.737 8.024 15.755 1.00 0.00 H -ATOM 1759 O1 TIP3A 587 29.963 16.979 15.418 1.00 0.00 O -ATOM 1760 H1 TIP3A 587 29.156 17.471 15.565 1.00 0.00 H -ATOM 1761 H2 TIP3A 587 29.852 16.176 15.928 1.00 0.00 H -ATOM 1762 O1 TIP3A 588 10.103 12.494 35.954 1.00 0.00 O -ATOM 1763 H1 TIP3A 588 9.998 13.430 36.117 1.00 0.00 H -ATOM 1764 H2 TIP3A 588 10.218 12.427 35.006 1.00 0.00 H -ATOM 1765 O1 TIP3A 589 28.493 36.850 35.610 1.00 0.00 O -ATOM 1766 H1 TIP3A 589 28.320 36.114 36.195 1.00 0.00 H -ATOM 1767 H2 TIP3A 589 29.430 37.022 35.710 1.00 0.00 H -ATOM 1768 O1 TIP3A 590 18.691 3.933 17.283 1.00 0.00 O -ATOM 1769 H1 TIP3A 590 18.710 4.508 18.047 1.00 0.00 H -ATOM 1770 H2 TIP3A 590 17.762 3.857 17.062 1.00 0.00 H -ATOM 1771 O1 TIP3A 591 15.961 33.547 31.480 1.00 0.00 O -ATOM 1772 H1 TIP3A 591 16.622 33.583 32.170 1.00 0.00 H -ATOM 1773 H2 TIP3A 591 15.140 33.767 31.923 1.00 0.00 H -ATOM 1774 O1 TIP3A 592 2.778 4.376 18.300 1.00 0.00 O -ATOM 1775 H1 TIP3A 592 3.467 3.725 18.170 1.00 0.00 H -ATOM 1776 H2 TIP3A 592 2.107 4.147 17.657 1.00 0.00 H -ATOM 1777 O1 TIP3A 593 18.925 8.571 6.538 1.00 0.00 O -ATOM 1778 H1 TIP3A 593 19.083 9.502 6.691 1.00 0.00 H -ATOM 1779 H2 TIP3A 593 18.111 8.545 6.034 1.00 0.00 H -ATOM 1780 O1 TIP3A 594 9.341 19.328 11.608 1.00 0.00 O -ATOM 1781 H1 TIP3A 594 8.385 19.347 11.583 1.00 0.00 H -ATOM 1782 H2 TIP3A 594 9.553 18.483 12.006 1.00 0.00 H -ATOM 1783 O1 TIP3A 595 24.802 2.055 14.310 1.00 0.00 O -ATOM 1784 H1 TIP3A 595 25.099 1.378 14.917 1.00 0.00 H -ATOM 1785 H2 TIP3A 595 25.400 2.788 14.457 1.00 0.00 H -ATOM 1786 O1 TIP3A 596 7.689 1.870 8.893 1.00 0.00 O -ATOM 1787 H1 TIP3A 596 6.926 2.237 9.338 1.00 0.00 H -ATOM 1788 H2 TIP3A 596 8.222 2.631 8.660 1.00 0.00 H -ATOM 1789 O1 TIP3A 597 22.732 33.570 14.659 1.00 0.00 O -ATOM 1790 H1 TIP3A 597 23.206 33.964 13.927 1.00 0.00 H -ATOM 1791 H2 TIP3A 597 22.524 32.684 14.362 1.00 0.00 H -ATOM 1792 O1 TIP3A 598 10.501 16.755 29.967 1.00 0.00 O -ATOM 1793 H1 TIP3A 598 11.165 17.428 29.822 1.00 0.00 H -ATOM 1794 H2 TIP3A 598 9.676 17.238 30.015 1.00 0.00 H -ATOM 1795 O1 TIP3A 599 17.002 12.528 0.589 1.00 0.00 O -ATOM 1796 H1 TIP3A 599 16.858 13.187 1.267 1.00 0.00 H -ATOM 1797 H2 TIP3A 599 16.252 12.621 0.001 1.00 0.00 H -ATOM 1798 O1 TIP3A 600 29.666 8.262 1.358 1.00 0.00 O -ATOM 1799 H1 TIP3A 600 29.848 8.597 2.236 1.00 0.00 H -ATOM 1800 H2 TIP3A 600 29.147 8.951 0.941 1.00 0.00 H -ATOM 1801 O1 TIP3A 601 10.904 18.399 17.446 1.00 0.00 O -ATOM 1802 H1 TIP3A 601 11.226 17.983 16.647 1.00 0.00 H -ATOM 1803 H2 TIP3A 601 10.404 19.155 17.138 1.00 0.00 H -ATOM 1804 O1 TIP3A 602 34.077 6.163 29.194 1.00 0.00 O -ATOM 1805 H1 TIP3A 602 35.028 6.265 29.181 1.00 0.00 H -ATOM 1806 H2 TIP3A 602 33.928 5.269 28.884 1.00 0.00 H -ATOM 1807 O1 TIP3A 603 10.882 7.778 17.797 1.00 0.00 O -ATOM 1808 H1 TIP3A 603 11.787 7.762 18.109 1.00 0.00 H -ATOM 1809 H2 TIP3A 603 10.756 6.922 17.386 1.00 0.00 H -ATOM 1810 O1 TIP3A 604 21.357 19.136 17.198 1.00 0.00 O -ATOM 1811 H1 TIP3A 604 20.766 19.887 17.149 1.00 0.00 H -ATOM 1812 H2 TIP3A 604 21.532 18.907 16.285 1.00 0.00 H -ATOM 1813 O1 TIP3A 605 27.929 33.813 21.706 1.00 0.00 O -ATOM 1814 H1 TIP3A 605 27.168 33.627 21.158 1.00 0.00 H -ATOM 1815 H2 TIP3A 605 27.791 33.286 22.494 1.00 0.00 H -ATOM 1816 O1 TIP3A 606 21.370 18.455 27.906 1.00 0.00 O -ATOM 1817 H1 TIP3A 606 20.793 19.217 27.876 1.00 0.00 H -ATOM 1818 H2 TIP3A 606 20.781 17.705 27.812 1.00 0.00 H -ATOM 1819 O1 TIP3A 607 31.958 35.672 24.421 1.00 0.00 O -ATOM 1820 H1 TIP3A 607 32.232 36.587 24.376 1.00 0.00 H -ATOM 1821 H2 TIP3A 607 32.549 35.214 23.822 1.00 0.00 H -ATOM 1822 O1 TIP3A 608 24.126 35.314 7.628 1.00 0.00 O -ATOM 1823 H1 TIP3A 608 24.494 36.161 7.876 1.00 0.00 H -ATOM 1824 H2 TIP3A 608 24.853 34.698 7.729 1.00 0.00 H -ATOM 1825 O1 TIP3A 609 24.139 10.309 24.958 1.00 0.00 O -ATOM 1826 H1 TIP3A 609 24.453 11.210 24.891 1.00 0.00 H -ATOM 1827 H2 TIP3A 609 24.768 9.796 24.449 1.00 0.00 H -ATOM 1828 O1 TIP3A 610 4.602 15.757 32.202 1.00 0.00 O -ATOM 1829 H1 TIP3A 610 5.394 16.275 32.345 1.00 0.00 H -ATOM 1830 H2 TIP3A 610 4.904 14.985 31.721 1.00 0.00 H -ATOM 1831 O1 TIP3A 611 35.409 33.993 8.477 1.00 0.00 O -ATOM 1832 H1 TIP3A 611 36.251 34.448 8.493 1.00 0.00 H -ATOM 1833 H2 TIP3A 611 34.870 34.462 9.115 1.00 0.00 H -ATOM 1834 O1 TIP3A 612 13.274 8.859 20.101 1.00 0.00 O -ATOM 1835 H1 TIP3A 612 13.960 9.379 20.519 1.00 0.00 H -ATOM 1836 H2 TIP3A 612 13.724 8.391 19.397 1.00 0.00 H -ATOM 1837 O1 TIP3A 613 17.868 30.242 14.835 1.00 0.00 O -ATOM 1838 H1 TIP3A 613 17.225 29.602 14.533 1.00 0.00 H -ATOM 1839 H2 TIP3A 613 18.613 30.132 14.244 1.00 0.00 H -ATOM 1840 O1 TIP3A 614 7.339 22.185 7.351 1.00 0.00 O -ATOM 1841 H1 TIP3A 614 8.114 22.672 7.628 1.00 0.00 H -ATOM 1842 H2 TIP3A 614 6.614 22.800 7.468 1.00 0.00 H -ATOM 1843 O1 TIP3A 615 17.049 35.982 19.096 1.00 0.00 O -ATOM 1844 H1 TIP3A 615 17.757 35.852 18.466 1.00 0.00 H -ATOM 1845 H2 TIP3A 615 17.477 36.363 19.863 1.00 0.00 H -ATOM 1846 O1 TIP3A 616 3.521 5.382 12.585 1.00 0.00 O -ATOM 1847 H1 TIP3A 616 3.621 6.202 12.103 1.00 0.00 H -ATOM 1848 H2 TIP3A 616 3.339 5.653 13.486 1.00 0.00 H -ATOM 1849 O1 TIP3A 617 4.923 28.595 37.970 1.00 0.00 O -ATOM 1850 H1 TIP3A 617 5.712 29.004 38.325 1.00 0.00 H -ATOM 1851 H2 TIP3A 617 5.250 27.905 37.392 1.00 0.00 H -ATOM 1852 O1 TIP3A 618 38.399 26.187 15.726 1.00 0.00 O -ATOM 1853 H1 TIP3A 618 37.824 25.503 16.067 1.00 0.00 H -ATOM 1854 H2 TIP3A 618 38.046 27.000 16.089 1.00 0.00 H -ATOM 1855 O1 TIP3A 619 8.014 9.748 26.244 1.00 0.00 O -ATOM 1856 H1 TIP3A 619 8.089 10.574 26.720 1.00 0.00 H -ATOM 1857 H2 TIP3A 619 7.525 9.174 26.836 1.00 0.00 H -ATOM 1858 O1 TIP3A 620 2.676 31.753 11.768 1.00 0.00 O -ATOM 1859 H1 TIP3A 620 3.473 31.635 11.253 1.00 0.00 H -ATOM 1860 H2 TIP3A 620 2.565 32.702 11.826 1.00 0.00 H -ATOM 1861 O1 TIP3A 621 12.464 15.414 13.909 1.00 0.00 O -ATOM 1862 H1 TIP3A 621 13.014 15.390 14.691 1.00 0.00 H -ATOM 1863 H2 TIP3A 621 11.795 14.747 14.064 1.00 0.00 H -ATOM 1864 O1 TIP3A 622 26.465 35.882 14.329 1.00 0.00 O -ATOM 1865 H1 TIP3A 622 26.871 35.043 14.114 1.00 0.00 H -ATOM 1866 H2 TIP3A 622 25.825 36.025 13.631 1.00 0.00 H -ATOM 1867 O1 TIP3A 623 6.356 33.936 4.156 1.00 0.00 O -ATOM 1868 H1 TIP3A 623 6.136 34.773 3.749 1.00 0.00 H -ATOM 1869 H2 TIP3A 623 6.990 33.538 3.558 1.00 0.00 H -ATOM 1870 O1 TIP3A 624 12.221 38.284 27.583 1.00 0.00 O -ATOM 1871 H1 TIP3A 624 11.684 38.400 28.366 1.00 0.00 H -ATOM 1872 H2 TIP3A 624 12.749 37.506 27.768 1.00 0.00 H -ATOM 1873 O1 TIP3A 625 35.630 21.521 36.542 1.00 0.00 O -ATOM 1874 H1 TIP3A 625 34.828 21.553 36.022 1.00 0.00 H -ATOM 1875 H2 TIP3A 625 36.185 22.207 36.171 1.00 0.00 H -ATOM 1876 O1 TIP3A 626 27.339 29.007 4.576 1.00 0.00 O -ATOM 1877 H1 TIP3A 626 27.114 28.077 4.593 1.00 0.00 H -ATOM 1878 H2 TIP3A 626 26.750 29.384 3.922 1.00 0.00 H -ATOM 1879 O1 TIP3A 627 0.827 4.161 36.030 1.00 0.00 O -ATOM 1880 H1 TIP3A 627 1.281 3.980 35.207 1.00 0.00 H -ATOM 1881 H2 TIP3A 627 -0.000 4.564 35.765 1.00 0.00 H -ATOM 1882 O1 TIP3A 628 37.729 1.555 18.968 1.00 0.00 O -ATOM 1883 H1 TIP3A 628 37.843 0.894 19.650 1.00 0.00 H -ATOM 1884 H2 TIP3A 628 38.077 2.360 19.352 1.00 0.00 H -ATOM 1885 O1 TIP3A 629 2.976 36.809 24.843 1.00 0.00 O -ATOM 1886 H1 TIP3A 629 2.341 37.518 24.753 1.00 0.00 H -ATOM 1887 H2 TIP3A 629 2.766 36.207 24.128 1.00 0.00 H -ATOM 1888 O1 TIP3A 630 26.211 19.832 37.673 1.00 0.00 O -ATOM 1889 H1 TIP3A 630 26.100 19.269 36.908 1.00 0.00 H -ATOM 1890 H2 TIP3A 630 27.114 20.144 37.614 1.00 0.00 H -ATOM 1891 O1 TIP3A 631 10.502 22.342 3.310 1.00 0.00 O -ATOM 1892 H1 TIP3A 631 11.039 21.554 3.244 1.00 0.00 H -ATOM 1893 H2 TIP3A 631 9.767 22.087 3.868 1.00 0.00 H -ATOM 1894 O1 TIP3A 632 18.749 37.807 18.520 1.00 0.00 O -ATOM 1895 H1 TIP3A 632 19.481 38.399 18.690 1.00 0.00 H -ATOM 1896 H2 TIP3A 632 17.985 38.261 18.876 1.00 0.00 H -ATOM 1897 O1 TIP3A 633 4.232 21.695 9.498 1.00 0.00 O -ATOM 1898 H1 TIP3A 633 3.705 21.345 10.216 1.00 0.00 H -ATOM 1899 H2 TIP3A 633 5.091 21.860 9.889 1.00 0.00 H -ATOM 1900 O1 TIP3A 634 37.386 32.744 20.208 1.00 0.00 O -ATOM 1901 H1 TIP3A 634 37.417 33.619 20.594 1.00 0.00 H -ATOM 1902 H2 TIP3A 634 36.800 32.249 20.781 1.00 0.00 H -ATOM 1903 O1 TIP3A 635 24.301 0.890 11.214 1.00 0.00 O -ATOM 1904 H1 TIP3A 635 23.631 0.295 10.878 1.00 0.00 H -ATOM 1905 H2 TIP3A 635 24.090 1.737 10.819 1.00 0.00 H -ATOM 1906 O1 TIP3A 636 15.909 7.856 33.211 1.00 0.00 O -ATOM 1907 H1 TIP3A 636 16.427 7.053 33.252 1.00 0.00 H -ATOM 1908 H2 TIP3A 636 16.441 8.459 32.690 1.00 0.00 H -ATOM 1909 O1 TIP3A 637 8.496 29.703 12.316 1.00 0.00 O -ATOM 1910 H1 TIP3A 637 9.154 29.046 12.542 1.00 0.00 H -ATOM 1911 H2 TIP3A 637 8.817 30.094 11.503 1.00 0.00 H -ATOM 1912 O1 TIP3A 638 19.011 17.336 36.590 1.00 0.00 O -ATOM 1913 H1 TIP3A 638 19.322 16.498 36.250 1.00 0.00 H -ATOM 1914 H2 TIP3A 638 19.339 17.367 37.489 1.00 0.00 H -ATOM 1915 O1 TIP3A 639 13.392 19.511 18.505 1.00 0.00 O -ATOM 1916 H1 TIP3A 639 12.603 19.012 18.712 1.00 0.00 H -ATOM 1917 H2 TIP3A 639 14.113 18.949 18.790 1.00 0.00 H -ATOM 1918 O1 TIP3A 640 5.487 18.170 4.444 1.00 0.00 O -ATOM 1919 H1 TIP3A 640 5.176 18.933 4.929 1.00 0.00 H -ATOM 1920 H2 TIP3A 640 5.235 18.343 3.537 1.00 0.00 H -ATOM 1921 O1 TIP3A 641 33.470 14.024 34.247 1.00 0.00 O -ATOM 1922 H1 TIP3A 641 33.367 13.126 34.558 1.00 0.00 H -ATOM 1923 H2 TIP3A 641 34.413 14.123 34.108 1.00 0.00 H -ATOM 1924 O1 TIP3A 642 7.238 34.534 1.612 1.00 0.00 O -ATOM 1925 H1 TIP3A 642 7.944 34.926 1.098 1.00 0.00 H -ATOM 1926 H2 TIP3A 642 7.216 33.619 1.330 1.00 0.00 H -ATOM 1927 O1 TIP3A 643 3.685 2.491 35.096 1.00 0.00 O -ATOM 1928 H1 TIP3A 643 3.013 2.623 35.763 1.00 0.00 H -ATOM 1929 H2 TIP3A 643 4.030 1.615 35.272 1.00 0.00 H -ATOM 1930 O1 TIP3A 644 33.187 8.807 3.157 1.00 0.00 O -ATOM 1931 H1 TIP3A 644 32.277 8.809 2.862 1.00 0.00 H -ATOM 1932 H2 TIP3A 644 33.536 9.650 2.865 1.00 0.00 H -ATOM 1933 O1 TIP3A 645 2.401 35.279 37.583 1.00 0.00 O -ATOM 1934 H1 TIP3A 645 1.958 34.786 36.893 1.00 0.00 H -ATOM 1935 H2 TIP3A 645 1.750 35.352 38.281 1.00 0.00 H -ATOM 1936 O1 TIP3A 646 0.458 29.110 34.368 1.00 0.00 O -ATOM 1937 H1 TIP3A 646 1.127 29.279 33.706 1.00 0.00 H -ATOM 1938 H2 TIP3A 646 0.114 29.976 34.590 1.00 0.00 H -ATOM 1939 O1 TIP3A 647 11.636 6.539 31.000 1.00 0.00 O -ATOM 1940 H1 TIP3A 647 11.174 5.702 31.025 1.00 0.00 H -ATOM 1941 H2 TIP3A 647 12.509 6.342 31.342 1.00 0.00 H -ATOM 1942 O1 TIP3A 648 28.877 20.434 30.496 1.00 0.00 O -ATOM 1943 H1 TIP3A 648 28.282 20.035 31.130 1.00 0.00 H -ATOM 1944 H2 TIP3A 648 29.321 21.127 30.987 1.00 0.00 H -ATOM 1945 O1 TIP3A 649 24.457 28.158 21.959 1.00 0.00 O -ATOM 1946 H1 TIP3A 649 24.546 27.721 22.805 1.00 0.00 H -ATOM 1947 H2 TIP3A 649 24.523 29.092 22.162 1.00 0.00 H -ATOM 1948 O1 TIP3A 650 7.628 33.231 8.330 1.00 0.00 O -ATOM 1949 H1 TIP3A 650 7.444 33.681 9.153 1.00 0.00 H -ATOM 1950 H2 TIP3A 650 7.492 33.897 7.656 1.00 0.00 H -ATOM 1951 O1 TIP3A 651 7.235 36.709 28.147 1.00 0.00 O -ATOM 1952 H1 TIP3A 651 6.418 36.213 28.192 1.00 0.00 H -ATOM 1953 H2 TIP3A 651 7.090 37.350 27.451 1.00 0.00 H -ATOM 1954 O1 TIP3A 652 34.711 33.350 0.490 1.00 0.00 O -ATOM 1955 H1 TIP3A 652 34.594 32.402 0.435 1.00 0.00 H -ATOM 1956 H2 TIP3A 652 35.648 33.468 0.647 1.00 0.00 H -ATOM 1957 O1 TIP3A 653 22.276 27.800 35.083 1.00 0.00 O -ATOM 1958 H1 TIP3A 653 22.828 28.504 34.744 1.00 0.00 H -ATOM 1959 H2 TIP3A 653 22.128 28.030 36.000 1.00 0.00 H -ATOM 1960 O1 TIP3A 654 0.524 23.783 21.809 1.00 0.00 O -ATOM 1961 H1 TIP3A 654 0.241 24.696 21.847 1.00 0.00 H -ATOM 1962 H2 TIP3A 654 1.210 23.771 21.141 1.00 0.00 H -ATOM 1963 O1 TIP3A 655 21.323 32.297 2.928 1.00 0.00 O -ATOM 1964 H1 TIP3A 655 21.787 33.125 3.053 1.00 0.00 H -ATOM 1965 H2 TIP3A 655 21.192 31.959 3.814 1.00 0.00 H -ATOM 1966 O1 TIP3A 656 2.268 24.445 17.210 1.00 0.00 O -ATOM 1967 H1 TIP3A 656 1.804 24.446 16.373 1.00 0.00 H -ATOM 1968 H2 TIP3A 656 2.947 25.112 17.109 1.00 0.00 H -ATOM 1969 O1 TIP3A 657 14.447 11.925 34.179 1.00 0.00 O -ATOM 1970 H1 TIP3A 657 13.512 11.967 34.379 1.00 0.00 H -ATOM 1971 H2 TIP3A 657 14.622 12.724 33.682 1.00 0.00 H -ATOM 1972 O1 TIP3A 658 16.584 0.002 8.571 1.00 0.00 O -ATOM 1973 H1 TIP3A 658 16.877 0.000 7.660 1.00 0.00 H -ATOM 1974 H2 TIP3A 658 17.391 0.074 9.082 1.00 0.00 H -ATOM 1975 O1 TIP3A 659 6.933 30.030 8.929 1.00 0.00 O -ATOM 1976 H1 TIP3A 659 6.768 30.604 9.676 1.00 0.00 H -ATOM 1977 H2 TIP3A 659 7.438 29.302 9.292 1.00 0.00 H -ATOM 1978 O1 TIP3A 660 27.372 19.211 34.624 1.00 0.00 O -ATOM 1979 H1 TIP3A 660 27.057 20.070 34.904 1.00 0.00 H -ATOM 1980 H2 TIP3A 660 27.972 19.399 33.902 1.00 0.00 H -ATOM 1981 O1 TIP3A 661 15.278 17.161 20.493 1.00 0.00 O -ATOM 1982 H1 TIP3A 661 15.618 17.029 21.377 1.00 0.00 H -ATOM 1983 H2 TIP3A 661 15.454 18.084 20.304 1.00 0.00 H -ATOM 1984 O1 TIP3A 662 26.298 27.984 36.602 1.00 0.00 O -ATOM 1985 H1 TIP3A 662 27.246 28.109 36.568 1.00 0.00 H -ATOM 1986 H2 TIP3A 662 25.943 28.869 36.698 1.00 0.00 H -ATOM 1987 O1 TIP3A 663 15.185 28.109 26.207 1.00 0.00 O -ATOM 1988 H1 TIP3A 663 14.964 28.883 25.691 1.00 0.00 H -ATOM 1989 H2 TIP3A 663 14.625 27.417 25.853 1.00 0.00 H -ATOM 1990 O1 TIP3A 664 37.353 11.527 12.859 1.00 0.00 O -ATOM 1991 H1 TIP3A 664 36.851 12.240 13.252 1.00 0.00 H -ATOM 1992 H2 TIP3A 664 36.788 10.758 12.946 1.00 0.00 H -ATOM 1993 O1 TIP3A 665 23.923 10.857 36.736 1.00 0.00 O -ATOM 1994 H1 TIP3A 665 22.995 10.706 36.557 1.00 0.00 H -ATOM 1995 H2 TIP3A 665 24.196 11.493 36.074 1.00 0.00 H -ATOM 1996 O1 TIP3A 666 37.191 28.676 23.269 1.00 0.00 O -ATOM 1997 H1 TIP3A 666 37.360 29.458 22.745 1.00 0.00 H -ATOM 1998 H2 TIP3A 666 36.433 28.908 23.808 1.00 0.00 H -ATOM 1999 O1 TIP3A 667 34.553 12.753 16.763 1.00 0.00 O -ATOM 2000 H1 TIP3A 667 33.914 12.193 17.201 1.00 0.00 H -ATOM 2001 H2 TIP3A 667 34.119 13.604 16.692 1.00 0.00 H -ATOM 2002 O1 TIP3A 668 18.286 14.459 38.134 1.00 0.00 O -ATOM 2003 H1 TIP3A 668 18.651 15.331 37.990 1.00 0.00 H -ATOM 2004 H2 TIP3A 668 17.457 14.463 37.654 1.00 0.00 H -ATOM 2005 O1 TIP3A 669 12.074 15.622 3.421 1.00 0.00 O -ATOM 2006 H1 TIP3A 669 12.407 16.387 3.887 1.00 0.00 H -ATOM 2007 H2 TIP3A 669 12.179 15.841 2.494 1.00 0.00 H -ATOM 2008 O1 TIP3A 670 35.140 23.723 1.162 1.00 0.00 O -ATOM 2009 H1 TIP3A 670 35.505 24.192 0.413 1.00 0.00 H -ATOM 2010 H2 TIP3A 670 34.626 24.381 1.630 1.00 0.00 H -ATOM 2011 O1 TIP3A 671 24.653 13.537 23.760 1.00 0.00 O -ATOM 2012 H1 TIP3A 671 25.561 13.838 23.787 1.00 0.00 H -ATOM 2013 H2 TIP3A 671 24.154 14.242 24.173 1.00 0.00 H -ATOM 2014 O1 TIP3A 672 31.842 0.558 17.150 1.00 0.00 O -ATOM 2015 H1 TIP3A 672 31.538 0.050 17.901 1.00 0.00 H -ATOM 2016 H2 TIP3A 672 32.501 0.001 16.734 1.00 0.00 H -ATOM 2017 O1 TIP3A 673 15.586 5.886 0.326 1.00 0.00 O -ATOM 2018 H1 TIP3A 673 15.671 5.758 1.270 1.00 0.00 H -ATOM 2019 H2 TIP3A 673 15.243 5.054 0.000 1.00 0.00 H -ATOM 2020 O1 TIP3A 674 25.054 17.163 33.908 1.00 0.00 O -ATOM 2021 H1 TIP3A 674 25.191 16.392 34.457 1.00 0.00 H -ATOM 2022 H2 TIP3A 674 25.936 17.489 33.727 1.00 0.00 H -ATOM 2023 O1 TIP3A 675 28.611 26.398 15.738 1.00 0.00 O -ATOM 2024 H1 TIP3A 675 28.225 26.117 14.909 1.00 0.00 H -ATOM 2025 H2 TIP3A 675 29.537 26.167 15.663 1.00 0.00 H -ATOM 2026 O1 TIP3A 676 38.047 8.863 32.575 1.00 0.00 O -ATOM 2027 H1 TIP3A 676 38.400 8.027 32.273 1.00 0.00 H -ATOM 2028 H2 TIP3A 676 37.372 8.623 33.211 1.00 0.00 H -ATOM 2029 O1 TIP3A 677 35.057 33.074 33.245 1.00 0.00 O -ATOM 2030 H1 TIP3A 677 34.530 32.282 33.342 1.00 0.00 H -ATOM 2031 H2 TIP3A 677 35.835 32.787 32.765 1.00 0.00 H -ATOM 2032 O1 TIP3A 678 24.791 13.068 13.333 1.00 0.00 O -ATOM 2033 H1 TIP3A 678 25.443 13.758 13.452 1.00 0.00 H -ATOM 2034 H2 TIP3A 678 24.107 13.272 13.972 1.00 0.00 H -ATOM 2035 O1 TIP3A 679 20.333 8.907 9.292 1.00 0.00 O -ATOM 2036 H1 TIP3A 679 20.089 8.003 9.095 1.00 0.00 H -ATOM 2037 H2 TIP3A 679 20.413 9.326 8.434 1.00 0.00 H -ATOM 2038 O1 TIP3A 680 1.161 1.096 29.000 1.00 0.00 O -ATOM 2039 H1 TIP3A 680 1.100 1.931 28.537 1.00 0.00 H -ATOM 2040 H2 TIP3A 680 0.889 1.298 29.895 1.00 0.00 H -ATOM 2041 O1 TIP3A 681 22.717 30.511 6.959 1.00 0.00 O -ATOM 2042 H1 TIP3A 681 22.025 29.907 6.693 1.00 0.00 H -ATOM 2043 H2 TIP3A 681 22.269 31.346 7.093 1.00 0.00 H -ATOM 2044 O1 TIP3A 682 28.759 26.724 28.039 1.00 0.00 O -ATOM 2045 H1 TIP3A 682 28.351 27.586 28.119 1.00 0.00 H -ATOM 2046 H2 TIP3A 682 28.496 26.260 28.834 1.00 0.00 H -ATOM 2047 O1 TIP3A 683 11.811 31.232 10.689 1.00 0.00 O -ATOM 2048 H1 TIP3A 683 12.603 30.775 10.969 1.00 0.00 H -ATOM 2049 H2 TIP3A 683 11.945 32.138 10.967 1.00 0.00 H -ATOM 2050 O1 TIP3A 684 16.392 9.065 10.391 1.00 0.00 O -ATOM 2051 H1 TIP3A 684 15.454 9.157 10.231 1.00 0.00 H -ATOM 2052 H2 TIP3A 684 16.790 9.794 9.913 1.00 0.00 H -ATOM 2053 O1 TIP3A 685 25.437 38.016 15.718 1.00 0.00 O -ATOM 2054 H1 TIP3A 685 25.584 37.096 15.937 1.00 0.00 H -ATOM 2055 H2 TIP3A 685 26.314 38.399 15.688 1.00 0.00 H -ATOM 2056 O1 TIP3A 686 7.410 8.494 32.947 1.00 0.00 O -ATOM 2057 H1 TIP3A 686 8.211 8.824 32.541 1.00 0.00 H -ATOM 2058 H2 TIP3A 686 6.754 9.169 32.767 1.00 0.00 H -ATOM 2059 O1 TIP3A 687 12.789 22.871 19.390 1.00 0.00 O -ATOM 2060 H1 TIP3A 687 12.912 22.653 20.314 1.00 0.00 H -ATOM 2061 H2 TIP3A 687 12.620 22.030 18.965 1.00 0.00 H -ATOM 2062 O1 TIP3A 688 19.259 17.503 25.524 1.00 0.00 O -ATOM 2063 H1 TIP3A 688 20.097 17.135 25.801 1.00 0.00 H -ATOM 2064 H2 TIP3A 688 19.192 18.333 25.998 1.00 0.00 H -ATOM 2065 O1 TIP3A 689 1.836 9.478 27.585 1.00 0.00 O -ATOM 2066 H1 TIP3A 689 1.241 8.732 27.644 1.00 0.00 H -ATOM 2067 H2 TIP3A 689 2.524 9.191 26.984 1.00 0.00 H -ATOM 2068 O1 TIP3A 690 8.734 29.234 6.102 1.00 0.00 O -ATOM 2069 H1 TIP3A 690 9.265 30.016 5.955 1.00 0.00 H -ATOM 2070 H2 TIP3A 690 8.888 28.690 5.330 1.00 0.00 H -ATOM 2071 O1 TIP3A 691 37.705 15.631 24.133 1.00 0.00 O -ATOM 2072 H1 TIP3A 691 36.942 15.283 23.673 1.00 0.00 H -ATOM 2073 H2 TIP3A 691 38.400 15.641 23.474 1.00 0.00 H -ATOM 2074 O1 TIP3A 692 0.281 15.139 20.609 1.00 0.00 O -ATOM 2075 H1 TIP3A 692 1.011 15.394 21.172 1.00 0.00 H -ATOM 2076 H2 TIP3A 692 0.656 14.495 20.007 1.00 0.00 H -ATOM 2077 O1 TIP3A 693 10.800 19.203 34.766 1.00 0.00 O -ATOM 2078 H1 TIP3A 693 10.045 19.737 35.011 1.00 0.00 H -ATOM 2079 H2 TIP3A 693 10.997 18.691 35.551 1.00 0.00 H -ATOM 2080 O1 TIP3A 694 11.111 26.911 18.858 1.00 0.00 O -ATOM 2081 H1 TIP3A 694 10.483 27.561 18.543 1.00 0.00 H -ATOM 2082 H2 TIP3A 694 11.446 27.278 19.676 1.00 0.00 H -ATOM 2083 O1 TIP3A 695 11.610 18.302 21.726 1.00 0.00 O -ATOM 2084 H1 TIP3A 695 11.529 19.225 21.961 1.00 0.00 H -ATOM 2085 H2 TIP3A 695 11.114 18.216 20.911 1.00 0.00 H -ATOM 2086 O1 TIP3A 696 3.980 30.657 8.655 1.00 0.00 O -ATOM 2087 H1 TIP3A 696 3.238 30.757 9.250 1.00 0.00 H -ATOM 2088 H2 TIP3A 696 4.632 31.279 8.978 1.00 0.00 H -ATOM 2089 O1 TIP3A 697 24.659 15.453 16.739 1.00 0.00 O -ATOM 2090 H1 TIP3A 697 23.776 15.415 16.374 1.00 0.00 H -ATOM 2091 H2 TIP3A 697 24.568 15.105 17.627 1.00 0.00 H -ATOM 2092 O1 TIP3A 698 10.039 15.660 7.894 1.00 0.00 O -ATOM 2093 H1 TIP3A 698 10.054 16.607 7.764 1.00 0.00 H -ATOM 2094 H2 TIP3A 698 9.530 15.536 8.696 1.00 0.00 H -ATOM 2095 O1 TIP3A 699 37.240 34.345 17.310 1.00 0.00 O -ATOM 2096 H1 TIP3A 699 36.757 35.166 17.219 1.00 0.00 H -ATOM 2097 H2 TIP3A 699 36.748 33.848 17.963 1.00 0.00 H -ATOM 2098 O1 TIP3A 700 2.276 28.026 28.066 1.00 0.00 O -ATOM 2099 H1 TIP3A 700 1.880 28.643 27.451 1.00 0.00 H -ATOM 2100 H2 TIP3A 700 2.597 27.311 27.516 1.00 0.00 H -ATOM 2101 O1 TIP3A 701 23.704 35.968 16.087 1.00 0.00 O -ATOM 2102 H1 TIP3A 701 23.388 36.870 16.128 1.00 0.00 H -ATOM 2103 H2 TIP3A 701 23.161 35.495 16.719 1.00 0.00 H -ATOM 2104 O1 TIP3A 702 17.646 37.251 27.414 1.00 0.00 O -ATOM 2105 H1 TIP3A 702 18.164 36.649 26.882 1.00 0.00 H -ATOM 2106 H2 TIP3A 702 16.755 36.903 27.372 1.00 0.00 H -ATOM 2107 O1 TIP3A 703 0.271 0.097 14.021 1.00 0.00 O -ATOM 2108 H1 TIP3A 703 1.223 0.043 14.099 1.00 0.00 H -ATOM 2109 H2 TIP3A 703 0.012 0.743 14.678 1.00 0.00 H -ATOM 2110 O1 TIP3A 704 6.911 14.430 16.181 1.00 0.00 O -ATOM 2111 H1 TIP3A 704 7.132 15.265 16.592 1.00 0.00 H -ATOM 2112 H2 TIP3A 704 6.154 14.113 16.675 1.00 0.00 H -ATOM 2113 O1 TIP3A 705 34.425 26.109 21.318 1.00 0.00 O -ATOM 2114 H1 TIP3A 705 35.124 25.580 21.701 1.00 0.00 H -ATOM 2115 H2 TIP3A 705 33.810 25.470 20.959 1.00 0.00 H -ATOM 2116 O1 TIP3A 706 16.669 22.711 9.055 1.00 0.00 O -ATOM 2117 H1 TIP3A 706 16.218 23.180 9.756 1.00 0.00 H -ATOM 2118 H2 TIP3A 706 17.301 23.343 8.712 1.00 0.00 H -ATOM 2119 O1 TIP3A 707 17.665 32.033 27.217 1.00 0.00 O -ATOM 2120 H1 TIP3A 707 16.994 32.534 27.679 1.00 0.00 H -ATOM 2121 H2 TIP3A 707 17.193 31.594 26.509 1.00 0.00 H -ATOM 2122 O1 TIP3A 708 10.841 8.450 19.986 1.00 0.00 O -ATOM 2123 H1 TIP3A 708 10.154 8.938 19.534 1.00 0.00 H -ATOM 2124 H2 TIP3A 708 11.005 8.950 20.786 1.00 0.00 H -ATOM 2125 O1 TIP3A 709 17.123 25.055 6.794 1.00 0.00 O -ATOM 2126 H1 TIP3A 709 16.363 24.659 7.219 1.00 0.00 H -ATOM 2127 H2 TIP3A 709 17.786 25.103 7.483 1.00 0.00 H -ATOM 2128 O1 TIP3A 710 8.315 17.713 35.923 1.00 0.00 O -ATOM 2129 H1 TIP3A 710 8.300 18.661 35.793 1.00 0.00 H -ATOM 2130 H2 TIP3A 710 7.888 17.580 36.769 1.00 0.00 H -ATOM 2131 O1 TIP3A 711 28.647 22.511 0.970 1.00 0.00 O -ATOM 2132 H1 TIP3A 711 29.311 21.825 0.909 1.00 0.00 H -ATOM 2133 H2 TIP3A 711 28.533 22.652 1.910 1.00 0.00 H -ATOM 2134 O1 TIP3A 712 14.080 5.889 14.498 1.00 0.00 O -ATOM 2135 H1 TIP3A 712 14.736 5.195 14.546 1.00 0.00 H -ATOM 2136 H2 TIP3A 712 14.368 6.536 15.143 1.00 0.00 H -ATOM 2137 O1 TIP3A 713 16.657 0.862 21.515 1.00 0.00 O -ATOM 2138 H1 TIP3A 713 16.920 1.592 22.074 1.00 0.00 H -ATOM 2139 H2 TIP3A 713 17.482 0.454 21.248 1.00 0.00 H -ATOM 2140 O1 TIP3A 714 7.253 3.882 21.930 1.00 0.00 O -ATOM 2141 H1 TIP3A 714 6.342 4.175 21.922 1.00 0.00 H -ATOM 2142 H2 TIP3A 714 7.708 4.496 21.354 1.00 0.00 H -ATOM 2143 O1 TIP3A 715 3.612 2.669 28.936 1.00 0.00 O -ATOM 2144 H1 TIP3A 715 3.937 3.538 29.171 1.00 0.00 H -ATOM 2145 H2 TIP3A 715 4.332 2.267 28.449 1.00 0.00 H -ATOM 2146 O1 TIP3A 716 0.917 31.215 27.443 1.00 0.00 O -ATOM 2147 H1 TIP3A 716 0.000 31.447 27.584 1.00 0.00 H -ATOM 2148 H2 TIP3A 716 1.015 31.194 26.490 1.00 0.00 H -ATOM 2149 O1 TIP3A 717 22.182 17.413 32.009 1.00 0.00 O -ATOM 2150 H1 TIP3A 717 21.720 16.636 32.321 1.00 0.00 H -ATOM 2151 H2 TIP3A 717 22.332 17.936 32.797 1.00 0.00 H -ATOM 2152 O1 TIP3A 718 15.837 26.557 24.044 1.00 0.00 O -ATOM 2153 H1 TIP3A 718 15.170 27.170 23.736 1.00 0.00 H -ATOM 2154 H2 TIP3A 718 15.350 25.761 24.261 1.00 0.00 H -ATOM 2155 O1 TIP3A 719 16.379 1.587 11.123 1.00 0.00 O -ATOM 2156 H1 TIP3A 719 17.038 1.834 10.476 1.00 0.00 H -ATOM 2157 H2 TIP3A 719 16.294 2.357 11.686 1.00 0.00 H -ATOM 2158 O1 TIP3A 720 2.655 24.007 8.039 1.00 0.00 O -ATOM 2159 H1 TIP3A 720 3.447 23.799 7.546 1.00 0.00 H -ATOM 2160 H2 TIP3A 720 2.033 24.312 7.377 1.00 0.00 H -ATOM 2161 O1 TIP3A 721 27.441 0.325 4.834 1.00 0.00 O -ATOM 2162 H1 TIP3A 721 26.850 0.985 4.472 1.00 0.00 H -ATOM 2163 H2 TIP3A 721 27.967 0.801 5.478 1.00 0.00 H -ATOM 2164 O1 TIP3A 722 27.548 2.274 27.750 1.00 0.00 O -ATOM 2165 H1 TIP3A 722 27.448 2.768 26.937 1.00 0.00 H -ATOM 2166 H2 TIP3A 722 28.313 2.662 28.174 1.00 0.00 H -ATOM 2167 O1 TIP3A 723 17.907 31.376 36.160 1.00 0.00 O -ATOM 2168 H1 TIP3A 723 17.105 31.539 35.665 1.00 0.00 H -ATOM 2169 H2 TIP3A 723 17.872 30.443 36.372 1.00 0.00 H -ATOM 2170 O1 TIP3A 724 0.281 3.288 15.921 1.00 0.00 O -ATOM 2171 H1 TIP3A 724 0.812 3.082 15.152 1.00 0.00 H -ATOM 2172 H2 TIP3A 724 0.291 2.484 16.441 1.00 0.00 H -ATOM 2173 O1 TIP3A 725 10.495 3.616 37.035 1.00 0.00 O -ATOM 2174 H1 TIP3A 725 9.980 4.006 37.741 1.00 0.00 H -ATOM 2175 H2 TIP3A 725 10.279 2.683 37.067 1.00 0.00 H -ATOM 2176 O1 TIP3A 726 35.603 11.280 34.129 1.00 0.00 O -ATOM 2177 H1 TIP3A 726 36.461 11.690 34.234 1.00 0.00 H -ATOM 2178 H2 TIP3A 726 35.182 11.779 33.428 1.00 0.00 H -ATOM 2179 O1 TIP3A 727 36.742 7.383 8.828 1.00 0.00 O -ATOM 2180 H1 TIP3A 727 36.058 6.727 8.962 1.00 0.00 H -ATOM 2181 H2 TIP3A 727 37.554 6.937 9.070 1.00 0.00 H -ATOM 2182 O1 TIP3A 728 20.449 4.778 38.250 1.00 0.00 O -ATOM 2183 H1 TIP3A 728 20.914 5.610 38.338 1.00 0.00 H -ATOM 2184 H2 TIP3A 728 20.925 4.308 37.565 1.00 0.00 H -ATOM 2185 O1 TIP3A 729 26.407 21.083 16.072 1.00 0.00 O -ATOM 2186 H1 TIP3A 729 25.837 20.575 15.495 1.00 0.00 H -ATOM 2187 H2 TIP3A 729 25.912 21.163 16.888 1.00 0.00 H -ATOM 2188 O1 TIP3A 730 31.818 26.454 2.594 1.00 0.00 O -ATOM 2189 H1 TIP3A 730 31.814 26.324 1.646 1.00 0.00 H -ATOM 2190 H2 TIP3A 730 31.055 27.006 2.764 1.00 0.00 H -ATOM 2191 O1 TIP3A 731 29.627 22.364 23.063 1.00 0.00 O -ATOM 2192 H1 TIP3A 731 30.314 22.977 22.802 1.00 0.00 H -ATOM 2193 H2 TIP3A 731 29.882 21.532 22.663 1.00 0.00 H -ATOM 2194 O1 TIP3A 732 32.719 14.377 3.661 1.00 0.00 O -ATOM 2195 H1 TIP3A 732 33.378 13.759 3.346 1.00 0.00 H -ATOM 2196 H2 TIP3A 732 33.153 14.847 4.374 1.00 0.00 H -ATOM 2197 O1 TIP3A 733 14.988 24.244 17.612 1.00 0.00 O -ATOM 2198 H1 TIP3A 733 15.026 23.596 16.909 1.00 0.00 H -ATOM 2199 H2 TIP3A 733 14.389 23.865 18.256 1.00 0.00 H -ATOM 2200 O1 TIP3A 734 29.100 5.075 25.777 1.00 0.00 O -ATOM 2201 H1 TIP3A 734 29.398 4.213 26.065 1.00 0.00 H -ATOM 2202 H2 TIP3A 734 28.516 4.894 25.041 1.00 0.00 H -ATOM 2203 O1 TIP3A 735 34.886 4.416 14.660 1.00 0.00 O -ATOM 2204 H1 TIP3A 735 34.518 5.286 14.813 1.00 0.00 H -ATOM 2205 H2 TIP3A 735 35.823 4.570 14.534 1.00 0.00 H -ATOM 2206 O1 TIP3A 736 30.504 12.260 27.731 1.00 0.00 O -ATOM 2207 H1 TIP3A 736 30.195 11.591 27.121 1.00 0.00 H -ATOM 2208 H2 TIP3A 736 31.006 12.868 27.187 1.00 0.00 H -ATOM 2209 O1 TIP3A 737 0.353 18.727 38.324 1.00 0.00 O -ATOM 2210 H1 TIP3A 737 0.533 19.403 37.670 1.00 0.00 H -ATOM 2211 H2 TIP3A 737 1.176 18.242 38.400 1.00 0.00 H -ATOM 2212 O1 TIP3A 738 6.452 26.295 22.931 1.00 0.00 O -ATOM 2213 H1 TIP3A 738 5.695 25.745 22.731 1.00 0.00 H -ATOM 2214 H2 TIP3A 738 6.830 25.905 23.720 1.00 0.00 H -ATOM 2215 O1 TIP3A 739 29.207 6.252 27.634 1.00 0.00 O -ATOM 2216 H1 TIP3A 739 30.121 6.000 27.759 1.00 0.00 H -ATOM 2217 H2 TIP3A 739 29.007 6.811 28.385 1.00 0.00 H -ATOM 2218 O1 TIP3A 740 38.145 23.047 17.690 1.00 0.00 O -ATOM 2219 H1 TIP3A 740 37.214 23.236 17.807 1.00 0.00 H -ATOM 2220 H2 TIP3A 740 38.399 23.560 16.922 1.00 0.00 H -ATOM 2221 O1 TIP3A 741 29.997 2.036 34.680 1.00 0.00 O -ATOM 2222 H1 TIP3A 741 29.910 1.223 34.184 1.00 0.00 H -ATOM 2223 H2 TIP3A 741 30.939 2.131 34.824 1.00 0.00 H -ATOM 2224 O1 TIP3A 742 28.142 27.240 2.278 1.00 0.00 O -ATOM 2225 H1 TIP3A 742 27.486 27.930 2.374 1.00 0.00 H -ATOM 2226 H2 TIP3A 742 28.453 27.329 1.377 1.00 0.00 H -ATOM 2227 O1 TIP3A 743 15.524 35.037 12.677 1.00 0.00 O -ATOM 2228 H1 TIP3A 743 14.970 34.257 12.690 1.00 0.00 H -ATOM 2229 H2 TIP3A 743 15.102 35.622 12.047 1.00 0.00 H -ATOM 2230 O1 TIP3A 744 4.784 7.290 16.657 1.00 0.00 O -ATOM 2231 H1 TIP3A 744 4.719 7.181 15.709 1.00 0.00 H -ATOM 2232 H2 TIP3A 744 4.664 8.230 16.799 1.00 0.00 H -ATOM 2233 O1 TIP3A 745 27.343 11.711 33.779 1.00 0.00 O -ATOM 2234 H1 TIP3A 745 27.707 12.010 34.611 1.00 0.00 H -ATOM 2235 H2 TIP3A 745 26.412 11.575 33.959 1.00 0.00 H -ATOM 2236 O1 TIP3A 746 14.196 32.393 21.724 1.00 0.00 O -ATOM 2237 H1 TIP3A 746 14.224 32.116 22.639 1.00 0.00 H -ATOM 2238 H2 TIP3A 746 15.004 32.049 21.344 1.00 0.00 H -ATOM 2239 O1 TIP3A 747 33.464 16.374 9.715 1.00 0.00 O -ATOM 2240 H1 TIP3A 747 32.607 15.956 9.783 1.00 0.00 H -ATOM 2241 H2 TIP3A 747 33.753 16.478 10.622 1.00 0.00 H -ATOM 2242 O1 TIP3A 748 0.873 2.671 33.477 1.00 0.00 O -ATOM 2243 H1 TIP3A 748 1.140 1.756 33.558 1.00 0.00 H -ATOM 2244 H2 TIP3A 748 0.000 2.633 33.086 1.00 0.00 H -ATOM 2245 O1 TIP3A 749 2.603 0.920 3.936 1.00 0.00 O -ATOM 2246 H1 TIP3A 749 2.832 0.000 4.064 1.00 0.00 H -ATOM 2247 H2 TIP3A 749 1.651 0.917 3.827 1.00 0.00 H -ATOM 2248 O1 TIP3A 750 5.522 26.868 30.103 1.00 0.00 O -ATOM 2249 H1 TIP3A 750 5.699 27.455 29.368 1.00 0.00 H -ATOM 2250 H2 TIP3A 750 6.353 26.818 30.576 1.00 0.00 H -ATOM 2251 O1 TIP3A 751 20.696 3.965 16.349 1.00 0.00 O -ATOM 2252 H1 TIP3A 751 20.277 4.455 15.642 1.00 0.00 H -ATOM 2253 H2 TIP3A 751 21.578 4.335 16.407 1.00 0.00 H -ATOM 2254 O1 TIP3A 752 29.639 12.263 30.509 1.00 0.00 O -ATOM 2255 H1 TIP3A 752 30.279 11.799 31.048 1.00 0.00 H -ATOM 2256 H2 TIP3A 752 29.543 11.718 29.727 1.00 0.00 H -ATOM 2257 O1 TIP3A 753 36.093 5.070 27.322 1.00 0.00 O -ATOM 2258 H1 TIP3A 753 35.498 4.365 27.574 1.00 0.00 H -ATOM 2259 H2 TIP3A 753 36.732 5.110 28.034 1.00 0.00 H -ATOM 2260 O1 TIP3A 754 25.175 27.636 15.906 1.00 0.00 O -ATOM 2261 H1 TIP3A 754 25.960 27.335 16.363 1.00 0.00 H -ATOM 2262 H2 TIP3A 754 25.281 28.586 15.846 1.00 0.00 H -ATOM 2263 O1 TIP3A 755 31.500 27.923 9.860 1.00 0.00 O -ATOM 2264 H1 TIP3A 755 32.202 27.620 9.286 1.00 0.00 H -ATOM 2265 H2 TIP3A 755 31.201 27.134 10.313 1.00 0.00 H -ATOM 2266 O1 TIP3A 756 10.543 22.285 11.677 1.00 0.00 O -ATOM 2267 H1 TIP3A 756 10.281 21.666 10.996 1.00 0.00 H -ATOM 2268 H2 TIP3A 756 11.475 22.436 11.520 1.00 0.00 H -ATOM 2269 O1 TIP3A 757 21.590 11.754 14.020 1.00 0.00 O -ATOM 2270 H1 TIP3A 757 21.330 12.076 13.158 1.00 0.00 H -ATOM 2271 H2 TIP3A 757 21.975 12.516 14.456 1.00 0.00 H -ATOM 2272 O1 TIP3A 758 18.072 11.251 5.556 1.00 0.00 O -ATOM 2273 H1 TIP3A 758 18.934 11.088 5.174 1.00 0.00 H -ATOM 2274 H2 TIP3A 758 17.461 10.804 4.968 1.00 0.00 H -ATOM 2275 O1 TIP3A 759 15.059 30.555 19.212 1.00 0.00 O -ATOM 2276 H1 TIP3A 759 14.861 29.657 19.475 1.00 0.00 H -ATOM 2277 H2 TIP3A 759 15.881 30.487 18.724 1.00 0.00 H -ATOM 2278 O1 TIP3A 760 17.785 21.068 25.656 1.00 0.00 O -ATOM 2279 H1 TIP3A 760 16.913 20.831 25.969 1.00 0.00 H -ATOM 2280 H2 TIP3A 760 18.380 20.739 26.330 1.00 0.00 H -ATOM 2281 O1 TIP3A 761 26.291 13.564 4.348 1.00 0.00 O -ATOM 2282 H1 TIP3A 761 25.971 13.079 5.108 1.00 0.00 H -ATOM 2283 H2 TIP3A 761 26.649 12.892 3.768 1.00 0.00 H -ATOM 2284 O1 TIP3A 762 26.368 9.221 1.468 1.00 0.00 O -ATOM 2285 H1 TIP3A 762 27.071 9.677 1.006 1.00 0.00 H -ATOM 2286 H2 TIP3A 762 26.311 9.663 2.315 1.00 0.00 H -ATOM 2287 O1 TIP3A 763 9.851 13.777 6.557 1.00 0.00 O -ATOM 2288 H1 TIP3A 763 10.381 14.388 6.046 1.00 0.00 H -ATOM 2289 H2 TIP3A 763 10.102 12.912 6.232 1.00 0.00 H -ATOM 2290 O1 TIP3A 764 24.484 2.849 27.278 1.00 0.00 O -ATOM 2291 H1 TIP3A 764 24.299 2.010 26.858 1.00 0.00 H -ATOM 2292 H2 TIP3A 764 24.807 2.615 28.149 1.00 0.00 H -ATOM 2293 O1 TIP3A 765 21.019 13.473 6.613 1.00 0.00 O -ATOM 2294 H1 TIP3A 765 21.863 13.922 6.578 1.00 0.00 H -ATOM 2295 H2 TIP3A 765 21.088 12.780 5.956 1.00 0.00 H -ATOM 2296 O1 TIP3A 766 11.255 26.506 3.186 1.00 0.00 O -ATOM 2297 H1 TIP3A 766 10.529 26.640 3.793 1.00 0.00 H -ATOM 2298 H2 TIP3A 766 11.660 25.687 3.473 1.00 0.00 H -ATOM 2299 O1 TIP3A 767 3.922 8.775 20.330 1.00 0.00 O -ATOM 2300 H1 TIP3A 767 3.861 9.709 20.525 1.00 0.00 H -ATOM 2301 H2 TIP3A 767 4.334 8.737 19.466 1.00 0.00 H -ATOM 2302 O1 TIP3A 768 18.343 3.814 20.818 1.00 0.00 O -ATOM 2303 H1 TIP3A 768 17.599 4.341 20.528 1.00 0.00 H -ATOM 2304 H2 TIP3A 768 19.020 3.970 20.159 1.00 0.00 H -ATOM 2305 O1 TIP3A 769 23.851 24.899 22.080 1.00 0.00 O -ATOM 2306 H1 TIP3A 769 24.297 25.722 21.884 1.00 0.00 H -ATOM 2307 H2 TIP3A 769 23.973 24.778 23.022 1.00 0.00 H -ATOM 2308 O1 TIP3A 770 14.875 26.350 28.142 1.00 0.00 O -ATOM 2309 H1 TIP3A 770 15.386 27.043 28.559 1.00 0.00 H -ATOM 2310 H2 TIP3A 770 15.479 25.949 27.517 1.00 0.00 H -ATOM 2311 O1 TIP3A 771 11.285 24.522 22.029 1.00 0.00 O -ATOM 2312 H1 TIP3A 771 11.730 23.689 22.178 1.00 0.00 H -ATOM 2313 H2 TIP3A 771 11.767 25.150 22.569 1.00 0.00 H -ATOM 2314 O1 TIP3A 772 0.625 34.762 6.332 1.00 0.00 O -ATOM 2315 H1 TIP3A 772 0.735 35.711 6.275 1.00 0.00 H -ATOM 2316 H2 TIP3A 772 0.105 34.628 7.125 1.00 0.00 H -ATOM 2317 O1 TIP3A 773 6.884 28.678 19.982 1.00 0.00 O -ATOM 2318 H1 TIP3A 773 6.726 28.762 19.042 1.00 0.00 H -ATOM 2319 H2 TIP3A 773 7.838 28.691 20.068 1.00 0.00 H -ATOM 2320 O1 TIP3A 774 21.282 10.866 17.136 1.00 0.00 O -ATOM 2321 H1 TIP3A 774 21.744 11.702 17.086 1.00 0.00 H -ATOM 2322 H2 TIP3A 774 21.102 10.746 18.069 1.00 0.00 H -ATOM 2323 O1 TIP3A 775 29.988 37.658 0.828 1.00 0.00 O -ATOM 2324 H1 TIP3A 775 29.090 37.332 0.778 1.00 0.00 H -ATOM 2325 H2 TIP3A 775 30.405 37.112 1.496 1.00 0.00 H -ATOM 2326 O1 TIP3A 776 9.893 26.159 34.475 1.00 0.00 O -ATOM 2327 H1 TIP3A 776 9.165 26.331 35.071 1.00 0.00 H -ATOM 2328 H2 TIP3A 776 10.166 25.265 34.680 1.00 0.00 H -ATOM 2329 O1 TIP3A 777 7.591 28.586 22.877 1.00 0.00 O -ATOM 2330 H1 TIP3A 777 8.489 28.708 22.569 1.00 0.00 H -ATOM 2331 H2 TIP3A 777 7.125 28.226 22.121 1.00 0.00 H -ATOM 2332 O1 TIP3A 778 28.114 15.593 24.752 1.00 0.00 O -ATOM 2333 H1 TIP3A 778 28.777 14.930 24.941 1.00 0.00 H -ATOM 2334 H2 TIP3A 778 27.738 15.325 23.913 1.00 0.00 H -ATOM 2335 O1 TIP3A 779 16.169 21.490 33.558 1.00 0.00 O -ATOM 2336 H1 TIP3A 779 16.045 22.421 33.375 1.00 0.00 H -ATOM 2337 H2 TIP3A 779 15.973 21.402 34.492 1.00 0.00 H -ATOM 2338 O1 TIP3A 780 31.552 7.113 29.004 1.00 0.00 O -ATOM 2339 H1 TIP3A 780 32.330 7.304 28.480 1.00 0.00 H -ATOM 2340 H2 TIP3A 780 30.934 7.809 28.779 1.00 0.00 H -ATOM 2341 O1 TIP3A 781 19.385 14.226 17.802 1.00 0.00 O -ATOM 2342 H1 TIP3A 781 18.629 13.649 17.903 1.00 0.00 H -ATOM 2343 H2 TIP3A 781 19.113 14.863 17.141 1.00 0.00 H -ATOM 2344 O1 TIP3A 782 25.999 29.125 30.142 1.00 0.00 O -ATOM 2345 H1 TIP3A 782 25.274 29.719 29.951 1.00 0.00 H -ATOM 2346 H2 TIP3A 782 26.665 29.342 29.488 1.00 0.00 H -ATOM 2347 O1 TIP3A 783 16.765 14.461 8.931 1.00 0.00 O -ATOM 2348 H1 TIP3A 783 17.588 14.259 9.373 1.00 0.00 H -ATOM 2349 H2 TIP3A 783 16.087 14.220 9.563 1.00 0.00 H -ATOM 2350 O1 TIP3A 784 21.822 27.252 26.035 1.00 0.00 O -ATOM 2351 H1 TIP3A 784 21.538 26.960 26.900 1.00 0.00 H -ATOM 2352 H2 TIP3A 784 21.894 28.204 26.114 1.00 0.00 H -ATOM 2353 O1 TIP3A 785 11.263 27.595 28.322 1.00 0.00 O -ATOM 2354 H1 TIP3A 785 11.442 28.532 28.392 1.00 0.00 H -ATOM 2355 H2 TIP3A 785 11.843 27.291 27.623 1.00 0.00 H -ATOM 2356 O1 TIP3A 786 17.956 27.100 25.499 1.00 0.00 O -ATOM 2357 H1 TIP3A 786 17.500 26.522 26.110 1.00 0.00 H -ATOM 2358 H2 TIP3A 786 18.516 26.515 24.986 1.00 0.00 H -ATOM 2359 O1 TIP3A 787 13.033 24.466 37.016 1.00 0.00 O -ATOM 2360 H1 TIP3A 787 13.337 23.845 37.677 1.00 0.00 H -ATOM 2361 H2 TIP3A 787 12.634 23.919 36.338 1.00 0.00 H -ATOM 2362 O1 TIP3A 788 6.417 2.595 32.770 1.00 0.00 O -ATOM 2363 H1 TIP3A 788 5.466 2.658 32.687 1.00 0.00 H -ATOM 2364 H2 TIP3A 788 6.678 1.987 32.078 1.00 0.00 H -ATOM 2365 O1 TIP3A 789 15.771 16.067 0.756 1.00 0.00 O -ATOM 2366 H1 TIP3A 789 16.057 15.181 0.536 1.00 0.00 H -ATOM 2367 H2 TIP3A 789 15.255 16.348 0.000 1.00 0.00 H -ATOM 2368 O1 TIP3A 790 23.282 12.977 30.738 1.00 0.00 O -ATOM 2369 H1 TIP3A 790 23.296 12.024 30.657 1.00 0.00 H -ATOM 2370 H2 TIP3A 790 24.008 13.179 31.329 1.00 0.00 H -ATOM 2371 O1 TIP3A 791 38.254 4.795 35.921 1.00 0.00 O -ATOM 2372 H1 TIP3A 791 37.478 5.216 36.290 1.00 0.00 H -ATOM 2373 H2 TIP3A 791 38.400 5.248 35.090 1.00 0.00 H -ATOM 2374 O1 TIP3A 792 5.168 16.818 26.352 1.00 0.00 O -ATOM 2375 H1 TIP3A 792 5.248 17.761 26.489 1.00 0.00 H -ATOM 2376 H2 TIP3A 792 4.356 16.716 25.855 1.00 0.00 H -ATOM 2377 O1 TIP3A 793 33.611 0.136 2.992 1.00 0.00 O -ATOM 2378 H1 TIP3A 793 33.700 1.081 2.867 1.00 0.00 H -ATOM 2379 H2 TIP3A 793 32.755 0.028 3.408 1.00 0.00 H -ATOM 2380 O1 TIP3A 794 29.783 32.382 9.172 1.00 0.00 O -ATOM 2381 H1 TIP3A 794 29.839 31.543 8.715 1.00 0.00 H -ATOM 2382 H2 TIP3A 794 30.515 32.368 9.789 1.00 0.00 H -ATOM 2383 O1 TIP3A 795 8.022 21.232 20.538 1.00 0.00 O -ATOM 2384 H1 TIP3A 795 7.992 22.134 20.222 1.00 0.00 H -ATOM 2385 H2 TIP3A 795 8.613 20.785 19.932 1.00 0.00 H -ATOM 2386 O1 TIP3A 796 21.990 19.711 25.687 1.00 0.00 O -ATOM 2387 H1 TIP3A 796 21.159 19.242 25.616 1.00 0.00 H -ATOM 2388 H2 TIP3A 796 22.368 19.665 24.809 1.00 0.00 H -ATOM 2389 O1 TIP3A 797 38.315 14.751 11.282 1.00 0.00 O -ATOM 2390 H1 TIP3A 797 37.957 15.636 11.341 1.00 0.00 H -ATOM 2391 H2 TIP3A 797 37.862 14.262 11.971 1.00 0.00 H -ATOM 2392 O1 TIP3A 798 11.199 24.114 9.211 1.00 0.00 O -ATOM 2393 H1 TIP3A 798 11.783 23.463 9.598 1.00 0.00 H -ATOM 2394 H2 TIP3A 798 10.967 24.691 9.939 1.00 0.00 H -ATOM 2395 O1 TIP3A 799 15.209 27.542 20.186 1.00 0.00 O -ATOM 2396 H1 TIP3A 799 15.755 26.757 20.200 1.00 0.00 H -ATOM 2397 H2 TIP3A 799 14.507 27.335 19.568 1.00 0.00 H -ATOM 2398 O1 TIP3A 800 12.308 19.776 3.449 1.00 0.00 O -ATOM 2399 H1 TIP3A 800 12.995 20.438 3.382 1.00 0.00 H -ATOM 2400 H2 TIP3A 800 11.961 19.878 4.336 1.00 0.00 H -ATOM 2401 O1 TIP3A 801 17.411 14.840 13.739 1.00 0.00 O -ATOM 2402 H1 TIP3A 801 17.941 15.526 14.142 1.00 0.00 H -ATOM 2403 H2 TIP3A 801 16.507 15.089 13.933 1.00 0.00 H -ATOM 2404 O1 TIP3A 802 11.884 9.557 4.112 1.00 0.00 O -ATOM 2405 H1 TIP3A 802 12.605 9.639 3.489 1.00 0.00 H -ATOM 2406 H2 TIP3A 802 12.272 9.776 4.960 1.00 0.00 H -ATOM 2407 O1 TIP3A 803 28.166 17.367 18.110 1.00 0.00 O -ATOM 2408 H1 TIP3A 803 28.790 16.643 18.062 1.00 0.00 H -ATOM 2409 H2 TIP3A 803 27.835 17.339 19.008 1.00 0.00 H -ATOM 2410 O1 TIP3A 804 16.900 34.736 27.720 1.00 0.00 O -ATOM 2411 H1 TIP3A 804 17.816 34.567 27.502 1.00 0.00 H -ATOM 2412 H2 TIP3A 804 16.456 34.781 26.873 1.00 0.00 H -ATOM 2413 O1 TIP3A 805 23.945 26.758 25.267 1.00 0.00 O -ATOM 2414 H1 TIP3A 805 23.625 27.525 24.793 1.00 0.00 H -ATOM 2415 H2 TIP3A 805 24.248 27.104 26.107 1.00 0.00 H -ATOM 2416 O1 TIP3A 806 7.729 8.481 10.037 1.00 0.00 O -ATOM 2417 H1 TIP3A 806 8.004 7.585 10.225 1.00 0.00 H -ATOM 2418 H2 TIP3A 806 6.808 8.403 9.785 1.00 0.00 H -ATOM 2419 O1 TIP3A 807 8.580 4.689 0.213 1.00 0.00 O -ATOM 2420 H1 TIP3A 807 7.844 4.433 0.767 1.00 0.00 H -ATOM 2421 H2 TIP3A 807 8.957 5.453 0.652 1.00 0.00 H -ATOM 2422 O1 TIP3A 808 35.557 28.658 5.091 1.00 0.00 O -ATOM 2423 H1 TIP3A 808 36.100 28.045 5.584 1.00 0.00 H -ATOM 2424 H2 TIP3A 808 35.914 28.634 4.202 1.00 0.00 H -ATOM 2425 O1 TIP3A 809 27.350 16.154 0.660 1.00 0.00 O -ATOM 2426 H1 TIP3A 809 28.238 15.857 0.466 1.00 0.00 H -ATOM 2427 H2 TIP3A 809 26.784 15.465 0.309 1.00 0.00 H -ATOM 2428 O1 TIP3A 810 20.352 22.513 16.199 1.00 0.00 O -ATOM 2429 H1 TIP3A 810 19.875 22.485 15.371 1.00 0.00 H -ATOM 2430 H2 TIP3A 810 21.132 23.035 16.009 1.00 0.00 H -ATOM 2431 O1 TIP3A 811 22.359 3.248 36.227 1.00 0.00 O -ATOM 2432 H1 TIP3A 811 22.902 3.565 36.947 1.00 0.00 H -ATOM 2433 H2 TIP3A 811 22.984 2.895 35.593 1.00 0.00 H -ATOM 2434 O1 TIP3A 812 23.915 11.390 19.714 1.00 0.00 O -ATOM 2435 H1 TIP3A 812 23.109 11.784 19.381 1.00 0.00 H -ATOM 2436 H2 TIP3A 812 24.589 11.657 19.089 1.00 0.00 H -ATOM 2437 O1 TIP3A 813 24.847 11.032 15.954 1.00 0.00 O -ATOM 2438 H1 TIP3A 813 23.910 11.005 15.765 1.00 0.00 H -ATOM 2439 H2 TIP3A 813 25.254 11.258 15.117 1.00 0.00 H -ATOM 2440 O1 TIP3A 814 32.683 9.424 14.264 1.00 0.00 O -ATOM 2441 H1 TIP3A 814 31.760 9.177 14.217 1.00 0.00 H -ATOM 2442 H2 TIP3A 814 33.110 8.678 14.686 1.00 0.00 H -ATOM 2443 O1 TIP3A 815 23.047 31.009 12.644 1.00 0.00 O -ATOM 2444 H1 TIP3A 815 23.504 31.824 12.439 1.00 0.00 H -ATOM 2445 H2 TIP3A 815 23.313 30.803 13.541 1.00 0.00 H -ATOM 2446 O1 TIP3A 816 4.025 34.501 35.912 1.00 0.00 O -ATOM 2447 H1 TIP3A 816 3.743 33.953 35.180 1.00 0.00 H -ATOM 2448 H2 TIP3A 816 4.892 34.168 36.142 1.00 0.00 H -ATOM 2449 O1 TIP3A 817 25.796 34.422 23.095 1.00 0.00 O -ATOM 2450 H1 TIP3A 817 25.192 33.941 23.660 1.00 0.00 H -ATOM 2451 H2 TIP3A 817 25.770 35.320 23.427 1.00 0.00 H -ATOM 2452 O1 TIP3A 818 30.787 37.457 11.863 1.00 0.00 O -ATOM 2453 H1 TIP3A 818 30.079 37.227 11.262 1.00 0.00 H -ATOM 2454 H2 TIP3A 818 30.915 38.398 11.734 1.00 0.00 H -ATOM 2455 O1 TIP3A 819 10.900 7.863 29.391 1.00 0.00 O -ATOM 2456 H1 TIP3A 819 10.397 8.621 29.099 1.00 0.00 H -ATOM 2457 H2 TIP3A 819 11.809 8.164 29.394 1.00 0.00 H -ATOM 2458 O1 TIP3A 820 16.943 13.159 15.080 1.00 0.00 O -ATOM 2459 H1 TIP3A 820 16.436 12.360 14.939 1.00 0.00 H -ATOM 2460 H2 TIP3A 820 17.115 13.172 16.022 1.00 0.00 H -ATOM 2461 O1 TIP3A 821 19.137 15.507 27.506 1.00 0.00 O -ATOM 2462 H1 TIP3A 821 20.056 15.244 27.499 1.00 0.00 H -ATOM 2463 H2 TIP3A 821 18.715 14.925 26.872 1.00 0.00 H -ATOM 2464 O1 TIP3A 822 2.240 6.157 35.597 1.00 0.00 O -ATOM 2465 H1 TIP3A 822 2.621 6.981 35.293 1.00 0.00 H -ATOM 2466 H2 TIP3A 822 2.970 5.537 35.588 1.00 0.00 H -ATOM 2467 O1 TIP3A 823 25.743 8.180 10.261 1.00 0.00 O -ATOM 2468 H1 TIP3A 823 25.810 9.068 9.913 1.00 0.00 H -ATOM 2469 H2 TIP3A 823 24.816 8.075 10.476 1.00 0.00 H -ATOM 2470 O1 TIP3A 824 12.821 22.506 26.567 1.00 0.00 O -ATOM 2471 H1 TIP3A 824 13.426 23.241 26.474 1.00 0.00 H -ATOM 2472 H2 TIP3A 824 12.084 22.729 25.996 1.00 0.00 H -ATOM 2473 O1 TIP3A 825 18.867 22.472 3.752 1.00 0.00 O -ATOM 2474 H1 TIP3A 825 19.317 23.314 3.821 1.00 0.00 H -ATOM 2475 H2 TIP3A 825 18.737 22.195 4.659 1.00 0.00 H -ATOM 2476 O1 TIP3A 826 23.373 14.092 27.998 1.00 0.00 O -ATOM 2477 H1 TIP3A 826 22.454 13.905 28.188 1.00 0.00 H -ATOM 2478 H2 TIP3A 826 23.834 13.882 28.811 1.00 0.00 H -ATOM 2479 O1 TIP3A 827 19.153 18.068 29.891 1.00 0.00 O -ATOM 2480 H1 TIP3A 827 18.387 17.509 29.765 1.00 0.00 H -ATOM 2481 H2 TIP3A 827 19.559 17.741 30.694 1.00 0.00 H -ATOM 2482 O1 TIP3A 828 23.598 24.255 19.991 1.00 0.00 O -ATOM 2483 H1 TIP3A 828 23.016 24.790 19.453 1.00 0.00 H -ATOM 2484 H2 TIP3A 828 24.480 24.498 19.706 1.00 0.00 H -ATOM 2485 O1 TIP3A 829 19.149 17.757 1.371 1.00 0.00 O -ATOM 2486 H1 TIP3A 829 19.042 18.650 1.047 1.00 0.00 H -ATOM 2487 H2 TIP3A 829 19.344 17.861 2.303 1.00 0.00 H -ATOM 2488 O1 TIP3A 830 27.144 24.295 20.611 1.00 0.00 O -ATOM 2489 H1 TIP3A 830 26.582 23.894 19.949 1.00 0.00 H -ATOM 2490 H2 TIP3A 830 27.443 23.561 21.148 1.00 0.00 H -ATOM 2491 O1 TIP3A 831 1.473 20.420 32.005 1.00 0.00 O -ATOM 2492 H1 TIP3A 831 0.677 20.791 31.626 1.00 0.00 H -ATOM 2493 H2 TIP3A 831 2.183 20.946 31.636 1.00 0.00 H -ATOM 2494 O1 TIP3A 832 21.898 21.316 14.821 1.00 0.00 O -ATOM 2495 H1 TIP3A 832 21.509 20.456 14.665 1.00 0.00 H -ATOM 2496 H2 TIP3A 832 22.818 21.132 15.014 1.00 0.00 H -ATOM 2497 O1 TIP3A 833 31.263 22.893 28.465 1.00 0.00 O -ATOM 2498 H1 TIP3A 833 30.740 22.781 27.671 1.00 0.00 H -ATOM 2499 H2 TIP3A 833 31.184 23.824 28.675 1.00 0.00 H -ATOM 2500 O1 TIP3A 834 8.307 35.014 12.412 1.00 0.00 O -ATOM 2501 H1 TIP3A 834 8.175 34.843 13.344 1.00 0.00 H -ATOM 2502 H2 TIP3A 834 9.030 34.438 12.162 1.00 0.00 H -ATOM 2503 O1 TIP3A 835 11.946 7.564 3.173 1.00 0.00 O -ATOM 2504 H1 TIP3A 835 11.633 6.863 3.743 1.00 0.00 H -ATOM 2505 H2 TIP3A 835 11.597 7.344 2.308 1.00 0.00 H -ATOM 2506 O1 TIP3A 836 14.179 15.648 30.076 1.00 0.00 O -ATOM 2507 H1 TIP3A 836 13.383 15.407 29.602 1.00 0.00 H -ATOM 2508 H2 TIP3A 836 13.945 15.556 31.000 1.00 0.00 H -ATOM 2509 O1 TIP3A 837 37.957 13.381 3.767 1.00 0.00 O -ATOM 2510 H1 TIP3A 837 38.400 12.536 3.841 1.00 0.00 H -ATOM 2511 H2 TIP3A 837 37.255 13.229 3.134 1.00 0.00 H -ATOM 2512 O1 TIP3A 838 18.538 34.231 5.507 1.00 0.00 O -ATOM 2513 H1 TIP3A 838 18.450 33.937 4.600 1.00 0.00 H -ATOM 2514 H2 TIP3A 838 18.447 33.433 6.028 1.00 0.00 H -ATOM 2515 O1 TIP3A 839 0.939 25.589 19.557 1.00 0.00 O -ATOM 2516 H1 TIP3A 839 0.490 26.276 20.048 1.00 0.00 H -ATOM 2517 H2 TIP3A 839 1.385 26.054 18.848 1.00 0.00 H -ATOM 2518 O1 TIP3A 840 21.341 0.502 37.905 1.00 0.00 O -ATOM 2519 H1 TIP3A 840 20.529 0.005 38.000 1.00 0.00 H -ATOM 2520 H2 TIP3A 840 21.985 0.009 38.415 1.00 0.00 H -ATOM 2521 O1 TIP3A 841 34.308 34.952 6.004 1.00 0.00 O -ATOM 2522 H1 TIP3A 841 33.458 34.514 5.982 1.00 0.00 H -ATOM 2523 H2 TIP3A 841 34.225 35.670 5.376 1.00 0.00 H -ATOM 2524 O1 TIP3A 842 17.680 3.828 14.515 1.00 0.00 O -ATOM 2525 H1 TIP3A 842 16.906 3.648 15.047 1.00 0.00 H -ATOM 2526 H2 TIP3A 842 17.383 4.471 13.870 1.00 0.00 H -ATOM 2527 O1 TIP3A 843 7.189 15.820 30.957 1.00 0.00 O -ATOM 2528 H1 TIP3A 843 7.061 14.935 31.295 1.00 0.00 H -ATOM 2529 H2 TIP3A 843 8.130 15.879 30.787 1.00 0.00 H -ATOM 2530 O1 TIP3A 844 17.155 16.732 7.712 1.00 0.00 O -ATOM 2531 H1 TIP3A 844 17.854 16.817 7.064 1.00 0.00 H -ATOM 2532 H2 TIP3A 844 16.609 16.017 7.385 1.00 0.00 H -ATOM 2533 O1 TIP3A 845 29.827 8.728 30.994 1.00 0.00 O -ATOM 2534 H1 TIP3A 845 30.520 8.070 30.961 1.00 0.00 H -ATOM 2535 H2 TIP3A 845 29.197 8.448 30.330 1.00 0.00 H -ATOM 2536 O1 TIP3A 846 11.530 11.115 30.408 1.00 0.00 O -ATOM 2537 H1 TIP3A 846 11.836 11.522 29.599 1.00 0.00 H -ATOM 2538 H2 TIP3A 846 11.484 10.180 30.205 1.00 0.00 H -ATOM 2539 O1 TIP3A 847 34.932 7.296 33.237 1.00 0.00 O -ATOM 2540 H1 TIP3A 847 34.145 6.764 33.347 1.00 0.00 H -ATOM 2541 H2 TIP3A 847 35.614 6.816 33.709 1.00 0.00 H -ATOM 2542 O1 TIP3A 848 19.031 31.721 19.721 1.00 0.00 O -ATOM 2543 H1 TIP3A 848 19.659 32.204 19.185 1.00 0.00 H -ATOM 2544 H2 TIP3A 848 19.343 30.816 19.701 1.00 0.00 H -ATOM 2545 O1 TIP3A 849 5.820 3.934 12.181 1.00 0.00 O -ATOM 2546 H1 TIP3A 849 5.153 3.437 11.708 1.00 0.00 H -ATOM 2547 H2 TIP3A 849 5.610 4.851 11.999 1.00 0.00 H -ATOM 2548 O1 TIP3A 850 18.025 19.329 18.557 1.00 0.00 O -ATOM 2549 H1 TIP3A 850 18.013 19.583 19.479 1.00 0.00 H -ATOM 2550 H2 TIP3A 850 18.863 19.656 18.228 1.00 0.00 H -ATOM 2551 O1 TIP3A 851 28.593 27.805 22.850 1.00 0.00 O -ATOM 2552 H1 TIP3A 851 29.024 26.962 22.993 1.00 0.00 H -ATOM 2553 H2 TIP3A 851 28.444 28.151 23.731 1.00 0.00 H -ATOM 2554 O1 TIP3A 852 14.504 33.587 37.762 1.00 0.00 O -ATOM 2555 H1 TIP3A 852 14.675 34.362 38.295 1.00 0.00 H -ATOM 2556 H2 TIP3A 852 14.377 32.881 38.397 1.00 0.00 H -ATOM 2557 O1 TIP3A 853 28.269 4.691 30.980 1.00 0.00 O -ATOM 2558 H1 TIP3A 853 28.411 4.679 30.034 1.00 0.00 H -ATOM 2559 H2 TIP3A 853 29.095 4.381 31.351 1.00 0.00 H -ATOM 2560 O1 TIP3A 854 31.857 33.105 33.187 1.00 0.00 O -ATOM 2561 H1 TIP3A 854 30.981 32.864 32.888 1.00 0.00 H -ATOM 2562 H2 TIP3A 854 32.102 33.850 32.638 1.00 0.00 H -ATOM 2563 O1 TIP3A 855 9.162 21.831 35.962 1.00 0.00 O -ATOM 2564 H1 TIP3A 855 9.581 21.881 35.104 1.00 0.00 H -ATOM 2565 H2 TIP3A 855 9.884 21.910 36.587 1.00 0.00 H -ATOM 2566 O1 TIP3A 856 9.586 7.933 8.737 1.00 0.00 O -ATOM 2567 H1 TIP3A 856 10.476 7.812 8.409 1.00 0.00 H -ATOM 2568 H2 TIP3A 856 9.416 8.869 8.632 1.00 0.00 H -ATOM 2569 O1 TIP3A 857 3.207 24.155 31.749 1.00 0.00 O -ATOM 2570 H1 TIP3A 857 3.714 23.363 31.575 1.00 0.00 H -ATOM 2571 H2 TIP3A 857 2.973 24.091 32.675 1.00 0.00 H -ATOM 2572 O1 TIP3A 858 8.680 1.240 30.617 1.00 0.00 O -ATOM 2573 H1 TIP3A 858 8.555 2.132 30.939 1.00 0.00 H -ATOM 2574 H2 TIP3A 858 8.889 0.729 31.399 1.00 0.00 H -ATOM 2575 O1 TIP3A 859 27.662 25.725 19.020 1.00 0.00 O -ATOM 2576 H1 TIP3A 859 26.764 26.050 18.961 1.00 0.00 H -ATOM 2577 H2 TIP3A 859 28.043 26.205 19.756 1.00 0.00 H -ATOM 2578 O1 TIP3A 860 10.024 27.995 10.645 1.00 0.00 O -ATOM 2579 H1 TIP3A 860 9.599 28.546 9.989 1.00 0.00 H -ATOM 2580 H2 TIP3A 860 9.349 27.368 10.906 1.00 0.00 H -ATOM 2581 O1 TIP3A 861 4.806 14.196 14.938 1.00 0.00 O -ATOM 2582 H1 TIP3A 861 4.224 14.892 15.242 1.00 0.00 H -ATOM 2583 H2 TIP3A 861 5.381 14.624 14.303 1.00 0.00 H -ATOM 2584 O1 TIP3A 862 31.181 35.049 36.485 1.00 0.00 O -ATOM 2585 H1 TIP3A 862 31.977 35.533 36.267 1.00 0.00 H -ATOM 2586 H2 TIP3A 862 30.640 35.679 36.963 1.00 0.00 H -ATOM 2587 O1 TIP3A 863 38.141 15.721 28.236 1.00 0.00 O -ATOM 2588 H1 TIP3A 863 38.400 14.803 28.175 1.00 0.00 H -ATOM 2589 H2 TIP3A 863 37.877 15.835 29.150 1.00 0.00 H -ATOM 2590 O1 TIP3A 864 14.492 7.160 21.080 1.00 0.00 O -ATOM 2591 H1 TIP3A 864 15.317 7.529 20.767 1.00 0.00 H -ATOM 2592 H2 TIP3A 864 14.313 6.431 20.485 1.00 0.00 H -ATOM 2593 O1 TIP3A 865 14.762 2.378 34.269 1.00 0.00 O -ATOM 2594 H1 TIP3A 865 14.455 1.502 34.499 1.00 0.00 H -ATOM 2595 H2 TIP3A 865 14.139 2.686 33.610 1.00 0.00 H -ATOM 2596 O1 TIP3A 866 23.748 19.157 14.480 1.00 0.00 O -ATOM 2597 H1 TIP3A 866 24.027 19.330 15.379 1.00 0.00 H -ATOM 2598 H2 TIP3A 866 22.901 18.720 14.571 1.00 0.00 H -ATOM 2599 O1 TIP3A 867 35.725 25.931 29.214 1.00 0.00 O -ATOM 2600 H1 TIP3A 867 36.555 25.792 29.669 1.00 0.00 H -ATOM 2601 H2 TIP3A 867 35.168 26.369 29.858 1.00 0.00 H -ATOM 2602 O1 TIP3A 868 19.138 27.329 7.651 1.00 0.00 O -ATOM 2603 H1 TIP3A 868 19.528 27.620 6.827 1.00 0.00 H -ATOM 2604 H2 TIP3A 868 19.240 28.075 8.242 1.00 0.00 H -ATOM 2605 O1 TIP3A 869 16.351 5.252 31.872 1.00 0.00 O -ATOM 2606 H1 TIP3A 869 17.050 5.097 31.238 1.00 0.00 H -ATOM 2607 H2 TIP3A 869 16.081 4.376 32.151 1.00 0.00 H -ATOM 2608 O1 TIP3A 870 32.954 23.940 4.094 1.00 0.00 O -ATOM 2609 H1 TIP3A 870 32.762 23.722 3.182 1.00 0.00 H -ATOM 2610 H2 TIP3A 870 33.256 24.848 4.065 1.00 0.00 H -ATOM 2611 O1 TIP3A 871 15.452 24.922 34.222 1.00 0.00 O -ATOM 2612 H1 TIP3A 871 14.907 25.673 34.456 1.00 0.00 H -ATOM 2613 H2 TIP3A 871 15.890 25.186 33.412 1.00 0.00 H -ATOM 2614 O1 TIP3A 872 3.499 0.561 8.951 1.00 0.00 O -ATOM 2615 H1 TIP3A 872 2.603 0.226 8.938 1.00 0.00 H -ATOM 2616 H2 TIP3A 872 3.498 1.275 8.312 1.00 0.00 H -ATOM 2617 O1 TIP3A 873 23.022 12.753 8.174 1.00 0.00 O -ATOM 2618 H1 TIP3A 873 23.321 13.658 8.256 1.00 0.00 H -ATOM 2619 H2 TIP3A 873 23.559 12.385 7.471 1.00 0.00 H -ATOM 2620 O1 TIP3A 874 13.310 31.555 15.040 1.00 0.00 O -ATOM 2621 H1 TIP3A 874 12.956 32.441 15.094 1.00 0.00 H -ATOM 2622 H2 TIP3A 874 13.972 31.603 14.349 1.00 0.00 H -ATOM 2623 O1 TIP3A 875 5.729 6.067 5.796 1.00 0.00 O -ATOM 2624 H1 TIP3A 875 5.775 5.692 6.675 1.00 0.00 H -ATOM 2625 H2 TIP3A 875 4.964 5.652 5.397 1.00 0.00 H -ATOM 2626 O1 TIP3A 876 14.289 3.233 13.223 1.00 0.00 O -ATOM 2627 H1 TIP3A 876 13.533 3.550 13.716 1.00 0.00 H -ATOM 2628 H2 TIP3A 876 14.972 3.108 13.883 1.00 0.00 H -ATOM 2629 O1 TIP3A 877 35.216 8.844 20.871 1.00 0.00 O -ATOM 2630 H1 TIP3A 877 35.018 8.019 21.314 1.00 0.00 H -ATOM 2631 H2 TIP3A 877 34.421 9.368 20.974 1.00 0.00 H -ATOM 2632 O1 TIP3A 878 9.174 32.311 11.321 1.00 0.00 O -ATOM 2633 H1 TIP3A 878 9.774 32.068 10.617 1.00 0.00 H -ATOM 2634 H2 TIP3A 878 8.448 32.749 10.877 1.00 0.00 H -ATOM 2635 O1 TIP3A 879 11.634 15.883 28.294 1.00 0.00 O -ATOM 2636 H1 TIP3A 879 10.727 15.744 28.025 1.00 0.00 H -ATOM 2637 H2 TIP3A 879 11.940 16.604 27.743 1.00 0.00 H -ATOM 2638 O1 TIP3A 880 24.628 16.313 25.997 1.00 0.00 O -ATOM 2639 H1 TIP3A 880 24.990 16.446 26.873 1.00 0.00 H -ATOM 2640 H2 TIP3A 880 25.133 15.584 25.636 1.00 0.00 H -ATOM 2641 O1 TIP3A 881 15.354 31.601 33.285 1.00 0.00 O -ATOM 2642 H1 TIP3A 881 14.475 31.843 32.997 1.00 0.00 H -ATOM 2643 H2 TIP3A 881 15.483 30.716 32.943 1.00 0.00 H -ATOM 2644 O1 TIP3A 882 28.314 13.639 1.870 1.00 0.00 O -ATOM 2645 H1 TIP3A 882 27.783 14.259 2.369 1.00 0.00 H -ATOM 2646 H2 TIP3A 882 28.628 13.012 2.523 1.00 0.00 H -ATOM 2647 O1 TIP3A 883 32.398 25.055 26.512 1.00 0.00 O -ATOM 2648 H1 TIP3A 883 32.191 25.452 27.357 1.00 0.00 H -ATOM 2649 H2 TIP3A 883 32.388 24.112 26.680 1.00 0.00 H -ATOM 2650 O1 TIP3A 884 36.275 18.541 14.574 1.00 0.00 O -ATOM 2651 H1 TIP3A 884 35.594 18.885 13.996 1.00 0.00 H -ATOM 2652 H2 TIP3A 884 37.094 18.867 14.201 1.00 0.00 H -ATOM 2653 O1 TIP3A 885 37.347 28.540 12.880 1.00 0.00 O -ATOM 2654 H1 TIP3A 885 37.163 29.356 12.416 1.00 0.00 H -ATOM 2655 H2 TIP3A 885 37.062 28.706 13.780 1.00 0.00 H -ATOM 2656 O1 TIP3A 886 4.245 21.169 17.048 1.00 0.00 O -ATOM 2657 H1 TIP3A 886 4.373 20.463 17.681 1.00 0.00 H -ATOM 2658 H2 TIP3A 886 3.726 21.822 17.518 1.00 0.00 H -ATOM 2659 O1 TIP3A 887 38.404 36.978 24.959 1.00 0.00 O -ATOM 2660 H1 TIP3A 887 38.323 36.684 25.866 1.00 0.00 H -ATOM 2661 H2 TIP3A 887 37.981 36.289 24.445 1.00 0.00 H -ATOM 2662 O1 TIP3A 888 15.629 11.040 19.050 1.00 0.00 O -ATOM 2663 H1 TIP3A 888 15.570 10.103 18.862 1.00 0.00 H -ATOM 2664 H2 TIP3A 888 14.898 11.212 19.646 1.00 0.00 H -ATOM 2665 O1 TIP3A 889 22.283 26.793 19.988 1.00 0.00 O -ATOM 2666 H1 TIP3A 889 23.075 27.316 19.876 1.00 0.00 H -ATOM 2667 H2 TIP3A 889 21.818 27.212 20.713 1.00 0.00 H -ATOM 2668 O1 TIP3A 890 4.560 12.514 31.827 1.00 0.00 O -ATOM 2669 H1 TIP3A 890 5.192 12.422 32.539 1.00 0.00 H -ATOM 2670 H2 TIP3A 890 5.079 12.821 31.083 1.00 0.00 H -ATOM 2671 O1 TIP3A 891 32.745 3.989 14.933 1.00 0.00 O -ATOM 2672 H1 TIP3A 891 32.290 3.470 14.270 1.00 0.00 H -ATOM 2673 H2 TIP3A 891 33.065 3.344 15.565 1.00 0.00 H -ATOM 2674 O1 TIP3A 892 32.136 2.866 0.719 1.00 0.00 O -ATOM 2675 H1 TIP3A 892 32.760 2.428 0.142 1.00 0.00 H -ATOM 2676 H2 TIP3A 892 32.470 3.760 0.801 1.00 0.00 H -ATOM 2677 O1 TIP3A 893 21.841 36.564 3.471 1.00 0.00 O -ATOM 2678 H1 TIP3A 893 20.999 36.115 3.399 1.00 0.00 H -ATOM 2679 H2 TIP3A 893 22.488 35.858 3.498 1.00 0.00 H -ATOM 2680 O1 TIP3A 894 8.802 38.161 12.571 1.00 0.00 O -ATOM 2681 H1 TIP3A 894 8.463 37.271 12.473 1.00 0.00 H -ATOM 2682 H2 TIP3A 894 9.749 38.049 12.655 1.00 0.00 H -ATOM 2683 O1 TIP3A 895 37.525 35.187 30.420 1.00 0.00 O -ATOM 2684 H1 TIP3A 895 37.555 35.160 31.376 1.00 0.00 H -ATOM 2685 H2 TIP3A 895 37.859 34.332 30.145 1.00 0.00 H -ATOM 2686 O1 TIP3A 896 11.650 21.056 28.456 1.00 0.00 O -ATOM 2687 H1 TIP3A 896 12.520 21.383 28.680 1.00 0.00 H -ATOM 2688 H2 TIP3A 896 11.767 20.112 28.352 1.00 0.00 H -ATOM 2689 O1 TIP3A 897 23.881 17.683 29.726 1.00 0.00 O -ATOM 2690 H1 TIP3A 897 23.764 17.436 28.809 1.00 0.00 H -ATOM 2691 H2 TIP3A 897 24.001 18.633 29.706 1.00 0.00 H -ATOM 2692 O1 TIP3A 898 19.613 28.794 30.216 1.00 0.00 O -ATOM 2693 H1 TIP3A 898 19.994 27.980 29.887 1.00 0.00 H -ATOM 2694 H2 TIP3A 898 18.668 28.639 30.204 1.00 0.00 H -ATOM 2695 O1 TIP3A 899 8.542 18.814 21.980 1.00 0.00 O -ATOM 2696 H1 TIP3A 899 9.336 19.335 22.095 1.00 0.00 H -ATOM 2697 H2 TIP3A 899 8.846 17.906 21.994 1.00 0.00 H -ATOM 2698 O1 TIP3A 900 6.671 23.073 14.864 1.00 0.00 O -ATOM 2699 H1 TIP3A 900 7.417 23.648 14.697 1.00 0.00 H -ATOM 2700 H2 TIP3A 900 6.831 22.306 14.313 1.00 0.00 H -ATOM 2701 O1 TIP3A 901 9.930 31.147 2.339 1.00 0.00 O -ATOM 2702 H1 TIP3A 901 9.188 30.551 2.440 1.00 0.00 H -ATOM 2703 H2 TIP3A 901 10.560 30.862 3.002 1.00 0.00 H -ATOM 2704 O1 TIP3A 902 13.416 8.116 32.274 1.00 0.00 O -ATOM 2705 H1 TIP3A 902 12.980 8.886 31.909 1.00 0.00 H -ATOM 2706 H2 TIP3A 902 14.243 8.060 31.795 1.00 0.00 H -ATOM 2707 O1 TIP3A 903 22.853 26.877 8.757 1.00 0.00 O -ATOM 2708 H1 TIP3A 903 23.804 26.959 8.826 1.00 0.00 H -ATOM 2709 H2 TIP3A 903 22.513 27.439 9.454 1.00 0.00 H -ATOM 2710 O1 TIP3A 904 3.900 19.083 19.714 1.00 0.00 O -ATOM 2711 H1 TIP3A 904 3.974 18.130 19.735 1.00 0.00 H -ATOM 2712 H2 TIP3A 904 4.543 19.389 20.355 1.00 0.00 H -ATOM 2713 O1 TIP3A 905 22.145 20.578 6.514 1.00 0.00 O -ATOM 2714 H1 TIP3A 905 21.631 20.843 5.752 1.00 0.00 H -ATOM 2715 H2 TIP3A 905 21.501 20.222 7.126 1.00 0.00 H -ATOM 2716 O1 TIP3A 906 0.814 33.149 29.872 1.00 0.00 O -ATOM 2717 H1 TIP3A 906 1.418 32.408 29.883 1.00 0.00 H -ATOM 2718 H2 TIP3A 906 0.157 32.914 29.215 1.00 0.00 H -ATOM 2719 O1 TIP3A 907 24.414 7.651 2.090 1.00 0.00 O -ATOM 2720 H1 TIP3A 907 24.357 7.284 1.208 1.00 0.00 H -ATOM 2721 H2 TIP3A 907 24.171 8.572 1.983 1.00 0.00 H -ATOM 2722 O1 TIP3A 908 4.694 10.995 9.867 1.00 0.00 O -ATOM 2723 H1 TIP3A 908 4.812 10.057 9.728 1.00 0.00 H -ATOM 2724 H2 TIP3A 908 4.310 11.314 9.050 1.00 0.00 H -ATOM 2725 O1 TIP3A 909 22.088 30.764 27.232 1.00 0.00 O -ATOM 2726 H1 TIP3A 909 21.682 31.540 27.615 1.00 0.00 H -ATOM 2727 H2 TIP3A 909 22.721 31.110 26.602 1.00 0.00 H -ATOM 2728 O1 TIP3A 910 29.571 31.927 35.551 1.00 0.00 O -ATOM 2729 H1 TIP3A 910 29.990 32.207 34.738 1.00 0.00 H -ATOM 2730 H2 TIP3A 910 29.413 32.739 36.033 1.00 0.00 H -ATOM 2731 O1 TIP3A 911 28.713 3.242 3.837 1.00 0.00 O -ATOM 2732 H1 TIP3A 911 28.881 2.302 3.787 1.00 0.00 H -ATOM 2733 H2 TIP3A 911 29.298 3.554 4.528 1.00 0.00 H -ATOM 2734 O1 TIP3A 912 30.386 13.575 0.492 1.00 0.00 O -ATOM 2735 H1 TIP3A 912 30.984 13.013 0.000 1.00 0.00 H -ATOM 2736 H2 TIP3A 912 30.867 13.794 1.291 1.00 0.00 H -ATOM 2737 O1 TIP3A 913 9.261 14.097 14.226 1.00 0.00 O -ATOM 2738 H1 TIP3A 913 8.347 14.369 14.290 1.00 0.00 H -ATOM 2739 H2 TIP3A 913 9.340 13.370 14.845 1.00 0.00 H -ATOM 2740 O1 TIP3A 914 12.887 19.852 34.997 1.00 0.00 O -ATOM 2741 H1 TIP3A 914 13.694 20.339 34.837 1.00 0.00 H -ATOM 2742 H2 TIP3A 914 12.434 20.353 35.676 1.00 0.00 H -ATOM 2743 O1 TIP3A 915 36.937 3.870 2.219 1.00 0.00 O -ATOM 2744 H1 TIP3A 915 37.146 3.044 1.783 1.00 0.00 H -ATOM 2745 H2 TIP3A 915 36.024 4.041 1.985 1.00 0.00 H -ATOM 2746 O1 TIP3A 916 5.042 6.369 0.697 1.00 0.00 O -ATOM 2747 H1 TIP3A 916 4.168 6.676 0.458 1.00 0.00 H -ATOM 2748 H2 TIP3A 916 5.282 5.759 0.000 1.00 0.00 H -ATOM 2749 O1 TIP3A 917 11.730 14.266 30.548 1.00 0.00 O -ATOM 2750 H1 TIP3A 917 12.016 13.702 29.831 1.00 0.00 H -ATOM 2751 H2 TIP3A 917 10.938 13.844 30.883 1.00 0.00 H -ATOM 2752 O1 TIP3A 918 10.334 15.425 34.575 1.00 0.00 O -ATOM 2753 H1 TIP3A 918 10.334 15.587 35.518 1.00 0.00 H -ATOM 2754 H2 TIP3A 918 10.837 14.617 34.470 1.00 0.00 H -ATOM 2755 O1 TIP3A 919 9.399 26.541 37.778 1.00 0.00 O -ATOM 2756 H1 TIP3A 919 9.677 27.215 38.398 1.00 0.00 H -ATOM 2757 H2 TIP3A 919 8.925 25.904 38.313 1.00 0.00 H -ATOM 2758 O1 TIP3A 920 37.846 23.895 23.983 1.00 0.00 O -ATOM 2759 H1 TIP3A 920 37.012 23.515 23.711 1.00 0.00 H -ATOM 2760 H2 TIP3A 920 37.682 24.838 24.015 1.00 0.00 H -ATOM 2761 O1 TIP3A 921 4.596 36.088 21.501 1.00 0.00 O -ATOM 2762 H1 TIP3A 921 4.883 36.999 21.472 1.00 0.00 H -ATOM 2763 H2 TIP3A 921 5.138 35.644 20.847 1.00 0.00 H -ATOM 2764 O1 TIP3A 922 7.615 2.837 13.129 1.00 0.00 O -ATOM 2765 H1 TIP3A 922 6.826 2.319 13.284 1.00 0.00 H -ATOM 2766 H2 TIP3A 922 8.337 2.246 13.348 1.00 0.00 H -ATOM 2767 O1 TIP3A 923 6.060 15.716 3.042 1.00 0.00 O -ATOM 2768 H1 TIP3A 923 5.997 14.761 3.055 1.00 0.00 H -ATOM 2769 H2 TIP3A 923 6.694 15.923 3.730 1.00 0.00 H -ATOM 2770 O1 TIP3A 924 4.301 20.532 14.183 1.00 0.00 O -ATOM 2771 H1 TIP3A 924 4.189 20.157 15.056 1.00 0.00 H -ATOM 2772 H2 TIP3A 924 3.910 19.888 13.592 1.00 0.00 H -ATOM 2773 O1 TIP3A 925 11.251 31.533 35.369 1.00 0.00 O -ATOM 2774 H1 TIP3A 925 11.995 32.054 35.068 1.00 0.00 H -ATOM 2775 H2 TIP3A 925 11.585 30.636 35.406 1.00 0.00 H -ATOM 2776 O1 TIP3A 926 6.481 35.284 18.555 1.00 0.00 O -ATOM 2777 H1 TIP3A 926 5.824 35.979 18.582 1.00 0.00 H -ATOM 2778 H2 TIP3A 926 6.163 34.629 19.178 1.00 0.00 H -ATOM 2779 O1 TIP3A 927 1.541 0.502 22.922 1.00 0.00 O -ATOM 2780 H1 TIP3A 927 1.119 0.117 22.155 1.00 0.00 H -ATOM 2781 H2 TIP3A 927 2.449 0.645 22.650 1.00 0.00 H -ATOM 2782 O1 TIP3A 928 22.178 7.900 21.176 1.00 0.00 O -ATOM 2783 H1 TIP3A 928 22.241 6.992 21.470 1.00 0.00 H -ATOM 2784 H2 TIP3A 928 22.240 7.849 20.222 1.00 0.00 H -ATOM 2785 O1 TIP3A 929 15.591 7.509 24.743 1.00 0.00 O -ATOM 2786 H1 TIP3A 929 14.887 8.151 24.656 1.00 0.00 H -ATOM 2787 H2 TIP3A 929 15.201 6.790 25.240 1.00 0.00 H -ATOM 2788 O1 TIP3A 930 1.103 28.032 6.117 1.00 0.00 O -ATOM 2789 H1 TIP3A 930 2.045 28.180 6.043 1.00 0.00 H -ATOM 2790 H2 TIP3A 930 0.798 28.722 6.707 1.00 0.00 H -ATOM 2791 O1 TIP3A 931 14.467 10.131 4.794 1.00 0.00 O -ATOM 2792 H1 TIP3A 931 14.378 9.180 4.737 1.00 0.00 H -ATOM 2793 H2 TIP3A 931 15.337 10.269 5.170 1.00 0.00 H -ATOM 2794 O1 TIP3A 932 5.659 6.506 18.701 1.00 0.00 O -ATOM 2795 H1 TIP3A 932 6.030 7.327 19.021 1.00 0.00 H -ATOM 2796 H2 TIP3A 932 4.715 6.601 18.831 1.00 0.00 H -ATOM 2797 O1 TIP3A 933 6.598 25.092 34.728 1.00 0.00 O -ATOM 2798 H1 TIP3A 933 6.558 26.044 34.807 1.00 0.00 H -ATOM 2799 H2 TIP3A 933 7.533 24.887 34.764 1.00 0.00 H -ATOM 2800 O1 TIP3A 934 33.576 38.194 26.750 1.00 0.00 O -ATOM 2801 H1 TIP3A 934 34.440 38.397 27.107 1.00 0.00 H -ATOM 2802 H2 TIP3A 934 33.754 37.637 25.992 1.00 0.00 H -ATOM 2803 O1 TIP3A 935 6.298 18.434 17.087 1.00 0.00 O -ATOM 2804 H1 TIP3A 935 5.907 17.875 17.758 1.00 0.00 H -ATOM 2805 H2 TIP3A 935 5.950 18.096 16.261 1.00 0.00 H -ATOM 2806 O1 TIP3A 936 35.616 21.002 0.630 1.00 0.00 O -ATOM 2807 H1 TIP3A 936 35.538 20.049 0.632 1.00 0.00 H -ATOM 2808 H2 TIP3A 936 36.287 21.190 1.287 1.00 0.00 H -ATOM 2809 O1 TIP3A 937 29.354 22.854 25.750 1.00 0.00 O -ATOM 2810 H1 TIP3A 937 28.527 22.409 25.933 1.00 0.00 H -ATOM 2811 H2 TIP3A 937 29.179 23.374 24.965 1.00 0.00 H -ATOM 2812 O1 TIP3A 938 24.821 15.768 21.425 1.00 0.00 O -ATOM 2813 H1 TIP3A 938 24.015 16.094 21.823 1.00 0.00 H -ATOM 2814 H2 TIP3A 938 25.140 15.105 22.038 1.00 0.00 H -ATOM 2815 O1 TIP3A 939 3.999 33.991 17.126 1.00 0.00 O -ATOM 2816 H1 TIP3A 939 3.105 34.331 17.106 1.00 0.00 H -ATOM 2817 H2 TIP3A 939 4.347 34.276 17.971 1.00 0.00 H -ATOM 2818 O1 TIP3A 940 1.082 21.881 11.741 1.00 0.00 O -ATOM 2819 H1 TIP3A 940 0.188 21.852 11.403 1.00 0.00 H -ATOM 2820 H2 TIP3A 940 1.014 22.373 12.560 1.00 0.00 H -ATOM 2821 O1 TIP3A 941 26.130 33.787 35.701 1.00 0.00 O -ATOM 2822 H1 TIP3A 941 26.532 32.919 35.683 1.00 0.00 H -ATOM 2823 H2 TIP3A 941 26.645 34.277 36.343 1.00 0.00 H -ATOM 2824 O1 TIP3A 942 33.315 23.971 29.460 1.00 0.00 O -ATOM 2825 H1 TIP3A 942 33.490 23.144 29.907 1.00 0.00 H -ATOM 2826 H2 TIP3A 942 34.180 24.297 29.209 1.00 0.00 H -ATOM 2827 O1 TIP3A 943 37.959 12.996 33.290 1.00 0.00 O -ATOM 2828 H1 TIP3A 943 38.398 12.862 32.451 1.00 0.00 H -ATOM 2829 H2 TIP3A 943 38.399 13.754 33.674 1.00 0.00 H -ATOM 2830 O1 TIP3A 944 25.269 25.413 1.664 1.00 0.00 O -ATOM 2831 H1 TIP3A 944 24.949 24.513 1.635 1.00 0.00 H -ATOM 2832 H2 TIP3A 944 25.948 25.405 2.339 1.00 0.00 H -ATOM 2833 O1 TIP3A 945 29.744 32.616 1.094 1.00 0.00 O -ATOM 2834 H1 TIP3A 945 30.363 33.081 1.655 1.00 0.00 H -ATOM 2835 H2 TIP3A 945 29.188 33.304 0.727 1.00 0.00 H -ATOM 2836 O1 TIP3A 946 26.406 11.943 21.922 1.00 0.00 O -ATOM 2837 H1 TIP3A 946 27.263 11.594 22.165 1.00 0.00 H -ATOM 2838 H2 TIP3A 946 26.494 12.891 22.025 1.00 0.00 H -ATOM 2839 O1 TIP3A 947 30.186 29.449 6.509 1.00 0.00 O -ATOM 2840 H1 TIP3A 947 30.302 29.277 7.443 1.00 0.00 H -ATOM 2841 H2 TIP3A 947 29.865 30.351 6.469 1.00 0.00 H -ATOM 2842 O1 TIP3A 948 1.954 26.531 25.069 1.00 0.00 O -ATOM 2843 H1 TIP3A 948 1.075 26.241 24.830 1.00 0.00 H -ATOM 2844 H2 TIP3A 948 2.404 26.650 24.232 1.00 0.00 H -ATOM 2845 O1 TIP3A 949 21.281 33.982 35.214 1.00 0.00 O -ATOM 2846 H1 TIP3A 949 21.734 34.693 34.762 1.00 0.00 H -ATOM 2847 H2 TIP3A 949 21.259 34.258 36.131 1.00 0.00 H -ATOM 2848 O1 TIP3A 950 10.717 36.511 37.395 1.00 0.00 O -ATOM 2849 H1 TIP3A 950 11.289 35.788 37.651 1.00 0.00 H -ATOM 2850 H2 TIP3A 950 10.536 36.358 36.467 1.00 0.00 H -ATOM 2851 O1 TIP3A 951 34.435 2.658 19.156 1.00 0.00 O -ATOM 2852 H1 TIP3A 951 35.269 2.202 19.260 1.00 0.00 H -ATOM 2853 H2 TIP3A 951 33.974 2.508 19.981 1.00 0.00 H -ATOM 2854 O1 TIP3A 952 34.369 1.285 21.770 1.00 0.00 O -ATOM 2855 H1 TIP3A 952 34.574 0.359 21.897 1.00 0.00 H -ATOM 2856 H2 TIP3A 952 33.959 1.555 22.592 1.00 0.00 H -ATOM 2857 O1 TIP3A 953 19.132 6.102 37.091 1.00 0.00 O -ATOM 2858 H1 TIP3A 953 18.859 5.894 36.199 1.00 0.00 H -ATOM 2859 H2 TIP3A 953 18.329 6.388 37.528 1.00 0.00 H -ATOM 2860 O1 TIP3A 954 0.577 37.584 18.574 1.00 0.00 O -ATOM 2861 H1 TIP3A 954 0.349 38.400 18.131 1.00 0.00 H -ATOM 2862 H2 TIP3A 954 0.103 36.907 18.090 1.00 0.00 H -ATOM 2863 O1 TIP3A 955 20.067 37.860 8.284 1.00 0.00 O -ATOM 2864 H1 TIP3A 955 19.293 38.394 8.457 1.00 0.00 H -ATOM 2865 H2 TIP3A 955 19.887 37.027 8.720 1.00 0.00 H -ATOM 2866 O1 TIP3A 956 3.355 15.657 19.848 1.00 0.00 O -ATOM 2867 H1 TIP3A 956 4.265 15.953 19.858 1.00 0.00 H -ATOM 2868 H2 TIP3A 956 2.961 16.119 19.108 1.00 0.00 H -ATOM 2869 O1 TIP3A 957 30.501 29.266 37.902 1.00 0.00 O -ATOM 2870 H1 TIP3A 957 31.148 29.765 38.399 1.00 0.00 H -ATOM 2871 H2 TIP3A 957 30.390 28.455 38.399 1.00 0.00 H -ATOM 2872 O1 TIP3A 958 32.124 9.583 36.340 1.00 0.00 O -ATOM 2873 H1 TIP3A 958 31.934 9.244 35.466 1.00 0.00 H -ATOM 2874 H2 TIP3A 958 31.271 9.621 36.774 1.00 0.00 H -ATOM 2875 O1 TIP3A 959 18.706 35.242 7.535 1.00 0.00 O -ATOM 2876 H1 TIP3A 959 18.881 35.087 8.462 1.00 0.00 H -ATOM 2877 H2 TIP3A 959 17.784 35.008 7.422 1.00 0.00 H -ATOM 2878 O1 TIP3A 960 4.211 30.727 17.887 1.00 0.00 O -ATOM 2879 H1 TIP3A 960 4.990 31.283 17.874 1.00 0.00 H -ATOM 2880 H2 TIP3A 960 3.642 31.127 18.546 1.00 0.00 H -ATOM 2881 O1 TIP3A 961 0.497 26.372 7.558 1.00 0.00 O -ATOM 2882 H1 TIP3A 961 1.146 26.140 8.220 1.00 0.00 H -ATOM 2883 H2 TIP3A 961 0.000 27.091 7.950 1.00 0.00 H -ATOM 2884 O1 TIP3A 962 11.667 10.594 17.860 1.00 0.00 O -ATOM 2885 H1 TIP3A 962 11.523 11.135 17.084 1.00 0.00 H -ATOM 2886 H2 TIP3A 962 12.182 9.851 17.543 1.00 0.00 H -ATOM 2887 O1 TIP3A 963 5.110 10.599 13.719 1.00 0.00 O -ATOM 2888 H1 TIP3A 963 5.880 10.091 13.973 1.00 0.00 H -ATOM 2889 H2 TIP3A 963 4.898 11.117 14.497 1.00 0.00 H -ATOM 2890 O1 TIP3A 964 30.331 7.304 10.110 1.00 0.00 O -ATOM 2891 H1 TIP3A 964 30.269 6.398 10.409 1.00 0.00 H -ATOM 2892 H2 TIP3A 964 29.582 7.415 9.523 1.00 0.00 H -ATOM 2893 O1 TIP3A 965 9.440 1.108 23.156 1.00 0.00 O -ATOM 2894 H1 TIP3A 965 9.110 1.881 22.699 1.00 0.00 H -ATOM 2895 H2 TIP3A 965 8.689 0.785 23.655 1.00 0.00 H -ATOM 2896 O1 TIP3A 966 9.842 23.956 7.160 1.00 0.00 O -ATOM 2897 H1 TIP3A 966 9.944 24.875 6.917 1.00 0.00 H -ATOM 2898 H2 TIP3A 966 10.730 23.597 7.119 1.00 0.00 H -ATOM 2899 O1 TIP3A 967 23.188 29.701 8.946 1.00 0.00 O -ATOM 2900 H1 TIP3A 967 24.002 29.247 9.161 1.00 0.00 H -ATOM 2901 H2 TIP3A 967 23.158 30.441 9.554 1.00 0.00 H -ATOM 2902 O1 TIP3A 968 34.585 30.361 19.752 1.00 0.00 O -ATOM 2903 H1 TIP3A 968 35.318 30.708 20.261 1.00 0.00 H -ATOM 2904 H2 TIP3A 968 33.983 31.101 19.664 1.00 0.00 H -ATOM 2905 O1 TIP3A 969 36.277 38.312 15.338 1.00 0.00 O -ATOM 2906 H1 TIP3A 969 36.472 38.400 16.270 1.00 0.00 H -ATOM 2907 H2 TIP3A 969 35.458 37.816 15.310 1.00 0.00 H -ATOM 2908 O1 TIP3A 970 28.008 8.218 3.407 1.00 0.00 O -ATOM 2909 H1 TIP3A 970 27.368 7.787 2.842 1.00 0.00 H -ATOM 2910 H2 TIP3A 970 27.487 8.800 3.961 1.00 0.00 H -ATOM 2911 O1 TIP3A 971 14.050 27.837 30.881 1.00 0.00 O -ATOM 2912 H1 TIP3A 971 13.925 27.180 30.198 1.00 0.00 H -ATOM 2913 H2 TIP3A 971 15.000 27.901 30.984 1.00 0.00 H -ATOM 2914 O1 TIP3A 972 29.823 3.658 13.470 1.00 0.00 O -ATOM 2915 H1 TIP3A 972 29.531 3.543 14.374 1.00 0.00 H -ATOM 2916 H2 TIP3A 972 30.443 4.387 13.510 1.00 0.00 H -ATOM 2917 O1 TIP3A 973 2.309 24.528 13.314 1.00 0.00 O -ATOM 2918 H1 TIP3A 973 1.391 24.727 13.132 1.00 0.00 H -ATOM 2919 H2 TIP3A 973 2.282 23.720 13.828 1.00 0.00 H -ATOM 2920 O1 TIP3A 974 6.991 32.075 38.081 1.00 0.00 O -ATOM 2921 H1 TIP3A 974 7.619 32.788 38.188 1.00 0.00 H -ATOM 2922 H2 TIP3A 974 6.233 32.483 37.661 1.00 0.00 H -ATOM 2923 O1 TIP3A 975 35.687 36.929 28.802 1.00 0.00 O -ATOM 2924 H1 TIP3A 975 35.981 37.052 27.900 1.00 0.00 H -ATOM 2925 H2 TIP3A 975 35.278 37.763 29.037 1.00 0.00 H -ATOM 2926 O1 TIP3A 976 10.845 6.573 22.345 1.00 0.00 O -ATOM 2927 H1 TIP3A 976 11.540 7.211 22.504 1.00 0.00 H -ATOM 2928 H2 TIP3A 976 11.258 5.898 21.805 1.00 0.00 H -ATOM 2929 O1 TIP3A 977 15.834 34.259 0.689 1.00 0.00 O -ATOM 2930 H1 TIP3A 977 15.775 33.408 0.257 1.00 0.00 H -ATOM 2931 H2 TIP3A 977 15.632 34.893 0.000 1.00 0.00 H -ATOM 2932 O1 TIP3A 978 30.716 27.996 33.105 1.00 0.00 O -ATOM 2933 H1 TIP3A 978 31.597 28.167 33.436 1.00 0.00 H -ATOM 2934 H2 TIP3A 978 30.158 28.615 33.576 1.00 0.00 H -ATOM 2935 O1 TIP3A 979 36.740 25.383 31.866 1.00 0.00 O -ATOM 2936 H1 TIP3A 979 35.995 25.172 32.427 1.00 0.00 H -ATOM 2937 H2 TIP3A 979 36.722 26.337 31.792 1.00 0.00 H -ATOM 2938 O1 TIP3A 980 5.227 0.290 6.062 1.00 0.00 O -ATOM 2939 H1 TIP3A 980 4.429 0.001 5.622 1.00 0.00 H -ATOM 2940 H2 TIP3A 980 5.936 0.001 5.486 1.00 0.00 H -ATOM 2941 O1 TIP3A 981 20.796 11.986 28.053 1.00 0.00 O -ATOM 2942 H1 TIP3A 981 20.123 12.416 28.579 1.00 0.00 H -ATOM 2943 H2 TIP3A 981 20.765 12.436 27.208 1.00 0.00 H -ATOM 2944 O1 TIP3A 982 5.686 12.618 26.455 1.00 0.00 O -ATOM 2945 H1 TIP3A 982 6.277 12.093 25.916 1.00 0.00 H -ATOM 2946 H2 TIP3A 982 5.712 13.490 26.061 1.00 0.00 H -ATOM 2947 O1 TIP3A 983 35.641 4.814 34.816 1.00 0.00 O -ATOM 2948 H1 TIP3A 983 36.145 4.011 34.691 1.00 0.00 H -ATOM 2949 H2 TIP3A 983 34.948 4.768 34.156 1.00 0.00 H -ATOM 2950 O1 TIP3A 984 4.058 0.328 20.016 1.00 0.00 O -ATOM 2951 H1 TIP3A 984 3.160 0.001 20.016 1.00 0.00 H -ATOM 2952 H2 TIP3A 984 4.056 1.038 19.373 1.00 0.00 H -ATOM 2953 O1 TIP3A 985 4.775 35.741 26.805 1.00 0.00 O -ATOM 2954 H1 TIP3A 985 4.801 34.874 27.209 1.00 0.00 H -ATOM 2955 H2 TIP3A 985 4.454 35.583 25.917 1.00 0.00 H -ATOM 2956 O1 TIP3A 986 17.258 10.010 34.020 1.00 0.00 O -ATOM 2957 H1 TIP3A 986 16.543 9.846 34.634 1.00 0.00 H -ATOM 2958 H2 TIP3A 986 18.045 9.732 34.489 1.00 0.00 H -ATOM 2959 O1 TIP3A 987 35.468 10.774 7.186 1.00 0.00 O -ATOM 2960 H1 TIP3A 987 35.958 9.955 7.249 1.00 0.00 H -ATOM 2961 H2 TIP3A 987 35.811 11.315 7.898 1.00 0.00 H -ATOM 2962 O1 TIP3A 988 24.305 29.597 19.468 1.00 0.00 O -ATOM 2963 H1 TIP3A 988 25.041 29.577 20.078 1.00 0.00 H -ATOM 2964 H2 TIP3A 988 23.997 30.503 19.492 1.00 0.00 H -ATOM 2965 O1 TIP3A 989 20.709 2.589 26.005 1.00 0.00 O -ATOM 2966 H1 TIP3A 989 19.976 2.025 26.250 1.00 0.00 H -ATOM 2967 H2 TIP3A 989 21.390 2.390 26.648 1.00 0.00 H -ATOM 2968 O1 TIP3A 990 19.327 6.160 13.058 1.00 0.00 O -ATOM 2969 H1 TIP3A 990 19.898 6.774 12.598 1.00 0.00 H -ATOM 2970 H2 TIP3A 990 18.443 6.497 12.911 1.00 0.00 H -ATOM 2971 O1 TIP3A 991 19.894 30.895 8.011 1.00 0.00 O -ATOM 2972 H1 TIP3A 991 20.036 30.032 7.623 1.00 0.00 H -ATOM 2973 H2 TIP3A 991 20.497 30.925 8.755 1.00 0.00 H -ATOM 2974 O1 TIP3A 992 31.899 24.506 22.660 1.00 0.00 O -ATOM 2975 H1 TIP3A 992 32.690 23.969 22.674 1.00 0.00 H -ATOM 2976 H2 TIP3A 992 32.063 25.193 23.307 1.00 0.00 H -ATOM 2977 O1 TIP3A 993 31.255 1.221 37.923 1.00 0.00 O -ATOM 2978 H1 TIP3A 993 31.699 1.882 37.393 1.00 0.00 H -ATOM 2979 H2 TIP3A 993 30.395 1.124 37.513 1.00 0.00 H -ATOM 2980 O1 TIP3A 994 15.308 30.359 11.950 1.00 0.00 O -ATOM 2981 H1 TIP3A 994 15.934 29.654 12.112 1.00 0.00 H -ATOM 2982 H2 TIP3A 994 14.642 29.964 11.387 1.00 0.00 H -ATOM 2983 O1 TIP3A 995 35.935 28.109 7.776 1.00 0.00 O -ATOM 2984 H1 TIP3A 995 35.293 27.422 7.956 1.00 0.00 H -ATOM 2985 H2 TIP3A 995 36.656 27.927 8.379 1.00 0.00 H -ATOM 2986 O1 TIP3A 996 36.242 0.831 24.381 1.00 0.00 O -ATOM 2987 H1 TIP3A 996 35.912 1.041 23.508 1.00 0.00 H -ATOM 2988 H2 TIP3A 996 36.704 0.000 24.270 1.00 0.00 H -ATOM 2989 O1 TIP3A 997 9.040 16.885 33.570 1.00 0.00 O -ATOM 2990 H1 TIP3A 997 9.652 17.531 33.921 1.00 0.00 H -ATOM 2991 H2 TIP3A 997 8.174 17.237 33.777 1.00 0.00 H -ATOM 2992 O1 TIP3A 998 37.761 26.075 3.990 1.00 0.00 O -ATOM 2993 H1 TIP3A 998 38.400 25.944 4.690 1.00 0.00 H -ATOM 2994 H2 TIP3A 998 37.371 26.929 4.178 1.00 0.00 H -ATOM 2995 O1 TIP3A 999 13.885 11.204 17.138 1.00 0.00 O -ATOM 2996 H1 TIP3A 999 14.714 10.768 16.944 1.00 0.00 H -ATOM 2997 H2 TIP3A 999 14.124 11.930 17.715 1.00 0.00 H -ATOM 2998 O1 TIP3A1000 5.311 28.291 7.336 1.00 0.00 O -ATOM 2999 H1 TIP3A1000 5.250 29.219 7.114 1.00 0.00 H -ATOM 3000 H2 TIP3A1000 5.937 28.258 8.061 1.00 0.00 H -ATOM 3001 O1 TIP3A1001 28.707 37.925 20.259 1.00 0.00 O -ATOM 3002 H1 TIP3A1001 28.519 37.031 19.975 1.00 0.00 H -ATOM 3003 H2 TIP3A1001 27.888 38.400 20.115 1.00 0.00 H -ATOM 3004 O1 TIP3A1002 31.036 6.600 18.690 1.00 0.00 O -ATOM 3005 H1 TIP3A1002 31.905 6.242 18.867 1.00 0.00 H -ATOM 3006 H2 TIP3A1002 30.435 5.880 18.888 1.00 0.00 H -ATOM 3007 O1 TIP3A1003 14.806 5.402 5.220 1.00 0.00 O -ATOM 3008 H1 TIP3A1003 15.391 5.017 4.569 1.00 0.00 H -ATOM 3009 H2 TIP3A1003 13.953 5.437 4.786 1.00 0.00 H -ATOM 3010 O1 TIP3A1004 34.785 33.398 19.958 1.00 0.00 O -ATOM 3011 H1 TIP3A1004 34.927 34.313 19.716 1.00 0.00 H -ATOM 3012 H2 TIP3A1004 35.237 32.897 19.280 1.00 0.00 H -ATOM 3013 O1 TIP3A1005 17.672 16.890 4.225 1.00 0.00 O -ATOM 3014 H1 TIP3A1005 18.292 17.619 4.221 1.00 0.00 H -ATOM 3015 H2 TIP3A1005 17.039 17.117 4.908 1.00 0.00 H -ATOM 3016 O1 TIP3A1006 8.543 31.889 0.801 1.00 0.00 O -ATOM 3017 H1 TIP3A1006 8.482 32.408 -0.001 1.00 0.00 H -ATOM 3018 H2 TIP3A1006 8.116 31.060 0.583 1.00 0.00 H -ATOM 3019 O1 TIP3A1007 27.725 4.956 21.349 1.00 0.00 O -ATOM 3020 H1 TIP3A1007 27.272 5.789 21.475 1.00 0.00 H -ATOM 3021 H2 TIP3A1007 28.653 5.168 21.454 1.00 0.00 H -ATOM 3022 O1 TIP3A1008 30.937 27.229 27.030 1.00 0.00 O -ATOM 3023 H1 TIP3A1008 31.822 27.584 26.960 1.00 0.00 H -ATOM 3024 H2 TIP3A1008 30.390 27.987 27.240 1.00 0.00 H -ATOM 3025 O1 TIP3A1009 33.071 35.987 28.730 1.00 0.00 O -ATOM 3026 H1 TIP3A1009 32.720 35.100 28.806 1.00 0.00 H -ATOM 3027 H2 TIP3A1009 33.773 36.023 29.380 1.00 0.00 H -ATOM 3028 O1 TIP3A1010 31.647 9.748 28.025 1.00 0.00 O -ATOM 3029 H1 TIP3A1010 32.028 10.412 27.451 1.00 0.00 H -ATOM 3030 H2 TIP3A1010 31.066 10.239 28.607 1.00 0.00 H -ATOM 3031 O1 TIP3A1011 32.777 0.778 14.116 1.00 0.00 O -ATOM 3032 H1 TIP3A1011 32.573 1.445 13.461 1.00 0.00 H -ATOM 3033 H2 TIP3A1011 32.787 1.252 14.947 1.00 0.00 H -ATOM 3034 O1 TIP3A1012 5.972 10.532 22.440 1.00 0.00 O -ATOM 3035 H1 TIP3A1012 6.241 10.956 23.254 1.00 0.00 H -ATOM 3036 H2 TIP3A1012 5.265 9.941 22.699 1.00 0.00 H -ATOM 3037 O1 TIP3A1013 25.475 19.020 9.969 1.00 0.00 O -ATOM 3038 H1 TIP3A1013 26.366 18.677 9.915 1.00 0.00 H -ATOM 3039 H2 TIP3A1013 25.549 19.794 10.529 1.00 0.00 H -ATOM 3040 O1 TIP3A1014 10.094 7.970 31.789 1.00 0.00 O -ATOM 3041 H1 TIP3A1014 10.908 8.203 32.235 1.00 0.00 H -ATOM 3042 H2 TIP3A1014 9.853 7.120 32.158 1.00 0.00 H -ATOM 3043 O1 TIP3A1015 17.819 14.935 29.510 1.00 0.00 O -ATOM 3044 H1 TIP3A1015 17.154 14.353 29.875 1.00 0.00 H -ATOM 3045 H2 TIP3A1015 17.331 15.525 28.934 1.00 0.00 H -ATOM 3046 O1 TIP3A1016 24.642 18.820 35.319 1.00 0.00 O -ATOM 3047 H1 TIP3A1016 24.143 19.636 35.320 1.00 0.00 H -ATOM 3048 H2 TIP3A1016 24.297 18.326 36.063 1.00 0.00 H -ATOM 3049 O1 TIP3A1017 26.605 14.404 9.800 1.00 0.00 O -ATOM 3050 H1 TIP3A1017 26.190 15.260 9.700 1.00 0.00 H -ATOM 3051 H2 TIP3A1017 27.520 14.551 9.559 1.00 0.00 H -ATOM 3052 O1 TIP3A1018 36.226 32.722 10.819 1.00 0.00 O -ATOM 3053 H1 TIP3A1018 36.728 31.908 10.787 1.00 0.00 H -ATOM 3054 H2 TIP3A1018 35.512 32.588 10.195 1.00 0.00 H -ATOM 3055 O1 TIP3A1019 34.782 3.872 8.940 1.00 0.00 O -ATOM 3056 H1 TIP3A1019 34.622 2.931 8.881 1.00 0.00 H -ATOM 3057 H2 TIP3A1019 34.193 4.256 8.290 1.00 0.00 H -ATOM 3058 O1 TIP3A1020 5.755 14.893 11.367 1.00 0.00 O -ATOM 3059 H1 TIP3A1020 6.492 15.133 10.806 1.00 0.00 H -ATOM 3060 H2 TIP3A1020 6.129 14.842 12.247 1.00 0.00 H -ATOM 3061 O1 TIP3A1021 7.791 11.115 8.370 1.00 0.00 O -ATOM 3062 H1 TIP3A1021 7.090 10.464 8.354 1.00 0.00 H -ATOM 3063 H2 TIP3A1021 8.398 10.798 9.040 1.00 0.00 H -ATOM 3064 O1 TIP3A1022 28.509 22.842 28.662 1.00 0.00 O -ATOM 3065 H1 TIP3A1022 28.674 22.080 28.107 1.00 0.00 H -ATOM 3066 H2 TIP3A1022 27.623 23.122 28.428 1.00 0.00 H -ATOM 3067 O1 TIP3A1023 35.138 25.529 17.516 1.00 0.00 O -ATOM 3068 H1 TIP3A1023 34.924 25.685 16.597 1.00 0.00 H -ATOM 3069 H2 TIP3A1023 34.419 25.935 18.002 1.00 0.00 H -ATOM 3070 O1 TIP3A1024 15.916 17.500 37.699 1.00 0.00 O -ATOM 3071 H1 TIP3A1024 16.287 18.116 37.067 1.00 0.00 H -ATOM 3072 H2 TIP3A1024 15.860 16.671 37.222 1.00 0.00 H -ATOM 3073 O1 TIP3A1025 19.351 31.953 13.027 1.00 0.00 O -ATOM 3074 H1 TIP3A1025 19.641 32.599 13.670 1.00 0.00 H -ATOM 3075 H2 TIP3A1025 19.222 32.456 12.222 1.00 0.00 H -ATOM 3076 O1 TIP3A1026 9.470 7.893 13.606 1.00 0.00 O -ATOM 3077 H1 TIP3A1026 10.220 8.448 13.397 1.00 0.00 H -ATOM 3078 H2 TIP3A1026 8.924 8.433 14.178 1.00 0.00 H -ATOM 3079 O1 TIP3A1027 5.477 31.098 20.163 1.00 0.00 O -ATOM 3080 H1 TIP3A1027 6.185 30.659 20.634 1.00 0.00 H -ATOM 3081 H2 TIP3A1027 5.883 31.882 19.793 1.00 0.00 H -ATOM 3082 O1 TIP3A1028 7.960 25.035 10.653 1.00 0.00 O -ATOM 3083 H1 TIP3A1028 8.578 25.091 11.381 1.00 0.00 H -ATOM 3084 H2 TIP3A1028 8.039 24.133 10.340 1.00 0.00 H -ATOM 3085 O1 TIP3A1029 7.832 31.403 35.761 1.00 0.00 O -ATOM 3086 H1 TIP3A1029 7.566 30.521 36.018 1.00 0.00 H -ATOM 3087 H2 TIP3A1029 8.455 31.672 36.437 1.00 0.00 H -ATOM 3088 O1 TIP3A1030 21.772 20.476 19.156 1.00 0.00 O -ATOM 3089 H1 TIP3A1030 21.070 20.431 19.803 1.00 0.00 H -ATOM 3090 H2 TIP3A1030 22.249 19.653 19.261 1.00 0.00 H -ATOM 3091 O1 TIP3A1031 15.320 21.881 38.415 1.00 0.00 O -ATOM 3092 H1 TIP3A1031 15.210 22.774 38.091 1.00 0.00 H -ATOM 3093 H2 TIP3A1031 16.236 21.669 38.231 1.00 0.00 H -ATOM 3094 O1 TIP3A1032 27.279 11.548 18.124 1.00 0.00 O -ATOM 3095 H1 TIP3A1032 27.391 10.618 17.933 1.00 0.00 H -ATOM 3096 H2 TIP3A1032 26.390 11.749 17.830 1.00 0.00 H -ATOM 3097 O1 TIP3A1033 2.034 12.360 5.784 1.00 0.00 O -ATOM 3098 H1 TIP3A1033 2.274 13.240 6.071 1.00 0.00 H -ATOM 3099 H2 TIP3A1033 2.650 11.783 6.237 1.00 0.00 H -ATOM 3100 O1 TIP3A1034 27.987 10.820 5.599 1.00 0.00 O -ATOM 3101 H1 TIP3A1034 27.699 11.669 5.264 1.00 0.00 H -ATOM 3102 H2 TIP3A1034 27.759 10.839 6.529 1.00 0.00 H -ATOM 3103 O1 TIP3A1035 13.211 14.135 10.393 1.00 0.00 O -ATOM 3104 H1 TIP3A1035 13.185 15.082 10.258 1.00 0.00 H -ATOM 3105 H2 TIP3A1035 14.134 13.940 10.555 1.00 0.00 H -ATOM 3106 O1 TIP3A1036 3.243 0.841 13.741 1.00 0.00 O -ATOM 3107 H1 TIP3A1036 3.638 1.500 13.172 1.00 0.00 H -ATOM 3108 H2 TIP3A1036 3.518 0.003 13.367 1.00 0.00 H -ATOM 3109 O1 TIP3A1037 28.707 4.463 -0.041 1.00 0.00 O -ATOM 3110 H1 TIP3A1037 29.642 4.636 0.057 1.00 0.00 H -ATOM 3111 H2 TIP3A1037 28.369 4.450 0.855 1.00 0.00 H -ATOM 3112 O1 TIP3A1038 19.446 2.702 35.194 1.00 0.00 O -ATOM 3113 H1 TIP3A1038 18.740 3.345 35.267 1.00 0.00 H -ATOM 3114 H2 TIP3A1038 20.244 3.203 35.365 1.00 0.00 H -ATOM 3115 O1 TIP3A1039 16.725 10.544 26.183 1.00 0.00 O -ATOM 3116 H1 TIP3A1039 16.465 10.605 27.102 1.00 0.00 H -ATOM 3117 H2 TIP3A1039 16.873 9.609 26.037 1.00 0.00 H -ATOM 3118 O1 TIP3A1040 35.768 34.660 26.813 1.00 0.00 O -ATOM 3119 H1 TIP3A1040 35.114 35.346 26.683 1.00 0.00 H -ATOM 3120 H2 TIP3A1040 35.991 34.370 25.928 1.00 0.00 H -ATOM 3121 O1 TIP3A1041 32.310 17.650 6.230 1.00 0.00 O -ATOM 3122 H1 TIP3A1041 32.860 18.354 6.572 1.00 0.00 H -ATOM 3123 H2 TIP3A1041 31.517 17.682 6.766 1.00 0.00 H -ATOM 3124 O1 TIP3A1042 36.862 23.530 19.959 1.00 0.00 O -ATOM 3125 H1 TIP3A1042 37.793 23.732 19.876 1.00 0.00 H -ATOM 3126 H2 TIP3A1042 36.794 23.033 20.774 1.00 0.00 H -ATOM 3127 O1 TIP3A1043 7.019 36.221 36.313 1.00 0.00 O -ATOM 3128 H1 TIP3A1043 6.831 37.159 36.298 1.00 0.00 H -ATOM 3129 H2 TIP3A1043 7.720 36.106 35.671 1.00 0.00 H -ATOM 3130 O1 TIP3A1044 28.837 20.328 11.136 1.00 0.00 O -ATOM 3131 H1 TIP3A1044 27.989 20.672 11.415 1.00 0.00 H -ATOM 3132 H2 TIP3A1044 28.746 20.201 10.192 1.00 0.00 H -ATOM 3133 O1 TIP3A1045 25.158 28.089 0.530 1.00 0.00 O -ATOM 3134 H1 TIP3A1045 24.482 28.765 0.537 1.00 0.00 H -ATOM 3135 H2 TIP3A1045 25.944 28.532 0.853 1.00 0.00 H -ATOM 3136 O1 TIP3A1046 6.965 11.636 34.013 1.00 0.00 O -ATOM 3137 H1 TIP3A1046 7.768 12.090 34.266 1.00 0.00 H -ATOM 3138 H2 TIP3A1046 7.146 11.302 33.134 1.00 0.00 H -ATOM 3139 O1 TIP3A1047 16.086 19.170 13.069 1.00 0.00 O -ATOM 3140 H1 TIP3A1047 16.881 19.697 13.138 1.00 0.00 H -ATOM 3141 H2 TIP3A1047 16.068 18.656 13.877 1.00 0.00 H -ATOM 3142 O1 WAT A1048 13.475 29.094 21.712 1.00 0.00 O -ATOM 3143 H1 WAT A1048 13.765 30.002 21.798 1.00 0.00 H -ATOM 3144 H2 WAT A1048 14.229 28.573 21.985 1.00 0.00 H -ATOM 3145 O1 WAT A1049 30.681 14.171 30.845 1.00 0.00 O -ATOM 3146 H1 WAT A1049 31.231 13.792 30.159 1.00 0.00 H -ATOM 3147 H2 WAT A1049 30.425 15.027 30.503 1.00 0.00 H -ATOM 3148 O1 WAT A1050 28.034 13.554 16.769 1.00 0.00 O -ATOM 3149 H1 WAT A1050 28.045 14.510 16.804 1.00 0.00 H -ATOM 3150 H2 WAT A1050 27.142 13.333 16.501 1.00 0.00 H -ATOM 3151 O1 WAT A1051 22.118 18.272 12.564 1.00 0.00 O -ATOM 3152 H1 WAT A1051 22.856 18.705 12.135 1.00 0.00 H -ATOM 3153 H2 WAT A1051 21.762 17.687 11.897 1.00 0.00 H -ATOM 3154 O1 WAT A1052 7.275 37.013 6.199 1.00 0.00 O -ATOM 3155 H1 WAT A1052 7.145 37.936 6.417 1.00 0.00 H -ATOM 3156 H2 WAT A1052 6.441 36.736 5.820 1.00 0.00 H -ATOM 3157 O1 WAT A1053 19.650 37.819 2.365 1.00 0.00 O -ATOM 3158 H1 WAT A1053 19.240 36.954 2.380 1.00 0.00 H -ATOM 3159 H2 WAT A1053 20.330 37.751 1.696 1.00 0.00 H -ATOM 3160 O1 WAT A1054 22.442 8.213 32.838 1.00 0.00 O -ATOM 3161 H1 WAT A1054 22.005 7.379 32.665 1.00 0.00 H -ATOM 3162 H2 WAT A1054 23.373 7.996 32.861 1.00 0.00 H -ATOM 3163 O1 WAT A1055 34.932 0.284 26.898 1.00 0.00 O -ATOM 3164 H1 WAT A1055 34.009 0.107 27.077 1.00 0.00 H -ATOM 3165 H2 WAT A1055 35.390 0.000 27.689 1.00 0.00 H -ATOM 3166 O1 WAT A1056 12.479 28.400 3.293 1.00 0.00 O -ATOM 3167 H1 WAT A1056 11.671 28.638 2.840 1.00 0.00 H -ATOM 3168 H2 WAT A1056 12.214 28.263 4.202 1.00 0.00 H -ATOM 3169 O1 WAT A1057 26.210 27.933 6.948 1.00 0.00 O -ATOM 3170 H1 WAT A1057 25.571 27.959 7.660 1.00 0.00 H -ATOM 3171 H2 WAT A1057 25.746 27.517 6.223 1.00 0.00 H -ATOM 3172 O1 WAT A1058 34.303 24.780 24.549 1.00 0.00 O -ATOM 3173 H1 WAT A1058 33.490 24.308 24.729 1.00 0.00 H -ATOM 3174 H2 WAT A1058 34.701 24.910 25.409 1.00 0.00 H -ATOM 3175 O1 WAT A1059 32.571 31.228 5.685 1.00 0.00 O -ATOM 3176 H1 WAT A1059 31.938 30.510 5.705 1.00 0.00 H -ATOM 3177 H2 WAT A1059 33.255 30.962 6.299 1.00 0.00 H -ATOM 3178 O1 WAT A1060 19.151 31.648 3.043 1.00 0.00 O -ATOM 3179 H1 WAT A1060 18.406 32.027 3.510 1.00 0.00 H -ATOM 3180 H2 WAT A1060 18.982 30.707 3.045 1.00 0.00 H -ATOM 3181 O1 WAT A1061 14.686 6.789 10.887 1.00 0.00 O -ATOM 3182 H1 WAT A1061 14.599 7.253 11.720 1.00 0.00 H -ATOM 3183 H2 WAT A1061 14.002 7.163 10.332 1.00 0.00 H -ATOM 3184 O1 WAT A1062 20.315 19.970 11.130 1.00 0.00 O -ATOM 3185 H1 WAT A1062 20.415 19.306 10.448 1.00 0.00 H -ATOM 3186 H2 WAT A1062 19.405 19.889 11.413 1.00 0.00 H -ATOM 3187 O1 WAT A1063 14.566 12.568 28.813 1.00 0.00 O -ATOM 3188 H1 WAT A1063 13.739 12.110 28.659 1.00 0.00 H -ATOM 3189 H2 WAT A1063 14.308 13.410 29.186 1.00 0.00 H -ATOM 3190 O1 WAT A1064 28.693 27.966 18.594 1.00 0.00 O -ATOM 3191 H1 WAT A1064 29.644 28.040 18.667 1.00 0.00 H -ATOM 3192 H2 WAT A1064 28.402 28.844 18.350 1.00 0.00 H -ATOM 3193 O1 WAT A1065 26.606 7.681 7.804 1.00 0.00 O -ATOM 3194 H1 WAT A1065 25.811 7.353 8.225 1.00 0.00 H -ATOM 3195 H2 WAT A1065 27.143 8.006 8.526 1.00 0.00 H -ATOM 3196 O1 WAT A1066 8.286 21.958 10.117 1.00 0.00 O -ATOM 3197 H1 WAT A1066 7.453 22.119 9.672 1.00 0.00 H -ATOM 3198 H2 WAT A1066 8.368 21.005 10.136 1.00 0.00 H -ATOM 3199 O1 WAT A1067 14.466 37.923 4.013 1.00 0.00 O -ATOM 3200 H1 WAT A1067 14.562 38.399 3.188 1.00 0.00 H -ATOM 3201 H2 WAT A1067 13.784 38.398 4.487 1.00 0.00 H -ATOM 3202 O1 WAT A1068 5.333 32.936 2.242 1.00 0.00 O -ATOM 3203 H1 WAT A1068 4.515 32.605 2.613 1.00 0.00 H -ATOM 3204 H2 WAT A1068 5.133 33.835 1.981 1.00 0.00 H -ATOM 3205 O1 WAT A1069 14.660 37.327 16.046 1.00 0.00 O -ATOM 3206 H1 WAT A1069 13.813 37.473 15.624 1.00 0.00 H -ATOM 3207 H2 WAT A1069 15.279 37.251 15.321 1.00 0.00 H -ATOM 3208 O1 WAT A1070 24.837 11.119 31.940 1.00 0.00 O -ATOM 3209 H1 WAT A1070 25.224 10.303 32.260 1.00 0.00 H -ATOM 3210 H2 WAT A1070 25.563 11.742 31.931 1.00 0.00 H -ATOM 3211 O1 WAT A1071 6.148 -0.000 14.271 1.00 0.00 O -ATOM 3212 H1 WAT A1071 5.540 0.658 13.934 1.00 0.00 H -ATOM 3213 H2 WAT A1071 6.874 0.001 13.648 1.00 0.00 H -ATOM 3214 O1 WAT A1072 0.438 37.913 29.101 1.00 0.00 O -ATOM 3215 H1 WAT A1072 0.943 38.391 29.759 1.00 0.00 H -ATOM 3216 H2 WAT A1072 1.095 37.568 28.497 1.00 0.00 H -ATOM 3217 O1 WAT A1073 12.892 0.677 23.458 1.00 0.00 O -ATOM 3218 H1 WAT A1073 13.524 1.264 23.041 1.00 0.00 H -ATOM 3219 H2 WAT A1073 13.175 0.628 24.370 1.00 0.00 H -ATOM 3220 O1 WAT A1074 33.017 17.691 0.757 1.00 0.00 O -ATOM 3221 H1 WAT A1074 32.415 17.168 0.228 1.00 0.00 H -ATOM 3222 H2 WAT A1074 33.652 18.034 0.130 1.00 0.00 H -ATOM 3223 O1 WAT A1075 22.410 7.863 7.554 1.00 0.00 O -ATOM 3224 H1 WAT A1075 23.362 7.767 7.599 1.00 0.00 H -ATOM 3225 H2 WAT A1075 22.270 8.793 7.383 1.00 0.00 H -ATOM 3226 O1 WAT A1076 33.063 31.736 25.814 1.00 0.00 O -ATOM 3227 H1 WAT A1076 33.112 32.691 25.862 1.00 0.00 H -ATOM 3228 H2 WAT A1076 32.533 31.484 26.569 1.00 0.00 H -ATOM 3229 O1 WAT A1077 10.492 2.934 30.273 1.00 0.00 O -ATOM 3230 H1 WAT A1077 11.163 2.255 30.190 1.00 0.00 H -ATOM 3231 H2 WAT A1077 10.943 3.746 30.046 1.00 0.00 H -ATOM 3232 O1 WAT A1078 38.404 13.348 18.244 1.00 0.00 O -ATOM 3233 H1 WAT A1078 38.281 13.941 17.503 1.00 0.00 H -ATOM 3234 H2 WAT A1078 38.347 12.472 17.863 1.00 0.00 H -ATOM 3235 O1 WAT A1079 4.301 31.141 31.648 1.00 0.00 O -ATOM 3236 H1 WAT A1079 5.034 30.525 31.685 1.00 0.00 H -ATOM 3237 H2 WAT A1079 3.552 30.643 31.975 1.00 0.00 H -ATOM 3238 O1 WAT A1080 28.838 28.896 11.487 1.00 0.00 O -ATOM 3239 H1 WAT A1080 29.620 29.384 11.746 1.00 0.00 H -ATOM 3240 H2 WAT A1080 28.112 29.379 11.879 1.00 0.00 H -ATOM 3241 O1 WAT A1081 4.707 2.703 0.324 1.00 0.00 O -ATOM 3242 H1 WAT A1081 4.713 1.753 0.205 1.00 0.00 H -ATOM 3243 H2 WAT A1081 3.918 2.876 0.836 1.00 0.00 H -ATOM 3244 O1 WAT A1082 11.411 26.218 25.752 1.00 0.00 O -ATOM 3245 H1 WAT A1082 12.132 25.599 25.860 1.00 0.00 H -ATOM 3246 H2 WAT A1082 10.642 25.752 26.080 1.00 0.00 H -ATOM 3247 O1 WAT A1083 16.909 12.061 23.663 1.00 0.00 O -ATOM 3248 H1 WAT A1083 16.967 12.074 24.618 1.00 0.00 H -ATOM 3249 H2 WAT A1083 16.214 12.686 23.455 1.00 0.00 H -ATOM 3250 O1 WAT A1084 3.053 14.212 32.647 1.00 0.00 O -ATOM 3251 H1 WAT A1084 2.756 13.803 31.834 1.00 0.00 H -ATOM 3252 H2 WAT A1084 2.351 14.817 32.883 1.00 0.00 H -ATOM 3253 O1 WAT A1085 27.621 0.834 35.940 1.00 0.00 O -ATOM 3254 H1 WAT A1085 28.022 1.658 36.216 1.00 0.00 H -ATOM 3255 H2 WAT A1085 26.698 0.925 36.173 1.00 0.00 H -ATOM 3256 O1 WAT A1086 5.441 27.630 17.245 1.00 0.00 O -ATOM 3257 H1 WAT A1086 5.157 28.438 16.819 1.00 0.00 H -ATOM 3258 H2 WAT A1086 4.657 27.301 17.684 1.00 0.00 H -ATOM 3259 O1 WAT A1087 17.279 29.100 27.128 1.00 0.00 O -ATOM 3260 H1 WAT A1087 16.756 28.529 27.691 1.00 0.00 H -ATOM 3261 H2 WAT A1087 17.588 29.794 27.710 1.00 0.00 H -ATOM 3262 O1 WAT A1088 12.425 25.197 19.977 1.00 0.00 O -ATOM 3263 H1 WAT A1088 11.987 24.915 19.174 1.00 0.00 H -ATOM 3264 H2 WAT A1088 13.280 25.512 19.686 1.00 0.00 H -ATOM 3265 O1 WAT A1089 32.569 5.959 4.403 1.00 0.00 O -ATOM 3266 H1 WAT A1089 31.925 5.975 5.111 1.00 0.00 H -ATOM 3267 H2 WAT A1089 33.267 6.543 4.699 1.00 0.00 H -ATOM 3268 O1 WAT A1090 4.139 1.686 10.729 1.00 0.00 O -ATOM 3269 H1 WAT A1090 3.340 2.085 11.074 1.00 0.00 H -ATOM 3270 H2 WAT A1090 4.145 0.802 11.095 1.00 0.00 H -ATOM 3271 O1 WAT A1091 13.586 5.416 38.185 1.00 0.00 O -ATOM 3272 H1 WAT A1091 13.523 4.485 38.399 1.00 0.00 H -ATOM 3273 H2 WAT A1091 14.188 5.452 37.443 1.00 0.00 H -ATOM 3274 O1 WAT A1092 21.684 10.534 20.492 1.00 0.00 O -ATOM 3275 H1 WAT A1092 21.134 9.774 20.686 1.00 0.00 H -ATOM 3276 H2 WAT A1092 21.068 11.213 20.220 1.00 0.00 H -ATOM 3277 O1 WAT A1093 7.510 4.674 37.398 1.00 0.00 O -ATOM 3278 H1 WAT A1093 7.888 4.031 36.798 1.00 0.00 H -ATOM 3279 H2 WAT A1093 8.161 5.373 37.443 1.00 0.00 H -ATOM 3280 O1 WAT A1094 35.911 26.148 23.922 1.00 0.00 O -ATOM 3281 H1 WAT A1094 36.526 26.580 23.329 1.00 0.00 H -ATOM 3282 H2 WAT A1094 35.140 26.715 23.922 1.00 0.00 H -ATOM 3283 O1 WAT A1095 6.843 27.654 -0.001 1.00 0.00 O -ATOM 3284 H1 WAT A1095 7.697 28.079 0.085 1.00 0.00 H -ATOM 3285 H2 WAT A1095 6.511 27.600 0.895 1.00 0.00 H -ATOM 3286 O1 WAT A1096 12.814 21.791 0.747 1.00 0.00 O -ATOM 3287 H1 WAT A1096 12.133 21.159 0.981 1.00 0.00 H -ATOM 3288 H2 WAT A1096 13.263 21.395 0.001 1.00 0.00 H -ATOM 3289 O1 WAT A1097 7.479 28.359 36.405 1.00 0.00 O -ATOM 3290 H1 WAT A1097 6.750 28.190 35.808 1.00 0.00 H -ATOM 3291 H2 WAT A1097 7.947 27.526 36.455 1.00 0.00 H -ATOM 3292 O1 WAT A1098 5.656 20.533 7.509 1.00 0.00 O -ATOM 3293 H1 WAT A1098 5.789 19.887 6.815 1.00 0.00 H -ATOM 3294 H2 WAT A1098 4.803 20.313 7.882 1.00 0.00 H -ATOM 3295 O1 WAT A1099 33.159 11.818 26.189 1.00 0.00 O -ATOM 3296 H1 WAT A1099 33.501 12.000 27.065 1.00 0.00 H -ATOM 3297 H2 WAT A1099 33.937 11.645 25.659 1.00 0.00 H -ATOM 3298 O1 WAT A1100 19.194 6.653 17.591 1.00 0.00 O -ATOM 3299 H1 WAT A1100 19.376 7.590 17.519 1.00 0.00 H -ATOM 3300 H2 WAT A1100 20.014 6.273 17.905 1.00 0.00 H -ATOM 3301 O1 WAT A1101 0.000 28.855 25.014 1.00 0.00 O -ATOM 3302 H1 WAT A1101 0.623 29.581 25.046 1.00 0.00 H -ATOM 3303 H2 WAT A1101 0.285 28.263 25.710 1.00 0.00 H -ATOM 3304 O1 WAT A1102 33.770 22.518 16.006 1.00 0.00 O -ATOM 3305 H1 WAT A1102 34.280 22.647 15.207 1.00 0.00 H -ATOM 3306 H2 WAT A1102 33.042 21.957 15.739 1.00 0.00 H -ATOM 3307 O1 WAT A1103 22.461 38.193 12.317 1.00 0.00 O -ATOM 3308 H1 WAT A1103 23.304 37.772 12.487 1.00 0.00 H -ATOM 3309 H2 WAT A1103 21.810 37.563 12.624 1.00 0.00 H -ATOM 3310 O1 WAT A1104 22.233 28.428 15.736 1.00 0.00 O -ATOM 3311 H1 WAT A1104 23.046 27.992 15.482 1.00 0.00 H -ATOM 3312 H2 WAT A1104 22.351 29.337 15.461 1.00 0.00 H -ATOM 3313 O1 WAT A1105 9.790 14.231 21.573 1.00 0.00 O -ATOM 3314 H1 WAT A1105 10.576 14.777 21.593 1.00 0.00 H -ATOM 3315 H2 WAT A1105 9.139 14.764 21.118 1.00 0.00 H -ATOM 3316 O1 WAT A1106 8.205 13.310 24.614 1.00 0.00 O -ATOM 3317 H1 WAT A1106 7.758 12.508 24.343 1.00 0.00 H -ATOM 3318 H2 WAT A1106 7.500 13.912 24.850 1.00 0.00 H -ATOM 3319 O1 WAT A1107 24.299 36.960 23.629 1.00 0.00 O -ATOM 3320 H1 WAT A1107 23.887 36.430 22.947 1.00 0.00 H -ATOM 3321 H2 WAT A1107 24.692 37.695 23.159 1.00 0.00 H -ATOM 3322 O1 WAT A1108 14.854 31.987 25.874 1.00 0.00 O -ATOM 3323 H1 WAT A1108 13.968 32.350 25.899 1.00 0.00 H -ATOM 3324 H2 WAT A1108 14.742 31.105 25.520 1.00 0.00 H -ATOM 3325 O1 WAT A1109 13.211 14.178 32.805 1.00 0.00 O -ATOM 3326 H1 WAT A1109 12.410 13.800 33.169 1.00 0.00 H -ATOM 3327 H2 WAT A1109 13.372 13.675 32.007 1.00 0.00 H -ATOM 3328 O1 WAT A1110 37.096 13.292 8.267 1.00 0.00 O -ATOM 3329 H1 WAT A1110 37.268 13.855 9.022 1.00 0.00 H -ATOM 3330 H2 WAT A1110 36.233 13.566 7.956 1.00 0.00 H -ATOM 3331 O1 WAT A1111 28.268 18.917 22.006 1.00 0.00 O -ATOM 3332 H1 WAT A1111 27.396 19.307 21.934 1.00 0.00 H -ATOM 3333 H2 WAT A1111 28.856 19.663 22.121 1.00 0.00 H -ATOM 3334 O1 WAT A1112 21.260 25.250 13.615 1.00 0.00 O -ATOM 3335 H1 WAT A1112 20.875 24.437 13.942 1.00 0.00 H -ATOM 3336 H2 WAT A1112 20.830 25.398 12.773 1.00 0.00 H -ATOM 3337 O1 WAT A1113 34.901 16.918 33.317 1.00 0.00 O -ATOM 3338 H1 WAT A1113 35.680 16.550 32.899 1.00 0.00 H -ATOM 3339 H2 WAT A1113 34.284 16.188 33.361 1.00 0.00 H -ATOM 3340 O1 WAT A1114 8.494 37.105 23.099 1.00 0.00 O -ATOM 3341 H1 WAT A1114 8.365 36.395 23.729 1.00 0.00 H -ATOM 3342 H2 WAT A1114 7.817 37.745 23.317 1.00 0.00 H -ATOM 3343 O1 WAT A1115 13.531 23.742 24.140 1.00 0.00 O -ATOM 3344 H1 WAT A1115 12.679 24.147 24.301 1.00 0.00 H -ATOM 3345 H2 WAT A1115 13.336 22.983 23.590 1.00 0.00 H -ATOM 3346 O1 WAT A1116 26.904 36.933 27.263 1.00 0.00 O -ATOM 3347 H1 WAT A1116 27.536 36.241 27.069 1.00 0.00 H -ATOM 3348 H2 WAT A1116 26.918 37.012 28.216 1.00 0.00 H -ATOM 3349 O1 WAT A1117 7.279 32.312 16.363 1.00 0.00 O -ATOM 3350 H1 WAT A1117 8.171 31.965 16.350 1.00 0.00 H -ATOM 3351 H2 WAT A1117 6.719 31.538 16.320 1.00 0.00 H -ATOM 3352 O1 WAT A1118 25.675 22.474 25.995 1.00 0.00 O -ATOM 3353 H1 WAT A1118 26.008 22.219 25.134 1.00 0.00 H -ATOM 3354 H2 WAT A1118 26.433 22.843 26.447 1.00 0.00 H -ATOM 3355 O1 WAT A1119 1.224 7.107 4.275 1.00 0.00 O -ATOM 3356 H1 WAT A1119 0.388 7.172 4.736 1.00 0.00 H -ATOM 3357 H2 WAT A1119 1.499 6.199 4.401 1.00 0.00 H -ATOM 3358 O1 WAT A1120 35.317 5.787 6.587 1.00 0.00 O -ATOM 3359 H1 WAT A1120 35.115 6.659 6.926 1.00 0.00 H -ATOM 3360 H2 WAT A1120 34.499 5.488 6.191 1.00 0.00 H -ATOM 3361 O1 WAT A1121 29.713 30.712 19.545 1.00 0.00 O -ATOM 3362 H1 WAT A1121 28.932 31.265 19.553 1.00 0.00 H -ATOM 3363 H2 WAT A1121 30.350 31.188 20.077 1.00 0.00 H -ATOM 3364 O1 WAT A1122 31.997 14.339 22.018 1.00 0.00 O -ATOM 3365 H1 WAT A1122 31.174 14.190 22.483 1.00 0.00 H -ATOM 3366 H2 WAT A1122 31.750 14.854 21.250 1.00 0.00 H -ATOM 3367 O1 WAT A1123 30.698 12.463 6.412 1.00 0.00 O -ATOM 3368 H1 WAT A1123 29.768 12.643 6.552 1.00 0.00 H -ATOM 3369 H2 WAT A1123 30.789 12.386 5.463 1.00 0.00 H -ATOM 3370 O1 WAT A1124 4.839 21.779 20.314 1.00 0.00 O -ATOM 3371 H1 WAT A1124 4.241 21.446 19.644 1.00 0.00 H -ATOM 3372 H2 WAT A1124 5.587 22.116 19.822 1.00 0.00 H -ATOM 3373 O1 WAT A1125 27.180 31.856 5.019 1.00 0.00 O -ATOM 3374 H1 WAT A1125 26.550 32.477 5.386 1.00 0.00 H -ATOM 3375 H2 WAT A1125 26.845 31.663 4.144 1.00 0.00 H -ATOM 3376 O1 WAT A1126 32.395 32.198 21.531 1.00 0.00 O -ATOM 3377 H1 WAT A1126 32.374 31.246 21.425 1.00 0.00 H -ATOM 3378 H2 WAT A1126 33.325 32.420 21.521 1.00 0.00 H -ATOM 3379 O1 WAT A1127 28.245 24.444 22.996 1.00 0.00 O -ATOM 3380 H1 WAT A1127 29.100 24.775 23.272 1.00 0.00 H -ATOM 3381 H2 WAT A1127 27.668 25.206 23.036 1.00 0.00 H -ATOM 3382 O1 WAT A1128 23.239 8.686 38.219 1.00 0.00 O -ATOM 3383 H1 WAT A1128 23.599 8.738 37.334 1.00 0.00 H -ATOM 3384 H2 WAT A1128 22.473 8.118 38.134 1.00 0.00 H -ATOM 3385 O1 WAT A1129 32.495 28.122 36.257 1.00 0.00 O -ATOM 3386 H1 WAT A1129 31.639 28.540 36.165 1.00 0.00 H -ATOM 3387 H2 WAT A1129 32.325 27.340 36.781 1.00 0.00 H -ATOM 3388 O1 WAT A1130 35.249 25.460 6.191 1.00 0.00 O -ATOM 3389 H1 WAT A1130 34.296 25.530 6.252 1.00 0.00 H -ATOM 3390 H2 WAT A1130 35.474 25.936 5.392 1.00 0.00 H -ATOM 3391 O1 WAT A1131 26.773 8.555 32.546 1.00 0.00 O -ATOM 3392 H1 WAT A1131 27.442 8.894 33.141 1.00 0.00 H -ATOM 3393 H2 WAT A1131 27.023 7.643 32.398 1.00 0.00 H -ATOM 3394 O1 WAT A1132 18.863 30.809 29.190 1.00 0.00 O -ATOM 3395 H1 WAT A1132 19.279 31.041 28.359 1.00 0.00 H -ATOM 3396 H2 WAT A1132 18.435 31.615 29.477 1.00 0.00 H -ATOM 3397 O1 WAT A1133 12.675 29.601 24.256 1.00 0.00 O -ATOM 3398 H1 WAT A1133 12.012 28.915 24.169 1.00 0.00 H -ATOM 3399 H2 WAT A1133 13.492 29.181 23.992 1.00 0.00 H -ATOM 3400 O1 WAT A1134 10.313 13.128 32.941 1.00 0.00 O -ATOM 3401 H1 WAT A1134 9.365 13.064 33.051 1.00 0.00 H -ATOM 3402 H2 WAT A1134 10.551 12.345 32.445 1.00 0.00 H -ATOM 3403 O1 WAT A1135 8.298 32.354 19.061 1.00 0.00 O -ATOM 3404 H1 WAT A1135 7.580 32.968 18.910 1.00 0.00 H -ATOM 3405 H2 WAT A1135 7.895 31.489 18.987 1.00 0.00 H -ATOM 3406 O1 WAT A1136 12.315 17.985 5.398 1.00 0.00 O -ATOM 3407 H1 WAT A1136 11.372 17.949 5.236 1.00 0.00 H -ATOM 3408 H2 WAT A1136 12.498 17.209 5.926 1.00 0.00 H -ATOM 3409 O1 WAT A1137 32.880 19.051 30.145 1.00 0.00 O -ATOM 3410 H1 WAT A1137 31.976 18.845 30.382 1.00 0.00 H -ATOM 3411 H2 WAT A1137 33.298 18.198 30.027 1.00 0.00 H -ATOM 3412 O1 WAT A1138 21.106 2.678 21.405 1.00 0.00 O -ATOM 3413 H1 WAT A1138 21.628 2.642 22.207 1.00 0.00 H -ATOM 3414 H2 WAT A1138 21.663 3.134 20.775 1.00 0.00 H -ATOM 3415 O1 WAT A1139 11.672 32.846 30.708 1.00 0.00 O -ATOM 3416 H1 WAT A1139 11.450 32.762 31.635 1.00 0.00 H -ATOM 3417 H2 WAT A1139 11.927 31.964 30.441 1.00 0.00 H -ATOM 3418 O1 WAT A1140 26.556 33.637 3.217 1.00 0.00 O -ATOM 3419 H1 WAT A1140 27.161 34.196 2.728 1.00 0.00 H -ATOM 3420 H2 WAT A1140 25.690 33.992 3.021 1.00 0.00 H -ATOM 3421 O1 WAT A1141 15.247 30.191 0.407 1.00 0.00 O -ATOM 3422 H1 WAT A1141 15.264 31.149 0.410 1.00 0.00 H -ATOM 3423 H2 WAT A1141 16.130 29.936 0.140 1.00 0.00 H -ATOM 3424 O1 WAT A1142 24.686 10.584 0.566 1.00 0.00 O -ATOM 3425 H1 WAT A1142 23.821 10.988 0.491 1.00 0.00 H -ATOM 3426 H2 WAT A1142 24.642 9.814 0.000 1.00 0.00 H -ATOM 3427 O1 WAT A1143 13.302 22.417 12.843 1.00 0.00 O -ATOM 3428 H1 WAT A1143 13.794 23.238 12.858 1.00 0.00 H -ATOM 3429 H2 WAT A1143 13.904 21.770 13.209 1.00 0.00 H -ATOM 3430 O1 WAT A1144 25.749 23.564 17.877 1.00 0.00 O -ATOM 3431 H1 WAT A1144 25.434 23.442 16.981 1.00 0.00 H -ATOM 3432 H2 WAT A1144 26.516 22.995 17.942 1.00 0.00 H -ATOM 3433 O1 WAT A1145 25.105 14.761 32.549 1.00 0.00 O -ATOM 3434 H1 WAT A1145 25.824 15.029 31.977 1.00 0.00 H -ATOM 3435 H2 WAT A1145 25.420 13.962 32.972 1.00 0.00 H -ATOM 3436 O1 WAT A1146 34.605 22.950 20.640 1.00 0.00 O -ATOM 3437 H1 WAT A1146 33.692 23.211 20.519 1.00 0.00 H -ATOM 3438 H2 WAT A1146 34.660 22.080 20.245 1.00 0.00 H -ATOM 3439 O1 WAT A1147 16.525 29.296 3.054 1.00 0.00 O -ATOM 3440 H1 WAT A1147 16.897 30.108 3.398 1.00 0.00 H -ATOM 3441 H2 WAT A1147 15.822 29.581 2.471 1.00 0.00 H -ATOM 3442 O1 WAT A1148 3.112 36.440 2.501 1.00 0.00 O -ATOM 3443 H1 WAT A1148 3.731 36.222 1.803 1.00 0.00 H -ATOM 3444 H2 WAT A1148 3.078 35.655 3.046 1.00 0.00 H -ATOM 3445 O1 WAT A1149 5.979 19.992 35.489 1.00 0.00 O -ATOM 3446 H1 WAT A1149 6.860 20.337 35.345 1.00 0.00 H -ATOM 3447 H2 WAT A1149 5.564 20.628 36.071 1.00 0.00 H -ATOM 3448 O1 WAT A1150 1.004 8.559 12.117 1.00 0.00 O -ATOM 3449 H1 WAT A1150 1.610 8.397 11.394 1.00 0.00 H -ATOM 3450 H2 WAT A1150 1.559 8.575 12.896 1.00 0.00 H -ATOM 3451 O1 WAT A1151 1.571 9.609 34.518 1.00 0.00 O -ATOM 3452 H1 WAT A1151 2.412 9.294 34.187 1.00 0.00 H -ATOM 3453 H2 WAT A1151 1.166 8.838 34.915 1.00 0.00 H -ATOM 3454 O1 WAT A1152 32.770 29.577 8.456 1.00 0.00 O -ATOM 3455 H1 WAT A1152 32.490 29.168 7.637 1.00 0.00 H -ATOM 3456 H2 WAT A1152 33.605 29.993 8.244 1.00 0.00 H -ATOM 3457 O1 WAT A1153 23.109 23.154 2.493 1.00 0.00 O -ATOM 3458 H1 WAT A1153 22.197 23.014 2.749 1.00 0.00 H -ATOM 3459 H2 WAT A1153 23.529 23.501 3.280 1.00 0.00 H -ATOM 3460 O1 WAT A1154 7.941 24.603 21.776 1.00 0.00 O -ATOM 3461 H1 WAT A1154 8.160 25.535 21.771 1.00 0.00 H -ATOM 3462 H2 WAT A1154 8.762 24.165 21.999 1.00 0.00 H -ATOM 3463 O1 WAT A1155 28.129 25.133 34.085 1.00 0.00 O -ATOM 3464 H1 WAT A1155 28.982 24.911 33.713 1.00 0.00 H -ATOM 3465 H2 WAT A1155 27.650 24.305 34.100 1.00 0.00 H -ATOM 3466 O1 WAT A1156 13.037 7.015 24.301 1.00 0.00 O -ATOM 3467 H1 WAT A1156 13.185 6.069 24.275 1.00 0.00 H -ATOM 3468 H2 WAT A1156 12.144 7.109 24.631 1.00 0.00 H -ATOM 3469 O1 WAT A1157 36.678 13.980 15.997 1.00 0.00 O -ATOM 3470 H1 WAT A1157 36.903 14.907 15.915 1.00 0.00 H -ATOM 3471 H2 WAT A1157 35.936 13.859 15.406 1.00 0.00 H -ATOM 3472 O1 WAT A1158 26.323 16.382 4.322 1.00 0.00 O -ATOM 3473 H1 WAT A1158 25.569 16.537 4.892 1.00 0.00 H -ATOM 3474 H2 WAT A1158 26.799 15.667 4.743 1.00 0.00 H -ATOM 3475 O1 WAT A1159 38.364 29.000 5.997 1.00 0.00 O -ATOM 3476 H1 WAT A1159 38.400 28.672 6.896 1.00 0.00 H -ATOM 3477 H2 WAT A1159 37.688 29.677 6.015 1.00 0.00 H -ATOM 3478 O1 WAT A1160 5.957 26.151 8.695 1.00 0.00 O -ATOM 3479 H1 WAT A1160 6.158 25.588 9.442 1.00 0.00 H -ATOM 3480 H2 WAT A1160 5.002 26.198 8.679 1.00 0.00 H -ATOM 3481 O1 WAT A1161 36.954 21.503 30.115 1.00 0.00 O -ATOM 3482 H1 WAT A1161 36.967 21.157 31.007 1.00 0.00 H -ATOM 3483 H2 WAT A1161 36.198 21.084 29.706 1.00 0.00 H -ATOM 3484 O1 WAT A1162 29.904 7.791 17.003 1.00 0.00 O -ATOM 3485 H1 WAT A1162 29.392 7.037 17.295 1.00 0.00 H -ATOM 3486 H2 WAT A1162 30.093 7.611 16.083 1.00 0.00 H -ATOM 3487 O1 WAT A1163 37.751 18.024 30.407 1.00 0.00 O -ATOM 3488 H1 WAT A1163 38.400 18.528 29.916 1.00 0.00 H -ATOM 3489 H2 WAT A1163 38.109 17.969 31.292 1.00 0.00 H -ATOM 3490 O1 WAT A1164 15.051 15.832 3.177 1.00 0.00 O -ATOM 3491 H1 WAT A1164 15.483 15.112 2.717 1.00 0.00 H -ATOM 3492 H2 WAT A1164 15.621 16.586 3.032 1.00 0.00 H -ATOM 3493 O1 WAT A1165 34.977 22.839 23.225 1.00 0.00 O -ATOM 3494 H1 WAT A1165 34.866 23.656 22.737 1.00 0.00 H -ATOM 3495 H2 WAT A1165 34.523 22.182 22.699 1.00 0.00 H -ATOM 3496 O1 WAT A1166 23.471 8.803 28.959 1.00 0.00 O -ATOM 3497 H1 WAT A1166 23.412 9.757 29.022 1.00 0.00 H -ATOM 3498 H2 WAT A1166 22.650 8.487 29.335 1.00 0.00 H -ATOM 3499 O1 WAT A1167 9.594 34.384 16.891 1.00 0.00 O -ATOM 3500 H1 WAT A1167 8.711 34.448 17.253 1.00 0.00 H -ATOM 3501 H2 WAT A1167 9.747 33.445 16.793 1.00 0.00 H -ATOM 3502 O1 WAT A1168 13.152 5.432 33.482 1.00 0.00 O -ATOM 3503 H1 WAT A1168 12.916 4.512 33.602 1.00 0.00 H -ATOM 3504 H2 WAT A1168 13.886 5.414 32.870 1.00 0.00 H -ATOM 3505 O1 WAT A1169 38.237 34.013 9.747 1.00 0.00 O -ATOM 3506 H1 WAT A1169 37.927 34.654 10.388 1.00 0.00 H -ATOM 3507 H2 WAT A1169 38.400 34.524 8.956 1.00 0.00 H -ATOM 3508 O1 WAT A1170 24.111 16.477 9.285 1.00 0.00 O -ATOM 3509 H1 WAT A1170 23.701 16.186 8.471 1.00 0.00 H -ATOM 3510 H2 WAT A1170 24.868 16.989 9.004 1.00 0.00 H -ATOM 3511 O1 WAT A1171 19.044 25.508 19.480 1.00 0.00 O -ATOM 3512 H1 WAT A1171 19.153 25.608 18.534 1.00 0.00 H -ATOM 3513 H2 WAT A1171 19.862 25.109 19.775 1.00 0.00 H -ATOM 3514 O1 WAT A1172 30.145 12.021 35.715 1.00 0.00 O -ATOM 3515 H1 WAT A1172 29.866 12.588 36.434 1.00 0.00 H -ATOM 3516 H2 WAT A1172 29.865 11.145 35.979 1.00 0.00 H -ATOM 3517 O1 WAT A1173 10.787 24.204 17.388 1.00 0.00 O -ATOM 3518 H1 WAT A1173 10.403 25.081 17.374 1.00 0.00 H -ATOM 3519 H2 WAT A1173 10.382 23.777 18.143 1.00 0.00 H -ATOM 3520 O1 WAT A1174 13.964 33.280 17.664 1.00 0.00 O -ATOM 3521 H1 WAT A1174 14.770 32.763 17.673 1.00 0.00 H -ATOM 3522 H2 WAT A1174 13.605 33.180 18.545 1.00 0.00 H -ATOM 3523 O1 WAT A1175 25.131 27.579 18.750 1.00 0.00 O -ATOM 3524 H1 WAT A1175 25.919 28.074 18.522 1.00 0.00 H -ATOM 3525 H2 WAT A1175 24.477 27.863 18.112 1.00 0.00 H -ATOM 3526 O1 WAT A1176 37.718 2.451 34.681 1.00 0.00 O -ATOM 3527 H1 WAT A1176 38.189 1.622 34.590 1.00 0.00 H -ATOM 3528 H2 WAT A1176 38.376 3.122 34.503 1.00 0.00 H -ATOM 3529 O1 WAT A1177 30.734 16.876 29.351 1.00 0.00 O -ATOM 3530 H1 WAT A1177 30.477 17.223 28.497 1.00 0.00 H -ATOM 3531 H2 WAT A1177 31.690 16.868 29.329 1.00 0.00 H -ATOM 3532 O1 WAT A1178 7.287 12.501 36.375 1.00 0.00 O -ATOM 3533 H1 WAT A1178 7.808 13.282 36.188 1.00 0.00 H -ATOM 3534 H2 WAT A1178 6.408 12.718 36.065 1.00 0.00 H -ATOM 3535 O1 WAT A1179 17.495 29.761 24.468 1.00 0.00 O -ATOM 3536 H1 WAT A1179 16.823 29.920 25.131 1.00 0.00 H -ATOM 3537 H2 WAT A1179 17.409 28.832 24.257 1.00 0.00 H -ATOM 3538 O1 WAT A1180 29.595 2.214 1.707 1.00 0.00 O -ATOM 3539 H1 WAT A1180 30.030 3.049 1.534 1.00 0.00 H -ATOM 3540 H2 WAT A1180 28.668 2.388 1.551 1.00 0.00 H -ATOM 3541 O1 WAT A1181 3.693 24.306 10.061 1.00 0.00 O -ATOM 3542 H1 WAT A1181 4.596 24.021 10.202 1.00 0.00 H -ATOM 3543 H2 WAT A1181 3.626 25.137 10.529 1.00 0.00 H -ATOM 3544 O1 WAT A1182 34.211 31.219 4.054 1.00 0.00 O -ATOM 3545 H1 WAT A1182 34.540 32.052 3.716 1.00 0.00 H -ATOM 3546 H2 WAT A1182 34.959 30.626 4.001 1.00 0.00 H -ATOM 3547 O1 WAT A1183 16.341 11.394 38.320 1.00 0.00 O -ATOM 3548 H1 WAT A1183 15.638 11.933 37.957 1.00 0.00 H -ATOM 3549 H2 WAT A1183 15.959 10.521 38.398 1.00 0.00 H -ATOM 3550 O1 WAT A1184 0.374 31.684 32.412 1.00 0.00 O -ATOM 3551 H1 WAT A1184 0.733 32.567 32.503 1.00 0.00 H -ATOM 3552 H2 WAT A1184 1.120 31.147 32.145 1.00 0.00 H -ATOM 3553 O1 WAT A1185 29.053 25.738 11.141 1.00 0.00 O -ATOM 3554 H1 WAT A1185 29.020 26.531 10.606 1.00 0.00 H -ATOM 3555 H2 WAT A1185 29.986 25.544 11.227 1.00 0.00 H -ATOM 3556 O1 WAT A1186 7.016 8.393 24.775 1.00 0.00 O -ATOM 3557 H1 WAT A1186 7.945 8.296 24.564 1.00 0.00 H -ATOM 3558 H2 WAT A1186 6.779 7.567 25.197 1.00 0.00 H -ATOM 3559 O1 WAT A1187 16.900 15.387 11.670 1.00 0.00 O -ATOM 3560 H1 WAT A1187 15.954 15.336 11.804 1.00 0.00 H -ATOM 3561 H2 WAT A1187 17.171 14.481 11.522 1.00 0.00 H -ATOM 3562 O1 WAT A1188 27.583 37.317 17.704 1.00 0.00 O -ATOM 3563 H1 WAT A1188 28.437 36.886 17.665 1.00 0.00 H -ATOM 3564 H2 WAT A1188 27.741 38.193 17.353 1.00 0.00 H -ATOM 3565 O1 WAT A1189 28.429 36.914 14.015 1.00 0.00 O -ATOM 3566 H1 WAT A1189 27.906 37.627 14.381 1.00 0.00 H -ATOM 3567 H2 WAT A1189 28.731 36.421 14.777 1.00 0.00 H -ATOM 3568 O1 WAT A1190 24.656 16.183 2.902 1.00 0.00 O -ATOM 3569 H1 WAT A1190 24.110 16.883 2.543 1.00 0.00 H -ATOM 3570 H2 WAT A1190 24.063 15.437 2.989 1.00 0.00 H -ATOM 3571 O1 WAT A1191 22.460 10.027 31.049 1.00 0.00 O -ATOM 3572 H1 WAT A1191 23.250 9.508 31.202 1.00 0.00 H -ATOM 3573 H2 WAT A1191 21.742 9.399 31.121 1.00 0.00 H -ATOM 3574 O1 WAT A1192 31.812 35.680 13.948 1.00 0.00 O -ATOM 3575 H1 WAT A1192 32.305 36.499 13.997 1.00 0.00 H -ATOM 3576 H2 WAT A1192 31.975 35.250 14.787 1.00 0.00 H -ATOM 3577 O1 WAT A1193 3.279 18.398 17.450 1.00 0.00 O -ATOM 3578 H1 WAT A1193 2.428 17.959 17.424 1.00 0.00 H -ATOM 3579 H2 WAT A1193 3.346 18.842 16.605 1.00 0.00 H -ATOM 3580 O1 WAT A1194 5.400 1.571 23.926 1.00 0.00 O -ATOM 3581 H1 WAT A1194 4.629 1.120 23.581 1.00 0.00 H -ATOM 3582 H2 WAT A1194 6.139 1.157 23.482 1.00 0.00 H -ATOM 3583 O1 WAT A1195 22.583 33.381 6.318 1.00 0.00 O -ATOM 3584 H1 WAT A1195 22.192 34.224 6.546 1.00 0.00 H -ATOM 3585 H2 WAT A1195 23.362 33.320 6.870 1.00 0.00 H -ATOM 3586 O1 WAT A1196 26.174 26.624 32.025 1.00 0.00 O -ATOM 3587 H1 WAT A1196 26.240 25.669 32.031 1.00 0.00 H -ATOM 3588 H2 WAT A1196 25.234 26.800 31.997 1.00 0.00 H -ATOM 3589 O1 WAT A1197 14.262 27.672 -0.013 1.00 0.00 O -ATOM 3590 H1 WAT A1197 15.204 27.812 0.083 1.00 0.00 H -ATOM 3591 H2 WAT A1197 14.122 26.772 0.280 1.00 0.00 H -ATOM 3592 O1 WAT A1198 37.545 5.158 32.512 1.00 0.00 O -ATOM 3593 H1 WAT A1198 36.933 4.425 32.582 1.00 0.00 H -ATOM 3594 H2 WAT A1198 38.400 4.777 32.712 1.00 0.00 H -ATOM 3595 O1 WAT A1199 17.298 1.755 1.752 1.00 0.00 O -ATOM 3596 H1 WAT A1199 17.775 2.531 2.047 1.00 0.00 H -ATOM 3597 H2 WAT A1199 17.522 1.673 0.826 1.00 0.00 H -ATOM 3598 O1 WAT A1200 16.544 27.645 34.910 1.00 0.00 O -ATOM 3599 H1 WAT A1200 17.163 27.056 35.341 1.00 0.00 H -ATOM 3600 H2 WAT A1200 16.621 28.469 35.391 1.00 0.00 H -ATOM 3601 O1 WAT A1201 12.385 16.605 19.989 1.00 0.00 O -ATOM 3602 H1 WAT A1201 11.788 16.883 19.295 1.00 0.00 H -ATOM 3603 H2 WAT A1201 12.973 17.349 20.113 1.00 0.00 H -ATOM 3604 O1 WAT A1202 25.089 17.455 14.858 1.00 0.00 O -ATOM 3605 H1 WAT A1202 25.734 16.781 15.072 1.00 0.00 H -ATOM 3606 H2 WAT A1202 24.262 16.980 14.779 1.00 0.00 H -ATOM 3607 O1 WAT A1203 27.172 34.953 6.439 1.00 0.00 O -ATOM 3608 H1 WAT A1203 27.090 35.895 6.589 1.00 0.00 H -ATOM 3609 H2 WAT A1203 28.055 34.841 6.089 1.00 0.00 H -ATOM 3610 O1 WAT A1204 11.786 22.827 34.218 1.00 0.00 O -ATOM 3611 H1 WAT A1204 10.953 23.287 34.121 1.00 0.00 H -ATOM 3612 H2 WAT A1204 11.718 22.381 35.062 1.00 0.00 H -ATOM 3613 O1 WAT A1205 4.060 2.685 5.949 1.00 0.00 O -ATOM 3614 H1 WAT A1205 3.501 1.930 6.131 1.00 0.00 H -ATOM 3615 H2 WAT A1205 4.764 2.337 5.403 1.00 0.00 H -ATOM 3616 O1 WAT A1206 12.312 6.160 6.588 1.00 0.00 O -ATOM 3617 H1 WAT A1206 13.204 5.888 6.804 1.00 0.00 H -ATOM 3618 H2 WAT A1206 11.816 5.344 6.542 1.00 0.00 H -ATOM 3619 O1 WAT A1207 22.353 1.569 18.011 1.00 0.00 O -ATOM 3620 H1 WAT A1207 23.225 1.278 17.743 1.00 0.00 H -ATOM 3621 H2 WAT A1207 22.390 2.523 17.956 1.00 0.00 H -ATOM 3622 O1 WAT A1208 1.272 1.864 0.628 1.00 0.00 O -ATOM 3623 H1 WAT A1208 2.174 1.556 0.539 1.00 0.00 H -ATOM 3624 H2 WAT A1208 1.219 2.197 1.523 1.00 0.00 H -ATOM 3625 O1 WAT A1209 31.702 28.971 18.777 1.00 0.00 O -ATOM 3626 H1 WAT A1209 32.319 29.700 18.713 1.00 0.00 H -ATOM 3627 H2 WAT A1209 32.220 28.247 19.128 1.00 0.00 H -ATOM 3628 O1 WAT A1210 25.769 17.934 22.486 1.00 0.00 O -ATOM 3629 H1 WAT A1210 25.067 17.595 23.042 1.00 0.00 H -ATOM 3630 H2 WAT A1210 26.454 17.268 22.531 1.00 0.00 H -ATOM 3631 O1 WAT A1211 15.389 37.919 19.656 1.00 0.00 O -ATOM 3632 H1 WAT A1211 14.479 38.211 19.603 1.00 0.00 H -ATOM 3633 H2 WAT A1211 15.785 38.214 18.836 1.00 0.00 H -ATOM 3634 O1 WAT A1212 19.264 34.171 21.325 1.00 0.00 O -ATOM 3635 H1 WAT A1212 19.018 33.924 20.433 1.00 0.00 H -ATOM 3636 H2 WAT A1212 19.023 35.094 21.395 1.00 0.00 H -ATOM 3637 O1 WAT A1213 31.754 3.627 10.303 1.00 0.00 O -ATOM 3638 H1 WAT A1213 32.477 4.119 10.693 1.00 0.00 H -ATOM 3639 H2 WAT A1213 31.037 4.257 10.248 1.00 0.00 H -ATOM 3640 O1 WAT A1214 11.735 2.928 21.842 1.00 0.00 O -ATOM 3641 H1 WAT A1214 11.164 2.160 21.830 1.00 0.00 H -ATOM 3642 H2 WAT A1214 11.163 3.658 21.607 1.00 0.00 H -ATOM 3643 O1 WAT A1215 19.801 17.398 15.901 1.00 0.00 O -ATOM 3644 H1 WAT A1215 19.444 18.286 15.942 1.00 0.00 H -ATOM 3645 H2 WAT A1215 19.032 16.831 15.860 1.00 0.00 H -ATOM 3646 O1 WAT A1216 29.969 35.532 21.225 1.00 0.00 O -ATOM 3647 H1 WAT A1216 30.185 34.625 21.006 1.00 0.00 H -ATOM 3648 H2 WAT A1216 29.361 35.462 21.961 1.00 0.00 H -ATOM 3649 O1 WAT A1217 12.719 29.851 0.832 1.00 0.00 O -ATOM 3650 H1 WAT A1217 12.961 29.443 0.001 1.00 0.00 H -ATOM 3651 H2 WAT A1217 13.148 30.707 0.813 1.00 0.00 H -ATOM 3652 O1 WAT A1218 35.852 19.846 23.401 1.00 0.00 O -ATOM 3653 H1 WAT A1218 36.246 19.911 24.271 1.00 0.00 H -ATOM 3654 H2 WAT A1218 35.214 19.138 23.479 1.00 0.00 H -ATOM 3655 O1 WAT A1219 37.239 6.581 5.156 1.00 0.00 O -ATOM 3656 H1 WAT A1219 37.391 6.297 6.058 1.00 0.00 H -ATOM 3657 H2 WAT A1219 36.915 7.478 5.239 1.00 0.00 H -ATOM 3658 O1 WAT A1220 20.099 26.829 36.155 1.00 0.00 O -ATOM 3659 H1 WAT A1220 19.216 27.198 36.117 1.00 0.00 H -ATOM 3660 H2 WAT A1220 20.323 26.647 35.244 1.00 0.00 H -ATOM 3661 O1 WAT A1221 8.050 9.740 30.474 1.00 0.00 O -ATOM 3662 H1 WAT A1221 7.415 9.095 30.164 1.00 0.00 H -ATOM 3663 H2 WAT A1221 7.550 10.309 31.057 1.00 0.00 H -ATOM 3664 O1 WAT A1222 12.585 11.526 32.295 1.00 0.00 O -ATOM 3665 H1 WAT A1222 13.539 11.494 32.221 1.00 0.00 H -ATOM 3666 H2 WAT A1222 12.366 10.814 32.895 1.00 0.00 H -ATOM 3667 O1 WAT A1223 13.563 30.338 3.394 1.00 0.00 O -ATOM 3668 H1 WAT A1223 13.330 30.181 4.309 1.00 0.00 H -ATOM 3669 H2 WAT A1223 12.735 30.558 2.969 1.00 0.00 H -ATOM 3670 O1 WAT A1224 0.915 33.089 18.628 1.00 0.00 O -ATOM 3671 H1 WAT A1224 1.464 32.314 18.748 1.00 0.00 H -ATOM 3672 H2 WAT A1224 1.535 33.814 18.557 1.00 0.00 H -ATOM 3673 O1 WAT A1225 26.984 20.915 19.559 1.00 0.00 O -ATOM 3674 H1 WAT A1225 26.182 21.150 19.092 1.00 0.00 H -ATOM 3675 H2 WAT A1225 27.323 21.747 19.887 1.00 0.00 H -ATOM 3676 O1 WAT A1226 35.601 17.624 21.256 1.00 0.00 O -ATOM 3677 H1 WAT A1226 35.717 17.229 22.121 1.00 0.00 H -ATOM 3678 H2 WAT A1226 34.788 18.123 21.328 1.00 0.00 H -ATOM 3679 O1 WAT A1227 25.213 25.582 13.890 1.00 0.00 O -ATOM 3680 H1 WAT A1227 25.305 24.740 14.337 1.00 0.00 H -ATOM 3681 H2 WAT A1227 24.622 26.087 14.447 1.00 0.00 H -ATOM 3682 O1 WAT A1228 36.360 4.967 38.224 1.00 0.00 O -ATOM 3683 H1 WAT A1228 37.241 4.637 38.400 1.00 0.00 H -ATOM 3684 H2 WAT A1228 35.786 4.218 38.382 1.00 0.00 H -ATOM 3685 O1 WAT A1229 37.838 21.928 22.375 1.00 0.00 O -ATOM 3686 H1 WAT A1229 38.393 22.690 22.209 1.00 0.00 H -ATOM 3687 H2 WAT A1229 38.369 21.361 22.934 1.00 0.00 H -ATOM 3688 O1 WAT A1230 28.663 32.751 7.301 1.00 0.00 O -ATOM 3689 H1 WAT A1230 28.814 32.339 6.450 1.00 0.00 H -ATOM 3690 H2 WAT A1230 27.711 32.815 7.372 1.00 0.00 H -ATOM 3691 O1 WAT A1231 20.109 4.797 32.133 1.00 0.00 O -ATOM 3692 H1 WAT A1231 20.477 5.162 32.938 1.00 0.00 H -ATOM 3693 H2 WAT A1231 20.739 4.131 31.861 1.00 0.00 H -ATOM 3694 O1 WAT A1232 14.749 15.311 33.898 1.00 0.00 O -ATOM 3695 H1 WAT A1232 15.645 15.084 33.650 1.00 0.00 H -ATOM 3696 H2 WAT A1232 14.487 15.982 33.268 1.00 0.00 H -ATOM 3697 O1 WAT A1233 27.000 10.190 36.401 1.00 0.00 O -ATOM 3698 H1 WAT A1233 27.797 10.664 36.638 1.00 0.00 H -ATOM 3699 H2 WAT A1233 26.419 10.861 36.044 1.00 0.00 H -ATOM 3700 O1 WAT A1234 34.952 14.223 36.343 1.00 0.00 O -ATOM 3701 H1 WAT A1234 35.576 14.902 36.085 1.00 0.00 H -ATOM 3702 H2 WAT A1234 35.440 13.404 36.263 1.00 0.00 H -ATOM 3703 O1 WAT A1235 5.662 28.110 5.106 1.00 0.00 O -ATOM 3704 H1 WAT A1235 6.210 28.894 5.065 1.00 0.00 H -ATOM 3705 H2 WAT A1235 5.404 27.950 4.199 1.00 0.00 H -ATOM 3706 O1 WAT A1236 4.203 3.631 21.205 1.00 0.00 O -ATOM 3707 H1 WAT A1236 3.616 4.384 21.282 1.00 0.00 H -ATOM 3708 H2 WAT A1236 4.311 3.317 22.102 1.00 0.00 H -ATOM 3709 O1 WAT A1237 18.899 16.120 23.642 1.00 0.00 O -ATOM 3710 H1 WAT A1237 19.808 16.340 23.436 1.00 0.00 H -ATOM 3711 H2 WAT A1237 18.461 16.089 22.792 1.00 0.00 H -ATOM 3712 O1 WAT A1238 19.824 38.403 14.121 1.00 0.00 O -ATOM 3713 H1 WAT A1238 20.746 38.356 14.375 1.00 0.00 H -ATOM 3714 H2 WAT A1238 19.504 37.506 14.213 1.00 0.00 H -ATOM 3715 O1 WAT A1239 0.877 37.906 33.219 1.00 0.00 O -ATOM 3716 H1 WAT A1239 0.908 38.217 34.124 1.00 0.00 H -ATOM 3717 H2 WAT A1239 0.910 36.953 33.291 1.00 0.00 H -ATOM 3718 O1 WAT A1240 37.590 20.526 36.469 1.00 0.00 O -ATOM 3719 H1 WAT A1240 38.075 21.268 36.829 1.00 0.00 H -ATOM 3720 H2 WAT A1240 38.037 19.755 36.816 1.00 0.00 H -ATOM 3721 O1 WAT A1241 15.682 22.571 6.720 1.00 0.00 O -ATOM 3722 H1 WAT A1241 15.372 21.752 7.106 1.00 0.00 H -ATOM 3723 H2 WAT A1241 16.635 22.521 6.782 1.00 0.00 H -ATOM 3724 O1 WAT A1242 17.786 24.908 2.602 1.00 0.00 O -ATOM 3725 H1 WAT A1242 18.684 25.225 2.504 1.00 0.00 H -ATOM 3726 H2 WAT A1242 17.241 25.643 2.325 1.00 0.00 H -ATOM 3727 O1 WAT A1243 32.737 -0.000 35.710 1.00 0.00 O -ATOM 3728 H1 WAT A1243 31.838 0.234 35.943 1.00 0.00 H -ATOM 3729 H2 WAT A1243 33.176 0.839 35.574 1.00 0.00 H -ATOM 3730 O1 WAT A1244 1.299 31.471 3.175 1.00 0.00 O -ATOM 3731 H1 WAT A1244 1.074 30.570 2.941 1.00 0.00 H -ATOM 3732 H2 WAT A1244 0.663 32.008 2.704 1.00 0.00 H -ATOM 3733 O1 WAT A1245 23.440 37.802 21.209 1.00 0.00 O -ATOM 3734 H1 WAT A1245 22.746 38.401 20.931 1.00 0.00 H -ATOM 3735 H2 WAT A1245 23.299 37.013 20.686 1.00 0.00 H -ATOM 3736 O1 WAT A1246 6.326 4.480 17.127 1.00 0.00 O -ATOM 3737 H1 WAT A1246 6.396 3.560 16.872 1.00 0.00 H -ATOM 3738 H2 WAT A1246 6.900 4.943 16.518 1.00 0.00 H -ATOM 3739 O1 WAT A1247 35.279 31.207 35.402 1.00 0.00 O -ATOM 3740 H1 WAT A1247 35.406 30.413 34.882 1.00 0.00 H -ATOM 3741 H2 WAT A1247 34.341 31.386 35.343 1.00 0.00 H -ATOM 3742 O1 WAT A1248 32.908 35.662 26.467 1.00 0.00 O -ATOM 3743 H1 WAT A1248 32.809 34.726 26.640 1.00 0.00 H -ATOM 3744 H2 WAT A1248 32.066 36.043 26.715 1.00 0.00 H -ATOM 3745 O1 WAT A1249 23.515 0.381 13.359 1.00 0.00 O -ATOM 3746 H1 WAT A1249 23.273 0.328 14.283 1.00 0.00 H -ATOM 3747 H2 WAT A1249 23.159 1.219 13.065 1.00 0.00 H -ATOM 3748 O1 WAT A1250 33.884 8.481 27.461 1.00 0.00 O -ATOM 3749 H1 WAT A1250 34.296 7.621 27.544 1.00 0.00 H -ATOM 3750 H2 WAT A1250 34.479 9.077 27.913 1.00 0.00 H -ATOM 3751 O1 WAT A1251 19.485 22.322 18.779 1.00 0.00 O -ATOM 3752 H1 WAT A1251 20.216 21.870 18.356 1.00 0.00 H -ATOM 3753 H2 WAT A1251 19.798 22.508 19.664 1.00 0.00 H -ATOM 3754 O1 WAT A1252 30.777 16.023 35.119 1.00 0.00 O -ATOM 3755 H1 WAT A1252 30.902 16.217 34.190 1.00 0.00 H -ATOM 3756 H2 WAT A1252 31.620 15.673 35.407 1.00 0.00 H -ATOM 3757 O1 WAT A1253 5.193 1.957 2.827 1.00 0.00 O -ATOM 3758 H1 WAT A1253 4.333 1.563 2.681 1.00 0.00 H -ATOM 3759 H2 WAT A1253 5.004 2.808 3.219 1.00 0.00 H -ATOM 3760 O1 WAT A1254 15.060 31.552 28.050 1.00 0.00 O -ATOM 3761 H1 WAT A1254 14.116 31.394 28.040 1.00 0.00 H -ATOM 3762 H2 WAT A1254 15.437 30.785 27.620 1.00 0.00 H -ATOM 3763 O1 WAT A1255 28.501 16.553 10.609 1.00 0.00 O -ATOM 3764 H1 WAT A1255 28.025 15.950 11.181 1.00 0.00 H -ATOM 3765 H2 WAT A1255 29.061 17.054 11.201 1.00 0.00 H -ATOM 3766 O1 WAT A1256 22.746 6.835 13.565 1.00 0.00 O -ATOM 3767 H1 WAT A1256 23.122 6.828 14.445 1.00 0.00 H -ATOM 3768 H2 WAT A1256 23.377 7.325 13.038 1.00 0.00 H -ATOM 3769 O1 WAT A1257 10.084 27.570 15.181 1.00 0.00 O -ATOM 3770 H1 WAT A1257 9.405 27.741 14.528 1.00 0.00 H -ATOM 3771 H2 WAT A1257 9.703 26.907 15.756 1.00 0.00 H -ATOM 3772 O1 WAT A1258 35.837 1.414 2.463 1.00 0.00 O -ATOM 3773 H1 WAT A1258 35.814 0.464 2.582 1.00 0.00 H -ATOM 3774 H2 WAT A1258 35.548 1.551 1.562 1.00 0.00 H -ATOM 3775 O1 WAT A1259 38.015 0.157 37.454 1.00 0.00 O -ATOM 3776 H1 WAT A1259 37.732 0.000 38.355 1.00 0.00 H -ATOM 3777 H2 WAT A1259 37.232 0.003 36.926 1.00 0.00 H -ATOM 3778 O1 WAT A1260 1.934 10.686 12.207 1.00 0.00 O -ATOM 3779 H1 WAT A1260 1.153 11.130 12.538 1.00 0.00 H -ATOM 3780 H2 WAT A1260 2.173 11.175 11.420 1.00 0.00 H -ATOM 3781 O1 WAT A1261 13.547 35.808 4.559 1.00 0.00 O -ATOM 3782 H1 WAT A1261 13.196 36.149 3.736 1.00 0.00 H -ATOM 3783 H2 WAT A1261 14.421 35.489 4.334 1.00 0.00 H -ATOM 3784 O1 WAT A1262 12.444 16.165 35.310 1.00 0.00 O -ATOM 3785 H1 WAT A1262 13.364 16.427 35.288 1.00 0.00 H -ATOM 3786 H2 WAT A1262 11.984 16.862 34.843 1.00 0.00 H -ATOM 3787 O1 WAT A1263 11.407 3.980 27.139 1.00 0.00 O -ATOM 3788 H1 WAT A1263 12.104 4.510 26.751 1.00 0.00 H -ATOM 3789 H2 WAT A1263 11.048 4.529 27.836 1.00 0.00 H -ATOM 3790 O1 WAT A1264 23.404 5.358 11.678 1.00 0.00 O -ATOM 3791 H1 WAT A1264 22.673 5.644 11.129 1.00 0.00 H -ATOM 3792 H2 WAT A1264 24.113 5.966 11.470 1.00 0.00 H -ATOM 3793 O1 WAT A1265 7.820 24.817 0.450 1.00 0.00 O -ATOM 3794 H1 WAT A1265 7.889 25.725 0.154 1.00 0.00 H -ATOM 3795 H2 WAT A1265 8.545 24.368 0.016 1.00 0.00 H -ATOM 3796 O1 WAT A1266 2.992 12.531 23.848 1.00 0.00 O -ATOM 3797 H1 WAT A1266 3.757 13.052 23.606 1.00 0.00 H -ATOM 3798 H2 WAT A1266 2.457 13.121 24.378 1.00 0.00 H -ATOM 3799 O1 WAT A1267 34.485 10.067 9.373 1.00 0.00 O -ATOM 3800 H1 WAT A1267 33.579 10.052 9.682 1.00 0.00 H -ATOM 3801 H2 WAT A1267 34.882 10.809 9.827 1.00 0.00 H -ATOM 3802 O1 WAT A1268 34.528 12.534 30.248 1.00 0.00 O -ATOM 3803 H1 WAT A1268 33.626 12.732 30.498 1.00 0.00 H -ATOM 3804 H2 WAT A1268 34.449 12.039 29.434 1.00 0.00 H -ATOM 3805 O1 WAT A1269 25.790 24.740 37.375 1.00 0.00 O -ATOM 3806 H1 WAT A1269 25.242 24.670 38.157 1.00 0.00 H -ATOM 3807 H2 WAT A1269 26.634 25.051 37.700 1.00 0.00 H -ATOM 3808 O1 WAT A1270 21.078 12.802 23.002 1.00 0.00 O -ATOM 3809 H1 WAT A1270 20.924 13.490 23.649 1.00 0.00 H -ATOM 3810 H2 WAT A1270 21.141 11.998 23.516 1.00 0.00 H -ATOM 3811 O1 WAT A1271 35.303 21.323 6.895 1.00 0.00 O -ATOM 3812 H1 WAT A1271 36.162 21.549 7.252 1.00 0.00 H -ATOM 3813 H2 WAT A1271 35.178 20.405 7.134 1.00 0.00 H -ATOM 3814 O1 WAT A1272 4.043 22.778 15.562 1.00 0.00 O -ATOM 3815 H1 WAT A1272 4.054 22.677 14.610 1.00 0.00 H -ATOM 3816 H2 WAT A1272 3.906 23.715 15.703 1.00 0.00 H -ATOM 3817 O1 WAT A1273 37.327 15.169 38.212 1.00 0.00 O -ATOM 3818 H1 WAT A1273 37.504 14.276 37.917 1.00 0.00 H -ATOM 3819 H2 WAT A1273 36.389 15.178 38.400 1.00 0.00 H -ATOM 3820 O1 WAT A1274 5.602 10.535 19.431 1.00 0.00 O -ATOM 3821 H1 WAT A1274 5.940 11.271 19.942 1.00 0.00 H -ATOM 3822 H2 WAT A1274 5.176 10.941 18.677 1.00 0.00 H -ATOM 3823 O1 WAT A1275 3.246 34.040 0.250 1.00 0.00 O -ATOM 3824 H1 WAT A1275 2.379 34.358 0.000 1.00 0.00 H -ATOM 3825 H2 WAT A1275 3.120 33.652 1.115 1.00 0.00 H -ATOM 3826 O1 WAT A1276 22.148 37.177 8.293 1.00 0.00 O -ATOM 3827 H1 WAT A1276 22.233 36.361 7.800 1.00 0.00 H -ATOM 3828 H2 WAT A1276 22.901 37.702 8.021 1.00 0.00 H -ATOM 3829 O1 WAT A1277 35.622 6.535 23.992 1.00 0.00 O -ATOM 3830 H1 WAT A1277 34.883 5.932 24.066 1.00 0.00 H -ATOM 3831 H2 WAT A1277 36.326 6.008 23.615 1.00 0.00 H -ATOM 3832 O1 WAT A1278 6.115 0.584 8.051 1.00 0.00 O -ATOM 3833 H1 WAT A1278 5.599 0.002 8.609 1.00 0.00 H -ATOM 3834 H2 WAT A1278 6.793 0.021 7.678 1.00 0.00 H -ATOM 3835 O1 WAT A1279 30.488 21.708 9.697 1.00 0.00 O -ATOM 3836 H1 WAT A1279 30.528 22.665 9.690 1.00 0.00 H -ATOM 3837 H2 WAT A1279 30.675 21.466 10.603 1.00 0.00 H -ATOM 3838 O1 WAT A1280 32.706 7.927 23.289 1.00 0.00 O -ATOM 3839 H1 WAT A1280 33.347 8.337 22.709 1.00 0.00 H -ATOM 3840 H2 WAT A1280 33.085 7.074 23.501 1.00 0.00 H -ATOM 3841 O1 WAT A1281 18.598 19.522 32.298 1.00 0.00 O -ATOM 3842 H1 WAT A1281 18.437 20.122 31.570 1.00 0.00 H -ATOM 3843 H2 WAT A1281 18.088 18.742 32.084 1.00 0.00 H -ATOM 3844 O1 WAT A1282 0.799 2.076 11.264 1.00 0.00 O -ATOM 3845 H1 WAT A1282 0.617 1.137 11.297 1.00 0.00 H -ATOM 3846 H2 WAT A1282 0.000 2.488 11.593 1.00 0.00 H -ATOM 3847 O1 WAT A1283 5.269 10.318 34.497 1.00 0.00 O -ATOM 3848 H1 WAT A1283 6.016 9.851 34.872 1.00 0.00 H -ATOM 3849 H2 WAT A1283 4.508 9.963 34.956 1.00 0.00 H -ATOM 3850 O1 WAT A1284 12.588 11.100 20.390 1.00 0.00 O -ATOM 3851 H1 WAT A1284 11.847 10.983 20.986 1.00 0.00 H -ATOM 3852 H2 WAT A1284 12.688 12.048 20.313 1.00 0.00 H -ATOM 3853 O1 WAT A1285 28.549 27.423 8.510 1.00 0.00 O -ATOM 3854 H1 WAT A1285 28.750 26.593 8.078 1.00 0.00 H -ATOM 3855 H2 WAT A1285 29.402 27.771 8.770 1.00 0.00 H -ATOM 3856 O1 WAT A1286 17.778 28.320 37.626 1.00 0.00 O -ATOM 3857 H1 WAT A1286 18.354 29.007 37.963 1.00 0.00 H -ATOM 3858 H2 WAT A1286 17.334 27.977 38.400 1.00 0.00 H -ATOM 3859 O1 WAT A1287 13.803 28.875 28.690 1.00 0.00 O -ATOM 3860 H1 WAT A1287 13.259 29.424 29.255 1.00 0.00 H -ATOM 3861 H2 WAT A1287 14.701 29.100 28.930 1.00 0.00 H -ATOM 3862 O1 WAT A1288 3.513 36.556 18.863 1.00 0.00 O -ATOM 3863 H1 WAT A1288 3.107 37.413 18.731 1.00 0.00 H -ATOM 3864 H2 WAT A1288 2.796 35.931 18.756 1.00 0.00 H -ATOM 3865 O1 WAT A1289 11.011 19.560 30.343 1.00 0.00 O -ATOM 3866 H1 WAT A1289 10.089 19.814 30.300 1.00 0.00 H -ATOM 3867 H2 WAT A1289 11.437 20.280 30.807 1.00 0.00 H -ATOM 3868 O1 WAT A1290 30.872 5.337 30.112 1.00 0.00 O -ATOM 3869 H1 WAT A1290 30.174 5.971 30.280 1.00 0.00 H -ATOM 3870 H2 WAT A1290 31.161 5.062 30.982 1.00 0.00 H -ATOM 3871 O1 WAT A1291 26.642 32.295 24.794 1.00 0.00 O -ATOM 3872 H1 WAT A1291 25.728 32.015 24.856 1.00 0.00 H -ATOM 3873 H2 WAT A1291 26.960 31.897 23.984 1.00 0.00 H -ATOM 3874 O1 WAT A1292 22.477 6.929 24.478 1.00 0.00 O -ATOM 3875 H1 WAT A1292 22.254 7.786 24.842 1.00 0.00 H -ATOM 3876 H2 WAT A1292 21.858 6.805 23.759 1.00 0.00 H -ATOM 3877 O1 WAT A1293 15.068 1.433 31.577 1.00 0.00 O -ATOM 3878 H1 WAT A1293 15.111 2.385 31.666 1.00 0.00 H -ATOM 3879 H2 WAT A1293 15.836 1.113 32.050 1.00 0.00 H -ATOM 3880 O1 WAT A1294 3.398 37.428 28.083 1.00 0.00 O -ATOM 3881 H1 WAT A1294 3.325 36.494 28.283 1.00 0.00 H -ATOM 3882 H2 WAT A1294 4.210 37.701 28.509 1.00 0.00 H -ATOM 3883 O1 WAT A1295 32.225 5.630 16.521 1.00 0.00 O -ATOM 3884 H1 WAT A1295 33.180 5.635 16.575 1.00 0.00 H -ATOM 3885 H2 WAT A1295 31.970 4.765 16.841 1.00 0.00 H -ATOM 3886 O1 WAT A1296 29.530 21.411 38.168 1.00 0.00 O -ATOM 3887 H1 WAT A1296 28.714 21.883 38.332 1.00 0.00 H -ATOM 3888 H2 WAT A1296 29.254 20.516 37.970 1.00 0.00 H -ATOM 3889 O1 WAT A1297 20.542 7.874 30.087 1.00 0.00 O -ATOM 3890 H1 WAT A1297 20.662 7.328 29.309 1.00 0.00 H -ATOM 3891 H2 WAT A1297 20.806 7.314 30.816 1.00 0.00 H -ATOM 3892 O1 WAT A1298 21.230 10.781 38.400 1.00 0.00 O -ATOM 3893 H1 WAT A1298 20.342 11.133 38.332 1.00 0.00 H -ATOM 3894 H2 WAT A1298 21.164 9.892 38.054 1.00 0.00 H -ATOM 3895 O1 WAT A1299 24.374 20.981 28.980 1.00 0.00 O -ATOM 3896 H1 WAT A1299 23.519 20.887 28.561 1.00 0.00 H -ATOM 3897 H2 WAT A1299 25.004 20.815 28.279 1.00 0.00 H -ATOM 3898 O1 WAT A1300 37.161 8.287 21.734 1.00 0.00 O -ATOM 3899 H1 WAT A1300 37.988 8.751 21.865 1.00 0.00 H -ATOM 3900 H2 WAT A1300 37.232 7.509 22.287 1.00 0.00 H -ATOM 3901 O1 WAT A1301 25.083 3.981 12.003 1.00 0.00 O -ATOM 3902 H1 WAT A1301 24.849 3.120 12.351 1.00 0.00 H -ATOM 3903 H2 WAT A1301 25.938 3.850 11.594 1.00 0.00 H -ATOM 3904 O1 WAT A1302 33.629 29.927 27.672 1.00 0.00 O -ATOM 3905 H1 WAT A1302 33.402 29.079 27.290 1.00 0.00 H -ATOM 3906 H2 WAT A1302 33.108 29.977 28.473 1.00 0.00 H -ATOM 3907 O1 WAT A1303 23.592 5.618 17.841 1.00 0.00 O -ATOM 3908 H1 WAT A1303 23.198 4.745 17.837 1.00 0.00 H -ATOM 3909 H2 WAT A1303 23.512 5.922 16.938 1.00 0.00 H -ATOM 3910 O1 WAT A1304 13.688 23.686 10.704 1.00 0.00 O -ATOM 3911 H1 WAT A1304 14.558 24.008 10.940 1.00 0.00 H -ATOM 3912 H2 WAT A1304 13.773 22.733 10.716 1.00 0.00 H -ATOM 3913 O1 WAT A1305 -0.001 12.695 2.589 1.00 0.00 O -ATOM 3914 H1 WAT A1305 0.599 13.441 2.609 1.00 0.00 H -ATOM 3915 H2 WAT A1305 0.551 11.937 2.778 1.00 0.00 H -ATOM 3916 O1 WAT A1306 7.184 25.941 28.059 1.00 0.00 O -ATOM 3917 H1 WAT A1306 7.608 26.797 27.988 1.00 0.00 H -ATOM 3918 H2 WAT A1306 6.291 26.089 27.749 1.00 0.00 H -ATOM 3919 O1 WAT A1307 15.175 9.735 7.619 1.00 0.00 O -ATOM 3920 H1 WAT A1307 14.959 9.062 6.972 1.00 0.00 H -ATOM 3921 H2 WAT A1307 16.101 9.592 7.813 1.00 0.00 H -ATOM 3922 O1 WAT A1308 15.711 19.118 31.565 1.00 0.00 O -ATOM 3923 H1 WAT A1308 15.118 19.335 30.846 1.00 0.00 H -ATOM 3924 H2 WAT A1308 16.251 19.900 31.675 1.00 0.00 H -ATOM 3925 O1 WAT A1309 32.341 33.773 0.341 1.00 0.00 O -ATOM 3926 H1 WAT A1309 31.478 34.007 0.000 1.00 0.00 H -ATOM 3927 H2 WAT A1309 32.470 32.866 0.065 1.00 0.00 H -ATOM 3928 O1 WAT A1310 31.178 14.902 8.355 1.00 0.00 O -ATOM 3929 H1 WAT A1310 30.460 14.281 8.234 1.00 0.00 H -ATOM 3930 H2 WAT A1310 31.943 14.459 7.988 1.00 0.00 H -ATOM 3931 O1 WAT A1311 11.145 2.883 14.333 1.00 0.00 O -ATOM 3932 H1 WAT A1311 10.299 2.899 14.781 1.00 0.00 H -ATOM 3933 H2 WAT A1311 10.952 2.522 13.468 1.00 0.00 H -ATOM 3934 O1 WAT A1312 13.959 31.775 7.259 1.00 0.00 O -ATOM 3935 H1 WAT A1312 14.252 32.679 7.139 1.00 0.00 H -ATOM 3936 H2 WAT A1312 13.004 31.830 7.255 1.00 0.00 H -ATOM 3937 O1 WAT A1313 34.461 2.494 38.053 1.00 0.00 O -ATOM 3938 H1 WAT A1313 34.770 1.588 38.077 1.00 0.00 H -ATOM 3939 H2 WAT A1313 33.570 2.453 38.400 1.00 0.00 H -ATOM 3940 O1 WAT A1314 16.819 16.924 34.376 1.00 0.00 O -ATOM 3941 H1 WAT A1314 16.140 16.863 35.049 1.00 0.00 H -ATOM 3942 H2 WAT A1314 16.393 17.369 33.645 1.00 0.00 H -ATOM 3943 O1 WAT A1315 35.413 33.489 28.647 1.00 0.00 O -ATOM 3944 H1 WAT A1315 34.529 33.855 28.677 1.00 0.00 H -ATOM 3945 H2 WAT A1315 35.978 34.198 28.953 1.00 0.00 H -ATOM 3946 O1 WAT A1316 33.367 11.673 19.355 1.00 0.00 O -ATOM 3947 H1 WAT A1316 32.588 12.055 18.951 1.00 0.00 H -ATOM 3948 H2 WAT A1316 33.116 10.771 19.554 1.00 0.00 H -ATOM 3949 O1 WAT A1317 26.822 14.710 19.040 1.00 0.00 O -ATOM 3950 H1 WAT A1317 26.546 15.574 18.735 1.00 0.00 H -ATOM 3951 H2 WAT A1317 26.307 14.095 18.518 1.00 0.00 H -ATOM 3952 O1 WAT A1318 32.214 4.651 24.663 1.00 0.00 O -ATOM 3953 H1 WAT A1318 31.387 4.251 24.394 1.00 0.00 H -ATOM 3954 H2 WAT A1318 31.986 5.189 25.420 1.00 0.00 H -ATOM 3955 O1 WAT A1319 34.843 20.192 34.294 1.00 0.00 O -ATOM 3956 H1 WAT A1319 35.405 19.421 34.373 1.00 0.00 H -ATOM 3957 H2 WAT A1319 35.358 20.813 33.781 1.00 0.00 H -ATOM 3958 O1 WAT A1320 23.196 37.898 18.090 1.00 0.00 O -ATOM 3959 H1 WAT A1320 23.394 36.989 18.317 1.00 0.00 H -ATOM 3960 H2 WAT A1320 23.473 38.402 18.855 1.00 0.00 H -ATOM 3961 O1 WAT A1321 15.838 31.858 15.970 1.00 0.00 O -ATOM 3962 H1 WAT A1321 15.960 31.265 15.229 1.00 0.00 H -ATOM 3963 H2 WAT A1321 15.459 32.648 15.586 1.00 0.00 H -ATOM 3964 O1 WAT A1322 28.068 0.002 10.568 1.00 0.00 O -ATOM 3965 H1 WAT A1322 28.662 0.733 10.396 1.00 0.00 H -ATOM 3966 H2 WAT A1322 27.606 0.252 11.368 1.00 0.00 H -ATOM 3967 O1 WAT A1323 16.125 25.166 38.403 1.00 0.00 O -ATOM 3968 H1 WAT A1323 16.178 26.113 38.269 1.00 0.00 H -ATOM 3969 H2 WAT A1323 15.209 24.950 38.232 1.00 0.00 H -ATOM 3970 O1 WAT A1324 16.234 22.258 14.686 1.00 0.00 O -ATOM 3971 H1 WAT A1324 15.955 22.755 13.916 1.00 0.00 H -ATOM 3972 H2 WAT A1324 15.458 22.224 15.244 1.00 0.00 H -ATOM 3973 O1 WAT A1325 13.404 28.759 9.082 1.00 0.00 O -ATOM 3974 H1 WAT A1325 12.672 29.334 9.309 1.00 0.00 H -ATOM 3975 H2 WAT A1325 14.179 29.315 9.161 1.00 0.00 H -ATOM 3976 O1 WAT A1326 24.320 10.210 22.335 1.00 0.00 O -ATOM 3977 H1 WAT A1326 25.183 9.857 22.116 1.00 0.00 H -ATOM 3978 H2 WAT A1326 24.491 11.109 22.614 1.00 0.00 H -ATOM 3979 O1 WAT A1327 18.632 23.176 12.370 1.00 0.00 O -ATOM 3980 H1 WAT A1327 19.555 23.234 12.620 1.00 0.00 H -ATOM 3981 H2 WAT A1327 18.506 23.893 11.748 1.00 0.00 H -ATOM 3982 O1 WAT A1328 37.346 36.313 1.953 1.00 0.00 O -ATOM 3983 H1 WAT A1328 38.148 35.879 2.244 1.00 0.00 H -ATOM 3984 H2 WAT A1328 37.313 36.149 1.011 1.00 0.00 H -ATOM 3985 O1 WAT A1329 9.446 12.286 28.760 1.00 0.00 O -ATOM 3986 H1 WAT A1329 10.210 12.840 28.919 1.00 0.00 H -ATOM 3987 H2 WAT A1329 9.779 11.392 28.831 1.00 0.00 H -ATOM 3988 O1 WAT A1330 18.588 35.450 24.373 1.00 0.00 O -ATOM 3989 H1 WAT A1330 19.073 35.576 25.189 1.00 0.00 H -ATOM 3990 H2 WAT A1330 19.262 35.411 23.695 1.00 0.00 H -ATOM 3991 O1 WAT A1331 30.991 26.479 5.860 1.00 0.00 O -ATOM 3992 H1 WAT A1331 30.617 27.359 5.923 1.00 0.00 H -ATOM 3993 H2 WAT A1331 31.282 26.406 4.952 1.00 0.00 H -ATOM 3994 O1 WAT A1332 12.770 32.774 12.927 1.00 0.00 O -ATOM 3995 H1 WAT A1332 12.901 33.660 13.264 1.00 0.00 H -ATOM 3996 H2 WAT A1332 13.562 32.588 12.424 1.00 0.00 H -ATOM 3997 O1 WAT A1333 28.294 31.831 10.805 1.00 0.00 O -ATOM 3998 H1 WAT A1333 27.812 31.199 10.270 1.00 0.00 H -ATOM 3999 H2 WAT A1333 28.046 31.624 11.705 1.00 0.00 H -ATOM 4000 O1 WAT A1334 14.775 25.041 15.269 1.00 0.00 O -ATOM 4001 H1 WAT A1334 14.160 24.428 14.866 1.00 0.00 H -ATOM 4002 H2 WAT A1334 14.262 25.491 15.940 1.00 0.00 H -ATOM 4003 O1 WAT A1335 16.049 33.154 23.649 1.00 0.00 O -ATOM 4004 H1 WAT A1335 15.360 33.651 24.090 1.00 0.00 H -ATOM 4005 H2 WAT A1335 16.281 32.463 24.269 1.00 0.00 H -ATOM 4006 O1 WAT A1336 26.227 4.005 3.232 1.00 0.00 O -ATOM 4007 H1 WAT A1336 25.889 4.881 3.046 1.00 0.00 H -ATOM 4008 H2 WAT A1336 26.462 4.030 4.159 1.00 0.00 H -ATOM 4009 O1 WAT A1337 35.165 3.778 22.695 1.00 0.00 O -ATOM 4010 H1 WAT A1337 35.751 3.891 23.444 1.00 0.00 H -ATOM 4011 H2 WAT A1337 34.286 3.858 23.063 1.00 0.00 H -ATOM 4012 O1 WAT A1338 25.815 10.161 11.899 1.00 0.00 O -ATOM 4013 H1 WAT A1338 26.135 10.786 11.249 1.00 0.00 H -ATOM 4014 H2 WAT A1338 25.580 10.699 12.655 1.00 0.00 H -ATOM 4015 O1 WAT A1339 14.370 25.655 21.946 1.00 0.00 O -ATOM 4016 H1 WAT A1339 13.862 24.849 21.850 1.00 0.00 H -ATOM 4017 H2 WAT A1339 13.733 26.307 22.234 1.00 0.00 H -ATOM 4018 O1 WAT A1340 34.890 26.940 12.731 1.00 0.00 O -ATOM 4019 H1 WAT A1340 33.949 26.761 12.712 1.00 0.00 H -ATOM 4020 H2 WAT A1340 35.001 27.566 13.445 1.00 0.00 H -ATOM 4021 O1 WAT A1341 3.303 7.848 24.564 1.00 0.00 O -ATOM 4022 H1 WAT A1341 3.903 8.167 25.239 1.00 0.00 H -ATOM 4023 H2 WAT A1341 2.494 8.336 24.711 1.00 0.00 H -ATOM 4024 O1 WAT A1342 0.873 16.367 27.114 1.00 0.00 O -ATOM 4025 H1 WAT A1342 0.002 16.729 27.273 1.00 0.00 H -ATOM 4026 H2 WAT A1342 0.899 15.564 27.634 1.00 0.00 H -ATOM 4027 O1 WAT A1343 15.118 24.084 1.047 1.00 0.00 O -ATOM 4028 H1 WAT A1343 15.297 24.980 0.760 1.00 0.00 H -ATOM 4029 H2 WAT A1343 14.194 23.946 0.844 1.00 0.00 H -ATOM 4030 O1 WAT A1344 17.039 20.134 28.263 1.00 0.00 O -ATOM 4031 H1 WAT A1344 17.920 19.884 28.542 1.00 0.00 H -ATOM 4032 H2 WAT A1344 16.490 19.389 28.505 1.00 0.00 H -ATOM 4033 O1 WAT A1345 4.724 34.356 9.792 1.00 0.00 O -ATOM 4034 H1 WAT A1345 4.730 35.265 10.090 1.00 0.00 H -ATOM 4035 H2 WAT A1345 4.163 33.901 10.419 1.00 0.00 H -ATOM 4036 O1 WAT A1346 27.284 21.312 22.873 1.00 0.00 O -ATOM 4037 H1 WAT A1346 27.522 21.947 23.548 1.00 0.00 H -ATOM 4038 H2 WAT A1346 27.758 21.600 22.094 1.00 0.00 H -ATOM 4039 O1 WAT A1347 24.841 32.042 22.428 1.00 0.00 O -ATOM 4040 H1 WAT A1347 25.332 32.651 21.877 1.00 0.00 H -ATOM 4041 H2 WAT A1347 25.206 31.182 22.222 1.00 0.00 H -ATOM 4042 O1 WAT A1348 18.875 27.577 20.634 1.00 0.00 O -ATOM 4043 H1 WAT A1348 19.707 27.575 20.161 1.00 0.00 H -ATOM 4044 H2 WAT A1348 18.937 26.834 21.233 1.00 0.00 H -ATOM 4045 O1 WAT A1349 19.672 14.301 20.605 1.00 0.00 O -ATOM 4046 H1 WAT A1349 19.410 15.092 21.076 1.00 0.00 H -ATOM 4047 H2 WAT A1349 20.163 14.622 19.850 1.00 0.00 H -ATOM 4048 O1 WAT A1350 11.454 2.139 34.994 1.00 0.00 O -ATOM 4049 H1 WAT A1350 11.585 2.936 34.480 1.00 0.00 H -ATOM 4050 H2 WAT A1350 11.040 1.527 34.386 1.00 0.00 H -ATOM 4051 O1 WAT A1351 18.532 22.077 22.689 1.00 0.00 O -ATOM 4052 H1 WAT A1351 18.619 21.695 23.562 1.00 0.00 H -ATOM 4053 H2 WAT A1351 17.640 21.861 22.419 1.00 0.00 H -ATOM 4054 O1 WAT A1352 26.398 12.362 29.735 1.00 0.00 O -ATOM 4055 H1 WAT A1352 26.144 11.444 29.828 1.00 0.00 H -ATOM 4056 H2 WAT A1352 25.570 12.836 29.668 1.00 0.00 H -ATOM 4057 O1 WAT A1353 28.380 16.749 2.764 1.00 0.00 O -ATOM 4058 H1 WAT A1353 29.179 17.229 2.545 1.00 0.00 H -ATOM 4059 H2 WAT A1353 28.669 16.063 3.364 1.00 0.00 H -ATOM 4060 O1 WAT A1354 25.093 29.168 12.761 1.00 0.00 O -ATOM 4061 H1 WAT A1354 25.308 30.076 12.975 1.00 0.00 H -ATOM 4062 H2 WAT A1354 24.276 29.225 12.267 1.00 0.00 H -ATOM 4063 O1 WAT A1355 29.712 9.530 13.430 1.00 0.00 O -ATOM 4064 H1 WAT A1355 28.892 9.535 12.935 1.00 0.00 H -ATOM 4065 H2 WAT A1355 29.731 10.379 13.871 1.00 0.00 H -ATOM 4066 O1 WAT A1356 30.426 22.402 15.023 1.00 0.00 O -ATOM 4067 H1 WAT A1356 30.252 22.633 15.936 1.00 0.00 H -ATOM 4068 H2 WAT A1356 29.610 22.602 14.565 1.00 0.00 H -ATOM 4069 O1 WAT A1357 13.404 13.379 8.279 1.00 0.00 O -ATOM 4070 H1 WAT A1357 14.293 13.718 8.168 1.00 0.00 H -ATOM 4071 H2 WAT A1357 13.509 12.429 8.289 1.00 0.00 H -ATOM 4072 O1 WAT A1358 30.924 3.366 32.376 1.00 0.00 O -ATOM 4073 H1 WAT A1358 31.004 4.119 32.963 1.00 0.00 H -ATOM 4074 H2 WAT A1358 30.131 2.917 32.668 1.00 0.00 H -ATOM 4075 O1 WAT A1359 21.739 36.963 34.482 1.00 0.00 O -ATOM 4076 H1 WAT A1359 21.550 37.860 34.758 1.00 0.00 H -ATOM 4077 H2 WAT A1359 20.951 36.684 34.017 1.00 0.00 H -ATOM 4078 O1 WAT A1360 16.417 4.397 24.963 1.00 0.00 O -ATOM 4079 H1 WAT A1360 16.997 4.029 25.630 1.00 0.00 H -ATOM 4080 H2 WAT A1360 16.747 5.283 24.819 1.00 0.00 H -ATOM 4081 O1 WAT A1361 9.494 33.123 30.625 1.00 0.00 O -ATOM 4082 H1 WAT A1361 8.959 33.916 30.682 1.00 0.00 H -ATOM 4083 H2 WAT A1361 8.905 32.463 30.260 1.00 0.00 H -ATOM 4084 O1 WAT A1362 25.544 7.505 35.202 1.00 0.00 O -ATOM 4085 H1 WAT A1362 26.029 8.095 35.779 1.00 0.00 H -ATOM 4086 H2 WAT A1362 25.064 6.928 35.795 1.00 0.00 H -ATOM 4087 O1 WAT A1363 34.137 9.110 37.092 1.00 0.00 O -ATOM 4088 H1 WAT A1363 35.068 9.311 37.183 1.00 0.00 H -ATOM 4089 H2 WAT A1363 34.064 8.191 37.347 1.00 0.00 H -ATOM 4090 O1 WAT A1364 21.066 0.581 31.979 1.00 0.00 O -ATOM 4091 H1 WAT A1364 20.897 0.000 31.238 1.00 0.00 H -ATOM 4092 H2 WAT A1364 21.088 0.001 32.739 1.00 0.00 H -ATOM 4093 O1 WAT A1365 20.097 16.075 4.990 1.00 0.00 O -ATOM 4094 H1 WAT A1365 20.468 15.241 5.278 1.00 0.00 H -ATOM 4095 H2 WAT A1365 19.342 16.212 5.562 1.00 0.00 H -ATOM 4096 O1 WAT A1366 33.348 20.217 32.681 1.00 0.00 O -ATOM 4097 H1 WAT A1366 33.447 20.995 32.133 1.00 0.00 H -ATOM 4098 H2 WAT A1366 32.619 19.738 32.287 1.00 0.00 H -ATOM 4099 O1 WAT A1367 8.723 10.929 19.760 1.00 0.00 O -ATOM 4100 H1 WAT A1367 8.004 10.366 19.473 1.00 0.00 H -ATOM 4101 H2 WAT A1367 8.627 10.976 20.711 1.00 0.00 H -ATOM 4102 O1 WAT A1368 19.485 15.348 2.781 1.00 0.00 O -ATOM 4103 H1 WAT A1368 19.284 15.613 1.884 1.00 0.00 H -ATOM 4104 H2 WAT A1368 19.713 14.422 2.713 1.00 0.00 H -ATOM 4105 O1 WAT A1369 13.637 16.213 21.877 1.00 0.00 O -ATOM 4106 H1 WAT A1369 13.037 15.568 22.252 1.00 0.00 H -ATOM 4107 H2 WAT A1369 13.392 17.039 22.292 1.00 0.00 H -ATOM 4108 O1 WAT A1370 8.988 14.496 11.315 1.00 0.00 O -ATOM 4109 H1 WAT A1370 8.582 14.546 10.450 1.00 0.00 H -ATOM 4110 H2 WAT A1370 8.256 14.368 11.918 1.00 0.00 H -ATOM 4111 O1 WAT A1371 31.419 37.820 36.440 1.00 0.00 O -ATOM 4112 H1 WAT A1371 31.994 38.400 35.940 1.00 0.00 H -ATOM 4113 H2 WAT A1371 30.750 38.400 36.803 1.00 0.00 H -ATOM 4114 O1 WAT A1372 29.319 26.042 36.569 1.00 0.00 O -ATOM 4115 H1 WAT A1372 29.391 26.850 36.062 1.00 0.00 H -ATOM 4116 H2 WAT A1372 30.220 25.821 36.801 1.00 0.00 H -ATOM 4117 O1 WAT A1373 24.452 5.643 32.407 1.00 0.00 O -ATOM 4118 H1 WAT A1373 23.512 5.782 32.527 1.00 0.00 H -ATOM 4119 H2 WAT A1373 24.864 6.378 32.859 1.00 0.00 H -ATOM 4120 O1 WAT A1374 22.198 16.485 26.417 1.00 0.00 O -ATOM 4121 H1 WAT A1374 22.761 17.158 26.799 1.00 0.00 H -ATOM 4122 H2 WAT A1374 22.620 15.658 26.649 1.00 0.00 H -ATOM 4123 O1 WAT A1375 28.357 29.667 34.665 1.00 0.00 O -ATOM 4124 H1 WAT A1375 27.603 30.203 34.910 1.00 0.00 H -ATOM 4125 H2 WAT A1375 28.051 29.144 33.926 1.00 0.00 H -ATOM 4126 O1 WAT A1376 4.729 13.875 5.226 1.00 0.00 O -ATOM 4127 H1 WAT A1376 5.680 13.984 5.199 1.00 0.00 H -ATOM 4128 H2 WAT A1376 4.383 14.700 4.886 1.00 0.00 H -ATOM 4129 O1 WAT A1377 26.244 14.301 35.516 1.00 0.00 O -ATOM 4130 H1 WAT A1377 25.977 13.506 35.054 1.00 0.00 H -ATOM 4131 H2 WAT A1377 25.468 14.564 36.010 1.00 0.00 H -ATOM 4132 O1 WAT A1378 22.919 27.902 6.665 1.00 0.00 O -ATOM 4133 H1 WAT A1378 23.260 27.010 6.596 1.00 0.00 H -ATOM 4134 H2 WAT A1378 23.636 28.458 6.362 1.00 0.00 H -ATOM 4135 O1 WAT A1379 6.267 7.072 11.475 1.00 0.00 O -ATOM 4136 H1 WAT A1379 6.167 7.898 11.950 1.00 0.00 H -ATOM 4137 H2 WAT A1379 5.417 6.929 11.061 1.00 0.00 H -ATOM 4138 O1 WAT A1380 26.787 5.427 27.419 1.00 0.00 O -ATOM 4139 H1 WAT A1380 26.448 4.727 26.859 1.00 0.00 H -ATOM 4140 H2 WAT A1380 27.433 4.997 27.978 1.00 0.00 H -ATOM 4141 O1 WAT A1381 1.982 22.080 36.817 1.00 0.00 O -ATOM 4142 H1 WAT A1381 1.655 21.204 37.020 1.00 0.00 H -ATOM 4143 H2 WAT A1381 2.903 21.948 36.595 1.00 0.00 H -ATOM 4144 O1 WAT A1382 15.910 22.460 19.905 1.00 0.00 O -ATOM 4145 H1 WAT A1382 14.994 22.242 19.731 1.00 0.00 H -ATOM 4146 H2 WAT A1382 16.192 22.948 19.132 1.00 0.00 H -ATOM 4147 O1 WAT A1383 7.157 30.948 31.296 1.00 0.00 O -ATOM 4148 H1 WAT A1383 6.921 31.586 30.622 1.00 0.00 H -ATOM 4149 H2 WAT A1383 7.128 31.442 32.115 1.00 0.00 H -ATOM 4150 O1 WAT A1384 7.676 18.759 6.920 1.00 0.00 O -ATOM 4151 H1 WAT A1384 7.186 17.955 7.094 1.00 0.00 H -ATOM 4152 H2 WAT A1384 7.828 18.747 5.975 1.00 0.00 H -ATOM 4153 O1 WAT A1385 36.318 24.297 14.909 1.00 0.00 O -ATOM 4154 H1 WAT A1385 36.013 23.951 15.748 1.00 0.00 H -ATOM 4155 H2 WAT A1385 36.164 23.588 14.286 1.00 0.00 H -ATOM 4156 O1 WAT A1386 2.394 23.778 34.906 1.00 0.00 O -ATOM 4157 H1 WAT A1386 1.530 24.170 35.030 1.00 0.00 H -ATOM 4158 H2 WAT A1386 2.223 22.962 34.437 1.00 0.00 H -ATOM 4159 O1 WAT A1387 10.439 37.071 17.052 1.00 0.00 O -ATOM 4160 H1 WAT A1387 9.877 36.470 17.541 1.00 0.00 H -ATOM 4161 H2 WAT A1387 10.703 36.577 16.277 1.00 0.00 H -ATOM 4162 O1 WAT A1388 0.645 18.625 4.852 1.00 0.00 O -ATOM 4163 H1 WAT A1388 1.515 19.018 4.916 1.00 0.00 H -ATOM 4164 H2 WAT A1388 0.133 19.254 4.345 1.00 0.00 H -ATOM 4165 O1 WAT A1389 15.656 21.132 11.798 1.00 0.00 O -ATOM 4166 H1 WAT A1389 14.816 20.869 11.421 1.00 0.00 H -ATOM 4167 H2 WAT A1389 15.679 22.083 11.694 1.00 0.00 H -ATOM 4168 O1 WAT A1390 22.424 38.057 23.163 1.00 0.00 O -ATOM 4169 H1 WAT A1390 22.690 38.410 24.012 1.00 0.00 H -ATOM 4170 H2 WAT A1390 21.890 37.292 23.377 1.00 0.00 H -ATOM 4171 O1 WAT A1391 3.962 18.605 22.668 1.00 0.00 O -ATOM 4172 H1 WAT A1391 4.545 17.910 22.362 1.00 0.00 H -ATOM 4173 H2 WAT A1391 4.466 19.410 22.553 1.00 0.00 H -ATOM 4174 O1 WAT A1392 11.788 33.940 36.181 1.00 0.00 O -ATOM 4175 H1 WAT A1392 12.657 33.637 36.445 1.00 0.00 H -ATOM 4176 H2 WAT A1392 11.941 34.802 35.796 1.00 0.00 H -ATOM 4177 O1 WAT A1393 16.864 3.868 37.130 1.00 0.00 O -ATOM 4178 H1 WAT A1393 17.159 4.536 36.511 1.00 0.00 H -ATOM 4179 H2 WAT A1393 17.552 3.204 37.113 1.00 0.00 H -ATOM 4180 O1 WAT A1394 2.512 29.588 23.142 1.00 0.00 O -ATOM 4181 H1 WAT A1394 2.228 29.003 22.439 1.00 0.00 H -ATOM 4182 H2 WAT A1394 2.581 30.447 22.726 1.00 0.00 H -ATOM 4183 O1 WAT A1395 11.477 23.571 13.566 1.00 0.00 O -ATOM 4184 H1 WAT A1395 11.808 24.440 13.338 1.00 0.00 H -ATOM 4185 H2 WAT A1395 11.973 23.322 14.345 1.00 0.00 H -ATOM 4186 O1 WAT A1396 5.762 31.727 28.031 1.00 0.00 O -ATOM 4187 H1 WAT A1396 6.684 31.650 27.781 1.00 0.00 H -ATOM 4188 H2 WAT A1396 5.480 32.559 27.653 1.00 0.00 H -ATOM 4189 O1 WAT A1397 16.154 8.889 15.472 1.00 0.00 O -ATOM 4190 H1 WAT A1397 16.082 9.781 15.131 1.00 0.00 H -ATOM 4191 H2 WAT A1397 15.262 8.546 15.438 1.00 0.00 H -ATOM 4192 O1 WAT A1398 31.618 28.564 0.443 1.00 0.00 O -ATOM 4193 H1 WAT A1398 31.931 29.366 0.862 1.00 0.00 H -ATOM 4194 H2 WAT A1398 30.859 28.302 0.963 1.00 0.00 H -ATOM 4195 O1 WAT A1399 17.016 37.444 33.657 1.00 0.00 O -ATOM 4196 H1 WAT A1399 17.504 38.120 33.186 1.00 0.00 H -ATOM 4197 H2 WAT A1399 16.211 37.880 33.936 1.00 0.00 H -ATOM 4198 O1 WAT A1400 11.823 27.127 32.409 1.00 0.00 O -ATOM 4199 H1 WAT A1400 11.885 27.550 31.552 1.00 0.00 H -ATOM 4200 H2 WAT A1400 11.630 27.840 33.015 1.00 0.00 H -ATOM 4201 O1 WAT A1401 8.556 1.028 15.651 1.00 0.00 O -ATOM 4202 H1 WAT A1401 8.362 0.130 15.920 1.00 0.00 H -ATOM 4203 H2 WAT A1401 7.699 1.421 15.488 1.00 0.00 H -ATOM 4204 O1 WAT A1402 27.776 30.938 1.402 1.00 0.00 O -ATOM 4205 H1 WAT A1402 27.699 30.042 1.729 1.00 0.00 H -ATOM 4206 H2 WAT A1402 27.889 30.839 0.457 1.00 0.00 H -ATOM 4207 O1 WAT A1403 9.316 31.603 33.500 1.00 0.00 O -ATOM 4208 H1 WAT A1403 9.282 31.557 32.545 1.00 0.00 H -ATOM 4209 H2 WAT A1403 8.540 32.105 33.745 1.00 0.00 H -ATOM 4210 O1 WAT A1404 9.638 37.287 29.920 1.00 0.00 O -ATOM 4211 H1 WAT A1404 8.839 37.641 30.311 1.00 0.00 H -ATOM 4212 H2 WAT A1404 9.490 36.343 29.885 1.00 0.00 H -ATOM 4213 O1 WAT A1405 23.283 20.403 17.372 1.00 0.00 O -ATOM 4214 H1 WAT A1405 22.627 21.080 17.208 1.00 0.00 H -ATOM 4215 H2 WAT A1405 23.958 20.842 17.888 1.00 0.00 H -ATOM 4216 O1 WAT A1406 24.111 27.799 30.390 1.00 0.00 O -ATOM 4217 H1 WAT A1406 23.561 27.027 30.525 1.00 0.00 H -ATOM 4218 H2 WAT A1406 23.586 28.529 30.717 1.00 0.00 H -ATOM 4219 O1 WAT A1407 0.562 3.914 25.999 1.00 0.00 O -ATOM 4220 H1 WAT A1407 0.010 4.687 25.876 1.00 0.00 H -ATOM 4221 H2 WAT A1407 0.062 3.198 25.609 1.00 0.00 H -ATOM 4222 O1 WAT A1408 37.582 21.997 14.831 1.00 0.00 O -ATOM 4223 H1 WAT A1408 37.064 21.854 15.623 1.00 0.00 H -ATOM 4224 H2 WAT A1408 38.400 21.527 14.991 1.00 0.00 H -ATOM 4225 O1 WAT A1409 19.373 14.096 30.848 1.00 0.00 O -ATOM 4226 H1 WAT A1409 19.163 13.443 31.515 1.00 0.00 H -ATOM 4227 H2 WAT A1409 20.261 13.875 30.566 1.00 0.00 H -ATOM 4228 O1 WAT A1410 24.508 37.417 2.574 1.00 0.00 O -ATOM 4229 H1 WAT A1410 23.687 37.695 2.168 1.00 0.00 H -ATOM 4230 H2 WAT A1410 24.622 38.008 3.317 1.00 0.00 H -ATOM 4231 O1 WAT A1411 31.864 34.250 9.804 1.00 0.00 O -ATOM 4232 H1 WAT A1411 32.737 33.963 10.073 1.00 0.00 H -ATOM 4233 H2 WAT A1411 31.964 35.183 9.618 1.00 0.00 H -ATOM 4234 O1 WAT A1412 23.551 32.059 36.702 1.00 0.00 O -ATOM 4235 H1 WAT A1412 24.224 32.245 36.047 1.00 0.00 H -ATOM 4236 H2 WAT A1412 22.783 32.543 36.400 1.00 0.00 H -ATOM 4237 O1 WAT A1413 26.567 20.451 29.817 1.00 0.00 O -ATOM 4238 H1 WAT A1413 26.031 20.959 30.427 1.00 0.00 H -ATOM 4239 H2 WAT A1413 27.106 21.103 29.371 1.00 0.00 H -ATOM 4240 O1 WAT A1414 10.411 25.920 12.310 1.00 0.00 O -ATOM 4241 H1 WAT A1414 11.033 26.125 11.611 1.00 0.00 H -ATOM 4242 H2 WAT A1414 10.305 26.743 12.786 1.00 0.00 H -ATOM 4243 O1 WAT A1415 31.621 21.853 17.959 1.00 0.00 O -ATOM 4244 H1 WAT A1415 31.696 22.593 18.561 1.00 0.00 H -ATOM 4245 H2 WAT A1415 31.113 21.201 18.441 1.00 0.00 H -ATOM 4246 O1 WAT A1416 35.503 33.833 23.152 1.00 0.00 O -ATOM 4247 H1 WAT A1416 34.977 33.585 22.391 1.00 0.00 H -ATOM 4248 H2 WAT A1416 36.101 33.098 23.281 1.00 0.00 H -ATOM 4249 O1 WAT A1417 19.642 22.719 0.449 1.00 0.00 O -ATOM 4250 H1 WAT A1417 18.918 22.281 0.000 1.00 0.00 H -ATOM 4251 H2 WAT A1417 19.304 23.589 0.659 1.00 0.00 H -ATOM 4252 O1 WAT A1418 20.454 21.933 35.671 1.00 0.00 O -ATOM 4253 H1 WAT A1418 19.913 22.499 35.119 1.00 0.00 H -ATOM 4254 H2 WAT A1418 20.217 21.044 35.408 1.00 0.00 H -ATOM 4255 O1 WAT A1419 0.002 26.445 34.823 1.00 0.00 O -ATOM 4256 H1 WAT A1419 0.733 26.441 35.441 1.00 0.00 H -ATOM 4257 H2 WAT A1419 0.183 25.716 34.232 1.00 0.00 H -ATOM 4258 O1 WAT A1420 23.906 36.724 31.787 1.00 0.00 O -ATOM 4259 H1 WAT A1420 23.638 37.181 32.585 1.00 0.00 H -ATOM 4260 H2 WAT A1420 24.861 36.707 31.829 1.00 0.00 H -ATOM 4261 O1 WAT A1421 31.636 36.485 17.984 1.00 0.00 O -ATOM 4262 H1 WAT A1421 30.871 36.070 17.584 1.00 0.00 H -ATOM 4263 H2 WAT A1421 31.338 37.363 18.218 1.00 0.00 H -ATOM 4264 O1 WAT A1422 10.268 22.214 19.688 1.00 0.00 O -ATOM 4265 H1 WAT A1422 10.347 22.738 20.485 1.00 0.00 H -ATOM 4266 H2 WAT A1422 10.727 21.399 19.890 1.00 0.00 H -ATOM 4267 O1 WAT A1423 34.402 9.252 32.382 1.00 0.00 O -ATOM 4268 H1 WAT A1423 34.166 10.178 32.315 1.00 0.00 H -ATOM 4269 H2 WAT A1423 33.573 8.785 32.282 1.00 0.00 H -ATOM 4270 O1 WAT A1424 7.540 21.098 22.689 1.00 0.00 O -ATOM 4271 H1 WAT A1424 8.058 20.632 23.345 1.00 0.00 H -ATOM 4272 H2 WAT A1424 6.635 20.998 22.982 1.00 0.00 H -ATOM 4273 O1 WAT A1425 21.172 6.961 0.522 1.00 0.00 O -ATOM 4274 H1 WAT A1425 21.806 6.412 0.060 1.00 0.00 H -ATOM 4275 H2 WAT A1425 21.690 7.686 0.869 1.00 0.00 H -ATOM 4276 O1 WAT A1426 38.061 16.469 4.033 1.00 0.00 O -ATOM 4277 H1 WAT A1426 37.117 16.629 4.031 1.00 0.00 H -ATOM 4278 H2 WAT A1426 38.154 15.573 3.710 1.00 0.00 H -ATOM 4279 O1 WAT A1427 31.640 32.115 14.798 1.00 0.00 O -ATOM 4280 H1 WAT A1427 31.293 31.380 14.293 1.00 0.00 H -ATOM 4281 H2 WAT A1427 32.578 32.117 14.609 1.00 0.00 H -ATOM 4282 O1 WAT A1428 29.901 37.711 23.163 1.00 0.00 O -ATOM 4283 H1 WAT A1428 29.193 37.920 22.553 1.00 0.00 H -ATOM 4284 H2 WAT A1428 29.615 36.908 23.597 1.00 0.00 H -ATOM 4285 O1 WAT A1429 36.145 10.213 19.082 1.00 0.00 O -ATOM 4286 H1 WAT A1429 35.337 10.685 19.284 1.00 0.00 H -ATOM 4287 H2 WAT A1429 35.854 9.339 18.825 1.00 0.00 H -ATOM 4288 O1 WAT A1430 5.135 37.660 17.342 1.00 0.00 O -ATOM 4289 H1 WAT A1430 6.016 37.995 17.175 1.00 0.00 H -ATOM 4290 H2 WAT A1430 4.558 38.400 17.159 1.00 0.00 H -ATOM 4291 O1 WAT A1431 19.157 19.256 5.859 1.00 0.00 O -ATOM 4292 H1 WAT A1431 20.107 19.211 5.748 1.00 0.00 H -ATOM 4293 H2 WAT A1431 19.024 19.937 6.517 1.00 0.00 H -ATOM 4294 O1 WAT A1432 18.477 17.900 13.609 1.00 0.00 O -ATOM 4295 H1 WAT A1432 17.847 17.660 12.930 1.00 0.00 H -ATOM 4296 H2 WAT A1432 19.251 18.190 13.127 1.00 0.00 H -ATOM 4297 O1 WAT A1433 26.221 33.984 10.678 1.00 0.00 O -ATOM 4298 H1 WAT A1433 26.187 34.229 11.603 1.00 0.00 H -ATOM 4299 H2 WAT A1433 25.366 34.238 10.331 1.00 0.00 H -ATOM 4300 O1 WAT A1434 6.074 18.249 24.497 1.00 0.00 O -ATOM 4301 H1 WAT A1434 6.225 18.733 23.685 1.00 0.00 H -ATOM 4302 H2 WAT A1434 5.621 17.452 24.221 1.00 0.00 H -ATOM 4303 O1 WAT A1435 12.907 18.468 1.107 1.00 0.00 O -ATOM 4304 H1 WAT A1435 12.507 17.613 0.948 1.00 0.00 H -ATOM 4305 H2 WAT A1435 13.800 18.381 0.775 1.00 0.00 H -ATOM 4306 O1 WAT A1436 20.352 36.506 30.063 1.00 0.00 O -ATOM 4307 H1 WAT A1436 19.529 36.408 29.585 1.00 0.00 H -ATOM 4308 H2 WAT A1436 20.630 37.403 29.882 1.00 0.00 H -ATOM 4309 O1 WAT A1437 15.921 0.422 28.788 1.00 0.00 O -ATOM 4310 H1 WAT A1437 16.666 1.019 28.866 1.00 0.00 H -ATOM 4311 H2 WAT A1437 15.461 0.501 29.623 1.00 0.00 H -ATOM 4312 O1 WAT A1438 22.399 2.494 28.739 1.00 0.00 O -ATOM 4313 H1 WAT A1438 22.837 1.686 28.469 1.00 0.00 H -ATOM 4314 H2 WAT A1438 21.616 2.199 29.202 1.00 0.00 H -ATOM 4315 O1 WAT A1439 21.776 19.260 30.292 1.00 0.00 O -ATOM 4316 H1 WAT A1439 21.646 18.334 30.086 1.00 0.00 H -ATOM 4317 H2 WAT A1439 20.952 19.535 30.691 1.00 0.00 H -ATOM 4318 O1 WAT A1440 31.078 16.246 24.263 1.00 0.00 O -ATOM 4319 H1 WAT A1440 30.931 17.189 24.186 1.00 0.00 H -ATOM 4320 H2 WAT A1440 30.376 15.850 23.749 1.00 0.00 H -ATOM 4321 O1 WAT A1441 30.320 1.796 16.153 1.00 0.00 O -ATOM 4322 H1 WAT A1441 29.368 1.699 16.139 1.00 0.00 H -ATOM 4323 H2 WAT A1441 30.465 2.740 16.195 1.00 0.00 H -ATOM 4324 O1 WAT A1442 22.522 0.404 22.825 1.00 0.00 O -ATOM 4325 H1 WAT A1442 21.660 0.000 22.928 1.00 0.00 H -ATOM 4326 H2 WAT A1442 22.884 0.000 22.038 1.00 0.00 H -ATOM 4327 O1 WAT A1443 37.565 26.126 20.906 1.00 0.00 O -ATOM 4328 H1 WAT A1443 38.309 25.868 20.361 1.00 0.00 H -ATOM 4329 H2 WAT A1443 37.274 25.312 21.315 1.00 0.00 H -ATOM 4330 O1 WAT A1444 13.749 35.072 1.349 1.00 0.00 O -ATOM 4331 H1 WAT A1444 13.949 34.266 1.825 1.00 0.00 H -ATOM 4332 H2 WAT A1444 14.305 35.735 1.755 1.00 0.00 H -ATOM 4333 O1 WAT A1445 16.084 13.250 6.830 1.00 0.00 O -ATOM 4334 H1 WAT A1445 16.780 13.901 6.745 1.00 0.00 H -ATOM 4335 H2 WAT A1445 16.542 12.431 7.016 1.00 0.00 H -ATOM 4336 O1 WAT A1446 23.416 15.465 30.387 1.00 0.00 O -ATOM 4337 H1 WAT A1446 22.705 15.203 30.972 1.00 0.00 H -ATOM 4338 H2 WAT A1446 24.064 15.871 30.961 1.00 0.00 H -ATOM 4339 O1 WAT A1447 0.001 9.681 8.041 1.00 0.00 O -ATOM 4340 H1 WAT A1447 0.048 10.159 8.869 1.00 0.00 H -ATOM 4341 H2 WAT A1447 0.908 9.623 7.745 1.00 0.00 H -ATOM 4342 O1 WAT A1448 14.127 26.571 7.431 1.00 0.00 O -ATOM 4343 H1 WAT A1448 13.589 27.057 6.806 1.00 0.00 H -ATOM 4344 H2 WAT A1448 14.161 25.682 7.079 1.00 0.00 H -ATOM 4345 O1 WAT A1449 19.768 17.904 19.647 1.00 0.00 O -ATOM 4346 H1 WAT A1449 20.280 17.304 20.189 1.00 0.00 H -ATOM 4347 H2 WAT A1449 20.421 18.424 19.180 1.00 0.00 H -ATOM 4348 O1 WAT A1450 32.641 32.584 37.123 1.00 0.00 O -ATOM 4349 H1 WAT A1450 33.289 33.264 37.306 1.00 0.00 H -ATOM 4350 H2 WAT A1450 32.514 32.622 36.175 1.00 0.00 H -ATOM 4351 O1 WAT A1451 18.281 14.330 5.125 1.00 0.00 O -ATOM 4352 H1 WAT A1451 18.209 13.952 4.248 1.00 0.00 H -ATOM 4353 H2 WAT A1451 18.673 13.636 5.654 1.00 0.00 H -ATOM 4354 O1 WAT A1452 17.868 30.948 33.258 1.00 0.00 O -ATOM 4355 H1 WAT A1452 17.474 31.616 32.697 1.00 0.00 H -ATOM 4356 H2 WAT A1452 18.689 30.722 32.822 1.00 0.00 H -ATOM 4357 O1 WAT A1453 15.987 9.608 1.524 1.00 0.00 O -ATOM 4358 H1 WAT A1453 16.907 9.347 1.560 1.00 0.00 H -ATOM 4359 H2 WAT A1453 15.507 8.841 1.835 1.00 0.00 H -ATOM 4360 O1 WAT A1454 32.231 9.371 16.942 1.00 0.00 O -ATOM 4361 H1 WAT A1454 31.993 8.450 16.834 1.00 0.00 H -ATOM 4362 H2 WAT A1454 31.509 9.749 17.443 1.00 0.00 H -ATOM 4363 O1 WAT A1455 18.186 21.615 36.155 1.00 0.00 O -ATOM 4364 H1 WAT A1455 17.362 21.195 36.402 1.00 0.00 H -ATOM 4365 H2 WAT A1455 18.613 21.814 36.988 1.00 0.00 H -ATOM 4366 O1 WAT A1456 23.397 23.132 5.445 1.00 0.00 O -ATOM 4367 H1 WAT A1456 23.711 23.821 6.031 1.00 0.00 H -ATOM 4368 H2 WAT A1456 23.338 22.354 5.998 1.00 0.00 H -ATOM 4369 O1 WAT A1457 33.434 5.313 31.703 1.00 0.00 O -ATOM 4370 H1 WAT A1457 33.429 4.640 31.022 1.00 0.00 H -ATOM 4371 H2 WAT A1457 33.211 6.122 31.243 1.00 0.00 H -ATOM 4372 O1 WAT A1458 7.195 4.416 9.469 1.00 0.00 O -ATOM 4373 H1 WAT A1458 7.107 5.320 9.772 1.00 0.00 H -ATOM 4374 H2 WAT A1458 6.538 4.329 8.779 1.00 0.00 H -ATOM 4375 O1 WAT A1459 24.523 9.570 35.056 1.00 0.00 O -ATOM 4376 H1 WAT A1459 23.828 8.918 34.965 1.00 0.00 H -ATOM 4377 H2 WAT A1459 25.070 9.448 34.280 1.00 0.00 H -ATOM 4378 O1 WAT A1460 27.399 21.826 3.609 1.00 0.00 O -ATOM 4379 H1 WAT A1460 26.640 21.465 4.066 1.00 0.00 H -ATOM 4380 H2 WAT A1460 27.459 22.729 3.917 1.00 0.00 H -ATOM 4381 O1 WAT A1461 19.066 8.796 11.088 1.00 0.00 O -ATOM 4382 H1 WAT A1461 18.668 9.666 11.053 1.00 0.00 H -ATOM 4383 H2 WAT A1461 18.382 8.207 10.771 1.00 0.00 H -ATOM 4384 O1 WAT A1462 21.434 1.004 7.358 1.00 0.00 O -ATOM 4385 H1 WAT A1462 20.557 1.385 7.408 1.00 0.00 H -ATOM 4386 H2 WAT A1462 21.997 1.636 7.804 1.00 0.00 H -ATOM 4387 O1 WAT A1463 37.876 6.272 20.562 1.00 0.00 O -ATOM 4388 H1 WAT A1463 38.400 6.995 20.215 1.00 0.00 H -ATOM 4389 H2 WAT A1463 38.401 5.491 20.390 1.00 0.00 H -ATOM 4390 O1 WAT A1464 20.018 29.125 33.675 1.00 0.00 O -ATOM 4391 H1 WAT A1464 20.512 29.939 33.772 1.00 0.00 H -ATOM 4392 H2 WAT A1464 20.682 28.436 33.706 1.00 0.00 H -ATOM 4393 O1 WAT A1465 13.408 32.499 3.772 1.00 0.00 O -ATOM 4394 H1 WAT A1465 14.318 32.313 4.003 1.00 0.00 H -ATOM 4395 H2 WAT A1465 13.348 33.454 3.781 1.00 0.00 H -ATOM 4396 O1 WAT A1466 22.401 19.911 9.730 1.00 0.00 O -ATOM 4397 H1 WAT A1466 22.522 20.649 9.132 1.00 0.00 H -ATOM 4398 H2 WAT A1466 22.473 19.136 9.174 1.00 0.00 H -ATOM 4399 O1 WAT A1467 8.868 3.241 3.046 1.00 0.00 O -ATOM 4400 H1 WAT A1467 8.758 4.190 2.986 1.00 0.00 H -ATOM 4401 H2 WAT A1467 9.535 3.118 3.720 1.00 0.00 H -ATOM 4402 O1 WAT A1468 21.238 21.773 12.300 1.00 0.00 O -ATOM 4403 H1 WAT A1468 21.573 22.404 12.937 1.00 0.00 H -ATOM 4404 H2 WAT A1468 21.908 21.739 11.619 1.00 0.00 H -ATOM 4405 O1 WAT A1469 17.070 8.546 18.105 1.00 0.00 O -ATOM 4406 H1 WAT A1469 17.453 8.623 17.231 1.00 0.00 H -ATOM 4407 H2 WAT A1469 16.191 8.199 17.953 1.00 0.00 H -ATOM 4408 O1 WAT A1470 33.465 0.096 29.228 1.00 0.00 O -ATOM 4409 H1 WAT A1470 32.522 0.000 29.091 1.00 0.00 H -ATOM 4410 H2 WAT A1470 33.540 0.633 30.016 1.00 0.00 H -ATOM 4411 O1 WAT A1471 20.126 29.251 22.167 1.00 0.00 O -ATOM 4412 H1 WAT A1471 20.138 29.449 21.230 1.00 0.00 H -ATOM 4413 H2 WAT A1471 19.276 29.571 22.469 1.00 0.00 H -ATOM 4414 O1 WAT A1472 9.888 34.937 0.070 1.00 0.00 O -ATOM 4415 H1 WAT A1472 10.674 35.248 0.520 1.00 0.00 H -ATOM 4416 H2 WAT A1472 10.010 33.990 0.000 1.00 0.00 H -ATOM 4417 O1 WAT A1473 36.182 37.344 9.668 1.00 0.00 O -ATOM 4418 H1 WAT A1473 36.451 37.041 8.801 1.00 0.00 H -ATOM 4419 H2 WAT A1473 35.898 38.247 9.529 1.00 0.00 H -ATOM 4420 O1 WAT A1474 16.770 35.736 14.645 1.00 0.00 O -ATOM 4421 H1 WAT A1474 17.076 34.929 14.231 1.00 0.00 H -ATOM 4422 H2 WAT A1474 16.746 36.376 13.934 1.00 0.00 H -ATOM 4423 O1 WAT A1475 1.829 6.356 17.911 1.00 0.00 O -ATOM 4424 H1 WAT A1475 2.340 7.134 18.133 1.00 0.00 H -ATOM 4425 H2 WAT A1475 0.994 6.699 17.594 1.00 0.00 H -ATOM 4426 O1 WAT A1476 5.840 32.934 21.874 1.00 0.00 O -ATOM 4427 H1 WAT A1476 5.804 33.884 21.985 1.00 0.00 H -ATOM 4428 H2 WAT A1476 5.375 32.585 22.633 1.00 0.00 H -ATOM 4429 O1 WAT A1477 17.137 31.572 1.773 1.00 0.00 O -ATOM 4430 H1 WAT A1477 17.413 32.320 1.243 1.00 0.00 H -ATOM 4431 H2 WAT A1477 16.330 31.862 2.197 1.00 0.00 H -ATOM 4432 O1 WAT A1478 8.901 29.484 18.134 1.00 0.00 O -ATOM 4433 H1 WAT A1478 8.882 30.203 17.502 1.00 0.00 H -ATOM 4434 H2 WAT A1478 9.444 29.809 18.851 1.00 0.00 H -ATOM 4435 O1 WAT A1479 29.331 29.922 3.762 1.00 0.00 O -ATOM 4436 H1 WAT A1479 30.092 30.502 3.724 1.00 0.00 H -ATOM 4437 H2 WAT A1479 29.593 29.221 4.358 1.00 0.00 H -ATOM 4438 O1 WAT A1480 4.486 6.373 37.671 1.00 0.00 O -ATOM 4439 H1 WAT A1480 3.700 6.401 38.218 1.00 0.00 H -ATOM 4440 H2 WAT A1480 4.234 6.823 36.865 1.00 0.00 H -ATOM 4441 O1 WAT A1481 9.934 12.138 0.421 1.00 0.00 O -ATOM 4442 H1 WAT A1481 10.756 12.630 0.402 1.00 0.00 H -ATOM 4443 H2 WAT A1481 9.298 12.716 0.001 1.00 0.00 H -ATOM 4444 O1 WAT A1482 31.028 16.305 18.047 1.00 0.00 O -ATOM 4445 H1 WAT A1482 30.634 15.454 17.858 1.00 0.00 H -ATOM 4446 H2 WAT A1482 30.793 16.482 18.957 1.00 0.00 H -ATOM 4447 O1 WAT A1483 1.769 21.743 15.341 1.00 0.00 O -ATOM 4448 H1 WAT A1483 1.787 21.203 14.550 1.00 0.00 H -ATOM 4449 H2 WAT A1483 2.151 21.187 16.020 1.00 0.00 H -ATOM 4450 O1 WAT A1484 17.733 26.128 11.926 1.00 0.00 O -ATOM 4451 H1 WAT A1484 17.099 26.573 12.490 1.00 0.00 H -ATOM 4452 H2 WAT A1484 18.579 26.287 12.344 1.00 0.00 H -ATOM 4453 O1 WAT A1485 0.092 35.383 16.282 1.00 0.00 O -ATOM 4454 H1 WAT A1485 0.432 34.721 16.884 1.00 0.00 H -ATOM 4455 H2 WAT A1485 0.001 34.925 15.447 1.00 0.00 H -ATOM 4456 O1 WAT A1486 33.336 15.177 18.456 1.00 0.00 O -ATOM 4457 H1 WAT A1486 33.976 15.802 18.115 1.00 0.00 H -ATOM 4458 H2 WAT A1486 33.287 15.370 19.392 1.00 0.00 H -ATOM 4459 O1 WAT A1487 8.771 18.261 19.680 1.00 0.00 O -ATOM 4460 H1 WAT A1487 8.966 17.333 19.813 1.00 0.00 H -ATOM 4461 H2 WAT A1487 9.502 18.587 19.156 1.00 0.00 H -ATOM 4462 O1 WAT A1488 18.598 33.427 25.238 1.00 0.00 O -ATOM 4463 H1 WAT A1488 18.771 32.486 25.263 1.00 0.00 H -ATOM 4464 H2 WAT A1488 17.706 33.517 25.571 1.00 0.00 H -ATOM 4465 O1 WAT A1489 8.888 37.626 19.222 1.00 0.00 O -ATOM 4466 H1 WAT A1489 9.805 37.901 19.213 1.00 0.00 H -ATOM 4467 H2 WAT A1489 8.913 36.713 19.504 1.00 0.00 H -ATOM 4468 O1 WAT A1490 20.335 4.213 12.908 1.00 0.00 O -ATOM 4469 H1 WAT A1490 19.490 3.893 13.225 1.00 0.00 H -ATOM 4470 H2 WAT A1490 20.946 3.500 13.092 1.00 0.00 H -ATOM 4471 O1 WAT A1491 14.665 35.250 36.283 1.00 0.00 O -ATOM 4472 H1 WAT A1491 14.775 36.197 36.190 1.00 0.00 H -ATOM 4473 H2 WAT A1491 14.132 34.995 35.531 1.00 0.00 H -ATOM 4474 O1 WAT A1492 4.142 31.983 36.080 1.00 0.00 O -ATOM 4475 H1 WAT A1492 3.194 31.861 36.026 1.00 0.00 H -ATOM 4476 H2 WAT A1492 4.503 31.336 35.474 1.00 0.00 H -ATOM 4477 O1 WAT A1493 35.703 25.100 38.144 1.00 0.00 O -ATOM 4478 H1 WAT A1493 35.668 26.055 38.088 1.00 0.00 H -ATOM 4479 H2 WAT A1493 36.605 24.907 38.397 1.00 0.00 H -ATOM 4480 O1 WAT A1494 1.517 10.847 22.597 1.00 0.00 O -ATOM 4481 H1 WAT A1494 1.168 11.456 23.247 1.00 0.00 H -ATOM 4482 H2 WAT A1494 1.375 11.283 21.758 1.00 0.00 H -ATOM 4483 O1 WAT A1495 21.265 13.669 33.156 1.00 0.00 O -ATOM 4484 H1 WAT A1495 22.194 13.894 33.206 1.00 0.00 H -ATOM 4485 H2 WAT A1495 21.131 13.046 33.870 1.00 0.00 H -ATOM 4486 O1 WAT A1496 4.402 6.540 27.305 1.00 0.00 O -ATOM 4487 H1 WAT A1496 4.997 7.131 26.842 1.00 0.00 H -ATOM 4488 H2 WAT A1496 3.534 6.761 26.969 1.00 0.00 H -ATOM 4489 O1 WAT A1497 2.032 18.956 20.959 1.00 0.00 O -ATOM 4490 H1 WAT A1497 1.801 18.370 21.680 1.00 0.00 H -ATOM 4491 H2 WAT A1497 1.842 18.452 20.169 1.00 0.00 H -ATOM 4492 O1 WAT A1498 5.208 35.111 38.282 1.00 0.00 O -ATOM 4493 H1 WAT A1498 6.077 34.726 38.400 1.00 0.00 H -ATOM 4494 H2 WAT A1498 5.376 35.971 37.899 1.00 0.00 H -ATOM 4495 O1 WAT A1499 6.119 10.342 37.328 1.00 0.00 O -ATOM 4496 H1 WAT A1499 5.565 11.123 37.325 1.00 0.00 H -ATOM 4497 H2 WAT A1499 5.549 9.642 37.010 1.00 0.00 H -ATOM 4498 O1 WAT A1500 32.018 21.475 21.706 1.00 0.00 O -ATOM 4499 H1 WAT A1500 32.927 21.360 21.428 1.00 0.00 H -ATOM 4500 H2 WAT A1500 32.076 21.672 22.640 1.00 0.00 H -ATOM 4501 O1 WAT A1501 29.681 4.605 37.583 1.00 0.00 O -ATOM 4502 H1 WAT A1501 30.595 4.365 37.731 1.00 0.00 H -ATOM 4503 H2 WAT A1501 29.243 3.777 37.387 1.00 0.00 H -ATOM 4504 O1 WAT A1502 21.549 36.179 15.144 1.00 0.00 O -ATOM 4505 H1 WAT A1502 21.474 35.243 15.330 1.00 0.00 H -ATOM 4506 H2 WAT A1502 20.863 36.585 15.673 1.00 0.00 H -ATOM 4507 O1 WAT A1503 11.339 6.697 27.413 1.00 0.00 O -ATOM 4508 H1 WAT A1503 11.672 7.584 27.276 1.00 0.00 H -ATOM 4509 H2 WAT A1503 11.021 6.424 26.553 1.00 0.00 H -ATOM 4510 O1 WAT A1504 25.494 34.876 25.642 1.00 0.00 O -ATOM 4511 H1 WAT A1504 25.465 35.651 26.204 1.00 0.00 H -ATOM 4512 H2 WAT A1504 25.528 34.139 26.251 1.00 0.00 H -ATOM 4513 O1 WAT A1505 8.487 2.487 38.329 1.00 0.00 O -ATOM 4514 H1 WAT A1505 7.536 2.572 38.400 1.00 0.00 H -ATOM 4515 H2 WAT A1505 8.626 1.592 38.022 1.00 0.00 H -ATOM 4516 O1 WAT A1506 12.491 16.046 7.793 1.00 0.00 O -ATOM 4517 H1 WAT A1506 12.179 16.678 8.441 1.00 0.00 H -ATOM 4518 H2 WAT A1506 12.180 15.200 8.113 1.00 0.00 H -ATOM 4519 O1 WAT A1507 9.944 9.025 24.006 1.00 0.00 O -ATOM 4520 H1 WAT A1507 10.643 9.122 24.652 1.00 0.00 H -ATOM 4521 H2 WAT A1507 9.478 9.860 24.028 1.00 0.00 H -ATOM 4522 O1 WAT A1508 14.443 28.103 33.144 1.00 0.00 O -ATOM 4523 H1 WAT A1508 13.675 28.669 33.066 1.00 0.00 H -ATOM 4524 H2 WAT A1508 15.095 28.643 33.589 1.00 0.00 H -ATOM 4525 O1 WAT A1509 22.367 25.043 25.540 1.00 0.00 O -ATOM 4526 H1 WAT A1509 21.495 24.921 25.916 1.00 0.00 H -ATOM 4527 H2 WAT A1509 22.308 24.658 24.666 1.00 0.00 H -ATOM 4528 O1 WAT A1510 37.466 3.112 14.653 1.00 0.00 O -ATOM 4529 H1 WAT A1510 37.897 2.280 14.849 1.00 0.00 H -ATOM 4530 H2 WAT A1510 37.351 3.106 13.704 1.00 0.00 H -ATOM 4531 O1 WAT A1511 7.285 3.595 24.341 1.00 0.00 O -ATOM 4532 H1 WAT A1511 6.435 3.480 24.768 1.00 0.00 H -ATOM 4533 H2 WAT A1511 7.620 2.706 24.230 1.00 0.00 H -ATOM 4534 O1 WAT A1512 23.562 5.640 34.802 1.00 0.00 O -ATOM 4535 H1 WAT A1512 22.751 5.216 34.520 1.00 0.00 H -ATOM 4536 H2 WAT A1512 23.896 5.079 35.502 1.00 0.00 H -ATOM 4537 O1 WAT A1513 28.084 16.100 13.413 1.00 0.00 O -ATOM 4538 H1 WAT A1513 28.702 15.781 14.071 1.00 0.00 H -ATOM 4539 H2 WAT A1513 27.515 15.351 13.235 1.00 0.00 H -ATOM 4540 O1 WAT A1514 0.625 31.936 0.443 1.00 0.00 O -ATOM 4541 H1 WAT A1514 1.507 32.223 0.679 1.00 0.00 H -ATOM 4542 H2 WAT A1514 0.119 32.746 0.377 1.00 0.00 H -ATOM 4543 O1 WAT A1515 23.114 30.952 3.461 1.00 0.00 O -ATOM 4544 H1 WAT A1515 23.218 30.405 4.240 1.00 0.00 H -ATOM 4545 H2 WAT A1515 23.518 30.445 2.757 1.00 0.00 H -ATOM 4546 O1 WAT A1516 18.435 16.799 10.194 1.00 0.00 O -ATOM 4547 H1 WAT A1516 18.971 17.499 9.820 1.00 0.00 H -ATOM 4548 H2 WAT A1516 18.879 15.992 9.936 1.00 0.00 H -ATOM 4549 O1 WAT A1517 15.738 33.409 10.468 1.00 0.00 O -ATOM 4550 H1 WAT A1517 15.076 34.101 10.456 1.00 0.00 H -ATOM 4551 H2 WAT A1517 16.441 33.759 11.015 1.00 0.00 H -ATOM 4552 O1 WAT A1518 13.322 20.549 21.056 1.00 0.00 O -ATOM 4553 H1 WAT A1518 12.605 20.395 20.441 1.00 0.00 H -ATOM 4554 H2 WAT A1518 12.916 21.018 21.785 1.00 0.00 H -ATOM 4555 O1 WAT A1519 10.358 28.249 35.869 1.00 0.00 O -ATOM 4556 H1 WAT A1519 10.803 27.996 36.678 1.00 0.00 H -ATOM 4557 H2 WAT A1519 11.065 28.504 35.277 1.00 0.00 H -ATOM 4558 O1 WAT A1520 25.867 19.576 5.577 1.00 0.00 O -ATOM 4559 H1 WAT A1520 25.715 18.632 5.547 1.00 0.00 H -ATOM 4560 H2 WAT A1520 25.002 19.955 5.728 1.00 0.00 H -ATOM 4561 O1 WAT A1521 31.401 20.137 1.114 1.00 0.00 O -ATOM 4562 H1 WAT A1521 30.477 19.954 1.282 1.00 0.00 H -ATOM 4563 H2 WAT A1521 31.504 21.065 1.326 1.00 0.00 H -ATOM 4564 O1 WAT A1522 4.834 25.583 32.234 1.00 0.00 O -ATOM 4565 H1 WAT A1522 5.324 24.837 31.887 1.00 0.00 H -ATOM 4566 H2 WAT A1522 5.448 26.020 32.823 1.00 0.00 H -ATOM 4567 O1 WAT A1523 9.452 19.622 0.457 1.00 0.00 O -ATOM 4568 H1 WAT A1523 9.203 20.426 0.000 1.00 0.00 H -ATOM 4569 H2 WAT A1523 10.257 19.849 0.921 1.00 0.00 H -ATOM 4570 O1 WAT A1524 9.740 24.990 19.946 1.00 0.00 O -ATOM 4571 H1 WAT A1524 10.184 25.642 20.489 1.00 0.00 H -ATOM 4572 H2 WAT A1524 9.329 25.499 19.248 1.00 0.00 H -ATOM 4573 O1 WAT A1525 28.786 16.319 21.416 1.00 0.00 O -ATOM 4574 H1 WAT A1525 29.014 15.585 21.987 1.00 0.00 H -ATOM 4575 H2 WAT A1525 27.977 16.046 20.985 1.00 0.00 H -ATOM 4576 O1 WAT A1526 19.124 2.531 23.981 1.00 0.00 O -ATOM 4577 H1 WAT A1526 18.965 3.387 23.584 1.00 0.00 H -ATOM 4578 H2 WAT A1526 18.268 2.102 23.977 1.00 0.00 H -ATOM 4579 O1 WAT A1527 5.592 28.995 13.012 1.00 0.00 O -ATOM 4580 H1 WAT A1527 6.489 28.683 12.888 1.00 0.00 H -ATOM 4581 H2 WAT A1527 5.655 29.946 12.929 1.00 0.00 H -ATOM 4582 O1 WAT A1528 6.274 5.979 3.021 1.00 0.00 O -ATOM 4583 H1 WAT A1528 6.328 5.024 2.975 1.00 0.00 H -ATOM 4584 H2 WAT A1528 7.054 6.286 2.561 1.00 0.00 H -ATOM 4585 O1 WAT A1529 3.629 18.777 38.398 1.00 0.00 O -ATOM 4586 H1 WAT A1529 3.449 17.930 37.991 1.00 0.00 H -ATOM 4587 H2 WAT A1529 4.582 18.860 38.368 1.00 0.00 H -ATOM 4588 O1 WAT A1530 29.972 0.174 13.201 1.00 0.00 O -ATOM 4589 H1 WAT A1530 29.722 0.011 12.291 1.00 0.00 H -ATOM 4590 H2 WAT A1530 30.916 0.019 13.222 1.00 0.00 H -ATOM 4591 O1 WAT A1531 9.591 12.417 10.922 1.00 0.00 O -ATOM 4592 H1 WAT A1531 10.394 11.895 10.900 1.00 0.00 H -ATOM 4593 H2 WAT A1531 9.353 12.530 10.003 1.00 0.00 H -ATOM 4594 O1 WAT A1532 15.672 34.898 21.525 1.00 0.00 O -ATOM 4595 H1 WAT A1532 16.002 34.482 20.728 1.00 0.00 H -ATOM 4596 H2 WAT A1532 15.182 35.658 21.214 1.00 0.00 H -ATOM 4597 O1 WAT A1533 22.714 25.441 3.919 1.00 0.00 O -ATOM 4598 H1 WAT A1533 23.084 25.952 3.199 1.00 0.00 H -ATOM 4599 H2 WAT A1533 22.802 26.008 4.685 1.00 0.00 H -ATOM 4600 O1 WAT A1534 7.551 20.089 4.018 1.00 0.00 O -ATOM 4601 H1 WAT A1534 6.621 20.315 4.011 1.00 0.00 H -ATOM 4602 H2 WAT A1534 7.988 20.876 4.342 1.00 0.00 H -ATOM 4603 O1 WAT A1535 20.914 31.493 15.279 1.00 0.00 O -ATOM 4604 H1 WAT A1535 20.630 30.636 14.962 1.00 0.00 H -ATOM 4605 H2 WAT A1535 20.132 31.872 15.679 1.00 0.00 H -ATOM 4606 O1 WAT A1536 22.417 4.274 25.105 1.00 0.00 O -ATOM 4607 H1 WAT A1536 23.018 3.556 25.309 1.00 0.00 H -ATOM 4608 H2 WAT A1536 21.750 3.878 24.546 1.00 0.00 H -ATOM 4609 O1 WAT A1537 33.460 21.097 27.556 1.00 0.00 O -ATOM 4610 H1 WAT A1537 34.071 21.467 28.193 1.00 0.00 H -ATOM 4611 H2 WAT A1537 33.468 21.716 26.827 1.00 0.00 H -ATOM 4612 O1 WAT A1538 24.671 19.438 20.933 1.00 0.00 O -ATOM 4613 H1 WAT A1538 23.747 19.684 20.872 1.00 0.00 H -ATOM 4614 H2 WAT A1538 24.693 18.521 20.659 1.00 0.00 H -ATOM 4615 O1 WAT A1539 1.137 15.857 13.375 1.00 0.00 O -ATOM 4616 H1 WAT A1539 1.329 16.544 14.014 1.00 0.00 H -ATOM 4617 H2 WAT A1539 0.369 16.176 12.902 1.00 0.00 H -ATOM 4618 O1 WAT A1540 13.994 29.260 38.217 1.00 0.00 O -ATOM 4619 H1 WAT A1540 13.238 28.700 38.396 1.00 0.00 H -ATOM 4620 H2 WAT A1540 13.683 30.147 38.398 1.00 0.00 H -ATOM 4621 O1 WAT A1541 30.648 22.610 3.964 1.00 0.00 O -ATOM 4622 H1 WAT A1541 30.152 22.123 4.623 1.00 0.00 H -ATOM 4623 H2 WAT A1541 30.821 23.458 4.371 1.00 0.00 H -ATOM 4624 O1 WAT A1542 28.673 7.102 34.856 1.00 0.00 O -ATOM 4625 H1 WAT A1542 27.778 6.769 34.799 1.00 0.00 H -ATOM 4626 H2 WAT A1542 28.603 7.889 35.396 1.00 0.00 H -ATOM 4627 O1 WAT A1543 11.063 7.893 10.676 1.00 0.00 O -ATOM 4628 H1 WAT A1543 11.121 8.527 11.391 1.00 0.00 H -ATOM 4629 H2 WAT A1543 10.212 7.474 10.795 1.00 0.00 H -ATOM 4630 O1 WAT A1544 27.258 13.866 6.718 1.00 0.00 O -ATOM 4631 H1 WAT A1544 27.753 13.625 7.501 1.00 0.00 H -ATOM 4632 H2 WAT A1544 26.447 14.246 7.054 1.00 0.00 H -ATOM 4633 O1 WAT A1545 3.452 31.087 27.856 1.00 0.00 O -ATOM 4634 H1 WAT A1545 3.642 30.174 28.072 1.00 0.00 H -ATOM 4635 H2 WAT A1545 3.589 31.145 26.911 1.00 0.00 H -ATOM 4636 O1 WAT A1546 3.970 28.767 29.731 1.00 0.00 O -ATOM 4637 H1 WAT A1546 3.250 29.157 30.228 1.00 0.00 H -ATOM 4638 H2 WAT A1546 4.695 29.382 29.837 1.00 0.00 H -ATOM 4639 O1 WAT A1547 0.183 28.075 28.719 1.00 0.00 O -ATOM 4640 H1 WAT A1547 0.002 28.994 28.519 1.00 0.00 H -ATOM 4641 H2 WAT A1547 0.001 27.611 27.903 1.00 0.00 H -ATOM 4642 O1 WAT A1548 10.906 14.131 37.979 1.00 0.00 O -ATOM 4643 H1 WAT A1548 11.767 14.097 38.396 1.00 0.00 H -ATOM 4644 H2 WAT A1548 10.871 14.994 37.568 1.00 0.00 H -ATOM 4645 O1 WAT A1549 20.557 34.472 12.968 1.00 0.00 O -ATOM 4646 H1 WAT A1549 21.331 35.006 13.147 1.00 0.00 H -ATOM 4647 H2 WAT A1549 19.948 35.068 12.534 1.00 0.00 H -ATOM 4648 O1 WAT A1550 16.131 27.621 7.126 1.00 0.00 O -ATOM 4649 H1 WAT A1550 15.888 27.738 8.045 1.00 0.00 H -ATOM 4650 H2 WAT A1550 16.998 27.218 7.157 1.00 0.00 H -ATOM 4651 O1 WAT A1551 25.397 31.305 1.423 1.00 0.00 O -ATOM 4652 H1 WAT A1551 25.585 30.576 2.015 1.00 0.00 H -ATOM 4653 H2 WAT A1551 25.351 30.905 0.556 1.00 0.00 H -ATOM 4654 O1 WAT A1552 14.014 13.798 1.740 1.00 0.00 O -ATOM 4655 H1 WAT A1552 14.693 13.130 1.653 1.00 0.00 H -ATOM 4656 H2 WAT A1552 14.076 14.311 0.935 1.00 0.00 H -ATOM 4657 O1 WAT A1553 17.286 23.838 4.480 1.00 0.00 O -ATOM 4658 H1 WAT A1553 16.509 23.282 4.411 1.00 0.00 H -ATOM 4659 H2 WAT A1553 16.939 24.717 4.628 1.00 0.00 H -ATOM 4660 O1 WAT A1554 28.653 28.720 20.849 1.00 0.00 O -ATOM 4661 H1 WAT A1554 29.605 28.641 20.907 1.00 0.00 H -ATOM 4662 H2 WAT A1554 28.477 29.644 21.025 1.00 0.00 H -ATOM 4663 O1 WAT A1555 29.264 23.128 18.498 1.00 0.00 O -ATOM 4664 H1 WAT A1555 29.410 22.481 19.189 1.00 0.00 H -ATOM 4665 H2 WAT A1555 29.736 23.906 18.794 1.00 0.00 H -ATOM 4666 O1 WAT A1556 16.711 13.405 32.474 1.00 0.00 O -ATOM 4667 H1 WAT A1556 17.355 14.072 32.710 1.00 0.00 H -ATOM 4668 H2 WAT A1556 17.121 12.577 32.723 1.00 0.00 H -ATOM 4669 O1 WAT A1557 5.912 10.406 5.226 1.00 0.00 O -ATOM 4670 H1 WAT A1557 6.462 9.671 4.954 1.00 0.00 H -ATOM 4671 H2 WAT A1557 6.398 11.184 4.952 1.00 0.00 H -ATOM 4672 O1 WAT A1558 19.814 36.089 38.085 1.00 0.00 O -ATOM 4673 H1 WAT A1558 20.301 36.906 37.981 1.00 0.00 H -ATOM 4674 H2 WAT A1558 20.488 35.418 38.189 1.00 0.00 H -ATOM 4675 O1 WAT A1559 29.796 19.037 26.209 1.00 0.00 O -ATOM 4676 H1 WAT A1559 30.233 18.200 26.367 1.00 0.00 H -ATOM 4677 H2 WAT A1559 29.929 19.533 27.016 1.00 0.00 H -ATOM 4678 O1 WAT A1560 16.763 38.370 9.842 1.00 0.00 O -ATOM 4679 H1 WAT A1560 15.834 38.394 10.076 1.00 0.00 H -ATOM 4680 H2 WAT A1560 17.222 38.397 10.681 1.00 0.00 H -ATOM 4681 O1 WAT A1561 35.350 13.688 32.166 1.00 0.00 O -ATOM 4682 H1 WAT A1561 35.079 14.339 31.519 1.00 0.00 H -ATOM 4683 H2 WAT A1561 36.277 13.537 31.981 1.00 0.00 H -ATOM 4684 O1 WAT A1562 38.028 10.915 0.553 1.00 0.00 O -ATOM 4685 H1 WAT A1562 37.970 11.870 0.592 1.00 0.00 H -ATOM 4686 H2 WAT A1562 37.186 10.638 0.195 1.00 0.00 H -ATOM 4687 O1 WAT A1563 31.347 13.022 13.737 1.00 0.00 O -ATOM 4688 H1 WAT A1563 31.102 12.097 13.774 1.00 0.00 H -ATOM 4689 H2 WAT A1563 32.224 13.023 13.355 1.00 0.00 H -ATOM 4690 O1 WAT A1564 2.475 19.385 29.269 1.00 0.00 O -ATOM 4691 H1 WAT A1564 3.301 18.904 29.324 1.00 0.00 H -ATOM 4692 H2 WAT A1564 1.990 18.951 28.567 1.00 0.00 H -ATOM 4693 O1 WAT A1565 20.651 25.985 5.147 1.00 0.00 O -ATOM 4694 H1 WAT A1565 20.224 25.721 5.962 1.00 0.00 H -ATOM 4695 H2 WAT A1565 20.019 26.561 4.720 1.00 0.00 H -ATOM 4696 O1 WAT A1566 9.060 9.861 36.513 1.00 0.00 O -ATOM 4697 H1 WAT A1566 9.679 9.150 36.681 1.00 0.00 H -ATOM 4698 H2 WAT A1566 9.462 10.630 36.916 1.00 0.00 H -ATOM 4699 O1 WAT A1567 38.147 19.758 17.431 1.00 0.00 O -ATOM 4700 H1 WAT A1567 38.400 19.482 16.549 1.00 0.00 H -ATOM 4701 H2 WAT A1567 37.754 20.621 17.309 1.00 0.00 H -ATOM 4702 O1 WAT A1568 31.831 32.811 30.492 1.00 0.00 O -ATOM 4703 H1 WAT A1568 32.447 33.192 29.866 1.00 0.00 H -ATOM 4704 H2 WAT A1568 32.337 32.140 30.949 1.00 0.00 H -ATOM 4705 O1 WAT A1569 5.146 26.640 25.284 1.00 0.00 O -ATOM 4706 H1 WAT A1569 4.998 27.247 24.558 1.00 0.00 H -ATOM 4707 H2 WAT A1569 4.345 26.689 25.804 1.00 0.00 H -ATOM 4708 O1 WAT A1570 1.617 11.766 36.152 1.00 0.00 O -ATOM 4709 H1 WAT A1570 0.978 11.054 36.151 1.00 0.00 H -ATOM 4710 H2 WAT A1570 2.139 11.621 35.363 1.00 0.00 H -ATOM 4711 O1 WAT A1571 2.373 1.352 17.018 1.00 0.00 O -ATOM 4712 H1 WAT A1571 2.075 0.987 16.185 1.00 0.00 H -ATOM 4713 H2 WAT A1571 2.415 0.601 17.609 1.00 0.00 H -ATOM 4714 O1 WAT A1572 12.730 18.386 31.057 1.00 0.00 O -ATOM 4715 H1 WAT A1572 13.380 17.682 31.049 1.00 0.00 H -ATOM 4716 H2 WAT A1572 12.088 18.113 31.711 1.00 0.00 H -ATOM 4717 O1 WAT A1573 26.492 3.621 30.238 1.00 0.00 O -ATOM 4718 H1 WAT A1573 26.474 2.965 29.541 1.00 0.00 H -ATOM 4719 H2 WAT A1573 26.723 3.128 31.025 1.00 0.00 H -ATOM 4720 O1 WAT A1574 7.268 36.176 9.134 1.00 0.00 O -ATOM 4721 H1 WAT A1574 7.421 37.120 9.174 1.00 0.00 H -ATOM 4722 H2 WAT A1574 8.106 35.787 9.382 1.00 0.00 H -ATOM 4723 O1 WAT A1575 29.871 6.599 12.576 1.00 0.00 O -ATOM 4724 H1 WAT A1575 30.641 6.548 13.143 1.00 0.00 H -ATOM 4725 H2 WAT A1575 29.811 7.523 12.334 1.00 0.00 H -ATOM 4726 O1 WAT A1576 34.674 8.592 5.862 1.00 0.00 O -ATOM 4727 H1 WAT A1576 34.375 8.424 4.969 1.00 0.00 H -ATOM 4728 H2 WAT A1576 34.153 9.340 6.153 1.00 0.00 H -ATOM 4729 O1 WAT A1577 0.344 35.493 1.056 1.00 0.00 O -ATOM 4730 H1 WAT A1577 0.457 36.172 0.391 1.00 0.00 H -ATOM 4731 H2 WAT A1577 1.191 35.446 1.498 1.00 0.00 H -ATOM 4732 O1 WAT A1578 38.113 21.186 19.405 1.00 0.00 O -ATOM 4733 H1 WAT A1578 38.398 21.643 20.196 1.00 0.00 H -ATOM 4734 H2 WAT A1578 38.344 20.270 19.561 1.00 0.00 H -ATOM 4735 O1 WAT A1579 26.703 22.250 7.953 1.00 0.00 O -ATOM 4736 H1 WAT A1579 25.778 22.137 7.734 1.00 0.00 H -ATOM 4737 H2 WAT A1579 26.933 23.106 7.593 1.00 0.00 H -ATOM 4738 O1 WAT A1580 7.084 6.262 35.542 1.00 0.00 O -ATOM 4739 H1 WAT A1580 6.270 5.758 35.551 1.00 0.00 H -ATOM 4740 H2 WAT A1580 7.756 5.628 35.296 1.00 0.00 H -ATOM 4741 O1 WAT A1581 9.235 16.931 17.531 1.00 0.00 O -ATOM 4742 H1 WAT A1581 9.146 15.983 17.438 1.00 0.00 H -ATOM 4743 H2 WAT A1581 8.336 17.254 17.579 1.00 0.00 H -ATOM 4744 O1 WAT A1582 16.097 15.629 24.292 1.00 0.00 O -ATOM 4745 H1 WAT A1582 16.340 14.858 23.779 1.00 0.00 H -ATOM 4746 H2 WAT A1582 15.245 15.410 24.667 1.00 0.00 H -ATOM 4747 O1 WAT A1583 31.628 11.313 1.775 1.00 0.00 O -ATOM 4748 H1 WAT A1583 31.756 10.940 2.647 1.00 0.00 H -ATOM 4749 H2 WAT A1583 32.213 12.070 1.749 1.00 0.00 H -ATOM 4750 O1 WAT A1584 0.616 28.040 2.767 1.00 0.00 O -ATOM 4751 H1 WAT A1584 1.356 27.647 3.229 1.00 0.00 H -ATOM 4752 H2 WAT A1584 0.124 27.295 2.424 1.00 0.00 H -ATOM 4753 O1 WAT A1585 33.131 36.048 31.483 1.00 0.00 O -ATOM 4754 H1 WAT A1585 32.407 35.962 32.104 1.00 0.00 H -ATOM 4755 H2 WAT A1585 33.915 35.871 32.001 1.00 0.00 H -ATOM 4756 O1 WAT A1586 35.182 25.081 8.357 1.00 0.00 O -ATOM 4757 H1 WAT A1586 34.618 24.724 9.044 1.00 0.00 H -ATOM 4758 H2 WAT A1586 35.905 25.492 8.829 1.00 0.00 H -ATOM 4759 O1 WAT A1587 7.632 12.867 22.007 1.00 0.00 O -ATOM 4760 H1 WAT A1587 7.241 13.724 21.835 1.00 0.00 H -ATOM 4761 H2 WAT A1587 7.048 12.245 21.573 1.00 0.00 H -ATOM 4762 O1 WAT A1588 0.434 27.737 22.550 1.00 0.00 O -ATOM 4763 H1 WAT A1588 0.003 27.088 23.107 1.00 0.00 H -ATOM 4764 H2 WAT A1588 0.007 27.645 21.699 1.00 0.00 H -ATOM 4765 O1 WAT A1589 25.471 30.602 35.278 1.00 0.00 O -ATOM 4766 H1 WAT A1589 24.775 30.039 34.940 1.00 0.00 H -ATOM 4767 H2 WAT A1589 25.672 31.197 34.556 1.00 0.00 H -ATOM 4768 O1 WAT A1590 15.015 20.313 24.578 1.00 0.00 O -ATOM 4769 H1 WAT A1590 15.056 19.421 24.924 1.00 0.00 H -ATOM 4770 H2 WAT A1590 14.329 20.738 25.090 1.00 0.00 H -ATOM 4771 O1 WAT A1591 37.469 23.206 4.629 1.00 0.00 O -ATOM 4772 H1 WAT A1591 38.400 23.421 4.682 1.00 0.00 H -ATOM 4773 H2 WAT A1591 37.411 22.309 4.956 1.00 0.00 H -ATOM 4774 O1 WAT A1592 4.770 24.590 24.347 1.00 0.00 O -ATOM 4775 H1 WAT A1592 3.989 24.722 24.885 1.00 0.00 H -ATOM 4776 H2 WAT A1592 5.419 24.231 24.951 1.00 0.00 H -ATOM 4777 O1 WAT A1593 38.167 25.947 36.573 1.00 0.00 O -ATOM 4778 H1 WAT A1593 38.013 25.005 36.655 1.00 0.00 H -ATOM 4779 H2 WAT A1593 37.293 26.336 36.603 1.00 0.00 H -ATOM 4780 O1 WAT A1594 18.559 32.833 34.174 1.00 0.00 O -ATOM 4781 H1 WAT A1594 18.224 33.724 34.276 1.00 0.00 H -ATOM 4782 H2 WAT A1594 19.333 32.802 34.735 1.00 0.00 H -ATOM 4783 O1 WAT A1595 12.833 30.552 26.464 1.00 0.00 O -ATOM 4784 H1 WAT A1595 12.012 30.942 26.164 1.00 0.00 H -ATOM 4785 H2 WAT A1595 12.564 29.793 26.981 1.00 0.00 H -ATOM 4786 O1 WAT A1596 17.590 30.850 10.919 1.00 0.00 O -ATOM 4787 H1 WAT A1596 16.969 31.440 10.493 1.00 0.00 H -ATOM 4788 H2 WAT A1596 18.449 31.149 10.622 1.00 0.00 H -ATOM 4789 O1 WAT A1597 18.194 24.634 37.867 1.00 0.00 O -ATOM 4790 H1 WAT A1597 18.570 23.997 37.259 1.00 0.00 H -ATOM 4791 H2 WAT A1597 18.026 25.408 37.330 1.00 0.00 H -ATOM 4792 O1 WAT A1598 9.358 30.258 28.706 1.00 0.00 O -ATOM 4793 H1 WAT A1598 9.415 29.304 28.755 1.00 0.00 H -ATOM 4794 H2 WAT A1598 8.444 30.434 28.484 1.00 0.00 H -ATOM 4795 O1 WAT A1599 17.330 1.658 35.185 1.00 0.00 O -ATOM 4796 H1 WAT A1599 16.784 0.923 34.905 1.00 0.00 H -ATOM 4797 H2 WAT A1599 16.724 2.395 35.255 1.00 0.00 H -ATOM 4798 O1 WAT A1600 3.534 0.000 31.219 1.00 0.00 O -ATOM 4799 H1 WAT A1600 2.630 0.188 31.470 1.00 0.00 H -ATOM 4800 H2 WAT A1600 3.808 0.765 30.715 1.00 0.00 H -ATOM 4801 O1 WAT A1601 24.914 33.114 16.875 1.00 0.00 O -ATOM 4802 H1 WAT A1601 24.421 32.516 17.438 1.00 0.00 H -ATOM 4803 H2 WAT A1601 24.290 33.376 16.199 1.00 0.00 H -ATOM 4804 O1 WAT A1602 37.836 8.783 28.241 1.00 0.00 O -ATOM 4805 H1 WAT A1602 38.352 8.045 28.566 1.00 0.00 H -ATOM 4806 H2 WAT A1602 37.686 9.330 29.012 1.00 0.00 H -ATOM 4807 O1 WAT A1603 3.891 6.596 29.443 1.00 0.00 O -ATOM 4808 H1 WAT A1603 3.134 6.010 29.452 1.00 0.00 H -ATOM 4809 H2 WAT A1603 3.547 7.436 29.747 1.00 0.00 H -ATOM 4810 O1 WAT A1604 6.930 23.204 28.041 1.00 0.00 O -ATOM 4811 H1 WAT A1604 6.286 23.912 28.064 1.00 0.00 H -ATOM 4812 H2 WAT A1604 7.737 23.602 28.363 1.00 0.00 H -ATOM 4813 O1 WAT A1605 27.294 1.847 24.902 1.00 0.00 O -ATOM 4814 H1 WAT A1605 27.136 0.904 24.865 1.00 0.00 H -ATOM 4815 H2 WAT A1605 28.215 1.946 24.663 1.00 0.00 H -ATOM 4816 O1 WAT A1606 35.728 36.992 19.562 1.00 0.00 O -ATOM 4817 H1 WAT A1606 34.775 37.014 19.479 1.00 0.00 H -ATOM 4818 H2 WAT A1606 35.885 36.851 20.495 1.00 0.00 H -ATOM 4819 O1 WAT A1607 14.429 17.472 6.946 1.00 0.00 O -ATOM 4820 H1 WAT A1607 15.307 17.602 6.588 1.00 0.00 H -ATOM 4821 H2 WAT A1607 14.560 16.905 7.705 1.00 0.00 H -ATOM 4822 O1 WAT A1608 3.039 28.482 11.311 1.00 0.00 O -ATOM 4823 H1 WAT A1608 2.717 27.993 12.068 1.00 0.00 H -ATOM 4824 H2 WAT A1608 2.293 28.523 10.715 1.00 0.00 H -ATOM 4825 O1 WAT A1609 28.719 16.228 31.920 1.00 0.00 O -ATOM 4826 H1 WAT A1609 28.151 16.998 31.947 1.00 0.00 H -ATOM 4827 H2 WAT A1609 29.538 16.519 32.320 1.00 0.00 H -ATOM 4828 O1 WAT A1610 35.355 3.147 17.192 1.00 0.00 O -ATOM 4829 H1 WAT A1610 34.800 3.906 17.373 1.00 0.00 H -ATOM 4830 H2 WAT A1610 36.249 3.484 17.252 1.00 0.00 H -ATOM 4831 O1 WAT A1611 30.800 28.374 13.756 1.00 0.00 O -ATOM 4832 H1 WAT A1611 29.992 28.057 14.160 1.00 0.00 H -ATOM 4833 H2 WAT A1611 31.014 29.170 14.241 1.00 0.00 H -ATOM 4834 O1 WAT A1612 9.922 28.714 26.531 1.00 0.00 O -ATOM 4835 H1 WAT A1612 10.209 29.609 26.717 1.00 0.00 H -ATOM 4836 H2 WAT A1612 8.976 28.731 26.669 1.00 0.00 H -ATOM 4837 O1 WAT A1613 28.936 12.373 25.122 1.00 0.00 O -ATOM 4838 H1 WAT A1613 28.102 12.838 25.193 1.00 0.00 H -ATOM 4839 H2 WAT A1613 29.575 12.964 25.518 1.00 0.00 H -ATOM 4840 O1 WAT A1614 10.191 2.158 7.803 1.00 0.00 O -ATOM 4841 H1 WAT A1614 10.196 1.227 7.579 1.00 0.00 H -ATOM 4842 H2 WAT A1614 9.758 2.581 7.062 1.00 0.00 H -ATOM 4843 O1 WAT A1615 7.023 32.402 13.546 1.00 0.00 O -ATOM 4844 H1 WAT A1615 6.367 31.814 13.919 1.00 0.00 H -ATOM 4845 H2 WAT A1615 7.545 31.845 12.970 1.00 0.00 H -ATOM 4846 O1 WAT A1616 7.615 18.426 31.752 1.00 0.00 O -ATOM 4847 H1 WAT A1616 8.461 17.977 31.724 1.00 0.00 H -ATOM 4848 H2 WAT A1616 6.992 17.749 32.012 1.00 0.00 H -ATOM 4849 O1 WAT A1617 6.466 34.130 31.881 1.00 0.00 O -ATOM 4850 H1 WAT A1617 6.028 33.300 31.693 1.00 0.00 H -ATOM 4851 H2 WAT A1617 6.844 34.398 31.044 1.00 0.00 H -ATOM 4852 O1 WAT A1618 0.042 34.650 20.863 1.00 0.00 O -ATOM 4853 H1 WAT A1618 0.001 34.627 19.906 1.00 0.00 H -ATOM 4854 H2 WAT A1618 0.187 33.739 21.118 1.00 0.00 H -ATOM 4855 O1 WAT A1619 32.842 16.988 14.350 1.00 0.00 O -ATOM 4856 H1 WAT A1619 31.951 16.640 14.372 1.00 0.00 H -ATOM 4857 H2 WAT A1619 32.780 17.835 14.790 1.00 0.00 H -ATOM 4858 O1 WAT A1620 18.468 34.954 32.352 1.00 0.00 O -ATOM 4859 H1 WAT A1620 19.343 34.842 32.724 1.00 0.00 H -ATOM 4860 H2 WAT A1620 18.363 35.901 32.265 1.00 0.00 H -ATOM 4861 O1 WAT A1621 8.182 26.263 25.897 1.00 0.00 O -ATOM 4862 H1 WAT A1621 7.277 26.566 25.826 1.00 0.00 H -ATOM 4863 H2 WAT A1621 8.164 25.369 25.559 1.00 0.00 H -ATOM 4864 O1 WAT A1622 21.867 3.368 3.903 1.00 0.00 O -ATOM 4865 H1 WAT A1622 21.211 3.966 4.262 1.00 0.00 H -ATOM 4866 H2 WAT A1622 22.221 2.914 4.667 1.00 0.00 H -ATOM 4867 O1 WAT A1623 26.622 32.254 30.288 1.00 0.00 O -ATOM 4868 H1 WAT A1623 26.088 32.260 31.082 1.00 0.00 H -ATOM 4869 H2 WAT A1623 27.005 31.378 30.263 1.00 0.00 H -ATOM 4870 O1 WAT A1624 5.950 23.988 36.972 1.00 0.00 O -ATOM 4871 H1 WAT A1624 6.397 23.145 37.051 1.00 0.00 H -ATOM 4872 H2 WAT A1624 5.082 23.836 37.346 1.00 0.00 H -ATOM 4873 O1 WAT A1625 11.503 21.786 8.198 1.00 0.00 O -ATOM 4874 H1 WAT A1625 11.733 20.860 8.277 1.00 0.00 H -ATOM 4875 H2 WAT A1625 10.569 21.819 8.403 1.00 0.00 H -ATOM 4876 O1 WAT A1626 32.241 34.127 19.563 1.00 0.00 O -ATOM 4877 H1 WAT A1626 31.535 34.703 19.269 1.00 0.00 H -ATOM 4878 H2 WAT A1626 31.895 33.243 19.446 1.00 0.00 H -ATOM 4879 O1 WAT A1627 17.340 8.414 28.041 1.00 0.00 O -ATOM 4880 H1 WAT A1627 16.575 8.776 28.489 1.00 0.00 H -ATOM 4881 H2 WAT A1627 17.922 9.163 27.918 1.00 0.00 H -ATOM 4882 O1 WAT A1628 19.665 37.301 21.905 1.00 0.00 O -ATOM 4883 H1 WAT A1628 19.357 37.401 21.005 1.00 0.00 H -ATOM 4884 H2 WAT A1628 20.425 36.724 21.836 1.00 0.00 H -ATOM 4885 O1 WAT A1629 30.440 24.401 20.819 1.00 0.00 O -ATOM 4886 H1 WAT A1629 29.590 23.994 20.987 1.00 0.00 H -ATOM 4887 H2 WAT A1629 31.058 23.671 20.807 1.00 0.00 H -ATOM 4888 O1 WAT A1630 36.092 7.765 1.777 1.00 0.00 O -ATOM 4889 H1 WAT A1630 36.827 8.377 1.832 1.00 0.00 H -ATOM 4890 H2 WAT A1630 35.622 7.879 2.602 1.00 0.00 H -ATOM 4891 O1 WAT A1631 13.892 25.428 31.683 1.00 0.00 O -ATOM 4892 H1 WAT A1631 14.286 26.109 32.228 1.00 0.00 H -ATOM 4893 H2 WAT A1631 14.407 24.643 31.871 1.00 0.00 H -ATOM 4894 O1 WAT A1632 10.173 20.597 6.096 1.00 0.00 O -ATOM 4895 H1 WAT A1632 10.337 21.540 6.119 1.00 0.00 H -ATOM 4896 H2 WAT A1632 11.020 20.201 6.298 1.00 0.00 H -ATOM 4897 O1 WAT A1633 16.307 36.428 25.044 1.00 0.00 O -ATOM 4898 H1 WAT A1633 15.633 37.074 25.256 1.00 0.00 H -ATOM 4899 H2 WAT A1633 15.843 35.745 24.562 1.00 0.00 H -ATOM 4900 O1 WAT A1634 36.558 13.265 29.817 1.00 0.00 O -ATOM 4901 H1 WAT A1634 37.478 13.386 29.583 1.00 0.00 H -ATOM 4902 H2 WAT A1634 36.143 14.100 29.599 1.00 0.00 H -ATOM 4903 O1 WAT A1635 33.953 28.653 17.015 1.00 0.00 O -ATOM 4904 H1 WAT A1635 34.248 27.769 16.800 1.00 0.00 H -ATOM 4905 H2 WAT A1635 34.482 29.225 16.460 1.00 0.00 H -ATOM 4906 O1 WAT A1636 5.702 19.007 9.855 1.00 0.00 O -ATOM 4907 H1 WAT A1636 4.787 19.287 9.828 1.00 0.00 H -ATOM 4908 H2 WAT A1636 6.190 19.746 9.493 1.00 0.00 H -ATOM 4909 O1 WAT A1637 33.042 3.551 36.503 1.00 0.00 O -ATOM 4910 H1 WAT A1637 32.186 3.916 36.279 1.00 0.00 H -ATOM 4911 H2 WAT A1637 33.594 4.315 36.666 1.00 0.00 H -ATOM 4912 O1 WAT A1638 7.171 15.703 22.796 1.00 0.00 O -ATOM 4913 H1 WAT A1638 7.855 15.637 23.462 1.00 0.00 H -ATOM 4914 H2 WAT A1638 7.611 16.081 22.035 1.00 0.00 H -ATOM 4915 O1 WAT A1639 17.362 24.464 13.623 1.00 0.00 O -ATOM 4916 H1 WAT A1639 18.048 24.441 14.290 1.00 0.00 H -ATOM 4917 H2 WAT A1639 16.608 24.851 14.067 1.00 0.00 H -ATOM 4918 O1 WAT A1640 35.171 13.346 24.503 1.00 0.00 O -ATOM 4919 H1 WAT A1640 35.388 12.648 23.884 1.00 0.00 H -ATOM 4920 H2 WAT A1640 35.702 13.156 25.275 1.00 0.00 H -ATOM 4921 O1 WAT A1641 12.494 32.788 1.096 1.00 0.00 O -ATOM 4922 H1 WAT A1641 12.027 33.194 0.366 1.00 0.00 H -ATOM 4923 H2 WAT A1641 11.804 32.443 1.662 1.00 0.00 H -ATOM 4924 O1 WAT A1642 16.951 19.009 8.166 1.00 0.00 O -ATOM 4925 H1 WAT A1642 17.492 19.795 8.089 1.00 0.00 H -ATOM 4926 H2 WAT A1642 16.088 19.279 7.852 1.00 0.00 H -ATOM 4927 O1 WAT A1643 37.149 7.702 13.200 1.00 0.00 O -ATOM 4928 H1 WAT A1643 38.028 7.395 12.980 1.00 0.00 H -ATOM 4929 H2 WAT A1643 37.093 8.573 12.809 1.00 0.00 H -ATOM 4930 O1 WAT A1644 22.918 4.417 22.048 1.00 0.00 O -ATOM 4931 H1 WAT A1644 23.275 5.256 22.340 1.00 0.00 H -ATOM 4932 H2 WAT A1644 23.671 3.827 22.037 1.00 0.00 H -ATOM 4933 O1 WAT A1645 18.067 9.110 23.241 1.00 0.00 O -ATOM 4934 H1 WAT A1645 18.104 9.478 24.125 1.00 0.00 H -ATOM 4935 H2 WAT A1645 18.837 8.546 23.183 1.00 0.00 H -ATOM 4936 O1 WAT A1646 31.840 31.414 2.682 1.00 0.00 O -ATOM 4937 H1 WAT A1646 32.108 32.239 3.088 1.00 0.00 H -ATOM 4938 H2 WAT A1646 32.225 30.737 3.238 1.00 0.00 H -ATOM 4939 O1 WAT A1647 33.122 12.675 6.591 1.00 0.00 O -ATOM 4940 H1 WAT A1647 32.697 12.452 7.420 1.00 0.00 H -ATOM 4941 H2 WAT A1647 33.549 13.515 6.758 1.00 0.00 H -ATOM 4942 O1 WAT A1648 37.997 9.341 15.082 1.00 0.00 O -ATOM 4943 H1 WAT A1648 37.053 9.206 14.993 1.00 0.00 H -ATOM 4944 H2 WAT A1648 38.383 8.497 14.852 1.00 0.00 H -ATOM 4945 O1 WAT A1649 7.138 12.561 14.620 1.00 0.00 O -ATOM 4946 H1 WAT A1649 6.808 11.913 15.243 1.00 0.00 H -ATOM 4947 H2 WAT A1649 6.473 12.594 13.933 1.00 0.00 H -ATOM 4948 O1 WAT A1650 31.460 8.190 0.086 1.00 0.00 O -ATOM 4949 H1 WAT A1650 31.502 7.238 0.001 1.00 0.00 H -ATOM 4950 H2 WAT A1650 32.159 8.407 0.702 1.00 0.00 H -ATOM 4951 O1 WAT A1651 29.614 9.238 22.004 1.00 0.00 O -ATOM 4952 H1 WAT A1651 28.682 9.455 22.036 1.00 0.00 H -ATOM 4953 H2 WAT A1651 29.645 8.369 21.606 1.00 0.00 H -ATOM 4954 O1 WAT A1652 32.408 12.088 22.101 1.00 0.00 O -ATOM 4955 H1 WAT A1652 31.891 11.735 22.825 1.00 0.00 H -ATOM 4956 H2 WAT A1652 32.120 11.591 21.336 1.00 0.00 H -ATOM 4957 O1 WAT A1653 14.023 26.082 10.050 1.00 0.00 O -ATOM 4958 H1 WAT A1653 14.482 26.921 10.022 1.00 0.00 H -ATOM 4959 H2 WAT A1653 14.433 25.560 9.362 1.00 0.00 H -ATOM 4960 O1 WAT A1654 21.363 5.092 26.996 1.00 0.00 O -ATOM 4961 H1 WAT A1654 20.778 5.811 26.756 1.00 0.00 H -ATOM 4962 H2 WAT A1654 20.788 4.436 27.388 1.00 0.00 H -ATOM 4963 O1 WAT A1655 33.939 27.000 3.352 1.00 0.00 O -ATOM 4964 H1 WAT A1655 34.794 26.570 3.316 1.00 0.00 H -ATOM 4965 H2 WAT A1655 34.101 27.884 3.025 1.00 0.00 H -ATOM 4966 O1 WAT A1656 34.913 29.405 25.720 1.00 0.00 O -ATOM 4967 H1 WAT A1656 35.830 29.673 25.786 1.00 0.00 H -ATOM 4968 H2 WAT A1656 34.484 30.130 25.267 1.00 0.00 H -ATOM 4969 O1 WAT A1657 26.861 7.747 12.764 1.00 0.00 O -ATOM 4970 H1 WAT A1657 27.412 8.046 12.040 1.00 0.00 H -ATOM 4971 H2 WAT A1657 25.975 7.738 12.403 1.00 0.00 H -ATOM 4972 O1 WAT A1658 33.816 21.148 37.941 1.00 0.00 O -ATOM 4973 H1 WAT A1658 33.870 20.292 38.366 1.00 0.00 H -ATOM 4974 H2 WAT A1658 34.461 21.685 38.399 1.00 0.00 H -ATOM 4975 O1 WAT A1659 22.427 16.816 5.536 1.00 0.00 O -ATOM 4976 H1 WAT A1659 22.542 15.873 5.654 1.00 0.00 H -ATOM 4977 H2 WAT A1659 23.216 17.099 5.075 1.00 0.00 H -ATOM 4978 O1 WAT A1660 20.635 21.245 27.036 1.00 0.00 O -ATOM 4979 H1 WAT A1660 21.576 21.248 27.215 1.00 0.00 H -ATOM 4980 H2 WAT A1660 20.565 21.500 26.117 1.00 0.00 H -ATOM 4981 O1 WAT A1661 10.955 29.563 20.731 1.00 0.00 O -ATOM 4982 H1 WAT A1661 11.787 30.031 20.660 1.00 0.00 H -ATOM 4983 H2 WAT A1661 10.685 29.690 21.640 1.00 0.00 H -ATOM 4984 O1 WAT A1662 21.915 5.807 6.752 1.00 0.00 O -ATOM 4985 H1 WAT A1662 22.861 5.727 6.880 1.00 0.00 H -ATOM 4986 H2 WAT A1662 21.701 5.127 6.114 1.00 0.00 H -ATOM 4987 O1 WAT A1663 0.981 26.460 16.697 1.00 0.00 O -ATOM 4988 H1 WAT A1663 0.133 26.902 16.654 1.00 0.00 H -ATOM 4989 H2 WAT A1663 1.602 27.153 16.919 1.00 0.00 H -ATOM 4990 O1 WAT A1664 29.466 2.339 30.519 1.00 0.00 O -ATOM 4991 H1 WAT A1664 28.977 1.651 30.068 1.00 0.00 H -ATOM 4992 H2 WAT A1664 29.747 2.930 29.821 1.00 0.00 H -ATOM 4993 O1 WAT A1665 26.960 15.825 37.023 1.00 0.00 O -ATOM 4994 H1 WAT A1665 27.909 15.836 36.898 1.00 0.00 H -ATOM 4995 H2 WAT A1665 26.659 16.653 36.651 1.00 0.00 H -ATOM 4996 O1 WAT A1666 23.818 13.527 5.225 1.00 0.00 O -ATOM 4997 H1 WAT A1666 24.117 14.160 5.879 1.00 0.00 H -ATOM 4998 H2 WAT A1666 23.244 14.030 4.649 1.00 0.00 H -ATOM 4999 O1 WAT A1667 34.121 26.112 0.369 1.00 0.00 O -ATOM 5000 H1 WAT A1667 34.161 26.577 1.205 1.00 0.00 H -ATOM 5001 H2 WAT A1667 33.272 26.353 -0.000 1.00 0.00 H -ATOM 5002 O1 WAT A1668 26.534 30.265 32.113 1.00 0.00 O -ATOM 5003 H1 WAT A1668 27.487 30.185 32.072 1.00 0.00 H -ATOM 5004 H2 WAT A1668 26.257 29.552 32.687 1.00 0.00 H -ATOM 5005 O1 WAT A1669 8.906 6.594 25.765 1.00 0.00 O -ATOM 5006 H1 WAT A1669 8.697 6.255 24.895 1.00 0.00 H -ATOM 5007 H2 WAT A1669 8.918 5.820 26.328 1.00 0.00 H -ATOM 5008 O1 WAT A1670 37.678 28.001 25.635 1.00 0.00 O -ATOM 5009 H1 WAT A1670 37.881 27.252 25.076 1.00 0.00 H -ATOM 5010 H2 WAT A1670 38.390 28.024 26.274 1.00 0.00 H -ATOM 5011 O1 WAT A1671 11.605 14.464 11.888 1.00 0.00 O -ATOM 5012 H1 WAT A1671 11.340 13.572 12.115 1.00 0.00 H -ATOM 5013 H2 WAT A1671 11.171 14.638 11.053 1.00 0.00 H -ATOM 5014 O1 WAT A1672 38.080 20.672 32.847 1.00 0.00 O -ATOM 5015 H1 WAT A1672 37.463 19.947 32.950 1.00 0.00 H -ATOM 5016 H2 WAT A1672 37.594 21.443 33.138 1.00 0.00 H -ATOM 5017 O1 WAT A1673 4.440 25.174 3.966 1.00 0.00 O -ATOM 5018 H1 WAT A1673 3.538 24.859 3.912 1.00 0.00 H -ATOM 5019 H2 WAT A1673 4.397 25.929 4.551 1.00 0.00 H -ATOM 5020 O1 WAT A1674 30.251 18.782 32.528 1.00 0.00 O -ATOM 5021 H1 WAT A1674 29.893 18.630 31.653 1.00 0.00 H -ATOM 5022 H2 WAT A1674 30.406 19.725 32.564 1.00 0.00 H -ATOM 5023 O1 WAT A1675 9.694 8.598 1.817 1.00 0.00 O -ATOM 5024 H1 WAT A1675 9.074 9.326 1.793 1.00 0.00 H -ATOM 5025 H2 WAT A1675 9.200 7.850 1.483 1.00 0.00 H -ATOM 5026 O1 WAT A1676 27.580 24.161 12.961 1.00 0.00 O -ATOM 5027 H1 WAT A1676 28.024 25.009 12.966 1.00 0.00 H -ATOM 5028 H2 WAT A1676 28.282 23.521 13.071 1.00 0.00 H -ATOM 5029 O1 WAT A1677 12.914 27.104 14.305 1.00 0.00 O -ATOM 5030 H1 WAT A1677 13.860 27.161 14.446 1.00 0.00 H -ATOM 5031 H2 WAT A1677 12.694 26.199 14.524 1.00 0.00 H -ATOM 5032 O1 WAT A1678 27.854 29.662 27.588 1.00 0.00 O -ATOM 5033 H1 WAT A1678 27.491 30.548 27.572 1.00 0.00 H -ATOM 5034 H2 WAT A1678 28.723 29.765 27.974 1.00 0.00 H -ATOM 5035 O1 WAT A1679 12.405 34.586 24.321 1.00 0.00 O -ATOM 5036 H1 WAT A1679 11.805 35.034 24.918 1.00 0.00 H -ATOM 5037 H2 WAT A1679 12.829 33.921 24.862 1.00 0.00 H -ATOM 5038 O1 WAT A1680 31.972 26.521 21.557 1.00 0.00 O -ATOM 5039 H1 WAT A1680 31.051 26.778 21.600 1.00 0.00 H -ATOM 5040 H2 WAT A1680 32.418 27.126 22.150 1.00 0.00 H -ATOM 5041 O1 WAT A1681 20.110 21.892 29.617 1.00 0.00 O -ATOM 5042 H1 WAT A1681 19.352 21.377 29.342 1.00 0.00 H -ATOM 5043 H2 WAT A1681 20.866 21.378 29.334 1.00 0.00 H -ATOM 5044 O1 WAT A1682 9.663 30.201 37.980 1.00 0.00 O -ATOM 5045 H1 WAT A1682 8.884 29.671 37.810 1.00 0.00 H -ATOM 5046 H2 WAT A1682 10.276 29.600 38.400 1.00 0.00 H -ATOM 5047 O1 WAT A1683 32.315 14.970 16.518 1.00 0.00 O -ATOM 5048 H1 WAT A1683 33.042 15.428 16.098 1.00 0.00 H -ATOM 5049 H2 WAT A1683 31.682 14.827 15.815 1.00 0.00 H -ATOM 5050 O1 WAT A1684 2.413 21.731 29.413 1.00 0.00 O -ATOM 5051 H1 WAT A1684 2.303 21.438 28.509 1.00 0.00 H -ATOM 5052 H2 WAT A1684 3.358 21.843 29.516 1.00 0.00 H -ATOM 5053 O1 WAT A1685 14.242 31.452 9.669 1.00 0.00 O -ATOM 5054 H1 WAT A1685 15.107 31.648 9.311 1.00 0.00 H -ATOM 5055 H2 WAT A1685 13.916 32.294 9.986 1.00 0.00 H -ATOM 5056 O1 WAT A1686 3.090 12.511 20.773 1.00 0.00 O -ATOM 5057 H1 WAT A1686 2.622 12.036 20.086 1.00 0.00 H -ATOM 5058 H2 WAT A1686 2.893 13.432 20.605 1.00 0.00 H -ATOM 5059 O1 WAT A1687 13.195 33.927 27.223 1.00 0.00 O -ATOM 5060 H1 WAT A1687 12.272 34.167 27.306 1.00 0.00 H -ATOM 5061 H2 WAT A1687 13.670 34.745 27.365 1.00 0.00 H -ATOM 5062 O1 WAT A1688 37.823 36.157 15.338 1.00 0.00 O -ATOM 5063 H1 WAT A1688 38.400 36.892 15.131 1.00 0.00 H -ATOM 5064 H2 WAT A1688 38.400 35.394 15.351 1.00 0.00 H -ATOM 5065 O1 WAT A1689 25.659 33.912 -0.005 1.00 0.00 O -ATOM 5066 H1 WAT A1689 26.013 34.145 0.854 1.00 0.00 H -ATOM 5067 H2 WAT A1689 25.209 33.080 0.138 1.00 0.00 H -ATOM 5068 O1 WAT A1690 26.968 28.244 13.446 1.00 0.00 O -ATOM 5069 H1 WAT A1690 27.873 27.959 13.579 1.00 0.00 H -ATOM 5070 H2 WAT A1690 26.439 27.488 13.699 1.00 0.00 H -ATOM 5071 O1 WAT A1691 12.434 28.051 11.282 1.00 0.00 O -ATOM 5072 H1 WAT A1691 12.919 27.268 11.543 1.00 0.00 H -ATOM 5073 H2 WAT A1691 11.776 28.165 11.967 1.00 0.00 H -ATOM 5074 O1 WAT A1692 18.976 21.391 13.674 1.00 0.00 O -ATOM 5075 H1 WAT A1692 19.113 20.457 13.518 1.00 0.00 H -ATOM 5076 H2 WAT A1692 18.026 21.502 13.658 1.00 0.00 H -ATOM 5077 O1 WAT A1693 37.074 5.215 12.793 1.00 0.00 O -ATOM 5078 H1 WAT A1693 36.275 5.739 12.726 1.00 0.00 H -ATOM 5079 H2 WAT A1693 37.150 4.782 11.944 1.00 0.00 H -ATOM 5080 O1 WAT A1694 21.812 10.721 5.663 1.00 0.00 O -ATOM 5081 H1 WAT A1694 21.623 10.746 6.602 1.00 0.00 H -ATOM 5082 H2 WAT A1694 21.494 9.866 5.377 1.00 0.00 H -ATOM 5083 O1 WAT A1695 37.591 24.988 26.609 1.00 0.00 O -ATOM 5084 H1 WAT A1695 36.652 24.947 26.423 1.00 0.00 H -ATOM 5085 H2 WAT A1695 37.673 25.658 27.286 1.00 0.00 H -ATOM 5086 O1 WAT A1696 33.704 1.644 25.023 1.00 0.00 O -ATOM 5087 H1 WAT A1696 33.161 0.876 25.199 1.00 0.00 H -ATOM 5088 H2 WAT A1696 33.749 2.104 25.861 1.00 0.00 H -ATOM 5089 O1 WAT A1697 17.837 2.835 27.275 1.00 0.00 O -ATOM 5090 H1 WAT A1697 18.560 3.449 27.147 1.00 0.00 H -ATOM 5091 H2 WAT A1697 18.229 2.094 27.736 1.00 0.00 H -ATOM 5092 O1 WAT A1698 15.001 15.012 5.217 1.00 0.00 O -ATOM 5093 H1 WAT A1698 15.931 15.238 5.220 1.00 0.00 H -ATOM 5094 H2 WAT A1698 14.559 15.807 5.515 1.00 0.00 H -ATOM 5095 O1 WAT A1699 24.207 29.872 17.263 1.00 0.00 O -ATOM 5096 H1 WAT A1699 24.970 30.387 17.526 1.00 0.00 H -ATOM 5097 H2 WAT A1699 23.632 30.500 16.828 1.00 0.00 H -ATOM 5098 O1 WAT A1700 18.455 8.541 3.860 1.00 0.00 O -ATOM 5099 H1 WAT A1700 19.087 9.257 3.933 1.00 0.00 H -ATOM 5100 H2 WAT A1700 17.635 8.968 3.614 1.00 0.00 H -ATOM 5101 O1 WAT A1701 1.813 14.304 34.959 1.00 0.00 O -ATOM 5102 H1 WAT A1701 1.883 13.926 35.835 1.00 0.00 H -ATOM 5103 H2 WAT A1701 0.919 14.109 34.682 1.00 0.00 H -ATOM 5104 O1 WAT A1702 33.182 1.939 10.526 1.00 0.00 O -ATOM 5105 H1 WAT A1702 32.876 1.433 9.774 1.00 0.00 H -ATOM 5106 H2 WAT A1702 32.911 1.428 11.287 1.00 0.00 H -ATOM 5107 O1 WAT A1703 23.050 3.667 31.786 1.00 0.00 O -ATOM 5108 H1 WAT A1703 23.907 3.778 31.375 1.00 0.00 H -ATOM 5109 H2 WAT A1703 23.110 2.831 32.247 1.00 0.00 H -ATOM 5110 O1 WAT A1704 15.116 35.546 8.184 1.00 0.00 O -ATOM 5111 H1 WAT A1704 15.726 34.808 8.168 1.00 0.00 H -ATOM 5112 H2 WAT A1704 15.100 35.824 9.099 1.00 0.00 H -ATOM 5113 O1 WAT A1705 12.701 28.931 16.026 1.00 0.00 O -ATOM 5114 H1 WAT A1705 13.261 29.384 15.395 1.00 0.00 H -ATOM 5115 H2 WAT A1705 11.887 28.766 15.551 1.00 0.00 H -ATOM 5116 O1 WAT A1706 37.614 19.448 22.146 1.00 0.00 O -ATOM 5117 H1 WAT A1706 37.928 19.209 23.018 1.00 0.00 H -ATOM 5118 H2 WAT A1706 38.399 19.448 21.599 1.00 0.00 H -ATOM 5119 O1 WAT A1707 31.312 35.256 3.712 1.00 0.00 O -ATOM 5120 H1 WAT A1707 31.293 34.409 4.156 1.00 0.00 H -ATOM 5121 H2 WAT A1707 32.232 35.388 3.485 1.00 0.00 H -ATOM 5122 O1 WAT A1708 34.227 20.336 16.997 1.00 0.00 O -ATOM 5123 H1 WAT A1708 34.496 20.201 16.088 1.00 0.00 H -ATOM 5124 H2 WAT A1708 34.827 21.003 17.329 1.00 0.00 H -ATOM 5125 O1 WAT A1709 31.182 36.903 34.287 1.00 0.00 O -ATOM 5126 H1 WAT A1709 31.884 37.462 33.953 1.00 0.00 H -ATOM 5127 H2 WAT A1709 31.489 36.011 34.126 1.00 0.00 H -ATOM 5128 O1 WAT A1710 13.999 3.677 17.030 1.00 0.00 O -ATOM 5129 H1 WAT A1710 13.567 2.863 17.290 1.00 0.00 H -ATOM 5130 H2 WAT A1710 14.933 3.497 17.135 1.00 0.00 H -ATOM 5131 O1 WAT A1711 15.402 36.103 30.971 1.00 0.00 O -ATOM 5132 H1 WAT A1711 15.996 36.312 31.693 1.00 0.00 H -ATOM 5133 H2 WAT A1711 15.486 36.842 30.369 1.00 0.00 H -ATOM 5134 O1 WAT A1712 22.250 12.760 36.816 1.00 0.00 O -ATOM 5135 H1 WAT A1712 21.346 13.063 36.900 1.00 0.00 H -ATOM 5136 H2 WAT A1712 22.778 13.488 37.141 1.00 0.00 H -ATOM 5137 O1 WAT A1713 16.191 16.068 30.860 1.00 0.00 O -ATOM 5138 H1 WAT A1713 16.402 16.939 30.522 1.00 0.00 H -ATOM 5139 H2 WAT A1713 16.147 16.182 31.809 1.00 0.00 H -ATOM 5140 O1 WAT A1714 9.012 25.303 29.338 1.00 0.00 O -ATOM 5141 H1 WAT A1714 9.458 26.145 29.425 1.00 0.00 H -ATOM 5142 H2 WAT A1714 9.710 24.652 29.406 1.00 0.00 H -ATOM 5143 O1 WAT A1715 35.296 35.275 13.662 1.00 0.00 O -ATOM 5144 H1 WAT A1715 34.499 35.803 13.731 1.00 0.00 H -ATOM 5145 H2 WAT A1715 35.472 34.988 14.557 1.00 0.00 H -ATOM 5146 O1 WAT A1716 24.501 13.329 1.903 1.00 0.00 O -ATOM 5147 H1 WAT A1716 24.296 12.625 2.518 1.00 0.00 H -ATOM 5148 H2 WAT A1716 25.289 13.737 2.259 1.00 0.00 H -ATOM 5149 O1 WAT A1717 10.171 19.367 3.126 1.00 0.00 O -ATOM 5150 H1 WAT A1717 9.698 18.572 3.371 1.00 0.00 H -ATOM 5151 H2 WAT A1717 9.486 20.018 2.975 1.00 0.00 H -ATOM 5152 O1 WAT A1718 8.140 0.164 20.902 1.00 0.00 O -ATOM 5153 H1 WAT A1718 7.824 0.000 21.791 1.00 0.00 H -ATOM 5154 H2 WAT A1718 9.052 0.430 21.017 1.00 0.00 H -ATOM 5155 O1 WAT A1719 31.513 18.459 18.314 1.00 0.00 O -ATOM 5156 H1 WAT A1719 32.220 19.048 18.050 1.00 0.00 H -ATOM 5157 H2 WAT A1719 30.855 19.033 18.706 1.00 0.00 H -ATOM 5158 O1 WAT A1720 25.522 22.596 22.579 1.00 0.00 O -ATOM 5159 H1 WAT A1720 25.406 23.329 21.975 1.00 0.00 H -ATOM 5160 H2 WAT A1720 24.704 22.561 23.074 1.00 0.00 H -ATOM 5161 O1 WAT A1721 26.737 1.506 9.663 1.00 0.00 O -ATOM 5162 H1 WAT A1721 25.916 1.332 9.204 1.00 0.00 H -ATOM 5163 H2 WAT A1721 26.571 2.307 10.158 1.00 0.00 H -ATOM 5164 O1 WAT A1722 7.238 24.285 30.954 1.00 0.00 O -ATOM 5165 H1 WAT A1722 7.608 23.473 30.608 1.00 0.00 H -ATOM 5166 H2 WAT A1722 6.831 24.706 30.197 1.00 0.00 H -ATOM 5167 O1 WAT A1723 6.362 20.085 18.539 1.00 0.00 O -ATOM 5168 H1 WAT A1723 6.990 20.668 18.112 1.00 0.00 H -ATOM 5169 H2 WAT A1723 6.867 19.647 19.224 1.00 0.00 H -ATOM 5170 O1 WAT A1724 14.470 0.522 36.479 1.00 0.00 O -ATOM 5171 H1 WAT A1724 15.096 0.003 35.974 1.00 0.00 H -ATOM 5172 H2 WAT A1724 13.615 0.279 36.125 1.00 0.00 H -ATOM 5173 O1 WAT A1725 30.477 37.493 29.628 1.00 0.00 O -ATOM 5174 H1 WAT A1725 31.317 37.042 29.536 1.00 0.00 H -ATOM 5175 H2 WAT A1725 30.661 38.397 29.374 1.00 0.00 H -ATOM 5176 O1 WAT A1726 19.445 10.804 21.654 1.00 0.00 O -ATOM 5177 H1 WAT A1726 18.588 10.396 21.525 1.00 0.00 H -ATOM 5178 H2 WAT A1726 19.798 10.379 22.435 1.00 0.00 H -ATOM 5179 O1 WAT A1727 14.800 17.058 15.227 1.00 0.00 O -ATOM 5180 H1 WAT A1727 15.708 16.821 15.036 1.00 0.00 H -ATOM 5181 H2 WAT A1727 14.375 17.088 14.370 1.00 0.00 H -ATOM 5182 O1 WAT A1728 11.072 4.574 2.317 1.00 0.00 O -ATOM 5183 H1 WAT A1728 10.830 5.344 1.801 1.00 0.00 H -ATOM 5184 H2 WAT A1728 10.930 4.839 3.225 1.00 0.00 H -ATOM 5185 O1 WAT A1729 19.239 25.277 32.674 1.00 0.00 O -ATOM 5186 H1 WAT A1729 19.110 25.908 33.383 1.00 0.00 H -ATOM 5187 H2 WAT A1729 19.314 24.432 33.116 1.00 0.00 H -ATOM 5188 O1 WAT A1730 31.030 2.112 3.441 1.00 0.00 O -ATOM 5189 H1 WAT A1730 30.951 1.226 3.795 1.00 0.00 H -ATOM 5190 H2 WAT A1730 31.582 2.013 2.666 1.00 0.00 H -ATOM 5191 O1 WAT A1731 19.937 1.935 14.882 1.00 0.00 O -ATOM 5192 H1 WAT A1731 19.502 2.244 15.677 1.00 0.00 H -ATOM 5193 H2 WAT A1731 20.816 2.311 14.927 1.00 0.00 H -ATOM 5194 O1 WAT A1732 1.208 24.005 10.257 1.00 0.00 O -ATOM 5195 H1 WAT A1732 0.846 24.460 11.017 1.00 0.00 H -ATOM 5196 H2 WAT A1732 0.459 23.553 9.868 1.00 0.00 H -ATOM 5197 O1 WAT A1733 6.189 28.681 27.250 1.00 0.00 O -ATOM 5198 H1 WAT A1733 6.000 29.619 27.273 1.00 0.00 H -ATOM 5199 H2 WAT A1733 5.361 28.275 26.994 1.00 0.00 H -ATOM 5200 O1 WAT A1734 11.558 25.727 29.938 1.00 0.00 O -ATOM 5201 H1 WAT A1734 11.955 25.237 30.658 1.00 0.00 H -ATOM 5202 H2 WAT A1734 12.293 25.959 29.371 1.00 0.00 H -ATOM 5203 O1 WAT A1735 18.052 26.477 30.102 1.00 0.00 O -ATOM 5204 H1 WAT A1735 18.329 26.437 31.018 1.00 0.00 H -ATOM 5205 H2 WAT A1735 18.092 25.570 29.799 1.00 0.00 H -ATOM 5206 O1 WAT A1736 18.867 13.015 25.213 1.00 0.00 O -ATOM 5207 H1 WAT A1736 19.388 12.315 24.819 1.00 0.00 H -ATOM 5208 H2 WAT A1736 18.873 12.822 26.150 1.00 0.00 H -ATOM 5209 O1 WAT A1737 13.205 12.779 37.380 1.00 0.00 O -ATOM 5210 H1 WAT A1737 13.643 12.001 37.034 1.00 0.00 H -ATOM 5211 H2 WAT A1737 13.900 13.272 37.814 1.00 0.00 H -ATOM 5212 O1 WAT A1738 1.470 2.298 20.041 1.00 0.00 O -ATOM 5213 H1 WAT A1738 2.398 2.510 19.938 1.00 0.00 H -ATOM 5214 H2 WAT A1738 1.461 1.372 20.283 1.00 0.00 H -ATOM 5215 O1 WAT A1739 11.987 5.843 13.328 1.00 0.00 O -ATOM 5216 H1 WAT A1739 11.637 6.003 12.452 1.00 0.00 H -ATOM 5217 H2 WAT A1739 11.802 6.647 13.812 1.00 0.00 H -ATOM 5218 O1 WAT A1740 21.606 12.774 2.202 1.00 0.00 O -ATOM 5219 H1 WAT A1740 20.899 12.505 2.789 1.00 0.00 H -ATOM 5220 H2 WAT A1740 22.206 13.269 2.760 1.00 0.00 H -ATOM 5221 O1 WAT A1741 7.710 1.472 0.400 1.00 0.00 O -ATOM 5222 H1 WAT A1741 6.818 1.128 0.354 1.00 0.00 H -ATOM 5223 H2 WAT A1741 7.653 2.343 0.009 1.00 0.00 H -ATOM 5224 O1 WAT A1742 19.558 25.584 15.972 1.00 0.00 O -ATOM 5225 H1 WAT A1742 19.914 24.854 16.479 1.00 0.00 H -ATOM 5226 H2 WAT A1742 20.304 25.922 15.479 1.00 0.00 H -ATOM 5227 O1 WAT A1743 9.356 13.149 17.506 1.00 0.00 O -ATOM 5228 H1 WAT A1743 8.550 13.665 17.545 1.00 0.00 H -ATOM 5229 H2 WAT A1743 9.071 12.248 17.660 1.00 0.00 H -ATOM 5230 O1 WAT A1744 38.005 12.446 23.611 1.00 0.00 O -ATOM 5231 H1 WAT A1744 38.376 11.567 23.538 1.00 0.00 H -ATOM 5232 H2 WAT A1744 38.398 12.933 22.887 1.00 0.00 H -ATOM 5233 O1 WAT A1745 6.842 17.974 20.864 1.00 0.00 O -ATOM 5234 H1 WAT A1745 6.142 17.329 20.964 1.00 0.00 H -ATOM 5235 H2 WAT A1745 6.475 18.784 21.217 1.00 0.00 H -ATOM 5236 O1 WAT A1746 4.510 22.666 12.411 1.00 0.00 O -ATOM 5237 H1 WAT A1746 5.367 22.327 12.672 1.00 0.00 H -ATOM 5238 H2 WAT A1746 3.914 21.927 12.525 1.00 0.00 H -ATOM 5239 O1 WAT A1747 7.317 2.215 5.863 1.00 0.00 O -ATOM 5240 H1 WAT A1747 8.025 2.729 5.474 1.00 0.00 H -ATOM 5241 H2 WAT A1747 7.747 1.426 6.193 1.00 0.00 H -ATOM 5242 O1 WAT A1748 32.177 16.882 26.788 1.00 0.00 O -ATOM 5243 H1 WAT A1748 33.108 17.102 26.744 1.00 0.00 H -ATOM 5244 H2 WAT A1748 32.145 16.076 27.302 1.00 0.00 H -ATOM 5245 O1 WAT A1749 15.624 20.472 18.302 1.00 0.00 O -ATOM 5246 H1 WAT A1749 16.414 20.988 18.143 1.00 0.00 H -ATOM 5247 H2 WAT A1749 14.917 20.992 17.922 1.00 0.00 H -ATOM 5248 O1 WAT A1750 3.957 16.495 11.261 1.00 0.00 O -ATOM 5249 H1 WAT A1750 3.278 15.861 11.030 1.00 0.00 H -ATOM 5250 H2 WAT A1750 4.296 16.802 10.420 1.00 0.00 H -ATOM 5251 O1 WAT A1751 26.583 37.711 36.281 1.00 0.00 O -ATOM 5252 H1 WAT A1751 25.945 38.400 36.469 1.00 0.00 H -ATOM 5253 H2 WAT A1751 26.053 36.949 36.050 1.00 0.00 H -ATOM 5254 O1 WAT A1752 23.735 3.521 9.110 1.00 0.00 O -ATOM 5255 H1 WAT A1752 23.726 2.605 8.831 1.00 0.00 H -ATOM 5256 H2 WAT A1752 24.663 3.746 9.166 1.00 0.00 H -ATOM 5257 O1 WAT A1753 29.001 33.743 38.107 1.00 0.00 O -ATOM 5258 H1 WAT A1753 29.954 33.833 38.106 1.00 0.00 H -ATOM 5259 H2 WAT A1753 28.705 34.313 37.397 1.00 0.00 H -ATOM 5260 O1 WAT A1754 18.953 24.486 28.079 1.00 0.00 O -ATOM 5261 H1 WAT A1754 19.879 24.290 28.222 1.00 0.00 H -ATOM 5262 H2 WAT A1754 18.946 25.377 27.732 1.00 0.00 H -ATOM 5263 O1 WAT A1755 5.023 32.642 15.455 1.00 0.00 O -ATOM 5264 H1 WAT A1755 4.365 32.086 15.872 1.00 0.00 H -ATOM 5265 H2 WAT A1755 4.521 33.222 14.884 1.00 0.00 H -ATOM 5266 O1 WAT A1756 13.238 35.159 29.902 1.00 0.00 O -ATOM 5267 H1 WAT A1756 14.034 34.626 29.891 1.00 0.00 H -ATOM 5268 H2 WAT A1756 13.534 36.038 29.668 1.00 0.00 H -ATOM 5269 O1 WAT A1757 5.541 25.017 13.321 1.00 0.00 O -ATOM 5270 H1 WAT A1757 4.640 24.715 13.204 1.00 0.00 H -ATOM 5271 H2 WAT A1757 5.458 25.943 13.545 1.00 0.00 H -ATOM 5272 O1 WAT A1758 30.625 19.546 36.110 1.00 0.00 O -ATOM 5273 H1 WAT A1758 30.886 19.287 35.226 1.00 0.00 H -ATOM 5274 H2 WAT A1758 30.265 20.426 36.006 1.00 0.00 H -ATOM 5275 O1 WAT A1759 0.798 7.136 8.943 1.00 0.00 O -ATOM 5276 H1 WAT A1759 0.000 7.665 8.920 1.00 0.00 H -ATOM 5277 H2 WAT A1759 0.510 6.256 8.702 1.00 0.00 H -ATOM 5278 O1 WAT A1760 0.262 15.298 10.829 1.00 0.00 O -ATOM 5279 H1 WAT A1760 0.543 14.386 10.751 1.00 0.00 H -ATOM 5280 H2 WAT A1760 1.008 15.807 10.512 1.00 0.00 H -ATOM 5281 O1 WAT A1761 16.082 3.512 29.393 1.00 0.00 O -ATOM 5282 H1 WAT A1761 16.946 3.111 29.483 1.00 0.00 H -ATOM 5283 H2 WAT A1761 15.467 2.793 29.532 1.00 0.00 H -ATOM 5284 O1 WAT A1762 31.310 0.009 1.063 1.00 0.00 O -ATOM 5285 H1 WAT A1762 30.983 0.015 1.963 1.00 0.00 H -ATOM 5286 H2 WAT A1762 32.087 0.566 1.086 1.00 0.00 H -ATOM 5287 O1 WAT A1763 36.503 13.961 21.188 1.00 0.00 O -ATOM 5288 H1 WAT A1763 36.524 13.775 22.127 1.00 0.00 H -ATOM 5289 H2 WAT A1763 36.767 13.140 20.774 1.00 0.00 H -ATOM 5290 O1 WAT A1764 23.083 30.803 21.469 1.00 0.00 O -ATOM 5291 H1 WAT A1764 22.791 30.441 22.306 1.00 0.00 H -ATOM 5292 H2 WAT A1764 22.276 31.059 21.023 1.00 0.00 H -ATOM 5293 O1 WAT A1765 25.120 20.387 33.304 1.00 0.00 O -ATOM 5294 H1 WAT A1765 25.710 21.078 33.004 1.00 0.00 H -ATOM 5295 H2 WAT A1765 24.243 20.728 33.132 1.00 0.00 H -ATOM 5296 O1 WAT A1766 36.981 6.894 31.030 1.00 0.00 O -ATOM 5297 H1 WAT A1766 37.526 6.246 30.584 1.00 0.00 H -ATOM 5298 H2 WAT A1766 36.117 6.488 31.080 1.00 0.00 H -ATOM 5299 O1 WAT A1767 10.421 33.851 20.868 1.00 0.00 O -ATOM 5300 H1 WAT A1767 10.605 33.626 21.780 1.00 0.00 H -ATOM 5301 H2 WAT A1767 9.541 34.226 20.885 1.00 0.00 H -ATOM 5302 O1 WAT A1768 27.924 6.503 0.252 1.00 0.00 O -ATOM 5303 H1 WAT A1768 27.075 6.129 0.015 1.00 0.00 H -ATOM 5304 H2 WAT A1768 27.708 7.302 0.732 1.00 0.00 H -ATOM 5305 O1 WAT A1769 11.094 6.079 37.475 1.00 0.00 O -ATOM 5306 H1 WAT A1769 11.757 5.916 36.804 1.00 0.00 H -ATOM 5307 H2 WAT A1769 10.266 6.095 36.995 1.00 0.00 H -ATOM 5308 O1 WAT A1770 28.920 12.698 21.234 1.00 0.00 O -ATOM 5309 H1 WAT A1770 29.856 12.897 21.265 1.00 0.00 H -ATOM 5310 H2 WAT A1770 28.490 13.543 21.358 1.00 0.00 H -ATOM 5311 O1 WAT A1771 25.097 36.349 38.399 1.00 0.00 O -ATOM 5312 H1 WAT A1771 24.165 36.129 38.384 1.00 0.00 H -ATOM 5313 H2 WAT A1771 25.535 35.560 38.080 1.00 0.00 H -ATOM 5314 O1 WAT A1772 26.146 4.048 37.198 1.00 0.00 O -ATOM 5315 H1 WAT A1772 26.939 3.541 37.023 1.00 0.00 H -ATOM 5316 H2 WAT A1772 25.442 3.538 36.798 1.00 0.00 H -ATOM 5317 O1 WAT A1773 27.562 3.470 19.053 1.00 0.00 O -ATOM 5318 H1 WAT A1773 27.775 2.555 18.869 1.00 0.00 H -ATOM 5319 H2 WAT A1773 28.355 3.826 19.451 1.00 0.00 H -ATOM 5320 O1 WAT A1774 27.532 13.333 31.602 1.00 0.00 O -ATOM 5321 H1 WAT A1774 27.874 13.659 30.770 1.00 0.00 H -ATOM 5322 H2 WAT A1774 27.640 12.384 31.551 1.00 0.00 H -ATOM 5323 O1 WAT A1775 34.689 12.345 4.633 1.00 0.00 O -ATOM 5324 H1 WAT A1775 34.921 11.567 5.141 1.00 0.00 H -ATOM 5325 H2 WAT A1775 35.392 12.431 3.991 1.00 0.00 H -ATOM 5326 O1 WAT A1776 35.739 31.866 25.928 1.00 0.00 O -ATOM 5327 H1 WAT A1776 35.225 32.399 25.322 1.00 0.00 H -ATOM 5328 H2 WAT A1776 35.706 32.344 26.756 1.00 0.00 H -ATOM 5329 O1 WAT A1777 24.588 22.329 12.584 1.00 0.00 O -ATOM 5330 H1 WAT A1777 23.730 21.987 12.838 1.00 0.00 H -ATOM 5331 H2 WAT A1777 24.591 23.230 12.904 1.00 0.00 H -ATOM 5332 O1 WAT A1778 8.044 20.654 15.800 1.00 0.00 O -ATOM 5333 H1 WAT A1778 8.663 20.334 16.456 1.00 0.00 H -ATOM 5334 H2 WAT A1778 7.710 21.473 16.164 1.00 0.00 H -ATOM 5335 O1 WAT A1779 2.548 12.523 8.413 1.00 0.00 O -ATOM 5336 H1 WAT A1779 1.615 12.615 8.222 1.00 0.00 H -ATOM 5337 H2 WAT A1779 2.760 13.286 8.950 1.00 0.00 H -ATOM 5338 O1 WAT A1780 33.875 29.083 21.794 1.00 0.00 O -ATOM 5339 H1 WAT A1780 34.344 28.248 21.828 1.00 0.00 H -ATOM 5340 H2 WAT A1780 33.348 29.029 20.997 1.00 0.00 H -ATOM 5341 O1 WAT A1781 20.682 16.263 29.483 1.00 0.00 O -ATOM 5342 H1 WAT A1781 19.826 15.851 29.601 1.00 0.00 H -ATOM 5343 H2 WAT A1781 21.280 15.532 29.329 1.00 0.00 H -ATOM 5344 O1 WAT A1782 12.168 26.075 38.239 1.00 0.00 O -ATOM 5345 H1 WAT A1782 11.869 26.970 38.400 1.00 0.00 H -ATOM 5346 H2 WAT A1782 11.386 25.610 37.943 1.00 0.00 H -ATOM 5347 O1 WAT A1783 5.343 33.528 12.667 1.00 0.00 O -ATOM 5348 H1 WAT A1783 4.568 32.967 12.698 1.00 0.00 H -ATOM 5349 H2 WAT A1783 5.062 34.348 13.073 1.00 0.00 H -ATOM 5350 O1 WAT A1784 35.178 36.182 23.694 1.00 0.00 O -ATOM 5351 H1 WAT A1784 35.837 35.831 24.292 1.00 0.00 H -ATOM 5352 H2 WAT A1784 34.416 36.349 24.247 1.00 0.00 H -ATOM 5353 O1 WAT A1785 21.588 33.321 19.077 1.00 0.00 O -ATOM 5354 H1 WAT A1785 22.143 32.653 19.481 1.00 0.00 H -ATOM 5355 H2 WAT A1785 21.123 33.722 19.810 1.00 0.00 H -ATOM 5356 O1 WAT A1786 29.454 5.911 6.664 1.00 0.00 O -ATOM 5357 H1 WAT A1786 29.462 5.841 7.619 1.00 0.00 H -ATOM 5358 H2 WAT A1786 30.240 6.415 6.454 1.00 0.00 H -ATOM 5359 O1 WAT A1787 27.876 18.384 28.252 1.00 0.00 O -ATOM 5360 H1 WAT A1787 27.003 17.990 28.240 1.00 0.00 H -ATOM 5361 H2 WAT A1787 28.440 17.732 27.839 1.00 0.00 H -ATOM 5362 O1 WAT A1788 4.806 28.052 10.073 1.00 0.00 O -ATOM 5363 H1 WAT A1788 4.311 28.661 9.525 1.00 0.00 H -ATOM 5364 H2 WAT A1788 5.628 28.507 10.256 1.00 0.00 H -ATOM 5365 O1 WAT A1789 24.804 1.073 22.259 1.00 0.00 O -ATOM 5366 H1 WAT A1789 25.437 1.728 21.962 1.00 0.00 H -ATOM 5367 H2 WAT A1789 25.270 0.240 22.189 1.00 0.00 H -ATOM 5368 O1 WAT A1790 11.774 5.524 19.602 1.00 0.00 O -ATOM 5369 H1 WAT A1790 12.587 5.876 19.238 1.00 0.00 H -ATOM 5370 H2 WAT A1790 11.167 6.263 19.594 1.00 0.00 H -ATOM 5371 O1 WAT A1791 6.413 36.451 2.305 1.00 0.00 O -ATOM 5372 H1 WAT A1791 5.651 36.713 2.822 1.00 0.00 H -ATOM 5373 H2 WAT A1791 6.103 36.454 1.400 1.00 0.00 H -ATOM 5374 O1 WAT A1792 12.458 25.520 1.355 1.00 0.00 O -ATOM 5375 H1 WAT A1792 12.159 26.413 1.183 1.00 0.00 H -ATOM 5376 H2 WAT A1792 13.219 25.627 1.925 1.00 0.00 H -ATOM 5377 O1 WAT A1793 8.363 12.753 30.619 1.00 0.00 O -ATOM 5378 H1 WAT A1793 8.751 13.599 30.843 1.00 0.00 H -ATOM 5379 H2 WAT A1793 8.006 12.427 31.445 1.00 0.00 H -ATOM 5380 O1 WAT A1794 33.411 0.100 32.952 1.00 0.00 O -ATOM 5381 H1 WAT A1794 34.363 0.000 32.954 1.00 0.00 H -ATOM 5382 H2 WAT A1794 33.265 1.012 32.705 1.00 0.00 H -ATOM 5383 O1 WAT A1795 4.875 16.707 36.846 1.00 0.00 O -ATOM 5384 H1 WAT A1795 5.772 16.897 37.122 1.00 0.00 H -ATOM 5385 H2 WAT A1795 4.886 15.779 36.613 1.00 0.00 H -ATOM 5386 O1 WAT A1796 13.484 14.229 35.333 1.00 0.00 O -ATOM 5387 H1 WAT A1796 14.192 13.651 35.619 1.00 0.00 H -ATOM 5388 H2 WAT A1796 12.690 13.706 35.439 1.00 0.00 H -ATOM 5389 O1 WAT A1797 8.137 6.979 17.074 1.00 0.00 O -ATOM 5390 H1 WAT A1797 8.721 6.292 16.755 1.00 0.00 H -ATOM 5391 H2 WAT A1797 8.648 7.784 16.996 1.00 0.00 H -ATOM 5392 O1 WAT A1798 4.137 28.568 33.474 1.00 0.00 O -ATOM 5393 H1 WAT A1798 4.446 29.464 33.605 1.00 0.00 H -ATOM 5394 H2 WAT A1798 4.892 28.020 33.690 1.00 0.00 H -ATOM 5395 O1 WAT A1799 30.048 32.015 29.480 1.00 0.00 O -ATOM 5396 H1 WAT A1799 29.716 32.220 30.354 1.00 0.00 H -ATOM 5397 H2 WAT A1799 29.310 31.602 29.033 1.00 0.00 H -ATOM 5398 O1 WAT A1800 3.625 38.196 9.839 1.00 0.00 O -ATOM 5399 H1 WAT A1800 3.558 37.309 10.192 1.00 0.00 H -ATOM 5400 H2 WAT A1800 4.559 38.400 9.878 1.00 0.00 H -ATOM 5401 O1 WAT A1801 31.358 37.863 20.561 1.00 0.00 O -ATOM 5402 H1 WAT A1801 31.549 38.057 21.479 1.00 0.00 H -ATOM 5403 H2 WAT A1801 31.977 38.400 20.068 1.00 0.00 H -ATOM 5404 O1 WAT A1802 2.404 7.580 22.201 1.00 0.00 O -ATOM 5405 H1 WAT A1802 3.356 7.676 22.172 1.00 0.00 H -ATOM 5406 H2 WAT A1802 2.259 6.763 22.677 1.00 0.00 H -ATOM 5407 O1 WAT A1803 27.664 2.226 13.487 1.00 0.00 O -ATOM 5408 H1 WAT A1803 27.459 2.963 12.911 1.00 0.00 H -ATOM 5409 H2 WAT A1803 26.933 1.620 13.370 1.00 0.00 H -ATOM 5410 O1 WAT A1804 4.814 12.543 12.185 1.00 0.00 O -ATOM 5411 H1 WAT A1804 4.052 11.966 12.245 1.00 0.00 H -ATOM 5412 H2 WAT A1804 4.507 13.382 12.526 1.00 0.00 H -ATOM 5413 O1 WAT A1805 29.096 0.020 26.324 1.00 0.00 O -ATOM 5414 H1 WAT A1805 28.872 0.879 26.681 1.00 0.00 H -ATOM 5415 H2 WAT A1805 30.052 0.001 26.326 1.00 0.00 H -ATOM 5416 O1 WAT A1806 27.224 37.375 10.453 1.00 0.00 O -ATOM 5417 H1 WAT A1806 26.555 38.051 10.343 1.00 0.00 H -ATOM 5418 H2 WAT A1806 27.583 37.531 11.325 1.00 0.00 H -ATOM 5419 O1 WAT A1807 32.095 14.910 32.358 1.00 0.00 O -ATOM 5420 H1 WAT A1807 31.987 15.852 32.228 1.00 0.00 H -ATOM 5421 H2 WAT A1807 33.013 14.742 32.147 1.00 0.00 H -ATOM 5422 O1 WAT A1808 33.816 23.938 34.634 1.00 0.00 O -ATOM 5423 H1 WAT A1808 34.656 24.389 34.540 1.00 0.00 H -ATOM 5424 H2 WAT A1808 33.531 23.772 33.736 1.00 0.00 H -ATOM 5425 O1 WAT A1809 34.335 33.492 31.209 1.00 0.00 O -ATOM 5426 H1 WAT A1809 34.481 32.774 30.593 1.00 0.00 H -ATOM 5427 H2 WAT A1809 34.799 34.236 30.825 1.00 0.00 H -ATOM 5428 O1 WAT A1810 20.457 31.535 22.630 1.00 0.00 O -ATOM 5429 H1 WAT A1810 20.661 32.212 23.276 1.00 0.00 H -ATOM 5430 H2 WAT A1810 20.379 32.007 21.802 1.00 0.00 H -ATOM 5431 O1 WAT A1811 3.219 3.394 8.919 1.00 0.00 O -ATOM 5432 H1 WAT A1811 2.418 3.148 9.384 1.00 0.00 H -ATOM 5433 H2 WAT A1811 3.829 3.651 9.610 1.00 0.00 H -ATOM 5434 O1 WAT A1812 21.257 4.461 29.543 1.00 0.00 O -ATOM 5435 H1 WAT A1812 20.924 5.248 29.974 1.00 0.00 H -ATOM 5436 H2 WAT A1812 22.135 4.342 29.902 1.00 0.00 H -ATOM 5437 O1 WAT A1813 4.269 9.422 6.667 1.00 0.00 O -ATOM 5438 H1 WAT A1813 3.354 9.691 6.574 1.00 0.00 H -ATOM 5439 H2 WAT A1813 4.461 9.544 7.597 1.00 0.00 H -ATOM 5440 O1 WAT A1814 29.847 5.449 2.145 1.00 0.00 O -ATOM 5441 H1 WAT A1814 29.451 6.280 2.406 1.00 0.00 H -ATOM 5442 H2 WAT A1814 29.903 4.944 2.955 1.00 0.00 H -ATOM 5443 O1 WAT A1815 13.440 31.002 17.425 1.00 0.00 O -ATOM 5444 H1 WAT A1815 14.236 30.729 16.968 1.00 0.00 H -ATOM 5445 H2 WAT A1815 13.209 30.254 17.974 1.00 0.00 H -ATOM 5446 O1 WAT A1816 1.242 20.421 24.448 1.00 0.00 O -ATOM 5447 H1 WAT A1816 1.465 21.352 24.458 1.00 0.00 H -ATOM 5448 H2 WAT A1816 2.049 19.978 24.709 1.00 0.00 H -ATOM 5449 O1 WAT A1817 6.612 37.649 19.778 1.00 0.00 O -ATOM 5450 H1 WAT A1817 6.868 38.399 20.315 1.00 0.00 H -ATOM 5451 H2 WAT A1817 6.868 36.886 20.294 1.00 0.00 H -ATOM 5452 O1 WAT A1818 20.733 9.165 28.101 1.00 0.00 O -ATOM 5453 H1 WAT A1818 19.988 9.455 28.628 1.00 0.00 H -ATOM 5454 H2 WAT A1818 21.377 9.867 28.189 1.00 0.00 H -ATOM 5455 O1 WAT A1819 7.499 25.488 7.076 1.00 0.00 O -ATOM 5456 H1 WAT A1819 6.655 25.073 6.895 1.00 0.00 H -ATOM 5457 H2 WAT A1819 7.327 26.426 6.995 1.00 0.00 H -ATOM 5458 O1 WAT A1820 21.330 30.672 31.599 1.00 0.00 O -ATOM 5459 H1 WAT A1820 20.976 29.782 31.631 1.00 0.00 H -ATOM 5460 H2 WAT A1820 20.595 31.232 31.847 1.00 0.00 H -ATOM 5461 O1 WAT A1821 18.914 28.758 12.250 1.00 0.00 O -ATOM 5462 H1 WAT A1821 18.039 28.752 12.638 1.00 0.00 H -ATOM 5463 H2 WAT A1821 19.127 29.685 12.152 1.00 0.00 H -ATOM 5464 O1 WAT A1822 28.525 6.000 32.728 1.00 0.00 O -ATOM 5465 H1 WAT A1822 29.413 6.027 33.085 1.00 0.00 H -ATOM 5466 H2 WAT A1822 28.098 5.284 33.198 1.00 0.00 H -ATOM 5467 O1 WAT A1823 28.192 21.793 34.129 1.00 0.00 O -ATOM 5468 H1 WAT A1823 28.859 22.472 34.230 1.00 0.00 H -ATOM 5469 H2 WAT A1823 27.543 22.178 33.540 1.00 0.00 H -ATOM 5470 O1 WAT A1824 29.788 35.565 28.852 1.00 0.00 O -ATOM 5471 H1 WAT A1824 28.850 35.615 29.038 1.00 0.00 H -ATOM 5472 H2 WAT A1824 29.857 34.936 28.135 1.00 0.00 H -ATOM 5473 O1 WAT A1825 24.465 19.243 25.845 1.00 0.00 O -ATOM 5474 H1 WAT A1825 24.039 18.439 25.548 1.00 0.00 H -ATOM 5475 H2 WAT A1825 23.972 19.502 26.624 1.00 0.00 H -ATOM 5476 O1 WAT A1826 34.354 29.124 10.370 1.00 0.00 O -ATOM 5477 H1 WAT A1826 34.907 28.636 9.759 1.00 0.00 H -ATOM 5478 H2 WAT A1826 33.814 28.457 10.792 1.00 0.00 H -ATOM 5479 O1 WAT A1827 8.194 37.819 34.381 1.00 0.00 O -ATOM 5480 H1 WAT A1827 8.853 38.400 34.760 1.00 0.00 H -ATOM 5481 H2 WAT A1827 7.472 38.398 34.141 1.00 0.00 H -ATOM 5482 O1 WAT A1828 9.570 4.810 22.778 1.00 0.00 O -ATOM 5483 H1 WAT A1828 9.098 4.079 23.177 1.00 0.00 H -ATOM 5484 H2 WAT A1828 8.961 5.545 22.828 1.00 0.00 H -ATOM 5485 O1 WAT A1829 34.542 10.765 12.648 1.00 0.00 O -ATOM 5486 H1 WAT A1829 34.363 9.922 12.232 1.00 0.00 H -ATOM 5487 H2 WAT A1829 33.708 11.020 13.042 1.00 0.00 H -ATOM 5488 O1 WAT A1830 12.057 38.060 34.401 1.00 0.00 O -ATOM 5489 H1 WAT A1830 12.941 38.401 34.536 1.00 0.00 H -ATOM 5490 H2 WAT A1830 11.865 37.569 35.199 1.00 0.00 H -ATOM 5491 O1 WAT A1831 0.229 6.698 20.323 1.00 0.00 O -ATOM 5492 H1 WAT A1831 1.145 6.873 20.540 1.00 0.00 H -ATOM 5493 H2 WAT A1831 0.062 7.227 19.544 1.00 0.00 H -ATOM 5494 O1 WAT A1832 12.085 35.705 6.281 1.00 0.00 O -ATOM 5495 H1 WAT A1832 11.873 36.623 6.453 1.00 0.00 H -ATOM 5496 H2 WAT A1832 12.951 35.582 6.667 1.00 0.00 H -ATOM 5497 O1 WAT A1833 14.418 20.007 37.562 1.00 0.00 O -ATOM 5498 H1 WAT A1833 14.189 20.706 36.949 1.00 0.00 H -ATOM 5499 H2 WAT A1833 14.022 19.220 37.189 1.00 0.00 H -ATOM 5500 O1 WAT A1834 21.387 15.888 35.309 1.00 0.00 O -ATOM 5501 H1 WAT A1834 21.575 15.851 34.371 1.00 0.00 H -ATOM 5502 H2 WAT A1834 21.609 15.015 35.633 1.00 0.00 H -ATOM 5503 O1 WAT A1835 35.877 17.029 28.989 1.00 0.00 O -ATOM 5504 H1 WAT A1835 35.430 16.653 29.748 1.00 0.00 H -ATOM 5505 H2 WAT A1835 35.890 16.323 28.344 1.00 0.00 H -ATOM 5506 O1 WAT A1836 38.098 17.436 9.429 1.00 0.00 O -ATOM 5507 H1 WAT A1836 37.313 17.201 9.925 1.00 0.00 H -ATOM 5508 H2 WAT A1836 37.871 17.254 8.518 1.00 0.00 H -ATOM 5509 O1 WAT A1837 17.309 30.714 20.704 1.00 0.00 O -ATOM 5510 H1 WAT A1837 16.973 31.583 20.486 1.00 0.00 H -ATOM 5511 H2 WAT A1837 16.527 30.175 20.815 1.00 0.00 H -ATOM 5512 O1 WAT A1838 35.219 2.602 6.466 1.00 0.00 O -ATOM 5513 H1 WAT A1838 35.971 2.202 6.030 1.00 0.00 H -ATOM 5514 H2 WAT A1838 34.470 2.077 6.186 1.00 0.00 H -ATOM 5515 O1 WAT A1839 0.847 29.775 12.453 1.00 0.00 O -ATOM 5516 H1 WAT A1839 0.623 28.917 12.091 1.00 0.00 H -ATOM 5517 H2 WAT A1839 0.032 30.273 12.413 1.00 0.00 H -ATOM 5518 O1 WAT A1840 0.004 2.623 7.643 1.00 0.00 O -ATOM 5519 H1 WAT A1840 0.920 2.901 7.629 1.00 0.00 H -ATOM 5520 H2 WAT A1840 0.001 1.834 8.184 1.00 0.00 H -ATOM 5521 O1 WAT A1841 18.089 16.776 20.539 1.00 0.00 O -ATOM 5522 H1 WAT A1841 17.361 16.745 19.918 1.00 0.00 H -ATOM 5523 H2 WAT A1841 17.834 17.444 21.174 1.00 0.00 H -ATOM 5524 O1 WAT A1842 1.570 24.144 23.710 1.00 0.00 O -ATOM 5525 H1 WAT A1842 1.851 24.193 24.624 1.00 0.00 H -ATOM 5526 H2 WAT A1842 2.378 24.007 23.217 1.00 0.00 H -ATOM 5527 O1 WAT A1843 37.840 7.024 16.967 1.00 0.00 O -ATOM 5528 H1 WAT A1843 38.398 7.801 16.978 1.00 0.00 H -ATOM 5529 H2 WAT A1843 38.399 6.321 17.297 1.00 0.00 H -ATOM 5530 O1 WAT A1844 10.009 29.750 31.489 1.00 0.00 O -ATOM 5531 H1 WAT A1844 10.809 29.476 31.039 1.00 0.00 H -ATOM 5532 H2 WAT A1844 10.031 29.283 32.323 1.00 0.00 H -ATOM 5533 O1 WAT A1845 36.285 22.490 25.777 1.00 0.00 O -ATOM 5534 H1 WAT A1845 35.431 22.596 25.358 1.00 0.00 H -ATOM 5535 H2 WAT A1845 36.722 21.812 25.263 1.00 0.00 H -ATOM 5536 O1 WAT A1846 10.187 26.814 8.765 1.00 0.00 O -ATOM 5537 H1 WAT A1846 10.852 26.243 8.381 1.00 0.00 H -ATOM 5538 H2 WAT A1846 9.464 26.227 8.984 1.00 0.00 H -ATOM 5539 O1 WAT A1847 3.591 33.698 4.744 1.00 0.00 O -ATOM 5540 H1 WAT A1847 2.808 33.450 4.250 1.00 0.00 H -ATOM 5541 H2 WAT A1847 3.460 34.623 4.952 1.00 0.00 H -ATOM 5542 O1 WAT A1848 11.621 37.849 4.640 1.00 0.00 O -ATOM 5543 H1 WAT A1848 10.710 37.677 4.882 1.00 0.00 H -ATOM 5544 H2 WAT A1848 11.603 37.937 3.688 1.00 0.00 H -ATOM 5545 O1 WAT A1849 5.899 35.750 33.950 1.00 0.00 O -ATOM 5546 H1 WAT A1849 5.230 35.892 33.281 1.00 0.00 H -ATOM 5547 H2 WAT A1849 5.467 35.974 34.774 1.00 0.00 H -ATOM 5548 O1 WAT A1850 35.462 19.059 31.816 1.00 0.00 O -ATOM 5549 H1 WAT A1850 35.259 19.715 31.149 1.00 0.00 H -ATOM 5550 H2 WAT A1850 34.876 18.329 31.622 1.00 0.00 H -ATOM 5551 O1 WAT A1851 7.291 34.191 28.186 1.00 0.00 O -ATOM 5552 H1 WAT A1851 7.772 34.236 27.359 1.00 0.00 H -ATOM 5553 H2 WAT A1851 7.788 33.573 28.720 1.00 0.00 H -ATOM 5554 O1 WAT A1852 0.870 3.994 4.616 1.00 0.00 O -ATOM 5555 H1 WAT A1852 0.000 3.783 4.277 1.00 0.00 H -ATOM 5556 H2 WAT A1852 0.759 4.016 5.566 1.00 0.00 H -ATOM 5557 O1 WAT A1853 20.229 27.052 10.539 1.00 0.00 O -ATOM 5558 H1 WAT A1853 19.365 27.464 10.524 1.00 0.00 H -ATOM 5559 H2 WAT A1853 20.399 26.819 9.627 1.00 0.00 H -ATOM 5560 O1 WAT A1854 0.858 16.361 37.223 1.00 0.00 O -ATOM 5561 H1 WAT A1854 0.001 16.786 37.243 1.00 0.00 H -ATOM 5562 H2 WAT A1854 0.706 15.533 36.769 1.00 0.00 H -ATOM 5563 O1 WAT A1855 2.451 30.098 7.170 1.00 0.00 O -ATOM 5564 H1 WAT A1855 1.925 30.832 7.486 1.00 0.00 H -ATOM 5565 H2 WAT A1855 2.611 30.296 6.248 1.00 0.00 H -ATOM 5566 O1 WAT A1856 7.251 22.740 3.428 1.00 0.00 O -ATOM 5567 H1 WAT A1856 7.966 23.318 3.162 1.00 0.00 H -ATOM 5568 H2 WAT A1856 6.672 23.296 3.948 1.00 0.00 H -ATOM 5569 O1 WAT A1857 33.581 34.634 34.497 1.00 0.00 O -ATOM 5570 H1 WAT A1857 34.373 35.127 34.282 1.00 0.00 H -ATOM 5571 H2 WAT A1857 33.762 34.251 35.354 1.00 0.00 H -ATOM 5572 O1 WAT A1858 6.848 22.617 25.879 1.00 0.00 O -ATOM 5573 H1 WAT A1858 7.426 23.296 25.531 1.00 0.00 H -ATOM 5574 H2 WAT A1858 7.440 21.977 26.273 1.00 0.00 H -ATOM 5575 O1 WAT A1859 14.007 11.656 25.271 1.00 0.00 O -ATOM 5576 H1 WAT A1859 14.858 11.604 25.706 1.00 0.00 H -ATOM 5577 H2 WAT A1859 13.469 12.185 25.858 1.00 0.00 H -ATOM 5578 O1 WAT A1860 16.502 11.565 29.093 1.00 0.00 O -ATOM 5579 H1 WAT A1860 16.507 10.721 29.547 1.00 0.00 H -ATOM 5580 H2 WAT A1860 16.877 12.179 29.723 1.00 0.00 H -ATOM 5581 O1 WAT A1861 23.331 34.659 36.752 1.00 0.00 O -ATOM 5582 H1 WAT A1861 23.152 34.327 37.632 1.00 0.00 H -ATOM 5583 H2 WAT A1861 24.267 34.507 36.623 1.00 0.00 H -ATOM 5584 O1 WAT A1862 0.000 4.792 18.667 1.00 0.00 O -ATOM 5585 H1 WAT A1862 0.003 3.926 18.261 1.00 0.00 H -ATOM 5586 H2 WAT A1862 0.151 4.622 19.597 1.00 0.00 H -ATOM 5587 O1 WAT A1863 0.043 13.271 22.719 1.00 0.00 O -ATOM 5588 H1 WAT A1863 0.021 14.193 22.976 1.00 0.00 H -ATOM 5589 H2 WAT A1863 0.000 13.287 21.763 1.00 0.00 H -ATOM 5590 O1 WAT A1864 32.312 30.791 16.472 1.00 0.00 O -ATOM 5591 H1 WAT A1864 33.136 30.896 16.947 1.00 0.00 H -ATOM 5592 H2 WAT A1864 32.260 29.855 16.283 1.00 0.00 H -ATOM 5593 O1 WAT A1865 3.695 3.989 25.666 1.00 0.00 O -ATOM 5594 H1 WAT A1865 4.363 3.303 25.668 1.00 0.00 H -ATOM 5595 H2 WAT A1865 3.667 4.301 26.570 1.00 0.00 H -ATOM 5596 O1 WAT A1866 19.071 13.761 0.716 1.00 0.00 O -ATOM 5597 H1 WAT A1866 18.495 14.032 0.001 1.00 0.00 H -ATOM 5598 H2 WAT A1866 19.891 13.519 0.285 1.00 0.00 H -ATOM 5599 O1 WAT A1867 34.567 5.707 20.165 1.00 0.00 O -ATOM 5600 H1 WAT A1867 35.044 4.912 20.403 1.00 0.00 H -ATOM 5601 H2 WAT A1867 34.174 6.005 20.984 1.00 0.00 H -ATOM 5602 O1 WAT A1868 14.368 1.288 12.198 1.00 0.00 O -ATOM 5603 H1 WAT A1868 14.242 1.094 11.269 1.00 0.00 H -ATOM 5604 H2 WAT A1868 14.167 0.466 12.644 1.00 0.00 H -ATOM 5605 O1 WAT A1869 23.085 33.035 21.550 1.00 0.00 O -ATOM 5606 H1 WAT A1869 22.532 32.844 22.307 1.00 0.00 H -ATOM 5607 H2 WAT A1869 23.459 33.896 21.736 1.00 0.00 H -ATOM 5608 O1 WAT A1870 13.394 35.260 15.154 1.00 0.00 O -ATOM 5609 H1 WAT A1870 14.069 34.583 15.205 1.00 0.00 H -ATOM 5610 H2 WAT A1870 12.618 34.854 15.537 1.00 0.00 H -ATOM 5611 O1 WAT A1871 37.042 6.220 25.685 1.00 0.00 O -ATOM 5612 H1 WAT A1871 37.778 5.761 26.090 1.00 0.00 H -ATOM 5613 H2 WAT A1871 36.894 6.979 26.247 1.00 0.00 H -ATOM 5614 O1 WAT A1872 10.103 21.960 29.736 1.00 0.00 O -ATOM 5615 H1 WAT A1872 9.539 22.470 29.155 1.00 0.00 H -ATOM 5616 H2 WAT A1872 10.549 22.614 30.273 1.00 0.00 H -ATOM 5617 O1 WAT A1873 20.801 19.798 3.692 1.00 0.00 O -ATOM 5618 H1 WAT A1873 20.825 19.403 2.820 1.00 0.00 H -ATOM 5619 H2 WAT A1873 19.916 20.154 3.770 1.00 0.00 H -ATOM 5620 O1 WAT A1874 10.987 31.910 37.573 1.00 0.00 O -ATOM 5621 H1 WAT A1874 11.618 32.482 38.011 1.00 0.00 H -ATOM 5622 H2 WAT A1874 10.381 32.509 37.139 1.00 0.00 H -ATOM 5623 O1 WAT A1875 15.833 0.890 19.402 1.00 0.00 O -ATOM 5624 H1 WAT A1875 14.968 1.301 19.408 1.00 0.00 H -ATOM 5625 H2 WAT A1875 15.673 0.000 19.089 1.00 0.00 H -ATOM 5626 O1 WAT A1876 14.087 9.382 11.941 1.00 0.00 O -ATOM 5627 H1 WAT A1876 13.138 9.259 11.967 1.00 0.00 H -ATOM 5628 H2 WAT A1876 14.228 10.246 12.326 1.00 0.00 H -ATOM 5629 O1 WAT A1877 27.382 11.707 8.514 1.00 0.00 O -ATOM 5630 H1 WAT A1877 27.931 11.025 8.902 1.00 0.00 H -ATOM 5631 H2 WAT A1877 26.818 11.998 9.230 1.00 0.00 H -ATOM 5632 O1 WAT A1878 37.247 1.830 32.164 1.00 0.00 O -ATOM 5633 H1 WAT A1878 36.625 1.791 32.891 1.00 0.00 H -ATOM 5634 H2 WAT A1878 37.929 2.430 32.464 1.00 0.00 H -ATOM 5635 O1 WAT A1879 34.179 9.867 24.053 1.00 0.00 O -ATOM 5636 H1 WAT A1879 34.959 10.414 24.150 1.00 0.00 H -ATOM 5637 H2 WAT A1879 33.482 10.481 23.824 1.00 0.00 H -ATOM 5638 O1 WAT A1880 3.128 19.954 35.091 1.00 0.00 O -ATOM 5639 H1 WAT A1880 2.241 20.182 34.814 1.00 0.00 H -ATOM 5640 H2 WAT A1880 3.058 19.819 36.035 1.00 0.00 H -ATOM 5641 O1 WAT A1881 30.187 31.369 26.167 1.00 0.00 O -ATOM 5642 H1 WAT A1881 29.287 31.279 26.481 1.00 0.00 H -ATOM 5643 H2 WAT A1881 30.429 32.268 26.385 1.00 0.00 H -ATOM 5644 O1 WAT A1882 37.274 18.589 6.453 1.00 0.00 O -ATOM 5645 H1 WAT A1882 36.711 17.824 6.571 1.00 0.00 H -ATOM 5646 H2 WAT A1882 38.110 18.229 6.159 1.00 0.00 H -ATOM 5647 O1 WAT A1883 24.130 18.376 17.483 1.00 0.00 O -ATOM 5648 H1 WAT A1883 23.433 18.049 18.052 1.00 0.00 H -ATOM 5649 H2 WAT A1883 24.371 17.624 16.942 1.00 0.00 H -ATOM 5650 O1 WAT A1884 28.914 16.510 7.429 1.00 0.00 O -ATOM 5651 H1 WAT A1884 28.075 16.056 7.357 1.00 0.00 H -ATOM 5652 H2 WAT A1884 29.197 16.635 6.524 1.00 0.00 H -ATOM 5653 O1 WAT A1885 14.840 7.797 27.446 1.00 0.00 O -ATOM 5654 H1 WAT A1885 15.187 8.430 26.817 1.00 0.00 H -ATOM 5655 H2 WAT A1885 15.467 7.075 27.433 1.00 0.00 H -ATOM 5656 O1 WAT A1886 22.131 32.609 32.616 1.00 0.00 O -ATOM 5657 H1 WAT A1886 21.547 33.017 33.256 1.00 0.00 H -ATOM 5658 H2 WAT A1886 22.451 33.336 32.084 1.00 0.00 H -ATOM 5659 O1 WAT A1887 33.060 8.491 25.390 1.00 0.00 O -ATOM 5660 H1 WAT A1887 32.412 7.792 25.475 1.00 0.00 H -ATOM 5661 H2 WAT A1887 33.896 8.035 25.307 1.00 0.00 H -ATOM 5662 O1 WAT A1888 4.518 10.673 2.725 1.00 0.00 O -ATOM 5663 H1 WAT A1888 4.247 9.781 2.509 1.00 0.00 H -ATOM 5664 H2 WAT A1888 5.463 10.679 2.577 1.00 0.00 H -ATOM 5665 O1 WAT A1889 12.821 13.890 18.674 1.00 0.00 O -ATOM 5666 H1 WAT A1889 12.779 14.845 18.729 1.00 0.00 H -ATOM 5667 H2 WAT A1889 13.697 13.670 18.991 1.00 0.00 H -ATOM 5668 O1 WAT A1890 21.797 7.576 16.713 1.00 0.00 O -ATOM 5669 H1 WAT A1890 21.338 6.972 16.128 1.00 0.00 H -ATOM 5670 H2 WAT A1890 21.265 8.371 16.703 1.00 0.00 H -ATOM 5671 O1 WAT A1891 7.046 0.986 11.142 1.00 0.00 O -ATOM 5672 H1 WAT A1891 6.785 0.066 11.096 1.00 0.00 H -ATOM 5673 H2 WAT A1891 6.237 1.454 11.350 1.00 0.00 H -ATOM 5674 O1 WAT A1892 14.917 27.944 5.016 1.00 0.00 O -ATOM 5675 H1 WAT A1892 14.574 28.100 4.135 1.00 0.00 H -ATOM 5676 H2 WAT A1892 15.444 27.149 4.931 1.00 0.00 H -ATOM 5677 O1 WAT A1893 2.387 9.252 0.960 1.00 0.00 O -ATOM 5678 H1 WAT A1893 2.045 9.856 1.620 1.00 0.00 H -ATOM 5679 H2 WAT A1893 2.697 8.499 1.463 1.00 0.00 H -ATOM 5680 O1 WAT A1894 13.121 19.053 23.944 1.00 0.00 O -ATOM 5681 H1 WAT A1894 12.416 18.409 23.878 1.00 0.00 H -ATOM 5682 H2 WAT A1894 13.443 19.150 23.049 1.00 0.00 H -ATOM 5683 O1 WAT A1895 30.666 7.930 4.458 1.00 0.00 O -ATOM 5684 H1 WAT A1895 29.773 7.739 4.745 1.00 0.00 H -ATOM 5685 H2 WAT A1895 30.833 7.301 3.757 1.00 0.00 H -ATOM 5686 O1 WAT A1896 24.512 4.773 1.332 1.00 0.00 O -ATOM 5687 H1 WAT A1896 25.152 5.268 0.821 1.00 0.00 H -ATOM 5688 H2 WAT A1896 24.677 3.859 1.105 1.00 0.00 H -ATOM 5689 O1 WAT A1897 23.101 11.072 33.877 1.00 0.00 O -ATOM 5690 H1 WAT A1897 22.239 11.190 34.277 1.00 0.00 H -ATOM 5691 H2 WAT A1897 22.955 10.443 33.172 1.00 0.00 H -ATOM 5692 O1 WAT A1898 31.798 19.161 23.382 1.00 0.00 O -ATOM 5693 H1 WAT A1898 31.101 19.754 23.102 1.00 0.00 H -ATOM 5694 H2 WAT A1898 32.605 19.583 23.091 1.00 0.00 H -ATOM 5695 O1 WAT A1899 29.697 11.506 10.757 1.00 0.00 O -ATOM 5696 H1 WAT A1899 28.854 11.952 10.671 1.00 0.00 H -ATOM 5697 H2 WAT A1899 29.568 10.662 10.326 1.00 0.00 H -ATOM 5698 O1 WAT A1900 18.591 10.976 13.557 1.00 0.00 O -ATOM 5699 H1 WAT A1900 17.787 10.860 14.064 1.00 0.00 H -ATOM 5700 H2 WAT A1900 18.781 10.106 13.206 1.00 0.00 H -ATOM 5701 O1 WAT A1901 21.463 0.432 19.670 1.00 0.00 O -ATOM 5702 H1 WAT A1901 20.843 0.000 20.259 1.00 0.00 H -ATOM 5703 H2 WAT A1901 21.960 1.022 20.236 1.00 0.00 H -ATOM 5704 O1 WAT A1902 32.263 18.074 2.892 1.00 0.00 O -ATOM 5705 H1 WAT A1902 33.063 18.586 3.013 1.00 0.00 H -ATOM 5706 H2 WAT A1902 32.415 17.270 3.389 1.00 0.00 H -ATOM 5707 O1 WAT A1903 35.494 23.216 10.835 1.00 0.00 O -ATOM 5708 H1 WAT A1903 34.971 22.435 11.014 1.00 0.00 H -ATOM 5709 H2 WAT A1903 36.316 22.879 10.480 1.00 0.00 H -ATOM 5710 O1 WAT A1904 37.423 0.697 28.156 1.00 0.00 O -ATOM 5711 H1 WAT A1904 37.466 1.644 28.019 1.00 0.00 H -ATOM 5712 H2 WAT A1904 38.056 0.526 28.853 1.00 0.00 H -ATOM 5713 O1 WAT A1905 30.898 1.239 27.935 1.00 0.00 O -ATOM 5714 H1 WAT A1905 31.150 2.054 28.371 1.00 0.00 H -ATOM 5715 H2 WAT A1905 30.494 0.713 28.623 1.00 0.00 H -ATOM 5716 O1 WAT A1906 16.236 18.317 1.063 1.00 0.00 O -ATOM 5717 H1 WAT A1906 16.680 18.011 0.272 1.00 0.00 H -ATOM 5718 H2 WAT A1906 16.777 17.994 1.783 1.00 0.00 H -ATOM 5719 O1 WAT A1907 27.024 14.820 27.437 1.00 0.00 O -ATOM 5720 H1 WAT A1907 26.851 14.422 26.583 1.00 0.00 H -ATOM 5721 H2 WAT A1907 26.173 14.832 27.873 1.00 0.00 H -ATOM 5722 O1 WAT A1908 6.861 6.397 33.311 1.00 0.00 O -ATOM 5723 H1 WAT A1908 6.341 5.606 33.168 1.00 0.00 H -ATOM 5724 H2 WAT A1908 7.764 6.122 33.155 1.00 0.00 H -ATOM 5725 O1 WAT A1909 20.824 38.074 4.707 1.00 0.00 O -ATOM 5726 H1 WAT A1909 21.053 38.396 5.579 1.00 0.00 H -ATOM 5727 H2 WAT A1909 19.936 38.396 4.557 1.00 0.00 H -ATOM 5728 O1 WAT A1910 0.000 8.858 23.573 1.00 0.00 O -ATOM 5729 H1 WAT A1910 0.909 8.843 23.273 1.00 0.00 H -ATOM 5730 H2 WAT A1910 0.048 8.606 24.495 1.00 0.00 H -ATOM 5731 O1 WAT A1911 5.846 18.312 12.741 1.00 0.00 O -ATOM 5732 H1 WAT A1911 5.460 17.656 13.322 1.00 0.00 H -ATOM 5733 H2 WAT A1911 6.771 18.074 12.691 1.00 0.00 H -ATOM 5734 O1 WAT A1912 8.109 14.112 28.653 1.00 0.00 O -ATOM 5735 H1 WAT A1912 8.582 14.921 28.848 1.00 0.00 H -ATOM 5736 H2 WAT A1912 7.330 14.150 29.208 1.00 0.00 H -ATOM 5737 O1 WAT A1913 29.410 33.534 12.075 1.00 0.00 O -ATOM 5738 H1 WAT A1913 30.134 33.836 12.625 1.00 0.00 H -ATOM 5739 H2 WAT A1913 29.566 33.945 11.225 1.00 0.00 H -ATOM 5740 O1 WAT A1914 27.309 19.930 26.793 1.00 0.00 O -ATOM 5741 H1 WAT A1914 26.432 19.545 26.783 1.00 0.00 H -ATOM 5742 H2 WAT A1914 27.174 20.827 27.099 1.00 0.00 H -ATOM 5743 O1 WAT A1915 31.270 1.996 25.092 1.00 0.00 O -ATOM 5744 H1 WAT A1915 30.336 2.112 25.267 1.00 0.00 H -ATOM 5745 H2 WAT A1915 31.346 2.066 24.141 1.00 0.00 H -ATOM 5746 O1 WAT A1916 2.664 6.004 32.004 1.00 0.00 O -ATOM 5747 H1 WAT A1916 2.950 5.523 32.781 1.00 0.00 H -ATOM 5748 H2 WAT A1916 3.087 6.858 32.080 1.00 0.00 H -ATOM 5749 O1 WAT A1917 23.625 13.207 21.519 1.00 0.00 O -ATOM 5750 H1 WAT A1917 23.104 12.405 21.493 1.00 0.00 H -ATOM 5751 H2 WAT A1917 24.474 12.955 21.156 1.00 0.00 H -ATOM 5752 O1 WAT A1918 3.709 8.045 13.553 1.00 0.00 O -ATOM 5753 H1 WAT A1918 3.679 8.975 13.327 1.00 0.00 H -ATOM 5754 H2 WAT A1918 4.638 7.821 13.529 1.00 0.00 H -ATOM 5755 O1 WAT A1919 8.336 9.614 11.885 1.00 0.00 O -ATOM 5756 H1 WAT A1919 9.061 10.010 12.369 1.00 0.00 H -ATOM 5757 H2 WAT A1919 7.726 9.324 12.563 1.00 0.00 H -ATOM 5758 O1 WAT A1920 4.292 20.445 27.900 1.00 0.00 O -ATOM 5759 H1 WAT A1920 4.749 21.245 27.639 1.00 0.00 H -ATOM 5760 H2 WAT A1920 4.971 19.898 28.293 1.00 0.00 H -ATOM 5761 O1 WAT A1921 26.572 23.705 9.803 1.00 0.00 O -ATOM 5762 H1 WAT A1921 27.488 23.982 9.822 1.00 0.00 H -ATOM 5763 H2 WAT A1921 26.589 22.797 10.104 1.00 0.00 H -ATOM 5764 O1 WAT A1922 25.437 28.007 27.723 1.00 0.00 O -ATOM 5765 H1 WAT A1922 25.854 28.783 27.349 1.00 0.00 H -ATOM 5766 H2 WAT A1922 26.152 27.526 28.138 1.00 0.00 H -ATOM 5767 O1 WAT A1923 30.198 13.826 33.808 1.00 0.00 O -ATOM 5768 H1 WAT A1923 29.772 14.534 33.325 1.00 0.00 H -ATOM 5769 H2 WAT A1923 29.503 13.186 33.959 1.00 0.00 H -ATOM 5770 O1 WAT A1924 30.421 10.157 6.396 1.00 0.00 O -ATOM 5771 H1 WAT A1924 30.072 10.023 5.515 1.00 0.00 H -ATOM 5772 H2 WAT A1924 29.702 9.911 6.978 1.00 0.00 H -ATOM 5773 O1 WAT A1925 29.261 19.285 6.989 1.00 0.00 O -ATOM 5774 H1 WAT A1925 28.725 18.779 6.379 1.00 0.00 H -ATOM 5775 H2 WAT A1925 29.451 18.677 7.703 1.00 0.00 H -ATOM 5776 O1 WAT A1926 37.520 25.844 33.871 1.00 0.00 O -ATOM 5777 H1 WAT A1926 37.696 26.744 34.147 1.00 0.00 H -ATOM 5778 H2 WAT A1926 37.037 25.459 34.602 1.00 0.00 H -ATOM 5779 O1 WAT A1927 9.812 32.811 14.541 1.00 0.00 O -ATOM 5780 H1 WAT A1927 10.711 33.107 14.399 1.00 0.00 H -ATOM 5781 H2 WAT A1927 9.406 32.851 13.676 1.00 0.00 H -ATOM 5782 O1 WAT A1928 31.513 9.549 9.023 1.00 0.00 O -ATOM 5783 H1 WAT A1928 30.603 9.270 8.923 1.00 0.00 H -ATOM 5784 H2 WAT A1928 32.018 8.902 8.532 1.00 0.00 H -ATOM 5785 O1 WAT A1929 8.528 34.708 4.968 1.00 0.00 O -ATOM 5786 H1 WAT A1929 7.944 35.448 4.804 1.00 0.00 H -ATOM 5787 H2 WAT A1929 9.279 35.089 5.421 1.00 0.00 H -ATOM 5788 O1 WAT A1930 18.497 0.516 11.911 1.00 0.00 O -ATOM 5789 H1 WAT A1930 17.685 0.010 11.923 1.00 0.00 H -ATOM 5790 H2 WAT A1930 18.252 1.374 12.257 1.00 0.00 H -ATOM 5791 O1 WAT A1931 25.169 7.155 17.696 1.00 0.00 O -ATOM 5792 H1 WAT A1931 24.887 7.666 18.455 1.00 0.00 H -ATOM 5793 H2 WAT A1931 25.351 7.807 17.021 1.00 0.00 H -ATOM 5794 O1 WAT A1932 19.961 20.344 21.707 1.00 0.00 O -ATOM 5795 H1 WAT A1932 20.316 21.233 21.717 1.00 0.00 H -ATOM 5796 H2 WAT A1932 19.087 20.439 21.329 1.00 0.00 H -ATOM 5797 O1 WAT A1933 5.999 1.818 20.451 1.00 0.00 O -ATOM 5798 H1 WAT A1933 6.217 1.333 19.655 1.00 0.00 H -ATOM 5799 H2 WAT A1933 6.837 1.937 20.898 1.00 0.00 H -ATOM 5800 O1 WAT A1934 5.250 19.082 30.322 1.00 0.00 O -ATOM 5801 H1 WAT A1934 6.132 19.424 30.473 1.00 0.00 H -ATOM 5802 H2 WAT A1934 5.232 18.249 30.793 1.00 0.00 H -ATOM 5803 O1 WAT A1935 5.575 5.877 24.217 1.00 0.00 O -ATOM 5804 H1 WAT A1935 5.037 5.086 24.198 1.00 0.00 H -ATOM 5805 H2 WAT A1935 6.412 5.607 23.841 1.00 0.00 H -ATOM 5806 O1 WAT A1936 5.495 9.797 27.412 1.00 0.00 O -ATOM 5807 H1 WAT A1936 5.231 10.710 27.522 1.00 0.00 H -ATOM 5808 H2 WAT A1936 4.675 9.305 27.432 1.00 0.00 H -ATOM 5809 O1 WAT A1937 1.271 16.781 2.728 1.00 0.00 O -ATOM 5810 H1 WAT A1937 1.095 16.573 3.645 1.00 0.00 H -ATOM 5811 H2 WAT A1937 0.419 17.029 2.370 1.00 0.00 H -ATOM 5812 O1 WAT A1938 32.793 24.861 37.716 1.00 0.00 O -ATOM 5813 H1 WAT A1938 33.511 25.486 37.613 1.00 0.00 H -ATOM 5814 H2 WAT A1938 33.176 24.015 37.488 1.00 0.00 H -ATOM 5815 O1 WAT A1939 33.037 0.577 19.495 1.00 0.00 O -ATOM 5816 H1 WAT A1939 33.536 0.001 18.916 1.00 0.00 H -ATOM 5817 H2 WAT A1939 32.404 0.000 19.921 1.00 0.00 H -ATOM 5818 O1 WAT A1940 24.413 34.074 33.791 1.00 0.00 O -ATOM 5819 H1 WAT A1940 23.822 33.323 33.829 1.00 0.00 H -ATOM 5820 H2 WAT A1940 25.175 33.757 33.306 1.00 0.00 H -ATOM 5821 O1 WAT A1941 29.288 38.027 32.842 1.00 0.00 O -ATOM 5822 H1 WAT A1941 29.140 37.461 32.084 1.00 0.00 H -ATOM 5823 H2 WAT A1941 28.853 37.578 33.566 1.00 0.00 H -ATOM 5824 O1 WAT A1942 25.987 10.086 27.164 1.00 0.00 O -ATOM 5825 H1 WAT A1942 25.135 10.190 27.588 1.00 0.00 H -ATOM 5826 H2 WAT A1942 25.804 9.574 26.378 1.00 0.00 H -ATOM 5827 O1 WAT A1943 20.278 11.000 31.482 1.00 0.00 O -ATOM 5828 H1 WAT A1943 19.592 11.368 30.925 1.00 0.00 H -ATOM 5829 H2 WAT A1943 20.573 11.737 32.017 1.00 0.00 H -ATOM 5830 O1 WAT A1944 35.222 30.703 14.438 1.00 0.00 O -ATOM 5831 H1 WAT A1944 35.253 29.746 14.467 1.00 0.00 H -ATOM 5832 H2 WAT A1944 35.875 30.984 15.077 1.00 0.00 H -ATOM 5833 O1 WAT A1945 24.018 10.181 8.780 1.00 0.00 O -ATOM 5834 H1 WAT A1945 23.095 10.405 8.893 1.00 0.00 H -ATOM 5835 H2 WAT A1945 24.494 10.917 9.163 1.00 0.00 H -ATOM 5836 O1 WAT A1946 37.084 26.443 17.983 1.00 0.00 O -ATOM 5837 H1 WAT A1946 37.198 25.545 18.296 1.00 0.00 H -ATOM 5838 H2 WAT A1946 37.436 26.989 18.685 1.00 0.00 H -ATOM 5839 O1 WAT A1947 20.620 19.757 33.669 1.00 0.00 O -ATOM 5840 H1 WAT A1947 21.573 19.781 33.757 1.00 0.00 H -ATOM 5841 H2 WAT A1947 20.415 20.484 33.082 1.00 0.00 H -ATOM 5842 O1 WAT A1948 9.677 3.338 32.419 1.00 0.00 O -ATOM 5843 H1 WAT A1948 10.415 2.736 32.514 1.00 0.00 H -ATOM 5844 H2 WAT A1948 10.081 4.196 32.292 1.00 0.00 H -ATOM 5845 O1 WAT A1949 17.126 5.055 6.905 1.00 0.00 O -ATOM 5846 H1 WAT A1949 17.075 4.837 5.974 1.00 0.00 H -ATOM 5847 H2 WAT A1949 16.710 4.317 7.348 1.00 0.00 H -ATOM 5848 O1 WAT A1950 14.097 23.130 8.412 1.00 0.00 O -ATOM 5849 H1 WAT A1950 13.418 23.698 8.047 1.00 0.00 H -ATOM 5850 H2 WAT A1950 13.696 22.262 8.436 1.00 0.00 H -ATOM 5851 O1 WAT A1951 26.523 5.244 18.271 1.00 0.00 O -ATOM 5852 H1 WAT A1951 25.879 5.073 17.583 1.00 0.00 H -ATOM 5853 H2 WAT A1951 27.021 5.996 17.952 1.00 0.00 H -ATOM 5854 O1 WAT A1952 34.760 19.942 10.683 1.00 0.00 O -ATOM 5855 H1 WAT A1952 33.986 20.504 10.633 1.00 0.00 H -ATOM 5856 H2 WAT A1952 34.627 19.421 11.474 1.00 0.00 H -ATOM 5857 O1 WAT A1953 28.542 31.878 14.557 1.00 0.00 O -ATOM 5858 H1 WAT A1953 27.733 31.679 14.085 1.00 0.00 H -ATOM 5859 H2 WAT A1953 29.209 31.941 13.875 1.00 0.00 H -ATOM 5860 O1 WAT A1954 21.706 26.986 22.899 1.00 0.00 O -ATOM 5861 H1 WAT A1954 22.151 26.183 22.628 1.00 0.00 H -ATOM 5862 H2 WAT A1954 21.718 26.957 23.855 1.00 0.00 H -ATOM 5863 O1 WAT A1955 20.393 14.625 8.379 1.00 0.00 O -ATOM 5864 H1 WAT A1955 20.744 15.109 9.127 1.00 0.00 H -ATOM 5865 H2 WAT A1955 19.693 14.088 8.748 1.00 0.00 H -ATOM 5866 O1 WAT A1956 20.271 33.436 8.060 1.00 0.00 O -ATOM 5867 H1 WAT A1956 19.866 33.088 8.855 1.00 0.00 H -ATOM 5868 H2 WAT A1956 21.106 32.974 7.994 1.00 0.00 H -ATOM 5869 O1 WAT A1957 14.442 4.485 30.482 1.00 0.00 O -ATOM 5870 H1 WAT A1957 13.521 4.226 30.515 1.00 0.00 H -ATOM 5871 H2 WAT A1957 14.442 5.406 30.742 1.00 0.00 H -ATOM 5872 O1 WAT A1958 29.474 37.048 3.805 1.00 0.00 O -ATOM 5873 H1 WAT A1958 29.814 36.937 4.693 1.00 0.00 H -ATOM 5874 H2 WAT A1958 29.777 37.915 3.538 1.00 0.00 H -ATOM 5875 O1 WAT A1959 13.038 23.090 2.508 1.00 0.00 O -ATOM 5876 H1 WAT A1959 12.172 23.458 2.333 1.00 0.00 H -ATOM 5877 H2 WAT A1959 12.945 22.646 3.350 1.00 0.00 H -ATOM 5878 O1 WAT A1960 18.432 28.802 16.533 1.00 0.00 O -ATOM 5879 H1 WAT A1960 17.709 28.175 16.514 1.00 0.00 H -ATOM 5880 H2 WAT A1960 18.057 29.589 16.927 1.00 0.00 H -ATOM 5881 O1 WAT A1961 35.260 11.683 14.666 1.00 0.00 O -ATOM 5882 H1 WAT A1961 35.965 11.117 14.981 1.00 0.00 H -ATOM 5883 H2 WAT A1961 34.470 11.337 15.081 1.00 0.00 H -ATOM 5884 O1 WAT A1962 22.272 30.428 24.558 1.00 0.00 O -ATOM 5885 H1 WAT A1962 23.093 29.951 24.435 1.00 0.00 H -ATOM 5886 H2 WAT A1962 22.473 31.325 24.294 1.00 0.00 H -ATOM 5887 O1 WAT A1963 24.125 27.950 4.210 1.00 0.00 O -ATOM 5888 H1 WAT A1963 24.953 27.945 3.730 1.00 0.00 H -ATOM 5889 H2 WAT A1963 23.469 28.183 3.554 1.00 0.00 H -ATOM 5890 O1 WAT A1964 8.552 5.718 4.771 1.00 0.00 O -ATOM 5891 H1 WAT A1964 9.503 5.811 4.828 1.00 0.00 H -ATOM 5892 H2 WAT A1964 8.365 4.888 5.208 1.00 0.00 H -ATOM 5893 O1 WAT A1965 15.747 31.478 37.391 1.00 0.00 O -ATOM 5894 H1 WAT A1965 15.651 30.529 37.475 1.00 0.00 H -ATOM 5895 H2 WAT A1965 15.140 31.721 36.693 1.00 0.00 H -ATOM 5896 O1 WAT A1966 1.543 35.284 31.405 1.00 0.00 O -ATOM 5897 H1 WAT A1966 1.340 34.827 32.221 1.00 0.00 H -ATOM 5898 H2 WAT A1966 2.051 34.653 30.896 1.00 0.00 H -ATOM 5899 O1 WAT A1967 31.855 31.045 34.646 1.00 0.00 O -ATOM 5900 H1 WAT A1967 31.278 30.491 34.120 1.00 0.00 H -ATOM 5901 H2 WAT A1967 31.873 30.626 35.506 1.00 0.00 H -ATOM 5902 O1 WAT A1968 27.080 8.447 15.819 1.00 0.00 O -ATOM 5903 H1 WAT A1968 26.863 9.251 16.291 1.00 0.00 H -ATOM 5904 H2 WAT A1968 28.004 8.296 16.015 1.00 0.00 H -ATOM 5905 O1 WAT A1969 17.336 23.658 16.823 1.00 0.00 O -ATOM 5906 H1 WAT A1969 17.059 22.760 17.006 1.00 0.00 H -ATOM 5907 H2 WAT A1969 18.140 23.562 16.313 1.00 0.00 H -ATOM 5908 O1 WAT A1970 8.804 17.614 10.129 1.00 0.00 O -ATOM 5909 H1 WAT A1970 8.472 16.741 10.336 1.00 0.00 H -ATOM 5910 H2 WAT A1970 9.671 17.459 9.755 1.00 0.00 H -ATOM 5911 O1 WAT A1971 31.704 6.319 21.966 1.00 0.00 O -ATOM 5912 H1 WAT A1971 31.456 5.603 22.551 1.00 0.00 H -ATOM 5913 H2 WAT A1971 31.028 6.321 21.289 1.00 0.00 H -ATOM 5914 O1 WAT A1972 10.271 15.849 23.812 1.00 0.00 O -ATOM 5915 H1 WAT A1972 9.922 16.298 23.042 1.00 0.00 H -ATOM 5916 H2 WAT A1972 10.934 16.444 24.158 1.00 0.00 H -ATOM 5917 O1 WAT A1973 23.478 23.966 15.302 1.00 0.00 O -ATOM 5918 H1 WAT A1973 23.074 23.302 14.744 1.00 0.00 H -ATOM 5919 H2 WAT A1973 22.766 24.569 15.512 1.00 0.00 H -ATOM 5920 O1 WAT A1974 11.963 8.480 -0.004 1.00 0.00 O -ATOM 5921 H1 WAT A1974 11.799 7.546 0.128 1.00 0.00 H -ATOM 5922 H2 WAT A1974 11.121 8.899 0.170 1.00 0.00 H -ATOM 5923 O1 WAT A1975 13.186 18.724 12.115 1.00 0.00 O -ATOM 5924 H1 WAT A1975 12.390 18.380 12.520 1.00 0.00 H -ATOM 5925 H2 WAT A1975 13.314 19.579 12.524 1.00 0.00 H -ATOM 5926 O1 WAT A1976 33.819 35.447 1.707 1.00 0.00 O -ATOM 5927 H1 WAT A1976 34.324 34.789 2.184 1.00 0.00 H -ATOM 5928 H2 WAT A1976 34.476 36.053 1.364 1.00 0.00 H -ATOM 5929 O1 WAT A1977 19.802 11.814 15.299 1.00 0.00 O -ATOM 5930 H1 WAT A1977 19.510 11.082 15.842 1.00 0.00 H -ATOM 5931 H2 WAT A1977 19.088 12.449 15.349 1.00 0.00 H -ATOM 5932 O1 WAT A1978 6.451 16.545 8.667 1.00 0.00 O -ATOM 5933 H1 WAT A1978 7.135 15.886 8.787 1.00 0.00 H -ATOM 5934 H2 WAT A1978 6.326 16.922 9.537 1.00 0.00 H -ATOM 5935 O1 WAT A1979 6.740 8.180 15.857 1.00 0.00 O -ATOM 5936 H1 WAT A1979 6.984 7.467 15.266 1.00 0.00 H -ATOM 5937 H2 WAT A1979 7.175 8.952 15.495 1.00 0.00 H -ATOM 5938 O1 WAT A1980 23.319 33.007 27.708 1.00 0.00 O -ATOM 5939 H1 WAT A1980 23.532 33.506 26.919 1.00 0.00 H -ATOM 5940 H2 WAT A1980 24.081 33.115 28.275 1.00 0.00 H -ATOM 5941 O1 WAT A1981 24.091 1.237 36.908 1.00 0.00 O -ATOM 5942 H1 WAT A1981 24.287 0.353 37.219 1.00 0.00 H -ATOM 5943 H2 WAT A1981 23.192 1.399 37.193 1.00 0.00 H -ATOM 5944 O1 WAT A1982 1.446 21.039 3.007 1.00 0.00 O -ATOM 5945 H1 WAT A1982 0.673 21.547 2.760 1.00 0.00 H -ATOM 5946 H2 WAT A1982 1.494 21.122 3.959 1.00 0.00 H -ATOM 5947 O1 WAT A1983 7.473 29.078 33.634 1.00 0.00 O -ATOM 5948 H1 WAT A1983 7.827 29.227 32.757 1.00 0.00 H -ATOM 5949 H2 WAT A1983 8.241 29.066 34.205 1.00 0.00 H -ATOM 5950 O1 WAT A1984 11.093 19.450 37.662 1.00 0.00 O -ATOM 5951 H1 WAT A1984 10.150 19.490 37.821 1.00 0.00 H -ATOM 5952 H2 WAT A1984 11.417 20.311 37.924 1.00 0.00 H -ATOM 5953 O1 WAT A1985 0.800 18.334 31.004 1.00 0.00 O -ATOM 5954 H1 WAT A1985 0.001 18.675 30.604 1.00 0.00 H -ATOM 5955 H2 WAT A1985 0.926 17.477 30.598 1.00 0.00 H -ATOM 5956 O1 WAT A1986 28.193 5.090 9.809 1.00 0.00 O -ATOM 5957 H1 WAT A1986 27.593 4.348 9.726 1.00 0.00 H -ATOM 5958 H2 WAT A1986 29.031 4.758 9.490 1.00 0.00 H -ATOM 5959 O1 WAT A1987 9.565 30.647 13.994 1.00 0.00 O -ATOM 5960 H1 WAT A1987 8.692 30.606 14.385 1.00 0.00 H -ATOM 5961 H2 WAT A1987 10.156 30.389 14.700 1.00 0.00 H -ATOM 5962 O1 WAT A1988 14.632 14.144 13.102 1.00 0.00 O -ATOM 5963 H1 WAT A1988 15.106 13.472 12.611 1.00 0.00 H -ATOM 5964 H2 WAT A1988 14.371 13.710 13.913 1.00 0.00 H -ATOM 5965 O1 WAT A1989 1.964 9.337 30.770 1.00 0.00 O -ATOM 5966 H1 WAT A1989 2.107 9.538 29.845 1.00 0.00 H -ATOM 5967 H2 WAT A1989 1.485 8.509 30.765 1.00 0.00 H -ATOM 5968 O1 WAT A1990 7.917 14.834 38.121 1.00 0.00 O -ATOM 5969 H1 WAT A1990 8.691 14.914 37.562 1.00 0.00 H -ATOM 5970 H2 WAT A1990 7.915 13.919 38.399 1.00 0.00 H -ATOM 5971 O1 WAT A1991 11.561 12.081 4.123 1.00 0.00 O -ATOM 5972 H1 WAT A1991 10.824 11.482 4.001 1.00 0.00 H -ATOM 5973 H2 WAT A1991 11.154 12.929 4.300 1.00 0.00 H -ATOM 5974 O1 WAT A1992 3.660 29.657 3.378 1.00 0.00 O -ATOM 5975 H1 WAT A1992 3.259 30.331 2.829 1.00 0.00 H -ATOM 5976 H2 WAT A1992 3.801 28.918 2.786 1.00 0.00 H -ATOM 5977 O1 WAT A1993 2.498 36.126 11.714 1.00 0.00 O -ATOM 5978 H1 WAT A1993 2.512 35.445 11.040 1.00 0.00 H -ATOM 5979 H2 WAT A1993 1.889 35.798 12.374 1.00 0.00 H -ATOM 5980 O1 WAT A1994 19.066 0.977 30.505 1.00 0.00 O -ATOM 5981 H1 WAT A1994 18.532 1.724 30.775 1.00 0.00 H -ATOM 5982 H2 WAT A1994 18.444 0.366 30.111 1.00 0.00 H -ATOM 5983 O1 WAT A1995 24.446 13.503 11.184 1.00 0.00 O -ATOM 5984 H1 WAT A1995 24.076 12.963 10.485 1.00 0.00 H -ATOM 5985 H2 WAT A1995 25.369 13.253 11.218 1.00 0.00 H -ATOM 5986 O1 WAT A1996 34.625 35.571 16.873 1.00 0.00 O -ATOM 5987 H1 WAT A1996 34.212 35.886 17.677 1.00 0.00 H -ATOM 5988 H2 WAT A1996 34.017 34.916 16.531 1.00 0.00 H -ATOM 5989 O1 WAT A1997 2.027 34.778 21.802 1.00 0.00 O -ATOM 5990 H1 WAT A1997 1.530 35.131 22.541 1.00 0.00 H -ATOM 5991 H2 WAT A1997 2.206 35.538 21.249 1.00 0.00 H -ATOM 5992 O1 WAT A1998 17.362 5.040 33.815 1.00 0.00 O -ATOM 5993 H1 WAT A1998 17.378 5.594 34.595 1.00 0.00 H -ATOM 5994 H2 WAT A1998 18.081 5.364 33.275 1.00 0.00 H -ATOM 5995 O1 WAT A1999 24.655 6.569 38.395 1.00 0.00 O -ATOM 5996 H1 WAT A1999 25.066 7.431 38.329 1.00 0.00 H -ATOM 5997 H2 WAT A1999 23.998 6.562 37.699 1.00 0.00 H -ATOM 5998 O1 WAT A2000 6.731 26.719 11.356 1.00 0.00 O -ATOM 5999 H1 WAT A2000 7.116 26.678 12.232 1.00 0.00 H -ATOM 6000 H2 WAT A2000 5.787 26.704 11.508 1.00 0.00 H -ATOM 6001 O1 WAT A2001 36.942 26.163 13.679 1.00 0.00 O -ATOM 6002 H1 WAT A2001 36.593 26.493 14.507 1.00 0.00 H -ATOM 6003 H2 WAT A2001 37.825 26.527 13.628 1.00 0.00 H -ATOM 6004 O1 WAT A2002 16.739 37.029 8.090 1.00 0.00 O -ATOM 6005 H1 WAT A2002 16.805 36.979 7.137 1.00 0.00 H -ATOM 6006 H2 WAT A2002 17.642 36.960 8.398 1.00 0.00 H -ATOM 6007 O1 WAT A2003 6.393 5.438 27.001 1.00 0.00 O -ATOM 6008 H1 WAT A2003 6.891 4.907 26.379 1.00 0.00 H -ATOM 6009 H2 WAT A2003 7.058 5.860 27.543 1.00 0.00 H -ATOM 6010 O1 WAT A2004 15.372 7.075 29.631 1.00 0.00 O -ATOM 6011 H1 WAT A2004 14.439 7.288 29.609 1.00 0.00 H -ATOM 6012 H2 WAT A2004 15.750 7.716 30.232 1.00 0.00 H -ATOM 6013 O1 WAT A2005 28.377 10.827 19.890 1.00 0.00 O -ATOM 6014 H1 WAT A2005 28.859 10.001 19.912 1.00 0.00 H -ATOM 6015 H2 WAT A2005 27.505 10.606 20.215 1.00 0.00 H -ATOM 6016 O1 WAT A2006 8.711 23.054 12.759 1.00 0.00 O -ATOM 6017 H1 WAT A2006 7.812 23.247 12.493 1.00 0.00 H -ATOM 6018 H2 WAT A2006 8.720 22.108 12.901 1.00 0.00 H -ATOM 6019 O1 WAT A2007 6.605 20.178 13.801 1.00 0.00 O -ATOM 6020 H1 WAT A2007 7.548 20.022 13.755 1.00 0.00 H -ATOM 6021 H2 WAT A2007 6.346 19.829 14.654 1.00 0.00 H -ATOM 6022 O1 WAT A2008 29.079 13.693 14.653 1.00 0.00 O -ATOM 6023 H1 WAT A2008 29.289 12.773 14.819 1.00 0.00 H -ATOM 6024 H2 WAT A2008 28.126 13.711 14.570 1.00 0.00 H -ATOM 6025 O1 WAT A2009 7.801 29.129 30.240 1.00 0.00 O -ATOM 6026 H1 WAT A2009 6.882 29.205 29.982 1.00 0.00 H -ATOM 6027 H2 WAT A2009 8.023 28.213 30.073 1.00 0.00 H -ATOM 6028 O1 WAT A2010 12.216 19.182 15.012 1.00 0.00 O -ATOM 6029 H1 WAT A2010 12.618 18.314 14.976 1.00 0.00 H -ATOM 6030 H2 WAT A2010 12.889 19.773 14.674 1.00 0.00 H -ATOM 6031 O1 WAT A2011 8.989 16.507 4.836 1.00 0.00 O -ATOM 6032 H1 WAT A2011 8.697 16.262 5.714 1.00 0.00 H -ATOM 6033 H2 WAT A2011 9.132 15.674 4.388 1.00 0.00 H -ATOM 6034 O1 WAT A2012 17.025 22.397 1.276 1.00 0.00 O -ATOM 6035 H1 WAT A2012 17.430 22.162 2.111 1.00 0.00 H -ATOM 6036 H2 WAT A2012 17.182 23.336 1.188 1.00 0.00 H -ATOM 6037 O1 WAT A2013 9.816 24.990 2.484 1.00 0.00 O -ATOM 6038 H1 WAT A2013 9.858 24.445 3.270 1.00 0.00 H -ATOM 6039 H2 WAT A2013 8.882 25.146 2.349 1.00 0.00 H -ATOM 6040 O1 WAT A2014 32.785 6.104 8.834 1.00 0.00 O -ATOM 6041 H1 WAT A2014 31.892 6.093 8.487 1.00 0.00 H -ATOM 6042 H2 WAT A2014 32.823 6.893 9.374 1.00 0.00 H -ATOM 6043 O1 WAT A2015 27.845 24.237 16.700 1.00 0.00 O -ATOM 6044 H1 WAT A2015 27.301 25.013 16.835 1.00 0.00 H -ATOM 6045 H2 WAT A2015 28.735 24.531 16.892 1.00 0.00 H -ATOM 6046 O1 WAT A2016 1.765 14.041 18.008 1.00 0.00 O -ATOM 6047 H1 WAT A2016 1.456 14.947 18.008 1.00 0.00 H -ATOM 6048 H2 WAT A2016 2.713 14.111 18.116 1.00 0.00 H -ATOM 6049 O1 WAT A2017 27.928 6.125 4.186 1.00 0.00 O -ATOM 6050 H1 WAT A2017 28.226 5.514 4.860 1.00 0.00 H -ATOM 6051 H2 WAT A2017 26.997 6.246 4.365 1.00 0.00 H -ATOM 6052 O1 WAT A2018 25.249 32.612 8.568 1.00 0.00 O -ATOM 6053 H1 WAT A2018 25.917 31.979 8.831 1.00 0.00 H -ATOM 6054 H2 WAT A2018 24.514 32.077 8.271 1.00 0.00 H -ATOM 6055 O1 WAT A2019 10.032 27.324 24.441 1.00 0.00 O -ATOM 6056 H1 WAT A2019 10.193 27.804 23.628 1.00 0.00 H -ATOM 6057 H2 WAT A2019 9.515 26.565 24.174 1.00 0.00 H -ATOM 6058 O1 WAT A2020 29.731 9.129 25.186 1.00 0.00 O -ATOM 6059 H1 WAT A2020 30.479 9.710 25.327 1.00 0.00 H -ATOM 6060 H2 WAT A2020 29.987 8.303 25.597 1.00 0.00 H -ATOM 6061 O1 WAT A2021 14.700 18.932 2.706 1.00 0.00 O -ATOM 6062 H1 WAT A2021 15.050 19.665 3.212 1.00 0.00 H -ATOM 6063 H2 WAT A2021 14.334 18.340 3.362 1.00 0.00 H -ATOM 6064 O1 WAT A2022 3.133 33.672 25.990 1.00 0.00 O -ATOM 6065 H1 WAT A2022 3.861 33.062 25.868 1.00 0.00 H -ATOM 6066 H2 WAT A2022 2.394 33.254 25.549 1.00 0.00 H -ATOM 6067 O1 WAT A2023 12.081 35.772 12.702 1.00 0.00 O -ATOM 6068 H1 WAT A2023 12.993 36.052 12.787 1.00 0.00 H -ATOM 6069 H2 WAT A2023 11.685 36.419 12.120 1.00 0.00 H -ATOM 6070 O1 WAT A2024 2.497 9.317 18.359 1.00 0.00 O -ATOM 6071 H1 WAT A2024 1.623 9.462 17.997 1.00 0.00 H -ATOM 6072 H2 WAT A2024 3.092 9.696 17.713 1.00 0.00 H -ATOM 6073 O1 WAT A2025 0.511 4.008 31.115 1.00 0.00 O -ATOM 6074 H1 WAT A2025 1.421 3.719 31.195 1.00 0.00 H -ATOM 6075 H2 WAT A2025 0.091 3.333 30.583 1.00 0.00 H -ATOM 6076 O1 WAT A2026 16.995 6.365 22.795 1.00 0.00 O -ATOM 6077 H1 WAT A2026 17.665 6.692 23.396 1.00 0.00 H -ATOM 6078 H2 WAT A2026 16.364 7.081 22.727 1.00 0.00 H -ATOM 6079 O1 WAT A2027 30.712 26.578 24.350 1.00 0.00 O -ATOM 6080 H1 WAT A2027 30.241 25.949 24.896 1.00 0.00 H -ATOM 6081 H2 WAT A2027 30.480 27.432 24.713 1.00 0.00 H -ATOM 6082 O1 WAT A2028 18.527 27.105 1.179 1.00 0.00 O -ATOM 6083 H1 WAT A2028 19.008 27.920 1.035 1.00 0.00 H -ATOM 6084 H2 WAT A2028 17.682 27.247 0.752 1.00 0.00 H -ATOM 6085 O1 WAT A2029 11.727 25.366 5.645 1.00 0.00 O -ATOM 6086 H1 WAT A2029 11.710 26.263 5.980 1.00 0.00 H -ATOM 6087 H2 WAT A2029 12.285 24.891 6.259 1.00 0.00 H -ATOM 6088 O1 WAT A2030 0.944 0.770 6.207 1.00 0.00 O -ATOM 6089 H1 WAT A2030 1.432 0.636 7.019 1.00 0.00 H -ATOM 6090 H2 WAT A2030 1.254 1.612 5.876 1.00 0.00 H -ATOM 6091 O1 WAT A2031 38.400 9.813 3.922 1.00 0.00 O -ATOM 6092 H1 WAT A2031 37.854 9.066 3.677 1.00 0.00 H -ATOM 6093 H2 WAT A2031 38.298 10.432 3.200 1.00 0.00 H -ATOM 6094 O1 WAT A2032 17.017 28.575 10.086 1.00 0.00 O -ATOM 6095 H1 WAT A2032 17.226 27.934 10.765 1.00 0.00 H -ATOM 6096 H2 WAT A2032 16.061 28.597 10.062 1.00 0.00 H -ATOM 6097 O1 WAT A2033 35.423 4.772 -0.001 1.00 0.00 O -ATOM 6098 H1 WAT A2033 34.533 5.124 0.030 1.00 0.00 H -ATOM 6099 H2 WAT A2033 35.974 5.485 0.319 1.00 0.00 H -ATOM 6100 O1 WAT A2034 32.073 3.493 19.475 1.00 0.00 O -ATOM 6101 H1 WAT A2034 32.534 4.171 19.969 1.00 0.00 H -ATOM 6102 H2 WAT A2034 31.537 3.977 18.847 1.00 0.00 H -ATOM 6103 O1 WAT A2035 31.762 24.743 19.019 1.00 0.00 O -ATOM 6104 H1 WAT A2035 32.698 24.926 18.928 1.00 0.00 H -ATOM 6105 H2 WAT A2035 31.337 25.372 18.438 1.00 0.00 H -ATOM 6106 O1 WAT A2036 2.996 15.740 22.913 1.00 0.00 O -ATOM 6107 H1 WAT A2036 2.371 16.388 22.589 1.00 0.00 H -ATOM 6108 H2 WAT A2036 2.592 15.392 23.707 1.00 0.00 H -ATOM 6109 O1 WAT A2037 32.484 16.926 21.292 1.00 0.00 O -ATOM 6110 H1 WAT A2037 33.296 16.419 21.325 1.00 0.00 H -ATOM 6111 H2 WAT A2037 32.359 17.119 20.364 1.00 0.00 H -ATOM 6112 O1 WAT A2038 25.143 10.367 6.689 1.00 0.00 O -ATOM 6113 H1 WAT A2038 25.867 9.807 6.969 1.00 0.00 H -ATOM 6114 H2 WAT A2038 25.557 11.051 6.164 1.00 0.00 H -ATOM 6115 O1 WAT A2039 28.798 8.120 37.811 1.00 0.00 O -ATOM 6116 H1 WAT A2039 29.367 8.834 38.098 1.00 0.00 H -ATOM 6117 H2 WAT A2039 28.018 8.556 37.469 1.00 0.00 H -ATOM 6118 O1 WAT A2040 31.657 19.018 11.634 1.00 0.00 O -ATOM 6119 H1 WAT A2040 32.191 18.654 10.928 1.00 0.00 H -ATOM 6120 H2 WAT A2040 31.878 19.948 11.648 1.00 0.00 H -ATOM 6121 O1 WAT A2041 5.472 12.602 7.289 1.00 0.00 O -ATOM 6122 H1 WAT A2041 4.662 12.156 7.040 1.00 0.00 H -ATOM 6123 H2 WAT A2041 6.166 11.985 7.060 1.00 0.00 H -ATOM 6124 O1 WAT A2042 1.509 25.848 5.227 1.00 0.00 O -ATOM 6125 H1 WAT A2042 2.209 26.358 4.819 1.00 0.00 H -ATOM 6126 H2 WAT A2042 0.981 25.535 4.494 1.00 0.00 H -ATOM 6127 O1 WAT A2043 8.381 6.481 19.921 1.00 0.00 O -ATOM 6128 H1 WAT A2043 8.001 7.356 19.996 1.00 0.00 H -ATOM 6129 H2 WAT A2043 9.022 6.435 20.629 1.00 0.00 H -ATOM 6130 O1 WAT A2044 9.862 30.551 23.493 1.00 0.00 O -ATOM 6131 H1 WAT A2044 9.715 29.906 24.185 1.00 0.00 H -ATOM 6132 H2 WAT A2044 10.409 31.222 23.901 1.00 0.00 H -ATOM 6133 O1 WAT A2045 0.535 9.942 14.283 1.00 0.00 O -ATOM 6134 H1 WAT A2045 0.016 9.470 14.935 1.00 0.00 H -ATOM 6135 H2 WAT A2045 0.788 10.755 14.719 1.00 0.00 H -ATOM 6136 O1 WAT A2046 16.122 20.032 21.862 1.00 0.00 O -ATOM 6137 H1 WAT A2046 16.832 20.181 21.238 1.00 0.00 H -ATOM 6138 H2 WAT A2046 15.451 20.669 21.620 1.00 0.00 H -ATOM 6139 O1 WAT A2047 0.718 5.892 29.566 1.00 0.00 O -ATOM 6140 H1 WAT A2047 0.831 6.733 29.122 1.00 0.00 H -ATOM 6141 H2 WAT A2047 0.745 6.107 30.498 1.00 0.00 H -ATOM 6142 O1 WAT A2048 21.616 26.378 17.838 1.00 0.00 O -ATOM 6143 H1 WAT A2048 21.345 25.537 18.207 1.00 0.00 H -ATOM 6144 H2 WAT A2048 20.817 26.742 17.456 1.00 0.00 H -ATOM 6145 O1 WAT A2049 14.700 2.463 37.953 1.00 0.00 O -ATOM 6146 H1 WAT A2049 15.135 2.522 37.103 1.00 0.00 H -ATOM 6147 H2 WAT A2049 14.986 1.624 38.312 1.00 0.00 H -ATOM 6148 O1 WAT A2050 6.906 31.273 23.512 1.00 0.00 O -ATOM 6149 H1 WAT A2050 6.831 30.649 22.791 1.00 0.00 H -ATOM 6150 H2 WAT A2050 6.774 30.747 24.300 1.00 0.00 H -ATOM 6151 O1 WAT A2051 32.109 16.784 12.090 1.00 0.00 O -ATOM 6152 H1 WAT A2051 31.165 16.934 12.143 1.00 0.00 H -ATOM 6153 H2 WAT A2051 32.200 15.833 12.045 1.00 0.00 H -ATOM 6154 O1 WAT A2052 4.649 20.511 25.504 1.00 0.00 O -ATOM 6155 H1 WAT A2052 5.105 21.350 25.432 1.00 0.00 H -ATOM 6156 H2 WAT A2052 4.641 20.165 24.612 1.00 0.00 H -ATOM 6157 O1 WAT A2053 25.772 5.688 13.375 1.00 0.00 O -ATOM 6158 H1 WAT A2053 25.763 4.884 13.894 1.00 0.00 H -ATOM 6159 H2 WAT A2053 25.156 6.269 13.822 1.00 0.00 H -ATOM 6160 O1 WAT A2054 6.182 30.034 2.169 1.00 0.00 O -ATOM 6161 H1 WAT A2054 6.019 29.853 3.095 1.00 0.00 H -ATOM 6162 H2 WAT A2054 6.593 30.898 2.162 1.00 0.00 H -ATOM 6163 O1 WAT A2055 1.189 38.401 1.734 1.00 0.00 O -ATOM 6164 H1 WAT A2055 2.145 38.360 1.725 1.00 0.00 H -ATOM 6165 H2 WAT A2055 0.915 37.551 2.076 1.00 0.00 H -ATOM 6166 O1 WAT A2056 31.772 3.834 5.740 1.00 0.00 O -ATOM 6167 H1 WAT A2056 31.031 3.231 5.791 1.00 0.00 H -ATOM 6168 H2 WAT A2056 32.384 3.520 6.404 1.00 0.00 H -ATOM 6169 O1 WAT A2057 9.338 30.482 8.969 1.00 0.00 O -ATOM 6170 H1 WAT A2057 9.769 30.361 8.123 1.00 0.00 H -ATOM 6171 H2 WAT A2057 8.770 31.241 8.843 1.00 0.00 H -ATOM 6172 O1 WAT A2058 7.890 22.830 34.070 1.00 0.00 O -ATOM 6173 H1 WAT A2058 7.145 22.538 34.597 1.00 0.00 H -ATOM 6174 H2 WAT A2058 7.856 22.287 33.284 1.00 0.00 H -ATOM 6175 O1 WAT A2059 9.869 17.324 37.691 1.00 0.00 O -ATOM 6176 H1 WAT A2059 10.801 17.278 37.476 1.00 0.00 H -ATOM 6177 H2 WAT A2059 9.753 16.689 38.397 1.00 0.00 H -ATOM 6178 O1 WAT A2060 6.034 2.208 36.834 1.00 0.00 O -ATOM 6179 H1 WAT A2060 5.598 2.818 36.239 1.00 0.00 H -ATOM 6180 H2 WAT A2060 5.430 2.116 37.569 1.00 0.00 H -ATOM 6181 O1 WAT A2061 26.641 17.143 25.274 1.00 0.00 O -ATOM 6182 H1 WAT A2061 27.014 17.455 26.099 1.00 0.00 H -ATOM 6183 H2 WAT A2061 26.148 17.890 24.936 1.00 0.00 H -ATOM 6184 O1 WAT A2062 1.158 19.269 15.536 1.00 0.00 O -ATOM 6185 H1 WAT A2062 0.229 19.499 15.553 1.00 0.00 H -ATOM 6186 H2 WAT A2062 1.175 18.357 15.247 1.00 0.00 H -ATOM 6187 O1 WAT A2063 13.282 36.024 22.904 1.00 0.00 O -ATOM 6188 H1 WAT A2063 13.319 36.791 22.334 1.00 0.00 H -ATOM 6189 H2 WAT A2063 13.852 36.244 23.641 1.00 0.00 H -ATOM 6190 O1 WAT A2064 29.211 10.673 2.595 1.00 0.00 O -ATOM 6191 H1 WAT A2064 28.279 10.565 2.788 1.00 0.00 H -ATOM 6192 H2 WAT A2064 29.580 11.048 3.394 1.00 0.00 H -ATOM 6193 O1 WAT A2065 9.950 4.058 9.838 1.00 0.00 O -ATOM 6194 H1 WAT A2065 10.599 4.607 9.397 1.00 0.00 H -ATOM 6195 H2 WAT A2065 10.329 3.180 9.824 1.00 0.00 H -ATOM 6196 O1 WAT A2066 25.474 34.967 20.738 1.00 0.00 O -ATOM 6197 H1 WAT A2066 25.943 35.565 20.156 1.00 0.00 H -ATOM 6198 H2 WAT A2066 24.836 35.520 21.188 1.00 0.00 H -ATOM 6199 O1 WAT A2067 36.883 15.593 1.215 1.00 0.00 O -ATOM 6200 H1 WAT A2067 37.001 14.645 1.283 1.00 0.00 H -ATOM 6201 H2 WAT A2067 36.808 15.759 0.276 1.00 0.00 H -ATOM 6202 O1 WAT A2068 9.631 34.370 36.234 1.00 0.00 O -ATOM 6203 H1 WAT A2068 9.676 34.637 35.316 1.00 0.00 H -ATOM 6204 H2 WAT A2068 8.696 34.278 36.413 1.00 0.00 H -ATOM 6205 O1 WAT A2069 7.016 14.075 33.689 1.00 0.00 O -ATOM 6206 H1 WAT A2069 7.750 14.593 33.357 1.00 0.00 H -ATOM 6207 H2 WAT A2069 6.242 14.603 33.497 1.00 0.00 H -ATOM 6208 O1 WAT A2070 18.555 5.946 10.304 1.00 0.00 O -ATOM 6209 H1 WAT A2070 19.481 6.165 10.199 1.00 0.00 H -ATOM 6210 H2 WAT A2070 18.142 6.256 9.499 1.00 0.00 H -ATOM 6211 O1 WAT A2071 12.418 9.089 36.232 1.00 0.00 O -ATOM 6212 H1 WAT A2071 11.790 8.386 36.401 1.00 0.00 H -ATOM 6213 H2 WAT A2071 11.896 9.786 35.836 1.00 0.00 H -ATOM 6214 O1 WAT A2072 37.893 30.749 9.160 1.00 0.00 O -ATOM 6215 H1 WAT A2072 37.840 31.469 8.532 1.00 0.00 H -ATOM 6216 H2 WAT A2072 38.162 29.994 8.638 1.00 0.00 H -ATOM 6217 O1 WAT A2073 21.534 32.298 30.131 1.00 0.00 O -ATOM 6218 H1 WAT A2073 20.858 31.769 29.708 1.00 0.00 H -ATOM 6219 H2 WAT A2073 22.356 31.982 29.757 1.00 0.00 H -ATOM 6220 O1 WAT A2074 35.099 28.204 19.763 1.00 0.00 O -ATOM 6221 H1 WAT A2074 35.567 27.369 19.781 1.00 0.00 H -ATOM 6222 H2 WAT A2074 34.430 28.091 19.089 1.00 0.00 H -ATOM 6223 O1 WAT A2075 3.701 26.845 21.927 1.00 0.00 O -ATOM 6224 H1 WAT A2075 4.030 26.368 21.165 1.00 0.00 H -ATOM 6225 H2 WAT A2075 2.756 26.899 21.788 1.00 0.00 H -ATOM 6226 O1 WAT A2076 34.209 10.403 0.782 1.00 0.00 O -ATOM 6227 H1 WAT A2076 33.354 10.228 0.389 1.00 0.00 H -ATOM 6228 H2 WAT A2076 34.609 9.539 0.882 1.00 0.00 H -ATOM 6229 O1 WAT A2077 37.859 19.904 27.870 1.00 0.00 O -ATOM 6230 H1 WAT A2077 37.260 19.218 28.165 1.00 0.00 H -ATOM 6231 H2 WAT A2077 38.142 20.339 28.673 1.00 0.00 H -ATOM 6232 O1 WAT A2078 1.591 5.803 38.400 1.00 0.00 O -ATOM 6233 H1 WAT A2078 1.781 5.104 37.774 1.00 0.00 H -ATOM 6234 H2 WAT A2078 1.360 6.556 37.857 1.00 0.00 H -ATOM 6235 O1 WAT A2079 18.238 20.822 15.739 1.00 0.00 O -ATOM 6236 H1 WAT A2079 19.121 20.457 15.795 1.00 0.00 H -ATOM 6237 H2 WAT A2079 17.776 20.451 16.491 1.00 0.00 H -ATOM 6238 O1 WAT A2080 14.104 24.074 4.553 1.00 0.00 O -ATOM 6239 H1 WAT A2080 14.787 24.632 4.182 1.00 0.00 H -ATOM 6240 H2 WAT A2080 14.218 24.152 5.500 1.00 0.00 H -ATOM 6241 O1 WAT A2081 22.954 9.499 17.556 1.00 0.00 O -ATOM 6242 H1 WAT A2081 23.112 9.117 18.419 1.00 0.00 H -ATOM 6243 H2 WAT A2081 23.490 8.976 16.960 1.00 0.00 H -ATOM 6244 O1 WAT A2082 10.992 19.694 25.745 1.00 0.00 O -ATOM 6245 H1 WAT A2082 11.411 18.837 25.826 1.00 0.00 H -ATOM 6246 H2 WAT A2082 11.678 20.265 25.400 1.00 0.00 H -ATOM 6247 O1 WAT A2083 30.083 32.480 23.884 1.00 0.00 O -ATOM 6248 H1 WAT A2083 29.227 32.210 24.217 1.00 0.00 H -ATOM 6249 H2 WAT A2083 29.885 33.004 23.108 1.00 0.00 H -ATOM 6250 O1 WAT A2084 20.640 36.311 10.856 1.00 0.00 O -ATOM 6251 H1 WAT A2084 21.262 35.721 10.431 1.00 0.00 H -ATOM 6252 H2 WAT A2084 20.952 37.188 10.637 1.00 0.00 H -ATOM 6253 O1 WAT A2085 4.971 37.747 30.734 1.00 0.00 O -ATOM 6254 H1 WAT A2085 5.553 37.544 31.467 1.00 0.00 H -ATOM 6255 H2 WAT A2085 5.447 38.400 30.222 1.00 0.00 H -ATOM 6256 O1 WAT A2086 1.117 7.565 33.120 1.00 0.00 O -ATOM 6257 H1 WAT A2086 0.775 6.693 32.921 1.00 0.00 H -ATOM 6258 H2 WAT A2086 0.441 8.165 32.806 1.00 0.00 H -ATOM 6259 O1 WAT A2087 23.223 26.177 38.182 1.00 0.00 O -ATOM 6260 H1 WAT A2087 22.501 26.604 37.719 1.00 0.00 H -ATOM 6261 H2 WAT A2087 22.890 25.306 38.395 1.00 0.00 H -ATOM 6262 O1 WAT A2088 31.085 37.959 26.068 1.00 0.00 O -ATOM 6263 H1 WAT A2088 31.381 38.118 26.964 1.00 0.00 H -ATOM 6264 H2 WAT A2088 31.741 38.387 25.518 1.00 0.00 H -ATOM 6265 O1 WAT A2089 27.482 6.428 36.952 1.00 0.00 O -ATOM 6266 H1 WAT A2089 27.873 5.571 36.780 1.00 0.00 H -ATOM 6267 H2 WAT A2089 26.650 6.231 37.380 1.00 0.00 H -ATOM 6268 O1 WAT A2090 35.723 7.294 35.978 1.00 0.00 O -ATOM 6269 H1 WAT A2090 36.248 7.932 35.495 1.00 0.00 H -ATOM 6270 H2 WAT A2090 36.285 7.017 36.701 1.00 0.00 H -ATOM 6271 O1 WAT A2091 14.268 16.884 10.905 1.00 0.00 O -ATOM 6272 H1 WAT A2091 13.916 16.677 11.771 1.00 0.00 H -ATOM 6273 H2 WAT A2091 15.137 17.245 11.079 1.00 0.00 H -ATOM 6274 O1 WAT A2092 23.571 24.454 30.983 1.00 0.00 O -ATOM 6275 H1 WAT A2092 23.819 23.530 30.952 1.00 0.00 H -ATOM 6276 H2 WAT A2092 24.253 24.868 31.511 1.00 0.00 H -ATOM 6277 O1 WAT A2093 27.193 19.812 7.790 1.00 0.00 O -ATOM 6278 H1 WAT A2093 26.271 19.558 7.739 1.00 0.00 H -ATOM 6279 H2 WAT A2093 27.334 20.359 7.018 1.00 0.00 H -ATOM 6280 O1 WAT A2094 26.205 37.535 21.237 1.00 0.00 O -ATOM 6281 H1 WAT A2094 26.695 36.888 21.745 1.00 0.00 H -ATOM 6282 H2 WAT A2094 26.258 38.337 21.756 1.00 0.00 H -END +CRYST1 40.400 40.400 40.400 90.00 90.00 90.00 P 1 +ATOM 1 O1 TIP3A 1 33.613 28.237 24.361 1.00 0.00 O +ATOM 2 H1 TIP3A 1 32.996 27.506 24.341 1.00 0.00 H +ATOM 3 H2 TIP3A 1 33.174 28.935 23.873 1.00 0.00 H +ATOM 4 O1 TIP3A 2 3.320 36.925 32.032 1.00 0.00 O +ATOM 5 H1 TIP3A 2 3.530 36.228 31.411 1.00 0.00 H +ATOM 6 H2 TIP3A 2 2.523 37.324 31.683 1.00 0.00 H +ATOM 7 O1 TIP3A 3 5.839 7.192 30.747 1.00 0.00 O +ATOM 8 H1 TIP3A 3 6.616 7.262 31.301 1.00 0.00 H +ATOM 9 H2 TIP3A 3 5.182 7.733 31.186 1.00 0.00 H +ATOM 10 O1 TIP3A 4 31.676 22.051 30.539 1.00 0.00 O +ATOM 11 H1 TIP3A 4 30.931 22.644 30.625 1.00 0.00 H +ATOM 12 H2 TIP3A 4 31.502 21.353 31.171 1.00 0.00 H +ATOM 13 O1 TIP3A 5 16.096 34.546 2.991 1.00 0.00 O +ATOM 14 H1 TIP3A 5 16.899 34.896 3.375 1.00 0.00 H +ATOM 15 H2 TIP3A 5 15.886 33.782 3.529 1.00 0.00 H +ATOM 16 O1 TIP3A 6 4.330 37.538 36.654 1.00 0.00 O +ATOM 17 H1 TIP3A 6 4.910 38.264 36.880 1.00 0.00 H +ATOM 18 H2 TIP3A 6 3.608 37.603 37.280 1.00 0.00 H +ATOM 19 O1 TIP3A 7 17.104 5.068 3.190 1.00 0.00 O +ATOM 20 H1 TIP3A 7 17.522 5.451 2.419 1.00 0.00 H +ATOM 21 H2 TIP3A 7 16.696 4.264 2.867 1.00 0.00 H +ATOM 22 O1 TIP3A 8 27.499 35.102 24.769 1.00 0.00 O +ATOM 23 H1 TIP3A 8 28.020 35.456 24.049 1.00 0.00 H +ATOM 24 H2 TIP3A 8 27.880 34.239 24.939 1.00 0.00 H +ATOM 25 O1 TIP3A 9 12.056 0.948 11.447 1.00 0.00 O +ATOM 26 H1 TIP3A 9 11.315 1.551 11.487 1.00 0.00 H +ATOM 27 H2 TIP3A 9 11.828 0.247 12.058 1.00 0.00 H +ATOM 28 O1 TIP3A 10 10.622 7.524 6.232 1.00 0.00 O +ATOM 29 H1 TIP3A 10 9.795 7.789 5.831 1.00 0.00 H +ATOM 30 H2 TIP3A 10 11.178 8.301 6.172 1.00 0.00 H +ATOM 31 O1 TIP3A 11 17.852 11.579 2.393 1.00 0.00 O +ATOM 32 H1 TIP3A 11 18.460 12.311 2.495 1.00 0.00 H +ATOM 33 H2 TIP3A 11 18.410 10.832 2.173 1.00 0.00 H +ATOM 34 O1 TIP3A 12 17.785 6.880 30.181 1.00 0.00 O +ATOM 35 H1 TIP3A 12 18.708 6.684 30.339 1.00 0.00 H +ATOM 36 H2 TIP3A 12 17.634 6.612 29.274 1.00 0.00 H +ATOM 37 O1 TIP3A 13 1.094 22.970 30.665 1.00 0.00 O +ATOM 38 H1 TIP3A 13 1.259 23.076 31.601 1.00 0.00 H +ATOM 39 H2 TIP3A 13 1.580 23.684 30.253 1.00 0.00 H +ATOM 40 O1 TIP3A 14 5.597 23.349 21.655 1.00 0.00 O +ATOM 41 H1 TIP3A 14 6.412 23.046 22.052 1.00 0.00 H +ATOM 42 H2 TIP3A 14 5.055 23.622 22.396 1.00 0.00 H +ATOM 43 O1 TIP3A 15 13.861 15.868 37.569 1.00 0.00 O +ATOM 44 H1 TIP3A 15 13.160 15.324 37.212 1.00 0.00 H +ATOM 45 H2 TIP3A 15 13.494 16.753 37.584 1.00 0.00 H +ATOM 46 O1 TIP3A 16 19.003 3.856 29.264 1.00 0.00 O +ATOM 47 H1 TIP3A 16 19.291 3.700 30.163 1.00 0.00 H +ATOM 48 H2 TIP3A 16 18.887 4.805 29.210 1.00 0.00 H +ATOM 49 O1 TIP3A 17 19.988 2.448 38.272 1.00 0.00 O +ATOM 50 H1 TIP3A 17 19.059 2.256 38.398 1.00 0.00 H +ATOM 51 H2 TIP3A 17 20.148 2.261 37.346 1.00 0.00 H +ATOM 52 O1 TIP3A 18 21.303 29.040 19.343 1.00 0.00 O +ATOM 53 H1 TIP3A 18 21.940 29.752 19.287 1.00 0.00 H +ATOM 54 H2 TIP3A 18 21.586 28.412 18.677 1.00 0.00 H +ATOM 55 O1 TIP3A 19 21.806 2.828 11.184 1.00 0.00 O +ATOM 56 H1 TIP3A 19 22.514 3.346 11.565 1.00 0.00 H +ATOM 57 H2 TIP3A 19 21.784 3.091 10.263 1.00 0.00 H +ATOM 58 O1 TIP3A 20 3.325 17.460 27.653 1.00 0.00 O +ATOM 59 H1 TIP3A 20 3.131 16.579 27.971 1.00 0.00 H +ATOM 60 H2 TIP3A 20 2.680 17.613 26.962 1.00 0.00 H +ATOM 61 O1 TIP3A 21 35.560 20.180 19.600 1.00 0.00 O +ATOM 62 H1 TIP3A 21 36.267 19.901 20.182 1.00 0.00 H +ATOM 63 H2 TIP3A 21 35.187 19.363 19.267 1.00 0.00 H +ATOM 64 O1 TIP3A 22 33.872 21.154 13.643 1.00 0.00 O +ATOM 65 H1 TIP3A 22 34.819 21.017 13.619 1.00 0.00 H +ATOM 66 H2 TIP3A 22 33.519 20.501 13.038 1.00 0.00 H +ATOM 67 O1 TIP3A 23 35.237 12.498 0.278 1.00 0.00 O +ATOM 68 H1 TIP3A 23 35.476 13.424 0.270 1.00 0.00 H +ATOM 69 H2 TIP3A 23 34.297 12.491 0.097 1.00 0.00 H +ATOM 70 O1 TIP3A 24 0.001 23.307 18.064 1.00 0.00 O +ATOM 71 H1 TIP3A 24 0.148 22.367 17.967 1.00 0.00 H +ATOM 72 H2 TIP3A 24 0.533 23.557 18.820 1.00 0.00 H +ATOM 73 O1 TIP3A 25 37.752 15.100 31.344 1.00 0.00 O +ATOM 74 H1 TIP3A 25 38.400 15.794 31.460 1.00 0.00 H +ATOM 75 H2 TIP3A 25 36.908 15.553 31.371 1.00 0.00 H +ATOM 76 O1 TIP3A 26 34.734 13.703 13.570 1.00 0.00 O +ATOM 77 H1 TIP3A 26 34.027 14.247 13.916 1.00 0.00 H +ATOM 78 H2 TIP3A 26 34.345 13.251 12.821 1.00 0.00 H +ATOM 79 O1 TIP3A 27 24.121 1.327 24.723 1.00 0.00 O +ATOM 80 H1 TIP3A 27 23.728 1.843 24.020 1.00 0.00 H +ATOM 81 H2 TIP3A 27 24.014 0.418 24.442 1.00 0.00 H +ATOM 82 O1 TIP3A 28 31.669 24.552 14.896 1.00 0.00 O +ATOM 83 H1 TIP3A 28 31.580 25.364 15.393 1.00 0.00 H +ATOM 84 H2 TIP3A 28 32.396 24.091 15.316 1.00 0.00 H +ATOM 85 O1 TIP3A 29 10.572 34.946 28.465 1.00 0.00 O +ATOM 86 H1 TIP3A 29 9.772 34.944 27.941 1.00 0.00 H +ATOM 87 H2 TIP3A 29 10.532 34.132 28.968 1.00 0.00 H +ATOM 88 O1 TIP3A 30 8.352 19.073 25.782 1.00 0.00 O +ATOM 89 H1 TIP3A 30 8.058 18.226 25.448 1.00 0.00 H +ATOM 90 H2 TIP3A 30 7.803 19.714 25.329 1.00 0.00 H +ATOM 91 O1 TIP3A 31 3.722 4.674 2.758 1.00 0.00 O +ATOM 92 H1 TIP3A 31 3.224 5.491 2.754 1.00 0.00 H +ATOM 93 H2 TIP3A 31 4.347 4.770 2.039 1.00 0.00 H +ATOM 94 O1 TIP3A 32 2.054 1.626 25.001 1.00 0.00 O +ATOM 95 H1 TIP3A 32 2.937 1.898 24.752 1.00 0.00 H +ATOM 96 H2 TIP3A 32 2.186 1.037 25.745 1.00 0.00 H +ATOM 97 O1 TIP3A 33 38.400 16.947 20.240 1.00 0.00 O +ATOM 98 H1 TIP3A 33 38.385 17.773 19.759 1.00 0.00 H +ATOM 99 H2 TIP3A 33 38.332 17.203 21.160 1.00 0.00 H +ATOM 100 O1 TIP3A 34 26.325 18.568 17.306 1.00 0.00 O +ATOM 101 H1 TIP3A 34 26.935 18.378 16.594 1.00 0.00 H +ATOM 102 H2 TIP3A 34 26.830 19.104 17.918 1.00 0.00 H +ATOM 103 O1 TIP3A 35 15.728 21.128 29.723 1.00 0.00 O +ATOM 104 H1 TIP3A 35 16.502 21.686 29.786 1.00 0.00 H +ATOM 105 H2 TIP3A 35 15.115 21.495 30.361 1.00 0.00 H +ATOM 106 O1 TIP3A 36 6.545 33.330 34.246 1.00 0.00 O +ATOM 107 H1 TIP3A 36 6.410 32.384 34.262 1.00 0.00 H +ATOM 108 H2 TIP3A 36 7.239 33.485 34.888 1.00 0.00 H +ATOM 109 O1 TIP3A 37 28.886 10.280 16.355 1.00 0.00 O +ATOM 110 H1 TIP3A 37 29.818 10.454 16.225 1.00 0.00 H +ATOM 111 H2 TIP3A 37 28.444 11.015 15.930 1.00 0.00 H +ATOM 112 O1 TIP3A 38 3.800 19.486 31.941 1.00 0.00 O +ATOM 113 H1 TIP3A 38 4.052 19.936 32.747 1.00 0.00 H +ATOM 114 H2 TIP3A 38 3.274 18.742 32.235 1.00 0.00 H +ATOM 115 O1 TIP3A 39 18.353 3.384 32.353 1.00 0.00 O +ATOM 116 H1 TIP3A 39 17.596 2.805 32.443 1.00 0.00 H +ATOM 117 H2 TIP3A 39 18.925 3.147 33.084 1.00 0.00 H +ATOM 118 O1 TIP3A 40 27.793 19.592 4.090 1.00 0.00 O +ATOM 119 H1 TIP3A 40 28.396 20.089 4.642 1.00 0.00 H +ATOM 120 H2 TIP3A 40 27.957 18.676 4.320 1.00 0.00 H +ATOM 121 O1 TIP3A 41 17.755 19.622 34.741 1.00 0.00 O +ATOM 122 H1 TIP3A 41 16.982 19.469 34.198 1.00 0.00 H +ATOM 123 H2 TIP3A 41 18.180 20.383 34.344 1.00 0.00 H +ATOM 124 O1 TIP3A 42 35.678 0.214 30.881 1.00 0.00 O +ATOM 125 H1 TIP3A 42 36.572 0.001 31.144 1.00 0.00 H +ATOM 126 H2 TIP3A 42 35.645 0.001 29.947 1.00 0.00 H +ATOM 127 O1 TIP3A 43 8.371 27.475 17.411 1.00 0.00 O +ATOM 128 H1 TIP3A 43 7.607 27.994 17.162 1.00 0.00 H +ATOM 129 H2 TIP3A 43 8.298 27.381 18.361 1.00 0.00 H +ATOM 130 O1 TIP3A 44 33.459 14.676 24.879 1.00 0.00 O +ATOM 131 H1 TIP3A 44 32.926 14.843 25.655 1.00 0.00 H +ATOM 132 H2 TIP3A 44 32.824 14.554 24.173 1.00 0.00 H +ATOM 133 O1 TIP3A 45 30.483 11.490 18.315 1.00 0.00 O +ATOM 134 H1 TIP3A 45 29.653 11.951 18.429 1.00 0.00 H +ATOM 135 H2 TIP3A 45 30.637 11.060 19.157 1.00 0.00 H +ATOM 136 O1 TIP3A 46 37.430 29.778 36.619 1.00 0.00 O +ATOM 137 H1 TIP3A 46 36.568 29.367 36.676 1.00 0.00 H +ATOM 138 H2 TIP3A 46 37.335 30.441 35.935 1.00 0.00 H +ATOM 139 O1 TIP3A 47 14.535 30.982 30.974 1.00 0.00 O +ATOM 140 H1 TIP3A 47 13.996 31.252 30.232 1.00 0.00 H +ATOM 141 H2 TIP3A 47 14.431 30.031 31.015 1.00 0.00 H +ATOM 142 O1 TIP3A 48 9.470 13.107 2.841 1.00 0.00 O +ATOM 143 H1 TIP3A 48 9.660 13.601 2.044 1.00 0.00 H +ATOM 144 H2 TIP3A 48 9.349 12.205 2.541 1.00 0.00 H +ATOM 145 O1 TIP3A 49 34.394 9.732 16.583 1.00 0.00 O +ATOM 146 H1 TIP3A 49 34.800 8.872 16.682 1.00 0.00 H +ATOM 147 H2 TIP3A 49 34.257 10.038 17.480 1.00 0.00 H +ATOM 148 O1 TIP3A 50 12.818 38.099 17.484 1.00 0.00 O +ATOM 149 H1 TIP3A 50 12.504 38.400 18.336 1.00 0.00 H +ATOM 150 H2 TIP3A 50 12.598 37.167 17.463 1.00 0.00 H +ATOM 151 O1 TIP3A 51 10.796 0.328 37.875 1.00 0.00 O +ATOM 152 H1 TIP3A 51 11.397 0.362 37.132 1.00 0.00 H +ATOM 153 H2 TIP3A 51 11.019 1.097 38.400 1.00 0.00 H +ATOM 154 O1 TIP3A 52 6.512 10.471 16.977 1.00 0.00 O +ATOM 155 H1 TIP3A 52 6.518 9.654 17.475 1.00 0.00 H +ATOM 156 H2 TIP3A 52 7.124 11.041 17.444 1.00 0.00 H +ATOM 157 O1 TIP3A 53 19.800 17.332 34.259 1.00 0.00 O +ATOM 158 H1 TIP3A 53 20.220 17.949 34.857 1.00 0.00 H +ATOM 159 H2 TIP3A 53 20.068 17.624 33.387 1.00 0.00 H +ATOM 160 O1 TIP3A 54 0.135 28.539 31.493 1.00 0.00 O +ATOM 161 H1 TIP3A 54 1.078 28.497 31.650 1.00 0.00 H +ATOM 162 H2 TIP3A 54 0.001 29.384 31.062 1.00 0.00 H +ATOM 163 O1 TIP3A 55 25.887 30.002 5.896 1.00 0.00 O +ATOM 164 H1 TIP3A 55 25.057 29.863 5.441 1.00 0.00 H +ATOM 165 H2 TIP3A 55 25.648 30.056 6.821 1.00 0.00 H +ATOM 166 O1 TIP3A 56 15.433 35.396 16.828 1.00 0.00 O +ATOM 167 H1 TIP3A 56 16.157 36.007 16.967 1.00 0.00 H +ATOM 168 H2 TIP3A 56 15.836 34.529 16.885 1.00 0.00 H +ATOM 169 O1 TIP3A 57 33.828 29.929 38.304 1.00 0.00 O +ATOM 170 H1 TIP3A 57 33.257 30.675 38.122 1.00 0.00 H +ATOM 171 H2 TIP3A 57 34.550 30.022 37.681 1.00 0.00 H +ATOM 172 O1 TIP3A 58 23.684 22.512 10.261 1.00 0.00 O +ATOM 173 H1 TIP3A 58 23.889 21.647 10.612 1.00 0.00 H +ATOM 174 H2 TIP3A 58 24.438 23.053 10.498 1.00 0.00 H +ATOM 175 O1 TIP3A 59 35.495 23.125 31.661 1.00 0.00 O +ATOM 176 H1 TIP3A 59 36.423 23.244 31.461 1.00 0.00 H +ATOM 177 H2 TIP3A 59 35.485 22.520 32.404 1.00 0.00 H +ATOM 178 O1 TIP3A 60 25.569 34.365 30.678 1.00 0.00 O +ATOM 179 H1 TIP3A 60 24.841 34.582 31.258 1.00 0.00 H +ATOM 180 H2 TIP3A 60 26.031 35.194 30.551 1.00 0.00 H +ATOM 181 O1 TIP3A 61 8.296 28.690 3.198 1.00 0.00 O +ATOM 182 H1 TIP3A 61 9.138 28.235 3.193 1.00 0.00 H +ATOM 183 H2 TIP3A 61 7.734 28.160 2.632 1.00 0.00 H +ATOM 184 O1 TIP3A 62 14.891 20.606 27.612 1.00 0.00 O +ATOM 185 H1 TIP3A 62 14.212 20.064 28.012 1.00 0.00 H +ATOM 186 H2 TIP3A 62 14.498 21.477 27.551 1.00 0.00 H +ATOM 187 O1 TIP3A 63 34.689 27.735 35.247 1.00 0.00 O +ATOM 188 H1 TIP3A 63 34.053 27.046 35.055 1.00 0.00 H +ATOM 189 H2 TIP3A 63 34.247 28.547 34.996 1.00 0.00 H +ATOM 190 O1 TIP3A 64 37.078 30.772 3.426 1.00 0.00 O +ATOM 191 H1 TIP3A 64 36.694 30.868 2.556 1.00 0.00 H +ATOM 192 H2 TIP3A 64 37.287 31.667 3.696 1.00 0.00 H +ATOM 193 O1 TIP3A 65 9.944 37.279 32.216 1.00 0.00 O +ATOM 194 H1 TIP3A 65 10.374 36.795 32.920 1.00 0.00 H +ATOM 195 H2 TIP3A 65 10.641 37.809 31.828 1.00 0.00 H +ATOM 196 O1 TIP3A 66 27.135 15.638 33.697 1.00 0.00 O +ATOM 197 H1 TIP3A 66 27.455 14.776 33.432 1.00 0.00 H +ATOM 198 H2 TIP3A 66 27.547 15.797 34.546 1.00 0.00 H +ATOM 199 O1 TIP3A 67 14.958 8.072 35.765 1.00 0.00 O +ATOM 200 H1 TIP3A 67 14.628 7.518 35.058 1.00 0.00 H +ATOM 201 H2 TIP3A 67 15.798 7.680 36.005 1.00 0.00 H +ATOM 202 O1 TIP3A 68 0.631 6.168 12.043 1.00 0.00 O +ATOM 203 H1 TIP3A 68 1.460 6.271 12.508 1.00 0.00 H +ATOM 204 H2 TIP3A 68 0.883 6.055 11.126 1.00 0.00 H +ATOM 205 O1 TIP3A 69 9.446 0.535 12.041 1.00 0.00 O +ATOM 206 H1 TIP3A 69 8.676 0.004 12.243 1.00 0.00 H +ATOM 207 H2 TIP3A 69 9.847 0.712 12.892 1.00 0.00 H +ATOM 208 O1 TIP3A 70 11.329 11.461 13.510 1.00 0.00 O +ATOM 209 H1 TIP3A 70 11.438 10.572 13.175 1.00 0.00 H +ATOM 210 H2 TIP3A 70 11.253 11.353 14.458 1.00 0.00 H +ATOM 211 O1 TIP3A 71 33.514 36.474 7.412 1.00 0.00 O +ATOM 212 H1 TIP3A 71 33.432 35.813 8.098 1.00 0.00 H +ATOM 213 H2 TIP3A 71 33.614 37.300 7.886 1.00 0.00 H +ATOM 214 O1 TIP3A 72 34.125 15.046 28.649 1.00 0.00 O +ATOM 215 H1 TIP3A 72 34.035 14.592 27.812 1.00 0.00 H +ATOM 216 H2 TIP3A 72 33.313 14.851 29.117 1.00 0.00 H +ATOM 217 O1 TIP3A 73 23.670 13.174 16.513 1.00 0.00 O +ATOM 218 H1 TIP3A 73 23.785 12.604 17.273 1.00 0.00 H +ATOM 219 H2 TIP3A 73 24.545 13.238 16.128 1.00 0.00 H +ATOM 220 O1 TIP3A 74 27.566 11.369 13.323 1.00 0.00 O +ATOM 221 H1 TIP3A 74 26.997 12.074 13.629 1.00 0.00 H +ATOM 222 H2 TIP3A 74 28.215 11.806 12.771 1.00 0.00 H +ATOM 223 O1 TIP3A 75 11.774 13.792 23.684 1.00 0.00 O +ATOM 224 H1 TIP3A 75 11.861 12.957 24.143 1.00 0.00 H +ATOM 225 H2 TIP3A 75 12.525 14.308 23.981 1.00 0.00 H +ATOM 226 O1 TIP3A 76 29.022 32.975 3.464 1.00 0.00 O +ATOM 227 H1 TIP3A 76 29.157 32.428 4.238 1.00 0.00 H +ATOM 228 H2 TIP3A 76 28.478 32.440 2.884 1.00 0.00 H +ATOM 229 O1 TIP3A 77 7.808 23.177 18.207 1.00 0.00 O +ATOM 230 H1 TIP3A 77 7.268 23.235 17.419 1.00 0.00 H +ATOM 231 H2 TIP3A 77 8.354 22.403 18.067 1.00 0.00 H +ATOM 232 O1 TIP3A 78 12.480 14.416 5.389 1.00 0.00 O +ATOM 233 H1 TIP3A 78 12.796 14.108 6.238 1.00 0.00 H +ATOM 234 H2 TIP3A 78 13.086 14.033 4.754 1.00 0.00 H +ATOM 235 O1 TIP3A 79 18.479 13.606 22.410 1.00 0.00 O +ATOM 236 H1 TIP3A 79 18.801 12.715 22.535 1.00 0.00 H +ATOM 237 H2 TIP3A 79 18.266 13.911 23.293 1.00 0.00 H +ATOM 238 O1 TIP3A 80 23.598 17.956 7.169 1.00 0.00 O +ATOM 239 H1 TIP3A 80 24.381 18.453 7.405 1.00 0.00 H +ATOM 240 H2 TIP3A 80 23.052 18.581 6.691 1.00 0.00 H +ATOM 241 O1 TIP3A 81 0.009 20.640 28.697 1.00 0.00 O +ATOM 242 H1 TIP3A 81 0.570 20.470 29.453 1.00 0.00 H +ATOM 243 H2 TIP3A 81 -0.004 19.811 28.217 1.00 0.00 H +ATOM 244 O1 TIP3A 82 28.115 7.841 6.219 1.00 0.00 O +ATOM 245 H1 TIP3A 82 28.697 7.955 6.970 1.00 0.00 H +ATOM 246 H2 TIP3A 82 27.650 8.675 6.147 1.00 0.00 H +ATOM 247 O1 TIP3A 83 0.579 31.355 22.827 1.00 0.00 O +ATOM 248 H1 TIP3A 83 0.001 30.749 23.288 1.00 0.00 H +ATOM 249 H2 TIP3A 83 0.000 32.054 22.520 1.00 0.00 H +ATOM 250 O1 TIP3A 84 34.316 13.790 21.353 1.00 0.00 O +ATOM 251 H1 TIP3A 84 34.067 13.605 22.258 1.00 0.00 H +ATOM 252 H2 TIP3A 84 33.603 13.424 20.828 1.00 0.00 H +ATOM 253 O1 TIP3A 85 38.400 20.347 4.833 1.00 0.00 O +ATOM 254 H1 TIP3A 85 38.340 20.491 5.777 1.00 0.00 H +ATOM 255 H2 TIP3A 85 37.672 19.758 4.633 1.00 0.00 H +ATOM 256 O1 TIP3A 86 6.571 16.015 6.250 1.00 0.00 O +ATOM 257 H1 TIP3A 86 6.644 15.205 6.754 1.00 0.00 H +ATOM 258 H2 TIP3A 86 5.656 16.278 6.349 1.00 0.00 H +ATOM 259 O1 TIP3A 87 22.220 19.310 36.419 1.00 0.00 O +ATOM 260 H1 TIP3A 87 21.571 19.795 36.927 1.00 0.00 H +ATOM 261 H2 TIP3A 87 22.228 18.436 36.810 1.00 0.00 H +ATOM 262 O1 TIP3A 88 28.924 37.784 27.794 1.00 0.00 O +ATOM 263 H1 TIP3A 88 28.641 38.345 28.515 1.00 0.00 H +ATOM 264 H2 TIP3A 88 29.203 38.394 27.110 1.00 0.00 H +ATOM 265 O1 TIP3A 89 19.574 29.048 24.586 1.00 0.00 O +ATOM 266 H1 TIP3A 89 20.237 28.364 24.673 1.00 0.00 H +ATOM 267 H2 TIP3A 89 19.841 29.723 25.210 1.00 0.00 H +ATOM 268 O1 TIP3A 90 22.007 3.974 0.875 1.00 0.00 O +ATOM 269 H1 TIP3A 90 21.606 4.136 1.728 1.00 0.00 H +ATOM 270 H2 TIP3A 90 22.368 3.089 0.943 1.00 0.00 H +ATOM 271 O1 TIP3A 91 15.195 4.624 35.529 1.00 0.00 O +ATOM 272 H1 TIP3A 91 15.416 5.549 35.630 1.00 0.00 H +ATOM 273 H2 TIP3A 91 14.884 4.548 34.626 1.00 0.00 H +ATOM 274 O1 TIP3A 92 13.570 4.170 10.824 1.00 0.00 O +ATOM 275 H1 TIP3A 92 14.232 3.485 10.735 1.00 0.00 H +ATOM 276 H2 TIP3A 92 13.912 4.747 11.508 1.00 0.00 H +ATOM 277 O1 TIP3A 93 35.254 7.713 10.950 1.00 0.00 O +ATOM 278 H1 TIP3A 93 34.513 8.264 10.700 1.00 0.00 H +ATOM 279 H2 TIP3A 93 34.984 7.307 11.774 1.00 0.00 H +ATOM 280 O1 TIP3A 94 18.971 6.410 5.207 1.00 0.00 O +ATOM 281 H1 TIP3A 94 19.679 5.898 5.595 1.00 0.00 H +ATOM 282 H2 TIP3A 94 18.712 5.914 4.430 1.00 0.00 H +ATOM 283 O1 TIP3A 95 34.686 23.117 17.921 1.00 0.00 O +ATOM 284 H1 TIP3A 95 35.132 23.618 18.603 1.00 0.00 H +ATOM 285 H2 TIP3A 95 33.870 22.826 18.331 1.00 0.00 H +ATOM 286 O1 TIP3A 96 13.288 21.004 32.783 1.00 0.00 O +ATOM 287 H1 TIP3A 96 13.437 21.945 32.695 1.00 0.00 H +ATOM 288 H2 TIP3A 96 13.905 20.605 32.169 1.00 0.00 H +ATOM 289 O1 TIP3A 97 13.771 5.264 28.440 1.00 0.00 O +ATOM 290 H1 TIP3A 97 12.966 5.561 28.863 1.00 0.00 H +ATOM 291 H2 TIP3A 97 13.763 5.691 27.583 1.00 0.00 H +ATOM 292 O1 TIP3A 98 2.975 19.471 0.831 1.00 0.00 O +ATOM 293 H1 TIP3A 98 3.602 20.190 0.903 1.00 0.00 H +ATOM 294 H2 TIP3A 98 2.231 19.746 1.368 1.00 0.00 H +ATOM 295 O1 TIP3A 99 21.003 5.750 19.799 1.00 0.00 O +ATOM 296 H1 TIP3A 99 20.703 5.582 20.691 1.00 0.00 H +ATOM 297 H2 TIP3A 99 21.439 4.938 19.535 1.00 0.00 H +ATOM 298 O1 TIP3A 100 10.849 32.926 25.728 1.00 0.00 O +ATOM 299 H1 TIP3A 100 10.348 33.393 25.061 1.00 0.00 H +ATOM 300 H2 TIP3A 100 10.249 32.254 26.053 1.00 0.00 H +ATOM 301 O1 TIP3A 101 27.800 7.981 18.489 1.00 0.00 O +ATOM 302 H1 TIP3A 101 28.545 7.983 19.089 1.00 0.00 H +ATOM 303 H2 TIP3A 101 27.196 8.629 18.854 1.00 0.00 H +ATOM 304 O1 TIP3A 102 19.464 27.493 27.421 1.00 0.00 O +ATOM 305 H1 TIP3A 102 19.460 28.143 26.720 1.00 0.00 H +ATOM 306 H2 TIP3A 102 18.805 27.805 28.042 1.00 0.00 H +ATOM 307 O1 TIP3A 103 28.621 34.766 18.394 1.00 0.00 O +ATOM 308 H1 TIP3A 103 29.270 34.477 17.754 1.00 0.00 H +ATOM 309 H2 TIP3A 103 29.138 35.097 19.129 1.00 0.00 H +ATOM 310 O1 TIP3A 104 31.997 21.730 34.626 1.00 0.00 O +ATOM 311 H1 TIP3A 104 32.723 21.178 34.915 1.00 0.00 H +ATOM 312 H2 TIP3A 104 31.797 21.421 33.741 1.00 0.00 H +ATOM 313 O1 TIP3A 105 23.048 36.797 25.463 1.00 0.00 O +ATOM 314 H1 TIP3A 105 23.423 35.917 25.433 1.00 0.00 H +ATOM 315 H2 TIP3A 105 23.763 37.352 25.776 1.00 0.00 H +ATOM 316 O1 TIP3A 106 15.953 10.854 31.671 1.00 0.00 O +ATOM 317 H1 TIP3A 106 15.572 11.698 31.432 1.00 0.00 H +ATOM 318 H2 TIP3A 106 15.747 10.751 32.600 1.00 0.00 H +ATOM 319 O1 TIP3A 107 30.940 19.521 3.931 1.00 0.00 O +ATOM 320 H1 TIP3A 107 30.899 20.038 4.735 1.00 0.00 H +ATOM 321 H2 TIP3A 107 30.249 18.867 4.030 1.00 0.00 H +ATOM 322 O1 TIP3A 108 24.297 3.042 16.980 1.00 0.00 O +ATOM 323 H1 TIP3A 108 25.246 3.074 16.863 1.00 0.00 H +ATOM 324 H2 TIP3A 108 23.946 3.024 16.089 1.00 0.00 H +ATOM 325 O1 TIP3A 109 35.388 20.643 26.599 1.00 0.00 O +ATOM 326 H1 TIP3A 109 35.657 19.751 26.384 1.00 0.00 H +ATOM 327 H2 TIP3A 109 35.998 20.920 27.283 1.00 0.00 H +ATOM 328 O1 TIP3A 110 26.149 29.026 10.836 1.00 0.00 O +ATOM 329 H1 TIP3A 110 25.709 29.809 10.508 1.00 0.00 H +ATOM 330 H2 TIP3A 110 26.531 28.621 10.058 1.00 0.00 H +ATOM 331 O1 TIP3A 111 5.645 37.580 25.516 1.00 0.00 O +ATOM 332 H1 TIP3A 111 6.487 37.648 25.067 1.00 0.00 H +ATOM 333 H2 TIP3A 111 5.616 38.349 26.087 1.00 0.00 H +ATOM 334 O1 TIP3A 112 23.847 8.596 26.616 1.00 0.00 O +ATOM 335 H1 TIP3A 112 24.189 8.180 25.825 1.00 0.00 H +ATOM 336 H2 TIP3A 112 23.094 8.059 26.863 1.00 0.00 H +ATOM 337 O1 TIP3A 113 34.447 38.240 33.890 1.00 0.00 O +ATOM 338 H1 TIP3A 113 35.242 38.182 33.361 1.00 0.00 H +ATOM 339 H2 TIP3A 113 33.748 38.400 33.255 1.00 0.00 H +ATOM 340 O1 TIP3A 114 31.954 38.066 31.652 1.00 0.00 O +ATOM 341 H1 TIP3A 114 31.061 38.387 31.532 1.00 0.00 H +ATOM 342 H2 TIP3A 114 32.434 38.404 30.896 1.00 0.00 H +ATOM 343 O1 TIP3A 115 26.577 27.664 21.645 1.00 0.00 O +ATOM 344 H1 TIP3A 115 26.518 26.733 21.859 1.00 0.00 H +ATOM 345 H2 TIP3A 115 26.713 27.684 20.697 1.00 0.00 H +ATOM 346 O1 TIP3A 116 31.933 27.208 16.803 1.00 0.00 O +ATOM 347 H1 TIP3A 116 31.022 27.033 17.036 1.00 0.00 H +ATOM 348 H2 TIP3A 116 31.890 27.556 15.912 1.00 0.00 H +ATOM 349 O1 TIP3A 117 16.540 32.027 12.677 1.00 0.00 O +ATOM 350 H1 TIP3A 117 17.128 32.761 12.851 1.00 0.00 H +ATOM 351 H2 TIP3A 117 15.783 32.187 13.241 1.00 0.00 H +ATOM 352 O1 TIP3A 118 23.075 24.779 10.526 1.00 0.00 O +ATOM 353 H1 TIP3A 118 22.965 24.599 9.593 1.00 0.00 H +ATOM 354 H2 TIP3A 118 23.303 25.709 10.566 1.00 0.00 H +ATOM 355 O1 TIP3A 119 13.236 34.074 20.521 1.00 0.00 O +ATOM 356 H1 TIP3A 119 12.984 34.782 21.113 1.00 0.00 H +ATOM 357 H2 TIP3A 119 12.564 33.404 20.649 1.00 0.00 H +ATOM 358 O1 TIP3A 120 7.324 15.579 18.920 1.00 0.00 O +ATOM 359 H1 TIP3A 120 8.110 15.115 19.205 1.00 0.00 H +ATOM 360 H2 TIP3A 120 6.601 15.097 19.322 1.00 0.00 H +ATOM 361 O1 TIP3A 121 24.082 30.594 32.863 1.00 0.00 O +ATOM 362 H1 TIP3A 121 23.228 30.805 33.238 1.00 0.00 H +ATOM 363 H2 TIP3A 121 24.496 31.444 32.713 1.00 0.00 H +ATOM 364 O1 TIP3A 122 19.475 8.103 36.270 1.00 0.00 O +ATOM 365 H1 TIP3A 122 20.090 7.628 35.713 1.00 0.00 H +ATOM 366 H2 TIP3A 122 18.643 8.067 35.796 1.00 0.00 H +ATOM 367 O1 TIP3A 123 31.289 29.596 22.776 1.00 0.00 O +ATOM 368 H1 TIP3A 123 30.969 28.703 22.649 1.00 0.00 H +ATOM 369 H2 TIP3A 123 30.676 30.144 22.285 1.00 0.00 H +ATOM 370 O1 TIP3A 124 30.653 34.964 31.231 1.00 0.00 O +ATOM 371 H1 TIP3A 124 30.062 35.709 31.124 1.00 0.00 H +ATOM 372 H2 TIP3A 124 31.191 34.970 30.438 1.00 0.00 H +ATOM 373 O1 TIP3A 125 4.868 10.498 25.362 1.00 0.00 O +ATOM 374 H1 TIP3A 125 4.542 11.076 24.673 1.00 0.00 H +ATOM 375 H2 TIP3A 125 5.332 9.803 24.894 1.00 0.00 H +ATOM 376 O1 TIP3A 126 24.990 26.364 11.818 1.00 0.00 O +ATOM 377 H1 TIP3A 126 25.923 26.567 11.769 1.00 0.00 H +ATOM 378 H2 TIP3A 126 24.622 27.056 12.368 1.00 0.00 H +ATOM 379 O1 TIP3A 127 17.378 28.985 5.887 1.00 0.00 O +ATOM 380 H1 TIP3A 127 18.318 29.128 5.779 1.00 0.00 H +ATOM 381 H2 TIP3A 127 17.098 28.594 5.059 1.00 0.00 H +ATOM 382 O1 TIP3A 128 13.590 6.929 17.164 1.00 0.00 O +ATOM 383 H1 TIP3A 128 14.034 6.213 17.616 1.00 0.00 H +ATOM 384 H2 TIP3A 128 14.130 7.700 17.346 1.00 0.00 H +ATOM 385 O1 TIP3A 129 17.114 33.107 8.292 1.00 0.00 O +ATOM 386 H1 TIP3A 129 17.616 33.002 9.100 1.00 0.00 H +ATOM 387 H2 TIP3A 129 17.078 32.228 7.916 1.00 0.00 H +ATOM 388 O1 TIP3A 130 30.412 34.167 25.254 1.00 0.00 O +ATOM 389 H1 TIP3A 130 30.379 34.754 26.009 1.00 0.00 H +ATOM 390 H2 TIP3A 130 30.014 34.669 24.542 1.00 0.00 H +ATOM 391 O1 TIP3A 131 7.697 5.967 13.824 1.00 0.00 O +ATOM 392 H1 TIP3A 131 7.589 5.232 14.427 1.00 0.00 H +ATOM 393 H2 TIP3A 131 6.854 6.034 13.374 1.00 0.00 H +ATOM 394 O1 TIP3A 132 36.670 26.476 2.123 1.00 0.00 O +ATOM 395 H1 TIP3A 132 36.326 25.994 1.372 1.00 0.00 H +ATOM 396 H2 TIP3A 132 36.683 27.390 1.837 1.00 0.00 H +ATOM 397 O1 TIP3A 133 29.046 17.711 36.402 1.00 0.00 O +ATOM 398 H1 TIP3A 133 29.103 17.408 35.496 1.00 0.00 H +ATOM 399 H2 TIP3A 133 28.219 18.191 36.443 1.00 0.00 H +ATOM 400 O1 TIP3A 134 17.239 28.175 22.079 1.00 0.00 O +ATOM 401 H1 TIP3A 134 16.404 28.575 22.317 1.00 0.00 H +ATOM 402 H2 TIP3A 134 17.248 27.340 22.548 1.00 0.00 H +ATOM 403 O1 TIP3A 135 18.569 7.869 33.263 1.00 0.00 O +ATOM 404 H1 TIP3A 135 19.068 7.253 33.798 1.00 0.00 H +ATOM 405 H2 TIP3A 135 18.555 7.473 32.391 1.00 0.00 H +ATOM 406 O1 TIP3A 136 28.803 24.583 26.992 1.00 0.00 O +ATOM 407 H1 TIP3A 136 29.605 24.777 27.476 1.00 0.00 H +ATOM 408 H2 TIP3A 136 28.729 25.295 26.355 1.00 0.00 H +ATOM 409 O1 TIP3A 137 34.717 24.670 13.033 1.00 0.00 O +ATOM 410 H1 TIP3A 137 34.510 24.723 12.100 1.00 0.00 H +ATOM 411 H2 TIP3A 137 33.869 24.546 13.460 1.00 0.00 H +ATOM 412 O1 TIP3A 138 22.229 33.205 16.976 1.00 0.00 O +ATOM 413 H1 TIP3A 138 22.334 32.272 16.796 1.00 0.00 H +ATOM 414 H2 TIP3A 138 21.398 33.438 16.560 1.00 0.00 H +ATOM 415 O1 TIP3A 139 22.425 34.141 11.443 1.00 0.00 O +ATOM 416 H1 TIP3A 139 22.897 33.673 10.755 1.00 0.00 H +ATOM 417 H2 TIP3A 139 23.089 34.695 11.855 1.00 0.00 H +ATOM 418 O1 TIP3A 140 20.698 36.645 19.224 1.00 0.00 O +ATOM 419 H1 TIP3A 140 21.354 36.396 19.874 1.00 0.00 H +ATOM 420 H2 TIP3A 140 21.203 37.042 18.514 1.00 0.00 H +ATOM 421 O1 TIP3A 141 20.123 1.863 0.829 1.00 0.00 O +ATOM 422 H1 TIP3A 141 19.870 2.602 1.381 1.00 0.00 H +ATOM 423 H2 TIP3A 141 19.667 2.016 0.000 1.00 0.00 H +ATOM 424 O1 TIP3A 142 13.663 4.122 2.504 1.00 0.00 O +ATOM 425 H1 TIP3A 142 14.258 4.847 2.689 1.00 0.00 H +ATOM 426 H2 TIP3A 142 14.233 3.413 2.205 1.00 0.00 H +ATOM 427 O1 TIP3A 143 35.044 17.008 4.732 1.00 0.00 O +ATOM 428 H1 TIP3A 143 35.108 17.957 4.632 1.00 0.00 H +ATOM 429 H2 TIP3A 143 34.451 16.733 4.031 1.00 0.00 H +ATOM 430 O1 TIP3A 144 13.744 7.717 38.219 1.00 0.00 O +ATOM 431 H1 TIP3A 144 13.997 8.479 37.700 1.00 0.00 H +ATOM 432 H2 TIP3A 144 12.812 7.845 38.397 1.00 0.00 H +ATOM 433 O1 TIP3A 145 33.338 37.810 22.736 1.00 0.00 O +ATOM 434 H1 TIP3A 145 33.114 38.385 23.466 1.00 0.00 H +ATOM 435 H2 TIP3A 145 33.705 38.395 22.073 1.00 0.00 H +ATOM 436 O1 TIP3A 146 13.386 11.126 10.494 1.00 0.00 O +ATOM 437 H1 TIP3A 146 12.438 11.096 10.613 1.00 0.00 H +ATOM 438 H2 TIP3A 146 13.553 10.551 9.746 1.00 0.00 H +ATOM 439 O1 TIP3A 147 4.735 14.461 21.919 1.00 0.00 O +ATOM 440 H1 TIP3A 147 5.417 14.872 21.389 1.00 0.00 H +ATOM 441 H2 TIP3A 147 4.822 13.525 21.740 1.00 0.00 H +ATOM 442 O1 TIP3A 148 27.297 5.118 6.834 1.00 0.00 O +ATOM 443 H1 TIP3A 148 26.383 5.252 7.082 1.00 0.00 H +ATOM 444 H2 TIP3A 148 27.661 4.581 7.539 1.00 0.00 H +ATOM 445 O1 TIP3A 149 32.894 10.738 4.928 1.00 0.00 O +ATOM 446 H1 TIP3A 149 32.462 10.697 5.780 1.00 0.00 H +ATOM 447 H2 TIP3A 149 32.627 11.581 4.563 1.00 0.00 H +ATOM 448 O1 TIP3A 150 3.566 28.843 25.052 1.00 0.00 O +ATOM 449 H1 TIP3A 150 4.112 29.517 24.648 1.00 0.00 H +ATOM 450 H2 TIP3A 150 3.315 29.212 25.899 1.00 0.00 H +ATOM 451 O1 TIP3A 151 27.983 33.724 31.204 1.00 0.00 O +ATOM 452 H1 TIP3A 151 28.827 33.802 31.646 1.00 0.00 H +ATOM 453 H2 TIP3A 151 28.185 33.849 30.276 1.00 0.00 H +ATOM 454 O1 TIP3A 152 13.572 10.546 0.571 1.00 0.00 O +ATOM 455 H1 TIP3A 152 13.724 9.636 0.821 1.00 0.00 H +ATOM 456 H2 TIP3A 152 12.803 10.514 0.001 1.00 0.00 H +ATOM 457 O1 TIP3A 153 3.375 34.095 32.625 1.00 0.00 O +ATOM 458 H1 TIP3A 153 4.009 34.139 31.910 1.00 0.00 H +ATOM 459 H2 TIP3A 153 3.498 33.223 33.002 1.00 0.00 H +ATOM 460 O1 TIP3A 154 14.097 10.167 29.627 1.00 0.00 O +ATOM 461 H1 TIP3A 154 14.163 10.182 30.581 1.00 0.00 H +ATOM 462 H2 TIP3A 154 14.672 9.449 29.358 1.00 0.00 H +ATOM 463 O1 TIP3A 155 10.658 16.353 15.049 1.00 0.00 O +ATOM 464 H1 TIP3A 155 9.873 15.891 15.343 1.00 0.00 H +ATOM 465 H2 TIP3A 155 10.341 17.216 14.778 1.00 0.00 H +ATOM 466 O1 TIP3A 156 16.892 32.986 18.205 1.00 0.00 O +ATOM 467 H1 TIP3A 156 17.749 33.400 18.296 1.00 0.00 H +ATOM 468 H2 TIP3A 156 16.454 33.154 19.041 1.00 0.00 H +ATOM 469 O1 TIP3A 157 36.204 6.450 15.612 1.00 0.00 O +ATOM 470 H1 TIP3A 157 35.974 7.378 15.573 1.00 0.00 H +ATOM 471 H2 TIP3A 157 36.977 6.370 15.052 1.00 0.00 H +ATOM 472 O1 TIP3A 158 15.504 2.406 25.202 1.00 0.00 O +ATOM 473 H1 TIP3A 158 16.347 1.955 25.215 1.00 0.00 H +ATOM 474 H2 TIP3A 158 14.963 1.889 24.604 1.00 0.00 H +ATOM 475 O1 TIP3A 159 21.248 33.657 25.675 1.00 0.00 O +ATOM 476 H1 TIP3A 159 20.729 33.857 24.897 1.00 0.00 H +ATOM 477 H2 TIP3A 159 22.025 33.210 25.337 1.00 0.00 H +ATOM 478 O1 TIP3A 160 22.110 6.500 3.631 1.00 0.00 O +ATOM 479 H1 TIP3A 160 22.555 7.345 3.691 1.00 0.00 H +ATOM 480 H2 TIP3A 160 21.450 6.526 4.324 1.00 0.00 H +ATOM 481 O1 TIP3A 161 21.810 29.098 10.716 1.00 0.00 O +ATOM 482 H1 TIP3A 161 21.027 29.068 10.167 1.00 0.00 H +ATOM 483 H2 TIP3A 161 21.618 28.501 11.440 1.00 0.00 H +ATOM 484 O1 TIP3A 162 13.944 12.085 6.160 1.00 0.00 O +ATOM 485 H1 TIP3A 162 14.521 12.296 5.427 1.00 0.00 H +ATOM 486 H2 TIP3A 162 13.174 11.688 5.752 1.00 0.00 H +ATOM 487 O1 TIP3A 163 35.273 28.136 0.043 1.00 0.00 O +ATOM 488 H1 TIP3A 163 36.163 28.484 0.000 1.00 0.00 H +ATOM 489 H2 TIP3A 163 34.836 28.673 0.705 1.00 0.00 H +ATOM 490 O1 TIP3A 164 10.193 22.025 32.377 1.00 0.00 O +ATOM 491 H1 TIP3A 164 9.613 21.391 31.956 1.00 0.00 H +ATOM 492 H2 TIP3A 164 10.991 21.530 32.567 1.00 0.00 H +ATOM 493 O1 TIP3A 165 11.764 10.573 38.330 1.00 0.00 O +ATOM 494 H1 TIP3A 165 11.639 11.255 37.671 1.00 0.00 H +ATOM 495 H2 TIP3A 165 11.278 9.820 37.992 1.00 0.00 H +ATOM 496 O1 TIP3A 166 8.178 34.309 23.055 1.00 0.00 O +ATOM 497 H1 TIP3A 166 7.566 33.607 23.274 1.00 0.00 H +ATOM 498 H2 TIP3A 166 9.038 33.959 23.288 1.00 0.00 H +ATOM 499 O1 TIP3A 167 31.842 1.512 31.103 1.00 0.00 O +ATOM 500 H1 TIP3A 167 31.123 0.932 30.856 1.00 0.00 H +ATOM 501 H2 TIP3A 167 31.717 2.294 30.564 1.00 0.00 H +ATOM 502 O1 TIP3A 168 36.830 2.789 25.193 1.00 0.00 O +ATOM 503 H1 TIP3A 168 37.743 3.072 25.235 1.00 0.00 H +ATOM 504 H2 TIP3A 168 36.458 3.054 26.036 1.00 0.00 H +ATOM 505 O1 TIP3A 169 24.280 22.171 20.125 1.00 0.00 O +ATOM 506 H1 TIP3A 169 23.482 21.669 19.961 1.00 0.00 H +ATOM 507 H2 TIP3A 169 24.788 21.625 20.727 1.00 0.00 H +ATOM 508 O1 TIP3A 170 18.885 37.190 11.871 1.00 0.00 O +ATOM 509 H1 TIP3A 170 18.797 38.089 12.184 1.00 0.00 H +ATOM 510 H2 TIP3A 170 18.399 36.665 12.508 1.00 0.00 H +ATOM 511 O1 TIP3A 171 2.074 3.785 13.118 1.00 0.00 O +ATOM 512 H1 TIP3A 171 1.343 4.071 12.571 1.00 0.00 H +ATOM 513 H2 TIP3A 171 1.914 2.852 13.262 1.00 0.00 H +ATOM 514 O1 TIP3A 172 11.636 4.875 15.391 1.00 0.00 O +ATOM 515 H1 TIP3A 172 12.398 4.300 15.455 1.00 0.00 H +ATOM 516 H2 TIP3A 172 11.823 5.590 16.000 1.00 0.00 H +ATOM 517 O1 TIP3A 173 9.101 18.632 28.372 1.00 0.00 O +ATOM 518 H1 TIP3A 173 9.413 18.243 27.555 1.00 0.00 H +ATOM 519 H2 TIP3A 173 8.293 18.156 28.571 1.00 0.00 H +ATOM 520 O1 TIP3A 174 9.543 19.887 8.645 1.00 0.00 O +ATOM 521 H1 TIP3A 174 10.266 19.261 8.639 1.00 0.00 H +ATOM 522 H2 TIP3A 174 8.758 19.347 8.743 1.00 0.00 H +ATOM 523 O1 TIP3A 175 20.795 35.420 26.935 1.00 0.00 O +ATOM 524 H1 TIP3A 175 21.736 35.495 26.780 1.00 0.00 H +ATOM 525 H2 TIP3A 175 20.657 35.840 27.784 1.00 0.00 H +ATOM 526 O1 TIP3A 176 33.851 2.937 33.635 1.00 0.00 O +ATOM 527 H1 TIP3A 176 33.092 3.491 33.455 1.00 0.00 H +ATOM 528 H2 TIP3A 176 33.762 2.700 34.558 1.00 0.00 H +ATOM 529 O1 TIP3A 177 14.691 4.659 23.032 1.00 0.00 O +ATOM 530 H1 TIP3A 177 15.073 3.789 22.921 1.00 0.00 H +ATOM 531 H2 TIP3A 177 14.091 4.754 22.292 1.00 0.00 H +ATOM 532 O1 TIP3A 178 5.867 12.813 9.468 1.00 0.00 O +ATOM 533 H1 TIP3A 178 5.128 13.383 9.679 1.00 0.00 H +ATOM 534 H2 TIP3A 178 6.627 13.396 9.463 1.00 0.00 H +ATOM 535 O1 TIP3A 179 14.664 16.806 17.521 1.00 0.00 O +ATOM 536 H1 TIP3A 179 13.834 17.265 17.402 1.00 0.00 H +ATOM 537 H2 TIP3A 179 14.522 16.247 18.286 1.00 0.00 H +ATOM 538 O1 TIP3A 180 35.567 12.845 18.935 1.00 0.00 O +ATOM 539 H1 TIP3A 180 34.998 13.588 19.134 1.00 0.00 H +ATOM 540 H2 TIP3A 180 36.210 13.195 18.318 1.00 0.00 H +ATOM 541 O1 TIP3A 181 17.679 20.150 3.231 1.00 0.00 O +ATOM 542 H1 TIP3A 181 17.584 19.975 2.296 1.00 0.00 H +ATOM 543 H2 TIP3A 181 17.193 19.443 3.658 1.00 0.00 H +ATOM 544 O1 TIP3A 182 32.615 37.469 16.278 1.00 0.00 O +ATOM 545 H1 TIP3A 182 33.446 37.163 15.917 1.00 0.00 H +ATOM 546 H2 TIP3A 182 32.759 38.398 16.458 1.00 0.00 H +ATOM 547 O1 TIP3A 183 28.413 23.319 31.073 1.00 0.00 O +ATOM 548 H1 TIP3A 183 29.066 23.810 30.574 1.00 0.00 H +ATOM 549 H2 TIP3A 183 28.509 23.636 31.971 1.00 0.00 H +ATOM 550 O1 TIP3A 184 4.752 37.950 34.121 1.00 0.00 O +ATOM 551 H1 TIP3A 184 3.910 38.400 34.056 1.00 0.00 H +ATOM 552 H2 TIP3A 184 5.315 38.400 33.491 1.00 0.00 H +ATOM 553 O1 TIP3A 185 21.450 22.357 32.571 1.00 0.00 O +ATOM 554 H1 TIP3A 185 20.573 22.731 32.508 1.00 0.00 H +ATOM 555 H2 TIP3A 185 21.971 22.856 31.941 1.00 0.00 H +ATOM 556 O1 TIP3A 186 23.515 20.726 22.808 1.00 0.00 O +ATOM 557 H1 TIP3A 186 23.715 19.828 23.068 1.00 0.00 H +ATOM 558 H2 TIP3A 186 22.570 20.810 22.941 1.00 0.00 H +ATOM 559 O1 TIP3A 187 18.584 9.963 37.096 1.00 0.00 O +ATOM 560 H1 TIP3A 187 17.699 9.603 37.146 1.00 0.00 H +ATOM 561 H2 TIP3A 187 18.516 10.678 36.462 1.00 0.00 H +ATOM 562 O1 TIP3A 188 20.623 36.223 5.878 1.00 0.00 O +ATOM 563 H1 TIP3A 188 20.354 35.328 6.085 1.00 0.00 H +ATOM 564 H2 TIP3A 188 21.564 36.159 5.714 1.00 0.00 H +ATOM 565 O1 TIP3A 189 20.676 28.673 4.417 1.00 0.00 O +ATOM 566 H1 TIP3A 189 20.996 28.541 5.309 1.00 0.00 H +ATOM 567 H2 TIP3A 189 21.312 29.269 4.019 1.00 0.00 H +ATOM 568 O1 TIP3A 190 33.777 17.482 23.310 1.00 0.00 O +ATOM 569 H1 TIP3A 190 32.986 16.958 23.435 1.00 0.00 H +ATOM 570 H2 TIP3A 190 34.385 17.162 23.977 1.00 0.00 H +ATOM 571 O1 TIP3A 191 10.095 16.251 12.093 1.00 0.00 O +ATOM 572 H1 TIP3A 191 10.931 16.709 12.004 1.00 0.00 H +ATOM 573 H2 TIP3A 191 10.150 15.814 12.943 1.00 0.00 H +ATOM 574 O1 TIP3A 192 20.704 30.329 17.137 1.00 0.00 O +ATOM 575 H1 TIP3A 192 20.872 30.985 17.813 1.00 0.00 H +ATOM 576 H2 TIP3A 192 20.162 29.670 17.571 1.00 0.00 H +ATOM 577 O1 TIP3A 193 31.958 12.664 16.112 1.00 0.00 O +ATOM 578 H1 TIP3A 193 32.458 12.120 15.505 1.00 0.00 H +ATOM 579 H2 TIP3A 193 31.102 12.240 16.166 1.00 0.00 H +ATOM 580 O1 TIP3A 194 28.935 32.323 16.831 1.00 0.00 O +ATOM 581 H1 TIP3A 194 29.813 32.552 16.528 1.00 0.00 H +ATOM 582 H2 TIP3A 194 29.064 31.545 17.375 1.00 0.00 H +ATOM 583 O1 TIP3A 195 20.206 17.745 7.818 1.00 0.00 O +ATOM 584 H1 TIP3A 195 20.931 17.648 8.434 1.00 0.00 H +ATOM 585 H2 TIP3A 195 20.561 17.446 6.980 1.00 0.00 H +ATOM 586 O1 TIP3A 196 6.708 22.007 1.167 1.00 0.00 O +ATOM 587 H1 TIP3A 196 7.043 22.902 1.202 1.00 0.00 H +ATOM 588 H2 TIP3A 196 5.982 21.997 1.791 1.00 0.00 H +ATOM 589 O1 TIP3A 197 11.053 36.698 21.872 1.00 0.00 O +ATOM 590 H1 TIP3A 197 11.384 36.623 20.977 1.00 0.00 H +ATOM 591 H2 TIP3A 197 11.021 35.796 22.192 1.00 0.00 H +ATOM 592 O1 TIP3A 198 27.184 38.173 31.370 1.00 0.00 O +ATOM 593 H1 TIP3A 198 26.975 37.307 31.721 1.00 0.00 H +ATOM 594 H2 TIP3A 198 26.424 38.404 30.835 1.00 0.00 H +ATOM 595 O1 TIP3A 199 32.110 7.574 6.741 1.00 0.00 O +ATOM 596 H1 TIP3A 199 32.011 8.321 6.153 1.00 0.00 H +ATOM 597 H2 TIP3A 199 33.053 7.406 6.759 1.00 0.00 H +ATOM 598 O1 TIP3A 200 4.842 0.629 17.222 1.00 0.00 O +ATOM 599 H1 TIP3A 200 4.684 1.285 16.544 1.00 0.00 H +ATOM 600 H2 TIP3A 200 5.760 0.382 17.108 1.00 0.00 H +ATOM 601 O1 TIP3A 201 13.851 11.663 23.077 1.00 0.00 O +ATOM 602 H1 TIP3A 201 12.939 11.591 22.796 1.00 0.00 H +ATOM 603 H2 TIP3A 201 14.290 12.112 22.354 1.00 0.00 H +ATOM 604 O1 TIP3A 202 26.812 27.328 34.008 1.00 0.00 O +ATOM 605 H1 TIP3A 202 26.900 26.809 34.807 1.00 0.00 H +ATOM 606 H2 TIP3A 202 26.061 27.897 34.173 1.00 0.00 H +ATOM 607 O1 TIP3A 203 32.311 19.609 20.249 1.00 0.00 O +ATOM 608 H1 TIP3A 203 33.164 19.197 20.114 1.00 0.00 H +ATOM 609 H2 TIP3A 203 31.957 19.178 21.028 1.00 0.00 H +ATOM 610 O1 TIP3A 204 14.598 23.665 29.266 1.00 0.00 O +ATOM 611 H1 TIP3A 204 13.945 22.967 29.224 1.00 0.00 H +ATOM 612 H2 TIP3A 204 14.135 24.446 28.958 1.00 0.00 H +ATOM 613 O1 TIP3A 205 14.721 2.758 27.407 1.00 0.00 O +ATOM 614 H1 TIP3A 205 13.809 3.038 27.464 1.00 0.00 H +ATOM 615 H2 TIP3A 205 15.221 3.574 27.370 1.00 0.00 H +ATOM 616 O1 TIP3A 206 8.030 3.546 34.646 1.00 0.00 O +ATOM 617 H1 TIP3A 206 7.210 3.068 34.765 1.00 0.00 H +ATOM 618 H2 TIP3A 206 7.971 3.906 33.760 1.00 0.00 H +ATOM 619 O1 TIP3A 207 20.849 25.481 30.340 1.00 0.00 O +ATOM 620 H1 TIP3A 207 21.799 25.572 30.272 1.00 0.00 H +ATOM 621 H2 TIP3A 207 20.721 24.722 30.909 1.00 0.00 H +ATOM 622 O1 TIP3A 208 20.569 30.170 37.545 1.00 0.00 O +ATOM 623 H1 TIP3A 208 20.984 30.278 38.400 1.00 0.00 H +ATOM 624 H2 TIP3A 208 19.761 30.681 37.603 1.00 0.00 H +ATOM 625 O1 TIP3A 209 16.536 12.386 35.955 1.00 0.00 O +ATOM 626 H1 TIP3A 209 15.983 11.620 35.807 1.00 0.00 H +ATOM 627 H2 TIP3A 209 16.513 12.862 35.124 1.00 0.00 H +ATOM 628 O1 TIP3A 210 5.436 13.912 37.638 1.00 0.00 O +ATOM 629 H1 TIP3A 210 4.491 13.770 37.597 1.00 0.00 H +ATOM 630 H2 TIP3A 210 5.721 13.409 38.401 1.00 0.00 H +ATOM 631 O1 TIP3A 211 29.869 14.750 27.696 1.00 0.00 O +ATOM 632 H1 TIP3A 211 30.007 15.491 27.107 1.00 0.00 H +ATOM 633 H2 TIP3A 211 30.640 14.750 28.265 1.00 0.00 H +ATOM 634 O1 TIP3A 212 33.218 21.440 5.588 1.00 0.00 O +ATOM 635 H1 TIP3A 212 33.063 20.522 5.367 1.00 0.00 H +ATOM 636 H2 TIP3A 212 32.687 21.931 4.961 1.00 0.00 H +ATOM 637 O1 TIP3A 213 2.919 34.729 14.951 1.00 0.00 O +ATOM 638 H1 TIP3A 213 2.209 34.816 14.316 1.00 0.00 H +ATOM 639 H2 TIP3A 213 3.325 35.596 14.977 1.00 0.00 H +ATOM 640 O1 TIP3A 214 10.612 10.203 7.262 1.00 0.00 O +ATOM 641 H1 TIP3A 214 11.044 10.976 6.900 1.00 0.00 H +ATOM 642 H2 TIP3A 214 9.705 10.273 6.963 1.00 0.00 H +ATOM 643 O1 TIP3A 215 11.994 20.287 10.912 1.00 0.00 O +ATOM 644 H1 TIP3A 215 11.646 19.621 10.320 1.00 0.00 H +ATOM 645 H2 TIP3A 215 12.490 20.878 10.344 1.00 0.00 H +ATOM 646 O1 TIP3A 216 14.647 23.062 35.062 1.00 0.00 O +ATOM 647 H1 TIP3A 216 14.588 22.977 36.013 1.00 0.00 H +ATOM 648 H2 TIP3A 216 13.905 22.556 34.730 1.00 0.00 H +ATOM 649 O1 TIP3A 217 34.669 27.941 32.832 1.00 0.00 O +ATOM 650 H1 TIP3A 217 33.718 28.037 32.870 1.00 0.00 H +ATOM 651 H2 TIP3A 217 34.809 27.013 32.642 1.00 0.00 H +ATOM 652 O1 TIP3A 218 4.826 24.221 19.195 1.00 0.00 O +ATOM 653 H1 TIP3A 218 4.068 24.661 19.577 1.00 0.00 H +ATOM 654 H2 TIP3A 218 5.560 24.476 19.756 1.00 0.00 H +ATOM 655 O1 TIP3A 219 17.849 35.726 10.597 1.00 0.00 O +ATOM 656 H1 TIP3A 219 17.072 35.624 10.049 1.00 0.00 H +ATOM 657 H2 TIP3A 219 18.281 34.872 10.563 1.00 0.00 H +ATOM 658 O1 TIP3A 220 30.276 3.634 20.734 1.00 0.00 O +ATOM 659 H1 TIP3A 220 30.925 3.784 21.419 1.00 0.00 H +ATOM 660 H2 TIP3A 220 29.557 3.182 21.178 1.00 0.00 H +ATOM 661 O1 TIP3A 221 18.681 35.106 15.721 1.00 0.00 O +ATOM 662 H1 TIP3A 221 18.700 36.060 15.654 1.00 0.00 H +ATOM 663 H2 TIP3A 221 19.332 34.807 15.086 1.00 0.00 H +ATOM 664 O1 TIP3A 222 23.155 0.504 30.473 1.00 0.00 O +ATOM 665 H1 TIP3A 222 23.964 0.000 30.550 1.00 0.00 H +ATOM 666 H2 TIP3A 222 22.615 0.000 29.863 1.00 0.00 H +ATOM 667 O1 TIP3A 223 10.628 12.104 19.542 1.00 0.00 O +ATOM 668 H1 TIP3A 223 10.908 12.868 19.039 1.00 0.00 H +ATOM 669 H2 TIP3A 223 10.324 12.464 20.376 1.00 0.00 H +ATOM 670 O1 TIP3A 224 16.557 5.618 18.455 1.00 0.00 O +ATOM 671 H1 TIP3A 224 15.829 6.068 18.882 1.00 0.00 H +ATOM 672 H2 TIP3A 224 16.188 5.286 17.636 1.00 0.00 H +ATOM 673 O1 TIP3A 225 15.608 10.345 23.203 1.00 0.00 O +ATOM 674 H1 TIP3A 225 15.511 10.199 24.143 1.00 0.00 H +ATOM 675 H2 TIP3A 225 15.007 9.718 22.799 1.00 0.00 H +ATOM 676 O1 TIP3A 226 32.184 11.035 11.456 1.00 0.00 O +ATOM 677 H1 TIP3A 226 31.416 10.828 11.988 1.00 0.00 H +ATOM 678 H2 TIP3A 226 31.848 11.087 10.560 1.00 0.00 H +ATOM 679 O1 TIP3A 227 21.814 35.170 22.835 1.00 0.00 O +ATOM 680 H1 TIP3A 227 21.123 34.508 22.832 1.00 0.00 H +ATOM 681 H2 TIP3A 227 22.461 34.838 23.459 1.00 0.00 H +ATOM 682 O1 TIP3A 228 11.937 1.176 32.043 1.00 0.00 O +ATOM 683 H1 TIP3A 228 12.139 0.291 32.344 1.00 0.00 H +ATOM 684 H2 TIP3A 228 12.389 1.750 32.662 1.00 0.00 H +ATOM 685 O1 TIP3A 229 3.381 7.181 5.724 1.00 0.00 O +ATOM 686 H1 TIP3A 229 3.674 7.913 5.182 1.00 0.00 H +ATOM 687 H2 TIP3A 229 2.766 7.572 6.344 1.00 0.00 H +ATOM 688 O1 TIP3A 230 14.308 30.659 34.976 1.00 0.00 O +ATOM 689 H1 TIP3A 230 13.697 29.953 35.184 1.00 0.00 H +ATOM 690 H2 TIP3A 230 15.175 30.264 35.074 1.00 0.00 H +ATOM 691 O1 TIP3A 231 8.192 32.768 25.297 1.00 0.00 O +ATOM 692 H1 TIP3A 231 8.563 32.177 24.643 1.00 0.00 H +ATOM 693 H2 TIP3A 231 8.036 32.213 26.062 1.00 0.00 H +ATOM 694 O1 TIP3A 232 1.286 29.280 19.891 1.00 0.00 O +ATOM 695 H1 TIP3A 232 0.919 29.834 20.579 1.00 0.00 H +ATOM 696 H2 TIP3A 232 0.664 28.556 19.807 1.00 0.00 H +ATOM 697 O1 TIP3A 233 31.820 29.743 25.406 1.00 0.00 O +ATOM 698 H1 TIP3A 233 30.968 29.369 25.631 1.00 0.00 H +ATOM 699 H2 TIP3A 233 31.618 30.439 24.780 1.00 0.00 H +ATOM 700 O1 TIP3A 234 18.274 26.620 14.497 1.00 0.00 O +ATOM 701 H1 TIP3A 234 18.295 27.576 14.480 1.00 0.00 H +ATOM 702 H2 TIP3A 234 17.666 26.406 15.206 1.00 0.00 H +ATOM 703 O1 TIP3A 235 17.780 9.299 30.639 1.00 0.00 O +ATOM 704 H1 TIP3A 235 17.934 9.972 31.301 1.00 0.00 H +ATOM 705 H2 TIP3A 235 18.634 8.881 30.519 1.00 0.00 H +ATOM 706 O1 TIP3A 236 19.158 8.414 26.241 1.00 0.00 O +ATOM 707 H1 TIP3A 236 19.307 8.101 25.349 1.00 0.00 H +ATOM 708 H2 TIP3A 236 19.622 7.786 26.796 1.00 0.00 H +ATOM 709 O1 TIP3A 237 10.813 21.896 23.217 1.00 0.00 O +ATOM 710 H1 TIP3A 237 11.263 21.052 23.240 1.00 0.00 H +ATOM 711 H2 TIP3A 237 11.236 22.413 23.904 1.00 0.00 H +ATOM 712 O1 TIP3A 238 2.739 15.967 31.048 1.00 0.00 O +ATOM 713 H1 TIP3A 238 2.690 16.701 31.660 1.00 0.00 H +ATOM 714 H2 TIP3A 238 2.785 16.377 30.184 1.00 0.00 H +ATOM 715 O1 TIP3A 239 21.125 16.380 18.029 1.00 0.00 O +ATOM 716 H1 TIP3A 239 20.202 16.607 17.925 1.00 0.00 H +ATOM 717 H2 TIP3A 239 21.585 16.959 17.421 1.00 0.00 H +ATOM 718 O1 TIP3A 240 12.499 7.423 34.149 1.00 0.00 O +ATOM 719 H1 TIP3A 240 11.922 8.184 34.188 1.00 0.00 H +ATOM 720 H2 TIP3A 240 12.201 6.859 34.864 1.00 0.00 H +ATOM 721 O1 TIP3A 241 8.140 5.499 30.165 1.00 0.00 O +ATOM 722 H1 TIP3A 241 8.426 4.701 30.609 1.00 0.00 H +ATOM 723 H2 TIP3A 241 8.459 6.210 30.721 1.00 0.00 H +ATOM 724 O1 TIP3A 242 27.447 35.287 9.232 1.00 0.00 O +ATOM 725 H1 TIP3A 242 26.679 35.803 8.992 1.00 0.00 H +ATOM 726 H2 TIP3A 242 27.306 34.437 8.813 1.00 0.00 H +ATOM 727 O1 TIP3A 243 28.525 14.125 4.740 1.00 0.00 O +ATOM 728 H1 TIP3A 243 28.748 14.838 5.338 1.00 0.00 H +ATOM 729 H2 TIP3A 243 29.371 13.780 4.452 1.00 0.00 H +ATOM 730 O1 TIP3A 244 9.677 5.079 12.989 1.00 0.00 O +ATOM 731 H1 TIP3A 244 9.858 5.553 13.801 1.00 0.00 H +ATOM 732 H2 TIP3A 244 9.296 4.249 13.276 1.00 0.00 H +ATOM 733 O1 TIP3A 245 31.507 25.570 34.913 1.00 0.00 O +ATOM 734 H1 TIP3A 245 31.417 26.522 34.952 1.00 0.00 H +ATOM 735 H2 TIP3A 245 31.983 25.407 34.097 1.00 0.00 H +ATOM 736 O1 TIP3A 246 15.579 0.897 3.172 1.00 0.00 O +ATOM 737 H1 TIP3A 246 14.693 0.912 3.531 1.00 0.00 H +ATOM 738 H2 TIP3A 246 15.694 0.001 2.853 1.00 0.00 H +ATOM 739 O1 TIP3A 247 23.979 23.150 28.144 1.00 0.00 O +ATOM 740 H1 TIP3A 247 24.921 23.230 27.997 1.00 0.00 H +ATOM 741 H2 TIP3A 247 23.774 23.842 28.774 1.00 0.00 H +ATOM 742 O1 TIP3A 248 12.526 2.301 9.778 1.00 0.00 O +ATOM 743 H1 TIP3A 248 12.530 3.079 9.222 1.00 0.00 H +ATOM 744 H2 TIP3A 248 13.073 1.669 9.310 1.00 0.00 H +ATOM 745 O1 TIP3A 249 6.883 7.469 7.793 1.00 0.00 O +ATOM 746 H1 TIP3A 249 6.117 8.038 7.728 1.00 0.00 H +ATOM 747 H2 TIP3A 249 7.539 7.883 7.231 1.00 0.00 H +ATOM 748 O1 TIP3A 250 25.242 8.469 14.592 1.00 0.00 O +ATOM 749 H1 TIP3A 250 25.809 9.097 14.145 1.00 0.00 H +ATOM 750 H2 TIP3A 250 24.515 8.996 14.924 1.00 0.00 H +ATOM 751 O1 TIP3A 251 23.040 21.639 25.552 1.00 0.00 O +ATOM 752 H1 TIP3A 251 23.817 21.394 25.050 1.00 0.00 H +ATOM 753 H2 TIP3A 251 22.785 22.492 25.198 1.00 0.00 H +ATOM 754 O1 TIP3A 252 38.391 17.006 36.778 1.00 0.00 O +ATOM 755 H1 TIP3A 252 38.400 17.700 36.120 1.00 0.00 H +ATOM 756 H2 TIP3A 252 38.399 16.193 36.271 1.00 0.00 H +ATOM 757 O1 TIP3A 253 16.024 35.350 5.879 1.00 0.00 O +ATOM 758 H1 TIP3A 253 16.394 35.954 5.236 1.00 0.00 H +ATOM 759 H2 TIP3A 253 16.356 34.490 5.620 1.00 0.00 H +ATOM 760 O1 TIP3A 254 8.025 19.530 33.612 1.00 0.00 O +ATOM 761 H1 TIP3A 254 8.850 19.720 33.166 1.00 0.00 H +ATOM 762 H2 TIP3A 254 7.395 20.136 33.220 1.00 0.00 H +ATOM 763 O1 TIP3A 255 4.521 31.116 5.527 1.00 0.00 O +ATOM 764 H1 TIP3A 255 4.447 31.914 6.048 1.00 0.00 H +ATOM 765 H2 TIP3A 255 4.823 31.417 4.669 1.00 0.00 H +ATOM 766 O1 TIP3A 256 19.776 30.867 5.602 1.00 0.00 O +ATOM 767 H1 TIP3A 256 18.902 31.247 5.682 1.00 0.00 H +ATOM 768 H2 TIP3A 256 20.371 31.585 5.822 1.00 0.00 H +ATOM 769 O1 TIP3A 257 20.022 38.400 24.353 1.00 0.00 O +ATOM 770 H1 TIP3A 257 19.849 37.475 24.183 1.00 0.00 H +ATOM 771 H2 TIP3A 257 20.727 38.397 25.001 1.00 0.00 H +ATOM 772 O1 TIP3A 258 20.461 25.890 38.112 1.00 0.00 O +ATOM 773 H1 TIP3A 258 19.688 26.376 38.398 1.00 0.00 H +ATOM 774 H2 TIP3A 258 20.298 24.990 38.397 1.00 0.00 H +ATOM 775 O1 TIP3A 259 0.405 15.294 8.007 1.00 0.00 O +ATOM 776 H1 TIP3A 259 1.284 15.333 8.382 1.00 0.00 H +ATOM 777 H2 TIP3A 259 0.000 14.532 8.422 1.00 0.00 H +ATOM 778 O1 TIP3A 260 4.747 15.224 24.181 1.00 0.00 O +ATOM 779 H1 TIP3A 260 5.651 14.911 24.176 1.00 0.00 H +ATOM 780 H2 TIP3A 260 4.329 14.737 24.892 1.00 0.00 H +ATOM 781 O1 TIP3A 261 1.515 2.990 22.927 1.00 0.00 O +ATOM 782 H1 TIP3A 261 2.265 3.581 22.871 1.00 0.00 H +ATOM 783 H2 TIP3A 261 0.768 3.522 22.654 1.00 0.00 H +ATOM 784 O1 TIP3A 262 28.659 0.388 2.455 1.00 0.00 O +ATOM 785 H1 TIP3A 262 28.817 0.018 1.587 1.00 0.00 H +ATOM 786 H2 TIP3A 262 27.765 0.120 2.671 1.00 0.00 H +ATOM 787 O1 TIP3A 263 20.756 38.400 27.286 1.00 0.00 O +ATOM 788 H1 TIP3A 263 21.507 37.808 27.292 1.00 0.00 H +ATOM 789 H2 TIP3A 263 20.004 37.831 27.117 1.00 0.00 H +ATOM 790 O1 TIP3A 264 15.440 2.275 5.757 1.00 0.00 O +ATOM 791 H1 TIP3A 264 15.914 2.173 4.932 1.00 0.00 H +ATOM 792 H2 TIP3A 264 15.286 3.218 5.830 1.00 0.00 H +ATOM 793 O1 TIP3A 265 18.708 15.813 32.860 1.00 0.00 O +ATOM 794 H1 TIP3A 265 18.500 15.622 33.773 1.00 0.00 H +ATOM 795 H2 TIP3A 265 18.241 16.627 32.672 1.00 0.00 H +ATOM 796 O1 TIP3A 266 11.743 34.346 18.638 1.00 0.00 O +ATOM 797 H1 TIP3A 266 11.775 34.169 17.699 1.00 0.00 H +ATOM 798 H2 TIP3A 266 10.845 34.640 18.797 1.00 0.00 H +ATOM 799 O1 TIP3A 267 29.876 5.142 16.288 1.00 0.00 O +ATOM 800 H1 TIP3A 267 28.937 4.979 16.373 1.00 0.00 H +ATOM 801 H2 TIP3A 267 29.987 5.440 15.385 1.00 0.00 H +ATOM 802 O1 TIP3A 268 26.324 6.418 24.294 1.00 0.00 O +ATOM 803 H1 TIP3A 268 26.561 5.494 24.227 1.00 0.00 H +ATOM 804 H2 TIP3A 268 25.490 6.486 23.829 1.00 0.00 H +ATOM 805 O1 TIP3A 269 9.393 22.265 14.990 1.00 0.00 O +ATOM 806 H1 TIP3A 269 10.021 21.553 15.109 1.00 0.00 H +ATOM 807 H2 TIP3A 269 9.615 22.897 15.675 1.00 0.00 H +ATOM 808 O1 TIP3A 270 6.131 21.653 29.422 1.00 0.00 O +ATOM 809 H1 TIP3A 270 5.497 22.261 29.801 1.00 0.00 H +ATOM 810 H2 TIP3A 270 6.766 21.502 30.123 1.00 0.00 H +ATOM 811 O1 TIP3A 271 1.413 29.479 0.389 1.00 0.00 O +ATOM 812 H1 TIP3A 271 0.623 29.205 0.853 1.00 0.00 H +ATOM 813 H2 TIP3A 271 2.128 29.042 0.853 1.00 0.00 H +ATOM 814 O1 TIP3A 272 37.734 5.736 3.188 1.00 0.00 O +ATOM 815 H1 TIP3A 272 38.399 5.067 3.346 1.00 0.00 H +ATOM 816 H2 TIP3A 272 37.860 5.990 2.273 1.00 0.00 H +ATOM 817 O1 TIP3A 273 11.770 13.981 27.198 1.00 0.00 O +ATOM 818 H1 TIP3A 273 11.814 13.553 26.343 1.00 0.00 H +ATOM 819 H2 TIP3A 273 12.544 13.664 27.665 1.00 0.00 H +ATOM 820 O1 TIP3A 274 37.563 0.795 4.018 1.00 0.00 O +ATOM 821 H1 TIP3A 274 37.233 0.734 4.914 1.00 0.00 H +ATOM 822 H2 TIP3A 274 38.363 1.316 4.092 1.00 0.00 H +ATOM 823 O1 TIP3A 275 11.082 2.052 19.013 1.00 0.00 O +ATOM 824 H1 TIP3A 275 11.536 2.743 19.495 1.00 0.00 H +ATOM 825 H2 TIP3A 275 11.784 1.497 18.672 1.00 0.00 H +ATOM 826 O1 TIP3A 276 8.970 23.944 32.262 1.00 0.00 O +ATOM 827 H1 TIP3A 276 9.868 24.217 32.445 1.00 0.00 H +ATOM 828 H2 TIP3A 276 8.428 24.534 32.787 1.00 0.00 H +ATOM 829 O1 TIP3A 277 35.235 23.594 4.030 1.00 0.00 O +ATOM 830 H1 TIP3A 277 35.777 24.351 3.813 1.00 0.00 H +ATOM 831 H2 TIP3A 277 35.271 23.040 3.250 1.00 0.00 H +ATOM 832 O1 TIP3A 278 29.954 2.248 11.330 1.00 0.00 O +ATOM 833 H1 TIP3A 278 30.753 2.406 11.833 1.00 0.00 H +ATOM 834 H2 TIP3A 278 29.272 2.135 11.992 1.00 0.00 H +ATOM 835 O1 TIP3A 279 1.538 12.715 27.231 1.00 0.00 O +ATOM 836 H1 TIP3A 279 1.874 12.816 28.122 1.00 0.00 H +ATOM 837 H2 TIP3A 279 2.294 12.420 26.722 1.00 0.00 H +ATOM 838 O1 TIP3A 280 38.393 23.577 12.683 1.00 0.00 O +ATOM 839 H1 TIP3A 280 37.925 23.080 12.013 1.00 0.00 H +ATOM 840 H2 TIP3A 280 37.785 24.271 12.937 1.00 0.00 H +ATOM 841 O1 TIP3A 281 12.505 24.786 33.267 1.00 0.00 O +ATOM 842 H1 TIP3A 281 12.182 25.488 33.831 1.00 0.00 H +ATOM 843 H2 TIP3A 281 13.241 24.409 33.750 1.00 0.00 H +ATOM 844 O1 TIP3A 282 2.380 28.040 36.546 1.00 0.00 O +ATOM 845 H1 TIP3A 282 2.845 27.205 36.585 1.00 0.00 H +ATOM 846 H2 TIP3A 282 2.127 28.131 35.627 1.00 0.00 H +ATOM 847 O1 TIP3A 283 37.117 18.956 2.493 1.00 0.00 O +ATOM 848 H1 TIP3A 283 38.073 18.971 2.510 1.00 0.00 H +ATOM 849 H2 TIP3A 283 36.897 18.592 1.635 1.00 0.00 H +ATOM 850 O1 TIP3A 284 21.714 24.111 36.977 1.00 0.00 O +ATOM 851 H1 TIP3A 284 21.664 23.314 37.504 1.00 0.00 H +ATOM 852 H2 TIP3A 284 21.125 23.948 36.239 1.00 0.00 H +ATOM 853 O1 TIP3A 285 37.643 11.058 6.364 1.00 0.00 O +ATOM 854 H1 TIP3A 285 37.428 11.975 6.527 1.00 0.00 H +ATOM 855 H2 TIP3A 285 38.399 11.089 5.777 1.00 0.00 H +ATOM 856 O1 TIP3A 286 38.399 11.677 20.598 1.00 0.00 O +ATOM 857 H1 TIP3A 286 37.838 11.444 19.860 1.00 0.00 H +ATOM 858 H2 TIP3A 286 38.318 10.939 21.204 1.00 0.00 H +ATOM 859 O1 TIP3A 287 38.263 22.741 26.827 1.00 0.00 O +ATOM 860 H1 TIP3A 287 38.337 21.789 26.756 1.00 0.00 H +ATOM 861 H2 TIP3A 287 38.404 23.059 25.934 1.00 0.00 H +ATOM 862 O1 TIP3A 288 4.326 12.188 16.335 1.00 0.00 O +ATOM 863 H1 TIP3A 288 3.595 12.736 16.053 1.00 0.00 H +ATOM 864 H2 TIP3A 288 3.943 11.585 16.972 1.00 0.00 H +ATOM 865 O1 TIP3A 289 33.432 21.193 24.341 1.00 0.00 O +ATOM 866 H1 TIP3A 289 34.290 20.865 24.608 1.00 0.00 H +ATOM 867 H2 TIP3A 289 33.433 22.112 24.612 1.00 0.00 H +ATOM 868 O1 TIP3A 290 7.849 13.694 5.426 1.00 0.00 O +ATOM 869 H1 TIP3A 290 8.541 13.496 4.797 1.00 0.00 H +ATOM 870 H2 TIP3A 290 7.859 12.954 6.035 1.00 0.00 H +ATOM 871 O1 TIP3A 291 3.701 25.044 29.033 1.00 0.00 O +ATOM 872 H1 TIP3A 291 3.727 24.121 29.284 1.00 0.00 H +ATOM 873 H2 TIP3A 291 3.189 25.058 28.224 1.00 0.00 H +ATOM 874 O1 TIP3A 292 10.418 9.725 27.188 1.00 0.00 O +ATOM 875 H1 TIP3A 292 10.009 8.974 26.759 1.00 0.00 H +ATOM 876 H2 TIP3A 292 11.160 9.949 26.625 1.00 0.00 H +ATOM 877 O1 TIP3A 293 30.890 7.651 33.219 1.00 0.00 O +ATOM 878 H1 TIP3A 293 30.972 8.513 33.628 1.00 0.00 H +ATOM 879 H2 TIP3A 293 31.793 7.349 33.113 1.00 0.00 H +ATOM 880 O1 TIP3A 294 25.730 0.544 19.573 1.00 0.00 O +ATOM 881 H1 TIP3A 294 26.001 1.460 19.623 1.00 0.00 H +ATOM 882 H2 TIP3A 294 26.535 0.066 19.374 1.00 0.00 H +ATOM 883 O1 TIP3A 295 12.705 21.719 5.668 1.00 0.00 O +ATOM 884 H1 TIP3A 295 13.555 22.058 5.389 1.00 0.00 H +ATOM 885 H2 TIP3A 295 12.362 22.389 6.260 1.00 0.00 H +ATOM 886 O1 TIP3A 296 20.070 33.861 30.693 1.00 0.00 O +ATOM 887 H1 TIP3A 296 19.146 34.002 30.488 1.00 0.00 H +ATOM 888 H2 TIP3A 296 20.543 34.312 29.993 1.00 0.00 H +ATOM 889 O1 TIP3A 297 16.364 18.644 16.080 1.00 0.00 O +ATOM 890 H1 TIP3A 297 17.235 18.451 15.735 1.00 0.00 H +ATOM 891 H2 TIP3A 297 16.487 18.697 17.028 1.00 0.00 H +ATOM 892 O1 TIP3A 298 14.531 36.160 33.323 1.00 0.00 O +ATOM 893 H1 TIP3A 298 13.900 36.509 33.952 1.00 0.00 H +ATOM 894 H2 TIP3A 298 15.274 35.881 33.859 1.00 0.00 H +ATOM 895 O1 TIP3A 299 20.378 34.857 17.988 1.00 0.00 O +ATOM 896 H1 TIP3A 299 19.799 34.099 17.918 1.00 0.00 H +ATOM 897 H2 TIP3A 299 19.951 35.534 17.462 1.00 0.00 H +ATOM 898 O1 TIP3A 300 32.822 3.798 3.020 1.00 0.00 O +ATOM 899 H1 TIP3A 300 31.930 4.137 3.077 1.00 0.00 H +ATOM 900 H2 TIP3A 300 33.362 4.570 2.847 1.00 0.00 H +ATOM 901 O1 TIP3A 301 9.641 11.878 23.167 1.00 0.00 O +ATOM 902 H1 TIP3A 301 10.158 11.577 22.421 1.00 0.00 H +ATOM 903 H2 TIP3A 301 9.855 12.808 23.249 1.00 0.00 H +ATOM 904 O1 TIP3A 302 17.198 14.843 21.116 1.00 0.00 O +ATOM 905 H1 TIP3A 302 16.255 14.940 20.987 1.00 0.00 H +ATOM 906 H2 TIP3A 302 17.475 14.246 20.420 1.00 0.00 H +ATOM 907 O1 TIP3A 303 8.889 23.900 5.178 1.00 0.00 O +ATOM 908 H1 TIP3A 303 8.071 24.390 5.248 1.00 0.00 H +ATOM 909 H2 TIP3A 303 8.682 23.035 5.533 1.00 0.00 H +ATOM 910 O1 TIP3A 304 4.679 7.375 34.267 1.00 0.00 O +ATOM 911 H1 TIP3A 304 4.958 7.530 33.365 1.00 0.00 H +ATOM 912 H2 TIP3A 304 4.544 6.429 34.317 1.00 0.00 H +ATOM 913 O1 TIP3A 305 4.078 21.813 23.193 1.00 0.00 O +ATOM 914 H1 TIP3A 305 3.690 22.199 23.978 1.00 0.00 H +ATOM 915 H2 TIP3A 305 3.469 22.036 22.489 1.00 0.00 H +ATOM 916 O1 TIP3A 306 9.013 26.517 31.547 1.00 0.00 O +ATOM 917 H1 TIP3A 306 9.931 26.269 31.659 1.00 0.00 H +ATOM 918 H2 TIP3A 306 8.962 27.409 31.891 1.00 0.00 H +ATOM 919 O1 TIP3A 307 21.859 14.711 14.412 1.00 0.00 O +ATOM 920 H1 TIP3A 307 22.780 14.961 14.465 1.00 0.00 H +ATOM 921 H2 TIP3A 307 21.387 15.543 14.357 1.00 0.00 H +ATOM 922 O1 TIP3A 308 36.501 16.870 35.382 1.00 0.00 O +ATOM 923 H1 TIP3A 308 36.608 17.632 34.813 1.00 0.00 H +ATOM 924 H2 TIP3A 308 35.817 17.127 36.002 1.00 0.00 H +ATOM 925 O1 TIP3A 309 3.463 15.213 8.093 1.00 0.00 O +ATOM 926 H1 TIP3A 309 4.397 15.396 8.191 1.00 0.00 H +ATOM 927 H2 TIP3A 309 3.407 14.659 7.314 1.00 0.00 H +ATOM 928 O1 TIP3A 310 34.647 3.548 4.523 1.00 0.00 O +ATOM 929 H1 TIP3A 310 35.533 3.879 4.375 1.00 0.00 H +ATOM 930 H2 TIP3A 310 34.564 2.806 3.924 1.00 0.00 H +ATOM 931 O1 TIP3A 311 11.448 30.820 16.514 1.00 0.00 O +ATOM 932 H1 TIP3A 311 11.049 30.201 17.124 1.00 0.00 H +ATOM 933 H2 TIP3A 311 10.821 31.542 16.459 1.00 0.00 H +ATOM 934 O1 TIP3A 312 12.565 37.919 13.869 1.00 0.00 O +ATOM 935 H1 TIP3A 312 11.611 37.881 13.818 1.00 0.00 H +ATOM 936 H2 TIP3A 312 12.838 38.254 13.014 1.00 0.00 H +ATOM 937 O1 TIP3A 313 0.916 37.321 21.342 1.00 0.00 O +ATOM 938 H1 TIP3A 313 0.446 36.827 20.671 1.00 0.00 H +ATOM 939 H2 TIP3A 313 1.613 37.772 20.863 1.00 0.00 H +ATOM 940 O1 TIP3A 314 26.829 33.632 18.984 1.00 0.00 O +ATOM 941 H1 TIP3A 314 26.040 33.205 19.316 1.00 0.00 H +ATOM 942 H2 TIP3A 314 26.657 33.764 18.051 1.00 0.00 H +ATOM 943 O1 TIP3A 315 24.702 7.134 5.588 1.00 0.00 O +ATOM 944 H1 TIP3A 315 24.816 6.635 6.397 1.00 0.00 H +ATOM 945 H2 TIP3A 315 25.207 7.936 5.728 1.00 0.00 H +ATOM 946 O1 TIP3A 316 32.275 19.697 25.463 1.00 0.00 O +ATOM 947 H1 TIP3A 316 31.522 20.266 25.618 1.00 0.00 H +ATOM 948 H2 TIP3A 316 32.248 19.062 26.180 1.00 0.00 H +ATOM 949 O1 TIP3A 317 7.817 20.233 27.576 1.00 0.00 O +ATOM 950 H1 TIP3A 317 8.506 20.846 27.831 1.00 0.00 H +ATOM 951 H2 TIP3A 317 7.299 20.108 28.372 1.00 0.00 H +ATOM 952 O1 TIP3A 318 6.651 28.832 15.133 1.00 0.00 O +ATOM 953 H1 TIP3A 318 7.285 28.137 14.960 1.00 0.00 H +ATOM 954 H2 TIP3A 318 7.165 29.528 15.546 1.00 0.00 H +ATOM 955 O1 TIP3A 319 36.438 1.647 11.581 1.00 0.00 O +ATOM 956 H1 TIP3A 319 35.657 2.187 11.469 1.00 0.00 H +ATOM 957 H2 TIP3A 319 36.246 1.101 12.344 1.00 0.00 H +ATOM 958 O1 TIP3A 320 36.375 34.494 3.134 1.00 0.00 O +ATOM 959 H1 TIP3A 320 35.794 33.852 3.539 1.00 0.00 H +ATOM 960 H2 TIP3A 320 36.047 35.341 3.439 1.00 0.00 H +ATOM 961 O1 TIP3A 321 19.871 18.902 23.367 1.00 0.00 O +ATOM 962 H1 TIP3A 321 19.605 18.372 22.616 1.00 0.00 H +ATOM 963 H2 TIP3A 321 20.779 18.645 23.533 1.00 0.00 H +ATOM 964 O1 TIP3A 322 16.915 29.682 7.922 1.00 0.00 O +ATOM 965 H1 TIP3A 322 16.647 30.219 8.667 1.00 0.00 H +ATOM 966 H2 TIP3A 322 17.869 29.761 7.899 1.00 0.00 H +ATOM 967 O1 TIP3A 323 23.129 34.823 29.513 1.00 0.00 O +ATOM 968 H1 TIP3A 323 22.429 35.093 28.920 1.00 0.00 H +ATOM 969 H2 TIP3A 323 22.735 34.139 30.055 1.00 0.00 H +ATOM 970 O1 TIP3A 324 3.527 16.862 3.990 1.00 0.00 O +ATOM 971 H1 TIP3A 324 3.315 16.219 3.314 1.00 0.00 H +ATOM 972 H2 TIP3A 324 3.136 16.508 4.789 1.00 0.00 H +ATOM 973 O1 TIP3A 325 3.442 9.155 37.416 1.00 0.00 O +ATOM 974 H1 TIP3A 325 3.042 8.541 38.030 1.00 0.00 H +ATOM 975 H2 TIP3A 325 2.703 9.641 37.047 1.00 0.00 H +ATOM 976 O1 TIP3A 326 30.207 29.049 16.284 1.00 0.00 O +ATOM 977 H1 TIP3A 326 29.464 28.473 16.457 1.00 0.00 H +ATOM 978 H2 TIP3A 326 30.185 29.690 16.995 1.00 0.00 H +ATOM 979 O1 TIP3A 327 17.553 17.021 27.311 1.00 0.00 O +ATOM 980 H1 TIP3A 327 16.978 17.248 26.581 1.00 0.00 H +ATOM 981 H2 TIP3A 327 17.835 17.865 27.665 1.00 0.00 H +ATOM 982 O1 TIP3A 328 11.742 34.541 10.754 1.00 0.00 O +ATOM 983 H1 TIP3A 328 11.048 34.202 11.319 1.00 0.00 H +ATOM 984 H2 TIP3A 328 12.554 34.258 11.175 1.00 0.00 H +ATOM 985 O1 TIP3A 329 23.575 13.505 35.089 1.00 0.00 O +ATOM 986 H1 TIP3A 329 23.590 14.437 34.873 1.00 0.00 H +ATOM 987 H2 TIP3A 329 23.915 13.071 34.307 1.00 0.00 H +ATOM 988 O1 TIP3A 330 6.159 20.197 11.648 1.00 0.00 O +ATOM 989 H1 TIP3A 330 6.530 21.022 11.337 1.00 0.00 H +ATOM 990 H2 TIP3A 330 5.217 20.360 11.697 1.00 0.00 H +ATOM 991 O1 TIP3A 331 18.282 34.938 36.122 1.00 0.00 O +ATOM 992 H1 TIP3A 331 18.138 34.071 36.499 1.00 0.00 H +ATOM 993 H2 TIP3A 331 19.223 35.088 36.217 1.00 0.00 H +ATOM 994 O1 TIP3A 332 38.113 10.290 18.009 1.00 0.00 O +ATOM 995 H1 TIP3A 332 38.162 9.508 18.558 1.00 0.00 H +ATOM 996 H2 TIP3A 332 38.399 9.995 17.144 1.00 0.00 H +ATOM 997 O1 TIP3A 333 16.321 7.668 5.103 1.00 0.00 O +ATOM 998 H1 TIP3A 333 16.817 6.850 5.125 1.00 0.00 H +ATOM 999 H2 TIP3A 333 15.504 7.466 5.561 1.00 0.00 H +ATOM 1000 O1 TIP3A 334 9.634 10.213 33.567 1.00 0.00 O +ATOM 1001 H1 TIP3A 334 10.143 10.207 32.757 1.00 0.00 H +ATOM 1002 H2 TIP3A 334 10.141 9.672 34.173 1.00 0.00 H +ATOM 1003 O1 TIP3A 335 16.922 24.269 35.808 1.00 0.00 O +ATOM 1004 H1 TIP3A 335 16.207 24.714 36.261 1.00 0.00 H +ATOM 1005 H2 TIP3A 335 16.790 23.341 36.003 1.00 0.00 H +ATOM 1006 O1 TIP3A 336 15.248 28.924 16.218 1.00 0.00 O +ATOM 1007 H1 TIP3A 336 15.461 28.002 16.077 1.00 0.00 H +ATOM 1008 H2 TIP3A 336 15.808 29.191 16.948 1.00 0.00 H +ATOM 1009 O1 TIP3A 337 28.350 38.226 24.824 1.00 0.00 O +ATOM 1010 H1 TIP3A 337 27.435 38.401 24.606 1.00 0.00 H +ATOM 1011 H2 TIP3A 337 28.323 37.424 25.347 1.00 0.00 H +ATOM 1012 O1 TIP3A 338 0.202 26.123 32.010 1.00 0.00 O +ATOM 1013 H1 TIP3A 338 1.115 26.158 31.728 1.00 0.00 H +ATOM 1014 H2 TIP3A 338 0.000 25.188 32.052 1.00 0.00 H +ATOM 1015 O1 TIP3A 339 36.760 32.743 13.640 1.00 0.00 O +ATOM 1016 H1 TIP3A 339 37.569 33.093 14.011 1.00 0.00 H +ATOM 1017 H2 TIP3A 339 36.982 31.847 13.383 1.00 0.00 H +ATOM 1018 O1 TIP3A 340 16.795 13.729 27.488 1.00 0.00 O +ATOM 1019 H1 TIP3A 340 17.437 13.093 27.801 1.00 0.00 H +ATOM 1020 H2 TIP3A 340 16.412 13.322 26.711 1.00 0.00 H +ATOM 1021 O1 TIP3A 341 7.240 31.320 4.222 1.00 0.00 O +ATOM 1022 H1 TIP3A 341 7.869 30.599 4.200 1.00 0.00 H +ATOM 1023 H2 TIP3A 341 7.564 31.901 4.910 1.00 0.00 H +ATOM 1024 O1 TIP3A 342 36.288 16.478 13.116 1.00 0.00 O +ATOM 1025 H1 TIP3A 342 35.369 16.281 13.296 1.00 0.00 H +ATOM 1026 H2 TIP3A 342 36.758 15.685 13.376 1.00 0.00 H +ATOM 1027 O1 TIP3A 343 10.225 5.393 34.828 1.00 0.00 O +ATOM 1028 H1 TIP3A 343 10.908 5.219 34.182 1.00 0.00 H +ATOM 1029 H2 TIP3A 343 9.939 4.526 35.115 1.00 0.00 H +ATOM 1030 O1 TIP3A 344 11.948 1.595 16.414 1.00 0.00 O +ATOM 1031 H1 TIP3A 344 12.426 1.483 15.592 1.00 0.00 H +ATOM 1032 H2 TIP3A 344 11.040 1.385 16.194 1.00 0.00 H +ATOM 1033 O1 TIP3A 345 14.172 27.047 36.579 1.00 0.00 O +ATOM 1034 H1 TIP3A 345 14.415 26.122 36.553 1.00 0.00 H +ATOM 1035 H2 TIP3A 345 14.727 27.421 37.264 1.00 0.00 H +ATOM 1036 O1 TIP3A 346 28.543 19.113 24.402 1.00 0.00 O +ATOM 1037 H1 TIP3A 346 29.296 18.657 24.027 1.00 0.00 H +ATOM 1038 H2 TIP3A 346 28.780 20.041 24.363 1.00 0.00 H +ATOM 1039 O1 TIP3A 347 37.082 32.491 37.516 1.00 0.00 O +ATOM 1040 H1 TIP3A 347 36.673 32.430 38.378 1.00 0.00 H +ATOM 1041 H2 TIP3A 347 36.564 33.148 37.050 1.00 0.00 H +ATOM 1042 O1 TIP3A 348 19.211 9.104 19.856 1.00 0.00 O +ATOM 1043 H1 TIP3A 348 19.453 9.633 19.097 1.00 0.00 H +ATOM 1044 H2 TIP3A 348 19.482 8.215 19.626 1.00 0.00 H +ATOM 1045 O1 TIP3A 349 30.057 37.790 16.482 1.00 0.00 O +ATOM 1046 H1 TIP3A 349 30.478 37.281 15.790 1.00 0.00 H +ATOM 1047 H2 TIP3A 349 29.478 38.395 16.017 1.00 0.00 H +ATOM 1048 O1 TIP3A 350 23.417 5.697 9.015 1.00 0.00 O +ATOM 1049 H1 TIP3A 350 24.120 6.323 9.183 1.00 0.00 H +ATOM 1050 H2 TIP3A 350 22.620 6.228 9.009 1.00 0.00 H +ATOM 1051 O1 TIP3A 351 21.859 14.636 22.016 1.00 0.00 O +ATOM 1052 H1 TIP3A 351 22.534 14.717 22.689 1.00 0.00 H +ATOM 1053 H2 TIP3A 351 21.315 15.417 22.127 1.00 0.00 H +ATOM 1054 O1 TIP3A 352 26.248 23.707 31.033 1.00 0.00 O +ATOM 1055 H1 TIP3A 352 25.877 22.916 31.423 1.00 0.00 H +ATOM 1056 H2 TIP3A 352 26.127 23.590 30.090 1.00 0.00 H +ATOM 1057 O1 TIP3A 353 9.245 2.673 25.949 1.00 0.00 O +ATOM 1058 H1 TIP3A 353 9.631 3.270 25.309 1.00 0.00 H +ATOM 1059 H2 TIP3A 353 8.604 3.207 26.419 1.00 0.00 H +ATOM 1060 O1 TIP3A 354 11.995 4.176 23.753 1.00 0.00 O +ATOM 1061 H1 TIP3A 354 12.502 3.373 23.867 1.00 0.00 H +ATOM 1062 H2 TIP3A 354 11.609 4.340 24.614 1.00 0.00 H +ATOM 1063 O1 TIP3A 355 33.204 7.999 18.613 1.00 0.00 O +ATOM 1064 H1 TIP3A 355 34.084 7.629 18.673 1.00 0.00 H +ATOM 1065 H2 TIP3A 355 33.133 8.574 19.376 1.00 0.00 H +ATOM 1066 O1 TIP3A 356 7.325 11.933 28.295 1.00 0.00 O +ATOM 1067 H1 TIP3A 356 6.449 12.266 28.488 1.00 0.00 H +ATOM 1068 H2 TIP3A 356 7.441 11.199 28.899 1.00 0.00 H +ATOM 1069 O1 TIP3A 357 31.019 20.575 7.334 1.00 0.00 O +ATOM 1070 H1 TIP3A 357 31.755 20.524 7.942 1.00 0.00 H +ATOM 1071 H2 TIP3A 357 31.310 21.183 6.654 1.00 0.00 H +ATOM 1072 O1 TIP3A 358 16.963 1.239 14.598 1.00 0.00 O +ATOM 1073 H1 TIP3A 358 17.812 1.637 14.413 1.00 0.00 H +ATOM 1074 H2 TIP3A 358 16.840 0.598 13.897 1.00 0.00 H +ATOM 1075 O1 TIP3A 359 16.086 5.305 11.716 1.00 0.00 O +ATOM 1076 H1 TIP3A 359 15.706 5.426 12.585 1.00 0.00 H +ATOM 1077 H2 TIP3A 359 16.637 4.526 11.801 1.00 0.00 H +ATOM 1078 O1 TIP3A 360 16.246 24.557 21.346 1.00 0.00 O +ATOM 1079 H1 TIP3A 360 16.842 23.809 21.372 1.00 0.00 H +ATOM 1080 H2 TIP3A 360 16.582 25.156 22.014 1.00 0.00 H +ATOM 1081 O1 TIP3A 361 6.738 10.997 11.272 1.00 0.00 O +ATOM 1082 H1 TIP3A 361 6.588 11.183 12.198 1.00 0.00 H +ATOM 1083 H2 TIP3A 361 7.153 11.790 10.931 1.00 0.00 H +ATOM 1084 O1 TIP3A 362 21.595 0.359 15.705 1.00 0.00 O +ATOM 1085 H1 TIP3A 362 20.713 0.005 15.598 1.00 0.00 H +ATOM 1086 H2 TIP3A 362 21.899 0.000 16.539 1.00 0.00 H +ATOM 1087 O1 TIP3A 363 13.440 9.749 27.033 1.00 0.00 O +ATOM 1088 H1 TIP3A 363 14.095 10.323 27.429 1.00 0.00 H +ATOM 1089 H2 TIP3A 363 12.950 9.396 27.776 1.00 0.00 H +ATOM 1090 O1 TIP3A 364 33.246 34.807 21.783 1.00 0.00 O +ATOM 1091 H1 TIP3A 364 32.386 34.388 21.782 1.00 0.00 H +ATOM 1092 H2 TIP3A 364 33.216 35.417 21.045 1.00 0.00 H +ATOM 1093 O1 TIP3A 365 37.227 23.180 28.717 1.00 0.00 O +ATOM 1094 H1 TIP3A 365 37.294 23.726 29.499 1.00 0.00 H +ATOM 1095 H2 TIP3A 365 36.312 23.261 28.445 1.00 0.00 H +ATOM 1096 O1 TIP3A 366 12.484 33.996 33.766 1.00 0.00 O +ATOM 1097 H1 TIP3A 366 12.890 34.688 33.246 1.00 0.00 H +ATOM 1098 H2 TIP3A 366 12.767 33.183 33.347 1.00 0.00 H +ATOM 1099 O1 TIP3A 367 33.232 36.058 11.347 1.00 0.00 O +ATOM 1100 H1 TIP3A 367 32.952 36.777 11.913 1.00 0.00 H +ATOM 1101 H2 TIP3A 367 33.488 36.483 10.528 1.00 0.00 H +ATOM 1102 O1 TIP3A 368 0.502 25.413 29.423 1.00 0.00 O +ATOM 1103 H1 TIP3A 368 0.001 26.151 29.769 1.00 0.00 H +ATOM 1104 H2 TIP3A 368 1.350 25.790 29.185 1.00 0.00 H +ATOM 1105 O1 TIP3A 369 20.536 4.358 8.788 1.00 0.00 O +ATOM 1106 H1 TIP3A 369 21.327 4.058 8.342 1.00 0.00 H +ATOM 1107 H2 TIP3A 369 19.917 3.633 8.694 1.00 0.00 H +ATOM 1108 O1 TIP3A 370 27.417 29.691 15.436 1.00 0.00 O +ATOM 1109 H1 TIP3A 370 27.460 28.748 15.592 1.00 0.00 H +ATOM 1110 H2 TIP3A 370 27.934 30.075 16.144 1.00 0.00 H +ATOM 1111 O1 TIP3A 371 20.064 1.578 10.676 1.00 0.00 O +ATOM 1112 H1 TIP3A 371 20.412 0.691 10.593 1.00 0.00 H +ATOM 1113 H2 TIP3A 371 19.296 1.589 10.103 1.00 0.00 H +ATOM 1114 O1 TIP3A 372 9.880 36.747 7.376 1.00 0.00 O +ATOM 1115 H1 TIP3A 372 9.337 37.163 8.044 1.00 0.00 H +ATOM 1116 H2 TIP3A 372 9.718 35.809 7.485 1.00 0.00 H +ATOM 1117 O1 TIP3A 373 16.656 31.913 5.646 1.00 0.00 O +ATOM 1118 H1 TIP3A 373 15.812 32.362 5.617 1.00 0.00 H +ATOM 1119 H2 TIP3A 373 16.432 30.983 5.700 1.00 0.00 H +ATOM 1120 O1 TIP3A 374 13.076 34.504 8.581 1.00 0.00 O +ATOM 1121 H1 TIP3A 374 12.880 35.398 8.859 1.00 0.00 H +ATOM 1122 H2 TIP3A 374 12.244 34.037 8.672 1.00 0.00 H +ATOM 1123 O1 TIP3A 375 37.706 3.755 7.360 1.00 0.00 O +ATOM 1124 H1 TIP3A 375 37.950 3.504 6.469 1.00 0.00 H +ATOM 1125 H2 TIP3A 375 38.045 4.645 7.460 1.00 0.00 H +ATOM 1126 O1 TIP3A 376 7.219 15.775 35.374 1.00 0.00 O +ATOM 1127 H1 TIP3A 376 6.996 15.327 36.189 1.00 0.00 H +ATOM 1128 H2 TIP3A 376 8.157 15.616 35.261 1.00 0.00 H +ATOM 1129 O1 TIP3A 377 32.726 6.101 13.693 1.00 0.00 O +ATOM 1130 H1 TIP3A 377 33.497 6.467 13.262 1.00 0.00 H +ATOM 1131 H2 TIP3A 377 32.711 6.518 14.555 1.00 0.00 H +ATOM 1132 O1 TIP3A 378 14.852 37.960 6.657 1.00 0.00 O +ATOM 1133 H1 TIP3A 378 15.412 38.305 5.963 1.00 0.00 H +ATOM 1134 H2 TIP3A 378 15.150 38.407 7.450 1.00 0.00 H +ATOM 1135 O1 TIP3A 379 28.591 33.298 27.151 1.00 0.00 O +ATOM 1136 H1 TIP3A 379 28.092 34.113 27.124 1.00 0.00 H +ATOM 1137 H2 TIP3A 379 28.022 32.683 27.615 1.00 0.00 H +ATOM 1138 O1 TIP3A 380 12.993 0.000 6.224 1.00 0.00 O +ATOM 1139 H1 TIP3A 380 12.848 0.791 5.706 1.00 0.00 H +ATOM 1140 H2 TIP3A 380 12.784 0.260 7.122 1.00 0.00 H +ATOM 1141 O1 TIP3A 381 9.086 3.780 19.633 1.00 0.00 O +ATOM 1142 H1 TIP3A 381 9.632 3.698 18.852 1.00 0.00 H +ATOM 1143 H2 TIP3A 381 9.587 4.349 20.218 1.00 0.00 H +ATOM 1144 O1 TIP3A 382 21.758 17.929 21.697 1.00 0.00 O +ATOM 1145 H1 TIP3A 382 21.512 18.811 21.421 1.00 0.00 H +ATOM 1146 H2 TIP3A 382 22.682 17.851 21.459 1.00 0.00 H +ATOM 1147 O1 TIP3A 383 14.792 7.021 2.842 1.00 0.00 O +ATOM 1148 H1 TIP3A 383 15.707 6.957 3.114 1.00 0.00 H +ATOM 1149 H2 TIP3A 383 14.322 7.276 3.637 1.00 0.00 H +ATOM 1150 O1 TIP3A 384 16.164 24.824 30.530 1.00 0.00 O +ATOM 1151 H1 TIP3A 384 15.650 25.573 30.232 1.00 0.00 H +ATOM 1152 H2 TIP3A 384 16.587 25.127 31.334 1.00 0.00 H +ATOM 1153 O1 TIP3A 385 15.052 27.077 2.249 1.00 0.00 O +ATOM 1154 H1 TIP3A 385 15.152 26.378 2.894 1.00 0.00 H +ATOM 1155 H2 TIP3A 385 15.942 27.399 2.103 1.00 0.00 H +ATOM 1156 O1 TIP3A 386 22.108 13.596 18.296 1.00 0.00 O +ATOM 1157 H1 TIP3A 386 22.512 14.393 17.954 1.00 0.00 H +ATOM 1158 H2 TIP3A 386 22.085 13.726 19.245 1.00 0.00 H +ATOM 1159 O1 TIP3A 387 13.167 3.026 36.261 1.00 0.00 O +ATOM 1160 H1 TIP3A 387 12.723 3.862 36.122 1.00 0.00 H +ATOM 1161 H2 TIP3A 387 12.586 2.539 36.846 1.00 0.00 H +ATOM 1162 O1 TIP3A 388 18.055 32.577 15.825 1.00 0.00 O +ATOM 1163 H1 TIP3A 388 17.495 33.297 16.113 1.00 0.00 H +ATOM 1164 H2 TIP3A 388 17.816 32.438 14.908 1.00 0.00 H +ATOM 1165 O1 TIP3A 389 13.654 2.999 7.289 1.00 0.00 O +ATOM 1166 H1 TIP3A 389 12.880 2.458 7.141 1.00 0.00 H +ATOM 1167 H2 TIP3A 389 14.308 2.392 7.639 1.00 0.00 H +ATOM 1168 O1 TIP3A 390 1.070 17.038 24.464 1.00 0.00 O +ATOM 1169 H1 TIP3A 390 1.758 16.869 25.107 1.00 0.00 H +ATOM 1170 H2 TIP3A 390 1.374 17.809 23.984 1.00 0.00 H +ATOM 1171 O1 TIP3A 391 14.443 18.359 33.402 1.00 0.00 O +ATOM 1172 H1 TIP3A 391 13.562 18.694 33.237 1.00 0.00 H +ATOM 1173 H2 TIP3A 391 14.429 18.092 34.322 1.00 0.00 H +ATOM 1174 O1 TIP3A 392 18.309 0.554 33.328 1.00 0.00 O +ATOM 1175 H1 TIP3A 392 19.135 0.958 33.064 1.00 0.00 H +ATOM 1176 H2 TIP3A 392 18.065 0.000 32.586 1.00 0.00 H +ATOM 1177 O1 TIP3A 393 37.828 25.066 7.021 1.00 0.00 O +ATOM 1178 H1 TIP3A 393 38.400 24.325 7.220 1.00 0.00 H +ATOM 1179 H2 TIP3A 393 37.345 24.794 6.241 1.00 0.00 H +ATOM 1180 O1 TIP3A 394 11.900 2.970 5.239 1.00 0.00 O +ATOM 1181 H1 TIP3A 394 12.418 2.872 4.441 1.00 0.00 H +ATOM 1182 H2 TIP3A 394 11.368 3.751 5.086 1.00 0.00 H +ATOM 1183 O1 TIP3A 395 25.774 7.748 29.054 1.00 0.00 O +ATOM 1184 H1 TIP3A 395 25.141 7.492 28.384 1.00 0.00 H +ATOM 1185 H2 TIP3A 395 25.668 8.696 29.136 1.00 0.00 H +ATOM 1186 O1 TIP3A 396 12.642 9.899 24.170 1.00 0.00 O +ATOM 1187 H1 TIP3A 396 12.593 9.155 23.570 1.00 0.00 H +ATOM 1188 H2 TIP3A 396 13.263 9.623 24.845 1.00 0.00 H +ATOM 1189 O1 TIP3A 397 7.829 35.882 32.335 1.00 0.00 O +ATOM 1190 H1 TIP3A 397 7.584 36.784 32.539 1.00 0.00 H +ATOM 1191 H2 TIP3A 397 8.007 35.483 33.187 1.00 0.00 H +ATOM 1192 O1 TIP3A 398 13.568 9.766 34.407 1.00 0.00 O +ATOM 1193 H1 TIP3A 398 14.117 9.989 35.157 1.00 0.00 H +ATOM 1194 H2 TIP3A 398 14.186 9.634 33.687 1.00 0.00 H +ATOM 1195 O1 TIP3A 399 26.788 10.862 24.669 1.00 0.00 O +ATOM 1196 H1 TIP3A 399 27.173 10.337 23.969 1.00 0.00 H +ATOM 1197 H2 TIP3A 399 26.503 11.668 24.237 1.00 0.00 H +ATOM 1198 O1 TIP3A 400 28.733 26.554 31.001 1.00 0.00 O +ATOM 1199 H1 TIP3A 400 28.337 25.767 31.373 1.00 0.00 H +ATOM 1200 H2 TIP3A 400 29.496 26.724 31.554 1.00 0.00 H +ATOM 1201 O1 TIP3A 401 23.983 36.735 10.123 1.00 0.00 O +ATOM 1202 H1 TIP3A 401 23.800 35.809 9.967 1.00 0.00 H +ATOM 1203 H2 TIP3A 401 23.130 37.116 10.332 1.00 0.00 H +ATOM 1204 O1 TIP3A 402 10.017 0.515 5.149 1.00 0.00 O +ATOM 1205 H1 TIP3A 402 10.379 1.383 5.325 1.00 0.00 H +ATOM 1206 H2 TIP3A 402 10.764 0.001 4.841 1.00 0.00 H +ATOM 1207 O1 TIP3A 403 2.763 9.751 8.986 1.00 0.00 O +ATOM 1208 H1 TIP3A 403 2.178 10.412 9.357 1.00 0.00 H +ATOM 1209 H2 TIP3A 403 2.822 9.077 9.663 1.00 0.00 H +ATOM 1210 O1 TIP3A 404 7.008 7.698 37.734 1.00 0.00 O +ATOM 1211 H1 TIP3A 404 6.874 7.024 38.399 1.00 0.00 H +ATOM 1212 H2 TIP3A 404 6.287 7.574 37.117 1.00 0.00 H +ATOM 1213 O1 TIP3A 405 14.357 19.557 6.246 1.00 0.00 O +ATOM 1214 H1 TIP3A 405 13.412 19.700 6.255 1.00 0.00 H +ATOM 1215 H2 TIP3A 405 14.690 20.186 5.605 1.00 0.00 H +ATOM 1216 O1 TIP3A 406 14.615 0.568 14.841 1.00 0.00 O +ATOM 1217 H1 TIP3A 406 13.845 0.001 14.812 1.00 0.00 H +ATOM 1218 H2 TIP3A 406 15.257 0.075 15.353 1.00 0.00 H +ATOM 1219 O1 TIP3A 407 32.885 33.081 16.968 1.00 0.00 O +ATOM 1220 H1 TIP3A 407 31.995 33.293 17.249 1.00 0.00 H +ATOM 1221 H2 TIP3A 407 33.402 33.101 17.774 1.00 0.00 H +ATOM 1222 O1 TIP3A 408 6.891 35.942 15.509 1.00 0.00 O +ATOM 1223 H1 TIP3A 408 6.064 36.100 15.055 1.00 0.00 H +ATOM 1224 H2 TIP3A 408 6.634 35.718 16.404 1.00 0.00 H +ATOM 1225 O1 TIP3A 409 38.332 31.788 24.958 1.00 0.00 O +ATOM 1226 H1 TIP3A 409 37.471 31.953 24.575 1.00 0.00 H +ATOM 1227 H2 TIP3A 409 38.300 30.871 25.234 1.00 0.00 H +ATOM 1228 O1 TIP3A 410 4.956 5.003 15.487 1.00 0.00 O +ATOM 1229 H1 TIP3A 410 5.194 5.225 14.588 1.00 0.00 H +ATOM 1230 H2 TIP3A 410 4.005 5.110 15.517 1.00 0.00 H +ATOM 1231 O1 TIP3A 411 6.176 1.129 27.110 1.00 0.00 O +ATOM 1232 H1 TIP3A 411 6.359 1.888 27.663 1.00 0.00 H +ATOM 1233 H2 TIP3A 411 6.127 0.393 27.721 1.00 0.00 H +ATOM 1234 O1 TIP3A 412 23.678 5.299 28.659 1.00 0.00 O +ATOM 1235 H1 TIP3A 412 23.212 6.133 28.692 1.00 0.00 H +ATOM 1236 H2 TIP3A 412 24.398 5.449 28.045 1.00 0.00 H +ATOM 1237 O1 TIP3A 413 23.242 34.881 18.926 1.00 0.00 O +ATOM 1238 H1 TIP3A 413 23.716 34.054 18.841 1.00 0.00 H +ATOM 1239 H2 TIP3A 413 22.973 34.910 19.845 1.00 0.00 H +ATOM 1240 O1 TIP3A 414 35.025 18.949 28.332 1.00 0.00 O +ATOM 1241 H1 TIP3A 414 34.724 19.539 29.023 1.00 0.00 H +ATOM 1242 H2 TIP3A 414 34.224 18.554 27.987 1.00 0.00 H +ATOM 1243 O1 TIP3A 415 18.469 23.765 25.099 1.00 0.00 O +ATOM 1244 H1 TIP3A 415 17.535 23.931 24.972 1.00 0.00 H +ATOM 1245 H2 TIP3A 415 18.512 23.226 25.889 1.00 0.00 H +ATOM 1246 O1 TIP3A 416 24.243 32.615 4.813 1.00 0.00 O +ATOM 1247 H1 TIP3A 416 24.399 31.958 5.492 1.00 0.00 H +ATOM 1248 H2 TIP3A 416 24.742 32.302 4.058 1.00 0.00 H +ATOM 1249 O1 TIP3A 417 35.425 14.824 4.970 1.00 0.00 O +ATOM 1250 H1 TIP3A 417 35.846 14.096 5.427 1.00 0.00 H +ATOM 1251 H2 TIP3A 417 35.581 14.647 4.042 1.00 0.00 H +ATOM 1252 O1 TIP3A 418 18.158 22.997 31.556 1.00 0.00 O +ATOM 1253 H1 TIP3A 418 17.210 22.897 31.480 1.00 0.00 H +ATOM 1254 H2 TIP3A 418 18.380 22.567 32.383 1.00 0.00 H +ATOM 1255 O1 TIP3A 419 21.976 24.616 33.649 1.00 0.00 O +ATOM 1256 H1 TIP3A 419 21.462 25.402 33.833 1.00 0.00 H +ATOM 1257 H2 TIP3A 419 22.432 24.815 32.830 1.00 0.00 H +ATOM 1258 O1 TIP3A 420 37.372 27.848 10.788 1.00 0.00 O +ATOM 1259 H1 TIP3A 420 37.345 28.685 10.327 1.00 0.00 H +ATOM 1260 H2 TIP3A 420 36.568 27.401 10.522 1.00 0.00 H +ATOM 1261 O1 TIP3A 421 4.067 21.639 5.722 1.00 0.00 O +ATOM 1262 H1 TIP3A 421 3.581 21.703 6.543 1.00 0.00 H +ATOM 1263 H2 TIP3A 421 4.432 22.514 5.590 1.00 0.00 H +ATOM 1264 O1 TIP3A 422 24.376 36.001 34.988 1.00 0.00 O +ATOM 1265 H1 TIP3A 422 23.760 36.664 35.298 1.00 0.00 H +ATOM 1266 H2 TIP3A 422 24.854 36.431 34.278 1.00 0.00 H +ATOM 1267 O1 TIP3A 423 24.391 25.933 17.059 1.00 0.00 O +ATOM 1268 H1 TIP3A 423 23.528 26.219 16.761 1.00 0.00 H +ATOM 1269 H2 TIP3A 423 24.211 25.189 17.634 1.00 0.00 H +ATOM 1270 O1 TIP3A 424 15.882 22.661 23.474 1.00 0.00 O +ATOM 1271 H1 TIP3A 424 15.388 22.571 24.289 1.00 0.00 H +ATOM 1272 H2 TIP3A 424 15.421 23.345 22.988 1.00 0.00 H +ATOM 1273 O1 TIP3A 425 16.707 16.124 17.073 1.00 0.00 O +ATOM 1274 H1 TIP3A 425 16.957 15.221 16.880 1.00 0.00 H +ATOM 1275 H2 TIP3A 425 17.329 16.407 17.744 1.00 0.00 H +ATOM 1276 O1 TIP3A 426 37.463 30.466 27.408 1.00 0.00 O +ATOM 1277 H1 TIP3A 426 38.278 29.990 27.254 1.00 0.00 H +ATOM 1278 H2 TIP3A 426 37.737 31.281 27.830 1.00 0.00 H +ATOM 1279 O1 TIP3A 427 7.684 16.465 14.395 1.00 0.00 O +ATOM 1280 H1 TIP3A 427 6.992 16.083 13.857 1.00 0.00 H +ATOM 1281 H2 TIP3A 427 7.306 17.277 14.734 1.00 0.00 H +ATOM 1282 O1 TIP3A 428 30.334 13.358 11.782 1.00 0.00 O +ATOM 1283 H1 TIP3A 428 31.069 13.969 11.739 1.00 0.00 H +ATOM 1284 H2 TIP3A 428 29.702 13.784 12.361 1.00 0.00 H +ATOM 1285 O1 TIP3A 429 25.579 1.132 31.524 1.00 0.00 O +ATOM 1286 H1 TIP3A 429 26.088 1.045 30.719 1.00 0.00 H +ATOM 1287 H2 TIP3A 429 24.966 1.845 31.344 1.00 0.00 H +ATOM 1288 O1 TIP3A 430 1.023 30.688 16.323 1.00 0.00 O +ATOM 1289 H1 TIP3A 430 1.882 30.321 16.115 1.00 0.00 H +ATOM 1290 H2 TIP3A 430 0.484 30.483 15.558 1.00 0.00 H +ATOM 1291 O1 TIP3A 431 11.182 24.095 0.268 1.00 0.00 O +ATOM 1292 H1 TIP3A 431 10.624 23.363 0.009 1.00 0.00 H +ATOM 1293 H2 TIP3A 431 12.063 23.832 0.001 1.00 0.00 H +ATOM 1294 O1 TIP3A 432 26.634 25.142 24.980 1.00 0.00 O +ATOM 1295 H1 TIP3A 432 25.860 25.511 25.403 1.00 0.00 H +ATOM 1296 H2 TIP3A 432 26.318 24.344 24.554 1.00 0.00 H +ATOM 1297 O1 TIP3A 433 13.053 9.936 14.584 1.00 0.00 O +ATOM 1298 H1 TIP3A 433 13.994 10.084 14.507 1.00 0.00 H +ATOM 1299 H2 TIP3A 433 12.838 10.215 15.475 1.00 0.00 H +ATOM 1300 O1 TIP3A 434 3.523 33.528 20.783 1.00 0.00 O +ATOM 1301 H1 TIP3A 434 3.980 32.743 20.485 1.00 0.00 H +ATOM 1302 H2 TIP3A 434 3.571 34.131 20.040 1.00 0.00 H +ATOM 1303 O1 TIP3A 435 3.218 17.813 13.356 1.00 0.00 O +ATOM 1304 H1 TIP3A 435 3.403 16.874 13.356 1.00 0.00 H +ATOM 1305 H2 TIP3A 435 2.520 17.920 12.709 1.00 0.00 H +ATOM 1306 O1 TIP3A 436 13.640 19.284 9.356 1.00 0.00 O +ATOM 1307 H1 TIP3A 436 14.510 18.886 9.334 1.00 0.00 H +ATOM 1308 H2 TIP3A 436 13.065 18.625 8.966 1.00 0.00 H +ATOM 1309 O1 TIP3A 437 31.494 29.487 31.617 1.00 0.00 O +ATOM 1310 H1 TIP3A 437 30.611 29.621 31.274 1.00 0.00 H +ATOM 1311 H2 TIP3A 437 32.064 29.949 31.001 1.00 0.00 H +ATOM 1312 O1 TIP3A 438 0.000 0.813 18.737 1.00 0.00 O +ATOM 1313 H1 TIP3A 438 0.007 1.737 18.491 1.00 0.00 H +ATOM 1314 H2 TIP3A 438 0.256 0.350 17.939 1.00 0.00 H +ATOM 1315 O1 TIP3A 439 29.272 22.460 6.613 1.00 0.00 O +ATOM 1316 H1 TIP3A 439 29.071 21.743 7.214 1.00 0.00 H +ATOM 1317 H2 TIP3A 439 28.473 22.570 6.096 1.00 0.00 H +ATOM 1318 O1 TIP3A 440 17.263 0.034 36.857 1.00 0.00 O +ATOM 1319 H1 TIP3A 440 18.106 0.003 36.406 1.00 0.00 H +ATOM 1320 H2 TIP3A 440 17.488 0.149 37.780 1.00 0.00 H +ATOM 1321 O1 TIP3A 441 17.213 2.133 8.080 1.00 0.00 O +ATOM 1322 H1 TIP3A 441 17.897 2.567 8.589 1.00 0.00 H +ATOM 1323 H2 TIP3A 441 16.393 2.447 8.463 1.00 0.00 H +ATOM 1324 O1 TIP3A 442 24.378 3.079 19.422 1.00 0.00 O +ATOM 1325 H1 TIP3A 442 23.942 2.242 19.582 1.00 0.00 H +ATOM 1326 H2 TIP3A 442 23.816 3.728 19.844 1.00 0.00 H +ATOM 1327 O1 TIP3A 443 32.147 9.411 30.334 1.00 0.00 O +ATOM 1328 H1 TIP3A 443 32.655 8.602 30.291 1.00 0.00 H +ATOM 1329 H2 TIP3A 443 32.795 10.107 30.217 1.00 0.00 H +ATOM 1330 O1 TIP3A 444 31.983 7.970 12.143 1.00 0.00 O +ATOM 1331 H1 TIP3A 444 32.383 8.839 12.112 1.00 0.00 H +ATOM 1332 H2 TIP3A 444 32.434 7.474 11.459 1.00 0.00 H +ATOM 1333 O1 TIP3A 445 1.885 12.353 1.079 1.00 0.00 O +ATOM 1334 H1 TIP3A 445 2.614 12.182 0.484 1.00 0.00 H +ATOM 1335 H2 TIP3A 445 1.305 12.934 0.587 1.00 0.00 H +ATOM 1336 O1 TIP3A 446 28.477 5.374 13.757 1.00 0.00 O +ATOM 1337 H1 TIP3A 446 27.854 5.285 14.478 1.00 0.00 H +ATOM 1338 H2 TIP3A 446 27.931 5.538 12.987 1.00 0.00 H +ATOM 1339 O1 TIP3A 447 27.804 18.461 1.346 1.00 0.00 O +ATOM 1340 H1 TIP3A 447 26.938 18.864 1.394 1.00 0.00 H +ATOM 1341 H2 TIP3A 447 28.122 18.681 0.470 1.00 0.00 H +ATOM 1342 O1 TIP3A 448 31.174 23.506 32.755 1.00 0.00 O +ATOM 1343 H1 TIP3A 448 30.432 22.903 32.753 1.00 0.00 H +ATOM 1344 H2 TIP3A 448 30.788 24.363 32.574 1.00 0.00 H +ATOM 1345 O1 TIP3A 449 25.284 32.862 13.211 1.00 0.00 O +ATOM 1346 H1 TIP3A 449 26.061 32.425 12.864 1.00 0.00 H +ATOM 1347 H2 TIP3A 449 25.579 33.265 14.028 1.00 0.00 H +ATOM 1348 O1 TIP3A 450 4.008 23.036 26.600 1.00 0.00 O +ATOM 1349 H1 TIP3A 450 4.435 23.845 26.880 1.00 0.00 H +ATOM 1350 H2 TIP3A 450 3.281 22.923 27.213 1.00 0.00 H +ATOM 1351 O1 TIP3A 451 7.491 26.113 3.894 1.00 0.00 O +ATOM 1352 H1 TIP3A 451 8.392 26.280 4.169 1.00 0.00 H +ATOM 1353 H2 TIP3A 451 6.957 26.392 4.639 1.00 0.00 H +ATOM 1354 O1 TIP3A 452 25.050 35.883 28.450 1.00 0.00 O +ATOM 1355 H1 TIP3A 452 25.278 34.960 28.341 1.00 0.00 H +ATOM 1356 H2 TIP3A 452 24.215 35.979 27.990 1.00 0.00 H +ATOM 1357 O1 TIP3A 453 18.107 31.675 23.328 1.00 0.00 O +ATOM 1358 H1 TIP3A 453 18.423 32.364 22.744 1.00 0.00 H +ATOM 1359 H2 TIP3A 453 17.412 31.240 22.834 1.00 0.00 H +ATOM 1360 O1 TIP3A 454 23.173 28.044 27.897 1.00 0.00 O +ATOM 1361 H1 TIP3A 454 22.697 28.072 28.727 1.00 0.00 H +ATOM 1362 H2 TIP3A 454 23.382 28.960 27.710 1.00 0.00 H +ATOM 1363 O1 TIP3A 455 6.591 25.499 17.965 1.00 0.00 O +ATOM 1364 H1 TIP3A 455 7.536 25.355 17.979 1.00 0.00 H +ATOM 1365 H2 TIP3A 455 6.443 26.193 18.608 1.00 0.00 H +ATOM 1366 O1 TIP3A 456 28.743 34.168 34.372 1.00 0.00 O +ATOM 1367 H1 TIP3A 456 29.658 34.355 34.165 1.00 0.00 H +ATOM 1368 H2 TIP3A 456 28.250 34.536 33.638 1.00 0.00 H +ATOM 1369 O1 TIP3A 457 16.058 34.021 35.105 1.00 0.00 O +ATOM 1370 H1 TIP3A 457 16.062 33.317 34.457 1.00 0.00 H +ATOM 1371 H2 TIP3A 457 16.068 33.571 35.950 1.00 0.00 H +ATOM 1372 O1 TIP3A 458 25.623 24.963 7.740 1.00 0.00 O +ATOM 1373 H1 TIP3A 458 25.035 24.208 7.745 1.00 0.00 H +ATOM 1374 H2 TIP3A 458 25.245 25.558 7.091 1.00 0.00 H +ATOM 1375 O1 TIP3A 459 4.154 18.236 7.558 1.00 0.00 O +ATOM 1376 H1 TIP3A 459 4.968 18.040 8.022 1.00 0.00 H +ATOM 1377 H2 TIP3A 459 3.666 17.412 7.571 1.00 0.00 H +ATOM 1378 O1 TIP3A 460 5.953 15.028 27.733 1.00 0.00 O +ATOM 1379 H1 TIP3A 460 6.775 15.180 27.267 1.00 0.00 H +ATOM 1380 H2 TIP3A 460 5.801 15.837 28.223 1.00 0.00 H +ATOM 1381 O1 TIP3A 461 22.309 10.148 23.224 1.00 0.00 O +ATOM 1382 H1 TIP3A 461 21.868 9.454 22.736 1.00 0.00 H +ATOM 1383 H2 TIP3A 461 22.127 9.947 24.143 1.00 0.00 H +ATOM 1384 O1 TIP3A 462 3.989 6.439 9.098 1.00 0.00 O +ATOM 1385 H1 TIP3A 462 4.653 5.943 8.619 1.00 0.00 H +ATOM 1386 H2 TIP3A 462 3.839 5.931 9.896 1.00 0.00 H +ATOM 1387 O1 TIP3A 463 21.606 27.052 32.041 1.00 0.00 O +ATOM 1388 H1 TIP3A 463 20.674 26.870 32.163 1.00 0.00 H +ATOM 1389 H2 TIP3A 463 21.633 27.704 31.340 1.00 0.00 H +ATOM 1390 O1 TIP3A 464 21.272 30.976 35.573 1.00 0.00 O +ATOM 1391 H1 TIP3A 464 22.040 30.521 35.916 1.00 0.00 H +ATOM 1392 H2 TIP3A 464 21.611 31.509 34.853 1.00 0.00 H +ATOM 1393 O1 TIP3A 465 38.272 8.464 24.207 1.00 0.00 O +ATOM 1394 H1 TIP3A 465 38.400 8.066 25.068 1.00 0.00 H +ATOM 1395 H2 TIP3A 465 37.419 8.896 24.267 1.00 0.00 H +ATOM 1396 O1 TIP3A 466 20.921 24.359 10.371 1.00 0.00 O +ATOM 1397 H1 TIP3A 466 20.154 24.856 10.654 1.00 0.00 H +ATOM 1398 H2 TIP3A 466 20.981 23.635 10.994 1.00 0.00 H +ATOM 1399 O1 TIP3A 467 4.109 36.438 7.143 1.00 0.00 O +ATOM 1400 H1 TIP3A 467 4.202 36.273 6.206 1.00 0.00 H +ATOM 1401 H2 TIP3A 467 4.662 37.203 7.308 1.00 0.00 H +ATOM 1402 O1 TIP3A 468 5.936 6.319 21.031 1.00 0.00 O +ATOM 1403 H1 TIP3A 468 6.037 7.213 21.356 1.00 0.00 H +ATOM 1404 H2 TIP3A 468 5.074 6.045 21.345 1.00 0.00 H +ATOM 1405 O1 TIP3A 469 7.985 20.893 37.559 1.00 0.00 O +ATOM 1406 H1 TIP3A 469 7.116 20.498 37.626 1.00 0.00 H +ATOM 1407 H2 TIP3A 469 8.403 20.697 38.398 1.00 0.00 H +ATOM 1408 O1 TIP3A 470 4.957 10.748 30.356 1.00 0.00 O +ATOM 1409 H1 TIP3A 470 5.174 9.834 30.534 1.00 0.00 H +ATOM 1410 H2 TIP3A 470 4.417 10.717 29.565 1.00 0.00 H +ATOM 1411 O1 TIP3A 471 13.995 35.622 18.478 1.00 0.00 O +ATOM 1412 H1 TIP3A 471 14.730 35.295 18.995 1.00 0.00 H +ATOM 1413 H2 TIP3A 471 13.374 35.954 19.127 1.00 0.00 H +ATOM 1414 O1 TIP3A 472 37.487 35.764 6.079 1.00 0.00 O +ATOM 1415 H1 TIP3A 472 36.991 35.069 6.510 1.00 0.00 H +ATOM 1416 H2 TIP3A 472 36.862 36.165 5.473 1.00 0.00 H +ATOM 1417 O1 TIP3A 473 25.840 7.669 20.726 1.00 0.00 O +ATOM 1418 H1 TIP3A 473 25.594 8.517 20.357 1.00 0.00 H +ATOM 1419 H2 TIP3A 473 26.542 7.871 21.345 1.00 0.00 H +ATOM 1420 O1 TIP3A 474 18.936 7.941 14.727 1.00 0.00 O +ATOM 1421 H1 TIP3A 474 18.203 8.556 14.743 1.00 0.00 H +ATOM 1422 H2 TIP3A 474 18.698 7.267 15.365 1.00 0.00 H +ATOM 1423 O1 TIP3A 475 8.549 8.387 34.973 1.00 0.00 O +ATOM 1424 H1 TIP3A 475 7.606 8.357 35.131 1.00 0.00 H +ATOM 1425 H2 TIP3A 475 8.863 7.520 35.229 1.00 0.00 H +ATOM 1426 O1 TIP3A 476 9.802 32.354 6.365 1.00 0.00 O +ATOM 1427 H1 TIP3A 476 9.068 32.927 6.143 1.00 0.00 H +ATOM 1428 H2 TIP3A 476 9.867 32.407 7.319 1.00 0.00 H +ATOM 1429 O1 TIP3A 477 20.902 14.979 25.429 1.00 0.00 O +ATOM 1430 H1 TIP3A 477 20.011 14.890 25.092 1.00 0.00 H +ATOM 1431 H2 TIP3A 477 21.087 14.135 25.843 1.00 0.00 H +ATOM 1432 O1 TIP3A 478 11.975 30.207 32.911 1.00 0.00 O +ATOM 1433 H1 TIP3A 478 11.366 30.945 32.907 1.00 0.00 H +ATOM 1434 H2 TIP3A 478 12.654 30.453 32.281 1.00 0.00 H +ATOM 1435 O1 TIP3A 479 1.639 21.464 19.355 1.00 0.00 O +ATOM 1436 H1 TIP3A 479 2.211 22.230 19.333 1.00 0.00 H +ATOM 1437 H2 TIP3A 479 2.042 20.846 18.744 1.00 0.00 H +ATOM 1438 O1 TIP3A 480 4.237 3.259 14.350 1.00 0.00 O +ATOM 1439 H1 TIP3A 480 3.485 2.923 14.835 1.00 0.00 H +ATOM 1440 H2 TIP3A 480 4.958 2.676 14.590 1.00 0.00 H +ATOM 1441 O1 TIP3A 481 24.786 31.032 28.253 1.00 0.00 O +ATOM 1442 H1 TIP3A 481 24.781 30.753 27.338 1.00 0.00 H +ATOM 1443 H2 TIP3A 481 23.877 30.938 28.538 1.00 0.00 H +ATOM 1444 O1 TIP3A 482 27.428 2.576 6.664 1.00 0.00 O +ATOM 1445 H1 TIP3A 482 26.965 2.228 7.426 1.00 0.00 H +ATOM 1446 H2 TIP3A 482 26.733 2.885 6.082 1.00 0.00 H +ATOM 1447 O1 TIP3A 483 16.860 9.125 12.773 1.00 0.00 O +ATOM 1448 H1 TIP3A 483 16.314 8.387 12.504 1.00 0.00 H +ATOM 1449 H2 TIP3A 483 16.397 9.897 12.448 1.00 0.00 H +ATOM 1450 O1 TIP3A 484 15.576 5.736 8.589 1.00 0.00 O +ATOM 1451 H1 TIP3A 484 15.650 6.675 8.755 1.00 0.00 H +ATOM 1452 H2 TIP3A 484 14.822 5.459 9.110 1.00 0.00 H +ATOM 1453 O1 TIP3A 485 29.177 34.393 15.504 1.00 0.00 O +ATOM 1454 H1 TIP3A 485 30.077 34.638 15.715 1.00 0.00 H +ATOM 1455 H2 TIP3A 485 29.176 34.279 14.553 1.00 0.00 H +ATOM 1456 O1 TIP3A 486 36.552 30.933 17.533 1.00 0.00 O +ATOM 1457 H1 TIP3A 486 35.736 31.418 17.412 1.00 0.00 H +ATOM 1458 H2 TIP3A 486 36.456 30.511 18.388 1.00 0.00 H +ATOM 1459 O1 TIP3A 487 4.706 26.956 1.972 1.00 0.00 O +ATOM 1460 H1 TIP3A 487 3.884 26.552 2.249 1.00 0.00 H +ATOM 1461 H2 TIP3A 487 5.375 26.537 2.514 1.00 0.00 H +ATOM 1462 O1 TIP3A 488 30.935 15.241 5.192 1.00 0.00 O +ATOM 1463 H1 TIP3A 488 31.271 16.108 4.966 1.00 0.00 H +ATOM 1464 H2 TIP3A 488 30.866 15.252 6.147 1.00 0.00 H +ATOM 1465 O1 TIP3A 489 3.580 33.766 23.314 1.00 0.00 O +ATOM 1466 H1 TIP3A 489 3.449 32.882 23.654 1.00 0.00 H +ATOM 1467 H2 TIP3A 489 4.058 34.221 24.009 1.00 0.00 H +ATOM 1468 O1 TIP3A 490 0.636 22.965 27.431 1.00 0.00 O +ATOM 1469 H1 TIP3A 490 0.004 22.761 28.119 1.00 0.00 H +ATOM 1470 H2 TIP3A 490 0.305 23.772 27.033 1.00 0.00 H +ATOM 1471 O1 TIP3A 491 8.432 9.052 22.216 1.00 0.00 O +ATOM 1472 H1 TIP3A 491 7.896 9.027 21.424 1.00 0.00 H +ATOM 1473 H2 TIP3A 491 9.138 8.428 22.048 1.00 0.00 H +ATOM 1474 O1 TIP3A 492 11.527 34.593 3.306 1.00 0.00 O +ATOM 1475 H1 TIP3A 492 11.341 35.293 2.680 1.00 0.00 H +ATOM 1476 H2 TIP3A 492 10.758 34.570 3.876 1.00 0.00 H +ATOM 1477 O1 TIP3A 493 34.482 20.618 2.592 1.00 0.00 O +ATOM 1478 H1 TIP3A 493 33.644 20.540 2.138 1.00 0.00 H +ATOM 1479 H2 TIP3A 493 34.261 20.534 3.520 1.00 0.00 H +ATOM 1480 O1 TIP3A 494 12.791 26.874 16.813 1.00 0.00 O +ATOM 1481 H1 TIP3A 494 12.922 27.293 17.663 1.00 0.00 H +ATOM 1482 H2 TIP3A 494 11.865 26.628 16.807 1.00 0.00 H +ATOM 1483 O1 TIP3A 495 35.338 18.970 8.795 1.00 0.00 O +ATOM 1484 H1 TIP3A 495 36.221 19.251 9.030 1.00 0.00 H +ATOM 1485 H2 TIP3A 495 35.462 18.127 8.357 1.00 0.00 H +ATOM 1486 O1 TIP3A 496 9.070 5.239 7.789 1.00 0.00 O +ATOM 1487 H1 TIP3A 496 8.860 6.157 7.624 1.00 0.00 H +ATOM 1488 H2 TIP3A 496 9.599 4.975 7.035 1.00 0.00 H +ATOM 1489 O1 TIP3A 497 33.207 29.292 13.779 1.00 0.00 O +ATOM 1490 H1 TIP3A 497 33.366 29.215 12.839 1.00 0.00 H +ATOM 1491 H2 TIP3A 497 33.061 28.392 14.073 1.00 0.00 H +ATOM 1492 O1 TIP3A 498 34.508 1.980 28.571 1.00 0.00 O +ATOM 1493 H1 TIP3A 498 35.357 2.420 28.594 1.00 0.00 H +ATOM 1494 H2 TIP3A 498 33.871 2.690 28.482 1.00 0.00 H +ATOM 1495 O1 TIP3A 499 36.127 10.205 2.928 1.00 0.00 O +ATOM 1496 H1 TIP3A 499 35.558 10.834 2.486 1.00 0.00 H +ATOM 1497 H2 TIP3A 499 35.692 10.035 3.764 1.00 0.00 H +ATOM 1498 O1 TIP3A 500 2.632 16.754 35.344 1.00 0.00 O +ATOM 1499 H1 TIP3A 500 2.749 17.491 35.943 1.00 0.00 H +ATOM 1500 H2 TIP3A 500 2.214 17.136 34.572 1.00 0.00 H +ATOM 1501 O1 TIP3A 501 9.512 21.844 25.539 1.00 0.00 O +ATOM 1502 H1 TIP3A 501 9.678 22.778 25.415 1.00 0.00 H +ATOM 1503 H2 TIP3A 501 10.043 21.605 26.299 1.00 0.00 H +ATOM 1504 O1 TIP3A 502 0.454 11.151 4.846 1.00 0.00 O +ATOM 1505 H1 TIP3A 502 0.000 11.269 5.679 1.00 0.00 H +ATOM 1506 H2 TIP3A 502 0.652 10.215 4.810 1.00 0.00 H +ATOM 1507 O1 TIP3A 503 6.028 3.558 19.102 1.00 0.00 O +ATOM 1508 H1 TIP3A 503 6.974 3.449 19.013 1.00 0.00 H +ATOM 1509 H2 TIP3A 503 5.928 4.302 19.697 1.00 0.00 H +ATOM 1510 O1 TIP3A 504 24.341 35.830 4.698 1.00 0.00 O +ATOM 1511 H1 TIP3A 504 25.245 35.900 5.002 1.00 0.00 H +ATOM 1512 H2 TIP3A 504 24.255 34.922 4.407 1.00 0.00 H +ATOM 1513 O1 TIP3A 505 30.495 13.771 19.334 1.00 0.00 O +ATOM 1514 H1 TIP3A 505 31.430 13.959 19.264 1.00 0.00 H +ATOM 1515 H2 TIP3A 505 30.131 14.527 19.797 1.00 0.00 H +ATOM 1516 O1 TIP3A 506 19.417 3.044 6.373 1.00 0.00 O +ATOM 1517 H1 TIP3A 506 20.208 3.563 6.515 1.00 0.00 H +ATOM 1518 H2 TIP3A 506 18.722 3.545 6.801 1.00 0.00 H +ATOM 1519 O1 TIP3A 507 4.902 22.166 34.640 1.00 0.00 O +ATOM 1520 H1 TIP3A 507 4.480 22.810 34.072 1.00 0.00 H +ATOM 1521 H2 TIP3A 507 5.008 21.391 34.087 1.00 0.00 H +ATOM 1522 O1 TIP3A 508 17.136 37.760 23.384 1.00 0.00 O +ATOM 1523 H1 TIP3A 508 16.933 36.912 22.991 1.00 0.00 H +ATOM 1524 H2 TIP3A 508 16.882 38.400 22.718 1.00 0.00 H +ATOM 1525 O1 TIP3A 509 26.499 31.931 15.888 1.00 0.00 O +ATOM 1526 H1 TIP3A 509 25.710 31.413 15.728 1.00 0.00 H +ATOM 1527 H2 TIP3A 509 26.683 31.808 16.820 1.00 0.00 H +ATOM 1528 O1 TIP3A 510 33.037 26.127 31.505 1.00 0.00 O +ATOM 1529 H1 TIP3A 510 33.241 25.529 32.223 1.00 0.00 H +ATOM 1530 H2 TIP3A 510 32.230 25.779 31.124 1.00 0.00 H +ATOM 1531 O1 TIP3A 511 22.778 4.198 14.437 1.00 0.00 O +ATOM 1532 H1 TIP3A 511 23.571 4.673 14.682 1.00 0.00 H +ATOM 1533 H2 TIP3A 511 22.110 4.878 14.343 1.00 0.00 H +ATOM 1534 O1 TIP3A 512 22.328 16.712 23.964 1.00 0.00 O +ATOM 1535 H1 TIP3A 512 22.867 17.487 23.808 1.00 0.00 H +ATOM 1536 H2 TIP3A 512 22.925 16.082 24.370 1.00 0.00 H +ATOM 1537 O1 TIP3A 513 35.832 3.464 30.668 1.00 0.00 O +ATOM 1538 H1 TIP3A 513 35.549 4.363 30.501 1.00 0.00 H +ATOM 1539 H2 TIP3A 513 36.623 3.360 30.139 1.00 0.00 H +ATOM 1540 O1 TIP3A 514 9.318 10.667 15.249 1.00 0.00 O +ATOM 1541 H1 TIP3A 514 9.012 10.949 14.388 1.00 0.00 H +ATOM 1542 H2 TIP3A 514 8.529 10.660 15.794 1.00 0.00 H +ATOM 1543 O1 TIP3A 515 19.029 10.619 26.217 1.00 0.00 O +ATOM 1544 H1 TIP3A 515 19.102 10.850 27.142 1.00 0.00 H +ATOM 1545 H2 TIP3A 515 19.934 10.495 25.928 1.00 0.00 H +ATOM 1546 O1 TIP3A 516 11.216 15.527 32.276 1.00 0.00 O +ATOM 1547 H1 TIP3A 516 10.394 15.965 32.056 1.00 0.00 H +ATOM 1548 H2 TIP3A 516 11.712 16.181 32.769 1.00 0.00 H +ATOM 1549 O1 TIP3A 517 36.651 6.734 18.794 1.00 0.00 O +ATOM 1550 H1 TIP3A 517 36.361 5.829 18.899 1.00 0.00 H +ATOM 1551 H2 TIP3A 517 36.117 7.231 19.414 1.00 0.00 H +ATOM 1552 O1 TIP3A 518 21.634 15.749 2.529 1.00 0.00 O +ATOM 1553 H1 TIP3A 518 21.779 16.433 3.182 1.00 0.00 H +ATOM 1554 H2 TIP3A 518 22.250 15.954 1.825 1.00 0.00 H +ATOM 1555 O1 TIP3A 519 35.632 9.198 29.847 1.00 0.00 O +ATOM 1556 H1 TIP3A 519 34.967 9.884 29.900 1.00 0.00 H +ATOM 1557 H2 TIP3A 519 35.355 8.544 30.489 1.00 0.00 H +ATOM 1558 O1 TIP3A 520 37.554 25.020 10.251 1.00 0.00 O +ATOM 1559 H1 TIP3A 520 38.399 25.446 10.391 1.00 0.00 H +ATOM 1560 H2 TIP3A 520 37.067 25.182 11.059 1.00 0.00 H +ATOM 1561 O1 TIP3A 521 17.473 5.346 27.378 1.00 0.00 O +ATOM 1562 H1 TIP3A 521 17.387 6.157 26.878 1.00 0.00 H +ATOM 1563 H2 TIP3A 521 16.631 5.249 27.824 1.00 0.00 H +ATOM 1564 O1 TIP3A 522 37.317 10.556 30.979 1.00 0.00 O +ATOM 1565 H1 TIP3A 522 36.437 10.683 31.331 1.00 0.00 H +ATOM 1566 H2 TIP3A 522 37.662 11.442 30.866 1.00 0.00 H +ATOM 1567 O1 TIP3A 523 27.846 0.889 22.184 1.00 0.00 O +ATOM 1568 H1 TIP3A 523 28.552 1.156 21.596 1.00 0.00 H +ATOM 1569 H2 TIP3A 523 28.081 0.000 22.453 1.00 0.00 H +ATOM 1570 O1 TIP3A 524 21.569 31.278 10.892 1.00 0.00 O +ATOM 1571 H1 TIP3A 524 21.424 32.077 10.386 1.00 0.00 H +ATOM 1572 H2 TIP3A 524 21.098 31.425 11.713 1.00 0.00 H +ATOM 1573 O1 TIP3A 525 11.804 24.367 27.653 1.00 0.00 O +ATOM 1574 H1 TIP3A 525 10.902 24.090 27.498 1.00 0.00 H +ATOM 1575 H2 TIP3A 525 12.043 23.956 28.484 1.00 0.00 H +ATOM 1576 O1 TIP3A 526 34.898 31.223 22.980 1.00 0.00 O +ATOM 1577 H1 TIP3A 526 33.995 30.913 23.048 1.00 0.00 H +ATOM 1578 H2 TIP3A 526 35.370 30.499 22.568 1.00 0.00 H +ATOM 1579 O1 TIP3A 527 2.657 4.664 7.219 1.00 0.00 O +ATOM 1580 H1 TIP3A 527 3.102 5.505 7.122 1.00 0.00 H +ATOM 1581 H2 TIP3A 527 1.955 4.834 7.848 1.00 0.00 H +ATOM 1582 O1 TIP3A 528 37.603 35.198 35.934 1.00 0.00 O +ATOM 1583 H1 TIP3A 528 38.398 35.706 36.092 1.00 0.00 H +ATOM 1584 H2 TIP3A 528 36.925 35.652 36.435 1.00 0.00 H +ATOM 1585 O1 TIP3A 529 20.139 2.062 4.542 1.00 0.00 O +ATOM 1586 H1 TIP3A 529 20.512 1.207 4.330 1.00 0.00 H +ATOM 1587 H2 TIP3A 529 19.267 2.049 4.145 1.00 0.00 H +ATOM 1588 O1 TIP3A 530 27.664 30.248 7.763 1.00 0.00 O +ATOM 1589 H1 TIP3A 530 27.069 30.117 8.500 1.00 0.00 H +ATOM 1590 H2 TIP3A 530 28.117 29.409 7.669 1.00 0.00 H +ATOM 1591 O1 TIP3A 531 14.843 13.546 16.404 1.00 0.00 O +ATOM 1592 H1 TIP3A 531 14.270 14.243 16.087 1.00 0.00 H +ATOM 1593 H2 TIP3A 531 15.226 13.898 17.208 1.00 0.00 H +ATOM 1594 O1 TIP3A 532 23.231 15.864 19.427 1.00 0.00 O +ATOM 1595 H1 TIP3A 532 23.726 16.632 19.710 1.00 0.00 H +ATOM 1596 H2 TIP3A 532 22.639 15.677 20.157 1.00 0.00 H +ATOM 1597 O1 TIP3A 533 16.913 12.297 21.374 1.00 0.00 O +ATOM 1598 H1 TIP3A 533 16.819 11.509 20.840 1.00 0.00 H +ATOM 1599 H2 TIP3A 533 16.085 12.764 21.261 1.00 0.00 H +ATOM 1600 O1 TIP3A 534 12.682 29.904 12.988 1.00 0.00 O +ATOM 1601 H1 TIP3A 534 13.306 29.212 13.204 1.00 0.00 H +ATOM 1602 H2 TIP3A 534 11.943 29.755 13.579 1.00 0.00 H +ATOM 1603 O1 TIP3A 535 25.969 35.850 17.978 1.00 0.00 O +ATOM 1604 H1 TIP3A 535 25.282 35.384 17.503 1.00 0.00 H +ATOM 1605 H2 TIP3A 535 25.557 36.669 18.255 1.00 0.00 H +ATOM 1606 O1 TIP3A 536 18.456 21.520 10.282 1.00 0.00 O +ATOM 1607 H1 TIP3A 536 17.600 21.590 10.704 1.00 0.00 H +ATOM 1608 H2 TIP3A 536 18.720 22.427 10.122 1.00 0.00 H +ATOM 1609 O1 TIP3A 537 12.098 21.201 16.647 1.00 0.00 O +ATOM 1610 H1 TIP3A 537 11.499 21.805 17.085 1.00 0.00 H +ATOM 1611 H2 TIP3A 537 12.190 21.554 15.762 1.00 0.00 H +ATOM 1612 O1 TIP3A 538 1.966 32.991 7.911 1.00 0.00 O +ATOM 1613 H1 TIP3A 538 2.854 33.073 7.564 1.00 0.00 H +ATOM 1614 H2 TIP3A 538 1.858 33.755 8.477 1.00 0.00 H +ATOM 1615 O1 TIP3A 539 26.311 17.269 11.625 1.00 0.00 O +ATOM 1616 H1 TIP3A 539 25.601 16.629 11.587 1.00 0.00 H +ATOM 1617 H2 TIP3A 539 26.043 17.884 12.308 1.00 0.00 H +ATOM 1618 O1 TIP3A 540 27.436 37.095 4.675 1.00 0.00 O +ATOM 1619 H1 TIP3A 540 26.745 37.590 5.114 1.00 0.00 H +ATOM 1620 H2 TIP3A 540 27.115 36.976 3.780 1.00 0.00 H +ATOM 1621 O1 TIP3A 541 22.294 12.277 25.621 1.00 0.00 O +ATOM 1622 H1 TIP3A 541 22.777 12.635 24.876 1.00 0.00 H +ATOM 1623 H2 TIP3A 541 22.913 12.319 26.350 1.00 0.00 H +ATOM 1624 O1 TIP3A 542 23.230 23.193 17.346 1.00 0.00 O +ATOM 1625 H1 TIP3A 542 22.509 23.781 17.566 1.00 0.00 H +ATOM 1626 H2 TIP3A 542 23.647 22.999 18.187 1.00 0.00 H +ATOM 1627 O1 TIP3A 543 25.954 12.246 27.583 1.00 0.00 O +ATOM 1628 H1 TIP3A 543 25.381 12.857 27.121 1.00 0.00 H +ATOM 1629 H2 TIP3A 543 26.781 12.280 27.102 1.00 0.00 H +ATOM 1630 O1 TIP3A 544 4.711 13.714 35.000 1.00 0.00 O +ATOM 1631 H1 TIP3A 544 3.987 14.267 35.292 1.00 0.00 H +ATOM 1632 H2 TIP3A 544 4.290 13.005 34.512 1.00 0.00 H +ATOM 1633 O1 TIP3A 545 17.972 2.017 19.097 1.00 0.00 O +ATOM 1634 H1 TIP3A 545 17.317 2.183 18.419 1.00 0.00 H +ATOM 1635 H2 TIP3A 545 18.807 2.239 18.683 1.00 0.00 H +ATOM 1636 O1 TIP3A 546 20.238 6.752 2.503 1.00 0.00 O +ATOM 1637 H1 TIP3A 546 20.106 7.688 2.646 1.00 0.00 H +ATOM 1638 H2 TIP3A 546 19.441 6.463 2.056 1.00 0.00 H +ATOM 1639 O1 TIP3A 547 25.080 20.914 2.296 1.00 0.00 O +ATOM 1640 H1 TIP3A 547 25.148 20.280 1.583 1.00 0.00 H +ATOM 1641 H2 TIP3A 547 24.859 20.387 3.065 1.00 0.00 H +ATOM 1642 O1 TIP3A 548 32.739 28.032 5.515 1.00 0.00 O +ATOM 1643 H1 TIP3A 548 33.407 28.715 5.563 1.00 0.00 H +ATOM 1644 H2 TIP3A 548 32.906 27.480 6.280 1.00 0.00 H +ATOM 1645 O1 TIP3A 549 21.396 8.812 13.787 1.00 0.00 O +ATOM 1646 H1 TIP3A 549 20.680 9.390 14.048 1.00 0.00 H +ATOM 1647 H2 TIP3A 549 21.863 8.625 14.602 1.00 0.00 H +ATOM 1648 O1 TIP3A 550 23.162 10.065 13.398 1.00 0.00 O +ATOM 1649 H1 TIP3A 550 23.462 10.949 13.191 1.00 0.00 H +ATOM 1650 H2 TIP3A 550 23.757 9.490 12.915 1.00 0.00 H +ATOM 1651 O1 TIP3A 551 17.005 25.966 9.349 1.00 0.00 O +ATOM 1652 H1 TIP3A 551 17.901 26.048 9.674 1.00 0.00 H +ATOM 1653 H2 TIP3A 551 16.463 25.967 10.138 1.00 0.00 H +ATOM 1654 O1 TIP3A 552 36.464 10.371 27.136 1.00 0.00 O +ATOM 1655 H1 TIP3A 552 37.218 10.857 27.467 1.00 0.00 H +ATOM 1656 H2 TIP3A 552 35.716 10.947 27.299 1.00 0.00 H +ATOM 1657 O1 TIP3A 553 13.969 11.554 3.049 1.00 0.00 O +ATOM 1658 H1 TIP3A 553 13.625 12.367 3.418 1.00 0.00 H +ATOM 1659 H2 TIP3A 553 14.912 11.596 3.214 1.00 0.00 H +ATOM 1660 O1 TIP3A 554 36.415 13.760 27.386 1.00 0.00 O +ATOM 1661 H1 TIP3A 554 35.739 13.142 27.661 1.00 0.00 H +ATOM 1662 H2 TIP3A 554 37.108 13.211 27.018 1.00 0.00 H +ATOM 1663 O1 TIP3A 555 0.997 5.834 0.953 1.00 0.00 O +ATOM 1664 H1 TIP3A 555 1.552 6.311 1.570 1.00 0.00 H +ATOM 1665 H2 TIP3A 555 1.078 4.917 1.217 1.00 0.00 H +ATOM 1666 O1 TIP3A 556 37.852 2.237 38.205 1.00 0.00 O +ATOM 1667 H1 TIP3A 556 36.962 2.193 37.856 1.00 0.00 H +ATOM 1668 H2 TIP3A 556 38.400 2.426 37.443 1.00 0.00 H +ATOM 1669 O1 TIP3A 557 18.038 28.369 18.760 1.00 0.00 O +ATOM 1670 H1 TIP3A 557 17.650 29.092 19.251 1.00 0.00 H +ATOM 1671 H2 TIP3A 557 17.319 27.748 18.637 1.00 0.00 H +ATOM 1672 O1 TIP3A 558 16.820 20.440 6.092 1.00 0.00 O +ATOM 1673 H1 TIP3A 558 16.968 19.528 5.845 1.00 0.00 H +ATOM 1674 H2 TIP3A 558 17.050 20.941 5.308 1.00 0.00 H +ATOM 1675 O1 TIP3A 559 33.163 6.273 1.469 1.00 0.00 O +ATOM 1676 H1 TIP3A 559 33.887 6.897 1.431 1.00 0.00 H +ATOM 1677 H2 TIP3A 559 32.590 6.612 2.157 1.00 0.00 H +ATOM 1678 O1 TIP3A 560 10.033 25.235 14.365 1.00 0.00 O +ATOM 1679 H1 TIP3A 560 9.313 24.635 14.173 1.00 0.00 H +ATOM 1680 H2 TIP3A 560 10.478 24.843 15.117 1.00 0.00 H +ATOM 1681 O1 TIP3A 561 24.477 10.187 4.383 1.00 0.00 O +ATOM 1682 H1 TIP3A 561 24.363 11.128 4.255 1.00 0.00 H +ATOM 1683 H2 TIP3A 561 23.677 9.906 4.830 1.00 0.00 H +ATOM 1684 O1 TIP3A 562 24.934 25.662 28.348 1.00 0.00 O +ATOM 1685 H1 TIP3A 562 25.075 25.357 27.453 1.00 0.00 H +ATOM 1686 H2 TIP3A 562 25.712 25.372 28.826 1.00 0.00 H +ATOM 1687 O1 TIP3A 563 1.997 37.899 16.018 1.00 0.00 O +ATOM 1688 H1 TIP3A 563 1.047 37.990 16.082 1.00 0.00 H +ATOM 1689 H2 TIP3A 563 2.214 37.201 16.636 1.00 0.00 H +ATOM 1690 O1 TIP3A 564 11.297 28.253 6.837 1.00 0.00 O +ATOM 1691 H1 TIP3A 564 10.424 28.361 7.213 1.00 0.00 H +ATOM 1692 H2 TIP3A 564 11.880 28.203 7.595 1.00 0.00 H +ATOM 1693 O1 TIP3A 565 9.286 3.501 16.688 1.00 0.00 O +ATOM 1694 H1 TIP3A 565 8.602 2.862 16.884 1.00 0.00 H +ATOM 1695 H2 TIP3A 565 8.901 4.066 16.017 1.00 0.00 H +ATOM 1696 O1 TIP3A 566 3.240 13.242 3.504 1.00 0.00 O +ATOM 1697 H1 TIP3A 566 2.438 12.727 3.583 1.00 0.00 H +ATOM 1698 H2 TIP3A 566 3.947 12.604 3.611 1.00 0.00 H +ATOM 1699 O1 TIP3A 567 8.668 32.287 21.715 1.00 0.00 O +ATOM 1700 H1 TIP3A 567 8.748 31.420 21.318 1.00 0.00 H +ATOM 1701 H2 TIP3A 567 7.947 32.703 21.241 1.00 0.00 H +ATOM 1702 O1 TIP3A 568 20.564 9.875 34.828 1.00 0.00 O +ATOM 1703 H1 TIP3A 568 21.232 9.252 34.546 1.00 0.00 H +ATOM 1704 H2 TIP3A 568 20.707 9.970 35.771 1.00 0.00 H +ATOM 1705 O1 TIP3A 569 9.697 0.443 2.399 1.00 0.00 O +ATOM 1706 H1 TIP3A 569 9.218 1.149 1.968 1.00 0.00 H +ATOM 1707 H2 TIP3A 569 10.415 0.883 2.856 1.00 0.00 H +ATOM 1708 O1 TIP3A 570 23.443 29.184 38.326 1.00 0.00 O +ATOM 1709 H1 TIP3A 570 22.592 28.791 38.134 1.00 0.00 H +ATOM 1710 H2 TIP3A 570 23.841 29.325 37.466 1.00 0.00 H +ATOM 1711 O1 TIP3A 571 2.662 26.797 33.759 1.00 0.00 O +ATOM 1712 H1 TIP3A 571 2.948 26.503 32.895 1.00 0.00 H +ATOM 1713 H2 TIP3A 571 1.768 27.112 33.621 1.00 0.00 H +ATOM 1714 O1 TIP3A 572 10.386 34.026 33.109 1.00 0.00 O +ATOM 1715 H1 TIP3A 572 9.477 33.882 32.847 1.00 0.00 H +ATOM 1716 H2 TIP3A 572 10.721 34.660 32.474 1.00 0.00 H +ATOM 1717 O1 TIP3A 573 2.165 13.411 12.647 1.00 0.00 O +ATOM 1718 H1 TIP3A 573 1.218 13.539 12.675 1.00 0.00 H +ATOM 1719 H2 TIP3A 573 2.478 14.064 12.020 1.00 0.00 H +ATOM 1720 O1 TIP3A 574 26.116 17.021 31.090 1.00 0.00 O +ATOM 1721 H1 TIP3A 574 26.536 17.338 30.291 1.00 0.00 H +ATOM 1722 H2 TIP3A 574 25.851 17.816 31.554 1.00 0.00 H +ATOM 1723 O1 TIP3A 575 5.820 25.483 15.662 1.00 0.00 O +ATOM 1724 H1 TIP3A 575 6.357 26.274 15.673 1.00 0.00 H +ATOM 1725 H2 TIP3A 575 5.138 25.646 16.315 1.00 0.00 H +ATOM 1726 O1 TIP3A 576 15.122 15.073 28.000 1.00 0.00 O +ATOM 1727 H1 TIP3A 576 15.207 16.000 27.780 1.00 0.00 H +ATOM 1728 H2 TIP3A 576 14.441 14.748 27.411 1.00 0.00 H +ATOM 1729 O1 TIP3A 577 17.377 37.721 3.265 1.00 0.00 O +ATOM 1730 H1 TIP3A 577 17.943 38.401 3.630 1.00 0.00 H +ATOM 1731 H2 TIP3A 577 16.643 37.665 3.877 1.00 0.00 H +ATOM 1732 O1 TIP3A 578 36.169 15.430 19.585 1.00 0.00 O +ATOM 1733 H1 TIP3A 578 35.459 16.056 19.719 1.00 0.00 H +ATOM 1734 H2 TIP3A 578 36.830 15.919 19.092 1.00 0.00 H +ATOM 1735 O1 TIP3A 579 16.994 30.063 30.079 1.00 0.00 O +ATOM 1736 H1 TIP3A 579 16.335 30.672 29.748 1.00 0.00 H +ATOM 1737 H2 TIP3A 579 16.540 29.222 30.132 1.00 0.00 H +ATOM 1738 O1 TIP3A 580 16.953 18.726 10.364 1.00 0.00 O +ATOM 1739 H1 TIP3A 580 17.589 19.433 10.257 1.00 0.00 H +ATOM 1740 H2 TIP3A 580 16.181 19.151 10.739 1.00 0.00 H +ATOM 1741 O1 TIP3A 581 14.910 38.144 12.181 1.00 0.00 O +ATOM 1742 H1 TIP3A 581 15.764 37.714 12.181 1.00 0.00 H +ATOM 1743 H2 TIP3A 581 14.389 37.643 11.554 1.00 0.00 H +ATOM 1744 O1 TIP3A 582 12.665 16.887 25.448 1.00 0.00 O +ATOM 1745 H1 TIP3A 582 12.954 15.986 25.591 1.00 0.00 H +ATOM 1746 H2 TIP3A 582 13.154 17.401 26.090 1.00 0.00 H +ATOM 1747 O1 TIP3A 583 11.224 15.073 0.000 1.00 0.00 O +ATOM 1748 H1 TIP3A 583 12.135 14.783 0.013 1.00 0.00 H +ATOM 1749 H2 TIP3A 583 11.221 15.881 0.515 1.00 0.00 H +ATOM 1750 O1 TIP3A 584 24.140 4.661 4.531 1.00 0.00 O +ATOM 1751 H1 TIP3A 584 24.278 4.122 5.309 1.00 0.00 H +ATOM 1752 H2 TIP3A 584 23.570 5.371 4.828 1.00 0.00 H +ATOM 1753 O1 TIP3A 585 11.099 31.393 19.075 1.00 0.00 O +ATOM 1754 H1 TIP3A 585 10.370 31.789 18.598 1.00 0.00 H +ATOM 1755 H2 TIP3A 585 11.877 31.832 18.731 1.00 0.00 H +ATOM 1756 O1 TIP3A 586 11.231 8.719 15.332 1.00 0.00 O +ATOM 1757 H1 TIP3A 586 10.695 9.086 16.033 1.00 0.00 H +ATOM 1758 H2 TIP3A 586 11.737 8.024 15.755 1.00 0.00 H +ATOM 1759 O1 TIP3A 587 29.963 16.979 15.418 1.00 0.00 O +ATOM 1760 H1 TIP3A 587 29.156 17.471 15.565 1.00 0.00 H +ATOM 1761 H2 TIP3A 587 29.852 16.176 15.928 1.00 0.00 H +ATOM 1762 O1 TIP3A 588 10.103 12.494 35.954 1.00 0.00 O +ATOM 1763 H1 TIP3A 588 9.998 13.430 36.117 1.00 0.00 H +ATOM 1764 H2 TIP3A 588 10.218 12.427 35.006 1.00 0.00 H +ATOM 1765 O1 TIP3A 589 28.493 36.850 35.610 1.00 0.00 O +ATOM 1766 H1 TIP3A 589 28.320 36.114 36.195 1.00 0.00 H +ATOM 1767 H2 TIP3A 589 29.430 37.022 35.710 1.00 0.00 H +ATOM 1768 O1 TIP3A 590 18.691 3.933 17.283 1.00 0.00 O +ATOM 1769 H1 TIP3A 590 18.710 4.508 18.047 1.00 0.00 H +ATOM 1770 H2 TIP3A 590 17.762 3.857 17.062 1.00 0.00 H +ATOM 1771 O1 TIP3A 591 15.961 33.547 31.480 1.00 0.00 O +ATOM 1772 H1 TIP3A 591 16.622 33.583 32.170 1.00 0.00 H +ATOM 1773 H2 TIP3A 591 15.140 33.767 31.923 1.00 0.00 H +ATOM 1774 O1 TIP3A 592 2.778 4.376 18.300 1.00 0.00 O +ATOM 1775 H1 TIP3A 592 3.467 3.725 18.170 1.00 0.00 H +ATOM 1776 H2 TIP3A 592 2.107 4.147 17.657 1.00 0.00 H +ATOM 1777 O1 TIP3A 593 18.925 8.571 6.538 1.00 0.00 O +ATOM 1778 H1 TIP3A 593 19.083 9.502 6.691 1.00 0.00 H +ATOM 1779 H2 TIP3A 593 18.111 8.545 6.034 1.00 0.00 H +ATOM 1780 O1 TIP3A 594 9.341 19.328 11.608 1.00 0.00 O +ATOM 1781 H1 TIP3A 594 8.385 19.347 11.583 1.00 0.00 H +ATOM 1782 H2 TIP3A 594 9.553 18.483 12.006 1.00 0.00 H +ATOM 1783 O1 TIP3A 595 24.802 2.055 14.310 1.00 0.00 O +ATOM 1784 H1 TIP3A 595 25.099 1.378 14.917 1.00 0.00 H +ATOM 1785 H2 TIP3A 595 25.400 2.788 14.457 1.00 0.00 H +ATOM 1786 O1 TIP3A 596 7.689 1.870 8.893 1.00 0.00 O +ATOM 1787 H1 TIP3A 596 6.926 2.237 9.338 1.00 0.00 H +ATOM 1788 H2 TIP3A 596 8.222 2.631 8.660 1.00 0.00 H +ATOM 1789 O1 TIP3A 597 22.732 33.570 14.659 1.00 0.00 O +ATOM 1790 H1 TIP3A 597 23.206 33.964 13.927 1.00 0.00 H +ATOM 1791 H2 TIP3A 597 22.524 32.684 14.362 1.00 0.00 H +ATOM 1792 O1 TIP3A 598 10.501 16.755 29.967 1.00 0.00 O +ATOM 1793 H1 TIP3A 598 11.165 17.428 29.822 1.00 0.00 H +ATOM 1794 H2 TIP3A 598 9.676 17.238 30.015 1.00 0.00 H +ATOM 1795 O1 TIP3A 599 17.002 12.528 0.589 1.00 0.00 O +ATOM 1796 H1 TIP3A 599 16.858 13.187 1.267 1.00 0.00 H +ATOM 1797 H2 TIP3A 599 16.252 12.621 0.001 1.00 0.00 H +ATOM 1798 O1 TIP3A 600 29.666 8.262 1.358 1.00 0.00 O +ATOM 1799 H1 TIP3A 600 29.848 8.597 2.236 1.00 0.00 H +ATOM 1800 H2 TIP3A 600 29.147 8.951 0.941 1.00 0.00 H +ATOM 1801 O1 TIP3A 601 10.904 18.399 17.446 1.00 0.00 O +ATOM 1802 H1 TIP3A 601 11.226 17.983 16.647 1.00 0.00 H +ATOM 1803 H2 TIP3A 601 10.404 19.155 17.138 1.00 0.00 H +ATOM 1804 O1 TIP3A 602 34.077 6.163 29.194 1.00 0.00 O +ATOM 1805 H1 TIP3A 602 35.028 6.265 29.181 1.00 0.00 H +ATOM 1806 H2 TIP3A 602 33.928 5.269 28.884 1.00 0.00 H +ATOM 1807 O1 TIP3A 603 10.882 7.778 17.797 1.00 0.00 O +ATOM 1808 H1 TIP3A 603 11.787 7.762 18.109 1.00 0.00 H +ATOM 1809 H2 TIP3A 603 10.756 6.922 17.386 1.00 0.00 H +ATOM 1810 O1 TIP3A 604 21.357 19.136 17.198 1.00 0.00 O +ATOM 1811 H1 TIP3A 604 20.766 19.887 17.149 1.00 0.00 H +ATOM 1812 H2 TIP3A 604 21.532 18.907 16.285 1.00 0.00 H +ATOM 1813 O1 TIP3A 605 27.929 33.813 21.706 1.00 0.00 O +ATOM 1814 H1 TIP3A 605 27.168 33.627 21.158 1.00 0.00 H +ATOM 1815 H2 TIP3A 605 27.791 33.286 22.494 1.00 0.00 H +ATOM 1816 O1 TIP3A 606 21.370 18.455 27.906 1.00 0.00 O +ATOM 1817 H1 TIP3A 606 20.793 19.217 27.876 1.00 0.00 H +ATOM 1818 H2 TIP3A 606 20.781 17.705 27.812 1.00 0.00 H +ATOM 1819 O1 TIP3A 607 31.958 35.672 24.421 1.00 0.00 O +ATOM 1820 H1 TIP3A 607 32.232 36.587 24.376 1.00 0.00 H +ATOM 1821 H2 TIP3A 607 32.549 35.214 23.822 1.00 0.00 H +ATOM 1822 O1 TIP3A 608 24.126 35.314 7.628 1.00 0.00 O +ATOM 1823 H1 TIP3A 608 24.494 36.161 7.876 1.00 0.00 H +ATOM 1824 H2 TIP3A 608 24.853 34.698 7.729 1.00 0.00 H +ATOM 1825 O1 TIP3A 609 24.139 10.309 24.958 1.00 0.00 O +ATOM 1826 H1 TIP3A 609 24.453 11.210 24.891 1.00 0.00 H +ATOM 1827 H2 TIP3A 609 24.768 9.796 24.449 1.00 0.00 H +ATOM 1828 O1 TIP3A 610 4.602 15.757 32.202 1.00 0.00 O +ATOM 1829 H1 TIP3A 610 5.394 16.275 32.345 1.00 0.00 H +ATOM 1830 H2 TIP3A 610 4.904 14.985 31.721 1.00 0.00 H +ATOM 1831 O1 TIP3A 611 35.409 33.993 8.477 1.00 0.00 O +ATOM 1832 H1 TIP3A 611 36.251 34.448 8.493 1.00 0.00 H +ATOM 1833 H2 TIP3A 611 34.870 34.462 9.115 1.00 0.00 H +ATOM 1834 O1 TIP3A 612 13.274 8.859 20.101 1.00 0.00 O +ATOM 1835 H1 TIP3A 612 13.960 9.379 20.519 1.00 0.00 H +ATOM 1836 H2 TIP3A 612 13.724 8.391 19.397 1.00 0.00 H +ATOM 1837 O1 TIP3A 613 17.868 30.242 14.835 1.00 0.00 O +ATOM 1838 H1 TIP3A 613 17.225 29.602 14.533 1.00 0.00 H +ATOM 1839 H2 TIP3A 613 18.613 30.132 14.244 1.00 0.00 H +ATOM 1840 O1 TIP3A 614 7.339 22.185 7.351 1.00 0.00 O +ATOM 1841 H1 TIP3A 614 8.114 22.672 7.628 1.00 0.00 H +ATOM 1842 H2 TIP3A 614 6.614 22.800 7.468 1.00 0.00 H +ATOM 1843 O1 TIP3A 615 17.049 35.982 19.096 1.00 0.00 O +ATOM 1844 H1 TIP3A 615 17.757 35.852 18.466 1.00 0.00 H +ATOM 1845 H2 TIP3A 615 17.477 36.363 19.863 1.00 0.00 H +ATOM 1846 O1 TIP3A 616 3.521 5.382 12.585 1.00 0.00 O +ATOM 1847 H1 TIP3A 616 3.621 6.202 12.103 1.00 0.00 H +ATOM 1848 H2 TIP3A 616 3.339 5.653 13.486 1.00 0.00 H +ATOM 1849 O1 TIP3A 617 4.923 28.595 37.970 1.00 0.00 O +ATOM 1850 H1 TIP3A 617 5.712 29.004 38.325 1.00 0.00 H +ATOM 1851 H2 TIP3A 617 5.250 27.905 37.392 1.00 0.00 H +ATOM 1852 O1 TIP3A 618 38.399 26.187 15.726 1.00 0.00 O +ATOM 1853 H1 TIP3A 618 37.824 25.503 16.067 1.00 0.00 H +ATOM 1854 H2 TIP3A 618 38.046 27.000 16.089 1.00 0.00 H +ATOM 1855 O1 TIP3A 619 8.014 9.748 26.244 1.00 0.00 O +ATOM 1856 H1 TIP3A 619 8.089 10.574 26.720 1.00 0.00 H +ATOM 1857 H2 TIP3A 619 7.525 9.174 26.836 1.00 0.00 H +ATOM 1858 O1 TIP3A 620 2.676 31.753 11.768 1.00 0.00 O +ATOM 1859 H1 TIP3A 620 3.473 31.635 11.253 1.00 0.00 H +ATOM 1860 H2 TIP3A 620 2.565 32.702 11.826 1.00 0.00 H +ATOM 1861 O1 TIP3A 621 12.464 15.414 13.909 1.00 0.00 O +ATOM 1862 H1 TIP3A 621 13.014 15.390 14.691 1.00 0.00 H +ATOM 1863 H2 TIP3A 621 11.795 14.747 14.064 1.00 0.00 H +ATOM 1864 O1 TIP3A 622 26.465 35.882 14.329 1.00 0.00 O +ATOM 1865 H1 TIP3A 622 26.871 35.043 14.114 1.00 0.00 H +ATOM 1866 H2 TIP3A 622 25.825 36.025 13.631 1.00 0.00 H +ATOM 1867 O1 TIP3A 623 6.356 33.936 4.156 1.00 0.00 O +ATOM 1868 H1 TIP3A 623 6.136 34.773 3.749 1.00 0.00 H +ATOM 1869 H2 TIP3A 623 6.990 33.538 3.558 1.00 0.00 H +ATOM 1870 O1 TIP3A 624 12.221 38.284 27.583 1.00 0.00 O +ATOM 1871 H1 TIP3A 624 11.684 38.400 28.366 1.00 0.00 H +ATOM 1872 H2 TIP3A 624 12.749 37.506 27.768 1.00 0.00 H +ATOM 1873 O1 TIP3A 625 35.630 21.521 36.542 1.00 0.00 O +ATOM 1874 H1 TIP3A 625 34.828 21.553 36.022 1.00 0.00 H +ATOM 1875 H2 TIP3A 625 36.185 22.207 36.171 1.00 0.00 H +ATOM 1876 O1 TIP3A 626 27.339 29.007 4.576 1.00 0.00 O +ATOM 1877 H1 TIP3A 626 27.114 28.077 4.593 1.00 0.00 H +ATOM 1878 H2 TIP3A 626 26.750 29.384 3.922 1.00 0.00 H +ATOM 1879 O1 TIP3A 627 0.827 4.161 36.030 1.00 0.00 O +ATOM 1880 H1 TIP3A 627 1.281 3.980 35.207 1.00 0.00 H +ATOM 1881 H2 TIP3A 627 -0.000 4.564 35.765 1.00 0.00 H +ATOM 1882 O1 TIP3A 628 37.729 1.555 18.968 1.00 0.00 O +ATOM 1883 H1 TIP3A 628 37.843 0.894 19.650 1.00 0.00 H +ATOM 1884 H2 TIP3A 628 38.077 2.360 19.352 1.00 0.00 H +ATOM 1885 O1 TIP3A 629 2.976 36.809 24.843 1.00 0.00 O +ATOM 1886 H1 TIP3A 629 2.341 37.518 24.753 1.00 0.00 H +ATOM 1887 H2 TIP3A 629 2.766 36.207 24.128 1.00 0.00 H +ATOM 1888 O1 TIP3A 630 26.211 19.832 37.673 1.00 0.00 O +ATOM 1889 H1 TIP3A 630 26.100 19.269 36.908 1.00 0.00 H +ATOM 1890 H2 TIP3A 630 27.114 20.144 37.614 1.00 0.00 H +ATOM 1891 O1 TIP3A 631 10.502 22.342 3.310 1.00 0.00 O +ATOM 1892 H1 TIP3A 631 11.039 21.554 3.244 1.00 0.00 H +ATOM 1893 H2 TIP3A 631 9.767 22.087 3.868 1.00 0.00 H +ATOM 1894 O1 TIP3A 632 18.749 37.807 18.520 1.00 0.00 O +ATOM 1895 H1 TIP3A 632 19.481 38.399 18.690 1.00 0.00 H +ATOM 1896 H2 TIP3A 632 17.985 38.261 18.876 1.00 0.00 H +ATOM 1897 O1 TIP3A 633 4.232 21.695 9.498 1.00 0.00 O +ATOM 1898 H1 TIP3A 633 3.705 21.345 10.216 1.00 0.00 H +ATOM 1899 H2 TIP3A 633 5.091 21.860 9.889 1.00 0.00 H +ATOM 1900 O1 TIP3A 634 37.386 32.744 20.208 1.00 0.00 O +ATOM 1901 H1 TIP3A 634 37.417 33.619 20.594 1.00 0.00 H +ATOM 1902 H2 TIP3A 634 36.800 32.249 20.781 1.00 0.00 H +ATOM 1903 O1 TIP3A 635 24.301 0.890 11.214 1.00 0.00 O +ATOM 1904 H1 TIP3A 635 23.631 0.295 10.878 1.00 0.00 H +ATOM 1905 H2 TIP3A 635 24.090 1.737 10.819 1.00 0.00 H +ATOM 1906 O1 TIP3A 636 15.909 7.856 33.211 1.00 0.00 O +ATOM 1907 H1 TIP3A 636 16.427 7.053 33.252 1.00 0.00 H +ATOM 1908 H2 TIP3A 636 16.441 8.459 32.690 1.00 0.00 H +ATOM 1909 O1 TIP3A 637 8.496 29.703 12.316 1.00 0.00 O +ATOM 1910 H1 TIP3A 637 9.154 29.046 12.542 1.00 0.00 H +ATOM 1911 H2 TIP3A 637 8.817 30.094 11.503 1.00 0.00 H +ATOM 1912 O1 TIP3A 638 19.011 17.336 36.590 1.00 0.00 O +ATOM 1913 H1 TIP3A 638 19.322 16.498 36.250 1.00 0.00 H +ATOM 1914 H2 TIP3A 638 19.339 17.367 37.489 1.00 0.00 H +ATOM 1915 O1 TIP3A 639 13.392 19.511 18.505 1.00 0.00 O +ATOM 1916 H1 TIP3A 639 12.603 19.012 18.712 1.00 0.00 H +ATOM 1917 H2 TIP3A 639 14.113 18.949 18.790 1.00 0.00 H +ATOM 1918 O1 TIP3A 640 5.487 18.170 4.444 1.00 0.00 O +ATOM 1919 H1 TIP3A 640 5.176 18.933 4.929 1.00 0.00 H +ATOM 1920 H2 TIP3A 640 5.235 18.343 3.537 1.00 0.00 H +ATOM 1921 O1 TIP3A 641 33.470 14.024 34.247 1.00 0.00 O +ATOM 1922 H1 TIP3A 641 33.367 13.126 34.558 1.00 0.00 H +ATOM 1923 H2 TIP3A 641 34.413 14.123 34.108 1.00 0.00 H +ATOM 1924 O1 TIP3A 642 7.238 34.534 1.612 1.00 0.00 O +ATOM 1925 H1 TIP3A 642 7.944 34.926 1.098 1.00 0.00 H +ATOM 1926 H2 TIP3A 642 7.216 33.619 1.330 1.00 0.00 H +ATOM 1927 O1 TIP3A 643 3.685 2.491 35.096 1.00 0.00 O +ATOM 1928 H1 TIP3A 643 3.013 2.623 35.763 1.00 0.00 H +ATOM 1929 H2 TIP3A 643 4.030 1.615 35.272 1.00 0.00 H +ATOM 1930 O1 TIP3A 644 33.187 8.807 3.157 1.00 0.00 O +ATOM 1931 H1 TIP3A 644 32.277 8.809 2.862 1.00 0.00 H +ATOM 1932 H2 TIP3A 644 33.536 9.650 2.865 1.00 0.00 H +ATOM 1933 O1 TIP3A 645 2.401 35.279 37.583 1.00 0.00 O +ATOM 1934 H1 TIP3A 645 1.958 34.786 36.893 1.00 0.00 H +ATOM 1935 H2 TIP3A 645 1.750 35.352 38.281 1.00 0.00 H +ATOM 1936 O1 TIP3A 646 0.458 29.110 34.368 1.00 0.00 O +ATOM 1937 H1 TIP3A 646 1.127 29.279 33.706 1.00 0.00 H +ATOM 1938 H2 TIP3A 646 0.114 29.976 34.590 1.00 0.00 H +ATOM 1939 O1 TIP3A 647 11.636 6.539 31.000 1.00 0.00 O +ATOM 1940 H1 TIP3A 647 11.174 5.702 31.025 1.00 0.00 H +ATOM 1941 H2 TIP3A 647 12.509 6.342 31.342 1.00 0.00 H +ATOM 1942 O1 TIP3A 648 28.877 20.434 30.496 1.00 0.00 O +ATOM 1943 H1 TIP3A 648 28.282 20.035 31.130 1.00 0.00 H +ATOM 1944 H2 TIP3A 648 29.321 21.127 30.987 1.00 0.00 H +ATOM 1945 O1 TIP3A 649 24.457 28.158 21.959 1.00 0.00 O +ATOM 1946 H1 TIP3A 649 24.546 27.721 22.805 1.00 0.00 H +ATOM 1947 H2 TIP3A 649 24.523 29.092 22.162 1.00 0.00 H +ATOM 1948 O1 TIP3A 650 7.628 33.231 8.330 1.00 0.00 O +ATOM 1949 H1 TIP3A 650 7.444 33.681 9.153 1.00 0.00 H +ATOM 1950 H2 TIP3A 650 7.492 33.897 7.656 1.00 0.00 H +ATOM 1951 O1 TIP3A 651 7.235 36.709 28.147 1.00 0.00 O +ATOM 1952 H1 TIP3A 651 6.418 36.213 28.192 1.00 0.00 H +ATOM 1953 H2 TIP3A 651 7.090 37.350 27.451 1.00 0.00 H +ATOM 1954 O1 TIP3A 652 34.711 33.350 0.490 1.00 0.00 O +ATOM 1955 H1 TIP3A 652 34.594 32.402 0.435 1.00 0.00 H +ATOM 1956 H2 TIP3A 652 35.648 33.468 0.647 1.00 0.00 H +ATOM 1957 O1 TIP3A 653 22.276 27.800 35.083 1.00 0.00 O +ATOM 1958 H1 TIP3A 653 22.828 28.504 34.744 1.00 0.00 H +ATOM 1959 H2 TIP3A 653 22.128 28.030 36.000 1.00 0.00 H +ATOM 1960 O1 TIP3A 654 0.524 23.783 21.809 1.00 0.00 O +ATOM 1961 H1 TIP3A 654 0.241 24.696 21.847 1.00 0.00 H +ATOM 1962 H2 TIP3A 654 1.210 23.771 21.141 1.00 0.00 H +ATOM 1963 O1 TIP3A 655 21.323 32.297 2.928 1.00 0.00 O +ATOM 1964 H1 TIP3A 655 21.787 33.125 3.053 1.00 0.00 H +ATOM 1965 H2 TIP3A 655 21.192 31.959 3.814 1.00 0.00 H +ATOM 1966 O1 TIP3A 656 2.268 24.445 17.210 1.00 0.00 O +ATOM 1967 H1 TIP3A 656 1.804 24.446 16.373 1.00 0.00 H +ATOM 1968 H2 TIP3A 656 2.947 25.112 17.109 1.00 0.00 H +ATOM 1969 O1 TIP3A 657 14.447 11.925 34.179 1.00 0.00 O +ATOM 1970 H1 TIP3A 657 13.512 11.967 34.379 1.00 0.00 H +ATOM 1971 H2 TIP3A 657 14.622 12.724 33.682 1.00 0.00 H +ATOM 1972 O1 TIP3A 658 16.584 0.002 8.571 1.00 0.00 O +ATOM 1973 H1 TIP3A 658 16.877 0.000 7.660 1.00 0.00 H +ATOM 1974 H2 TIP3A 658 17.391 0.074 9.082 1.00 0.00 H +ATOM 1975 O1 TIP3A 659 6.933 30.030 8.929 1.00 0.00 O +ATOM 1976 H1 TIP3A 659 6.768 30.604 9.676 1.00 0.00 H +ATOM 1977 H2 TIP3A 659 7.438 29.302 9.292 1.00 0.00 H +ATOM 1978 O1 TIP3A 660 27.372 19.211 34.624 1.00 0.00 O +ATOM 1979 H1 TIP3A 660 27.057 20.070 34.904 1.00 0.00 H +ATOM 1980 H2 TIP3A 660 27.972 19.399 33.902 1.00 0.00 H +ATOM 1981 O1 TIP3A 661 15.278 17.161 20.493 1.00 0.00 O +ATOM 1982 H1 TIP3A 661 15.618 17.029 21.377 1.00 0.00 H +ATOM 1983 H2 TIP3A 661 15.454 18.084 20.304 1.00 0.00 H +ATOM 1984 O1 TIP3A 662 26.298 27.984 36.602 1.00 0.00 O +ATOM 1985 H1 TIP3A 662 27.246 28.109 36.568 1.00 0.00 H +ATOM 1986 H2 TIP3A 662 25.943 28.869 36.698 1.00 0.00 H +ATOM 1987 O1 TIP3A 663 15.185 28.109 26.207 1.00 0.00 O +ATOM 1988 H1 TIP3A 663 14.964 28.883 25.691 1.00 0.00 H +ATOM 1989 H2 TIP3A 663 14.625 27.417 25.853 1.00 0.00 H +ATOM 1990 O1 TIP3A 664 37.353 11.527 12.859 1.00 0.00 O +ATOM 1991 H1 TIP3A 664 36.851 12.240 13.252 1.00 0.00 H +ATOM 1992 H2 TIP3A 664 36.788 10.758 12.946 1.00 0.00 H +ATOM 1993 O1 TIP3A 665 23.923 10.857 36.736 1.00 0.00 O +ATOM 1994 H1 TIP3A 665 22.995 10.706 36.557 1.00 0.00 H +ATOM 1995 H2 TIP3A 665 24.196 11.493 36.074 1.00 0.00 H +ATOM 1996 O1 TIP3A 666 37.191 28.676 23.269 1.00 0.00 O +ATOM 1997 H1 TIP3A 666 37.360 29.458 22.745 1.00 0.00 H +ATOM 1998 H2 TIP3A 666 36.433 28.908 23.808 1.00 0.00 H +ATOM 1999 O1 TIP3A 667 34.553 12.753 16.763 1.00 0.00 O +ATOM 2000 H1 TIP3A 667 33.914 12.193 17.201 1.00 0.00 H +ATOM 2001 H2 TIP3A 667 34.119 13.604 16.692 1.00 0.00 H +ATOM 2002 O1 TIP3A 668 18.286 14.459 38.134 1.00 0.00 O +ATOM 2003 H1 TIP3A 668 18.651 15.331 37.990 1.00 0.00 H +ATOM 2004 H2 TIP3A 668 17.457 14.463 37.654 1.00 0.00 H +ATOM 2005 O1 TIP3A 669 12.074 15.622 3.421 1.00 0.00 O +ATOM 2006 H1 TIP3A 669 12.407 16.387 3.887 1.00 0.00 H +ATOM 2007 H2 TIP3A 669 12.179 15.841 2.494 1.00 0.00 H +ATOM 2008 O1 TIP3A 670 35.140 23.723 1.162 1.00 0.00 O +ATOM 2009 H1 TIP3A 670 35.505 24.192 0.413 1.00 0.00 H +ATOM 2010 H2 TIP3A 670 34.626 24.381 1.630 1.00 0.00 H +ATOM 2011 O1 TIP3A 671 24.653 13.537 23.760 1.00 0.00 O +ATOM 2012 H1 TIP3A 671 25.561 13.838 23.787 1.00 0.00 H +ATOM 2013 H2 TIP3A 671 24.154 14.242 24.173 1.00 0.00 H +ATOM 2014 O1 TIP3A 672 31.842 0.558 17.150 1.00 0.00 O +ATOM 2015 H1 TIP3A 672 31.538 0.050 17.901 1.00 0.00 H +ATOM 2016 H2 TIP3A 672 32.501 0.001 16.734 1.00 0.00 H +ATOM 2017 O1 TIP3A 673 15.586 5.886 0.326 1.00 0.00 O +ATOM 2018 H1 TIP3A 673 15.671 5.758 1.270 1.00 0.00 H +ATOM 2019 H2 TIP3A 673 15.243 5.054 0.000 1.00 0.00 H +ATOM 2020 O1 TIP3A 674 25.054 17.163 33.908 1.00 0.00 O +ATOM 2021 H1 TIP3A 674 25.191 16.392 34.457 1.00 0.00 H +ATOM 2022 H2 TIP3A 674 25.936 17.489 33.727 1.00 0.00 H +ATOM 2023 O1 TIP3A 675 28.611 26.398 15.738 1.00 0.00 O +ATOM 2024 H1 TIP3A 675 28.225 26.117 14.909 1.00 0.00 H +ATOM 2025 H2 TIP3A 675 29.537 26.167 15.663 1.00 0.00 H +ATOM 2026 O1 TIP3A 676 38.047 8.863 32.575 1.00 0.00 O +ATOM 2027 H1 TIP3A 676 38.400 8.027 32.273 1.00 0.00 H +ATOM 2028 H2 TIP3A 676 37.372 8.623 33.211 1.00 0.00 H +ATOM 2029 O1 TIP3A 677 35.057 33.074 33.245 1.00 0.00 O +ATOM 2030 H1 TIP3A 677 34.530 32.282 33.342 1.00 0.00 H +ATOM 2031 H2 TIP3A 677 35.835 32.787 32.765 1.00 0.00 H +ATOM 2032 O1 TIP3A 678 24.791 13.068 13.333 1.00 0.00 O +ATOM 2033 H1 TIP3A 678 25.443 13.758 13.452 1.00 0.00 H +ATOM 2034 H2 TIP3A 678 24.107 13.272 13.972 1.00 0.00 H +ATOM 2035 O1 TIP3A 679 20.333 8.907 9.292 1.00 0.00 O +ATOM 2036 H1 TIP3A 679 20.089 8.003 9.095 1.00 0.00 H +ATOM 2037 H2 TIP3A 679 20.413 9.326 8.434 1.00 0.00 H +ATOM 2038 O1 TIP3A 680 1.161 1.096 29.000 1.00 0.00 O +ATOM 2039 H1 TIP3A 680 1.100 1.931 28.537 1.00 0.00 H +ATOM 2040 H2 TIP3A 680 0.889 1.298 29.895 1.00 0.00 H +ATOM 2041 O1 TIP3A 681 22.717 30.511 6.959 1.00 0.00 O +ATOM 2042 H1 TIP3A 681 22.025 29.907 6.693 1.00 0.00 H +ATOM 2043 H2 TIP3A 681 22.269 31.346 7.093 1.00 0.00 H +ATOM 2044 O1 TIP3A 682 28.759 26.724 28.039 1.00 0.00 O +ATOM 2045 H1 TIP3A 682 28.351 27.586 28.119 1.00 0.00 H +ATOM 2046 H2 TIP3A 682 28.496 26.260 28.834 1.00 0.00 H +ATOM 2047 O1 TIP3A 683 11.811 31.232 10.689 1.00 0.00 O +ATOM 2048 H1 TIP3A 683 12.603 30.775 10.969 1.00 0.00 H +ATOM 2049 H2 TIP3A 683 11.945 32.138 10.967 1.00 0.00 H +ATOM 2050 O1 TIP3A 684 16.392 9.065 10.391 1.00 0.00 O +ATOM 2051 H1 TIP3A 684 15.454 9.157 10.231 1.00 0.00 H +ATOM 2052 H2 TIP3A 684 16.790 9.794 9.913 1.00 0.00 H +ATOM 2053 O1 TIP3A 685 25.437 38.016 15.718 1.00 0.00 O +ATOM 2054 H1 TIP3A 685 25.584 37.096 15.937 1.00 0.00 H +ATOM 2055 H2 TIP3A 685 26.314 38.399 15.688 1.00 0.00 H +ATOM 2056 O1 TIP3A 686 7.410 8.494 32.947 1.00 0.00 O +ATOM 2057 H1 TIP3A 686 8.211 8.824 32.541 1.00 0.00 H +ATOM 2058 H2 TIP3A 686 6.754 9.169 32.767 1.00 0.00 H +ATOM 2059 O1 TIP3A 687 12.789 22.871 19.390 1.00 0.00 O +ATOM 2060 H1 TIP3A 687 12.912 22.653 20.314 1.00 0.00 H +ATOM 2061 H2 TIP3A 687 12.620 22.030 18.965 1.00 0.00 H +ATOM 2062 O1 TIP3A 688 19.259 17.503 25.524 1.00 0.00 O +ATOM 2063 H1 TIP3A 688 20.097 17.135 25.801 1.00 0.00 H +ATOM 2064 H2 TIP3A 688 19.192 18.333 25.998 1.00 0.00 H +ATOM 2065 O1 TIP3A 689 1.836 9.478 27.585 1.00 0.00 O +ATOM 2066 H1 TIP3A 689 1.241 8.732 27.644 1.00 0.00 H +ATOM 2067 H2 TIP3A 689 2.524 9.191 26.984 1.00 0.00 H +ATOM 2068 O1 TIP3A 690 8.734 29.234 6.102 1.00 0.00 O +ATOM 2069 H1 TIP3A 690 9.265 30.016 5.955 1.00 0.00 H +ATOM 2070 H2 TIP3A 690 8.888 28.690 5.330 1.00 0.00 H +ATOM 2071 O1 TIP3A 691 37.705 15.631 24.133 1.00 0.00 O +ATOM 2072 H1 TIP3A 691 36.942 15.283 23.673 1.00 0.00 H +ATOM 2073 H2 TIP3A 691 38.400 15.641 23.474 1.00 0.00 H +ATOM 2074 O1 TIP3A 692 0.281 15.139 20.609 1.00 0.00 O +ATOM 2075 H1 TIP3A 692 1.011 15.394 21.172 1.00 0.00 H +ATOM 2076 H2 TIP3A 692 0.656 14.495 20.007 1.00 0.00 H +ATOM 2077 O1 TIP3A 693 10.800 19.203 34.766 1.00 0.00 O +ATOM 2078 H1 TIP3A 693 10.045 19.737 35.011 1.00 0.00 H +ATOM 2079 H2 TIP3A 693 10.997 18.691 35.551 1.00 0.00 H +ATOM 2080 O1 TIP3A 694 11.111 26.911 18.858 1.00 0.00 O +ATOM 2081 H1 TIP3A 694 10.483 27.561 18.543 1.00 0.00 H +ATOM 2082 H2 TIP3A 694 11.446 27.278 19.676 1.00 0.00 H +ATOM 2083 O1 TIP3A 695 11.610 18.302 21.726 1.00 0.00 O +ATOM 2084 H1 TIP3A 695 11.529 19.225 21.961 1.00 0.00 H +ATOM 2085 H2 TIP3A 695 11.114 18.216 20.911 1.00 0.00 H +ATOM 2086 O1 TIP3A 696 3.980 30.657 8.655 1.00 0.00 O +ATOM 2087 H1 TIP3A 696 3.238 30.757 9.250 1.00 0.00 H +ATOM 2088 H2 TIP3A 696 4.632 31.279 8.978 1.00 0.00 H +ATOM 2089 O1 TIP3A 697 24.659 15.453 16.739 1.00 0.00 O +ATOM 2090 H1 TIP3A 697 23.776 15.415 16.374 1.00 0.00 H +ATOM 2091 H2 TIP3A 697 24.568 15.105 17.627 1.00 0.00 H +ATOM 2092 O1 TIP3A 698 10.039 15.660 7.894 1.00 0.00 O +ATOM 2093 H1 TIP3A 698 10.054 16.607 7.764 1.00 0.00 H +ATOM 2094 H2 TIP3A 698 9.530 15.536 8.696 1.00 0.00 H +ATOM 2095 O1 TIP3A 699 37.240 34.345 17.310 1.00 0.00 O +ATOM 2096 H1 TIP3A 699 36.757 35.166 17.219 1.00 0.00 H +ATOM 2097 H2 TIP3A 699 36.748 33.848 17.963 1.00 0.00 H +ATOM 2098 O1 TIP3A 700 2.276 28.026 28.066 1.00 0.00 O +ATOM 2099 H1 TIP3A 700 1.880 28.643 27.451 1.00 0.00 H +ATOM 2100 H2 TIP3A 700 2.597 27.311 27.516 1.00 0.00 H +ATOM 2101 O1 TIP3A 701 23.704 35.968 16.087 1.00 0.00 O +ATOM 2102 H1 TIP3A 701 23.388 36.870 16.128 1.00 0.00 H +ATOM 2103 H2 TIP3A 701 23.161 35.495 16.719 1.00 0.00 H +ATOM 2104 O1 TIP3A 702 17.646 37.251 27.414 1.00 0.00 O +ATOM 2105 H1 TIP3A 702 18.164 36.649 26.882 1.00 0.00 H +ATOM 2106 H2 TIP3A 702 16.755 36.903 27.372 1.00 0.00 H +ATOM 2107 O1 TIP3A 703 0.271 0.097 14.021 1.00 0.00 O +ATOM 2108 H1 TIP3A 703 1.223 0.043 14.099 1.00 0.00 H +ATOM 2109 H2 TIP3A 703 0.012 0.743 14.678 1.00 0.00 H +ATOM 2110 O1 TIP3A 704 6.911 14.430 16.181 1.00 0.00 O +ATOM 2111 H1 TIP3A 704 7.132 15.265 16.592 1.00 0.00 H +ATOM 2112 H2 TIP3A 704 6.154 14.113 16.675 1.00 0.00 H +ATOM 2113 O1 TIP3A 705 34.425 26.109 21.318 1.00 0.00 O +ATOM 2114 H1 TIP3A 705 35.124 25.580 21.701 1.00 0.00 H +ATOM 2115 H2 TIP3A 705 33.810 25.470 20.959 1.00 0.00 H +ATOM 2116 O1 TIP3A 706 16.669 22.711 9.055 1.00 0.00 O +ATOM 2117 H1 TIP3A 706 16.218 23.180 9.756 1.00 0.00 H +ATOM 2118 H2 TIP3A 706 17.301 23.343 8.712 1.00 0.00 H +ATOM 2119 O1 TIP3A 707 17.665 32.033 27.217 1.00 0.00 O +ATOM 2120 H1 TIP3A 707 16.994 32.534 27.679 1.00 0.00 H +ATOM 2121 H2 TIP3A 707 17.193 31.594 26.509 1.00 0.00 H +ATOM 2122 O1 TIP3A 708 10.841 8.450 19.986 1.00 0.00 O +ATOM 2123 H1 TIP3A 708 10.154 8.938 19.534 1.00 0.00 H +ATOM 2124 H2 TIP3A 708 11.005 8.950 20.786 1.00 0.00 H +ATOM 2125 O1 TIP3A 709 17.123 25.055 6.794 1.00 0.00 O +ATOM 2126 H1 TIP3A 709 16.363 24.659 7.219 1.00 0.00 H +ATOM 2127 H2 TIP3A 709 17.786 25.103 7.483 1.00 0.00 H +ATOM 2128 O1 TIP3A 710 8.315 17.713 35.923 1.00 0.00 O +ATOM 2129 H1 TIP3A 710 8.300 18.661 35.793 1.00 0.00 H +ATOM 2130 H2 TIP3A 710 7.888 17.580 36.769 1.00 0.00 H +ATOM 2131 O1 TIP3A 711 28.647 22.511 0.970 1.00 0.00 O +ATOM 2132 H1 TIP3A 711 29.311 21.825 0.909 1.00 0.00 H +ATOM 2133 H2 TIP3A 711 28.533 22.652 1.910 1.00 0.00 H +ATOM 2134 O1 TIP3A 712 14.080 5.889 14.498 1.00 0.00 O +ATOM 2135 H1 TIP3A 712 14.736 5.195 14.546 1.00 0.00 H +ATOM 2136 H2 TIP3A 712 14.368 6.536 15.143 1.00 0.00 H +ATOM 2137 O1 TIP3A 713 16.657 0.862 21.515 1.00 0.00 O +ATOM 2138 H1 TIP3A 713 16.920 1.592 22.074 1.00 0.00 H +ATOM 2139 H2 TIP3A 713 17.482 0.454 21.248 1.00 0.00 H +ATOM 2140 O1 TIP3A 714 7.253 3.882 21.930 1.00 0.00 O +ATOM 2141 H1 TIP3A 714 6.342 4.175 21.922 1.00 0.00 H +ATOM 2142 H2 TIP3A 714 7.708 4.496 21.354 1.00 0.00 H +ATOM 2143 O1 TIP3A 715 3.612 2.669 28.936 1.00 0.00 O +ATOM 2144 H1 TIP3A 715 3.937 3.538 29.171 1.00 0.00 H +ATOM 2145 H2 TIP3A 715 4.332 2.267 28.449 1.00 0.00 H +ATOM 2146 O1 TIP3A 716 0.917 31.215 27.443 1.00 0.00 O +ATOM 2147 H1 TIP3A 716 0.000 31.447 27.584 1.00 0.00 H +ATOM 2148 H2 TIP3A 716 1.015 31.194 26.490 1.00 0.00 H +ATOM 2149 O1 TIP3A 717 22.182 17.413 32.009 1.00 0.00 O +ATOM 2150 H1 TIP3A 717 21.720 16.636 32.321 1.00 0.00 H +ATOM 2151 H2 TIP3A 717 22.332 17.936 32.797 1.00 0.00 H +ATOM 2152 O1 TIP3A 718 15.837 26.557 24.044 1.00 0.00 O +ATOM 2153 H1 TIP3A 718 15.170 27.170 23.736 1.00 0.00 H +ATOM 2154 H2 TIP3A 718 15.350 25.761 24.261 1.00 0.00 H +ATOM 2155 O1 TIP3A 719 16.379 1.587 11.123 1.00 0.00 O +ATOM 2156 H1 TIP3A 719 17.038 1.834 10.476 1.00 0.00 H +ATOM 2157 H2 TIP3A 719 16.294 2.357 11.686 1.00 0.00 H +ATOM 2158 O1 TIP3A 720 2.655 24.007 8.039 1.00 0.00 O +ATOM 2159 H1 TIP3A 720 3.447 23.799 7.546 1.00 0.00 H +ATOM 2160 H2 TIP3A 720 2.033 24.312 7.377 1.00 0.00 H +ATOM 2161 O1 TIP3A 721 27.441 0.325 4.834 1.00 0.00 O +ATOM 2162 H1 TIP3A 721 26.850 0.985 4.472 1.00 0.00 H +ATOM 2163 H2 TIP3A 721 27.967 0.801 5.478 1.00 0.00 H +ATOM 2164 O1 TIP3A 722 27.548 2.274 27.750 1.00 0.00 O +ATOM 2165 H1 TIP3A 722 27.448 2.768 26.937 1.00 0.00 H +ATOM 2166 H2 TIP3A 722 28.313 2.662 28.174 1.00 0.00 H +ATOM 2167 O1 TIP3A 723 17.907 31.376 36.160 1.00 0.00 O +ATOM 2168 H1 TIP3A 723 17.105 31.539 35.665 1.00 0.00 H +ATOM 2169 H2 TIP3A 723 17.872 30.443 36.372 1.00 0.00 H +ATOM 2170 O1 TIP3A 724 0.281 3.288 15.921 1.00 0.00 O +ATOM 2171 H1 TIP3A 724 0.812 3.082 15.152 1.00 0.00 H +ATOM 2172 H2 TIP3A 724 0.291 2.484 16.441 1.00 0.00 H +ATOM 2173 O1 TIP3A 725 10.495 3.616 37.035 1.00 0.00 O +ATOM 2174 H1 TIP3A 725 9.980 4.006 37.741 1.00 0.00 H +ATOM 2175 H2 TIP3A 725 10.279 2.683 37.067 1.00 0.00 H +ATOM 2176 O1 TIP3A 726 35.603 11.280 34.129 1.00 0.00 O +ATOM 2177 H1 TIP3A 726 36.461 11.690 34.234 1.00 0.00 H +ATOM 2178 H2 TIP3A 726 35.182 11.779 33.428 1.00 0.00 H +ATOM 2179 O1 TIP3A 727 36.742 7.383 8.828 1.00 0.00 O +ATOM 2180 H1 TIP3A 727 36.058 6.727 8.962 1.00 0.00 H +ATOM 2181 H2 TIP3A 727 37.554 6.937 9.070 1.00 0.00 H +ATOM 2182 O1 TIP3A 728 20.449 4.778 38.250 1.00 0.00 O +ATOM 2183 H1 TIP3A 728 20.914 5.610 38.338 1.00 0.00 H +ATOM 2184 H2 TIP3A 728 20.925 4.308 37.565 1.00 0.00 H +ATOM 2185 O1 TIP3A 729 26.407 21.083 16.072 1.00 0.00 O +ATOM 2186 H1 TIP3A 729 25.837 20.575 15.495 1.00 0.00 H +ATOM 2187 H2 TIP3A 729 25.912 21.163 16.888 1.00 0.00 H +ATOM 2188 O1 TIP3A 730 31.818 26.454 2.594 1.00 0.00 O +ATOM 2189 H1 TIP3A 730 31.814 26.324 1.646 1.00 0.00 H +ATOM 2190 H2 TIP3A 730 31.055 27.006 2.764 1.00 0.00 H +ATOM 2191 O1 TIP3A 731 29.627 22.364 23.063 1.00 0.00 O +ATOM 2192 H1 TIP3A 731 30.314 22.977 22.802 1.00 0.00 H +ATOM 2193 H2 TIP3A 731 29.882 21.532 22.663 1.00 0.00 H +ATOM 2194 O1 TIP3A 732 32.719 14.377 3.661 1.00 0.00 O +ATOM 2195 H1 TIP3A 732 33.378 13.759 3.346 1.00 0.00 H +ATOM 2196 H2 TIP3A 732 33.153 14.847 4.374 1.00 0.00 H +ATOM 2197 O1 TIP3A 733 14.988 24.244 17.612 1.00 0.00 O +ATOM 2198 H1 TIP3A 733 15.026 23.596 16.909 1.00 0.00 H +ATOM 2199 H2 TIP3A 733 14.389 23.865 18.256 1.00 0.00 H +ATOM 2200 O1 TIP3A 734 29.100 5.075 25.777 1.00 0.00 O +ATOM 2201 H1 TIP3A 734 29.398 4.213 26.065 1.00 0.00 H +ATOM 2202 H2 TIP3A 734 28.516 4.894 25.041 1.00 0.00 H +ATOM 2203 O1 TIP3A 735 34.886 4.416 14.660 1.00 0.00 O +ATOM 2204 H1 TIP3A 735 34.518 5.286 14.813 1.00 0.00 H +ATOM 2205 H2 TIP3A 735 35.823 4.570 14.534 1.00 0.00 H +ATOM 2206 O1 TIP3A 736 30.504 12.260 27.731 1.00 0.00 O +ATOM 2207 H1 TIP3A 736 30.195 11.591 27.121 1.00 0.00 H +ATOM 2208 H2 TIP3A 736 31.006 12.868 27.187 1.00 0.00 H +ATOM 2209 O1 TIP3A 737 0.353 18.727 38.324 1.00 0.00 O +ATOM 2210 H1 TIP3A 737 0.533 19.403 37.670 1.00 0.00 H +ATOM 2211 H2 TIP3A 737 1.176 18.242 38.400 1.00 0.00 H +ATOM 2212 O1 TIP3A 738 6.452 26.295 22.931 1.00 0.00 O +ATOM 2213 H1 TIP3A 738 5.695 25.745 22.731 1.00 0.00 H +ATOM 2214 H2 TIP3A 738 6.830 25.905 23.720 1.00 0.00 H +ATOM 2215 O1 TIP3A 739 29.207 6.252 27.634 1.00 0.00 O +ATOM 2216 H1 TIP3A 739 30.121 6.000 27.759 1.00 0.00 H +ATOM 2217 H2 TIP3A 739 29.007 6.811 28.385 1.00 0.00 H +ATOM 2218 O1 TIP3A 740 38.145 23.047 17.690 1.00 0.00 O +ATOM 2219 H1 TIP3A 740 37.214 23.236 17.807 1.00 0.00 H +ATOM 2220 H2 TIP3A 740 38.399 23.560 16.922 1.00 0.00 H +ATOM 2221 O1 TIP3A 741 29.997 2.036 34.680 1.00 0.00 O +ATOM 2222 H1 TIP3A 741 29.910 1.223 34.184 1.00 0.00 H +ATOM 2223 H2 TIP3A 741 30.939 2.131 34.824 1.00 0.00 H +ATOM 2224 O1 TIP3A 742 28.142 27.240 2.278 1.00 0.00 O +ATOM 2225 H1 TIP3A 742 27.486 27.930 2.374 1.00 0.00 H +ATOM 2226 H2 TIP3A 742 28.453 27.329 1.377 1.00 0.00 H +ATOM 2227 O1 TIP3A 743 15.524 35.037 12.677 1.00 0.00 O +ATOM 2228 H1 TIP3A 743 14.970 34.257 12.690 1.00 0.00 H +ATOM 2229 H2 TIP3A 743 15.102 35.622 12.047 1.00 0.00 H +ATOM 2230 O1 TIP3A 744 4.784 7.290 16.657 1.00 0.00 O +ATOM 2231 H1 TIP3A 744 4.719 7.181 15.709 1.00 0.00 H +ATOM 2232 H2 TIP3A 744 4.664 8.230 16.799 1.00 0.00 H +ATOM 2233 O1 TIP3A 745 27.343 11.711 33.779 1.00 0.00 O +ATOM 2234 H1 TIP3A 745 27.707 12.010 34.611 1.00 0.00 H +ATOM 2235 H2 TIP3A 745 26.412 11.575 33.959 1.00 0.00 H +ATOM 2236 O1 TIP3A 746 14.196 32.393 21.724 1.00 0.00 O +ATOM 2237 H1 TIP3A 746 14.224 32.116 22.639 1.00 0.00 H +ATOM 2238 H2 TIP3A 746 15.004 32.049 21.344 1.00 0.00 H +ATOM 2239 O1 TIP3A 747 33.464 16.374 9.715 1.00 0.00 O +ATOM 2240 H1 TIP3A 747 32.607 15.956 9.783 1.00 0.00 H +ATOM 2241 H2 TIP3A 747 33.753 16.478 10.622 1.00 0.00 H +ATOM 2242 O1 TIP3A 748 0.873 2.671 33.477 1.00 0.00 O +ATOM 2243 H1 TIP3A 748 1.140 1.756 33.558 1.00 0.00 H +ATOM 2244 H2 TIP3A 748 0.000 2.633 33.086 1.00 0.00 H +ATOM 2245 O1 TIP3A 749 2.603 0.920 3.936 1.00 0.00 O +ATOM 2246 H1 TIP3A 749 2.832 0.000 4.064 1.00 0.00 H +ATOM 2247 H2 TIP3A 749 1.651 0.917 3.827 1.00 0.00 H +ATOM 2248 O1 TIP3A 750 5.522 26.868 30.103 1.00 0.00 O +ATOM 2249 H1 TIP3A 750 5.699 27.455 29.368 1.00 0.00 H +ATOM 2250 H2 TIP3A 750 6.353 26.818 30.576 1.00 0.00 H +ATOM 2251 O1 TIP3A 751 20.696 3.965 16.349 1.00 0.00 O +ATOM 2252 H1 TIP3A 751 20.277 4.455 15.642 1.00 0.00 H +ATOM 2253 H2 TIP3A 751 21.578 4.335 16.407 1.00 0.00 H +ATOM 2254 O1 TIP3A 752 29.639 12.263 30.509 1.00 0.00 O +ATOM 2255 H1 TIP3A 752 30.279 11.799 31.048 1.00 0.00 H +ATOM 2256 H2 TIP3A 752 29.543 11.718 29.727 1.00 0.00 H +ATOM 2257 O1 TIP3A 753 36.093 5.070 27.322 1.00 0.00 O +ATOM 2258 H1 TIP3A 753 35.498 4.365 27.574 1.00 0.00 H +ATOM 2259 H2 TIP3A 753 36.732 5.110 28.034 1.00 0.00 H +ATOM 2260 O1 TIP3A 754 25.175 27.636 15.906 1.00 0.00 O +ATOM 2261 H1 TIP3A 754 25.960 27.335 16.363 1.00 0.00 H +ATOM 2262 H2 TIP3A 754 25.281 28.586 15.846 1.00 0.00 H +ATOM 2263 O1 TIP3A 755 31.500 27.923 9.860 1.00 0.00 O +ATOM 2264 H1 TIP3A 755 32.202 27.620 9.286 1.00 0.00 H +ATOM 2265 H2 TIP3A 755 31.201 27.134 10.313 1.00 0.00 H +ATOM 2266 O1 TIP3A 756 10.543 22.285 11.677 1.00 0.00 O +ATOM 2267 H1 TIP3A 756 10.281 21.666 10.996 1.00 0.00 H +ATOM 2268 H2 TIP3A 756 11.475 22.436 11.520 1.00 0.00 H +ATOM 2269 O1 TIP3A 757 21.590 11.754 14.020 1.00 0.00 O +ATOM 2270 H1 TIP3A 757 21.330 12.076 13.158 1.00 0.00 H +ATOM 2271 H2 TIP3A 757 21.975 12.516 14.456 1.00 0.00 H +ATOM 2272 O1 TIP3A 758 18.072 11.251 5.556 1.00 0.00 O +ATOM 2273 H1 TIP3A 758 18.934 11.088 5.174 1.00 0.00 H +ATOM 2274 H2 TIP3A 758 17.461 10.804 4.968 1.00 0.00 H +ATOM 2275 O1 TIP3A 759 15.059 30.555 19.212 1.00 0.00 O +ATOM 2276 H1 TIP3A 759 14.861 29.657 19.475 1.00 0.00 H +ATOM 2277 H2 TIP3A 759 15.881 30.487 18.724 1.00 0.00 H +ATOM 2278 O1 TIP3A 760 17.785 21.068 25.656 1.00 0.00 O +ATOM 2279 H1 TIP3A 760 16.913 20.831 25.969 1.00 0.00 H +ATOM 2280 H2 TIP3A 760 18.380 20.739 26.330 1.00 0.00 H +ATOM 2281 O1 TIP3A 761 26.291 13.564 4.348 1.00 0.00 O +ATOM 2282 H1 TIP3A 761 25.971 13.079 5.108 1.00 0.00 H +ATOM 2283 H2 TIP3A 761 26.649 12.892 3.768 1.00 0.00 H +ATOM 2284 O1 TIP3A 762 26.368 9.221 1.468 1.00 0.00 O +ATOM 2285 H1 TIP3A 762 27.071 9.677 1.006 1.00 0.00 H +ATOM 2286 H2 TIP3A 762 26.311 9.663 2.315 1.00 0.00 H +ATOM 2287 O1 TIP3A 763 9.851 13.777 6.557 1.00 0.00 O +ATOM 2288 H1 TIP3A 763 10.381 14.388 6.046 1.00 0.00 H +ATOM 2289 H2 TIP3A 763 10.102 12.912 6.232 1.00 0.00 H +ATOM 2290 O1 TIP3A 764 24.484 2.849 27.278 1.00 0.00 O +ATOM 2291 H1 TIP3A 764 24.299 2.010 26.858 1.00 0.00 H +ATOM 2292 H2 TIP3A 764 24.807 2.615 28.149 1.00 0.00 H +ATOM 2293 O1 TIP3A 765 21.019 13.473 6.613 1.00 0.00 O +ATOM 2294 H1 TIP3A 765 21.863 13.922 6.578 1.00 0.00 H +ATOM 2295 H2 TIP3A 765 21.088 12.780 5.956 1.00 0.00 H +ATOM 2296 O1 TIP3A 766 11.255 26.506 3.186 1.00 0.00 O +ATOM 2297 H1 TIP3A 766 10.529 26.640 3.793 1.00 0.00 H +ATOM 2298 H2 TIP3A 766 11.660 25.687 3.473 1.00 0.00 H +ATOM 2299 O1 TIP3A 767 3.922 8.775 20.330 1.00 0.00 O +ATOM 2300 H1 TIP3A 767 3.861 9.709 20.525 1.00 0.00 H +ATOM 2301 H2 TIP3A 767 4.334 8.737 19.466 1.00 0.00 H +ATOM 2302 O1 TIP3A 768 18.343 3.814 20.818 1.00 0.00 O +ATOM 2303 H1 TIP3A 768 17.599 4.341 20.528 1.00 0.00 H +ATOM 2304 H2 TIP3A 768 19.020 3.970 20.159 1.00 0.00 H +ATOM 2305 O1 TIP3A 769 23.851 24.899 22.080 1.00 0.00 O +ATOM 2306 H1 TIP3A 769 24.297 25.722 21.884 1.00 0.00 H +ATOM 2307 H2 TIP3A 769 23.973 24.778 23.022 1.00 0.00 H +ATOM 2308 O1 TIP3A 770 14.875 26.350 28.142 1.00 0.00 O +ATOM 2309 H1 TIP3A 770 15.386 27.043 28.559 1.00 0.00 H +ATOM 2310 H2 TIP3A 770 15.479 25.949 27.517 1.00 0.00 H +ATOM 2311 O1 TIP3A 771 11.285 24.522 22.029 1.00 0.00 O +ATOM 2312 H1 TIP3A 771 11.730 23.689 22.178 1.00 0.00 H +ATOM 2313 H2 TIP3A 771 11.767 25.150 22.569 1.00 0.00 H +ATOM 2314 O1 TIP3A 772 0.625 34.762 6.332 1.00 0.00 O +ATOM 2315 H1 TIP3A 772 0.735 35.711 6.275 1.00 0.00 H +ATOM 2316 H2 TIP3A 772 0.105 34.628 7.125 1.00 0.00 H +ATOM 2317 O1 TIP3A 773 6.884 28.678 19.982 1.00 0.00 O +ATOM 2318 H1 TIP3A 773 6.726 28.762 19.042 1.00 0.00 H +ATOM 2319 H2 TIP3A 773 7.838 28.691 20.068 1.00 0.00 H +ATOM 2320 O1 TIP3A 774 21.282 10.866 17.136 1.00 0.00 O +ATOM 2321 H1 TIP3A 774 21.744 11.702 17.086 1.00 0.00 H +ATOM 2322 H2 TIP3A 774 21.102 10.746 18.069 1.00 0.00 H +ATOM 2323 O1 TIP3A 775 29.988 37.658 0.828 1.00 0.00 O +ATOM 2324 H1 TIP3A 775 29.090 37.332 0.778 1.00 0.00 H +ATOM 2325 H2 TIP3A 775 30.405 37.112 1.496 1.00 0.00 H +ATOM 2326 O1 TIP3A 776 9.893 26.159 34.475 1.00 0.00 O +ATOM 2327 H1 TIP3A 776 9.165 26.331 35.071 1.00 0.00 H +ATOM 2328 H2 TIP3A 776 10.166 25.265 34.680 1.00 0.00 H +ATOM 2329 O1 TIP3A 777 7.591 28.586 22.877 1.00 0.00 O +ATOM 2330 H1 TIP3A 777 8.489 28.708 22.569 1.00 0.00 H +ATOM 2331 H2 TIP3A 777 7.125 28.226 22.121 1.00 0.00 H +ATOM 2332 O1 TIP3A 778 28.114 15.593 24.752 1.00 0.00 O +ATOM 2333 H1 TIP3A 778 28.777 14.930 24.941 1.00 0.00 H +ATOM 2334 H2 TIP3A 778 27.738 15.325 23.913 1.00 0.00 H +ATOM 2335 O1 TIP3A 779 16.169 21.490 33.558 1.00 0.00 O +ATOM 2336 H1 TIP3A 779 16.045 22.421 33.375 1.00 0.00 H +ATOM 2337 H2 TIP3A 779 15.973 21.402 34.492 1.00 0.00 H +ATOM 2338 O1 TIP3A 780 31.552 7.113 29.004 1.00 0.00 O +ATOM 2339 H1 TIP3A 780 32.330 7.304 28.480 1.00 0.00 H +ATOM 2340 H2 TIP3A 780 30.934 7.809 28.779 1.00 0.00 H +ATOM 2341 O1 TIP3A 781 19.385 14.226 17.802 1.00 0.00 O +ATOM 2342 H1 TIP3A 781 18.629 13.649 17.903 1.00 0.00 H +ATOM 2343 H2 TIP3A 781 19.113 14.863 17.141 1.00 0.00 H +ATOM 2344 O1 TIP3A 782 25.999 29.125 30.142 1.00 0.00 O +ATOM 2345 H1 TIP3A 782 25.274 29.719 29.951 1.00 0.00 H +ATOM 2346 H2 TIP3A 782 26.665 29.342 29.488 1.00 0.00 H +ATOM 2347 O1 TIP3A 783 16.765 14.461 8.931 1.00 0.00 O +ATOM 2348 H1 TIP3A 783 17.588 14.259 9.373 1.00 0.00 H +ATOM 2349 H2 TIP3A 783 16.087 14.220 9.563 1.00 0.00 H +ATOM 2350 O1 TIP3A 784 21.822 27.252 26.035 1.00 0.00 O +ATOM 2351 H1 TIP3A 784 21.538 26.960 26.900 1.00 0.00 H +ATOM 2352 H2 TIP3A 784 21.894 28.204 26.114 1.00 0.00 H +ATOM 2353 O1 TIP3A 785 11.263 27.595 28.322 1.00 0.00 O +ATOM 2354 H1 TIP3A 785 11.442 28.532 28.392 1.00 0.00 H +ATOM 2355 H2 TIP3A 785 11.843 27.291 27.623 1.00 0.00 H +ATOM 2356 O1 TIP3A 786 17.956 27.100 25.499 1.00 0.00 O +ATOM 2357 H1 TIP3A 786 17.500 26.522 26.110 1.00 0.00 H +ATOM 2358 H2 TIP3A 786 18.516 26.515 24.986 1.00 0.00 H +ATOM 2359 O1 TIP3A 787 13.033 24.466 37.016 1.00 0.00 O +ATOM 2360 H1 TIP3A 787 13.337 23.845 37.677 1.00 0.00 H +ATOM 2361 H2 TIP3A 787 12.634 23.919 36.338 1.00 0.00 H +ATOM 2362 O1 TIP3A 788 6.417 2.595 32.770 1.00 0.00 O +ATOM 2363 H1 TIP3A 788 5.466 2.658 32.687 1.00 0.00 H +ATOM 2364 H2 TIP3A 788 6.678 1.987 32.078 1.00 0.00 H +ATOM 2365 O1 TIP3A 789 15.771 16.067 0.756 1.00 0.00 O +ATOM 2366 H1 TIP3A 789 16.057 15.181 0.536 1.00 0.00 H +ATOM 2367 H2 TIP3A 789 15.255 16.348 0.000 1.00 0.00 H +ATOM 2368 O1 TIP3A 790 23.282 12.977 30.738 1.00 0.00 O +ATOM 2369 H1 TIP3A 790 23.296 12.024 30.657 1.00 0.00 H +ATOM 2370 H2 TIP3A 790 24.008 13.179 31.329 1.00 0.00 H +ATOM 2371 O1 TIP3A 791 38.254 4.795 35.921 1.00 0.00 O +ATOM 2372 H1 TIP3A 791 37.478 5.216 36.290 1.00 0.00 H +ATOM 2373 H2 TIP3A 791 38.400 5.248 35.090 1.00 0.00 H +ATOM 2374 O1 TIP3A 792 5.168 16.818 26.352 1.00 0.00 O +ATOM 2375 H1 TIP3A 792 5.248 17.761 26.489 1.00 0.00 H +ATOM 2376 H2 TIP3A 792 4.356 16.716 25.855 1.00 0.00 H +ATOM 2377 O1 TIP3A 793 33.611 0.136 2.992 1.00 0.00 O +ATOM 2378 H1 TIP3A 793 33.700 1.081 2.867 1.00 0.00 H +ATOM 2379 H2 TIP3A 793 32.755 0.028 3.408 1.00 0.00 H +ATOM 2380 O1 TIP3A 794 29.783 32.382 9.172 1.00 0.00 O +ATOM 2381 H1 TIP3A 794 29.839 31.543 8.715 1.00 0.00 H +ATOM 2382 H2 TIP3A 794 30.515 32.368 9.789 1.00 0.00 H +ATOM 2383 O1 TIP3A 795 8.022 21.232 20.538 1.00 0.00 O +ATOM 2384 H1 TIP3A 795 7.992 22.134 20.222 1.00 0.00 H +ATOM 2385 H2 TIP3A 795 8.613 20.785 19.932 1.00 0.00 H +ATOM 2386 O1 TIP3A 796 21.990 19.711 25.687 1.00 0.00 O +ATOM 2387 H1 TIP3A 796 21.159 19.242 25.616 1.00 0.00 H +ATOM 2388 H2 TIP3A 796 22.368 19.665 24.809 1.00 0.00 H +ATOM 2389 O1 TIP3A 797 38.315 14.751 11.282 1.00 0.00 O +ATOM 2390 H1 TIP3A 797 37.957 15.636 11.341 1.00 0.00 H +ATOM 2391 H2 TIP3A 797 37.862 14.262 11.971 1.00 0.00 H +ATOM 2392 O1 TIP3A 798 11.199 24.114 9.211 1.00 0.00 O +ATOM 2393 H1 TIP3A 798 11.783 23.463 9.598 1.00 0.00 H +ATOM 2394 H2 TIP3A 798 10.967 24.691 9.939 1.00 0.00 H +ATOM 2395 O1 TIP3A 799 15.209 27.542 20.186 1.00 0.00 O +ATOM 2396 H1 TIP3A 799 15.755 26.757 20.200 1.00 0.00 H +ATOM 2397 H2 TIP3A 799 14.507 27.335 19.568 1.00 0.00 H +ATOM 2398 O1 TIP3A 800 12.308 19.776 3.449 1.00 0.00 O +ATOM 2399 H1 TIP3A 800 12.995 20.438 3.382 1.00 0.00 H +ATOM 2400 H2 TIP3A 800 11.961 19.878 4.336 1.00 0.00 H +ATOM 2401 O1 TIP3A 801 17.411 14.840 13.739 1.00 0.00 O +ATOM 2402 H1 TIP3A 801 17.941 15.526 14.142 1.00 0.00 H +ATOM 2403 H2 TIP3A 801 16.507 15.089 13.933 1.00 0.00 H +ATOM 2404 O1 TIP3A 802 11.884 9.557 4.112 1.00 0.00 O +ATOM 2405 H1 TIP3A 802 12.605 9.639 3.489 1.00 0.00 H +ATOM 2406 H2 TIP3A 802 12.272 9.776 4.960 1.00 0.00 H +ATOM 2407 O1 TIP3A 803 28.166 17.367 18.110 1.00 0.00 O +ATOM 2408 H1 TIP3A 803 28.790 16.643 18.062 1.00 0.00 H +ATOM 2409 H2 TIP3A 803 27.835 17.339 19.008 1.00 0.00 H +ATOM 2410 O1 TIP3A 804 16.900 34.736 27.720 1.00 0.00 O +ATOM 2411 H1 TIP3A 804 17.816 34.567 27.502 1.00 0.00 H +ATOM 2412 H2 TIP3A 804 16.456 34.781 26.873 1.00 0.00 H +ATOM 2413 O1 TIP3A 805 23.945 26.758 25.267 1.00 0.00 O +ATOM 2414 H1 TIP3A 805 23.625 27.525 24.793 1.00 0.00 H +ATOM 2415 H2 TIP3A 805 24.248 27.104 26.107 1.00 0.00 H +ATOM 2416 O1 TIP3A 806 7.729 8.481 10.037 1.00 0.00 O +ATOM 2417 H1 TIP3A 806 8.004 7.585 10.225 1.00 0.00 H +ATOM 2418 H2 TIP3A 806 6.808 8.403 9.785 1.00 0.00 H +ATOM 2419 O1 TIP3A 807 8.580 4.689 0.213 1.00 0.00 O +ATOM 2420 H1 TIP3A 807 7.844 4.433 0.767 1.00 0.00 H +ATOM 2421 H2 TIP3A 807 8.957 5.453 0.652 1.00 0.00 H +ATOM 2422 O1 TIP3A 808 35.557 28.658 5.091 1.00 0.00 O +ATOM 2423 H1 TIP3A 808 36.100 28.045 5.584 1.00 0.00 H +ATOM 2424 H2 TIP3A 808 35.914 28.634 4.202 1.00 0.00 H +ATOM 2425 O1 TIP3A 809 27.350 16.154 0.660 1.00 0.00 O +ATOM 2426 H1 TIP3A 809 28.238 15.857 0.466 1.00 0.00 H +ATOM 2427 H2 TIP3A 809 26.784 15.465 0.309 1.00 0.00 H +ATOM 2428 O1 TIP3A 810 20.352 22.513 16.199 1.00 0.00 O +ATOM 2429 H1 TIP3A 810 19.875 22.485 15.371 1.00 0.00 H +ATOM 2430 H2 TIP3A 810 21.132 23.035 16.009 1.00 0.00 H +ATOM 2431 O1 TIP3A 811 22.359 3.248 36.227 1.00 0.00 O +ATOM 2432 H1 TIP3A 811 22.902 3.565 36.947 1.00 0.00 H +ATOM 2433 H2 TIP3A 811 22.984 2.895 35.593 1.00 0.00 H +ATOM 2434 O1 TIP3A 812 23.915 11.390 19.714 1.00 0.00 O +ATOM 2435 H1 TIP3A 812 23.109 11.784 19.381 1.00 0.00 H +ATOM 2436 H2 TIP3A 812 24.589 11.657 19.089 1.00 0.00 H +ATOM 2437 O1 TIP3A 813 24.847 11.032 15.954 1.00 0.00 O +ATOM 2438 H1 TIP3A 813 23.910 11.005 15.765 1.00 0.00 H +ATOM 2439 H2 TIP3A 813 25.254 11.258 15.117 1.00 0.00 H +ATOM 2440 O1 TIP3A 814 32.683 9.424 14.264 1.00 0.00 O +ATOM 2441 H1 TIP3A 814 31.760 9.177 14.217 1.00 0.00 H +ATOM 2442 H2 TIP3A 814 33.110 8.678 14.686 1.00 0.00 H +ATOM 2443 O1 TIP3A 815 23.047 31.009 12.644 1.00 0.00 O +ATOM 2444 H1 TIP3A 815 23.504 31.824 12.439 1.00 0.00 H +ATOM 2445 H2 TIP3A 815 23.313 30.803 13.541 1.00 0.00 H +ATOM 2446 O1 TIP3A 816 4.025 34.501 35.912 1.00 0.00 O +ATOM 2447 H1 TIP3A 816 3.743 33.953 35.180 1.00 0.00 H +ATOM 2448 H2 TIP3A 816 4.892 34.168 36.142 1.00 0.00 H +ATOM 2449 O1 TIP3A 817 25.796 34.422 23.095 1.00 0.00 O +ATOM 2450 H1 TIP3A 817 25.192 33.941 23.660 1.00 0.00 H +ATOM 2451 H2 TIP3A 817 25.770 35.320 23.427 1.00 0.00 H +ATOM 2452 O1 TIP3A 818 30.787 37.457 11.863 1.00 0.00 O +ATOM 2453 H1 TIP3A 818 30.079 37.227 11.262 1.00 0.00 H +ATOM 2454 H2 TIP3A 818 30.915 38.398 11.734 1.00 0.00 H +ATOM 2455 O1 TIP3A 819 10.900 7.863 29.391 1.00 0.00 O +ATOM 2456 H1 TIP3A 819 10.397 8.621 29.099 1.00 0.00 H +ATOM 2457 H2 TIP3A 819 11.809 8.164 29.394 1.00 0.00 H +ATOM 2458 O1 TIP3A 820 16.943 13.159 15.080 1.00 0.00 O +ATOM 2459 H1 TIP3A 820 16.436 12.360 14.939 1.00 0.00 H +ATOM 2460 H2 TIP3A 820 17.115 13.172 16.022 1.00 0.00 H +ATOM 2461 O1 TIP3A 821 19.137 15.507 27.506 1.00 0.00 O +ATOM 2462 H1 TIP3A 821 20.056 15.244 27.499 1.00 0.00 H +ATOM 2463 H2 TIP3A 821 18.715 14.925 26.872 1.00 0.00 H +ATOM 2464 O1 TIP3A 822 2.240 6.157 35.597 1.00 0.00 O +ATOM 2465 H1 TIP3A 822 2.621 6.981 35.293 1.00 0.00 H +ATOM 2466 H2 TIP3A 822 2.970 5.537 35.588 1.00 0.00 H +ATOM 2467 O1 TIP3A 823 25.743 8.180 10.261 1.00 0.00 O +ATOM 2468 H1 TIP3A 823 25.810 9.068 9.913 1.00 0.00 H +ATOM 2469 H2 TIP3A 823 24.816 8.075 10.476 1.00 0.00 H +ATOM 2470 O1 TIP3A 824 12.821 22.506 26.567 1.00 0.00 O +ATOM 2471 H1 TIP3A 824 13.426 23.241 26.474 1.00 0.00 H +ATOM 2472 H2 TIP3A 824 12.084 22.729 25.996 1.00 0.00 H +ATOM 2473 O1 TIP3A 825 18.867 22.472 3.752 1.00 0.00 O +ATOM 2474 H1 TIP3A 825 19.317 23.314 3.821 1.00 0.00 H +ATOM 2475 H2 TIP3A 825 18.737 22.195 4.659 1.00 0.00 H +ATOM 2476 O1 TIP3A 826 23.373 14.092 27.998 1.00 0.00 O +ATOM 2477 H1 TIP3A 826 22.454 13.905 28.188 1.00 0.00 H +ATOM 2478 H2 TIP3A 826 23.834 13.882 28.811 1.00 0.00 H +ATOM 2479 O1 TIP3A 827 19.153 18.068 29.891 1.00 0.00 O +ATOM 2480 H1 TIP3A 827 18.387 17.509 29.765 1.00 0.00 H +ATOM 2481 H2 TIP3A 827 19.559 17.741 30.694 1.00 0.00 H +ATOM 2482 O1 TIP3A 828 23.598 24.255 19.991 1.00 0.00 O +ATOM 2483 H1 TIP3A 828 23.016 24.790 19.453 1.00 0.00 H +ATOM 2484 H2 TIP3A 828 24.480 24.498 19.706 1.00 0.00 H +ATOM 2485 O1 TIP3A 829 19.149 17.757 1.371 1.00 0.00 O +ATOM 2486 H1 TIP3A 829 19.042 18.650 1.047 1.00 0.00 H +ATOM 2487 H2 TIP3A 829 19.344 17.861 2.303 1.00 0.00 H +ATOM 2488 O1 TIP3A 830 27.144 24.295 20.611 1.00 0.00 O +ATOM 2489 H1 TIP3A 830 26.582 23.894 19.949 1.00 0.00 H +ATOM 2490 H2 TIP3A 830 27.443 23.561 21.148 1.00 0.00 H +ATOM 2491 O1 TIP3A 831 1.473 20.420 32.005 1.00 0.00 O +ATOM 2492 H1 TIP3A 831 0.677 20.791 31.626 1.00 0.00 H +ATOM 2493 H2 TIP3A 831 2.183 20.946 31.636 1.00 0.00 H +ATOM 2494 O1 TIP3A 832 21.898 21.316 14.821 1.00 0.00 O +ATOM 2495 H1 TIP3A 832 21.509 20.456 14.665 1.00 0.00 H +ATOM 2496 H2 TIP3A 832 22.818 21.132 15.014 1.00 0.00 H +ATOM 2497 O1 TIP3A 833 31.263 22.893 28.465 1.00 0.00 O +ATOM 2498 H1 TIP3A 833 30.740 22.781 27.671 1.00 0.00 H +ATOM 2499 H2 TIP3A 833 31.184 23.824 28.675 1.00 0.00 H +ATOM 2500 O1 TIP3A 834 8.307 35.014 12.412 1.00 0.00 O +ATOM 2501 H1 TIP3A 834 8.175 34.843 13.344 1.00 0.00 H +ATOM 2502 H2 TIP3A 834 9.030 34.438 12.162 1.00 0.00 H +ATOM 2503 O1 TIP3A 835 11.946 7.564 3.173 1.00 0.00 O +ATOM 2504 H1 TIP3A 835 11.633 6.863 3.743 1.00 0.00 H +ATOM 2505 H2 TIP3A 835 11.597 7.344 2.308 1.00 0.00 H +ATOM 2506 O1 TIP3A 836 14.179 15.648 30.076 1.00 0.00 O +ATOM 2507 H1 TIP3A 836 13.383 15.407 29.602 1.00 0.00 H +ATOM 2508 H2 TIP3A 836 13.945 15.556 31.000 1.00 0.00 H +ATOM 2509 O1 TIP3A 837 37.957 13.381 3.767 1.00 0.00 O +ATOM 2510 H1 TIP3A 837 38.400 12.536 3.841 1.00 0.00 H +ATOM 2511 H2 TIP3A 837 37.255 13.229 3.134 1.00 0.00 H +ATOM 2512 O1 TIP3A 838 18.538 34.231 5.507 1.00 0.00 O +ATOM 2513 H1 TIP3A 838 18.450 33.937 4.600 1.00 0.00 H +ATOM 2514 H2 TIP3A 838 18.447 33.433 6.028 1.00 0.00 H +ATOM 2515 O1 TIP3A 839 0.939 25.589 19.557 1.00 0.00 O +ATOM 2516 H1 TIP3A 839 0.490 26.276 20.048 1.00 0.00 H +ATOM 2517 H2 TIP3A 839 1.385 26.054 18.848 1.00 0.00 H +ATOM 2518 O1 TIP3A 840 21.341 0.502 37.905 1.00 0.00 O +ATOM 2519 H1 TIP3A 840 20.529 0.005 38.000 1.00 0.00 H +ATOM 2520 H2 TIP3A 840 21.985 0.009 38.415 1.00 0.00 H +ATOM 2521 O1 TIP3A 841 34.308 34.952 6.004 1.00 0.00 O +ATOM 2522 H1 TIP3A 841 33.458 34.514 5.982 1.00 0.00 H +ATOM 2523 H2 TIP3A 841 34.225 35.670 5.376 1.00 0.00 H +ATOM 2524 O1 TIP3A 842 17.680 3.828 14.515 1.00 0.00 O +ATOM 2525 H1 TIP3A 842 16.906 3.648 15.047 1.00 0.00 H +ATOM 2526 H2 TIP3A 842 17.383 4.471 13.870 1.00 0.00 H +ATOM 2527 O1 TIP3A 843 7.189 15.820 30.957 1.00 0.00 O +ATOM 2528 H1 TIP3A 843 7.061 14.935 31.295 1.00 0.00 H +ATOM 2529 H2 TIP3A 843 8.130 15.879 30.787 1.00 0.00 H +ATOM 2530 O1 TIP3A 844 17.155 16.732 7.712 1.00 0.00 O +ATOM 2531 H1 TIP3A 844 17.854 16.817 7.064 1.00 0.00 H +ATOM 2532 H2 TIP3A 844 16.609 16.017 7.385 1.00 0.00 H +ATOM 2533 O1 TIP3A 845 29.827 8.728 30.994 1.00 0.00 O +ATOM 2534 H1 TIP3A 845 30.520 8.070 30.961 1.00 0.00 H +ATOM 2535 H2 TIP3A 845 29.197 8.448 30.330 1.00 0.00 H +ATOM 2536 O1 TIP3A 846 11.530 11.115 30.408 1.00 0.00 O +ATOM 2537 H1 TIP3A 846 11.836 11.522 29.599 1.00 0.00 H +ATOM 2538 H2 TIP3A 846 11.484 10.180 30.205 1.00 0.00 H +ATOM 2539 O1 TIP3A 847 34.932 7.296 33.237 1.00 0.00 O +ATOM 2540 H1 TIP3A 847 34.145 6.764 33.347 1.00 0.00 H +ATOM 2541 H2 TIP3A 847 35.614 6.816 33.709 1.00 0.00 H +ATOM 2542 O1 TIP3A 848 19.031 31.721 19.721 1.00 0.00 O +ATOM 2543 H1 TIP3A 848 19.659 32.204 19.185 1.00 0.00 H +ATOM 2544 H2 TIP3A 848 19.343 30.816 19.701 1.00 0.00 H +ATOM 2545 O1 TIP3A 849 5.820 3.934 12.181 1.00 0.00 O +ATOM 2546 H1 TIP3A 849 5.153 3.437 11.708 1.00 0.00 H +ATOM 2547 H2 TIP3A 849 5.610 4.851 11.999 1.00 0.00 H +ATOM 2548 O1 TIP3A 850 18.025 19.329 18.557 1.00 0.00 O +ATOM 2549 H1 TIP3A 850 18.013 19.583 19.479 1.00 0.00 H +ATOM 2550 H2 TIP3A 850 18.863 19.656 18.228 1.00 0.00 H +ATOM 2551 O1 TIP3A 851 28.593 27.805 22.850 1.00 0.00 O +ATOM 2552 H1 TIP3A 851 29.024 26.962 22.993 1.00 0.00 H +ATOM 2553 H2 TIP3A 851 28.444 28.151 23.731 1.00 0.00 H +ATOM 2554 O1 TIP3A 852 14.504 33.587 37.762 1.00 0.00 O +ATOM 2555 H1 TIP3A 852 14.675 34.362 38.295 1.00 0.00 H +ATOM 2556 H2 TIP3A 852 14.377 32.881 38.397 1.00 0.00 H +ATOM 2557 O1 TIP3A 853 28.269 4.691 30.980 1.00 0.00 O +ATOM 2558 H1 TIP3A 853 28.411 4.679 30.034 1.00 0.00 H +ATOM 2559 H2 TIP3A 853 29.095 4.381 31.351 1.00 0.00 H +ATOM 2560 O1 TIP3A 854 31.857 33.105 33.187 1.00 0.00 O +ATOM 2561 H1 TIP3A 854 30.981 32.864 32.888 1.00 0.00 H +ATOM 2562 H2 TIP3A 854 32.102 33.850 32.638 1.00 0.00 H +ATOM 2563 O1 TIP3A 855 9.162 21.831 35.962 1.00 0.00 O +ATOM 2564 H1 TIP3A 855 9.581 21.881 35.104 1.00 0.00 H +ATOM 2565 H2 TIP3A 855 9.884 21.910 36.587 1.00 0.00 H +ATOM 2566 O1 TIP3A 856 9.586 7.933 8.737 1.00 0.00 O +ATOM 2567 H1 TIP3A 856 10.476 7.812 8.409 1.00 0.00 H +ATOM 2568 H2 TIP3A 856 9.416 8.869 8.632 1.00 0.00 H +ATOM 2569 O1 TIP3A 857 3.207 24.155 31.749 1.00 0.00 O +ATOM 2570 H1 TIP3A 857 3.714 23.363 31.575 1.00 0.00 H +ATOM 2571 H2 TIP3A 857 2.973 24.091 32.675 1.00 0.00 H +ATOM 2572 O1 TIP3A 858 8.680 1.240 30.617 1.00 0.00 O +ATOM 2573 H1 TIP3A 858 8.555 2.132 30.939 1.00 0.00 H +ATOM 2574 H2 TIP3A 858 8.889 0.729 31.399 1.00 0.00 H +ATOM 2575 O1 TIP3A 859 27.662 25.725 19.020 1.00 0.00 O +ATOM 2576 H1 TIP3A 859 26.764 26.050 18.961 1.00 0.00 H +ATOM 2577 H2 TIP3A 859 28.043 26.205 19.756 1.00 0.00 H +ATOM 2578 O1 TIP3A 860 10.024 27.995 10.645 1.00 0.00 O +ATOM 2579 H1 TIP3A 860 9.599 28.546 9.989 1.00 0.00 H +ATOM 2580 H2 TIP3A 860 9.349 27.368 10.906 1.00 0.00 H +ATOM 2581 O1 TIP3A 861 4.806 14.196 14.938 1.00 0.00 O +ATOM 2582 H1 TIP3A 861 4.224 14.892 15.242 1.00 0.00 H +ATOM 2583 H2 TIP3A 861 5.381 14.624 14.303 1.00 0.00 H +ATOM 2584 O1 TIP3A 862 31.181 35.049 36.485 1.00 0.00 O +ATOM 2585 H1 TIP3A 862 31.977 35.533 36.267 1.00 0.00 H +ATOM 2586 H2 TIP3A 862 30.640 35.679 36.963 1.00 0.00 H +ATOM 2587 O1 TIP3A 863 38.141 15.721 28.236 1.00 0.00 O +ATOM 2588 H1 TIP3A 863 38.400 14.803 28.175 1.00 0.00 H +ATOM 2589 H2 TIP3A 863 37.877 15.835 29.150 1.00 0.00 H +ATOM 2590 O1 TIP3A 864 14.492 7.160 21.080 1.00 0.00 O +ATOM 2591 H1 TIP3A 864 15.317 7.529 20.767 1.00 0.00 H +ATOM 2592 H2 TIP3A 864 14.313 6.431 20.485 1.00 0.00 H +ATOM 2593 O1 TIP3A 865 14.762 2.378 34.269 1.00 0.00 O +ATOM 2594 H1 TIP3A 865 14.455 1.502 34.499 1.00 0.00 H +ATOM 2595 H2 TIP3A 865 14.139 2.686 33.610 1.00 0.00 H +ATOM 2596 O1 TIP3A 866 23.748 19.157 14.480 1.00 0.00 O +ATOM 2597 H1 TIP3A 866 24.027 19.330 15.379 1.00 0.00 H +ATOM 2598 H2 TIP3A 866 22.901 18.720 14.571 1.00 0.00 H +ATOM 2599 O1 TIP3A 867 35.725 25.931 29.214 1.00 0.00 O +ATOM 2600 H1 TIP3A 867 36.555 25.792 29.669 1.00 0.00 H +ATOM 2601 H2 TIP3A 867 35.168 26.369 29.858 1.00 0.00 H +ATOM 2602 O1 TIP3A 868 19.138 27.329 7.651 1.00 0.00 O +ATOM 2603 H1 TIP3A 868 19.528 27.620 6.827 1.00 0.00 H +ATOM 2604 H2 TIP3A 868 19.240 28.075 8.242 1.00 0.00 H +ATOM 2605 O1 TIP3A 869 16.351 5.252 31.872 1.00 0.00 O +ATOM 2606 H1 TIP3A 869 17.050 5.097 31.238 1.00 0.00 H +ATOM 2607 H2 TIP3A 869 16.081 4.376 32.151 1.00 0.00 H +ATOM 2608 O1 TIP3A 870 32.954 23.940 4.094 1.00 0.00 O +ATOM 2609 H1 TIP3A 870 32.762 23.722 3.182 1.00 0.00 H +ATOM 2610 H2 TIP3A 870 33.256 24.848 4.065 1.00 0.00 H +ATOM 2611 O1 TIP3A 871 15.452 24.922 34.222 1.00 0.00 O +ATOM 2612 H1 TIP3A 871 14.907 25.673 34.456 1.00 0.00 H +ATOM 2613 H2 TIP3A 871 15.890 25.186 33.412 1.00 0.00 H +ATOM 2614 O1 TIP3A 872 3.499 0.561 8.951 1.00 0.00 O +ATOM 2615 H1 TIP3A 872 2.603 0.226 8.938 1.00 0.00 H +ATOM 2616 H2 TIP3A 872 3.498 1.275 8.312 1.00 0.00 H +ATOM 2617 O1 TIP3A 873 23.022 12.753 8.174 1.00 0.00 O +ATOM 2618 H1 TIP3A 873 23.321 13.658 8.256 1.00 0.00 H +ATOM 2619 H2 TIP3A 873 23.559 12.385 7.471 1.00 0.00 H +ATOM 2620 O1 TIP3A 874 13.310 31.555 15.040 1.00 0.00 O +ATOM 2621 H1 TIP3A 874 12.956 32.441 15.094 1.00 0.00 H +ATOM 2622 H2 TIP3A 874 13.972 31.603 14.349 1.00 0.00 H +ATOM 2623 O1 TIP3A 875 5.729 6.067 5.796 1.00 0.00 O +ATOM 2624 H1 TIP3A 875 5.775 5.692 6.675 1.00 0.00 H +ATOM 2625 H2 TIP3A 875 4.964 5.652 5.397 1.00 0.00 H +ATOM 2626 O1 TIP3A 876 14.289 3.233 13.223 1.00 0.00 O +ATOM 2627 H1 TIP3A 876 13.533 3.550 13.716 1.00 0.00 H +ATOM 2628 H2 TIP3A 876 14.972 3.108 13.883 1.00 0.00 H +ATOM 2629 O1 TIP3A 877 35.216 8.844 20.871 1.00 0.00 O +ATOM 2630 H1 TIP3A 877 35.018 8.019 21.314 1.00 0.00 H +ATOM 2631 H2 TIP3A 877 34.421 9.368 20.974 1.00 0.00 H +ATOM 2632 O1 TIP3A 878 9.174 32.311 11.321 1.00 0.00 O +ATOM 2633 H1 TIP3A 878 9.774 32.068 10.617 1.00 0.00 H +ATOM 2634 H2 TIP3A 878 8.448 32.749 10.877 1.00 0.00 H +ATOM 2635 O1 TIP3A 879 11.634 15.883 28.294 1.00 0.00 O +ATOM 2636 H1 TIP3A 879 10.727 15.744 28.025 1.00 0.00 H +ATOM 2637 H2 TIP3A 879 11.940 16.604 27.743 1.00 0.00 H +ATOM 2638 O1 TIP3A 880 24.628 16.313 25.997 1.00 0.00 O +ATOM 2639 H1 TIP3A 880 24.990 16.446 26.873 1.00 0.00 H +ATOM 2640 H2 TIP3A 880 25.133 15.584 25.636 1.00 0.00 H +ATOM 2641 O1 TIP3A 881 15.354 31.601 33.285 1.00 0.00 O +ATOM 2642 H1 TIP3A 881 14.475 31.843 32.997 1.00 0.00 H +ATOM 2643 H2 TIP3A 881 15.483 30.716 32.943 1.00 0.00 H +ATOM 2644 O1 TIP3A 882 28.314 13.639 1.870 1.00 0.00 O +ATOM 2645 H1 TIP3A 882 27.783 14.259 2.369 1.00 0.00 H +ATOM 2646 H2 TIP3A 882 28.628 13.012 2.523 1.00 0.00 H +ATOM 2647 O1 TIP3A 883 32.398 25.055 26.512 1.00 0.00 O +ATOM 2648 H1 TIP3A 883 32.191 25.452 27.357 1.00 0.00 H +ATOM 2649 H2 TIP3A 883 32.388 24.112 26.680 1.00 0.00 H +ATOM 2650 O1 TIP3A 884 36.275 18.541 14.574 1.00 0.00 O +ATOM 2651 H1 TIP3A 884 35.594 18.885 13.996 1.00 0.00 H +ATOM 2652 H2 TIP3A 884 37.094 18.867 14.201 1.00 0.00 H +ATOM 2653 O1 TIP3A 885 37.347 28.540 12.880 1.00 0.00 O +ATOM 2654 H1 TIP3A 885 37.163 29.356 12.416 1.00 0.00 H +ATOM 2655 H2 TIP3A 885 37.062 28.706 13.780 1.00 0.00 H +ATOM 2656 O1 TIP3A 886 4.245 21.169 17.048 1.00 0.00 O +ATOM 2657 H1 TIP3A 886 4.373 20.463 17.681 1.00 0.00 H +ATOM 2658 H2 TIP3A 886 3.726 21.822 17.518 1.00 0.00 H +ATOM 2659 O1 TIP3A 887 38.404 36.978 24.959 1.00 0.00 O +ATOM 2660 H1 TIP3A 887 38.323 36.684 25.866 1.00 0.00 H +ATOM 2661 H2 TIP3A 887 37.981 36.289 24.445 1.00 0.00 H +ATOM 2662 O1 TIP3A 888 15.629 11.040 19.050 1.00 0.00 O +ATOM 2663 H1 TIP3A 888 15.570 10.103 18.862 1.00 0.00 H +ATOM 2664 H2 TIP3A 888 14.898 11.212 19.646 1.00 0.00 H +ATOM 2665 O1 TIP3A 889 22.283 26.793 19.988 1.00 0.00 O +ATOM 2666 H1 TIP3A 889 23.075 27.316 19.876 1.00 0.00 H +ATOM 2667 H2 TIP3A 889 21.818 27.212 20.713 1.00 0.00 H +ATOM 2668 O1 TIP3A 890 4.560 12.514 31.827 1.00 0.00 O +ATOM 2669 H1 TIP3A 890 5.192 12.422 32.539 1.00 0.00 H +ATOM 2670 H2 TIP3A 890 5.079 12.821 31.083 1.00 0.00 H +ATOM 2671 O1 TIP3A 891 32.745 3.989 14.933 1.00 0.00 O +ATOM 2672 H1 TIP3A 891 32.290 3.470 14.270 1.00 0.00 H +ATOM 2673 H2 TIP3A 891 33.065 3.344 15.565 1.00 0.00 H +ATOM 2674 O1 TIP3A 892 32.136 2.866 0.719 1.00 0.00 O +ATOM 2675 H1 TIP3A 892 32.760 2.428 0.142 1.00 0.00 H +ATOM 2676 H2 TIP3A 892 32.470 3.760 0.801 1.00 0.00 H +ATOM 2677 O1 TIP3A 893 21.841 36.564 3.471 1.00 0.00 O +ATOM 2678 H1 TIP3A 893 20.999 36.115 3.399 1.00 0.00 H +ATOM 2679 H2 TIP3A 893 22.488 35.858 3.498 1.00 0.00 H +ATOM 2680 O1 TIP3A 894 8.802 38.161 12.571 1.00 0.00 O +ATOM 2681 H1 TIP3A 894 8.463 37.271 12.473 1.00 0.00 H +ATOM 2682 H2 TIP3A 894 9.749 38.049 12.655 1.00 0.00 H +ATOM 2683 O1 TIP3A 895 37.525 35.187 30.420 1.00 0.00 O +ATOM 2684 H1 TIP3A 895 37.555 35.160 31.376 1.00 0.00 H +ATOM 2685 H2 TIP3A 895 37.859 34.332 30.145 1.00 0.00 H +ATOM 2686 O1 TIP3A 896 11.650 21.056 28.456 1.00 0.00 O +ATOM 2687 H1 TIP3A 896 12.520 21.383 28.680 1.00 0.00 H +ATOM 2688 H2 TIP3A 896 11.767 20.112 28.352 1.00 0.00 H +ATOM 2689 O1 TIP3A 897 23.881 17.683 29.726 1.00 0.00 O +ATOM 2690 H1 TIP3A 897 23.764 17.436 28.809 1.00 0.00 H +ATOM 2691 H2 TIP3A 897 24.001 18.633 29.706 1.00 0.00 H +ATOM 2692 O1 TIP3A 898 19.613 28.794 30.216 1.00 0.00 O +ATOM 2693 H1 TIP3A 898 19.994 27.980 29.887 1.00 0.00 H +ATOM 2694 H2 TIP3A 898 18.668 28.639 30.204 1.00 0.00 H +ATOM 2695 O1 TIP3A 899 8.542 18.814 21.980 1.00 0.00 O +ATOM 2696 H1 TIP3A 899 9.336 19.335 22.095 1.00 0.00 H +ATOM 2697 H2 TIP3A 899 8.846 17.906 21.994 1.00 0.00 H +ATOM 2698 O1 TIP3A 900 6.671 23.073 14.864 1.00 0.00 O +ATOM 2699 H1 TIP3A 900 7.417 23.648 14.697 1.00 0.00 H +ATOM 2700 H2 TIP3A 900 6.831 22.306 14.313 1.00 0.00 H +ATOM 2701 O1 TIP3A 901 9.930 31.147 2.339 1.00 0.00 O +ATOM 2702 H1 TIP3A 901 9.188 30.551 2.440 1.00 0.00 H +ATOM 2703 H2 TIP3A 901 10.560 30.862 3.002 1.00 0.00 H +ATOM 2704 O1 TIP3A 902 13.416 8.116 32.274 1.00 0.00 O +ATOM 2705 H1 TIP3A 902 12.980 8.886 31.909 1.00 0.00 H +ATOM 2706 H2 TIP3A 902 14.243 8.060 31.795 1.00 0.00 H +ATOM 2707 O1 TIP3A 903 22.853 26.877 8.757 1.00 0.00 O +ATOM 2708 H1 TIP3A 903 23.804 26.959 8.826 1.00 0.00 H +ATOM 2709 H2 TIP3A 903 22.513 27.439 9.454 1.00 0.00 H +ATOM 2710 O1 TIP3A 904 3.900 19.083 19.714 1.00 0.00 O +ATOM 2711 H1 TIP3A 904 3.974 18.130 19.735 1.00 0.00 H +ATOM 2712 H2 TIP3A 904 4.543 19.389 20.355 1.00 0.00 H +ATOM 2713 O1 TIP3A 905 22.145 20.578 6.514 1.00 0.00 O +ATOM 2714 H1 TIP3A 905 21.631 20.843 5.752 1.00 0.00 H +ATOM 2715 H2 TIP3A 905 21.501 20.222 7.126 1.00 0.00 H +ATOM 2716 O1 TIP3A 906 0.814 33.149 29.872 1.00 0.00 O +ATOM 2717 H1 TIP3A 906 1.418 32.408 29.883 1.00 0.00 H +ATOM 2718 H2 TIP3A 906 0.157 32.914 29.215 1.00 0.00 H +ATOM 2719 O1 TIP3A 907 24.414 7.651 2.090 1.00 0.00 O +ATOM 2720 H1 TIP3A 907 24.357 7.284 1.208 1.00 0.00 H +ATOM 2721 H2 TIP3A 907 24.171 8.572 1.983 1.00 0.00 H +ATOM 2722 O1 TIP3A 908 4.694 10.995 9.867 1.00 0.00 O +ATOM 2723 H1 TIP3A 908 4.812 10.057 9.728 1.00 0.00 H +ATOM 2724 H2 TIP3A 908 4.310 11.314 9.050 1.00 0.00 H +ATOM 2725 O1 TIP3A 909 22.088 30.764 27.232 1.00 0.00 O +ATOM 2726 H1 TIP3A 909 21.682 31.540 27.615 1.00 0.00 H +ATOM 2727 H2 TIP3A 909 22.721 31.110 26.602 1.00 0.00 H +ATOM 2728 O1 TIP3A 910 29.571 31.927 35.551 1.00 0.00 O +ATOM 2729 H1 TIP3A 910 29.990 32.207 34.738 1.00 0.00 H +ATOM 2730 H2 TIP3A 910 29.413 32.739 36.033 1.00 0.00 H +ATOM 2731 O1 TIP3A 911 28.713 3.242 3.837 1.00 0.00 O +ATOM 2732 H1 TIP3A 911 28.881 2.302 3.787 1.00 0.00 H +ATOM 2733 H2 TIP3A 911 29.298 3.554 4.528 1.00 0.00 H +ATOM 2734 O1 TIP3A 912 30.386 13.575 0.492 1.00 0.00 O +ATOM 2735 H1 TIP3A 912 30.984 13.013 0.000 1.00 0.00 H +ATOM 2736 H2 TIP3A 912 30.867 13.794 1.291 1.00 0.00 H +ATOM 2737 O1 TIP3A 913 9.261 14.097 14.226 1.00 0.00 O +ATOM 2738 H1 TIP3A 913 8.347 14.369 14.290 1.00 0.00 H +ATOM 2739 H2 TIP3A 913 9.340 13.370 14.845 1.00 0.00 H +ATOM 2740 O1 TIP3A 914 12.887 19.852 34.997 1.00 0.00 O +ATOM 2741 H1 TIP3A 914 13.694 20.339 34.837 1.00 0.00 H +ATOM 2742 H2 TIP3A 914 12.434 20.353 35.676 1.00 0.00 H +ATOM 2743 O1 TIP3A 915 36.937 3.870 2.219 1.00 0.00 O +ATOM 2744 H1 TIP3A 915 37.146 3.044 1.783 1.00 0.00 H +ATOM 2745 H2 TIP3A 915 36.024 4.041 1.985 1.00 0.00 H +ATOM 2746 O1 TIP3A 916 5.042 6.369 0.697 1.00 0.00 O +ATOM 2747 H1 TIP3A 916 4.168 6.676 0.458 1.00 0.00 H +ATOM 2748 H2 TIP3A 916 5.282 5.759 0.000 1.00 0.00 H +ATOM 2749 O1 TIP3A 917 11.730 14.266 30.548 1.00 0.00 O +ATOM 2750 H1 TIP3A 917 12.016 13.702 29.831 1.00 0.00 H +ATOM 2751 H2 TIP3A 917 10.938 13.844 30.883 1.00 0.00 H +ATOM 2752 O1 TIP3A 918 10.334 15.425 34.575 1.00 0.00 O +ATOM 2753 H1 TIP3A 918 10.334 15.587 35.518 1.00 0.00 H +ATOM 2754 H2 TIP3A 918 10.837 14.617 34.470 1.00 0.00 H +ATOM 2755 O1 TIP3A 919 9.399 26.541 37.778 1.00 0.00 O +ATOM 2756 H1 TIP3A 919 9.677 27.215 38.398 1.00 0.00 H +ATOM 2757 H2 TIP3A 919 8.925 25.904 38.313 1.00 0.00 H +ATOM 2758 O1 TIP3A 920 37.846 23.895 23.983 1.00 0.00 O +ATOM 2759 H1 TIP3A 920 37.012 23.515 23.711 1.00 0.00 H +ATOM 2760 H2 TIP3A 920 37.682 24.838 24.015 1.00 0.00 H +ATOM 2761 O1 TIP3A 921 4.596 36.088 21.501 1.00 0.00 O +ATOM 2762 H1 TIP3A 921 4.883 36.999 21.472 1.00 0.00 H +ATOM 2763 H2 TIP3A 921 5.138 35.644 20.847 1.00 0.00 H +ATOM 2764 O1 TIP3A 922 7.615 2.837 13.129 1.00 0.00 O +ATOM 2765 H1 TIP3A 922 6.826 2.319 13.284 1.00 0.00 H +ATOM 2766 H2 TIP3A 922 8.337 2.246 13.348 1.00 0.00 H +ATOM 2767 O1 TIP3A 923 6.060 15.716 3.042 1.00 0.00 O +ATOM 2768 H1 TIP3A 923 5.997 14.761 3.055 1.00 0.00 H +ATOM 2769 H2 TIP3A 923 6.694 15.923 3.730 1.00 0.00 H +ATOM 2770 O1 TIP3A 924 4.301 20.532 14.183 1.00 0.00 O +ATOM 2771 H1 TIP3A 924 4.189 20.157 15.056 1.00 0.00 H +ATOM 2772 H2 TIP3A 924 3.910 19.888 13.592 1.00 0.00 H +ATOM 2773 O1 TIP3A 925 11.251 31.533 35.369 1.00 0.00 O +ATOM 2774 H1 TIP3A 925 11.995 32.054 35.068 1.00 0.00 H +ATOM 2775 H2 TIP3A 925 11.585 30.636 35.406 1.00 0.00 H +ATOM 2776 O1 TIP3A 926 6.481 35.284 18.555 1.00 0.00 O +ATOM 2777 H1 TIP3A 926 5.824 35.979 18.582 1.00 0.00 H +ATOM 2778 H2 TIP3A 926 6.163 34.629 19.178 1.00 0.00 H +ATOM 2779 O1 TIP3A 927 1.541 0.502 22.922 1.00 0.00 O +ATOM 2780 H1 TIP3A 927 1.119 0.117 22.155 1.00 0.00 H +ATOM 2781 H2 TIP3A 927 2.449 0.645 22.650 1.00 0.00 H +ATOM 2782 O1 TIP3A 928 22.178 7.900 21.176 1.00 0.00 O +ATOM 2783 H1 TIP3A 928 22.241 6.992 21.470 1.00 0.00 H +ATOM 2784 H2 TIP3A 928 22.240 7.849 20.222 1.00 0.00 H +ATOM 2785 O1 TIP3A 929 15.591 7.509 24.743 1.00 0.00 O +ATOM 2786 H1 TIP3A 929 14.887 8.151 24.656 1.00 0.00 H +ATOM 2787 H2 TIP3A 929 15.201 6.790 25.240 1.00 0.00 H +ATOM 2788 O1 TIP3A 930 1.103 28.032 6.117 1.00 0.00 O +ATOM 2789 H1 TIP3A 930 2.045 28.180 6.043 1.00 0.00 H +ATOM 2790 H2 TIP3A 930 0.798 28.722 6.707 1.00 0.00 H +ATOM 2791 O1 TIP3A 931 14.467 10.131 4.794 1.00 0.00 O +ATOM 2792 H1 TIP3A 931 14.378 9.180 4.737 1.00 0.00 H +ATOM 2793 H2 TIP3A 931 15.337 10.269 5.170 1.00 0.00 H +ATOM 2794 O1 TIP3A 932 5.659 6.506 18.701 1.00 0.00 O +ATOM 2795 H1 TIP3A 932 6.030 7.327 19.021 1.00 0.00 H +ATOM 2796 H2 TIP3A 932 4.715 6.601 18.831 1.00 0.00 H +ATOM 2797 O1 TIP3A 933 6.598 25.092 34.728 1.00 0.00 O +ATOM 2798 H1 TIP3A 933 6.558 26.044 34.807 1.00 0.00 H +ATOM 2799 H2 TIP3A 933 7.533 24.887 34.764 1.00 0.00 H +ATOM 2800 O1 TIP3A 934 33.576 38.194 26.750 1.00 0.00 O +ATOM 2801 H1 TIP3A 934 34.440 38.397 27.107 1.00 0.00 H +ATOM 2802 H2 TIP3A 934 33.754 37.637 25.992 1.00 0.00 H +ATOM 2803 O1 TIP3A 935 6.298 18.434 17.087 1.00 0.00 O +ATOM 2804 H1 TIP3A 935 5.907 17.875 17.758 1.00 0.00 H +ATOM 2805 H2 TIP3A 935 5.950 18.096 16.261 1.00 0.00 H +ATOM 2806 O1 TIP3A 936 35.616 21.002 0.630 1.00 0.00 O +ATOM 2807 H1 TIP3A 936 35.538 20.049 0.632 1.00 0.00 H +ATOM 2808 H2 TIP3A 936 36.287 21.190 1.287 1.00 0.00 H +ATOM 2809 O1 TIP3A 937 29.354 22.854 25.750 1.00 0.00 O +ATOM 2810 H1 TIP3A 937 28.527 22.409 25.933 1.00 0.00 H +ATOM 2811 H2 TIP3A 937 29.179 23.374 24.965 1.00 0.00 H +ATOM 2812 O1 TIP3A 938 24.821 15.768 21.425 1.00 0.00 O +ATOM 2813 H1 TIP3A 938 24.015 16.094 21.823 1.00 0.00 H +ATOM 2814 H2 TIP3A 938 25.140 15.105 22.038 1.00 0.00 H +ATOM 2815 O1 TIP3A 939 3.999 33.991 17.126 1.00 0.00 O +ATOM 2816 H1 TIP3A 939 3.105 34.331 17.106 1.00 0.00 H +ATOM 2817 H2 TIP3A 939 4.347 34.276 17.971 1.00 0.00 H +ATOM 2818 O1 TIP3A 940 1.082 21.881 11.741 1.00 0.00 O +ATOM 2819 H1 TIP3A 940 0.188 21.852 11.403 1.00 0.00 H +ATOM 2820 H2 TIP3A 940 1.014 22.373 12.560 1.00 0.00 H +ATOM 2821 O1 TIP3A 941 26.130 33.787 35.701 1.00 0.00 O +ATOM 2822 H1 TIP3A 941 26.532 32.919 35.683 1.00 0.00 H +ATOM 2823 H2 TIP3A 941 26.645 34.277 36.343 1.00 0.00 H +ATOM 2824 O1 TIP3A 942 33.315 23.971 29.460 1.00 0.00 O +ATOM 2825 H1 TIP3A 942 33.490 23.144 29.907 1.00 0.00 H +ATOM 2826 H2 TIP3A 942 34.180 24.297 29.209 1.00 0.00 H +ATOM 2827 O1 TIP3A 943 37.959 12.996 33.290 1.00 0.00 O +ATOM 2828 H1 TIP3A 943 38.398 12.862 32.451 1.00 0.00 H +ATOM 2829 H2 TIP3A 943 38.399 13.754 33.674 1.00 0.00 H +ATOM 2830 O1 TIP3A 944 25.269 25.413 1.664 1.00 0.00 O +ATOM 2831 H1 TIP3A 944 24.949 24.513 1.635 1.00 0.00 H +ATOM 2832 H2 TIP3A 944 25.948 25.405 2.339 1.00 0.00 H +ATOM 2833 O1 TIP3A 945 29.744 32.616 1.094 1.00 0.00 O +ATOM 2834 H1 TIP3A 945 30.363 33.081 1.655 1.00 0.00 H +ATOM 2835 H2 TIP3A 945 29.188 33.304 0.727 1.00 0.00 H +ATOM 2836 O1 TIP3A 946 26.406 11.943 21.922 1.00 0.00 O +ATOM 2837 H1 TIP3A 946 27.263 11.594 22.165 1.00 0.00 H +ATOM 2838 H2 TIP3A 946 26.494 12.891 22.025 1.00 0.00 H +ATOM 2839 O1 TIP3A 947 30.186 29.449 6.509 1.00 0.00 O +ATOM 2840 H1 TIP3A 947 30.302 29.277 7.443 1.00 0.00 H +ATOM 2841 H2 TIP3A 947 29.865 30.351 6.469 1.00 0.00 H +ATOM 2842 O1 TIP3A 948 1.954 26.531 25.069 1.00 0.00 O +ATOM 2843 H1 TIP3A 948 1.075 26.241 24.830 1.00 0.00 H +ATOM 2844 H2 TIP3A 948 2.404 26.650 24.232 1.00 0.00 H +ATOM 2845 O1 TIP3A 949 21.281 33.982 35.214 1.00 0.00 O +ATOM 2846 H1 TIP3A 949 21.734 34.693 34.762 1.00 0.00 H +ATOM 2847 H2 TIP3A 949 21.259 34.258 36.131 1.00 0.00 H +ATOM 2848 O1 TIP3A 950 10.717 36.511 37.395 1.00 0.00 O +ATOM 2849 H1 TIP3A 950 11.289 35.788 37.651 1.00 0.00 H +ATOM 2850 H2 TIP3A 950 10.536 36.358 36.467 1.00 0.00 H +ATOM 2851 O1 TIP3A 951 34.435 2.658 19.156 1.00 0.00 O +ATOM 2852 H1 TIP3A 951 35.269 2.202 19.260 1.00 0.00 H +ATOM 2853 H2 TIP3A 951 33.974 2.508 19.981 1.00 0.00 H +ATOM 2854 O1 TIP3A 952 34.369 1.285 21.770 1.00 0.00 O +ATOM 2855 H1 TIP3A 952 34.574 0.359 21.897 1.00 0.00 H +ATOM 2856 H2 TIP3A 952 33.959 1.555 22.592 1.00 0.00 H +ATOM 2857 O1 TIP3A 953 19.132 6.102 37.091 1.00 0.00 O +ATOM 2858 H1 TIP3A 953 18.859 5.894 36.199 1.00 0.00 H +ATOM 2859 H2 TIP3A 953 18.329 6.388 37.528 1.00 0.00 H +ATOM 2860 O1 TIP3A 954 0.577 37.584 18.574 1.00 0.00 O +ATOM 2861 H1 TIP3A 954 0.349 38.400 18.131 1.00 0.00 H +ATOM 2862 H2 TIP3A 954 0.103 36.907 18.090 1.00 0.00 H +ATOM 2863 O1 TIP3A 955 20.067 37.860 8.284 1.00 0.00 O +ATOM 2864 H1 TIP3A 955 19.293 38.394 8.457 1.00 0.00 H +ATOM 2865 H2 TIP3A 955 19.887 37.027 8.720 1.00 0.00 H +ATOM 2866 O1 TIP3A 956 3.355 15.657 19.848 1.00 0.00 O +ATOM 2867 H1 TIP3A 956 4.265 15.953 19.858 1.00 0.00 H +ATOM 2868 H2 TIP3A 956 2.961 16.119 19.108 1.00 0.00 H +ATOM 2869 O1 TIP3A 957 30.501 29.266 37.902 1.00 0.00 O +ATOM 2870 H1 TIP3A 957 31.148 29.765 38.399 1.00 0.00 H +ATOM 2871 H2 TIP3A 957 30.390 28.455 38.399 1.00 0.00 H +ATOM 2872 O1 TIP3A 958 32.124 9.583 36.340 1.00 0.00 O +ATOM 2873 H1 TIP3A 958 31.934 9.244 35.466 1.00 0.00 H +ATOM 2874 H2 TIP3A 958 31.271 9.621 36.774 1.00 0.00 H +ATOM 2875 O1 TIP3A 959 18.706 35.242 7.535 1.00 0.00 O +ATOM 2876 H1 TIP3A 959 18.881 35.087 8.462 1.00 0.00 H +ATOM 2877 H2 TIP3A 959 17.784 35.008 7.422 1.00 0.00 H +ATOM 2878 O1 TIP3A 960 4.211 30.727 17.887 1.00 0.00 O +ATOM 2879 H1 TIP3A 960 4.990 31.283 17.874 1.00 0.00 H +ATOM 2880 H2 TIP3A 960 3.642 31.127 18.546 1.00 0.00 H +ATOM 2881 O1 TIP3A 961 0.497 26.372 7.558 1.00 0.00 O +ATOM 2882 H1 TIP3A 961 1.146 26.140 8.220 1.00 0.00 H +ATOM 2883 H2 TIP3A 961 0.000 27.091 7.950 1.00 0.00 H +ATOM 2884 O1 TIP3A 962 11.667 10.594 17.860 1.00 0.00 O +ATOM 2885 H1 TIP3A 962 11.523 11.135 17.084 1.00 0.00 H +ATOM 2886 H2 TIP3A 962 12.182 9.851 17.543 1.00 0.00 H +ATOM 2887 O1 TIP3A 963 5.110 10.599 13.719 1.00 0.00 O +ATOM 2888 H1 TIP3A 963 5.880 10.091 13.973 1.00 0.00 H +ATOM 2889 H2 TIP3A 963 4.898 11.117 14.497 1.00 0.00 H +ATOM 2890 O1 TIP3A 964 30.331 7.304 10.110 1.00 0.00 O +ATOM 2891 H1 TIP3A 964 30.269 6.398 10.409 1.00 0.00 H +ATOM 2892 H2 TIP3A 964 29.582 7.415 9.523 1.00 0.00 H +ATOM 2893 O1 TIP3A 965 9.440 1.108 23.156 1.00 0.00 O +ATOM 2894 H1 TIP3A 965 9.110 1.881 22.699 1.00 0.00 H +ATOM 2895 H2 TIP3A 965 8.689 0.785 23.655 1.00 0.00 H +ATOM 2896 O1 TIP3A 966 9.842 23.956 7.160 1.00 0.00 O +ATOM 2897 H1 TIP3A 966 9.944 24.875 6.917 1.00 0.00 H +ATOM 2898 H2 TIP3A 966 10.730 23.597 7.119 1.00 0.00 H +ATOM 2899 O1 TIP3A 967 23.188 29.701 8.946 1.00 0.00 O +ATOM 2900 H1 TIP3A 967 24.002 29.247 9.161 1.00 0.00 H +ATOM 2901 H2 TIP3A 967 23.158 30.441 9.554 1.00 0.00 H +ATOM 2902 O1 TIP3A 968 34.585 30.361 19.752 1.00 0.00 O +ATOM 2903 H1 TIP3A 968 35.318 30.708 20.261 1.00 0.00 H +ATOM 2904 H2 TIP3A 968 33.983 31.101 19.664 1.00 0.00 H +ATOM 2905 O1 TIP3A 969 36.277 38.312 15.338 1.00 0.00 O +ATOM 2906 H1 TIP3A 969 36.472 38.400 16.270 1.00 0.00 H +ATOM 2907 H2 TIP3A 969 35.458 37.816 15.310 1.00 0.00 H +ATOM 2908 O1 TIP3A 970 28.008 8.218 3.407 1.00 0.00 O +ATOM 2909 H1 TIP3A 970 27.368 7.787 2.842 1.00 0.00 H +ATOM 2910 H2 TIP3A 970 27.487 8.800 3.961 1.00 0.00 H +ATOM 2911 O1 TIP3A 971 14.050 27.837 30.881 1.00 0.00 O +ATOM 2912 H1 TIP3A 971 13.925 27.180 30.198 1.00 0.00 H +ATOM 2913 H2 TIP3A 971 15.000 27.901 30.984 1.00 0.00 H +ATOM 2914 O1 TIP3A 972 29.823 3.658 13.470 1.00 0.00 O +ATOM 2915 H1 TIP3A 972 29.531 3.543 14.374 1.00 0.00 H +ATOM 2916 H2 TIP3A 972 30.443 4.387 13.510 1.00 0.00 H +ATOM 2917 O1 TIP3A 973 2.309 24.528 13.314 1.00 0.00 O +ATOM 2918 H1 TIP3A 973 1.391 24.727 13.132 1.00 0.00 H +ATOM 2919 H2 TIP3A 973 2.282 23.720 13.828 1.00 0.00 H +ATOM 2920 O1 TIP3A 974 6.991 32.075 38.081 1.00 0.00 O +ATOM 2921 H1 TIP3A 974 7.619 32.788 38.188 1.00 0.00 H +ATOM 2922 H2 TIP3A 974 6.233 32.483 37.661 1.00 0.00 H +ATOM 2923 O1 TIP3A 975 35.687 36.929 28.802 1.00 0.00 O +ATOM 2924 H1 TIP3A 975 35.981 37.052 27.900 1.00 0.00 H +ATOM 2925 H2 TIP3A 975 35.278 37.763 29.037 1.00 0.00 H +ATOM 2926 O1 TIP3A 976 10.845 6.573 22.345 1.00 0.00 O +ATOM 2927 H1 TIP3A 976 11.540 7.211 22.504 1.00 0.00 H +ATOM 2928 H2 TIP3A 976 11.258 5.898 21.805 1.00 0.00 H +ATOM 2929 O1 TIP3A 977 15.834 34.259 0.689 1.00 0.00 O +ATOM 2930 H1 TIP3A 977 15.775 33.408 0.257 1.00 0.00 H +ATOM 2931 H2 TIP3A 977 15.632 34.893 0.000 1.00 0.00 H +ATOM 2932 O1 TIP3A 978 30.716 27.996 33.105 1.00 0.00 O +ATOM 2933 H1 TIP3A 978 31.597 28.167 33.436 1.00 0.00 H +ATOM 2934 H2 TIP3A 978 30.158 28.615 33.576 1.00 0.00 H +ATOM 2935 O1 TIP3A 979 36.740 25.383 31.866 1.00 0.00 O +ATOM 2936 H1 TIP3A 979 35.995 25.172 32.427 1.00 0.00 H +ATOM 2937 H2 TIP3A 979 36.722 26.337 31.792 1.00 0.00 H +ATOM 2938 O1 TIP3A 980 5.227 0.290 6.062 1.00 0.00 O +ATOM 2939 H1 TIP3A 980 4.429 0.001 5.622 1.00 0.00 H +ATOM 2940 H2 TIP3A 980 5.936 0.001 5.486 1.00 0.00 H +ATOM 2941 O1 TIP3A 981 20.796 11.986 28.053 1.00 0.00 O +ATOM 2942 H1 TIP3A 981 20.123 12.416 28.579 1.00 0.00 H +ATOM 2943 H2 TIP3A 981 20.765 12.436 27.208 1.00 0.00 H +ATOM 2944 O1 TIP3A 982 5.686 12.618 26.455 1.00 0.00 O +ATOM 2945 H1 TIP3A 982 6.277 12.093 25.916 1.00 0.00 H +ATOM 2946 H2 TIP3A 982 5.712 13.490 26.061 1.00 0.00 H +ATOM 2947 O1 TIP3A 983 35.641 4.814 34.816 1.00 0.00 O +ATOM 2948 H1 TIP3A 983 36.145 4.011 34.691 1.00 0.00 H +ATOM 2949 H2 TIP3A 983 34.948 4.768 34.156 1.00 0.00 H +ATOM 2950 O1 TIP3A 984 4.058 0.328 20.016 1.00 0.00 O +ATOM 2951 H1 TIP3A 984 3.160 0.001 20.016 1.00 0.00 H +ATOM 2952 H2 TIP3A 984 4.056 1.038 19.373 1.00 0.00 H +ATOM 2953 O1 TIP3A 985 4.775 35.741 26.805 1.00 0.00 O +ATOM 2954 H1 TIP3A 985 4.801 34.874 27.209 1.00 0.00 H +ATOM 2955 H2 TIP3A 985 4.454 35.583 25.917 1.00 0.00 H +ATOM 2956 O1 TIP3A 986 17.258 10.010 34.020 1.00 0.00 O +ATOM 2957 H1 TIP3A 986 16.543 9.846 34.634 1.00 0.00 H +ATOM 2958 H2 TIP3A 986 18.045 9.732 34.489 1.00 0.00 H +ATOM 2959 O1 TIP3A 987 35.468 10.774 7.186 1.00 0.00 O +ATOM 2960 H1 TIP3A 987 35.958 9.955 7.249 1.00 0.00 H +ATOM 2961 H2 TIP3A 987 35.811 11.315 7.898 1.00 0.00 H +ATOM 2962 O1 TIP3A 988 24.305 29.597 19.468 1.00 0.00 O +ATOM 2963 H1 TIP3A 988 25.041 29.577 20.078 1.00 0.00 H +ATOM 2964 H2 TIP3A 988 23.997 30.503 19.492 1.00 0.00 H +ATOM 2965 O1 TIP3A 989 20.709 2.589 26.005 1.00 0.00 O +ATOM 2966 H1 TIP3A 989 19.976 2.025 26.250 1.00 0.00 H +ATOM 2967 H2 TIP3A 989 21.390 2.390 26.648 1.00 0.00 H +ATOM 2968 O1 TIP3A 990 19.327 6.160 13.058 1.00 0.00 O +ATOM 2969 H1 TIP3A 990 19.898 6.774 12.598 1.00 0.00 H +ATOM 2970 H2 TIP3A 990 18.443 6.497 12.911 1.00 0.00 H +ATOM 2971 O1 TIP3A 991 19.894 30.895 8.011 1.00 0.00 O +ATOM 2972 H1 TIP3A 991 20.036 30.032 7.623 1.00 0.00 H +ATOM 2973 H2 TIP3A 991 20.497 30.925 8.755 1.00 0.00 H +ATOM 2974 O1 TIP3A 992 31.899 24.506 22.660 1.00 0.00 O +ATOM 2975 H1 TIP3A 992 32.690 23.969 22.674 1.00 0.00 H +ATOM 2976 H2 TIP3A 992 32.063 25.193 23.307 1.00 0.00 H +ATOM 2977 O1 TIP3A 993 31.255 1.221 37.923 1.00 0.00 O +ATOM 2978 H1 TIP3A 993 31.699 1.882 37.393 1.00 0.00 H +ATOM 2979 H2 TIP3A 993 30.395 1.124 37.513 1.00 0.00 H +ATOM 2980 O1 TIP3A 994 15.308 30.359 11.950 1.00 0.00 O +ATOM 2981 H1 TIP3A 994 15.934 29.654 12.112 1.00 0.00 H +ATOM 2982 H2 TIP3A 994 14.642 29.964 11.387 1.00 0.00 H +ATOM 2983 O1 TIP3A 995 35.935 28.109 7.776 1.00 0.00 O +ATOM 2984 H1 TIP3A 995 35.293 27.422 7.956 1.00 0.00 H +ATOM 2985 H2 TIP3A 995 36.656 27.927 8.379 1.00 0.00 H +ATOM 2986 O1 TIP3A 996 36.242 0.831 24.381 1.00 0.00 O +ATOM 2987 H1 TIP3A 996 35.912 1.041 23.508 1.00 0.00 H +ATOM 2988 H2 TIP3A 996 36.704 0.000 24.270 1.00 0.00 H +ATOM 2989 O1 TIP3A 997 9.040 16.885 33.570 1.00 0.00 O +ATOM 2990 H1 TIP3A 997 9.652 17.531 33.921 1.00 0.00 H +ATOM 2991 H2 TIP3A 997 8.174 17.237 33.777 1.00 0.00 H +ATOM 2992 O1 TIP3A 998 37.761 26.075 3.990 1.00 0.00 O +ATOM 2993 H1 TIP3A 998 38.400 25.944 4.690 1.00 0.00 H +ATOM 2994 H2 TIP3A 998 37.371 26.929 4.178 1.00 0.00 H +ATOM 2995 O1 TIP3A 999 13.885 11.204 17.138 1.00 0.00 O +ATOM 2996 H1 TIP3A 999 14.714 10.768 16.944 1.00 0.00 H +ATOM 2997 H2 TIP3A 999 14.124 11.930 17.715 1.00 0.00 H +ATOM 2998 O1 TIP3A1000 5.311 28.291 7.336 1.00 0.00 O +ATOM 2999 H1 TIP3A1000 5.250 29.219 7.114 1.00 0.00 H +ATOM 3000 H2 TIP3A1000 5.937 28.258 8.061 1.00 0.00 H +ATOM 3001 O1 TIP3A1001 28.707 37.925 20.259 1.00 0.00 O +ATOM 3002 H1 TIP3A1001 28.519 37.031 19.975 1.00 0.00 H +ATOM 3003 H2 TIP3A1001 27.888 38.400 20.115 1.00 0.00 H +ATOM 3004 O1 TIP3A1002 31.036 6.600 18.690 1.00 0.00 O +ATOM 3005 H1 TIP3A1002 31.905 6.242 18.867 1.00 0.00 H +ATOM 3006 H2 TIP3A1002 30.435 5.880 18.888 1.00 0.00 H +ATOM 3007 O1 TIP3A1003 14.806 5.402 5.220 1.00 0.00 O +ATOM 3008 H1 TIP3A1003 15.391 5.017 4.569 1.00 0.00 H +ATOM 3009 H2 TIP3A1003 13.953 5.437 4.786 1.00 0.00 H +ATOM 3010 O1 TIP3A1004 34.785 33.398 19.958 1.00 0.00 O +ATOM 3011 H1 TIP3A1004 34.927 34.313 19.716 1.00 0.00 H +ATOM 3012 H2 TIP3A1004 35.237 32.897 19.280 1.00 0.00 H +ATOM 3013 O1 TIP3A1005 17.672 16.890 4.225 1.00 0.00 O +ATOM 3014 H1 TIP3A1005 18.292 17.619 4.221 1.00 0.00 H +ATOM 3015 H2 TIP3A1005 17.039 17.117 4.908 1.00 0.00 H +ATOM 3016 O1 TIP3A1006 8.543 31.889 0.801 1.00 0.00 O +ATOM 3017 H1 TIP3A1006 8.482 32.408 -0.001 1.00 0.00 H +ATOM 3018 H2 TIP3A1006 8.116 31.060 0.583 1.00 0.00 H +ATOM 3019 O1 TIP3A1007 27.725 4.956 21.349 1.00 0.00 O +ATOM 3020 H1 TIP3A1007 27.272 5.789 21.475 1.00 0.00 H +ATOM 3021 H2 TIP3A1007 28.653 5.168 21.454 1.00 0.00 H +ATOM 3022 O1 TIP3A1008 30.937 27.229 27.030 1.00 0.00 O +ATOM 3023 H1 TIP3A1008 31.822 27.584 26.960 1.00 0.00 H +ATOM 3024 H2 TIP3A1008 30.390 27.987 27.240 1.00 0.00 H +ATOM 3025 O1 TIP3A1009 33.071 35.987 28.730 1.00 0.00 O +ATOM 3026 H1 TIP3A1009 32.720 35.100 28.806 1.00 0.00 H +ATOM 3027 H2 TIP3A1009 33.773 36.023 29.380 1.00 0.00 H +ATOM 3028 O1 TIP3A1010 31.647 9.748 28.025 1.00 0.00 O +ATOM 3029 H1 TIP3A1010 32.028 10.412 27.451 1.00 0.00 H +ATOM 3030 H2 TIP3A1010 31.066 10.239 28.607 1.00 0.00 H +ATOM 3031 O1 TIP3A1011 32.777 0.778 14.116 1.00 0.00 O +ATOM 3032 H1 TIP3A1011 32.573 1.445 13.461 1.00 0.00 H +ATOM 3033 H2 TIP3A1011 32.787 1.252 14.947 1.00 0.00 H +ATOM 3034 O1 TIP3A1012 5.972 10.532 22.440 1.00 0.00 O +ATOM 3035 H1 TIP3A1012 6.241 10.956 23.254 1.00 0.00 H +ATOM 3036 H2 TIP3A1012 5.265 9.941 22.699 1.00 0.00 H +ATOM 3037 O1 TIP3A1013 25.475 19.020 9.969 1.00 0.00 O +ATOM 3038 H1 TIP3A1013 26.366 18.677 9.915 1.00 0.00 H +ATOM 3039 H2 TIP3A1013 25.549 19.794 10.529 1.00 0.00 H +ATOM 3040 O1 TIP3A1014 10.094 7.970 31.789 1.00 0.00 O +ATOM 3041 H1 TIP3A1014 10.908 8.203 32.235 1.00 0.00 H +ATOM 3042 H2 TIP3A1014 9.853 7.120 32.158 1.00 0.00 H +ATOM 3043 O1 TIP3A1015 17.819 14.935 29.510 1.00 0.00 O +ATOM 3044 H1 TIP3A1015 17.154 14.353 29.875 1.00 0.00 H +ATOM 3045 H2 TIP3A1015 17.331 15.525 28.934 1.00 0.00 H +ATOM 3046 O1 TIP3A1016 24.642 18.820 35.319 1.00 0.00 O +ATOM 3047 H1 TIP3A1016 24.143 19.636 35.320 1.00 0.00 H +ATOM 3048 H2 TIP3A1016 24.297 18.326 36.063 1.00 0.00 H +ATOM 3049 O1 TIP3A1017 26.605 14.404 9.800 1.00 0.00 O +ATOM 3050 H1 TIP3A1017 26.190 15.260 9.700 1.00 0.00 H +ATOM 3051 H2 TIP3A1017 27.520 14.551 9.559 1.00 0.00 H +ATOM 3052 O1 TIP3A1018 36.226 32.722 10.819 1.00 0.00 O +ATOM 3053 H1 TIP3A1018 36.728 31.908 10.787 1.00 0.00 H +ATOM 3054 H2 TIP3A1018 35.512 32.588 10.195 1.00 0.00 H +ATOM 3055 O1 TIP3A1019 34.782 3.872 8.940 1.00 0.00 O +ATOM 3056 H1 TIP3A1019 34.622 2.931 8.881 1.00 0.00 H +ATOM 3057 H2 TIP3A1019 34.193 4.256 8.290 1.00 0.00 H +ATOM 3058 O1 TIP3A1020 5.755 14.893 11.367 1.00 0.00 O +ATOM 3059 H1 TIP3A1020 6.492 15.133 10.806 1.00 0.00 H +ATOM 3060 H2 TIP3A1020 6.129 14.842 12.247 1.00 0.00 H +ATOM 3061 O1 TIP3A1021 7.791 11.115 8.370 1.00 0.00 O +ATOM 3062 H1 TIP3A1021 7.090 10.464 8.354 1.00 0.00 H +ATOM 3063 H2 TIP3A1021 8.398 10.798 9.040 1.00 0.00 H +ATOM 3064 O1 TIP3A1022 28.509 22.842 28.662 1.00 0.00 O +ATOM 3065 H1 TIP3A1022 28.674 22.080 28.107 1.00 0.00 H +ATOM 3066 H2 TIP3A1022 27.623 23.122 28.428 1.00 0.00 H +ATOM 3067 O1 TIP3A1023 35.138 25.529 17.516 1.00 0.00 O +ATOM 3068 H1 TIP3A1023 34.924 25.685 16.597 1.00 0.00 H +ATOM 3069 H2 TIP3A1023 34.419 25.935 18.002 1.00 0.00 H +ATOM 3070 O1 TIP3A1024 15.916 17.500 37.699 1.00 0.00 O +ATOM 3071 H1 TIP3A1024 16.287 18.116 37.067 1.00 0.00 H +ATOM 3072 H2 TIP3A1024 15.860 16.671 37.222 1.00 0.00 H +ATOM 3073 O1 TIP3A1025 19.351 31.953 13.027 1.00 0.00 O +ATOM 3074 H1 TIP3A1025 19.641 32.599 13.670 1.00 0.00 H +ATOM 3075 H2 TIP3A1025 19.222 32.456 12.222 1.00 0.00 H +ATOM 3076 O1 TIP3A1026 9.470 7.893 13.606 1.00 0.00 O +ATOM 3077 H1 TIP3A1026 10.220 8.448 13.397 1.00 0.00 H +ATOM 3078 H2 TIP3A1026 8.924 8.433 14.178 1.00 0.00 H +ATOM 3079 O1 TIP3A1027 5.477 31.098 20.163 1.00 0.00 O +ATOM 3080 H1 TIP3A1027 6.185 30.659 20.634 1.00 0.00 H +ATOM 3081 H2 TIP3A1027 5.883 31.882 19.793 1.00 0.00 H +ATOM 3082 O1 TIP3A1028 7.960 25.035 10.653 1.00 0.00 O +ATOM 3083 H1 TIP3A1028 8.578 25.091 11.381 1.00 0.00 H +ATOM 3084 H2 TIP3A1028 8.039 24.133 10.340 1.00 0.00 H +ATOM 3085 O1 TIP3A1029 7.832 31.403 35.761 1.00 0.00 O +ATOM 3086 H1 TIP3A1029 7.566 30.521 36.018 1.00 0.00 H +ATOM 3087 H2 TIP3A1029 8.455 31.672 36.437 1.00 0.00 H +ATOM 3088 O1 TIP3A1030 21.772 20.476 19.156 1.00 0.00 O +ATOM 3089 H1 TIP3A1030 21.070 20.431 19.803 1.00 0.00 H +ATOM 3090 H2 TIP3A1030 22.249 19.653 19.261 1.00 0.00 H +ATOM 3091 O1 TIP3A1031 15.320 21.881 38.415 1.00 0.00 O +ATOM 3092 H1 TIP3A1031 15.210 22.774 38.091 1.00 0.00 H +ATOM 3093 H2 TIP3A1031 16.236 21.669 38.231 1.00 0.00 H +ATOM 3094 O1 TIP3A1032 27.279 11.548 18.124 1.00 0.00 O +ATOM 3095 H1 TIP3A1032 27.391 10.618 17.933 1.00 0.00 H +ATOM 3096 H2 TIP3A1032 26.390 11.749 17.830 1.00 0.00 H +ATOM 3097 O1 TIP3A1033 2.034 12.360 5.784 1.00 0.00 O +ATOM 3098 H1 TIP3A1033 2.274 13.240 6.071 1.00 0.00 H +ATOM 3099 H2 TIP3A1033 2.650 11.783 6.237 1.00 0.00 H +ATOM 3100 O1 TIP3A1034 27.987 10.820 5.599 1.00 0.00 O +ATOM 3101 H1 TIP3A1034 27.699 11.669 5.264 1.00 0.00 H +ATOM 3102 H2 TIP3A1034 27.759 10.839 6.529 1.00 0.00 H +ATOM 3103 O1 TIP3A1035 13.211 14.135 10.393 1.00 0.00 O +ATOM 3104 H1 TIP3A1035 13.185 15.082 10.258 1.00 0.00 H +ATOM 3105 H2 TIP3A1035 14.134 13.940 10.555 1.00 0.00 H +ATOM 3106 O1 TIP3A1036 3.243 0.841 13.741 1.00 0.00 O +ATOM 3107 H1 TIP3A1036 3.638 1.500 13.172 1.00 0.00 H +ATOM 3108 H2 TIP3A1036 3.518 0.003 13.367 1.00 0.00 H +ATOM 3109 O1 TIP3A1037 28.707 4.463 -0.041 1.00 0.00 O +ATOM 3110 H1 TIP3A1037 29.642 4.636 0.057 1.00 0.00 H +ATOM 3111 H2 TIP3A1037 28.369 4.450 0.855 1.00 0.00 H +ATOM 3112 O1 TIP3A1038 19.446 2.702 35.194 1.00 0.00 O +ATOM 3113 H1 TIP3A1038 18.740 3.345 35.267 1.00 0.00 H +ATOM 3114 H2 TIP3A1038 20.244 3.203 35.365 1.00 0.00 H +ATOM 3115 O1 TIP3A1039 16.725 10.544 26.183 1.00 0.00 O +ATOM 3116 H1 TIP3A1039 16.465 10.605 27.102 1.00 0.00 H +ATOM 3117 H2 TIP3A1039 16.873 9.609 26.037 1.00 0.00 H +ATOM 3118 O1 TIP3A1040 35.768 34.660 26.813 1.00 0.00 O +ATOM 3119 H1 TIP3A1040 35.114 35.346 26.683 1.00 0.00 H +ATOM 3120 H2 TIP3A1040 35.991 34.370 25.928 1.00 0.00 H +ATOM 3121 O1 TIP3A1041 32.310 17.650 6.230 1.00 0.00 O +ATOM 3122 H1 TIP3A1041 32.860 18.354 6.572 1.00 0.00 H +ATOM 3123 H2 TIP3A1041 31.517 17.682 6.766 1.00 0.00 H +ATOM 3124 O1 TIP3A1042 36.862 23.530 19.959 1.00 0.00 O +ATOM 3125 H1 TIP3A1042 37.793 23.732 19.876 1.00 0.00 H +ATOM 3126 H2 TIP3A1042 36.794 23.033 20.774 1.00 0.00 H +ATOM 3127 O1 TIP3A1043 7.019 36.221 36.313 1.00 0.00 O +ATOM 3128 H1 TIP3A1043 6.831 37.159 36.298 1.00 0.00 H +ATOM 3129 H2 TIP3A1043 7.720 36.106 35.671 1.00 0.00 H +ATOM 3130 O1 TIP3A1044 28.837 20.328 11.136 1.00 0.00 O +ATOM 3131 H1 TIP3A1044 27.989 20.672 11.415 1.00 0.00 H +ATOM 3132 H2 TIP3A1044 28.746 20.201 10.192 1.00 0.00 H +ATOM 3133 O1 TIP3A1045 25.158 28.089 0.530 1.00 0.00 O +ATOM 3134 H1 TIP3A1045 24.482 28.765 0.537 1.00 0.00 H +ATOM 3135 H2 TIP3A1045 25.944 28.532 0.853 1.00 0.00 H +ATOM 3136 O1 TIP3A1046 6.965 11.636 34.013 1.00 0.00 O +ATOM 3137 H1 TIP3A1046 7.768 12.090 34.266 1.00 0.00 H +ATOM 3138 H2 TIP3A1046 7.146 11.302 33.134 1.00 0.00 H +ATOM 3139 O1 TIP3A1047 16.086 19.170 13.069 1.00 0.00 O +ATOM 3140 H1 TIP3A1047 16.881 19.697 13.138 1.00 0.00 H +ATOM 3141 H2 TIP3A1047 16.068 18.656 13.877 1.00 0.00 H +ATOM 3142 O1 WAT A1048 13.475 29.094 21.712 1.00 0.00 O +ATOM 3143 H1 WAT A1048 13.765 30.002 21.798 1.00 0.00 H +ATOM 3144 H2 WAT A1048 14.229 28.573 21.985 1.00 0.00 H +ATOM 3145 O1 WAT A1049 30.681 14.171 30.845 1.00 0.00 O +ATOM 3146 H1 WAT A1049 31.231 13.792 30.159 1.00 0.00 H +ATOM 3147 H2 WAT A1049 30.425 15.027 30.503 1.00 0.00 H +ATOM 3148 O1 WAT A1050 28.034 13.554 16.769 1.00 0.00 O +ATOM 3149 H1 WAT A1050 28.045 14.510 16.804 1.00 0.00 H +ATOM 3150 H2 WAT A1050 27.142 13.333 16.501 1.00 0.00 H +ATOM 3151 O1 WAT A1051 22.118 18.272 12.564 1.00 0.00 O +ATOM 3152 H1 WAT A1051 22.856 18.705 12.135 1.00 0.00 H +ATOM 3153 H2 WAT A1051 21.762 17.687 11.897 1.00 0.00 H +ATOM 3154 O1 WAT A1052 7.275 37.013 6.199 1.00 0.00 O +ATOM 3155 H1 WAT A1052 7.145 37.936 6.417 1.00 0.00 H +ATOM 3156 H2 WAT A1052 6.441 36.736 5.820 1.00 0.00 H +ATOM 3157 O1 WAT A1053 19.650 37.819 2.365 1.00 0.00 O +ATOM 3158 H1 WAT A1053 19.240 36.954 2.380 1.00 0.00 H +ATOM 3159 H2 WAT A1053 20.330 37.751 1.696 1.00 0.00 H +ATOM 3160 O1 WAT A1054 22.442 8.213 32.838 1.00 0.00 O +ATOM 3161 H1 WAT A1054 22.005 7.379 32.665 1.00 0.00 H +ATOM 3162 H2 WAT A1054 23.373 7.996 32.861 1.00 0.00 H +ATOM 3163 O1 WAT A1055 34.932 0.284 26.898 1.00 0.00 O +ATOM 3164 H1 WAT A1055 34.009 0.107 27.077 1.00 0.00 H +ATOM 3165 H2 WAT A1055 35.390 0.000 27.689 1.00 0.00 H +ATOM 3166 O1 WAT A1056 12.479 28.400 3.293 1.00 0.00 O +ATOM 3167 H1 WAT A1056 11.671 28.638 2.840 1.00 0.00 H +ATOM 3168 H2 WAT A1056 12.214 28.263 4.202 1.00 0.00 H +ATOM 3169 O1 WAT A1057 26.210 27.933 6.948 1.00 0.00 O +ATOM 3170 H1 WAT A1057 25.571 27.959 7.660 1.00 0.00 H +ATOM 3171 H2 WAT A1057 25.746 27.517 6.223 1.00 0.00 H +ATOM 3172 O1 WAT A1058 34.303 24.780 24.549 1.00 0.00 O +ATOM 3173 H1 WAT A1058 33.490 24.308 24.729 1.00 0.00 H +ATOM 3174 H2 WAT A1058 34.701 24.910 25.409 1.00 0.00 H +ATOM 3175 O1 WAT A1059 32.571 31.228 5.685 1.00 0.00 O +ATOM 3176 H1 WAT A1059 31.938 30.510 5.705 1.00 0.00 H +ATOM 3177 H2 WAT A1059 33.255 30.962 6.299 1.00 0.00 H +ATOM 3178 O1 WAT A1060 19.151 31.648 3.043 1.00 0.00 O +ATOM 3179 H1 WAT A1060 18.406 32.027 3.510 1.00 0.00 H +ATOM 3180 H2 WAT A1060 18.982 30.707 3.045 1.00 0.00 H +ATOM 3181 O1 WAT A1061 14.686 6.789 10.887 1.00 0.00 O +ATOM 3182 H1 WAT A1061 14.599 7.253 11.720 1.00 0.00 H +ATOM 3183 H2 WAT A1061 14.002 7.163 10.332 1.00 0.00 H +ATOM 3184 O1 WAT A1062 20.315 19.970 11.130 1.00 0.00 O +ATOM 3185 H1 WAT A1062 20.415 19.306 10.448 1.00 0.00 H +ATOM 3186 H2 WAT A1062 19.405 19.889 11.413 1.00 0.00 H +ATOM 3187 O1 WAT A1063 14.566 12.568 28.813 1.00 0.00 O +ATOM 3188 H1 WAT A1063 13.739 12.110 28.659 1.00 0.00 H +ATOM 3189 H2 WAT A1063 14.308 13.410 29.186 1.00 0.00 H +ATOM 3190 O1 WAT A1064 28.693 27.966 18.594 1.00 0.00 O +ATOM 3191 H1 WAT A1064 29.644 28.040 18.667 1.00 0.00 H +ATOM 3192 H2 WAT A1064 28.402 28.844 18.350 1.00 0.00 H +ATOM 3193 O1 WAT A1065 26.606 7.681 7.804 1.00 0.00 O +ATOM 3194 H1 WAT A1065 25.811 7.353 8.225 1.00 0.00 H +ATOM 3195 H2 WAT A1065 27.143 8.006 8.526 1.00 0.00 H +ATOM 3196 O1 WAT A1066 8.286 21.958 10.117 1.00 0.00 O +ATOM 3197 H1 WAT A1066 7.453 22.119 9.672 1.00 0.00 H +ATOM 3198 H2 WAT A1066 8.368 21.005 10.136 1.00 0.00 H +ATOM 3199 O1 WAT A1067 14.466 37.923 4.013 1.00 0.00 O +ATOM 3200 H1 WAT A1067 14.562 38.399 3.188 1.00 0.00 H +ATOM 3201 H2 WAT A1067 13.784 38.398 4.487 1.00 0.00 H +ATOM 3202 O1 WAT A1068 5.333 32.936 2.242 1.00 0.00 O +ATOM 3203 H1 WAT A1068 4.515 32.605 2.613 1.00 0.00 H +ATOM 3204 H2 WAT A1068 5.133 33.835 1.981 1.00 0.00 H +ATOM 3205 O1 WAT A1069 14.660 37.327 16.046 1.00 0.00 O +ATOM 3206 H1 WAT A1069 13.813 37.473 15.624 1.00 0.00 H +ATOM 3207 H2 WAT A1069 15.279 37.251 15.321 1.00 0.00 H +ATOM 3208 O1 WAT A1070 24.837 11.119 31.940 1.00 0.00 O +ATOM 3209 H1 WAT A1070 25.224 10.303 32.260 1.00 0.00 H +ATOM 3210 H2 WAT A1070 25.563 11.742 31.931 1.00 0.00 H +ATOM 3211 O1 WAT A1071 6.148 -0.000 14.271 1.00 0.00 O +ATOM 3212 H1 WAT A1071 5.540 0.658 13.934 1.00 0.00 H +ATOM 3213 H2 WAT A1071 6.874 0.001 13.648 1.00 0.00 H +ATOM 3214 O1 WAT A1072 0.438 37.913 29.101 1.00 0.00 O +ATOM 3215 H1 WAT A1072 0.943 38.391 29.759 1.00 0.00 H +ATOM 3216 H2 WAT A1072 1.095 37.568 28.497 1.00 0.00 H +ATOM 3217 O1 WAT A1073 12.892 0.677 23.458 1.00 0.00 O +ATOM 3218 H1 WAT A1073 13.524 1.264 23.041 1.00 0.00 H +ATOM 3219 H2 WAT A1073 13.175 0.628 24.370 1.00 0.00 H +ATOM 3220 O1 WAT A1074 33.017 17.691 0.757 1.00 0.00 O +ATOM 3221 H1 WAT A1074 32.415 17.168 0.228 1.00 0.00 H +ATOM 3222 H2 WAT A1074 33.652 18.034 0.130 1.00 0.00 H +ATOM 3223 O1 WAT A1075 22.410 7.863 7.554 1.00 0.00 O +ATOM 3224 H1 WAT A1075 23.362 7.767 7.599 1.00 0.00 H +ATOM 3225 H2 WAT A1075 22.270 8.793 7.383 1.00 0.00 H +ATOM 3226 O1 WAT A1076 33.063 31.736 25.814 1.00 0.00 O +ATOM 3227 H1 WAT A1076 33.112 32.691 25.862 1.00 0.00 H +ATOM 3228 H2 WAT A1076 32.533 31.484 26.569 1.00 0.00 H +ATOM 3229 O1 WAT A1077 10.492 2.934 30.273 1.00 0.00 O +ATOM 3230 H1 WAT A1077 11.163 2.255 30.190 1.00 0.00 H +ATOM 3231 H2 WAT A1077 10.943 3.746 30.046 1.00 0.00 H +ATOM 3232 O1 WAT A1078 38.404 13.348 18.244 1.00 0.00 O +ATOM 3233 H1 WAT A1078 38.281 13.941 17.503 1.00 0.00 H +ATOM 3234 H2 WAT A1078 38.347 12.472 17.863 1.00 0.00 H +ATOM 3235 O1 WAT A1079 4.301 31.141 31.648 1.00 0.00 O +ATOM 3236 H1 WAT A1079 5.034 30.525 31.685 1.00 0.00 H +ATOM 3237 H2 WAT A1079 3.552 30.643 31.975 1.00 0.00 H +ATOM 3238 O1 WAT A1080 28.838 28.896 11.487 1.00 0.00 O +ATOM 3239 H1 WAT A1080 29.620 29.384 11.746 1.00 0.00 H +ATOM 3240 H2 WAT A1080 28.112 29.379 11.879 1.00 0.00 H +ATOM 3241 O1 WAT A1081 4.707 2.703 0.324 1.00 0.00 O +ATOM 3242 H1 WAT A1081 4.713 1.753 0.205 1.00 0.00 H +ATOM 3243 H2 WAT A1081 3.918 2.876 0.836 1.00 0.00 H +ATOM 3244 O1 WAT A1082 11.411 26.218 25.752 1.00 0.00 O +ATOM 3245 H1 WAT A1082 12.132 25.599 25.860 1.00 0.00 H +ATOM 3246 H2 WAT A1082 10.642 25.752 26.080 1.00 0.00 H +ATOM 3247 O1 WAT A1083 16.909 12.061 23.663 1.00 0.00 O +ATOM 3248 H1 WAT A1083 16.967 12.074 24.618 1.00 0.00 H +ATOM 3249 H2 WAT A1083 16.214 12.686 23.455 1.00 0.00 H +ATOM 3250 O1 WAT A1084 3.053 14.212 32.647 1.00 0.00 O +ATOM 3251 H1 WAT A1084 2.756 13.803 31.834 1.00 0.00 H +ATOM 3252 H2 WAT A1084 2.351 14.817 32.883 1.00 0.00 H +ATOM 3253 O1 WAT A1085 27.621 0.834 35.940 1.00 0.00 O +ATOM 3254 H1 WAT A1085 28.022 1.658 36.216 1.00 0.00 H +ATOM 3255 H2 WAT A1085 26.698 0.925 36.173 1.00 0.00 H +ATOM 3256 O1 WAT A1086 5.441 27.630 17.245 1.00 0.00 O +ATOM 3257 H1 WAT A1086 5.157 28.438 16.819 1.00 0.00 H +ATOM 3258 H2 WAT A1086 4.657 27.301 17.684 1.00 0.00 H +ATOM 3259 O1 WAT A1087 17.279 29.100 27.128 1.00 0.00 O +ATOM 3260 H1 WAT A1087 16.756 28.529 27.691 1.00 0.00 H +ATOM 3261 H2 WAT A1087 17.588 29.794 27.710 1.00 0.00 H +ATOM 3262 O1 WAT A1088 12.425 25.197 19.977 1.00 0.00 O +ATOM 3263 H1 WAT A1088 11.987 24.915 19.174 1.00 0.00 H +ATOM 3264 H2 WAT A1088 13.280 25.512 19.686 1.00 0.00 H +ATOM 3265 O1 WAT A1089 32.569 5.959 4.403 1.00 0.00 O +ATOM 3266 H1 WAT A1089 31.925 5.975 5.111 1.00 0.00 H +ATOM 3267 H2 WAT A1089 33.267 6.543 4.699 1.00 0.00 H +ATOM 3268 O1 WAT A1090 4.139 1.686 10.729 1.00 0.00 O +ATOM 3269 H1 WAT A1090 3.340 2.085 11.074 1.00 0.00 H +ATOM 3270 H2 WAT A1090 4.145 0.802 11.095 1.00 0.00 H +ATOM 3271 O1 WAT A1091 13.586 5.416 38.185 1.00 0.00 O +ATOM 3272 H1 WAT A1091 13.523 4.485 38.399 1.00 0.00 H +ATOM 3273 H2 WAT A1091 14.188 5.452 37.443 1.00 0.00 H +ATOM 3274 O1 WAT A1092 21.684 10.534 20.492 1.00 0.00 O +ATOM 3275 H1 WAT A1092 21.134 9.774 20.686 1.00 0.00 H +ATOM 3276 H2 WAT A1092 21.068 11.213 20.220 1.00 0.00 H +ATOM 3277 O1 WAT A1093 7.510 4.674 37.398 1.00 0.00 O +ATOM 3278 H1 WAT A1093 7.888 4.031 36.798 1.00 0.00 H +ATOM 3279 H2 WAT A1093 8.161 5.373 37.443 1.00 0.00 H +ATOM 3280 O1 WAT A1094 35.911 26.148 23.922 1.00 0.00 O +ATOM 3281 H1 WAT A1094 36.526 26.580 23.329 1.00 0.00 H +ATOM 3282 H2 WAT A1094 35.140 26.715 23.922 1.00 0.00 H +ATOM 3283 O1 WAT A1095 6.843 27.654 -0.001 1.00 0.00 O +ATOM 3284 H1 WAT A1095 7.697 28.079 0.085 1.00 0.00 H +ATOM 3285 H2 WAT A1095 6.511 27.600 0.895 1.00 0.00 H +ATOM 3286 O1 WAT A1096 12.814 21.791 0.747 1.00 0.00 O +ATOM 3287 H1 WAT A1096 12.133 21.159 0.981 1.00 0.00 H +ATOM 3288 H2 WAT A1096 13.263 21.395 0.001 1.00 0.00 H +ATOM 3289 O1 WAT A1097 7.479 28.359 36.405 1.00 0.00 O +ATOM 3290 H1 WAT A1097 6.750 28.190 35.808 1.00 0.00 H +ATOM 3291 H2 WAT A1097 7.947 27.526 36.455 1.00 0.00 H +ATOM 3292 O1 WAT A1098 5.656 20.533 7.509 1.00 0.00 O +ATOM 3293 H1 WAT A1098 5.789 19.887 6.815 1.00 0.00 H +ATOM 3294 H2 WAT A1098 4.803 20.313 7.882 1.00 0.00 H +ATOM 3295 O1 WAT A1099 33.159 11.818 26.189 1.00 0.00 O +ATOM 3296 H1 WAT A1099 33.501 12.000 27.065 1.00 0.00 H +ATOM 3297 H2 WAT A1099 33.937 11.645 25.659 1.00 0.00 H +ATOM 3298 O1 WAT A1100 19.194 6.653 17.591 1.00 0.00 O +ATOM 3299 H1 WAT A1100 19.376 7.590 17.519 1.00 0.00 H +ATOM 3300 H2 WAT A1100 20.014 6.273 17.905 1.00 0.00 H +ATOM 3301 O1 WAT A1101 0.000 28.855 25.014 1.00 0.00 O +ATOM 3302 H1 WAT A1101 0.623 29.581 25.046 1.00 0.00 H +ATOM 3303 H2 WAT A1101 0.285 28.263 25.710 1.00 0.00 H +ATOM 3304 O1 WAT A1102 33.770 22.518 16.006 1.00 0.00 O +ATOM 3305 H1 WAT A1102 34.280 22.647 15.207 1.00 0.00 H +ATOM 3306 H2 WAT A1102 33.042 21.957 15.739 1.00 0.00 H +ATOM 3307 O1 WAT A1103 22.461 38.193 12.317 1.00 0.00 O +ATOM 3308 H1 WAT A1103 23.304 37.772 12.487 1.00 0.00 H +ATOM 3309 H2 WAT A1103 21.810 37.563 12.624 1.00 0.00 H +ATOM 3310 O1 WAT A1104 22.233 28.428 15.736 1.00 0.00 O +ATOM 3311 H1 WAT A1104 23.046 27.992 15.482 1.00 0.00 H +ATOM 3312 H2 WAT A1104 22.351 29.337 15.461 1.00 0.00 H +ATOM 3313 O1 WAT A1105 9.790 14.231 21.573 1.00 0.00 O +ATOM 3314 H1 WAT A1105 10.576 14.777 21.593 1.00 0.00 H +ATOM 3315 H2 WAT A1105 9.139 14.764 21.118 1.00 0.00 H +ATOM 3316 O1 WAT A1106 8.205 13.310 24.614 1.00 0.00 O +ATOM 3317 H1 WAT A1106 7.758 12.508 24.343 1.00 0.00 H +ATOM 3318 H2 WAT A1106 7.500 13.912 24.850 1.00 0.00 H +ATOM 3319 O1 WAT A1107 24.299 36.960 23.629 1.00 0.00 O +ATOM 3320 H1 WAT A1107 23.887 36.430 22.947 1.00 0.00 H +ATOM 3321 H2 WAT A1107 24.692 37.695 23.159 1.00 0.00 H +ATOM 3322 O1 WAT A1108 14.854 31.987 25.874 1.00 0.00 O +ATOM 3323 H1 WAT A1108 13.968 32.350 25.899 1.00 0.00 H +ATOM 3324 H2 WAT A1108 14.742 31.105 25.520 1.00 0.00 H +ATOM 3325 O1 WAT A1109 13.211 14.178 32.805 1.00 0.00 O +ATOM 3326 H1 WAT A1109 12.410 13.800 33.169 1.00 0.00 H +ATOM 3327 H2 WAT A1109 13.372 13.675 32.007 1.00 0.00 H +ATOM 3328 O1 WAT A1110 37.096 13.292 8.267 1.00 0.00 O +ATOM 3329 H1 WAT A1110 37.268 13.855 9.022 1.00 0.00 H +ATOM 3330 H2 WAT A1110 36.233 13.566 7.956 1.00 0.00 H +ATOM 3331 O1 WAT A1111 28.268 18.917 22.006 1.00 0.00 O +ATOM 3332 H1 WAT A1111 27.396 19.307 21.934 1.00 0.00 H +ATOM 3333 H2 WAT A1111 28.856 19.663 22.121 1.00 0.00 H +ATOM 3334 O1 WAT A1112 21.260 25.250 13.615 1.00 0.00 O +ATOM 3335 H1 WAT A1112 20.875 24.437 13.942 1.00 0.00 H +ATOM 3336 H2 WAT A1112 20.830 25.398 12.773 1.00 0.00 H +ATOM 3337 O1 WAT A1113 34.901 16.918 33.317 1.00 0.00 O +ATOM 3338 H1 WAT A1113 35.680 16.550 32.899 1.00 0.00 H +ATOM 3339 H2 WAT A1113 34.284 16.188 33.361 1.00 0.00 H +ATOM 3340 O1 WAT A1114 8.494 37.105 23.099 1.00 0.00 O +ATOM 3341 H1 WAT A1114 8.365 36.395 23.729 1.00 0.00 H +ATOM 3342 H2 WAT A1114 7.817 37.745 23.317 1.00 0.00 H +ATOM 3343 O1 WAT A1115 13.531 23.742 24.140 1.00 0.00 O +ATOM 3344 H1 WAT A1115 12.679 24.147 24.301 1.00 0.00 H +ATOM 3345 H2 WAT A1115 13.336 22.983 23.590 1.00 0.00 H +ATOM 3346 O1 WAT A1116 26.904 36.933 27.263 1.00 0.00 O +ATOM 3347 H1 WAT A1116 27.536 36.241 27.069 1.00 0.00 H +ATOM 3348 H2 WAT A1116 26.918 37.012 28.216 1.00 0.00 H +ATOM 3349 O1 WAT A1117 7.279 32.312 16.363 1.00 0.00 O +ATOM 3350 H1 WAT A1117 8.171 31.965 16.350 1.00 0.00 H +ATOM 3351 H2 WAT A1117 6.719 31.538 16.320 1.00 0.00 H +ATOM 3352 O1 WAT A1118 25.675 22.474 25.995 1.00 0.00 O +ATOM 3353 H1 WAT A1118 26.008 22.219 25.134 1.00 0.00 H +ATOM 3354 H2 WAT A1118 26.433 22.843 26.447 1.00 0.00 H +ATOM 3355 O1 WAT A1119 1.224 7.107 4.275 1.00 0.00 O +ATOM 3356 H1 WAT A1119 0.388 7.172 4.736 1.00 0.00 H +ATOM 3357 H2 WAT A1119 1.499 6.199 4.401 1.00 0.00 H +ATOM 3358 O1 WAT A1120 35.317 5.787 6.587 1.00 0.00 O +ATOM 3359 H1 WAT A1120 35.115 6.659 6.926 1.00 0.00 H +ATOM 3360 H2 WAT A1120 34.499 5.488 6.191 1.00 0.00 H +ATOM 3361 O1 WAT A1121 29.713 30.712 19.545 1.00 0.00 O +ATOM 3362 H1 WAT A1121 28.932 31.265 19.553 1.00 0.00 H +ATOM 3363 H2 WAT A1121 30.350 31.188 20.077 1.00 0.00 H +ATOM 3364 O1 WAT A1122 31.997 14.339 22.018 1.00 0.00 O +ATOM 3365 H1 WAT A1122 31.174 14.190 22.483 1.00 0.00 H +ATOM 3366 H2 WAT A1122 31.750 14.854 21.250 1.00 0.00 H +ATOM 3367 O1 WAT A1123 30.698 12.463 6.412 1.00 0.00 O +ATOM 3368 H1 WAT A1123 29.768 12.643 6.552 1.00 0.00 H +ATOM 3369 H2 WAT A1123 30.789 12.386 5.463 1.00 0.00 H +ATOM 3370 O1 WAT A1124 4.839 21.779 20.314 1.00 0.00 O +ATOM 3371 H1 WAT A1124 4.241 21.446 19.644 1.00 0.00 H +ATOM 3372 H2 WAT A1124 5.587 22.116 19.822 1.00 0.00 H +ATOM 3373 O1 WAT A1125 27.180 31.856 5.019 1.00 0.00 O +ATOM 3374 H1 WAT A1125 26.550 32.477 5.386 1.00 0.00 H +ATOM 3375 H2 WAT A1125 26.845 31.663 4.144 1.00 0.00 H +ATOM 3376 O1 WAT A1126 32.395 32.198 21.531 1.00 0.00 O +ATOM 3377 H1 WAT A1126 32.374 31.246 21.425 1.00 0.00 H +ATOM 3378 H2 WAT A1126 33.325 32.420 21.521 1.00 0.00 H +ATOM 3379 O1 WAT A1127 28.245 24.444 22.996 1.00 0.00 O +ATOM 3380 H1 WAT A1127 29.100 24.775 23.272 1.00 0.00 H +ATOM 3381 H2 WAT A1127 27.668 25.206 23.036 1.00 0.00 H +ATOM 3382 O1 WAT A1128 23.239 8.686 38.219 1.00 0.00 O +ATOM 3383 H1 WAT A1128 23.599 8.738 37.334 1.00 0.00 H +ATOM 3384 H2 WAT A1128 22.473 8.118 38.134 1.00 0.00 H +ATOM 3385 O1 WAT A1129 32.495 28.122 36.257 1.00 0.00 O +ATOM 3386 H1 WAT A1129 31.639 28.540 36.165 1.00 0.00 H +ATOM 3387 H2 WAT A1129 32.325 27.340 36.781 1.00 0.00 H +ATOM 3388 O1 WAT A1130 35.249 25.460 6.191 1.00 0.00 O +ATOM 3389 H1 WAT A1130 34.296 25.530 6.252 1.00 0.00 H +ATOM 3390 H2 WAT A1130 35.474 25.936 5.392 1.00 0.00 H +ATOM 3391 O1 WAT A1131 26.773 8.555 32.546 1.00 0.00 O +ATOM 3392 H1 WAT A1131 27.442 8.894 33.141 1.00 0.00 H +ATOM 3393 H2 WAT A1131 27.023 7.643 32.398 1.00 0.00 H +ATOM 3394 O1 WAT A1132 18.863 30.809 29.190 1.00 0.00 O +ATOM 3395 H1 WAT A1132 19.279 31.041 28.359 1.00 0.00 H +ATOM 3396 H2 WAT A1132 18.435 31.615 29.477 1.00 0.00 H +ATOM 3397 O1 WAT A1133 12.675 29.601 24.256 1.00 0.00 O +ATOM 3398 H1 WAT A1133 12.012 28.915 24.169 1.00 0.00 H +ATOM 3399 H2 WAT A1133 13.492 29.181 23.992 1.00 0.00 H +ATOM 3400 O1 WAT A1134 10.313 13.128 32.941 1.00 0.00 O +ATOM 3401 H1 WAT A1134 9.365 13.064 33.051 1.00 0.00 H +ATOM 3402 H2 WAT A1134 10.551 12.345 32.445 1.00 0.00 H +ATOM 3403 O1 WAT A1135 8.298 32.354 19.061 1.00 0.00 O +ATOM 3404 H1 WAT A1135 7.580 32.968 18.910 1.00 0.00 H +ATOM 3405 H2 WAT A1135 7.895 31.489 18.987 1.00 0.00 H +ATOM 3406 O1 WAT A1136 12.315 17.985 5.398 1.00 0.00 O +ATOM 3407 H1 WAT A1136 11.372 17.949 5.236 1.00 0.00 H +ATOM 3408 H2 WAT A1136 12.498 17.209 5.926 1.00 0.00 H +ATOM 3409 O1 WAT A1137 32.880 19.051 30.145 1.00 0.00 O +ATOM 3410 H1 WAT A1137 31.976 18.845 30.382 1.00 0.00 H +ATOM 3411 H2 WAT A1137 33.298 18.198 30.027 1.00 0.00 H +ATOM 3412 O1 WAT A1138 21.106 2.678 21.405 1.00 0.00 O +ATOM 3413 H1 WAT A1138 21.628 2.642 22.207 1.00 0.00 H +ATOM 3414 H2 WAT A1138 21.663 3.134 20.775 1.00 0.00 H +ATOM 3415 O1 WAT A1139 11.672 32.846 30.708 1.00 0.00 O +ATOM 3416 H1 WAT A1139 11.450 32.762 31.635 1.00 0.00 H +ATOM 3417 H2 WAT A1139 11.927 31.964 30.441 1.00 0.00 H +ATOM 3418 O1 WAT A1140 26.556 33.637 3.217 1.00 0.00 O +ATOM 3419 H1 WAT A1140 27.161 34.196 2.728 1.00 0.00 H +ATOM 3420 H2 WAT A1140 25.690 33.992 3.021 1.00 0.00 H +ATOM 3421 O1 WAT A1141 15.247 30.191 0.407 1.00 0.00 O +ATOM 3422 H1 WAT A1141 15.264 31.149 0.410 1.00 0.00 H +ATOM 3423 H2 WAT A1141 16.130 29.936 0.140 1.00 0.00 H +ATOM 3424 O1 WAT A1142 24.686 10.584 0.566 1.00 0.00 O +ATOM 3425 H1 WAT A1142 23.821 10.988 0.491 1.00 0.00 H +ATOM 3426 H2 WAT A1142 24.642 9.814 0.000 1.00 0.00 H +ATOM 3427 O1 WAT A1143 13.302 22.417 12.843 1.00 0.00 O +ATOM 3428 H1 WAT A1143 13.794 23.238 12.858 1.00 0.00 H +ATOM 3429 H2 WAT A1143 13.904 21.770 13.209 1.00 0.00 H +ATOM 3430 O1 WAT A1144 25.749 23.564 17.877 1.00 0.00 O +ATOM 3431 H1 WAT A1144 25.434 23.442 16.981 1.00 0.00 H +ATOM 3432 H2 WAT A1144 26.516 22.995 17.942 1.00 0.00 H +ATOM 3433 O1 WAT A1145 25.105 14.761 32.549 1.00 0.00 O +ATOM 3434 H1 WAT A1145 25.824 15.029 31.977 1.00 0.00 H +ATOM 3435 H2 WAT A1145 25.420 13.962 32.972 1.00 0.00 H +ATOM 3436 O1 WAT A1146 34.605 22.950 20.640 1.00 0.00 O +ATOM 3437 H1 WAT A1146 33.692 23.211 20.519 1.00 0.00 H +ATOM 3438 H2 WAT A1146 34.660 22.080 20.245 1.00 0.00 H +ATOM 3439 O1 WAT A1147 16.525 29.296 3.054 1.00 0.00 O +ATOM 3440 H1 WAT A1147 16.897 30.108 3.398 1.00 0.00 H +ATOM 3441 H2 WAT A1147 15.822 29.581 2.471 1.00 0.00 H +ATOM 3442 O1 WAT A1148 3.112 36.440 2.501 1.00 0.00 O +ATOM 3443 H1 WAT A1148 3.731 36.222 1.803 1.00 0.00 H +ATOM 3444 H2 WAT A1148 3.078 35.655 3.046 1.00 0.00 H +ATOM 3445 O1 WAT A1149 5.979 19.992 35.489 1.00 0.00 O +ATOM 3446 H1 WAT A1149 6.860 20.337 35.345 1.00 0.00 H +ATOM 3447 H2 WAT A1149 5.564 20.628 36.071 1.00 0.00 H +ATOM 3448 O1 WAT A1150 1.004 8.559 12.117 1.00 0.00 O +ATOM 3449 H1 WAT A1150 1.610 8.397 11.394 1.00 0.00 H +ATOM 3450 H2 WAT A1150 1.559 8.575 12.896 1.00 0.00 H +ATOM 3451 O1 WAT A1151 1.571 9.609 34.518 1.00 0.00 O +ATOM 3452 H1 WAT A1151 2.412 9.294 34.187 1.00 0.00 H +ATOM 3453 H2 WAT A1151 1.166 8.838 34.915 1.00 0.00 H +ATOM 3454 O1 WAT A1152 32.770 29.577 8.456 1.00 0.00 O +ATOM 3455 H1 WAT A1152 32.490 29.168 7.637 1.00 0.00 H +ATOM 3456 H2 WAT A1152 33.605 29.993 8.244 1.00 0.00 H +ATOM 3457 O1 WAT A1153 23.109 23.154 2.493 1.00 0.00 O +ATOM 3458 H1 WAT A1153 22.197 23.014 2.749 1.00 0.00 H +ATOM 3459 H2 WAT A1153 23.529 23.501 3.280 1.00 0.00 H +ATOM 3460 O1 WAT A1154 7.941 24.603 21.776 1.00 0.00 O +ATOM 3461 H1 WAT A1154 8.160 25.535 21.771 1.00 0.00 H +ATOM 3462 H2 WAT A1154 8.762 24.165 21.999 1.00 0.00 H +ATOM 3463 O1 WAT A1155 28.129 25.133 34.085 1.00 0.00 O +ATOM 3464 H1 WAT A1155 28.982 24.911 33.713 1.00 0.00 H +ATOM 3465 H2 WAT A1155 27.650 24.305 34.100 1.00 0.00 H +ATOM 3466 O1 WAT A1156 13.037 7.015 24.301 1.00 0.00 O +ATOM 3467 H1 WAT A1156 13.185 6.069 24.275 1.00 0.00 H +ATOM 3468 H2 WAT A1156 12.144 7.109 24.631 1.00 0.00 H +ATOM 3469 O1 WAT A1157 36.678 13.980 15.997 1.00 0.00 O +ATOM 3470 H1 WAT A1157 36.903 14.907 15.915 1.00 0.00 H +ATOM 3471 H2 WAT A1157 35.936 13.859 15.406 1.00 0.00 H +ATOM 3472 O1 WAT A1158 26.323 16.382 4.322 1.00 0.00 O +ATOM 3473 H1 WAT A1158 25.569 16.537 4.892 1.00 0.00 H +ATOM 3474 H2 WAT A1158 26.799 15.667 4.743 1.00 0.00 H +ATOM 3475 O1 WAT A1159 38.364 29.000 5.997 1.00 0.00 O +ATOM 3476 H1 WAT A1159 38.400 28.672 6.896 1.00 0.00 H +ATOM 3477 H2 WAT A1159 37.688 29.677 6.015 1.00 0.00 H +ATOM 3478 O1 WAT A1160 5.957 26.151 8.695 1.00 0.00 O +ATOM 3479 H1 WAT A1160 6.158 25.588 9.442 1.00 0.00 H +ATOM 3480 H2 WAT A1160 5.002 26.198 8.679 1.00 0.00 H +ATOM 3481 O1 WAT A1161 36.954 21.503 30.115 1.00 0.00 O +ATOM 3482 H1 WAT A1161 36.967 21.157 31.007 1.00 0.00 H +ATOM 3483 H2 WAT A1161 36.198 21.084 29.706 1.00 0.00 H +ATOM 3484 O1 WAT A1162 29.904 7.791 17.003 1.00 0.00 O +ATOM 3485 H1 WAT A1162 29.392 7.037 17.295 1.00 0.00 H +ATOM 3486 H2 WAT A1162 30.093 7.611 16.083 1.00 0.00 H +ATOM 3487 O1 WAT A1163 37.751 18.024 30.407 1.00 0.00 O +ATOM 3488 H1 WAT A1163 38.400 18.528 29.916 1.00 0.00 H +ATOM 3489 H2 WAT A1163 38.109 17.969 31.292 1.00 0.00 H +ATOM 3490 O1 WAT A1164 15.051 15.832 3.177 1.00 0.00 O +ATOM 3491 H1 WAT A1164 15.483 15.112 2.717 1.00 0.00 H +ATOM 3492 H2 WAT A1164 15.621 16.586 3.032 1.00 0.00 H +ATOM 3493 O1 WAT A1165 34.977 22.839 23.225 1.00 0.00 O +ATOM 3494 H1 WAT A1165 34.866 23.656 22.737 1.00 0.00 H +ATOM 3495 H2 WAT A1165 34.523 22.182 22.699 1.00 0.00 H +ATOM 3496 O1 WAT A1166 23.471 8.803 28.959 1.00 0.00 O +ATOM 3497 H1 WAT A1166 23.412 9.757 29.022 1.00 0.00 H +ATOM 3498 H2 WAT A1166 22.650 8.487 29.335 1.00 0.00 H +ATOM 3499 O1 WAT A1167 9.594 34.384 16.891 1.00 0.00 O +ATOM 3500 H1 WAT A1167 8.711 34.448 17.253 1.00 0.00 H +ATOM 3501 H2 WAT A1167 9.747 33.445 16.793 1.00 0.00 H +ATOM 3502 O1 WAT A1168 13.152 5.432 33.482 1.00 0.00 O +ATOM 3503 H1 WAT A1168 12.916 4.512 33.602 1.00 0.00 H +ATOM 3504 H2 WAT A1168 13.886 5.414 32.870 1.00 0.00 H +ATOM 3505 O1 WAT A1169 38.237 34.013 9.747 1.00 0.00 O +ATOM 3506 H1 WAT A1169 37.927 34.654 10.388 1.00 0.00 H +ATOM 3507 H2 WAT A1169 38.400 34.524 8.956 1.00 0.00 H +ATOM 3508 O1 WAT A1170 24.111 16.477 9.285 1.00 0.00 O +ATOM 3509 H1 WAT A1170 23.701 16.186 8.471 1.00 0.00 H +ATOM 3510 H2 WAT A1170 24.868 16.989 9.004 1.00 0.00 H +ATOM 3511 O1 WAT A1171 19.044 25.508 19.480 1.00 0.00 O +ATOM 3512 H1 WAT A1171 19.153 25.608 18.534 1.00 0.00 H +ATOM 3513 H2 WAT A1171 19.862 25.109 19.775 1.00 0.00 H +ATOM 3514 O1 WAT A1172 30.145 12.021 35.715 1.00 0.00 O +ATOM 3515 H1 WAT A1172 29.866 12.588 36.434 1.00 0.00 H +ATOM 3516 H2 WAT A1172 29.865 11.145 35.979 1.00 0.00 H +ATOM 3517 O1 WAT A1173 10.787 24.204 17.388 1.00 0.00 O +ATOM 3518 H1 WAT A1173 10.403 25.081 17.374 1.00 0.00 H +ATOM 3519 H2 WAT A1173 10.382 23.777 18.143 1.00 0.00 H +ATOM 3520 O1 WAT A1174 13.964 33.280 17.664 1.00 0.00 O +ATOM 3521 H1 WAT A1174 14.770 32.763 17.673 1.00 0.00 H +ATOM 3522 H2 WAT A1174 13.605 33.180 18.545 1.00 0.00 H +ATOM 3523 O1 WAT A1175 25.131 27.579 18.750 1.00 0.00 O +ATOM 3524 H1 WAT A1175 25.919 28.074 18.522 1.00 0.00 H +ATOM 3525 H2 WAT A1175 24.477 27.863 18.112 1.00 0.00 H +ATOM 3526 O1 WAT A1176 37.718 2.451 34.681 1.00 0.00 O +ATOM 3527 H1 WAT A1176 38.189 1.622 34.590 1.00 0.00 H +ATOM 3528 H2 WAT A1176 38.376 3.122 34.503 1.00 0.00 H +ATOM 3529 O1 WAT A1177 30.734 16.876 29.351 1.00 0.00 O +ATOM 3530 H1 WAT A1177 30.477 17.223 28.497 1.00 0.00 H +ATOM 3531 H2 WAT A1177 31.690 16.868 29.329 1.00 0.00 H +ATOM 3532 O1 WAT A1178 7.287 12.501 36.375 1.00 0.00 O +ATOM 3533 H1 WAT A1178 7.808 13.282 36.188 1.00 0.00 H +ATOM 3534 H2 WAT A1178 6.408 12.718 36.065 1.00 0.00 H +ATOM 3535 O1 WAT A1179 17.495 29.761 24.468 1.00 0.00 O +ATOM 3536 H1 WAT A1179 16.823 29.920 25.131 1.00 0.00 H +ATOM 3537 H2 WAT A1179 17.409 28.832 24.257 1.00 0.00 H +ATOM 3538 O1 WAT A1180 29.595 2.214 1.707 1.00 0.00 O +ATOM 3539 H1 WAT A1180 30.030 3.049 1.534 1.00 0.00 H +ATOM 3540 H2 WAT A1180 28.668 2.388 1.551 1.00 0.00 H +ATOM 3541 O1 WAT A1181 3.693 24.306 10.061 1.00 0.00 O +ATOM 3542 H1 WAT A1181 4.596 24.021 10.202 1.00 0.00 H +ATOM 3543 H2 WAT A1181 3.626 25.137 10.529 1.00 0.00 H +ATOM 3544 O1 WAT A1182 34.211 31.219 4.054 1.00 0.00 O +ATOM 3545 H1 WAT A1182 34.540 32.052 3.716 1.00 0.00 H +ATOM 3546 H2 WAT A1182 34.959 30.626 4.001 1.00 0.00 H +ATOM 3547 O1 WAT A1183 16.341 11.394 38.320 1.00 0.00 O +ATOM 3548 H1 WAT A1183 15.638 11.933 37.957 1.00 0.00 H +ATOM 3549 H2 WAT A1183 15.959 10.521 38.398 1.00 0.00 H +ATOM 3550 O1 WAT A1184 0.374 31.684 32.412 1.00 0.00 O +ATOM 3551 H1 WAT A1184 0.733 32.567 32.503 1.00 0.00 H +ATOM 3552 H2 WAT A1184 1.120 31.147 32.145 1.00 0.00 H +ATOM 3553 O1 WAT A1185 29.053 25.738 11.141 1.00 0.00 O +ATOM 3554 H1 WAT A1185 29.020 26.531 10.606 1.00 0.00 H +ATOM 3555 H2 WAT A1185 29.986 25.544 11.227 1.00 0.00 H +ATOM 3556 O1 WAT A1186 7.016 8.393 24.775 1.00 0.00 O +ATOM 3557 H1 WAT A1186 7.945 8.296 24.564 1.00 0.00 H +ATOM 3558 H2 WAT A1186 6.779 7.567 25.197 1.00 0.00 H +ATOM 3559 O1 WAT A1187 16.900 15.387 11.670 1.00 0.00 O +ATOM 3560 H1 WAT A1187 15.954 15.336 11.804 1.00 0.00 H +ATOM 3561 H2 WAT A1187 17.171 14.481 11.522 1.00 0.00 H +ATOM 3562 O1 WAT A1188 27.583 37.317 17.704 1.00 0.00 O +ATOM 3563 H1 WAT A1188 28.437 36.886 17.665 1.00 0.00 H +ATOM 3564 H2 WAT A1188 27.741 38.193 17.353 1.00 0.00 H +ATOM 3565 O1 WAT A1189 28.429 36.914 14.015 1.00 0.00 O +ATOM 3566 H1 WAT A1189 27.906 37.627 14.381 1.00 0.00 H +ATOM 3567 H2 WAT A1189 28.731 36.421 14.777 1.00 0.00 H +ATOM 3568 O1 WAT A1190 24.656 16.183 2.902 1.00 0.00 O +ATOM 3569 H1 WAT A1190 24.110 16.883 2.543 1.00 0.00 H +ATOM 3570 H2 WAT A1190 24.063 15.437 2.989 1.00 0.00 H +ATOM 3571 O1 WAT A1191 22.460 10.027 31.049 1.00 0.00 O +ATOM 3572 H1 WAT A1191 23.250 9.508 31.202 1.00 0.00 H +ATOM 3573 H2 WAT A1191 21.742 9.399 31.121 1.00 0.00 H +ATOM 3574 O1 WAT A1192 31.812 35.680 13.948 1.00 0.00 O +ATOM 3575 H1 WAT A1192 32.305 36.499 13.997 1.00 0.00 H +ATOM 3576 H2 WAT A1192 31.975 35.250 14.787 1.00 0.00 H +ATOM 3577 O1 WAT A1193 3.279 18.398 17.450 1.00 0.00 O +ATOM 3578 H1 WAT A1193 2.428 17.959 17.424 1.00 0.00 H +ATOM 3579 H2 WAT A1193 3.346 18.842 16.605 1.00 0.00 H +ATOM 3580 O1 WAT A1194 5.400 1.571 23.926 1.00 0.00 O +ATOM 3581 H1 WAT A1194 4.629 1.120 23.581 1.00 0.00 H +ATOM 3582 H2 WAT A1194 6.139 1.157 23.482 1.00 0.00 H +ATOM 3583 O1 WAT A1195 22.583 33.381 6.318 1.00 0.00 O +ATOM 3584 H1 WAT A1195 22.192 34.224 6.546 1.00 0.00 H +ATOM 3585 H2 WAT A1195 23.362 33.320 6.870 1.00 0.00 H +ATOM 3586 O1 WAT A1196 26.174 26.624 32.025 1.00 0.00 O +ATOM 3587 H1 WAT A1196 26.240 25.669 32.031 1.00 0.00 H +ATOM 3588 H2 WAT A1196 25.234 26.800 31.997 1.00 0.00 H +ATOM 3589 O1 WAT A1197 14.262 27.672 -0.013 1.00 0.00 O +ATOM 3590 H1 WAT A1197 15.204 27.812 0.083 1.00 0.00 H +ATOM 3591 H2 WAT A1197 14.122 26.772 0.280 1.00 0.00 H +ATOM 3592 O1 WAT A1198 37.545 5.158 32.512 1.00 0.00 O +ATOM 3593 H1 WAT A1198 36.933 4.425 32.582 1.00 0.00 H +ATOM 3594 H2 WAT A1198 38.400 4.777 32.712 1.00 0.00 H +ATOM 3595 O1 WAT A1199 17.298 1.755 1.752 1.00 0.00 O +ATOM 3596 H1 WAT A1199 17.775 2.531 2.047 1.00 0.00 H +ATOM 3597 H2 WAT A1199 17.522 1.673 0.826 1.00 0.00 H +ATOM 3598 O1 WAT A1200 16.544 27.645 34.910 1.00 0.00 O +ATOM 3599 H1 WAT A1200 17.163 27.056 35.341 1.00 0.00 H +ATOM 3600 H2 WAT A1200 16.621 28.469 35.391 1.00 0.00 H +ATOM 3601 O1 WAT A1201 12.385 16.605 19.989 1.00 0.00 O +ATOM 3602 H1 WAT A1201 11.788 16.883 19.295 1.00 0.00 H +ATOM 3603 H2 WAT A1201 12.973 17.349 20.113 1.00 0.00 H +ATOM 3604 O1 WAT A1202 25.089 17.455 14.858 1.00 0.00 O +ATOM 3605 H1 WAT A1202 25.734 16.781 15.072 1.00 0.00 H +ATOM 3606 H2 WAT A1202 24.262 16.980 14.779 1.00 0.00 H +ATOM 3607 O1 WAT A1203 27.172 34.953 6.439 1.00 0.00 O +ATOM 3608 H1 WAT A1203 27.090 35.895 6.589 1.00 0.00 H +ATOM 3609 H2 WAT A1203 28.055 34.841 6.089 1.00 0.00 H +ATOM 3610 O1 WAT A1204 11.786 22.827 34.218 1.00 0.00 O +ATOM 3611 H1 WAT A1204 10.953 23.287 34.121 1.00 0.00 H +ATOM 3612 H2 WAT A1204 11.718 22.381 35.062 1.00 0.00 H +ATOM 3613 O1 WAT A1205 4.060 2.685 5.949 1.00 0.00 O +ATOM 3614 H1 WAT A1205 3.501 1.930 6.131 1.00 0.00 H +ATOM 3615 H2 WAT A1205 4.764 2.337 5.403 1.00 0.00 H +ATOM 3616 O1 WAT A1206 12.312 6.160 6.588 1.00 0.00 O +ATOM 3617 H1 WAT A1206 13.204 5.888 6.804 1.00 0.00 H +ATOM 3618 H2 WAT A1206 11.816 5.344 6.542 1.00 0.00 H +ATOM 3619 O1 WAT A1207 22.353 1.569 18.011 1.00 0.00 O +ATOM 3620 H1 WAT A1207 23.225 1.278 17.743 1.00 0.00 H +ATOM 3621 H2 WAT A1207 22.390 2.523 17.956 1.00 0.00 H +ATOM 3622 O1 WAT A1208 1.272 1.864 0.628 1.00 0.00 O +ATOM 3623 H1 WAT A1208 2.174 1.556 0.539 1.00 0.00 H +ATOM 3624 H2 WAT A1208 1.219 2.197 1.523 1.00 0.00 H +ATOM 3625 O1 WAT A1209 31.702 28.971 18.777 1.00 0.00 O +ATOM 3626 H1 WAT A1209 32.319 29.700 18.713 1.00 0.00 H +ATOM 3627 H2 WAT A1209 32.220 28.247 19.128 1.00 0.00 H +ATOM 3628 O1 WAT A1210 25.769 17.934 22.486 1.00 0.00 O +ATOM 3629 H1 WAT A1210 25.067 17.595 23.042 1.00 0.00 H +ATOM 3630 H2 WAT A1210 26.454 17.268 22.531 1.00 0.00 H +ATOM 3631 O1 WAT A1211 15.389 37.919 19.656 1.00 0.00 O +ATOM 3632 H1 WAT A1211 14.479 38.211 19.603 1.00 0.00 H +ATOM 3633 H2 WAT A1211 15.785 38.214 18.836 1.00 0.00 H +ATOM 3634 O1 WAT A1212 19.264 34.171 21.325 1.00 0.00 O +ATOM 3635 H1 WAT A1212 19.018 33.924 20.433 1.00 0.00 H +ATOM 3636 H2 WAT A1212 19.023 35.094 21.395 1.00 0.00 H +ATOM 3637 O1 WAT A1213 31.754 3.627 10.303 1.00 0.00 O +ATOM 3638 H1 WAT A1213 32.477 4.119 10.693 1.00 0.00 H +ATOM 3639 H2 WAT A1213 31.037 4.257 10.248 1.00 0.00 H +ATOM 3640 O1 WAT A1214 11.735 2.928 21.842 1.00 0.00 O +ATOM 3641 H1 WAT A1214 11.164 2.160 21.830 1.00 0.00 H +ATOM 3642 H2 WAT A1214 11.163 3.658 21.607 1.00 0.00 H +ATOM 3643 O1 WAT A1215 19.801 17.398 15.901 1.00 0.00 O +ATOM 3644 H1 WAT A1215 19.444 18.286 15.942 1.00 0.00 H +ATOM 3645 H2 WAT A1215 19.032 16.831 15.860 1.00 0.00 H +ATOM 3646 O1 WAT A1216 29.969 35.532 21.225 1.00 0.00 O +ATOM 3647 H1 WAT A1216 30.185 34.625 21.006 1.00 0.00 H +ATOM 3648 H2 WAT A1216 29.361 35.462 21.961 1.00 0.00 H +ATOM 3649 O1 WAT A1217 12.719 29.851 0.832 1.00 0.00 O +ATOM 3650 H1 WAT A1217 12.961 29.443 0.001 1.00 0.00 H +ATOM 3651 H2 WAT A1217 13.148 30.707 0.813 1.00 0.00 H +ATOM 3652 O1 WAT A1218 35.852 19.846 23.401 1.00 0.00 O +ATOM 3653 H1 WAT A1218 36.246 19.911 24.271 1.00 0.00 H +ATOM 3654 H2 WAT A1218 35.214 19.138 23.479 1.00 0.00 H +ATOM 3655 O1 WAT A1219 37.239 6.581 5.156 1.00 0.00 O +ATOM 3656 H1 WAT A1219 37.391 6.297 6.058 1.00 0.00 H +ATOM 3657 H2 WAT A1219 36.915 7.478 5.239 1.00 0.00 H +ATOM 3658 O1 WAT A1220 20.099 26.829 36.155 1.00 0.00 O +ATOM 3659 H1 WAT A1220 19.216 27.198 36.117 1.00 0.00 H +ATOM 3660 H2 WAT A1220 20.323 26.647 35.244 1.00 0.00 H +ATOM 3661 O1 WAT A1221 8.050 9.740 30.474 1.00 0.00 O +ATOM 3662 H1 WAT A1221 7.415 9.095 30.164 1.00 0.00 H +ATOM 3663 H2 WAT A1221 7.550 10.309 31.057 1.00 0.00 H +ATOM 3664 O1 WAT A1222 12.585 11.526 32.295 1.00 0.00 O +ATOM 3665 H1 WAT A1222 13.539 11.494 32.221 1.00 0.00 H +ATOM 3666 H2 WAT A1222 12.366 10.814 32.895 1.00 0.00 H +ATOM 3667 O1 WAT A1223 13.563 30.338 3.394 1.00 0.00 O +ATOM 3668 H1 WAT A1223 13.330 30.181 4.309 1.00 0.00 H +ATOM 3669 H2 WAT A1223 12.735 30.558 2.969 1.00 0.00 H +ATOM 3670 O1 WAT A1224 0.915 33.089 18.628 1.00 0.00 O +ATOM 3671 H1 WAT A1224 1.464 32.314 18.748 1.00 0.00 H +ATOM 3672 H2 WAT A1224 1.535 33.814 18.557 1.00 0.00 H +ATOM 3673 O1 WAT A1225 26.984 20.915 19.559 1.00 0.00 O +ATOM 3674 H1 WAT A1225 26.182 21.150 19.092 1.00 0.00 H +ATOM 3675 H2 WAT A1225 27.323 21.747 19.887 1.00 0.00 H +ATOM 3676 O1 WAT A1226 35.601 17.624 21.256 1.00 0.00 O +ATOM 3677 H1 WAT A1226 35.717 17.229 22.121 1.00 0.00 H +ATOM 3678 H2 WAT A1226 34.788 18.123 21.328 1.00 0.00 H +ATOM 3679 O1 WAT A1227 25.213 25.582 13.890 1.00 0.00 O +ATOM 3680 H1 WAT A1227 25.305 24.740 14.337 1.00 0.00 H +ATOM 3681 H2 WAT A1227 24.622 26.087 14.447 1.00 0.00 H +ATOM 3682 O1 WAT A1228 36.360 4.967 38.224 1.00 0.00 O +ATOM 3683 H1 WAT A1228 37.241 4.637 38.400 1.00 0.00 H +ATOM 3684 H2 WAT A1228 35.786 4.218 38.382 1.00 0.00 H +ATOM 3685 O1 WAT A1229 37.838 21.928 22.375 1.00 0.00 O +ATOM 3686 H1 WAT A1229 38.393 22.690 22.209 1.00 0.00 H +ATOM 3687 H2 WAT A1229 38.369 21.361 22.934 1.00 0.00 H +ATOM 3688 O1 WAT A1230 28.663 32.751 7.301 1.00 0.00 O +ATOM 3689 H1 WAT A1230 28.814 32.339 6.450 1.00 0.00 H +ATOM 3690 H2 WAT A1230 27.711 32.815 7.372 1.00 0.00 H +ATOM 3691 O1 WAT A1231 20.109 4.797 32.133 1.00 0.00 O +ATOM 3692 H1 WAT A1231 20.477 5.162 32.938 1.00 0.00 H +ATOM 3693 H2 WAT A1231 20.739 4.131 31.861 1.00 0.00 H +ATOM 3694 O1 WAT A1232 14.749 15.311 33.898 1.00 0.00 O +ATOM 3695 H1 WAT A1232 15.645 15.084 33.650 1.00 0.00 H +ATOM 3696 H2 WAT A1232 14.487 15.982 33.268 1.00 0.00 H +ATOM 3697 O1 WAT A1233 27.000 10.190 36.401 1.00 0.00 O +ATOM 3698 H1 WAT A1233 27.797 10.664 36.638 1.00 0.00 H +ATOM 3699 H2 WAT A1233 26.419 10.861 36.044 1.00 0.00 H +ATOM 3700 O1 WAT A1234 34.952 14.223 36.343 1.00 0.00 O +ATOM 3701 H1 WAT A1234 35.576 14.902 36.085 1.00 0.00 H +ATOM 3702 H2 WAT A1234 35.440 13.404 36.263 1.00 0.00 H +ATOM 3703 O1 WAT A1235 5.662 28.110 5.106 1.00 0.00 O +ATOM 3704 H1 WAT A1235 6.210 28.894 5.065 1.00 0.00 H +ATOM 3705 H2 WAT A1235 5.404 27.950 4.199 1.00 0.00 H +ATOM 3706 O1 WAT A1236 4.203 3.631 21.205 1.00 0.00 O +ATOM 3707 H1 WAT A1236 3.616 4.384 21.282 1.00 0.00 H +ATOM 3708 H2 WAT A1236 4.311 3.317 22.102 1.00 0.00 H +ATOM 3709 O1 WAT A1237 18.899 16.120 23.642 1.00 0.00 O +ATOM 3710 H1 WAT A1237 19.808 16.340 23.436 1.00 0.00 H +ATOM 3711 H2 WAT A1237 18.461 16.089 22.792 1.00 0.00 H +ATOM 3712 O1 WAT A1238 19.824 38.403 14.121 1.00 0.00 O +ATOM 3713 H1 WAT A1238 20.746 38.356 14.375 1.00 0.00 H +ATOM 3714 H2 WAT A1238 19.504 37.506 14.213 1.00 0.00 H +ATOM 3715 O1 WAT A1239 0.877 37.906 33.219 1.00 0.00 O +ATOM 3716 H1 WAT A1239 0.908 38.217 34.124 1.00 0.00 H +ATOM 3717 H2 WAT A1239 0.910 36.953 33.291 1.00 0.00 H +ATOM 3718 O1 WAT A1240 37.590 20.526 36.469 1.00 0.00 O +ATOM 3719 H1 WAT A1240 38.075 21.268 36.829 1.00 0.00 H +ATOM 3720 H2 WAT A1240 38.037 19.755 36.816 1.00 0.00 H +ATOM 3721 O1 WAT A1241 15.682 22.571 6.720 1.00 0.00 O +ATOM 3722 H1 WAT A1241 15.372 21.752 7.106 1.00 0.00 H +ATOM 3723 H2 WAT A1241 16.635 22.521 6.782 1.00 0.00 H +ATOM 3724 O1 WAT A1242 17.786 24.908 2.602 1.00 0.00 O +ATOM 3725 H1 WAT A1242 18.684 25.225 2.504 1.00 0.00 H +ATOM 3726 H2 WAT A1242 17.241 25.643 2.325 1.00 0.00 H +ATOM 3727 O1 WAT A1243 32.737 -0.000 35.710 1.00 0.00 O +ATOM 3728 H1 WAT A1243 31.838 0.234 35.943 1.00 0.00 H +ATOM 3729 H2 WAT A1243 33.176 0.839 35.574 1.00 0.00 H +ATOM 3730 O1 WAT A1244 1.299 31.471 3.175 1.00 0.00 O +ATOM 3731 H1 WAT A1244 1.074 30.570 2.941 1.00 0.00 H +ATOM 3732 H2 WAT A1244 0.663 32.008 2.704 1.00 0.00 H +ATOM 3733 O1 WAT A1245 23.440 37.802 21.209 1.00 0.00 O +ATOM 3734 H1 WAT A1245 22.746 38.401 20.931 1.00 0.00 H +ATOM 3735 H2 WAT A1245 23.299 37.013 20.686 1.00 0.00 H +ATOM 3736 O1 WAT A1246 6.326 4.480 17.127 1.00 0.00 O +ATOM 3737 H1 WAT A1246 6.396 3.560 16.872 1.00 0.00 H +ATOM 3738 H2 WAT A1246 6.900 4.943 16.518 1.00 0.00 H +ATOM 3739 O1 WAT A1247 35.279 31.207 35.402 1.00 0.00 O +ATOM 3740 H1 WAT A1247 35.406 30.413 34.882 1.00 0.00 H +ATOM 3741 H2 WAT A1247 34.341 31.386 35.343 1.00 0.00 H +ATOM 3742 O1 WAT A1248 32.908 35.662 26.467 1.00 0.00 O +ATOM 3743 H1 WAT A1248 32.809 34.726 26.640 1.00 0.00 H +ATOM 3744 H2 WAT A1248 32.066 36.043 26.715 1.00 0.00 H +ATOM 3745 O1 WAT A1249 23.515 0.381 13.359 1.00 0.00 O +ATOM 3746 H1 WAT A1249 23.273 0.328 14.283 1.00 0.00 H +ATOM 3747 H2 WAT A1249 23.159 1.219 13.065 1.00 0.00 H +ATOM 3748 O1 WAT A1250 33.884 8.481 27.461 1.00 0.00 O +ATOM 3749 H1 WAT A1250 34.296 7.621 27.544 1.00 0.00 H +ATOM 3750 H2 WAT A1250 34.479 9.077 27.913 1.00 0.00 H +ATOM 3751 O1 WAT A1251 19.485 22.322 18.779 1.00 0.00 O +ATOM 3752 H1 WAT A1251 20.216 21.870 18.356 1.00 0.00 H +ATOM 3753 H2 WAT A1251 19.798 22.508 19.664 1.00 0.00 H +ATOM 3754 O1 WAT A1252 30.777 16.023 35.119 1.00 0.00 O +ATOM 3755 H1 WAT A1252 30.902 16.217 34.190 1.00 0.00 H +ATOM 3756 H2 WAT A1252 31.620 15.673 35.407 1.00 0.00 H +ATOM 3757 O1 WAT A1253 5.193 1.957 2.827 1.00 0.00 O +ATOM 3758 H1 WAT A1253 4.333 1.563 2.681 1.00 0.00 H +ATOM 3759 H2 WAT A1253 5.004 2.808 3.219 1.00 0.00 H +ATOM 3760 O1 WAT A1254 15.060 31.552 28.050 1.00 0.00 O +ATOM 3761 H1 WAT A1254 14.116 31.394 28.040 1.00 0.00 H +ATOM 3762 H2 WAT A1254 15.437 30.785 27.620 1.00 0.00 H +ATOM 3763 O1 WAT A1255 28.501 16.553 10.609 1.00 0.00 O +ATOM 3764 H1 WAT A1255 28.025 15.950 11.181 1.00 0.00 H +ATOM 3765 H2 WAT A1255 29.061 17.054 11.201 1.00 0.00 H +ATOM 3766 O1 WAT A1256 22.746 6.835 13.565 1.00 0.00 O +ATOM 3767 H1 WAT A1256 23.122 6.828 14.445 1.00 0.00 H +ATOM 3768 H2 WAT A1256 23.377 7.325 13.038 1.00 0.00 H +ATOM 3769 O1 WAT A1257 10.084 27.570 15.181 1.00 0.00 O +ATOM 3770 H1 WAT A1257 9.405 27.741 14.528 1.00 0.00 H +ATOM 3771 H2 WAT A1257 9.703 26.907 15.756 1.00 0.00 H +ATOM 3772 O1 WAT A1258 35.837 1.414 2.463 1.00 0.00 O +ATOM 3773 H1 WAT A1258 35.814 0.464 2.582 1.00 0.00 H +ATOM 3774 H2 WAT A1258 35.548 1.551 1.562 1.00 0.00 H +ATOM 3775 O1 WAT A1259 38.015 0.157 37.454 1.00 0.00 O +ATOM 3776 H1 WAT A1259 37.732 0.000 38.355 1.00 0.00 H +ATOM 3777 H2 WAT A1259 37.232 0.003 36.926 1.00 0.00 H +ATOM 3778 O1 WAT A1260 1.934 10.686 12.207 1.00 0.00 O +ATOM 3779 H1 WAT A1260 1.153 11.130 12.538 1.00 0.00 H +ATOM 3780 H2 WAT A1260 2.173 11.175 11.420 1.00 0.00 H +ATOM 3781 O1 WAT A1261 13.547 35.808 4.559 1.00 0.00 O +ATOM 3782 H1 WAT A1261 13.196 36.149 3.736 1.00 0.00 H +ATOM 3783 H2 WAT A1261 14.421 35.489 4.334 1.00 0.00 H +ATOM 3784 O1 WAT A1262 12.444 16.165 35.310 1.00 0.00 O +ATOM 3785 H1 WAT A1262 13.364 16.427 35.288 1.00 0.00 H +ATOM 3786 H2 WAT A1262 11.984 16.862 34.843 1.00 0.00 H +ATOM 3787 O1 WAT A1263 11.407 3.980 27.139 1.00 0.00 O +ATOM 3788 H1 WAT A1263 12.104 4.510 26.751 1.00 0.00 H +ATOM 3789 H2 WAT A1263 11.048 4.529 27.836 1.00 0.00 H +ATOM 3790 O1 WAT A1264 23.404 5.358 11.678 1.00 0.00 O +ATOM 3791 H1 WAT A1264 22.673 5.644 11.129 1.00 0.00 H +ATOM 3792 H2 WAT A1264 24.113 5.966 11.470 1.00 0.00 H +ATOM 3793 O1 WAT A1265 7.820 24.817 0.450 1.00 0.00 O +ATOM 3794 H1 WAT A1265 7.889 25.725 0.154 1.00 0.00 H +ATOM 3795 H2 WAT A1265 8.545 24.368 0.016 1.00 0.00 H +ATOM 3796 O1 WAT A1266 2.992 12.531 23.848 1.00 0.00 O +ATOM 3797 H1 WAT A1266 3.757 13.052 23.606 1.00 0.00 H +ATOM 3798 H2 WAT A1266 2.457 13.121 24.378 1.00 0.00 H +ATOM 3799 O1 WAT A1267 34.485 10.067 9.373 1.00 0.00 O +ATOM 3800 H1 WAT A1267 33.579 10.052 9.682 1.00 0.00 H +ATOM 3801 H2 WAT A1267 34.882 10.809 9.827 1.00 0.00 H +ATOM 3802 O1 WAT A1268 34.528 12.534 30.248 1.00 0.00 O +ATOM 3803 H1 WAT A1268 33.626 12.732 30.498 1.00 0.00 H +ATOM 3804 H2 WAT A1268 34.449 12.039 29.434 1.00 0.00 H +ATOM 3805 O1 WAT A1269 25.790 24.740 37.375 1.00 0.00 O +ATOM 3806 H1 WAT A1269 25.242 24.670 38.157 1.00 0.00 H +ATOM 3807 H2 WAT A1269 26.634 25.051 37.700 1.00 0.00 H +ATOM 3808 O1 WAT A1270 21.078 12.802 23.002 1.00 0.00 O +ATOM 3809 H1 WAT A1270 20.924 13.490 23.649 1.00 0.00 H +ATOM 3810 H2 WAT A1270 21.141 11.998 23.516 1.00 0.00 H +ATOM 3811 O1 WAT A1271 35.303 21.323 6.895 1.00 0.00 O +ATOM 3812 H1 WAT A1271 36.162 21.549 7.252 1.00 0.00 H +ATOM 3813 H2 WAT A1271 35.178 20.405 7.134 1.00 0.00 H +ATOM 3814 O1 WAT A1272 4.043 22.778 15.562 1.00 0.00 O +ATOM 3815 H1 WAT A1272 4.054 22.677 14.610 1.00 0.00 H +ATOM 3816 H2 WAT A1272 3.906 23.715 15.703 1.00 0.00 H +ATOM 3817 O1 WAT A1273 37.327 15.169 38.212 1.00 0.00 O +ATOM 3818 H1 WAT A1273 37.504 14.276 37.917 1.00 0.00 H +ATOM 3819 H2 WAT A1273 36.389 15.178 38.400 1.00 0.00 H +ATOM 3820 O1 WAT A1274 5.602 10.535 19.431 1.00 0.00 O +ATOM 3821 H1 WAT A1274 5.940 11.271 19.942 1.00 0.00 H +ATOM 3822 H2 WAT A1274 5.176 10.941 18.677 1.00 0.00 H +ATOM 3823 O1 WAT A1275 3.246 34.040 0.250 1.00 0.00 O +ATOM 3824 H1 WAT A1275 2.379 34.358 0.000 1.00 0.00 H +ATOM 3825 H2 WAT A1275 3.120 33.652 1.115 1.00 0.00 H +ATOM 3826 O1 WAT A1276 22.148 37.177 8.293 1.00 0.00 O +ATOM 3827 H1 WAT A1276 22.233 36.361 7.800 1.00 0.00 H +ATOM 3828 H2 WAT A1276 22.901 37.702 8.021 1.00 0.00 H +ATOM 3829 O1 WAT A1277 35.622 6.535 23.992 1.00 0.00 O +ATOM 3830 H1 WAT A1277 34.883 5.932 24.066 1.00 0.00 H +ATOM 3831 H2 WAT A1277 36.326 6.008 23.615 1.00 0.00 H +ATOM 3832 O1 WAT A1278 6.115 0.584 8.051 1.00 0.00 O +ATOM 3833 H1 WAT A1278 5.599 0.002 8.609 1.00 0.00 H +ATOM 3834 H2 WAT A1278 6.793 0.021 7.678 1.00 0.00 H +ATOM 3835 O1 WAT A1279 30.488 21.708 9.697 1.00 0.00 O +ATOM 3836 H1 WAT A1279 30.528 22.665 9.690 1.00 0.00 H +ATOM 3837 H2 WAT A1279 30.675 21.466 10.603 1.00 0.00 H +ATOM 3838 O1 WAT A1280 32.706 7.927 23.289 1.00 0.00 O +ATOM 3839 H1 WAT A1280 33.347 8.337 22.709 1.00 0.00 H +ATOM 3840 H2 WAT A1280 33.085 7.074 23.501 1.00 0.00 H +ATOM 3841 O1 WAT A1281 18.598 19.522 32.298 1.00 0.00 O +ATOM 3842 H1 WAT A1281 18.437 20.122 31.570 1.00 0.00 H +ATOM 3843 H2 WAT A1281 18.088 18.742 32.084 1.00 0.00 H +ATOM 3844 O1 WAT A1282 0.799 2.076 11.264 1.00 0.00 O +ATOM 3845 H1 WAT A1282 0.617 1.137 11.297 1.00 0.00 H +ATOM 3846 H2 WAT A1282 0.000 2.488 11.593 1.00 0.00 H +ATOM 3847 O1 WAT A1283 5.269 10.318 34.497 1.00 0.00 O +ATOM 3848 H1 WAT A1283 6.016 9.851 34.872 1.00 0.00 H +ATOM 3849 H2 WAT A1283 4.508 9.963 34.956 1.00 0.00 H +ATOM 3850 O1 WAT A1284 12.588 11.100 20.390 1.00 0.00 O +ATOM 3851 H1 WAT A1284 11.847 10.983 20.986 1.00 0.00 H +ATOM 3852 H2 WAT A1284 12.688 12.048 20.313 1.00 0.00 H +ATOM 3853 O1 WAT A1285 28.549 27.423 8.510 1.00 0.00 O +ATOM 3854 H1 WAT A1285 28.750 26.593 8.078 1.00 0.00 H +ATOM 3855 H2 WAT A1285 29.402 27.771 8.770 1.00 0.00 H +ATOM 3856 O1 WAT A1286 17.778 28.320 37.626 1.00 0.00 O +ATOM 3857 H1 WAT A1286 18.354 29.007 37.963 1.00 0.00 H +ATOM 3858 H2 WAT A1286 17.334 27.977 38.400 1.00 0.00 H +ATOM 3859 O1 WAT A1287 13.803 28.875 28.690 1.00 0.00 O +ATOM 3860 H1 WAT A1287 13.259 29.424 29.255 1.00 0.00 H +ATOM 3861 H2 WAT A1287 14.701 29.100 28.930 1.00 0.00 H +ATOM 3862 O1 WAT A1288 3.513 36.556 18.863 1.00 0.00 O +ATOM 3863 H1 WAT A1288 3.107 37.413 18.731 1.00 0.00 H +ATOM 3864 H2 WAT A1288 2.796 35.931 18.756 1.00 0.00 H +ATOM 3865 O1 WAT A1289 11.011 19.560 30.343 1.00 0.00 O +ATOM 3866 H1 WAT A1289 10.089 19.814 30.300 1.00 0.00 H +ATOM 3867 H2 WAT A1289 11.437 20.280 30.807 1.00 0.00 H +ATOM 3868 O1 WAT A1290 30.872 5.337 30.112 1.00 0.00 O +ATOM 3869 H1 WAT A1290 30.174 5.971 30.280 1.00 0.00 H +ATOM 3870 H2 WAT A1290 31.161 5.062 30.982 1.00 0.00 H +ATOM 3871 O1 WAT A1291 26.642 32.295 24.794 1.00 0.00 O +ATOM 3872 H1 WAT A1291 25.728 32.015 24.856 1.00 0.00 H +ATOM 3873 H2 WAT A1291 26.960 31.897 23.984 1.00 0.00 H +ATOM 3874 O1 WAT A1292 22.477 6.929 24.478 1.00 0.00 O +ATOM 3875 H1 WAT A1292 22.254 7.786 24.842 1.00 0.00 H +ATOM 3876 H2 WAT A1292 21.858 6.805 23.759 1.00 0.00 H +ATOM 3877 O1 WAT A1293 15.068 1.433 31.577 1.00 0.00 O +ATOM 3878 H1 WAT A1293 15.111 2.385 31.666 1.00 0.00 H +ATOM 3879 H2 WAT A1293 15.836 1.113 32.050 1.00 0.00 H +ATOM 3880 O1 WAT A1294 3.398 37.428 28.083 1.00 0.00 O +ATOM 3881 H1 WAT A1294 3.325 36.494 28.283 1.00 0.00 H +ATOM 3882 H2 WAT A1294 4.210 37.701 28.509 1.00 0.00 H +ATOM 3883 O1 WAT A1295 32.225 5.630 16.521 1.00 0.00 O +ATOM 3884 H1 WAT A1295 33.180 5.635 16.575 1.00 0.00 H +ATOM 3885 H2 WAT A1295 31.970 4.765 16.841 1.00 0.00 H +ATOM 3886 O1 WAT A1296 29.530 21.411 38.168 1.00 0.00 O +ATOM 3887 H1 WAT A1296 28.714 21.883 38.332 1.00 0.00 H +ATOM 3888 H2 WAT A1296 29.254 20.516 37.970 1.00 0.00 H +ATOM 3889 O1 WAT A1297 20.542 7.874 30.087 1.00 0.00 O +ATOM 3890 H1 WAT A1297 20.662 7.328 29.309 1.00 0.00 H +ATOM 3891 H2 WAT A1297 20.806 7.314 30.816 1.00 0.00 H +ATOM 3892 O1 WAT A1298 21.230 10.781 38.400 1.00 0.00 O +ATOM 3893 H1 WAT A1298 20.342 11.133 38.332 1.00 0.00 H +ATOM 3894 H2 WAT A1298 21.164 9.892 38.054 1.00 0.00 H +ATOM 3895 O1 WAT A1299 24.374 20.981 28.980 1.00 0.00 O +ATOM 3896 H1 WAT A1299 23.519 20.887 28.561 1.00 0.00 H +ATOM 3897 H2 WAT A1299 25.004 20.815 28.279 1.00 0.00 H +ATOM 3898 O1 WAT A1300 37.161 8.287 21.734 1.00 0.00 O +ATOM 3899 H1 WAT A1300 37.988 8.751 21.865 1.00 0.00 H +ATOM 3900 H2 WAT A1300 37.232 7.509 22.287 1.00 0.00 H +ATOM 3901 O1 WAT A1301 25.083 3.981 12.003 1.00 0.00 O +ATOM 3902 H1 WAT A1301 24.849 3.120 12.351 1.00 0.00 H +ATOM 3903 H2 WAT A1301 25.938 3.850 11.594 1.00 0.00 H +ATOM 3904 O1 WAT A1302 33.629 29.927 27.672 1.00 0.00 O +ATOM 3905 H1 WAT A1302 33.402 29.079 27.290 1.00 0.00 H +ATOM 3906 H2 WAT A1302 33.108 29.977 28.473 1.00 0.00 H +ATOM 3907 O1 WAT A1303 23.592 5.618 17.841 1.00 0.00 O +ATOM 3908 H1 WAT A1303 23.198 4.745 17.837 1.00 0.00 H +ATOM 3909 H2 WAT A1303 23.512 5.922 16.938 1.00 0.00 H +ATOM 3910 O1 WAT A1304 13.688 23.686 10.704 1.00 0.00 O +ATOM 3911 H1 WAT A1304 14.558 24.008 10.940 1.00 0.00 H +ATOM 3912 H2 WAT A1304 13.773 22.733 10.716 1.00 0.00 H +ATOM 3913 O1 WAT A1305 -0.001 12.695 2.589 1.00 0.00 O +ATOM 3914 H1 WAT A1305 0.599 13.441 2.609 1.00 0.00 H +ATOM 3915 H2 WAT A1305 0.551 11.937 2.778 1.00 0.00 H +ATOM 3916 O1 WAT A1306 7.184 25.941 28.059 1.00 0.00 O +ATOM 3917 H1 WAT A1306 7.608 26.797 27.988 1.00 0.00 H +ATOM 3918 H2 WAT A1306 6.291 26.089 27.749 1.00 0.00 H +ATOM 3919 O1 WAT A1307 15.175 9.735 7.619 1.00 0.00 O +ATOM 3920 H1 WAT A1307 14.959 9.062 6.972 1.00 0.00 H +ATOM 3921 H2 WAT A1307 16.101 9.592 7.813 1.00 0.00 H +ATOM 3922 O1 WAT A1308 15.711 19.118 31.565 1.00 0.00 O +ATOM 3923 H1 WAT A1308 15.118 19.335 30.846 1.00 0.00 H +ATOM 3924 H2 WAT A1308 16.251 19.900 31.675 1.00 0.00 H +ATOM 3925 O1 WAT A1309 32.341 33.773 0.341 1.00 0.00 O +ATOM 3926 H1 WAT A1309 31.478 34.007 0.000 1.00 0.00 H +ATOM 3927 H2 WAT A1309 32.470 32.866 0.065 1.00 0.00 H +ATOM 3928 O1 WAT A1310 31.178 14.902 8.355 1.00 0.00 O +ATOM 3929 H1 WAT A1310 30.460 14.281 8.234 1.00 0.00 H +ATOM 3930 H2 WAT A1310 31.943 14.459 7.988 1.00 0.00 H +ATOM 3931 O1 WAT A1311 11.145 2.883 14.333 1.00 0.00 O +ATOM 3932 H1 WAT A1311 10.299 2.899 14.781 1.00 0.00 H +ATOM 3933 H2 WAT A1311 10.952 2.522 13.468 1.00 0.00 H +ATOM 3934 O1 WAT A1312 13.959 31.775 7.259 1.00 0.00 O +ATOM 3935 H1 WAT A1312 14.252 32.679 7.139 1.00 0.00 H +ATOM 3936 H2 WAT A1312 13.004 31.830 7.255 1.00 0.00 H +ATOM 3937 O1 WAT A1313 34.461 2.494 38.053 1.00 0.00 O +ATOM 3938 H1 WAT A1313 34.770 1.588 38.077 1.00 0.00 H +ATOM 3939 H2 WAT A1313 33.570 2.453 38.400 1.00 0.00 H +ATOM 3940 O1 WAT A1314 16.819 16.924 34.376 1.00 0.00 O +ATOM 3941 H1 WAT A1314 16.140 16.863 35.049 1.00 0.00 H +ATOM 3942 H2 WAT A1314 16.393 17.369 33.645 1.00 0.00 H +ATOM 3943 O1 WAT A1315 35.413 33.489 28.647 1.00 0.00 O +ATOM 3944 H1 WAT A1315 34.529 33.855 28.677 1.00 0.00 H +ATOM 3945 H2 WAT A1315 35.978 34.198 28.953 1.00 0.00 H +ATOM 3946 O1 WAT A1316 33.367 11.673 19.355 1.00 0.00 O +ATOM 3947 H1 WAT A1316 32.588 12.055 18.951 1.00 0.00 H +ATOM 3948 H2 WAT A1316 33.116 10.771 19.554 1.00 0.00 H +ATOM 3949 O1 WAT A1317 26.822 14.710 19.040 1.00 0.00 O +ATOM 3950 H1 WAT A1317 26.546 15.574 18.735 1.00 0.00 H +ATOM 3951 H2 WAT A1317 26.307 14.095 18.518 1.00 0.00 H +ATOM 3952 O1 WAT A1318 32.214 4.651 24.663 1.00 0.00 O +ATOM 3953 H1 WAT A1318 31.387 4.251 24.394 1.00 0.00 H +ATOM 3954 H2 WAT A1318 31.986 5.189 25.420 1.00 0.00 H +ATOM 3955 O1 WAT A1319 34.843 20.192 34.294 1.00 0.00 O +ATOM 3956 H1 WAT A1319 35.405 19.421 34.373 1.00 0.00 H +ATOM 3957 H2 WAT A1319 35.358 20.813 33.781 1.00 0.00 H +ATOM 3958 O1 WAT A1320 23.196 37.898 18.090 1.00 0.00 O +ATOM 3959 H1 WAT A1320 23.394 36.989 18.317 1.00 0.00 H +ATOM 3960 H2 WAT A1320 23.473 38.402 18.855 1.00 0.00 H +ATOM 3961 O1 WAT A1321 15.838 31.858 15.970 1.00 0.00 O +ATOM 3962 H1 WAT A1321 15.960 31.265 15.229 1.00 0.00 H +ATOM 3963 H2 WAT A1321 15.459 32.648 15.586 1.00 0.00 H +ATOM 3964 O1 WAT A1322 28.068 0.002 10.568 1.00 0.00 O +ATOM 3965 H1 WAT A1322 28.662 0.733 10.396 1.00 0.00 H +ATOM 3966 H2 WAT A1322 27.606 0.252 11.368 1.00 0.00 H +ATOM 3967 O1 WAT A1323 16.125 25.166 38.403 1.00 0.00 O +ATOM 3968 H1 WAT A1323 16.178 26.113 38.269 1.00 0.00 H +ATOM 3969 H2 WAT A1323 15.209 24.950 38.232 1.00 0.00 H +ATOM 3970 O1 WAT A1324 16.234 22.258 14.686 1.00 0.00 O +ATOM 3971 H1 WAT A1324 15.955 22.755 13.916 1.00 0.00 H +ATOM 3972 H2 WAT A1324 15.458 22.224 15.244 1.00 0.00 H +ATOM 3973 O1 WAT A1325 13.404 28.759 9.082 1.00 0.00 O +ATOM 3974 H1 WAT A1325 12.672 29.334 9.309 1.00 0.00 H +ATOM 3975 H2 WAT A1325 14.179 29.315 9.161 1.00 0.00 H +ATOM 3976 O1 WAT A1326 24.320 10.210 22.335 1.00 0.00 O +ATOM 3977 H1 WAT A1326 25.183 9.857 22.116 1.00 0.00 H +ATOM 3978 H2 WAT A1326 24.491 11.109 22.614 1.00 0.00 H +ATOM 3979 O1 WAT A1327 18.632 23.176 12.370 1.00 0.00 O +ATOM 3980 H1 WAT A1327 19.555 23.234 12.620 1.00 0.00 H +ATOM 3981 H2 WAT A1327 18.506 23.893 11.748 1.00 0.00 H +ATOM 3982 O1 WAT A1328 37.346 36.313 1.953 1.00 0.00 O +ATOM 3983 H1 WAT A1328 38.148 35.879 2.244 1.00 0.00 H +ATOM 3984 H2 WAT A1328 37.313 36.149 1.011 1.00 0.00 H +ATOM 3985 O1 WAT A1329 9.446 12.286 28.760 1.00 0.00 O +ATOM 3986 H1 WAT A1329 10.210 12.840 28.919 1.00 0.00 H +ATOM 3987 H2 WAT A1329 9.779 11.392 28.831 1.00 0.00 H +ATOM 3988 O1 WAT A1330 18.588 35.450 24.373 1.00 0.00 O +ATOM 3989 H1 WAT A1330 19.073 35.576 25.189 1.00 0.00 H +ATOM 3990 H2 WAT A1330 19.262 35.411 23.695 1.00 0.00 H +ATOM 3991 O1 WAT A1331 30.991 26.479 5.860 1.00 0.00 O +ATOM 3992 H1 WAT A1331 30.617 27.359 5.923 1.00 0.00 H +ATOM 3993 H2 WAT A1331 31.282 26.406 4.952 1.00 0.00 H +ATOM 3994 O1 WAT A1332 12.770 32.774 12.927 1.00 0.00 O +ATOM 3995 H1 WAT A1332 12.901 33.660 13.264 1.00 0.00 H +ATOM 3996 H2 WAT A1332 13.562 32.588 12.424 1.00 0.00 H +ATOM 3997 O1 WAT A1333 28.294 31.831 10.805 1.00 0.00 O +ATOM 3998 H1 WAT A1333 27.812 31.199 10.270 1.00 0.00 H +ATOM 3999 H2 WAT A1333 28.046 31.624 11.705 1.00 0.00 H +ATOM 4000 O1 WAT A1334 14.775 25.041 15.269 1.00 0.00 O +ATOM 4001 H1 WAT A1334 14.160 24.428 14.866 1.00 0.00 H +ATOM 4002 H2 WAT A1334 14.262 25.491 15.940 1.00 0.00 H +ATOM 4003 O1 WAT A1335 16.049 33.154 23.649 1.00 0.00 O +ATOM 4004 H1 WAT A1335 15.360 33.651 24.090 1.00 0.00 H +ATOM 4005 H2 WAT A1335 16.281 32.463 24.269 1.00 0.00 H +ATOM 4006 O1 WAT A1336 26.227 4.005 3.232 1.00 0.00 O +ATOM 4007 H1 WAT A1336 25.889 4.881 3.046 1.00 0.00 H +ATOM 4008 H2 WAT A1336 26.462 4.030 4.159 1.00 0.00 H +ATOM 4009 O1 WAT A1337 35.165 3.778 22.695 1.00 0.00 O +ATOM 4010 H1 WAT A1337 35.751 3.891 23.444 1.00 0.00 H +ATOM 4011 H2 WAT A1337 34.286 3.858 23.063 1.00 0.00 H +ATOM 4012 O1 WAT A1338 25.815 10.161 11.899 1.00 0.00 O +ATOM 4013 H1 WAT A1338 26.135 10.786 11.249 1.00 0.00 H +ATOM 4014 H2 WAT A1338 25.580 10.699 12.655 1.00 0.00 H +ATOM 4015 O1 WAT A1339 14.370 25.655 21.946 1.00 0.00 O +ATOM 4016 H1 WAT A1339 13.862 24.849 21.850 1.00 0.00 H +ATOM 4017 H2 WAT A1339 13.733 26.307 22.234 1.00 0.00 H +ATOM 4018 O1 WAT A1340 34.890 26.940 12.731 1.00 0.00 O +ATOM 4019 H1 WAT A1340 33.949 26.761 12.712 1.00 0.00 H +ATOM 4020 H2 WAT A1340 35.001 27.566 13.445 1.00 0.00 H +ATOM 4021 O1 WAT A1341 3.303 7.848 24.564 1.00 0.00 O +ATOM 4022 H1 WAT A1341 3.903 8.167 25.239 1.00 0.00 H +ATOM 4023 H2 WAT A1341 2.494 8.336 24.711 1.00 0.00 H +ATOM 4024 O1 WAT A1342 0.873 16.367 27.114 1.00 0.00 O +ATOM 4025 H1 WAT A1342 0.002 16.729 27.273 1.00 0.00 H +ATOM 4026 H2 WAT A1342 0.899 15.564 27.634 1.00 0.00 H +ATOM 4027 O1 WAT A1343 15.118 24.084 1.047 1.00 0.00 O +ATOM 4028 H1 WAT A1343 15.297 24.980 0.760 1.00 0.00 H +ATOM 4029 H2 WAT A1343 14.194 23.946 0.844 1.00 0.00 H +ATOM 4030 O1 WAT A1344 17.039 20.134 28.263 1.00 0.00 O +ATOM 4031 H1 WAT A1344 17.920 19.884 28.542 1.00 0.00 H +ATOM 4032 H2 WAT A1344 16.490 19.389 28.505 1.00 0.00 H +ATOM 4033 O1 WAT A1345 4.724 34.356 9.792 1.00 0.00 O +ATOM 4034 H1 WAT A1345 4.730 35.265 10.090 1.00 0.00 H +ATOM 4035 H2 WAT A1345 4.163 33.901 10.419 1.00 0.00 H +ATOM 4036 O1 WAT A1346 27.284 21.312 22.873 1.00 0.00 O +ATOM 4037 H1 WAT A1346 27.522 21.947 23.548 1.00 0.00 H +ATOM 4038 H2 WAT A1346 27.758 21.600 22.094 1.00 0.00 H +ATOM 4039 O1 WAT A1347 24.841 32.042 22.428 1.00 0.00 O +ATOM 4040 H1 WAT A1347 25.332 32.651 21.877 1.00 0.00 H +ATOM 4041 H2 WAT A1347 25.206 31.182 22.222 1.00 0.00 H +ATOM 4042 O1 WAT A1348 18.875 27.577 20.634 1.00 0.00 O +ATOM 4043 H1 WAT A1348 19.707 27.575 20.161 1.00 0.00 H +ATOM 4044 H2 WAT A1348 18.937 26.834 21.233 1.00 0.00 H +ATOM 4045 O1 WAT A1349 19.672 14.301 20.605 1.00 0.00 O +ATOM 4046 H1 WAT A1349 19.410 15.092 21.076 1.00 0.00 H +ATOM 4047 H2 WAT A1349 20.163 14.622 19.850 1.00 0.00 H +ATOM 4048 O1 WAT A1350 11.454 2.139 34.994 1.00 0.00 O +ATOM 4049 H1 WAT A1350 11.585 2.936 34.480 1.00 0.00 H +ATOM 4050 H2 WAT A1350 11.040 1.527 34.386 1.00 0.00 H +ATOM 4051 O1 WAT A1351 18.532 22.077 22.689 1.00 0.00 O +ATOM 4052 H1 WAT A1351 18.619 21.695 23.562 1.00 0.00 H +ATOM 4053 H2 WAT A1351 17.640 21.861 22.419 1.00 0.00 H +ATOM 4054 O1 WAT A1352 26.398 12.362 29.735 1.00 0.00 O +ATOM 4055 H1 WAT A1352 26.144 11.444 29.828 1.00 0.00 H +ATOM 4056 H2 WAT A1352 25.570 12.836 29.668 1.00 0.00 H +ATOM 4057 O1 WAT A1353 28.380 16.749 2.764 1.00 0.00 O +ATOM 4058 H1 WAT A1353 29.179 17.229 2.545 1.00 0.00 H +ATOM 4059 H2 WAT A1353 28.669 16.063 3.364 1.00 0.00 H +ATOM 4060 O1 WAT A1354 25.093 29.168 12.761 1.00 0.00 O +ATOM 4061 H1 WAT A1354 25.308 30.076 12.975 1.00 0.00 H +ATOM 4062 H2 WAT A1354 24.276 29.225 12.267 1.00 0.00 H +ATOM 4063 O1 WAT A1355 29.712 9.530 13.430 1.00 0.00 O +ATOM 4064 H1 WAT A1355 28.892 9.535 12.935 1.00 0.00 H +ATOM 4065 H2 WAT A1355 29.731 10.379 13.871 1.00 0.00 H +ATOM 4066 O1 WAT A1356 30.426 22.402 15.023 1.00 0.00 O +ATOM 4067 H1 WAT A1356 30.252 22.633 15.936 1.00 0.00 H +ATOM 4068 H2 WAT A1356 29.610 22.602 14.565 1.00 0.00 H +ATOM 4069 O1 WAT A1357 13.404 13.379 8.279 1.00 0.00 O +ATOM 4070 H1 WAT A1357 14.293 13.718 8.168 1.00 0.00 H +ATOM 4071 H2 WAT A1357 13.509 12.429 8.289 1.00 0.00 H +ATOM 4072 O1 WAT A1358 30.924 3.366 32.376 1.00 0.00 O +ATOM 4073 H1 WAT A1358 31.004 4.119 32.963 1.00 0.00 H +ATOM 4074 H2 WAT A1358 30.131 2.917 32.668 1.00 0.00 H +ATOM 4075 O1 WAT A1359 21.739 36.963 34.482 1.00 0.00 O +ATOM 4076 H1 WAT A1359 21.550 37.860 34.758 1.00 0.00 H +ATOM 4077 H2 WAT A1359 20.951 36.684 34.017 1.00 0.00 H +ATOM 4078 O1 WAT A1360 16.417 4.397 24.963 1.00 0.00 O +ATOM 4079 H1 WAT A1360 16.997 4.029 25.630 1.00 0.00 H +ATOM 4080 H2 WAT A1360 16.747 5.283 24.819 1.00 0.00 H +ATOM 4081 O1 WAT A1361 9.494 33.123 30.625 1.00 0.00 O +ATOM 4082 H1 WAT A1361 8.959 33.916 30.682 1.00 0.00 H +ATOM 4083 H2 WAT A1361 8.905 32.463 30.260 1.00 0.00 H +ATOM 4084 O1 WAT A1362 25.544 7.505 35.202 1.00 0.00 O +ATOM 4085 H1 WAT A1362 26.029 8.095 35.779 1.00 0.00 H +ATOM 4086 H2 WAT A1362 25.064 6.928 35.795 1.00 0.00 H +ATOM 4087 O1 WAT A1363 34.137 9.110 37.092 1.00 0.00 O +ATOM 4088 H1 WAT A1363 35.068 9.311 37.183 1.00 0.00 H +ATOM 4089 H2 WAT A1363 34.064 8.191 37.347 1.00 0.00 H +ATOM 4090 O1 WAT A1364 21.066 0.581 31.979 1.00 0.00 O +ATOM 4091 H1 WAT A1364 20.897 0.000 31.238 1.00 0.00 H +ATOM 4092 H2 WAT A1364 21.088 0.001 32.739 1.00 0.00 H +ATOM 4093 O1 WAT A1365 20.097 16.075 4.990 1.00 0.00 O +ATOM 4094 H1 WAT A1365 20.468 15.241 5.278 1.00 0.00 H +ATOM 4095 H2 WAT A1365 19.342 16.212 5.562 1.00 0.00 H +ATOM 4096 O1 WAT A1366 33.348 20.217 32.681 1.00 0.00 O +ATOM 4097 H1 WAT A1366 33.447 20.995 32.133 1.00 0.00 H +ATOM 4098 H2 WAT A1366 32.619 19.738 32.287 1.00 0.00 H +ATOM 4099 O1 WAT A1367 8.723 10.929 19.760 1.00 0.00 O +ATOM 4100 H1 WAT A1367 8.004 10.366 19.473 1.00 0.00 H +ATOM 4101 H2 WAT A1367 8.627 10.976 20.711 1.00 0.00 H +ATOM 4102 O1 WAT A1368 19.485 15.348 2.781 1.00 0.00 O +ATOM 4103 H1 WAT A1368 19.284 15.613 1.884 1.00 0.00 H +ATOM 4104 H2 WAT A1368 19.713 14.422 2.713 1.00 0.00 H +ATOM 4105 O1 WAT A1369 13.637 16.213 21.877 1.00 0.00 O +ATOM 4106 H1 WAT A1369 13.037 15.568 22.252 1.00 0.00 H +ATOM 4107 H2 WAT A1369 13.392 17.039 22.292 1.00 0.00 H +ATOM 4108 O1 WAT A1370 8.988 14.496 11.315 1.00 0.00 O +ATOM 4109 H1 WAT A1370 8.582 14.546 10.450 1.00 0.00 H +ATOM 4110 H2 WAT A1370 8.256 14.368 11.918 1.00 0.00 H +ATOM 4111 O1 WAT A1371 31.419 37.820 36.440 1.00 0.00 O +ATOM 4112 H1 WAT A1371 31.994 38.400 35.940 1.00 0.00 H +ATOM 4113 H2 WAT A1371 30.750 38.400 36.803 1.00 0.00 H +ATOM 4114 O1 WAT A1372 29.319 26.042 36.569 1.00 0.00 O +ATOM 4115 H1 WAT A1372 29.391 26.850 36.062 1.00 0.00 H +ATOM 4116 H2 WAT A1372 30.220 25.821 36.801 1.00 0.00 H +ATOM 4117 O1 WAT A1373 24.452 5.643 32.407 1.00 0.00 O +ATOM 4118 H1 WAT A1373 23.512 5.782 32.527 1.00 0.00 H +ATOM 4119 H2 WAT A1373 24.864 6.378 32.859 1.00 0.00 H +ATOM 4120 O1 WAT A1374 22.198 16.485 26.417 1.00 0.00 O +ATOM 4121 H1 WAT A1374 22.761 17.158 26.799 1.00 0.00 H +ATOM 4122 H2 WAT A1374 22.620 15.658 26.649 1.00 0.00 H +ATOM 4123 O1 WAT A1375 28.357 29.667 34.665 1.00 0.00 O +ATOM 4124 H1 WAT A1375 27.603 30.203 34.910 1.00 0.00 H +ATOM 4125 H2 WAT A1375 28.051 29.144 33.926 1.00 0.00 H +ATOM 4126 O1 WAT A1376 4.729 13.875 5.226 1.00 0.00 O +ATOM 4127 H1 WAT A1376 5.680 13.984 5.199 1.00 0.00 H +ATOM 4128 H2 WAT A1376 4.383 14.700 4.886 1.00 0.00 H +ATOM 4129 O1 WAT A1377 26.244 14.301 35.516 1.00 0.00 O +ATOM 4130 H1 WAT A1377 25.977 13.506 35.054 1.00 0.00 H +ATOM 4131 H2 WAT A1377 25.468 14.564 36.010 1.00 0.00 H +ATOM 4132 O1 WAT A1378 22.919 27.902 6.665 1.00 0.00 O +ATOM 4133 H1 WAT A1378 23.260 27.010 6.596 1.00 0.00 H +ATOM 4134 H2 WAT A1378 23.636 28.458 6.362 1.00 0.00 H +ATOM 4135 O1 WAT A1379 6.267 7.072 11.475 1.00 0.00 O +ATOM 4136 H1 WAT A1379 6.167 7.898 11.950 1.00 0.00 H +ATOM 4137 H2 WAT A1379 5.417 6.929 11.061 1.00 0.00 H +ATOM 4138 O1 WAT A1380 26.787 5.427 27.419 1.00 0.00 O +ATOM 4139 H1 WAT A1380 26.448 4.727 26.859 1.00 0.00 H +ATOM 4140 H2 WAT A1380 27.433 4.997 27.978 1.00 0.00 H +ATOM 4141 O1 WAT A1381 1.982 22.080 36.817 1.00 0.00 O +ATOM 4142 H1 WAT A1381 1.655 21.204 37.020 1.00 0.00 H +ATOM 4143 H2 WAT A1381 2.903 21.948 36.595 1.00 0.00 H +ATOM 4144 O1 WAT A1382 15.910 22.460 19.905 1.00 0.00 O +ATOM 4145 H1 WAT A1382 14.994 22.242 19.731 1.00 0.00 H +ATOM 4146 H2 WAT A1382 16.192 22.948 19.132 1.00 0.00 H +ATOM 4147 O1 WAT A1383 7.157 30.948 31.296 1.00 0.00 O +ATOM 4148 H1 WAT A1383 6.921 31.586 30.622 1.00 0.00 H +ATOM 4149 H2 WAT A1383 7.128 31.442 32.115 1.00 0.00 H +ATOM 4150 O1 WAT A1384 7.676 18.759 6.920 1.00 0.00 O +ATOM 4151 H1 WAT A1384 7.186 17.955 7.094 1.00 0.00 H +ATOM 4152 H2 WAT A1384 7.828 18.747 5.975 1.00 0.00 H +ATOM 4153 O1 WAT A1385 36.318 24.297 14.909 1.00 0.00 O +ATOM 4154 H1 WAT A1385 36.013 23.951 15.748 1.00 0.00 H +ATOM 4155 H2 WAT A1385 36.164 23.588 14.286 1.00 0.00 H +ATOM 4156 O1 WAT A1386 2.394 23.778 34.906 1.00 0.00 O +ATOM 4157 H1 WAT A1386 1.530 24.170 35.030 1.00 0.00 H +ATOM 4158 H2 WAT A1386 2.223 22.962 34.437 1.00 0.00 H +ATOM 4159 O1 WAT A1387 10.439 37.071 17.052 1.00 0.00 O +ATOM 4160 H1 WAT A1387 9.877 36.470 17.541 1.00 0.00 H +ATOM 4161 H2 WAT A1387 10.703 36.577 16.277 1.00 0.00 H +ATOM 4162 O1 WAT A1388 0.645 18.625 4.852 1.00 0.00 O +ATOM 4163 H1 WAT A1388 1.515 19.018 4.916 1.00 0.00 H +ATOM 4164 H2 WAT A1388 0.133 19.254 4.345 1.00 0.00 H +ATOM 4165 O1 WAT A1389 15.656 21.132 11.798 1.00 0.00 O +ATOM 4166 H1 WAT A1389 14.816 20.869 11.421 1.00 0.00 H +ATOM 4167 H2 WAT A1389 15.679 22.083 11.694 1.00 0.00 H +ATOM 4168 O1 WAT A1390 22.424 38.057 23.163 1.00 0.00 O +ATOM 4169 H1 WAT A1390 22.690 38.410 24.012 1.00 0.00 H +ATOM 4170 H2 WAT A1390 21.890 37.292 23.377 1.00 0.00 H +ATOM 4171 O1 WAT A1391 3.962 18.605 22.668 1.00 0.00 O +ATOM 4172 H1 WAT A1391 4.545 17.910 22.362 1.00 0.00 H +ATOM 4173 H2 WAT A1391 4.466 19.410 22.553 1.00 0.00 H +ATOM 4174 O1 WAT A1392 11.788 33.940 36.181 1.00 0.00 O +ATOM 4175 H1 WAT A1392 12.657 33.637 36.445 1.00 0.00 H +ATOM 4176 H2 WAT A1392 11.941 34.802 35.796 1.00 0.00 H +ATOM 4177 O1 WAT A1393 16.864 3.868 37.130 1.00 0.00 O +ATOM 4178 H1 WAT A1393 17.159 4.536 36.511 1.00 0.00 H +ATOM 4179 H2 WAT A1393 17.552 3.204 37.113 1.00 0.00 H +ATOM 4180 O1 WAT A1394 2.512 29.588 23.142 1.00 0.00 O +ATOM 4181 H1 WAT A1394 2.228 29.003 22.439 1.00 0.00 H +ATOM 4182 H2 WAT A1394 2.581 30.447 22.726 1.00 0.00 H +ATOM 4183 O1 WAT A1395 11.477 23.571 13.566 1.00 0.00 O +ATOM 4184 H1 WAT A1395 11.808 24.440 13.338 1.00 0.00 H +ATOM 4185 H2 WAT A1395 11.973 23.322 14.345 1.00 0.00 H +ATOM 4186 O1 WAT A1396 5.762 31.727 28.031 1.00 0.00 O +ATOM 4187 H1 WAT A1396 6.684 31.650 27.781 1.00 0.00 H +ATOM 4188 H2 WAT A1396 5.480 32.559 27.653 1.00 0.00 H +ATOM 4189 O1 WAT A1397 16.154 8.889 15.472 1.00 0.00 O +ATOM 4190 H1 WAT A1397 16.082 9.781 15.131 1.00 0.00 H +ATOM 4191 H2 WAT A1397 15.262 8.546 15.438 1.00 0.00 H +ATOM 4192 O1 WAT A1398 31.618 28.564 0.443 1.00 0.00 O +ATOM 4193 H1 WAT A1398 31.931 29.366 0.862 1.00 0.00 H +ATOM 4194 H2 WAT A1398 30.859 28.302 0.963 1.00 0.00 H +ATOM 4195 O1 WAT A1399 17.016 37.444 33.657 1.00 0.00 O +ATOM 4196 H1 WAT A1399 17.504 38.120 33.186 1.00 0.00 H +ATOM 4197 H2 WAT A1399 16.211 37.880 33.936 1.00 0.00 H +ATOM 4198 O1 WAT A1400 11.823 27.127 32.409 1.00 0.00 O +ATOM 4199 H1 WAT A1400 11.885 27.550 31.552 1.00 0.00 H +ATOM 4200 H2 WAT A1400 11.630 27.840 33.015 1.00 0.00 H +ATOM 4201 O1 WAT A1401 8.556 1.028 15.651 1.00 0.00 O +ATOM 4202 H1 WAT A1401 8.362 0.130 15.920 1.00 0.00 H +ATOM 4203 H2 WAT A1401 7.699 1.421 15.488 1.00 0.00 H +ATOM 4204 O1 WAT A1402 27.776 30.938 1.402 1.00 0.00 O +ATOM 4205 H1 WAT A1402 27.699 30.042 1.729 1.00 0.00 H +ATOM 4206 H2 WAT A1402 27.889 30.839 0.457 1.00 0.00 H +ATOM 4207 O1 WAT A1403 9.316 31.603 33.500 1.00 0.00 O +ATOM 4208 H1 WAT A1403 9.282 31.557 32.545 1.00 0.00 H +ATOM 4209 H2 WAT A1403 8.540 32.105 33.745 1.00 0.00 H +ATOM 4210 O1 WAT A1404 9.638 37.287 29.920 1.00 0.00 O +ATOM 4211 H1 WAT A1404 8.839 37.641 30.311 1.00 0.00 H +ATOM 4212 H2 WAT A1404 9.490 36.343 29.885 1.00 0.00 H +ATOM 4213 O1 WAT A1405 23.283 20.403 17.372 1.00 0.00 O +ATOM 4214 H1 WAT A1405 22.627 21.080 17.208 1.00 0.00 H +ATOM 4215 H2 WAT A1405 23.958 20.842 17.888 1.00 0.00 H +ATOM 4216 O1 WAT A1406 24.111 27.799 30.390 1.00 0.00 O +ATOM 4217 H1 WAT A1406 23.561 27.027 30.525 1.00 0.00 H +ATOM 4218 H2 WAT A1406 23.586 28.529 30.717 1.00 0.00 H +ATOM 4219 O1 WAT A1407 0.562 3.914 25.999 1.00 0.00 O +ATOM 4220 H1 WAT A1407 0.010 4.687 25.876 1.00 0.00 H +ATOM 4221 H2 WAT A1407 0.062 3.198 25.609 1.00 0.00 H +ATOM 4222 O1 WAT A1408 37.582 21.997 14.831 1.00 0.00 O +ATOM 4223 H1 WAT A1408 37.064 21.854 15.623 1.00 0.00 H +ATOM 4224 H2 WAT A1408 38.400 21.527 14.991 1.00 0.00 H +ATOM 4225 O1 WAT A1409 19.373 14.096 30.848 1.00 0.00 O +ATOM 4226 H1 WAT A1409 19.163 13.443 31.515 1.00 0.00 H +ATOM 4227 H2 WAT A1409 20.261 13.875 30.566 1.00 0.00 H +ATOM 4228 O1 WAT A1410 24.508 37.417 2.574 1.00 0.00 O +ATOM 4229 H1 WAT A1410 23.687 37.695 2.168 1.00 0.00 H +ATOM 4230 H2 WAT A1410 24.622 38.008 3.317 1.00 0.00 H +ATOM 4231 O1 WAT A1411 31.864 34.250 9.804 1.00 0.00 O +ATOM 4232 H1 WAT A1411 32.737 33.963 10.073 1.00 0.00 H +ATOM 4233 H2 WAT A1411 31.964 35.183 9.618 1.00 0.00 H +ATOM 4234 O1 WAT A1412 23.551 32.059 36.702 1.00 0.00 O +ATOM 4235 H1 WAT A1412 24.224 32.245 36.047 1.00 0.00 H +ATOM 4236 H2 WAT A1412 22.783 32.543 36.400 1.00 0.00 H +ATOM 4237 O1 WAT A1413 26.567 20.451 29.817 1.00 0.00 O +ATOM 4238 H1 WAT A1413 26.031 20.959 30.427 1.00 0.00 H +ATOM 4239 H2 WAT A1413 27.106 21.103 29.371 1.00 0.00 H +ATOM 4240 O1 WAT A1414 10.411 25.920 12.310 1.00 0.00 O +ATOM 4241 H1 WAT A1414 11.033 26.125 11.611 1.00 0.00 H +ATOM 4242 H2 WAT A1414 10.305 26.743 12.786 1.00 0.00 H +ATOM 4243 O1 WAT A1415 31.621 21.853 17.959 1.00 0.00 O +ATOM 4244 H1 WAT A1415 31.696 22.593 18.561 1.00 0.00 H +ATOM 4245 H2 WAT A1415 31.113 21.201 18.441 1.00 0.00 H +ATOM 4246 O1 WAT A1416 35.503 33.833 23.152 1.00 0.00 O +ATOM 4247 H1 WAT A1416 34.977 33.585 22.391 1.00 0.00 H +ATOM 4248 H2 WAT A1416 36.101 33.098 23.281 1.00 0.00 H +ATOM 4249 O1 WAT A1417 19.642 22.719 0.449 1.00 0.00 O +ATOM 4250 H1 WAT A1417 18.918 22.281 0.000 1.00 0.00 H +ATOM 4251 H2 WAT A1417 19.304 23.589 0.659 1.00 0.00 H +ATOM 4252 O1 WAT A1418 20.454 21.933 35.671 1.00 0.00 O +ATOM 4253 H1 WAT A1418 19.913 22.499 35.119 1.00 0.00 H +ATOM 4254 H2 WAT A1418 20.217 21.044 35.408 1.00 0.00 H +ATOM 4255 O1 WAT A1419 0.002 26.445 34.823 1.00 0.00 O +ATOM 4256 H1 WAT A1419 0.733 26.441 35.441 1.00 0.00 H +ATOM 4257 H2 WAT A1419 0.183 25.716 34.232 1.00 0.00 H +ATOM 4258 O1 WAT A1420 23.906 36.724 31.787 1.00 0.00 O +ATOM 4259 H1 WAT A1420 23.638 37.181 32.585 1.00 0.00 H +ATOM 4260 H2 WAT A1420 24.861 36.707 31.829 1.00 0.00 H +ATOM 4261 O1 WAT A1421 31.636 36.485 17.984 1.00 0.00 O +ATOM 4262 H1 WAT A1421 30.871 36.070 17.584 1.00 0.00 H +ATOM 4263 H2 WAT A1421 31.338 37.363 18.218 1.00 0.00 H +ATOM 4264 O1 WAT A1422 10.268 22.214 19.688 1.00 0.00 O +ATOM 4265 H1 WAT A1422 10.347 22.738 20.485 1.00 0.00 H +ATOM 4266 H2 WAT A1422 10.727 21.399 19.890 1.00 0.00 H +ATOM 4267 O1 WAT A1423 34.402 9.252 32.382 1.00 0.00 O +ATOM 4268 H1 WAT A1423 34.166 10.178 32.315 1.00 0.00 H +ATOM 4269 H2 WAT A1423 33.573 8.785 32.282 1.00 0.00 H +ATOM 4270 O1 WAT A1424 7.540 21.098 22.689 1.00 0.00 O +ATOM 4271 H1 WAT A1424 8.058 20.632 23.345 1.00 0.00 H +ATOM 4272 H2 WAT A1424 6.635 20.998 22.982 1.00 0.00 H +ATOM 4273 O1 WAT A1425 21.172 6.961 0.522 1.00 0.00 O +ATOM 4274 H1 WAT A1425 21.806 6.412 0.060 1.00 0.00 H +ATOM 4275 H2 WAT A1425 21.690 7.686 0.869 1.00 0.00 H +ATOM 4276 O1 WAT A1426 38.061 16.469 4.033 1.00 0.00 O +ATOM 4277 H1 WAT A1426 37.117 16.629 4.031 1.00 0.00 H +ATOM 4278 H2 WAT A1426 38.154 15.573 3.710 1.00 0.00 H +ATOM 4279 O1 WAT A1427 31.640 32.115 14.798 1.00 0.00 O +ATOM 4280 H1 WAT A1427 31.293 31.380 14.293 1.00 0.00 H +ATOM 4281 H2 WAT A1427 32.578 32.117 14.609 1.00 0.00 H +ATOM 4282 O1 WAT A1428 29.901 37.711 23.163 1.00 0.00 O +ATOM 4283 H1 WAT A1428 29.193 37.920 22.553 1.00 0.00 H +ATOM 4284 H2 WAT A1428 29.615 36.908 23.597 1.00 0.00 H +ATOM 4285 O1 WAT A1429 36.145 10.213 19.082 1.00 0.00 O +ATOM 4286 H1 WAT A1429 35.337 10.685 19.284 1.00 0.00 H +ATOM 4287 H2 WAT A1429 35.854 9.339 18.825 1.00 0.00 H +ATOM 4288 O1 WAT A1430 5.135 37.660 17.342 1.00 0.00 O +ATOM 4289 H1 WAT A1430 6.016 37.995 17.175 1.00 0.00 H +ATOM 4290 H2 WAT A1430 4.558 38.400 17.159 1.00 0.00 H +ATOM 4291 O1 WAT A1431 19.157 19.256 5.859 1.00 0.00 O +ATOM 4292 H1 WAT A1431 20.107 19.211 5.748 1.00 0.00 H +ATOM 4293 H2 WAT A1431 19.024 19.937 6.517 1.00 0.00 H +ATOM 4294 O1 WAT A1432 18.477 17.900 13.609 1.00 0.00 O +ATOM 4295 H1 WAT A1432 17.847 17.660 12.930 1.00 0.00 H +ATOM 4296 H2 WAT A1432 19.251 18.190 13.127 1.00 0.00 H +ATOM 4297 O1 WAT A1433 26.221 33.984 10.678 1.00 0.00 O +ATOM 4298 H1 WAT A1433 26.187 34.229 11.603 1.00 0.00 H +ATOM 4299 H2 WAT A1433 25.366 34.238 10.331 1.00 0.00 H +ATOM 4300 O1 WAT A1434 6.074 18.249 24.497 1.00 0.00 O +ATOM 4301 H1 WAT A1434 6.225 18.733 23.685 1.00 0.00 H +ATOM 4302 H2 WAT A1434 5.621 17.452 24.221 1.00 0.00 H +ATOM 4303 O1 WAT A1435 12.907 18.468 1.107 1.00 0.00 O +ATOM 4304 H1 WAT A1435 12.507 17.613 0.948 1.00 0.00 H +ATOM 4305 H2 WAT A1435 13.800 18.381 0.775 1.00 0.00 H +ATOM 4306 O1 WAT A1436 20.352 36.506 30.063 1.00 0.00 O +ATOM 4307 H1 WAT A1436 19.529 36.408 29.585 1.00 0.00 H +ATOM 4308 H2 WAT A1436 20.630 37.403 29.882 1.00 0.00 H +ATOM 4309 O1 WAT A1437 15.921 0.422 28.788 1.00 0.00 O +ATOM 4310 H1 WAT A1437 16.666 1.019 28.866 1.00 0.00 H +ATOM 4311 H2 WAT A1437 15.461 0.501 29.623 1.00 0.00 H +ATOM 4312 O1 WAT A1438 22.399 2.494 28.739 1.00 0.00 O +ATOM 4313 H1 WAT A1438 22.837 1.686 28.469 1.00 0.00 H +ATOM 4314 H2 WAT A1438 21.616 2.199 29.202 1.00 0.00 H +ATOM 4315 O1 WAT A1439 21.776 19.260 30.292 1.00 0.00 O +ATOM 4316 H1 WAT A1439 21.646 18.334 30.086 1.00 0.00 H +ATOM 4317 H2 WAT A1439 20.952 19.535 30.691 1.00 0.00 H +ATOM 4318 O1 WAT A1440 31.078 16.246 24.263 1.00 0.00 O +ATOM 4319 H1 WAT A1440 30.931 17.189 24.186 1.00 0.00 H +ATOM 4320 H2 WAT A1440 30.376 15.850 23.749 1.00 0.00 H +ATOM 4321 O1 WAT A1441 30.320 1.796 16.153 1.00 0.00 O +ATOM 4322 H1 WAT A1441 29.368 1.699 16.139 1.00 0.00 H +ATOM 4323 H2 WAT A1441 30.465 2.740 16.195 1.00 0.00 H +ATOM 4324 O1 WAT A1442 22.522 0.404 22.825 1.00 0.00 O +ATOM 4325 H1 WAT A1442 21.660 0.000 22.928 1.00 0.00 H +ATOM 4326 H2 WAT A1442 22.884 0.000 22.038 1.00 0.00 H +ATOM 4327 O1 WAT A1443 37.565 26.126 20.906 1.00 0.00 O +ATOM 4328 H1 WAT A1443 38.309 25.868 20.361 1.00 0.00 H +ATOM 4329 H2 WAT A1443 37.274 25.312 21.315 1.00 0.00 H +ATOM 4330 O1 WAT A1444 13.749 35.072 1.349 1.00 0.00 O +ATOM 4331 H1 WAT A1444 13.949 34.266 1.825 1.00 0.00 H +ATOM 4332 H2 WAT A1444 14.305 35.735 1.755 1.00 0.00 H +ATOM 4333 O1 WAT A1445 16.084 13.250 6.830 1.00 0.00 O +ATOM 4334 H1 WAT A1445 16.780 13.901 6.745 1.00 0.00 H +ATOM 4335 H2 WAT A1445 16.542 12.431 7.016 1.00 0.00 H +ATOM 4336 O1 WAT A1446 23.416 15.465 30.387 1.00 0.00 O +ATOM 4337 H1 WAT A1446 22.705 15.203 30.972 1.00 0.00 H +ATOM 4338 H2 WAT A1446 24.064 15.871 30.961 1.00 0.00 H +ATOM 4339 O1 WAT A1447 0.001 9.681 8.041 1.00 0.00 O +ATOM 4340 H1 WAT A1447 0.048 10.159 8.869 1.00 0.00 H +ATOM 4341 H2 WAT A1447 0.908 9.623 7.745 1.00 0.00 H +ATOM 4342 O1 WAT A1448 14.127 26.571 7.431 1.00 0.00 O +ATOM 4343 H1 WAT A1448 13.589 27.057 6.806 1.00 0.00 H +ATOM 4344 H2 WAT A1448 14.161 25.682 7.079 1.00 0.00 H +ATOM 4345 O1 WAT A1449 19.768 17.904 19.647 1.00 0.00 O +ATOM 4346 H1 WAT A1449 20.280 17.304 20.189 1.00 0.00 H +ATOM 4347 H2 WAT A1449 20.421 18.424 19.180 1.00 0.00 H +ATOM 4348 O1 WAT A1450 32.641 32.584 37.123 1.00 0.00 O +ATOM 4349 H1 WAT A1450 33.289 33.264 37.306 1.00 0.00 H +ATOM 4350 H2 WAT A1450 32.514 32.622 36.175 1.00 0.00 H +ATOM 4351 O1 WAT A1451 18.281 14.330 5.125 1.00 0.00 O +ATOM 4352 H1 WAT A1451 18.209 13.952 4.248 1.00 0.00 H +ATOM 4353 H2 WAT A1451 18.673 13.636 5.654 1.00 0.00 H +ATOM 4354 O1 WAT A1452 17.868 30.948 33.258 1.00 0.00 O +ATOM 4355 H1 WAT A1452 17.474 31.616 32.697 1.00 0.00 H +ATOM 4356 H2 WAT A1452 18.689 30.722 32.822 1.00 0.00 H +ATOM 4357 O1 WAT A1453 15.987 9.608 1.524 1.00 0.00 O +ATOM 4358 H1 WAT A1453 16.907 9.347 1.560 1.00 0.00 H +ATOM 4359 H2 WAT A1453 15.507 8.841 1.835 1.00 0.00 H +ATOM 4360 O1 WAT A1454 32.231 9.371 16.942 1.00 0.00 O +ATOM 4361 H1 WAT A1454 31.993 8.450 16.834 1.00 0.00 H +ATOM 4362 H2 WAT A1454 31.509 9.749 17.443 1.00 0.00 H +ATOM 4363 O1 WAT A1455 18.186 21.615 36.155 1.00 0.00 O +ATOM 4364 H1 WAT A1455 17.362 21.195 36.402 1.00 0.00 H +ATOM 4365 H2 WAT A1455 18.613 21.814 36.988 1.00 0.00 H +ATOM 4366 O1 WAT A1456 23.397 23.132 5.445 1.00 0.00 O +ATOM 4367 H1 WAT A1456 23.711 23.821 6.031 1.00 0.00 H +ATOM 4368 H2 WAT A1456 23.338 22.354 5.998 1.00 0.00 H +ATOM 4369 O1 WAT A1457 33.434 5.313 31.703 1.00 0.00 O +ATOM 4370 H1 WAT A1457 33.429 4.640 31.022 1.00 0.00 H +ATOM 4371 H2 WAT A1457 33.211 6.122 31.243 1.00 0.00 H +ATOM 4372 O1 WAT A1458 7.195 4.416 9.469 1.00 0.00 O +ATOM 4373 H1 WAT A1458 7.107 5.320 9.772 1.00 0.00 H +ATOM 4374 H2 WAT A1458 6.538 4.329 8.779 1.00 0.00 H +ATOM 4375 O1 WAT A1459 24.523 9.570 35.056 1.00 0.00 O +ATOM 4376 H1 WAT A1459 23.828 8.918 34.965 1.00 0.00 H +ATOM 4377 H2 WAT A1459 25.070 9.448 34.280 1.00 0.00 H +ATOM 4378 O1 WAT A1460 27.399 21.826 3.609 1.00 0.00 O +ATOM 4379 H1 WAT A1460 26.640 21.465 4.066 1.00 0.00 H +ATOM 4380 H2 WAT A1460 27.459 22.729 3.917 1.00 0.00 H +ATOM 4381 O1 WAT A1461 19.066 8.796 11.088 1.00 0.00 O +ATOM 4382 H1 WAT A1461 18.668 9.666 11.053 1.00 0.00 H +ATOM 4383 H2 WAT A1461 18.382 8.207 10.771 1.00 0.00 H +ATOM 4384 O1 WAT A1462 21.434 1.004 7.358 1.00 0.00 O +ATOM 4385 H1 WAT A1462 20.557 1.385 7.408 1.00 0.00 H +ATOM 4386 H2 WAT A1462 21.997 1.636 7.804 1.00 0.00 H +ATOM 4387 O1 WAT A1463 37.876 6.272 20.562 1.00 0.00 O +ATOM 4388 H1 WAT A1463 38.400 6.995 20.215 1.00 0.00 H +ATOM 4389 H2 WAT A1463 38.401 5.491 20.390 1.00 0.00 H +ATOM 4390 O1 WAT A1464 20.018 29.125 33.675 1.00 0.00 O +ATOM 4391 H1 WAT A1464 20.512 29.939 33.772 1.00 0.00 H +ATOM 4392 H2 WAT A1464 20.682 28.436 33.706 1.00 0.00 H +ATOM 4393 O1 WAT A1465 13.408 32.499 3.772 1.00 0.00 O +ATOM 4394 H1 WAT A1465 14.318 32.313 4.003 1.00 0.00 H +ATOM 4395 H2 WAT A1465 13.348 33.454 3.781 1.00 0.00 H +ATOM 4396 O1 WAT A1466 22.401 19.911 9.730 1.00 0.00 O +ATOM 4397 H1 WAT A1466 22.522 20.649 9.132 1.00 0.00 H +ATOM 4398 H2 WAT A1466 22.473 19.136 9.174 1.00 0.00 H +ATOM 4399 O1 WAT A1467 8.868 3.241 3.046 1.00 0.00 O +ATOM 4400 H1 WAT A1467 8.758 4.190 2.986 1.00 0.00 H +ATOM 4401 H2 WAT A1467 9.535 3.118 3.720 1.00 0.00 H +ATOM 4402 O1 WAT A1468 21.238 21.773 12.300 1.00 0.00 O +ATOM 4403 H1 WAT A1468 21.573 22.404 12.937 1.00 0.00 H +ATOM 4404 H2 WAT A1468 21.908 21.739 11.619 1.00 0.00 H +ATOM 4405 O1 WAT A1469 17.070 8.546 18.105 1.00 0.00 O +ATOM 4406 H1 WAT A1469 17.453 8.623 17.231 1.00 0.00 H +ATOM 4407 H2 WAT A1469 16.191 8.199 17.953 1.00 0.00 H +ATOM 4408 O1 WAT A1470 33.465 0.096 29.228 1.00 0.00 O +ATOM 4409 H1 WAT A1470 32.522 0.000 29.091 1.00 0.00 H +ATOM 4410 H2 WAT A1470 33.540 0.633 30.016 1.00 0.00 H +ATOM 4411 O1 WAT A1471 20.126 29.251 22.167 1.00 0.00 O +ATOM 4412 H1 WAT A1471 20.138 29.449 21.230 1.00 0.00 H +ATOM 4413 H2 WAT A1471 19.276 29.571 22.469 1.00 0.00 H +ATOM 4414 O1 WAT A1472 9.888 34.937 0.070 1.00 0.00 O +ATOM 4415 H1 WAT A1472 10.674 35.248 0.520 1.00 0.00 H +ATOM 4416 H2 WAT A1472 10.010 33.990 0.000 1.00 0.00 H +ATOM 4417 O1 WAT A1473 36.182 37.344 9.668 1.00 0.00 O +ATOM 4418 H1 WAT A1473 36.451 37.041 8.801 1.00 0.00 H +ATOM 4419 H2 WAT A1473 35.898 38.247 9.529 1.00 0.00 H +ATOM 4420 O1 WAT A1474 16.770 35.736 14.645 1.00 0.00 O +ATOM 4421 H1 WAT A1474 17.076 34.929 14.231 1.00 0.00 H +ATOM 4422 H2 WAT A1474 16.746 36.376 13.934 1.00 0.00 H +ATOM 4423 O1 WAT A1475 1.829 6.356 17.911 1.00 0.00 O +ATOM 4424 H1 WAT A1475 2.340 7.134 18.133 1.00 0.00 H +ATOM 4425 H2 WAT A1475 0.994 6.699 17.594 1.00 0.00 H +ATOM 4426 O1 WAT A1476 5.840 32.934 21.874 1.00 0.00 O +ATOM 4427 H1 WAT A1476 5.804 33.884 21.985 1.00 0.00 H +ATOM 4428 H2 WAT A1476 5.375 32.585 22.633 1.00 0.00 H +ATOM 4429 O1 WAT A1477 17.137 31.572 1.773 1.00 0.00 O +ATOM 4430 H1 WAT A1477 17.413 32.320 1.243 1.00 0.00 H +ATOM 4431 H2 WAT A1477 16.330 31.862 2.197 1.00 0.00 H +ATOM 4432 O1 WAT A1478 8.901 29.484 18.134 1.00 0.00 O +ATOM 4433 H1 WAT A1478 8.882 30.203 17.502 1.00 0.00 H +ATOM 4434 H2 WAT A1478 9.444 29.809 18.851 1.00 0.00 H +ATOM 4435 O1 WAT A1479 29.331 29.922 3.762 1.00 0.00 O +ATOM 4436 H1 WAT A1479 30.092 30.502 3.724 1.00 0.00 H +ATOM 4437 H2 WAT A1479 29.593 29.221 4.358 1.00 0.00 H +ATOM 4438 O1 WAT A1480 4.486 6.373 37.671 1.00 0.00 O +ATOM 4439 H1 WAT A1480 3.700 6.401 38.218 1.00 0.00 H +ATOM 4440 H2 WAT A1480 4.234 6.823 36.865 1.00 0.00 H +ATOM 4441 O1 WAT A1481 9.934 12.138 0.421 1.00 0.00 O +ATOM 4442 H1 WAT A1481 10.756 12.630 0.402 1.00 0.00 H +ATOM 4443 H2 WAT A1481 9.298 12.716 0.001 1.00 0.00 H +ATOM 4444 O1 WAT A1482 31.028 16.305 18.047 1.00 0.00 O +ATOM 4445 H1 WAT A1482 30.634 15.454 17.858 1.00 0.00 H +ATOM 4446 H2 WAT A1482 30.793 16.482 18.957 1.00 0.00 H +ATOM 4447 O1 WAT A1483 1.769 21.743 15.341 1.00 0.00 O +ATOM 4448 H1 WAT A1483 1.787 21.203 14.550 1.00 0.00 H +ATOM 4449 H2 WAT A1483 2.151 21.187 16.020 1.00 0.00 H +ATOM 4450 O1 WAT A1484 17.733 26.128 11.926 1.00 0.00 O +ATOM 4451 H1 WAT A1484 17.099 26.573 12.490 1.00 0.00 H +ATOM 4452 H2 WAT A1484 18.579 26.287 12.344 1.00 0.00 H +ATOM 4453 O1 WAT A1485 0.092 35.383 16.282 1.00 0.00 O +ATOM 4454 H1 WAT A1485 0.432 34.721 16.884 1.00 0.00 H +ATOM 4455 H2 WAT A1485 0.001 34.925 15.447 1.00 0.00 H +ATOM 4456 O1 WAT A1486 33.336 15.177 18.456 1.00 0.00 O +ATOM 4457 H1 WAT A1486 33.976 15.802 18.115 1.00 0.00 H +ATOM 4458 H2 WAT A1486 33.287 15.370 19.392 1.00 0.00 H +ATOM 4459 O1 WAT A1487 8.771 18.261 19.680 1.00 0.00 O +ATOM 4460 H1 WAT A1487 8.966 17.333 19.813 1.00 0.00 H +ATOM 4461 H2 WAT A1487 9.502 18.587 19.156 1.00 0.00 H +ATOM 4462 O1 WAT A1488 18.598 33.427 25.238 1.00 0.00 O +ATOM 4463 H1 WAT A1488 18.771 32.486 25.263 1.00 0.00 H +ATOM 4464 H2 WAT A1488 17.706 33.517 25.571 1.00 0.00 H +ATOM 4465 O1 WAT A1489 8.888 37.626 19.222 1.00 0.00 O +ATOM 4466 H1 WAT A1489 9.805 37.901 19.213 1.00 0.00 H +ATOM 4467 H2 WAT A1489 8.913 36.713 19.504 1.00 0.00 H +ATOM 4468 O1 WAT A1490 20.335 4.213 12.908 1.00 0.00 O +ATOM 4469 H1 WAT A1490 19.490 3.893 13.225 1.00 0.00 H +ATOM 4470 H2 WAT A1490 20.946 3.500 13.092 1.00 0.00 H +ATOM 4471 O1 WAT A1491 14.665 35.250 36.283 1.00 0.00 O +ATOM 4472 H1 WAT A1491 14.775 36.197 36.190 1.00 0.00 H +ATOM 4473 H2 WAT A1491 14.132 34.995 35.531 1.00 0.00 H +ATOM 4474 O1 WAT A1492 4.142 31.983 36.080 1.00 0.00 O +ATOM 4475 H1 WAT A1492 3.194 31.861 36.026 1.00 0.00 H +ATOM 4476 H2 WAT A1492 4.503 31.336 35.474 1.00 0.00 H +ATOM 4477 O1 WAT A1493 35.703 25.100 38.144 1.00 0.00 O +ATOM 4478 H1 WAT A1493 35.668 26.055 38.088 1.00 0.00 H +ATOM 4479 H2 WAT A1493 36.605 24.907 38.397 1.00 0.00 H +ATOM 4480 O1 WAT A1494 1.517 10.847 22.597 1.00 0.00 O +ATOM 4481 H1 WAT A1494 1.168 11.456 23.247 1.00 0.00 H +ATOM 4482 H2 WAT A1494 1.375 11.283 21.758 1.00 0.00 H +ATOM 4483 O1 WAT A1495 21.265 13.669 33.156 1.00 0.00 O +ATOM 4484 H1 WAT A1495 22.194 13.894 33.206 1.00 0.00 H +ATOM 4485 H2 WAT A1495 21.131 13.046 33.870 1.00 0.00 H +ATOM 4486 O1 WAT A1496 4.402 6.540 27.305 1.00 0.00 O +ATOM 4487 H1 WAT A1496 4.997 7.131 26.842 1.00 0.00 H +ATOM 4488 H2 WAT A1496 3.534 6.761 26.969 1.00 0.00 H +ATOM 4489 O1 WAT A1497 2.032 18.956 20.959 1.00 0.00 O +ATOM 4490 H1 WAT A1497 1.801 18.370 21.680 1.00 0.00 H +ATOM 4491 H2 WAT A1497 1.842 18.452 20.169 1.00 0.00 H +ATOM 4492 O1 WAT A1498 5.208 35.111 38.282 1.00 0.00 O +ATOM 4493 H1 WAT A1498 6.077 34.726 38.400 1.00 0.00 H +ATOM 4494 H2 WAT A1498 5.376 35.971 37.899 1.00 0.00 H +ATOM 4495 O1 WAT A1499 6.119 10.342 37.328 1.00 0.00 O +ATOM 4496 H1 WAT A1499 5.565 11.123 37.325 1.00 0.00 H +ATOM 4497 H2 WAT A1499 5.549 9.642 37.010 1.00 0.00 H +ATOM 4498 O1 WAT A1500 32.018 21.475 21.706 1.00 0.00 O +ATOM 4499 H1 WAT A1500 32.927 21.360 21.428 1.00 0.00 H +ATOM 4500 H2 WAT A1500 32.076 21.672 22.640 1.00 0.00 H +ATOM 4501 O1 WAT A1501 29.681 4.605 37.583 1.00 0.00 O +ATOM 4502 H1 WAT A1501 30.595 4.365 37.731 1.00 0.00 H +ATOM 4503 H2 WAT A1501 29.243 3.777 37.387 1.00 0.00 H +ATOM 4504 O1 WAT A1502 21.549 36.179 15.144 1.00 0.00 O +ATOM 4505 H1 WAT A1502 21.474 35.243 15.330 1.00 0.00 H +ATOM 4506 H2 WAT A1502 20.863 36.585 15.673 1.00 0.00 H +ATOM 4507 O1 WAT A1503 11.339 6.697 27.413 1.00 0.00 O +ATOM 4508 H1 WAT A1503 11.672 7.584 27.276 1.00 0.00 H +ATOM 4509 H2 WAT A1503 11.021 6.424 26.553 1.00 0.00 H +ATOM 4510 O1 WAT A1504 25.494 34.876 25.642 1.00 0.00 O +ATOM 4511 H1 WAT A1504 25.465 35.651 26.204 1.00 0.00 H +ATOM 4512 H2 WAT A1504 25.528 34.139 26.251 1.00 0.00 H +ATOM 4513 O1 WAT A1505 8.487 2.487 38.329 1.00 0.00 O +ATOM 4514 H1 WAT A1505 7.536 2.572 38.400 1.00 0.00 H +ATOM 4515 H2 WAT A1505 8.626 1.592 38.022 1.00 0.00 H +ATOM 4516 O1 WAT A1506 12.491 16.046 7.793 1.00 0.00 O +ATOM 4517 H1 WAT A1506 12.179 16.678 8.441 1.00 0.00 H +ATOM 4518 H2 WAT A1506 12.180 15.200 8.113 1.00 0.00 H +ATOM 4519 O1 WAT A1507 9.944 9.025 24.006 1.00 0.00 O +ATOM 4520 H1 WAT A1507 10.643 9.122 24.652 1.00 0.00 H +ATOM 4521 H2 WAT A1507 9.478 9.860 24.028 1.00 0.00 H +ATOM 4522 O1 WAT A1508 14.443 28.103 33.144 1.00 0.00 O +ATOM 4523 H1 WAT A1508 13.675 28.669 33.066 1.00 0.00 H +ATOM 4524 H2 WAT A1508 15.095 28.643 33.589 1.00 0.00 H +ATOM 4525 O1 WAT A1509 22.367 25.043 25.540 1.00 0.00 O +ATOM 4526 H1 WAT A1509 21.495 24.921 25.916 1.00 0.00 H +ATOM 4527 H2 WAT A1509 22.308 24.658 24.666 1.00 0.00 H +ATOM 4528 O1 WAT A1510 37.466 3.112 14.653 1.00 0.00 O +ATOM 4529 H1 WAT A1510 37.897 2.280 14.849 1.00 0.00 H +ATOM 4530 H2 WAT A1510 37.351 3.106 13.704 1.00 0.00 H +ATOM 4531 O1 WAT A1511 7.285 3.595 24.341 1.00 0.00 O +ATOM 4532 H1 WAT A1511 6.435 3.480 24.768 1.00 0.00 H +ATOM 4533 H2 WAT A1511 7.620 2.706 24.230 1.00 0.00 H +ATOM 4534 O1 WAT A1512 23.562 5.640 34.802 1.00 0.00 O +ATOM 4535 H1 WAT A1512 22.751 5.216 34.520 1.00 0.00 H +ATOM 4536 H2 WAT A1512 23.896 5.079 35.502 1.00 0.00 H +ATOM 4537 O1 WAT A1513 28.084 16.100 13.413 1.00 0.00 O +ATOM 4538 H1 WAT A1513 28.702 15.781 14.071 1.00 0.00 H +ATOM 4539 H2 WAT A1513 27.515 15.351 13.235 1.00 0.00 H +ATOM 4540 O1 WAT A1514 0.625 31.936 0.443 1.00 0.00 O +ATOM 4541 H1 WAT A1514 1.507 32.223 0.679 1.00 0.00 H +ATOM 4542 H2 WAT A1514 0.119 32.746 0.377 1.00 0.00 H +ATOM 4543 O1 WAT A1515 23.114 30.952 3.461 1.00 0.00 O +ATOM 4544 H1 WAT A1515 23.218 30.405 4.240 1.00 0.00 H +ATOM 4545 H2 WAT A1515 23.518 30.445 2.757 1.00 0.00 H +ATOM 4546 O1 WAT A1516 18.435 16.799 10.194 1.00 0.00 O +ATOM 4547 H1 WAT A1516 18.971 17.499 9.820 1.00 0.00 H +ATOM 4548 H2 WAT A1516 18.879 15.992 9.936 1.00 0.00 H +ATOM 4549 O1 WAT A1517 15.738 33.409 10.468 1.00 0.00 O +ATOM 4550 H1 WAT A1517 15.076 34.101 10.456 1.00 0.00 H +ATOM 4551 H2 WAT A1517 16.441 33.759 11.015 1.00 0.00 H +ATOM 4552 O1 WAT A1518 13.322 20.549 21.056 1.00 0.00 O +ATOM 4553 H1 WAT A1518 12.605 20.395 20.441 1.00 0.00 H +ATOM 4554 H2 WAT A1518 12.916 21.018 21.785 1.00 0.00 H +ATOM 4555 O1 WAT A1519 10.358 28.249 35.869 1.00 0.00 O +ATOM 4556 H1 WAT A1519 10.803 27.996 36.678 1.00 0.00 H +ATOM 4557 H2 WAT A1519 11.065 28.504 35.277 1.00 0.00 H +ATOM 4558 O1 WAT A1520 25.867 19.576 5.577 1.00 0.00 O +ATOM 4559 H1 WAT A1520 25.715 18.632 5.547 1.00 0.00 H +ATOM 4560 H2 WAT A1520 25.002 19.955 5.728 1.00 0.00 H +ATOM 4561 O1 WAT A1521 31.401 20.137 1.114 1.00 0.00 O +ATOM 4562 H1 WAT A1521 30.477 19.954 1.282 1.00 0.00 H +ATOM 4563 H2 WAT A1521 31.504 21.065 1.326 1.00 0.00 H +ATOM 4564 O1 WAT A1522 4.834 25.583 32.234 1.00 0.00 O +ATOM 4565 H1 WAT A1522 5.324 24.837 31.887 1.00 0.00 H +ATOM 4566 H2 WAT A1522 5.448 26.020 32.823 1.00 0.00 H +ATOM 4567 O1 WAT A1523 9.452 19.622 0.457 1.00 0.00 O +ATOM 4568 H1 WAT A1523 9.203 20.426 0.000 1.00 0.00 H +ATOM 4569 H2 WAT A1523 10.257 19.849 0.921 1.00 0.00 H +ATOM 4570 O1 WAT A1524 9.740 24.990 19.946 1.00 0.00 O +ATOM 4571 H1 WAT A1524 10.184 25.642 20.489 1.00 0.00 H +ATOM 4572 H2 WAT A1524 9.329 25.499 19.248 1.00 0.00 H +ATOM 4573 O1 WAT A1525 28.786 16.319 21.416 1.00 0.00 O +ATOM 4574 H1 WAT A1525 29.014 15.585 21.987 1.00 0.00 H +ATOM 4575 H2 WAT A1525 27.977 16.046 20.985 1.00 0.00 H +ATOM 4576 O1 WAT A1526 19.124 2.531 23.981 1.00 0.00 O +ATOM 4577 H1 WAT A1526 18.965 3.387 23.584 1.00 0.00 H +ATOM 4578 H2 WAT A1526 18.268 2.102 23.977 1.00 0.00 H +ATOM 4579 O1 WAT A1527 5.592 28.995 13.012 1.00 0.00 O +ATOM 4580 H1 WAT A1527 6.489 28.683 12.888 1.00 0.00 H +ATOM 4581 H2 WAT A1527 5.655 29.946 12.929 1.00 0.00 H +ATOM 4582 O1 WAT A1528 6.274 5.979 3.021 1.00 0.00 O +ATOM 4583 H1 WAT A1528 6.328 5.024 2.975 1.00 0.00 H +ATOM 4584 H2 WAT A1528 7.054 6.286 2.561 1.00 0.00 H +ATOM 4585 O1 WAT A1529 3.629 18.777 38.398 1.00 0.00 O +ATOM 4586 H1 WAT A1529 3.449 17.930 37.991 1.00 0.00 H +ATOM 4587 H2 WAT A1529 4.582 18.860 38.368 1.00 0.00 H +ATOM 4588 O1 WAT A1530 29.972 0.174 13.201 1.00 0.00 O +ATOM 4589 H1 WAT A1530 29.722 0.011 12.291 1.00 0.00 H +ATOM 4590 H2 WAT A1530 30.916 0.019 13.222 1.00 0.00 H +ATOM 4591 O1 WAT A1531 9.591 12.417 10.922 1.00 0.00 O +ATOM 4592 H1 WAT A1531 10.394 11.895 10.900 1.00 0.00 H +ATOM 4593 H2 WAT A1531 9.353 12.530 10.003 1.00 0.00 H +ATOM 4594 O1 WAT A1532 15.672 34.898 21.525 1.00 0.00 O +ATOM 4595 H1 WAT A1532 16.002 34.482 20.728 1.00 0.00 H +ATOM 4596 H2 WAT A1532 15.182 35.658 21.214 1.00 0.00 H +ATOM 4597 O1 WAT A1533 22.714 25.441 3.919 1.00 0.00 O +ATOM 4598 H1 WAT A1533 23.084 25.952 3.199 1.00 0.00 H +ATOM 4599 H2 WAT A1533 22.802 26.008 4.685 1.00 0.00 H +ATOM 4600 O1 WAT A1534 7.551 20.089 4.018 1.00 0.00 O +ATOM 4601 H1 WAT A1534 6.621 20.315 4.011 1.00 0.00 H +ATOM 4602 H2 WAT A1534 7.988 20.876 4.342 1.00 0.00 H +ATOM 4603 O1 WAT A1535 20.914 31.493 15.279 1.00 0.00 O +ATOM 4604 H1 WAT A1535 20.630 30.636 14.962 1.00 0.00 H +ATOM 4605 H2 WAT A1535 20.132 31.872 15.679 1.00 0.00 H +ATOM 4606 O1 WAT A1536 22.417 4.274 25.105 1.00 0.00 O +ATOM 4607 H1 WAT A1536 23.018 3.556 25.309 1.00 0.00 H +ATOM 4608 H2 WAT A1536 21.750 3.878 24.546 1.00 0.00 H +ATOM 4609 O1 WAT A1537 33.460 21.097 27.556 1.00 0.00 O +ATOM 4610 H1 WAT A1537 34.071 21.467 28.193 1.00 0.00 H +ATOM 4611 H2 WAT A1537 33.468 21.716 26.827 1.00 0.00 H +ATOM 4612 O1 WAT A1538 24.671 19.438 20.933 1.00 0.00 O +ATOM 4613 H1 WAT A1538 23.747 19.684 20.872 1.00 0.00 H +ATOM 4614 H2 WAT A1538 24.693 18.521 20.659 1.00 0.00 H +ATOM 4615 O1 WAT A1539 1.137 15.857 13.375 1.00 0.00 O +ATOM 4616 H1 WAT A1539 1.329 16.544 14.014 1.00 0.00 H +ATOM 4617 H2 WAT A1539 0.369 16.176 12.902 1.00 0.00 H +ATOM 4618 O1 WAT A1540 13.994 29.260 38.217 1.00 0.00 O +ATOM 4619 H1 WAT A1540 13.238 28.700 38.396 1.00 0.00 H +ATOM 4620 H2 WAT A1540 13.683 30.147 38.398 1.00 0.00 H +ATOM 4621 O1 WAT A1541 30.648 22.610 3.964 1.00 0.00 O +ATOM 4622 H1 WAT A1541 30.152 22.123 4.623 1.00 0.00 H +ATOM 4623 H2 WAT A1541 30.821 23.458 4.371 1.00 0.00 H +ATOM 4624 O1 WAT A1542 28.673 7.102 34.856 1.00 0.00 O +ATOM 4625 H1 WAT A1542 27.778 6.769 34.799 1.00 0.00 H +ATOM 4626 H2 WAT A1542 28.603 7.889 35.396 1.00 0.00 H +ATOM 4627 O1 WAT A1543 11.063 7.893 10.676 1.00 0.00 O +ATOM 4628 H1 WAT A1543 11.121 8.527 11.391 1.00 0.00 H +ATOM 4629 H2 WAT A1543 10.212 7.474 10.795 1.00 0.00 H +ATOM 4630 O1 WAT A1544 27.258 13.866 6.718 1.00 0.00 O +ATOM 4631 H1 WAT A1544 27.753 13.625 7.501 1.00 0.00 H +ATOM 4632 H2 WAT A1544 26.447 14.246 7.054 1.00 0.00 H +ATOM 4633 O1 WAT A1545 3.452 31.087 27.856 1.00 0.00 O +ATOM 4634 H1 WAT A1545 3.642 30.174 28.072 1.00 0.00 H +ATOM 4635 H2 WAT A1545 3.589 31.145 26.911 1.00 0.00 H +ATOM 4636 O1 WAT A1546 3.970 28.767 29.731 1.00 0.00 O +ATOM 4637 H1 WAT A1546 3.250 29.157 30.228 1.00 0.00 H +ATOM 4638 H2 WAT A1546 4.695 29.382 29.837 1.00 0.00 H +ATOM 4639 O1 WAT A1547 0.183 28.075 28.719 1.00 0.00 O +ATOM 4640 H1 WAT A1547 0.002 28.994 28.519 1.00 0.00 H +ATOM 4641 H2 WAT A1547 0.001 27.611 27.903 1.00 0.00 H +ATOM 4642 O1 WAT A1548 10.906 14.131 37.979 1.00 0.00 O +ATOM 4643 H1 WAT A1548 11.767 14.097 38.396 1.00 0.00 H +ATOM 4644 H2 WAT A1548 10.871 14.994 37.568 1.00 0.00 H +ATOM 4645 O1 WAT A1549 20.557 34.472 12.968 1.00 0.00 O +ATOM 4646 H1 WAT A1549 21.331 35.006 13.147 1.00 0.00 H +ATOM 4647 H2 WAT A1549 19.948 35.068 12.534 1.00 0.00 H +ATOM 4648 O1 WAT A1550 16.131 27.621 7.126 1.00 0.00 O +ATOM 4649 H1 WAT A1550 15.888 27.738 8.045 1.00 0.00 H +ATOM 4650 H2 WAT A1550 16.998 27.218 7.157 1.00 0.00 H +ATOM 4651 O1 WAT A1551 25.397 31.305 1.423 1.00 0.00 O +ATOM 4652 H1 WAT A1551 25.585 30.576 2.015 1.00 0.00 H +ATOM 4653 H2 WAT A1551 25.351 30.905 0.556 1.00 0.00 H +ATOM 4654 O1 WAT A1552 14.014 13.798 1.740 1.00 0.00 O +ATOM 4655 H1 WAT A1552 14.693 13.130 1.653 1.00 0.00 H +ATOM 4656 H2 WAT A1552 14.076 14.311 0.935 1.00 0.00 H +ATOM 4657 O1 WAT A1553 17.286 23.838 4.480 1.00 0.00 O +ATOM 4658 H1 WAT A1553 16.509 23.282 4.411 1.00 0.00 H +ATOM 4659 H2 WAT A1553 16.939 24.717 4.628 1.00 0.00 H +ATOM 4660 O1 WAT A1554 28.653 28.720 20.849 1.00 0.00 O +ATOM 4661 H1 WAT A1554 29.605 28.641 20.907 1.00 0.00 H +ATOM 4662 H2 WAT A1554 28.477 29.644 21.025 1.00 0.00 H +ATOM 4663 O1 WAT A1555 29.264 23.128 18.498 1.00 0.00 O +ATOM 4664 H1 WAT A1555 29.410 22.481 19.189 1.00 0.00 H +ATOM 4665 H2 WAT A1555 29.736 23.906 18.794 1.00 0.00 H +ATOM 4666 O1 WAT A1556 16.711 13.405 32.474 1.00 0.00 O +ATOM 4667 H1 WAT A1556 17.355 14.072 32.710 1.00 0.00 H +ATOM 4668 H2 WAT A1556 17.121 12.577 32.723 1.00 0.00 H +ATOM 4669 O1 WAT A1557 5.912 10.406 5.226 1.00 0.00 O +ATOM 4670 H1 WAT A1557 6.462 9.671 4.954 1.00 0.00 H +ATOM 4671 H2 WAT A1557 6.398 11.184 4.952 1.00 0.00 H +ATOM 4672 O1 WAT A1558 19.814 36.089 38.085 1.00 0.00 O +ATOM 4673 H1 WAT A1558 20.301 36.906 37.981 1.00 0.00 H +ATOM 4674 H2 WAT A1558 20.488 35.418 38.189 1.00 0.00 H +ATOM 4675 O1 WAT A1559 29.796 19.037 26.209 1.00 0.00 O +ATOM 4676 H1 WAT A1559 30.233 18.200 26.367 1.00 0.00 H +ATOM 4677 H2 WAT A1559 29.929 19.533 27.016 1.00 0.00 H +ATOM 4678 O1 WAT A1560 16.763 38.370 9.842 1.00 0.00 O +ATOM 4679 H1 WAT A1560 15.834 38.394 10.076 1.00 0.00 H +ATOM 4680 H2 WAT A1560 17.222 38.397 10.681 1.00 0.00 H +ATOM 4681 O1 WAT A1561 35.350 13.688 32.166 1.00 0.00 O +ATOM 4682 H1 WAT A1561 35.079 14.339 31.519 1.00 0.00 H +ATOM 4683 H2 WAT A1561 36.277 13.537 31.981 1.00 0.00 H +ATOM 4684 O1 WAT A1562 38.028 10.915 0.553 1.00 0.00 O +ATOM 4685 H1 WAT A1562 37.970 11.870 0.592 1.00 0.00 H +ATOM 4686 H2 WAT A1562 37.186 10.638 0.195 1.00 0.00 H +ATOM 4687 O1 WAT A1563 31.347 13.022 13.737 1.00 0.00 O +ATOM 4688 H1 WAT A1563 31.102 12.097 13.774 1.00 0.00 H +ATOM 4689 H2 WAT A1563 32.224 13.023 13.355 1.00 0.00 H +ATOM 4690 O1 WAT A1564 2.475 19.385 29.269 1.00 0.00 O +ATOM 4691 H1 WAT A1564 3.301 18.904 29.324 1.00 0.00 H +ATOM 4692 H2 WAT A1564 1.990 18.951 28.567 1.00 0.00 H +ATOM 4693 O1 WAT A1565 20.651 25.985 5.147 1.00 0.00 O +ATOM 4694 H1 WAT A1565 20.224 25.721 5.962 1.00 0.00 H +ATOM 4695 H2 WAT A1565 20.019 26.561 4.720 1.00 0.00 H +ATOM 4696 O1 WAT A1566 9.060 9.861 36.513 1.00 0.00 O +ATOM 4697 H1 WAT A1566 9.679 9.150 36.681 1.00 0.00 H +ATOM 4698 H2 WAT A1566 9.462 10.630 36.916 1.00 0.00 H +ATOM 4699 O1 WAT A1567 38.147 19.758 17.431 1.00 0.00 O +ATOM 4700 H1 WAT A1567 38.400 19.482 16.549 1.00 0.00 H +ATOM 4701 H2 WAT A1567 37.754 20.621 17.309 1.00 0.00 H +ATOM 4702 O1 WAT A1568 31.831 32.811 30.492 1.00 0.00 O +ATOM 4703 H1 WAT A1568 32.447 33.192 29.866 1.00 0.00 H +ATOM 4704 H2 WAT A1568 32.337 32.140 30.949 1.00 0.00 H +ATOM 4705 O1 WAT A1569 5.146 26.640 25.284 1.00 0.00 O +ATOM 4706 H1 WAT A1569 4.998 27.247 24.558 1.00 0.00 H +ATOM 4707 H2 WAT A1569 4.345 26.689 25.804 1.00 0.00 H +ATOM 4708 O1 WAT A1570 1.617 11.766 36.152 1.00 0.00 O +ATOM 4709 H1 WAT A1570 0.978 11.054 36.151 1.00 0.00 H +ATOM 4710 H2 WAT A1570 2.139 11.621 35.363 1.00 0.00 H +ATOM 4711 O1 WAT A1571 2.373 1.352 17.018 1.00 0.00 O +ATOM 4712 H1 WAT A1571 2.075 0.987 16.185 1.00 0.00 H +ATOM 4713 H2 WAT A1571 2.415 0.601 17.609 1.00 0.00 H +ATOM 4714 O1 WAT A1572 12.730 18.386 31.057 1.00 0.00 O +ATOM 4715 H1 WAT A1572 13.380 17.682 31.049 1.00 0.00 H +ATOM 4716 H2 WAT A1572 12.088 18.113 31.711 1.00 0.00 H +ATOM 4717 O1 WAT A1573 26.492 3.621 30.238 1.00 0.00 O +ATOM 4718 H1 WAT A1573 26.474 2.965 29.541 1.00 0.00 H +ATOM 4719 H2 WAT A1573 26.723 3.128 31.025 1.00 0.00 H +ATOM 4720 O1 WAT A1574 7.268 36.176 9.134 1.00 0.00 O +ATOM 4721 H1 WAT A1574 7.421 37.120 9.174 1.00 0.00 H +ATOM 4722 H2 WAT A1574 8.106 35.787 9.382 1.00 0.00 H +ATOM 4723 O1 WAT A1575 29.871 6.599 12.576 1.00 0.00 O +ATOM 4724 H1 WAT A1575 30.641 6.548 13.143 1.00 0.00 H +ATOM 4725 H2 WAT A1575 29.811 7.523 12.334 1.00 0.00 H +ATOM 4726 O1 WAT A1576 34.674 8.592 5.862 1.00 0.00 O +ATOM 4727 H1 WAT A1576 34.375 8.424 4.969 1.00 0.00 H +ATOM 4728 H2 WAT A1576 34.153 9.340 6.153 1.00 0.00 H +ATOM 4729 O1 WAT A1577 0.344 35.493 1.056 1.00 0.00 O +ATOM 4730 H1 WAT A1577 0.457 36.172 0.391 1.00 0.00 H +ATOM 4731 H2 WAT A1577 1.191 35.446 1.498 1.00 0.00 H +ATOM 4732 O1 WAT A1578 38.113 21.186 19.405 1.00 0.00 O +ATOM 4733 H1 WAT A1578 38.398 21.643 20.196 1.00 0.00 H +ATOM 4734 H2 WAT A1578 38.344 20.270 19.561 1.00 0.00 H +ATOM 4735 O1 WAT A1579 26.703 22.250 7.953 1.00 0.00 O +ATOM 4736 H1 WAT A1579 25.778 22.137 7.734 1.00 0.00 H +ATOM 4737 H2 WAT A1579 26.933 23.106 7.593 1.00 0.00 H +ATOM 4738 O1 WAT A1580 7.084 6.262 35.542 1.00 0.00 O +ATOM 4739 H1 WAT A1580 6.270 5.758 35.551 1.00 0.00 H +ATOM 4740 H2 WAT A1580 7.756 5.628 35.296 1.00 0.00 H +ATOM 4741 O1 WAT A1581 9.235 16.931 17.531 1.00 0.00 O +ATOM 4742 H1 WAT A1581 9.146 15.983 17.438 1.00 0.00 H +ATOM 4743 H2 WAT A1581 8.336 17.254 17.579 1.00 0.00 H +ATOM 4744 O1 WAT A1582 16.097 15.629 24.292 1.00 0.00 O +ATOM 4745 H1 WAT A1582 16.340 14.858 23.779 1.00 0.00 H +ATOM 4746 H2 WAT A1582 15.245 15.410 24.667 1.00 0.00 H +ATOM 4747 O1 WAT A1583 31.628 11.313 1.775 1.00 0.00 O +ATOM 4748 H1 WAT A1583 31.756 10.940 2.647 1.00 0.00 H +ATOM 4749 H2 WAT A1583 32.213 12.070 1.749 1.00 0.00 H +ATOM 4750 O1 WAT A1584 0.616 28.040 2.767 1.00 0.00 O +ATOM 4751 H1 WAT A1584 1.356 27.647 3.229 1.00 0.00 H +ATOM 4752 H2 WAT A1584 0.124 27.295 2.424 1.00 0.00 H +ATOM 4753 O1 WAT A1585 33.131 36.048 31.483 1.00 0.00 O +ATOM 4754 H1 WAT A1585 32.407 35.962 32.104 1.00 0.00 H +ATOM 4755 H2 WAT A1585 33.915 35.871 32.001 1.00 0.00 H +ATOM 4756 O1 WAT A1586 35.182 25.081 8.357 1.00 0.00 O +ATOM 4757 H1 WAT A1586 34.618 24.724 9.044 1.00 0.00 H +ATOM 4758 H2 WAT A1586 35.905 25.492 8.829 1.00 0.00 H +ATOM 4759 O1 WAT A1587 7.632 12.867 22.007 1.00 0.00 O +ATOM 4760 H1 WAT A1587 7.241 13.724 21.835 1.00 0.00 H +ATOM 4761 H2 WAT A1587 7.048 12.245 21.573 1.00 0.00 H +ATOM 4762 O1 WAT A1588 0.434 27.737 22.550 1.00 0.00 O +ATOM 4763 H1 WAT A1588 0.003 27.088 23.107 1.00 0.00 H +ATOM 4764 H2 WAT A1588 0.007 27.645 21.699 1.00 0.00 H +ATOM 4765 O1 WAT A1589 25.471 30.602 35.278 1.00 0.00 O +ATOM 4766 H1 WAT A1589 24.775 30.039 34.940 1.00 0.00 H +ATOM 4767 H2 WAT A1589 25.672 31.197 34.556 1.00 0.00 H +ATOM 4768 O1 WAT A1590 15.015 20.313 24.578 1.00 0.00 O +ATOM 4769 H1 WAT A1590 15.056 19.421 24.924 1.00 0.00 H +ATOM 4770 H2 WAT A1590 14.329 20.738 25.090 1.00 0.00 H +ATOM 4771 O1 WAT A1591 37.469 23.206 4.629 1.00 0.00 O +ATOM 4772 H1 WAT A1591 38.400 23.421 4.682 1.00 0.00 H +ATOM 4773 H2 WAT A1591 37.411 22.309 4.956 1.00 0.00 H +ATOM 4774 O1 WAT A1592 4.770 24.590 24.347 1.00 0.00 O +ATOM 4775 H1 WAT A1592 3.989 24.722 24.885 1.00 0.00 H +ATOM 4776 H2 WAT A1592 5.419 24.231 24.951 1.00 0.00 H +ATOM 4777 O1 WAT A1593 38.167 25.947 36.573 1.00 0.00 O +ATOM 4778 H1 WAT A1593 38.013 25.005 36.655 1.00 0.00 H +ATOM 4779 H2 WAT A1593 37.293 26.336 36.603 1.00 0.00 H +ATOM 4780 O1 WAT A1594 18.559 32.833 34.174 1.00 0.00 O +ATOM 4781 H1 WAT A1594 18.224 33.724 34.276 1.00 0.00 H +ATOM 4782 H2 WAT A1594 19.333 32.802 34.735 1.00 0.00 H +ATOM 4783 O1 WAT A1595 12.833 30.552 26.464 1.00 0.00 O +ATOM 4784 H1 WAT A1595 12.012 30.942 26.164 1.00 0.00 H +ATOM 4785 H2 WAT A1595 12.564 29.793 26.981 1.00 0.00 H +ATOM 4786 O1 WAT A1596 17.590 30.850 10.919 1.00 0.00 O +ATOM 4787 H1 WAT A1596 16.969 31.440 10.493 1.00 0.00 H +ATOM 4788 H2 WAT A1596 18.449 31.149 10.622 1.00 0.00 H +ATOM 4789 O1 WAT A1597 18.194 24.634 37.867 1.00 0.00 O +ATOM 4790 H1 WAT A1597 18.570 23.997 37.259 1.00 0.00 H +ATOM 4791 H2 WAT A1597 18.026 25.408 37.330 1.00 0.00 H +ATOM 4792 O1 WAT A1598 9.358 30.258 28.706 1.00 0.00 O +ATOM 4793 H1 WAT A1598 9.415 29.304 28.755 1.00 0.00 H +ATOM 4794 H2 WAT A1598 8.444 30.434 28.484 1.00 0.00 H +ATOM 4795 O1 WAT A1599 17.330 1.658 35.185 1.00 0.00 O +ATOM 4796 H1 WAT A1599 16.784 0.923 34.905 1.00 0.00 H +ATOM 4797 H2 WAT A1599 16.724 2.395 35.255 1.00 0.00 H +ATOM 4798 O1 WAT A1600 3.534 0.000 31.219 1.00 0.00 O +ATOM 4799 H1 WAT A1600 2.630 0.188 31.470 1.00 0.00 H +ATOM 4800 H2 WAT A1600 3.808 0.765 30.715 1.00 0.00 H +ATOM 4801 O1 WAT A1601 24.914 33.114 16.875 1.00 0.00 O +ATOM 4802 H1 WAT A1601 24.421 32.516 17.438 1.00 0.00 H +ATOM 4803 H2 WAT A1601 24.290 33.376 16.199 1.00 0.00 H +ATOM 4804 O1 WAT A1602 37.836 8.783 28.241 1.00 0.00 O +ATOM 4805 H1 WAT A1602 38.352 8.045 28.566 1.00 0.00 H +ATOM 4806 H2 WAT A1602 37.686 9.330 29.012 1.00 0.00 H +ATOM 4807 O1 WAT A1603 3.891 6.596 29.443 1.00 0.00 O +ATOM 4808 H1 WAT A1603 3.134 6.010 29.452 1.00 0.00 H +ATOM 4809 H2 WAT A1603 3.547 7.436 29.747 1.00 0.00 H +ATOM 4810 O1 WAT A1604 6.930 23.204 28.041 1.00 0.00 O +ATOM 4811 H1 WAT A1604 6.286 23.912 28.064 1.00 0.00 H +ATOM 4812 H2 WAT A1604 7.737 23.602 28.363 1.00 0.00 H +ATOM 4813 O1 WAT A1605 27.294 1.847 24.902 1.00 0.00 O +ATOM 4814 H1 WAT A1605 27.136 0.904 24.865 1.00 0.00 H +ATOM 4815 H2 WAT A1605 28.215 1.946 24.663 1.00 0.00 H +ATOM 4816 O1 WAT A1606 35.728 36.992 19.562 1.00 0.00 O +ATOM 4817 H1 WAT A1606 34.775 37.014 19.479 1.00 0.00 H +ATOM 4818 H2 WAT A1606 35.885 36.851 20.495 1.00 0.00 H +ATOM 4819 O1 WAT A1607 14.429 17.472 6.946 1.00 0.00 O +ATOM 4820 H1 WAT A1607 15.307 17.602 6.588 1.00 0.00 H +ATOM 4821 H2 WAT A1607 14.560 16.905 7.705 1.00 0.00 H +ATOM 4822 O1 WAT A1608 3.039 28.482 11.311 1.00 0.00 O +ATOM 4823 H1 WAT A1608 2.717 27.993 12.068 1.00 0.00 H +ATOM 4824 H2 WAT A1608 2.293 28.523 10.715 1.00 0.00 H +ATOM 4825 O1 WAT A1609 28.719 16.228 31.920 1.00 0.00 O +ATOM 4826 H1 WAT A1609 28.151 16.998 31.947 1.00 0.00 H +ATOM 4827 H2 WAT A1609 29.538 16.519 32.320 1.00 0.00 H +ATOM 4828 O1 WAT A1610 35.355 3.147 17.192 1.00 0.00 O +ATOM 4829 H1 WAT A1610 34.800 3.906 17.373 1.00 0.00 H +ATOM 4830 H2 WAT A1610 36.249 3.484 17.252 1.00 0.00 H +ATOM 4831 O1 WAT A1611 30.800 28.374 13.756 1.00 0.00 O +ATOM 4832 H1 WAT A1611 29.992 28.057 14.160 1.00 0.00 H +ATOM 4833 H2 WAT A1611 31.014 29.170 14.241 1.00 0.00 H +ATOM 4834 O1 WAT A1612 9.922 28.714 26.531 1.00 0.00 O +ATOM 4835 H1 WAT A1612 10.209 29.609 26.717 1.00 0.00 H +ATOM 4836 H2 WAT A1612 8.976 28.731 26.669 1.00 0.00 H +ATOM 4837 O1 WAT A1613 28.936 12.373 25.122 1.00 0.00 O +ATOM 4838 H1 WAT A1613 28.102 12.838 25.193 1.00 0.00 H +ATOM 4839 H2 WAT A1613 29.575 12.964 25.518 1.00 0.00 H +ATOM 4840 O1 WAT A1614 10.191 2.158 7.803 1.00 0.00 O +ATOM 4841 H1 WAT A1614 10.196 1.227 7.579 1.00 0.00 H +ATOM 4842 H2 WAT A1614 9.758 2.581 7.062 1.00 0.00 H +ATOM 4843 O1 WAT A1615 7.023 32.402 13.546 1.00 0.00 O +ATOM 4844 H1 WAT A1615 6.367 31.814 13.919 1.00 0.00 H +ATOM 4845 H2 WAT A1615 7.545 31.845 12.970 1.00 0.00 H +ATOM 4846 O1 WAT A1616 7.615 18.426 31.752 1.00 0.00 O +ATOM 4847 H1 WAT A1616 8.461 17.977 31.724 1.00 0.00 H +ATOM 4848 H2 WAT A1616 6.992 17.749 32.012 1.00 0.00 H +ATOM 4849 O1 WAT A1617 6.466 34.130 31.881 1.00 0.00 O +ATOM 4850 H1 WAT A1617 6.028 33.300 31.693 1.00 0.00 H +ATOM 4851 H2 WAT A1617 6.844 34.398 31.044 1.00 0.00 H +ATOM 4852 O1 WAT A1618 0.042 34.650 20.863 1.00 0.00 O +ATOM 4853 H1 WAT A1618 0.001 34.627 19.906 1.00 0.00 H +ATOM 4854 H2 WAT A1618 0.187 33.739 21.118 1.00 0.00 H +ATOM 4855 O1 WAT A1619 32.842 16.988 14.350 1.00 0.00 O +ATOM 4856 H1 WAT A1619 31.951 16.640 14.372 1.00 0.00 H +ATOM 4857 H2 WAT A1619 32.780 17.835 14.790 1.00 0.00 H +ATOM 4858 O1 WAT A1620 18.468 34.954 32.352 1.00 0.00 O +ATOM 4859 H1 WAT A1620 19.343 34.842 32.724 1.00 0.00 H +ATOM 4860 H2 WAT A1620 18.363 35.901 32.265 1.00 0.00 H +ATOM 4861 O1 WAT A1621 8.182 26.263 25.897 1.00 0.00 O +ATOM 4862 H1 WAT A1621 7.277 26.566 25.826 1.00 0.00 H +ATOM 4863 H2 WAT A1621 8.164 25.369 25.559 1.00 0.00 H +ATOM 4864 O1 WAT A1622 21.867 3.368 3.903 1.00 0.00 O +ATOM 4865 H1 WAT A1622 21.211 3.966 4.262 1.00 0.00 H +ATOM 4866 H2 WAT A1622 22.221 2.914 4.667 1.00 0.00 H +ATOM 4867 O1 WAT A1623 26.622 32.254 30.288 1.00 0.00 O +ATOM 4868 H1 WAT A1623 26.088 32.260 31.082 1.00 0.00 H +ATOM 4869 H2 WAT A1623 27.005 31.378 30.263 1.00 0.00 H +ATOM 4870 O1 WAT A1624 5.950 23.988 36.972 1.00 0.00 O +ATOM 4871 H1 WAT A1624 6.397 23.145 37.051 1.00 0.00 H +ATOM 4872 H2 WAT A1624 5.082 23.836 37.346 1.00 0.00 H +ATOM 4873 O1 WAT A1625 11.503 21.786 8.198 1.00 0.00 O +ATOM 4874 H1 WAT A1625 11.733 20.860 8.277 1.00 0.00 H +ATOM 4875 H2 WAT A1625 10.569 21.819 8.403 1.00 0.00 H +ATOM 4876 O1 WAT A1626 32.241 34.127 19.563 1.00 0.00 O +ATOM 4877 H1 WAT A1626 31.535 34.703 19.269 1.00 0.00 H +ATOM 4878 H2 WAT A1626 31.895 33.243 19.446 1.00 0.00 H +ATOM 4879 O1 WAT A1627 17.340 8.414 28.041 1.00 0.00 O +ATOM 4880 H1 WAT A1627 16.575 8.776 28.489 1.00 0.00 H +ATOM 4881 H2 WAT A1627 17.922 9.163 27.918 1.00 0.00 H +ATOM 4882 O1 WAT A1628 19.665 37.301 21.905 1.00 0.00 O +ATOM 4883 H1 WAT A1628 19.357 37.401 21.005 1.00 0.00 H +ATOM 4884 H2 WAT A1628 20.425 36.724 21.836 1.00 0.00 H +ATOM 4885 O1 WAT A1629 30.440 24.401 20.819 1.00 0.00 O +ATOM 4886 H1 WAT A1629 29.590 23.994 20.987 1.00 0.00 H +ATOM 4887 H2 WAT A1629 31.058 23.671 20.807 1.00 0.00 H +ATOM 4888 O1 WAT A1630 36.092 7.765 1.777 1.00 0.00 O +ATOM 4889 H1 WAT A1630 36.827 8.377 1.832 1.00 0.00 H +ATOM 4890 H2 WAT A1630 35.622 7.879 2.602 1.00 0.00 H +ATOM 4891 O1 WAT A1631 13.892 25.428 31.683 1.00 0.00 O +ATOM 4892 H1 WAT A1631 14.286 26.109 32.228 1.00 0.00 H +ATOM 4893 H2 WAT A1631 14.407 24.643 31.871 1.00 0.00 H +ATOM 4894 O1 WAT A1632 10.173 20.597 6.096 1.00 0.00 O +ATOM 4895 H1 WAT A1632 10.337 21.540 6.119 1.00 0.00 H +ATOM 4896 H2 WAT A1632 11.020 20.201 6.298 1.00 0.00 H +ATOM 4897 O1 WAT A1633 16.307 36.428 25.044 1.00 0.00 O +ATOM 4898 H1 WAT A1633 15.633 37.074 25.256 1.00 0.00 H +ATOM 4899 H2 WAT A1633 15.843 35.745 24.562 1.00 0.00 H +ATOM 4900 O1 WAT A1634 36.558 13.265 29.817 1.00 0.00 O +ATOM 4901 H1 WAT A1634 37.478 13.386 29.583 1.00 0.00 H +ATOM 4902 H2 WAT A1634 36.143 14.100 29.599 1.00 0.00 H +ATOM 4903 O1 WAT A1635 33.953 28.653 17.015 1.00 0.00 O +ATOM 4904 H1 WAT A1635 34.248 27.769 16.800 1.00 0.00 H +ATOM 4905 H2 WAT A1635 34.482 29.225 16.460 1.00 0.00 H +ATOM 4906 O1 WAT A1636 5.702 19.007 9.855 1.00 0.00 O +ATOM 4907 H1 WAT A1636 4.787 19.287 9.828 1.00 0.00 H +ATOM 4908 H2 WAT A1636 6.190 19.746 9.493 1.00 0.00 H +ATOM 4909 O1 WAT A1637 33.042 3.551 36.503 1.00 0.00 O +ATOM 4910 H1 WAT A1637 32.186 3.916 36.279 1.00 0.00 H +ATOM 4911 H2 WAT A1637 33.594 4.315 36.666 1.00 0.00 H +ATOM 4912 O1 WAT A1638 7.171 15.703 22.796 1.00 0.00 O +ATOM 4913 H1 WAT A1638 7.855 15.637 23.462 1.00 0.00 H +ATOM 4914 H2 WAT A1638 7.611 16.081 22.035 1.00 0.00 H +ATOM 4915 O1 WAT A1639 17.362 24.464 13.623 1.00 0.00 O +ATOM 4916 H1 WAT A1639 18.048 24.441 14.290 1.00 0.00 H +ATOM 4917 H2 WAT A1639 16.608 24.851 14.067 1.00 0.00 H +ATOM 4918 O1 WAT A1640 35.171 13.346 24.503 1.00 0.00 O +ATOM 4919 H1 WAT A1640 35.388 12.648 23.884 1.00 0.00 H +ATOM 4920 H2 WAT A1640 35.702 13.156 25.275 1.00 0.00 H +ATOM 4921 O1 WAT A1641 12.494 32.788 1.096 1.00 0.00 O +ATOM 4922 H1 WAT A1641 12.027 33.194 0.366 1.00 0.00 H +ATOM 4923 H2 WAT A1641 11.804 32.443 1.662 1.00 0.00 H +ATOM 4924 O1 WAT A1642 16.951 19.009 8.166 1.00 0.00 O +ATOM 4925 H1 WAT A1642 17.492 19.795 8.089 1.00 0.00 H +ATOM 4926 H2 WAT A1642 16.088 19.279 7.852 1.00 0.00 H +ATOM 4927 O1 WAT A1643 37.149 7.702 13.200 1.00 0.00 O +ATOM 4928 H1 WAT A1643 38.028 7.395 12.980 1.00 0.00 H +ATOM 4929 H2 WAT A1643 37.093 8.573 12.809 1.00 0.00 H +ATOM 4930 O1 WAT A1644 22.918 4.417 22.048 1.00 0.00 O +ATOM 4931 H1 WAT A1644 23.275 5.256 22.340 1.00 0.00 H +ATOM 4932 H2 WAT A1644 23.671 3.827 22.037 1.00 0.00 H +ATOM 4933 O1 WAT A1645 18.067 9.110 23.241 1.00 0.00 O +ATOM 4934 H1 WAT A1645 18.104 9.478 24.125 1.00 0.00 H +ATOM 4935 H2 WAT A1645 18.837 8.546 23.183 1.00 0.00 H +ATOM 4936 O1 WAT A1646 31.840 31.414 2.682 1.00 0.00 O +ATOM 4937 H1 WAT A1646 32.108 32.239 3.088 1.00 0.00 H +ATOM 4938 H2 WAT A1646 32.225 30.737 3.238 1.00 0.00 H +ATOM 4939 O1 WAT A1647 33.122 12.675 6.591 1.00 0.00 O +ATOM 4940 H1 WAT A1647 32.697 12.452 7.420 1.00 0.00 H +ATOM 4941 H2 WAT A1647 33.549 13.515 6.758 1.00 0.00 H +ATOM 4942 O1 WAT A1648 37.997 9.341 15.082 1.00 0.00 O +ATOM 4943 H1 WAT A1648 37.053 9.206 14.993 1.00 0.00 H +ATOM 4944 H2 WAT A1648 38.383 8.497 14.852 1.00 0.00 H +ATOM 4945 O1 WAT A1649 7.138 12.561 14.620 1.00 0.00 O +ATOM 4946 H1 WAT A1649 6.808 11.913 15.243 1.00 0.00 H +ATOM 4947 H2 WAT A1649 6.473 12.594 13.933 1.00 0.00 H +ATOM 4948 O1 WAT A1650 31.460 8.190 0.086 1.00 0.00 O +ATOM 4949 H1 WAT A1650 31.502 7.238 0.001 1.00 0.00 H +ATOM 4950 H2 WAT A1650 32.159 8.407 0.702 1.00 0.00 H +ATOM 4951 O1 WAT A1651 29.614 9.238 22.004 1.00 0.00 O +ATOM 4952 H1 WAT A1651 28.682 9.455 22.036 1.00 0.00 H +ATOM 4953 H2 WAT A1651 29.645 8.369 21.606 1.00 0.00 H +ATOM 4954 O1 WAT A1652 32.408 12.088 22.101 1.00 0.00 O +ATOM 4955 H1 WAT A1652 31.891 11.735 22.825 1.00 0.00 H +ATOM 4956 H2 WAT A1652 32.120 11.591 21.336 1.00 0.00 H +ATOM 4957 O1 WAT A1653 14.023 26.082 10.050 1.00 0.00 O +ATOM 4958 H1 WAT A1653 14.482 26.921 10.022 1.00 0.00 H +ATOM 4959 H2 WAT A1653 14.433 25.560 9.362 1.00 0.00 H +ATOM 4960 O1 WAT A1654 21.363 5.092 26.996 1.00 0.00 O +ATOM 4961 H1 WAT A1654 20.778 5.811 26.756 1.00 0.00 H +ATOM 4962 H2 WAT A1654 20.788 4.436 27.388 1.00 0.00 H +ATOM 4963 O1 WAT A1655 33.939 27.000 3.352 1.00 0.00 O +ATOM 4964 H1 WAT A1655 34.794 26.570 3.316 1.00 0.00 H +ATOM 4965 H2 WAT A1655 34.101 27.884 3.025 1.00 0.00 H +ATOM 4966 O1 WAT A1656 34.913 29.405 25.720 1.00 0.00 O +ATOM 4967 H1 WAT A1656 35.830 29.673 25.786 1.00 0.00 H +ATOM 4968 H2 WAT A1656 34.484 30.130 25.267 1.00 0.00 H +ATOM 4969 O1 WAT A1657 26.861 7.747 12.764 1.00 0.00 O +ATOM 4970 H1 WAT A1657 27.412 8.046 12.040 1.00 0.00 H +ATOM 4971 H2 WAT A1657 25.975 7.738 12.403 1.00 0.00 H +ATOM 4972 O1 WAT A1658 33.816 21.148 37.941 1.00 0.00 O +ATOM 4973 H1 WAT A1658 33.870 20.292 38.366 1.00 0.00 H +ATOM 4974 H2 WAT A1658 34.461 21.685 38.399 1.00 0.00 H +ATOM 4975 O1 WAT A1659 22.427 16.816 5.536 1.00 0.00 O +ATOM 4976 H1 WAT A1659 22.542 15.873 5.654 1.00 0.00 H +ATOM 4977 H2 WAT A1659 23.216 17.099 5.075 1.00 0.00 H +ATOM 4978 O1 WAT A1660 20.635 21.245 27.036 1.00 0.00 O +ATOM 4979 H1 WAT A1660 21.576 21.248 27.215 1.00 0.00 H +ATOM 4980 H2 WAT A1660 20.565 21.500 26.117 1.00 0.00 H +ATOM 4981 O1 WAT A1661 10.955 29.563 20.731 1.00 0.00 O +ATOM 4982 H1 WAT A1661 11.787 30.031 20.660 1.00 0.00 H +ATOM 4983 H2 WAT A1661 10.685 29.690 21.640 1.00 0.00 H +ATOM 4984 O1 WAT A1662 21.915 5.807 6.752 1.00 0.00 O +ATOM 4985 H1 WAT A1662 22.861 5.727 6.880 1.00 0.00 H +ATOM 4986 H2 WAT A1662 21.701 5.127 6.114 1.00 0.00 H +ATOM 4987 O1 WAT A1663 0.981 26.460 16.697 1.00 0.00 O +ATOM 4988 H1 WAT A1663 0.133 26.902 16.654 1.00 0.00 H +ATOM 4989 H2 WAT A1663 1.602 27.153 16.919 1.00 0.00 H +ATOM 4990 O1 WAT A1664 29.466 2.339 30.519 1.00 0.00 O +ATOM 4991 H1 WAT A1664 28.977 1.651 30.068 1.00 0.00 H +ATOM 4992 H2 WAT A1664 29.747 2.930 29.821 1.00 0.00 H +ATOM 4993 O1 WAT A1665 26.960 15.825 37.023 1.00 0.00 O +ATOM 4994 H1 WAT A1665 27.909 15.836 36.898 1.00 0.00 H +ATOM 4995 H2 WAT A1665 26.659 16.653 36.651 1.00 0.00 H +ATOM 4996 O1 WAT A1666 23.818 13.527 5.225 1.00 0.00 O +ATOM 4997 H1 WAT A1666 24.117 14.160 5.879 1.00 0.00 H +ATOM 4998 H2 WAT A1666 23.244 14.030 4.649 1.00 0.00 H +ATOM 4999 O1 WAT A1667 34.121 26.112 0.369 1.00 0.00 O +ATOM 5000 H1 WAT A1667 34.161 26.577 1.205 1.00 0.00 H +ATOM 5001 H2 WAT A1667 33.272 26.353 -0.000 1.00 0.00 H +ATOM 5002 O1 WAT A1668 26.534 30.265 32.113 1.00 0.00 O +ATOM 5003 H1 WAT A1668 27.487 30.185 32.072 1.00 0.00 H +ATOM 5004 H2 WAT A1668 26.257 29.552 32.687 1.00 0.00 H +ATOM 5005 O1 WAT A1669 8.906 6.594 25.765 1.00 0.00 O +ATOM 5006 H1 WAT A1669 8.697 6.255 24.895 1.00 0.00 H +ATOM 5007 H2 WAT A1669 8.918 5.820 26.328 1.00 0.00 H +ATOM 5008 O1 WAT A1670 37.678 28.001 25.635 1.00 0.00 O +ATOM 5009 H1 WAT A1670 37.881 27.252 25.076 1.00 0.00 H +ATOM 5010 H2 WAT A1670 38.390 28.024 26.274 1.00 0.00 H +ATOM 5011 O1 WAT A1671 11.605 14.464 11.888 1.00 0.00 O +ATOM 5012 H1 WAT A1671 11.340 13.572 12.115 1.00 0.00 H +ATOM 5013 H2 WAT A1671 11.171 14.638 11.053 1.00 0.00 H +ATOM 5014 O1 WAT A1672 38.080 20.672 32.847 1.00 0.00 O +ATOM 5015 H1 WAT A1672 37.463 19.947 32.950 1.00 0.00 H +ATOM 5016 H2 WAT A1672 37.594 21.443 33.138 1.00 0.00 H +ATOM 5017 O1 WAT A1673 4.440 25.174 3.966 1.00 0.00 O +ATOM 5018 H1 WAT A1673 3.538 24.859 3.912 1.00 0.00 H +ATOM 5019 H2 WAT A1673 4.397 25.929 4.551 1.00 0.00 H +ATOM 5020 O1 WAT A1674 30.251 18.782 32.528 1.00 0.00 O +ATOM 5021 H1 WAT A1674 29.893 18.630 31.653 1.00 0.00 H +ATOM 5022 H2 WAT A1674 30.406 19.725 32.564 1.00 0.00 H +ATOM 5023 O1 WAT A1675 9.694 8.598 1.817 1.00 0.00 O +ATOM 5024 H1 WAT A1675 9.074 9.326 1.793 1.00 0.00 H +ATOM 5025 H2 WAT A1675 9.200 7.850 1.483 1.00 0.00 H +ATOM 5026 O1 WAT A1676 27.580 24.161 12.961 1.00 0.00 O +ATOM 5027 H1 WAT A1676 28.024 25.009 12.966 1.00 0.00 H +ATOM 5028 H2 WAT A1676 28.282 23.521 13.071 1.00 0.00 H +ATOM 5029 O1 WAT A1677 12.914 27.104 14.305 1.00 0.00 O +ATOM 5030 H1 WAT A1677 13.860 27.161 14.446 1.00 0.00 H +ATOM 5031 H2 WAT A1677 12.694 26.199 14.524 1.00 0.00 H +ATOM 5032 O1 WAT A1678 27.854 29.662 27.588 1.00 0.00 O +ATOM 5033 H1 WAT A1678 27.491 30.548 27.572 1.00 0.00 H +ATOM 5034 H2 WAT A1678 28.723 29.765 27.974 1.00 0.00 H +ATOM 5035 O1 WAT A1679 12.405 34.586 24.321 1.00 0.00 O +ATOM 5036 H1 WAT A1679 11.805 35.034 24.918 1.00 0.00 H +ATOM 5037 H2 WAT A1679 12.829 33.921 24.862 1.00 0.00 H +ATOM 5038 O1 WAT A1680 31.972 26.521 21.557 1.00 0.00 O +ATOM 5039 H1 WAT A1680 31.051 26.778 21.600 1.00 0.00 H +ATOM 5040 H2 WAT A1680 32.418 27.126 22.150 1.00 0.00 H +ATOM 5041 O1 WAT A1681 20.110 21.892 29.617 1.00 0.00 O +ATOM 5042 H1 WAT A1681 19.352 21.377 29.342 1.00 0.00 H +ATOM 5043 H2 WAT A1681 20.866 21.378 29.334 1.00 0.00 H +ATOM 5044 O1 WAT A1682 9.663 30.201 37.980 1.00 0.00 O +ATOM 5045 H1 WAT A1682 8.884 29.671 37.810 1.00 0.00 H +ATOM 5046 H2 WAT A1682 10.276 29.600 38.400 1.00 0.00 H +ATOM 5047 O1 WAT A1683 32.315 14.970 16.518 1.00 0.00 O +ATOM 5048 H1 WAT A1683 33.042 15.428 16.098 1.00 0.00 H +ATOM 5049 H2 WAT A1683 31.682 14.827 15.815 1.00 0.00 H +ATOM 5050 O1 WAT A1684 2.413 21.731 29.413 1.00 0.00 O +ATOM 5051 H1 WAT A1684 2.303 21.438 28.509 1.00 0.00 H +ATOM 5052 H2 WAT A1684 3.358 21.843 29.516 1.00 0.00 H +ATOM 5053 O1 WAT A1685 14.242 31.452 9.669 1.00 0.00 O +ATOM 5054 H1 WAT A1685 15.107 31.648 9.311 1.00 0.00 H +ATOM 5055 H2 WAT A1685 13.916 32.294 9.986 1.00 0.00 H +ATOM 5056 O1 WAT A1686 3.090 12.511 20.773 1.00 0.00 O +ATOM 5057 H1 WAT A1686 2.622 12.036 20.086 1.00 0.00 H +ATOM 5058 H2 WAT A1686 2.893 13.432 20.605 1.00 0.00 H +ATOM 5059 O1 WAT A1687 13.195 33.927 27.223 1.00 0.00 O +ATOM 5060 H1 WAT A1687 12.272 34.167 27.306 1.00 0.00 H +ATOM 5061 H2 WAT A1687 13.670 34.745 27.365 1.00 0.00 H +ATOM 5062 O1 WAT A1688 37.823 36.157 15.338 1.00 0.00 O +ATOM 5063 H1 WAT A1688 38.400 36.892 15.131 1.00 0.00 H +ATOM 5064 H2 WAT A1688 38.400 35.394 15.351 1.00 0.00 H +ATOM 5065 O1 WAT A1689 25.659 33.912 -0.005 1.00 0.00 O +ATOM 5066 H1 WAT A1689 26.013 34.145 0.854 1.00 0.00 H +ATOM 5067 H2 WAT A1689 25.209 33.080 0.138 1.00 0.00 H +ATOM 5068 O1 WAT A1690 26.968 28.244 13.446 1.00 0.00 O +ATOM 5069 H1 WAT A1690 27.873 27.959 13.579 1.00 0.00 H +ATOM 5070 H2 WAT A1690 26.439 27.488 13.699 1.00 0.00 H +ATOM 5071 O1 WAT A1691 12.434 28.051 11.282 1.00 0.00 O +ATOM 5072 H1 WAT A1691 12.919 27.268 11.543 1.00 0.00 H +ATOM 5073 H2 WAT A1691 11.776 28.165 11.967 1.00 0.00 H +ATOM 5074 O1 WAT A1692 18.976 21.391 13.674 1.00 0.00 O +ATOM 5075 H1 WAT A1692 19.113 20.457 13.518 1.00 0.00 H +ATOM 5076 H2 WAT A1692 18.026 21.502 13.658 1.00 0.00 H +ATOM 5077 O1 WAT A1693 37.074 5.215 12.793 1.00 0.00 O +ATOM 5078 H1 WAT A1693 36.275 5.739 12.726 1.00 0.00 H +ATOM 5079 H2 WAT A1693 37.150 4.782 11.944 1.00 0.00 H +ATOM 5080 O1 WAT A1694 21.812 10.721 5.663 1.00 0.00 O +ATOM 5081 H1 WAT A1694 21.623 10.746 6.602 1.00 0.00 H +ATOM 5082 H2 WAT A1694 21.494 9.866 5.377 1.00 0.00 H +ATOM 5083 O1 WAT A1695 37.591 24.988 26.609 1.00 0.00 O +ATOM 5084 H1 WAT A1695 36.652 24.947 26.423 1.00 0.00 H +ATOM 5085 H2 WAT A1695 37.673 25.658 27.286 1.00 0.00 H +ATOM 5086 O1 WAT A1696 33.704 1.644 25.023 1.00 0.00 O +ATOM 5087 H1 WAT A1696 33.161 0.876 25.199 1.00 0.00 H +ATOM 5088 H2 WAT A1696 33.749 2.104 25.861 1.00 0.00 H +ATOM 5089 O1 WAT A1697 17.837 2.835 27.275 1.00 0.00 O +ATOM 5090 H1 WAT A1697 18.560 3.449 27.147 1.00 0.00 H +ATOM 5091 H2 WAT A1697 18.229 2.094 27.736 1.00 0.00 H +ATOM 5092 O1 WAT A1698 15.001 15.012 5.217 1.00 0.00 O +ATOM 5093 H1 WAT A1698 15.931 15.238 5.220 1.00 0.00 H +ATOM 5094 H2 WAT A1698 14.559 15.807 5.515 1.00 0.00 H +ATOM 5095 O1 WAT A1699 24.207 29.872 17.263 1.00 0.00 O +ATOM 5096 H1 WAT A1699 24.970 30.387 17.526 1.00 0.00 H +ATOM 5097 H2 WAT A1699 23.632 30.500 16.828 1.00 0.00 H +ATOM 5098 O1 WAT A1700 18.455 8.541 3.860 1.00 0.00 O +ATOM 5099 H1 WAT A1700 19.087 9.257 3.933 1.00 0.00 H +ATOM 5100 H2 WAT A1700 17.635 8.968 3.614 1.00 0.00 H +ATOM 5101 O1 WAT A1701 1.813 14.304 34.959 1.00 0.00 O +ATOM 5102 H1 WAT A1701 1.883 13.926 35.835 1.00 0.00 H +ATOM 5103 H2 WAT A1701 0.919 14.109 34.682 1.00 0.00 H +ATOM 5104 O1 WAT A1702 33.182 1.939 10.526 1.00 0.00 O +ATOM 5105 H1 WAT A1702 32.876 1.433 9.774 1.00 0.00 H +ATOM 5106 H2 WAT A1702 32.911 1.428 11.287 1.00 0.00 H +ATOM 5107 O1 WAT A1703 23.050 3.667 31.786 1.00 0.00 O +ATOM 5108 H1 WAT A1703 23.907 3.778 31.375 1.00 0.00 H +ATOM 5109 H2 WAT A1703 23.110 2.831 32.247 1.00 0.00 H +ATOM 5110 O1 WAT A1704 15.116 35.546 8.184 1.00 0.00 O +ATOM 5111 H1 WAT A1704 15.726 34.808 8.168 1.00 0.00 H +ATOM 5112 H2 WAT A1704 15.100 35.824 9.099 1.00 0.00 H +ATOM 5113 O1 WAT A1705 12.701 28.931 16.026 1.00 0.00 O +ATOM 5114 H1 WAT A1705 13.261 29.384 15.395 1.00 0.00 H +ATOM 5115 H2 WAT A1705 11.887 28.766 15.551 1.00 0.00 H +ATOM 5116 O1 WAT A1706 37.614 19.448 22.146 1.00 0.00 O +ATOM 5117 H1 WAT A1706 37.928 19.209 23.018 1.00 0.00 H +ATOM 5118 H2 WAT A1706 38.399 19.448 21.599 1.00 0.00 H +ATOM 5119 O1 WAT A1707 31.312 35.256 3.712 1.00 0.00 O +ATOM 5120 H1 WAT A1707 31.293 34.409 4.156 1.00 0.00 H +ATOM 5121 H2 WAT A1707 32.232 35.388 3.485 1.00 0.00 H +ATOM 5122 O1 WAT A1708 34.227 20.336 16.997 1.00 0.00 O +ATOM 5123 H1 WAT A1708 34.496 20.201 16.088 1.00 0.00 H +ATOM 5124 H2 WAT A1708 34.827 21.003 17.329 1.00 0.00 H +ATOM 5125 O1 WAT A1709 31.182 36.903 34.287 1.00 0.00 O +ATOM 5126 H1 WAT A1709 31.884 37.462 33.953 1.00 0.00 H +ATOM 5127 H2 WAT A1709 31.489 36.011 34.126 1.00 0.00 H +ATOM 5128 O1 WAT A1710 13.999 3.677 17.030 1.00 0.00 O +ATOM 5129 H1 WAT A1710 13.567 2.863 17.290 1.00 0.00 H +ATOM 5130 H2 WAT A1710 14.933 3.497 17.135 1.00 0.00 H +ATOM 5131 O1 WAT A1711 15.402 36.103 30.971 1.00 0.00 O +ATOM 5132 H1 WAT A1711 15.996 36.312 31.693 1.00 0.00 H +ATOM 5133 H2 WAT A1711 15.486 36.842 30.369 1.00 0.00 H +ATOM 5134 O1 WAT A1712 22.250 12.760 36.816 1.00 0.00 O +ATOM 5135 H1 WAT A1712 21.346 13.063 36.900 1.00 0.00 H +ATOM 5136 H2 WAT A1712 22.778 13.488 37.141 1.00 0.00 H +ATOM 5137 O1 WAT A1713 16.191 16.068 30.860 1.00 0.00 O +ATOM 5138 H1 WAT A1713 16.402 16.939 30.522 1.00 0.00 H +ATOM 5139 H2 WAT A1713 16.147 16.182 31.809 1.00 0.00 H +ATOM 5140 O1 WAT A1714 9.012 25.303 29.338 1.00 0.00 O +ATOM 5141 H1 WAT A1714 9.458 26.145 29.425 1.00 0.00 H +ATOM 5142 H2 WAT A1714 9.710 24.652 29.406 1.00 0.00 H +ATOM 5143 O1 WAT A1715 35.296 35.275 13.662 1.00 0.00 O +ATOM 5144 H1 WAT A1715 34.499 35.803 13.731 1.00 0.00 H +ATOM 5145 H2 WAT A1715 35.472 34.988 14.557 1.00 0.00 H +ATOM 5146 O1 WAT A1716 24.501 13.329 1.903 1.00 0.00 O +ATOM 5147 H1 WAT A1716 24.296 12.625 2.518 1.00 0.00 H +ATOM 5148 H2 WAT A1716 25.289 13.737 2.259 1.00 0.00 H +ATOM 5149 O1 WAT A1717 10.171 19.367 3.126 1.00 0.00 O +ATOM 5150 H1 WAT A1717 9.698 18.572 3.371 1.00 0.00 H +ATOM 5151 H2 WAT A1717 9.486 20.018 2.975 1.00 0.00 H +ATOM 5152 O1 WAT A1718 8.140 0.164 20.902 1.00 0.00 O +ATOM 5153 H1 WAT A1718 7.824 0.000 21.791 1.00 0.00 H +ATOM 5154 H2 WAT A1718 9.052 0.430 21.017 1.00 0.00 H +ATOM 5155 O1 WAT A1719 31.513 18.459 18.314 1.00 0.00 O +ATOM 5156 H1 WAT A1719 32.220 19.048 18.050 1.00 0.00 H +ATOM 5157 H2 WAT A1719 30.855 19.033 18.706 1.00 0.00 H +ATOM 5158 O1 WAT A1720 25.522 22.596 22.579 1.00 0.00 O +ATOM 5159 H1 WAT A1720 25.406 23.329 21.975 1.00 0.00 H +ATOM 5160 H2 WAT A1720 24.704 22.561 23.074 1.00 0.00 H +ATOM 5161 O1 WAT A1721 26.737 1.506 9.663 1.00 0.00 O +ATOM 5162 H1 WAT A1721 25.916 1.332 9.204 1.00 0.00 H +ATOM 5163 H2 WAT A1721 26.571 2.307 10.158 1.00 0.00 H +ATOM 5164 O1 WAT A1722 7.238 24.285 30.954 1.00 0.00 O +ATOM 5165 H1 WAT A1722 7.608 23.473 30.608 1.00 0.00 H +ATOM 5166 H2 WAT A1722 6.831 24.706 30.197 1.00 0.00 H +ATOM 5167 O1 WAT A1723 6.362 20.085 18.539 1.00 0.00 O +ATOM 5168 H1 WAT A1723 6.990 20.668 18.112 1.00 0.00 H +ATOM 5169 H2 WAT A1723 6.867 19.647 19.224 1.00 0.00 H +ATOM 5170 O1 WAT A1724 14.470 0.522 36.479 1.00 0.00 O +ATOM 5171 H1 WAT A1724 15.096 0.003 35.974 1.00 0.00 H +ATOM 5172 H2 WAT A1724 13.615 0.279 36.125 1.00 0.00 H +ATOM 5173 O1 WAT A1725 30.477 37.493 29.628 1.00 0.00 O +ATOM 5174 H1 WAT A1725 31.317 37.042 29.536 1.00 0.00 H +ATOM 5175 H2 WAT A1725 30.661 38.397 29.374 1.00 0.00 H +ATOM 5176 O1 WAT A1726 19.445 10.804 21.654 1.00 0.00 O +ATOM 5177 H1 WAT A1726 18.588 10.396 21.525 1.00 0.00 H +ATOM 5178 H2 WAT A1726 19.798 10.379 22.435 1.00 0.00 H +ATOM 5179 O1 WAT A1727 14.800 17.058 15.227 1.00 0.00 O +ATOM 5180 H1 WAT A1727 15.708 16.821 15.036 1.00 0.00 H +ATOM 5181 H2 WAT A1727 14.375 17.088 14.370 1.00 0.00 H +ATOM 5182 O1 WAT A1728 11.072 4.574 2.317 1.00 0.00 O +ATOM 5183 H1 WAT A1728 10.830 5.344 1.801 1.00 0.00 H +ATOM 5184 H2 WAT A1728 10.930 4.839 3.225 1.00 0.00 H +ATOM 5185 O1 WAT A1729 19.239 25.277 32.674 1.00 0.00 O +ATOM 5186 H1 WAT A1729 19.110 25.908 33.383 1.00 0.00 H +ATOM 5187 H2 WAT A1729 19.314 24.432 33.116 1.00 0.00 H +ATOM 5188 O1 WAT A1730 31.030 2.112 3.441 1.00 0.00 O +ATOM 5189 H1 WAT A1730 30.951 1.226 3.795 1.00 0.00 H +ATOM 5190 H2 WAT A1730 31.582 2.013 2.666 1.00 0.00 H +ATOM 5191 O1 WAT A1731 19.937 1.935 14.882 1.00 0.00 O +ATOM 5192 H1 WAT A1731 19.502 2.244 15.677 1.00 0.00 H +ATOM 5193 H2 WAT A1731 20.816 2.311 14.927 1.00 0.00 H +ATOM 5194 O1 WAT A1732 1.208 24.005 10.257 1.00 0.00 O +ATOM 5195 H1 WAT A1732 0.846 24.460 11.017 1.00 0.00 H +ATOM 5196 H2 WAT A1732 0.459 23.553 9.868 1.00 0.00 H +ATOM 5197 O1 WAT A1733 6.189 28.681 27.250 1.00 0.00 O +ATOM 5198 H1 WAT A1733 6.000 29.619 27.273 1.00 0.00 H +ATOM 5199 H2 WAT A1733 5.361 28.275 26.994 1.00 0.00 H +ATOM 5200 O1 WAT A1734 11.558 25.727 29.938 1.00 0.00 O +ATOM 5201 H1 WAT A1734 11.955 25.237 30.658 1.00 0.00 H +ATOM 5202 H2 WAT A1734 12.293 25.959 29.371 1.00 0.00 H +ATOM 5203 O1 WAT A1735 18.052 26.477 30.102 1.00 0.00 O +ATOM 5204 H1 WAT A1735 18.329 26.437 31.018 1.00 0.00 H +ATOM 5205 H2 WAT A1735 18.092 25.570 29.799 1.00 0.00 H +ATOM 5206 O1 WAT A1736 18.867 13.015 25.213 1.00 0.00 O +ATOM 5207 H1 WAT A1736 19.388 12.315 24.819 1.00 0.00 H +ATOM 5208 H2 WAT A1736 18.873 12.822 26.150 1.00 0.00 H +ATOM 5209 O1 WAT A1737 13.205 12.779 37.380 1.00 0.00 O +ATOM 5210 H1 WAT A1737 13.643 12.001 37.034 1.00 0.00 H +ATOM 5211 H2 WAT A1737 13.900 13.272 37.814 1.00 0.00 H +ATOM 5212 O1 WAT A1738 1.470 2.298 20.041 1.00 0.00 O +ATOM 5213 H1 WAT A1738 2.398 2.510 19.938 1.00 0.00 H +ATOM 5214 H2 WAT A1738 1.461 1.372 20.283 1.00 0.00 H +ATOM 5215 O1 WAT A1739 11.987 5.843 13.328 1.00 0.00 O +ATOM 5216 H1 WAT A1739 11.637 6.003 12.452 1.00 0.00 H +ATOM 5217 H2 WAT A1739 11.802 6.647 13.812 1.00 0.00 H +ATOM 5218 O1 WAT A1740 21.606 12.774 2.202 1.00 0.00 O +ATOM 5219 H1 WAT A1740 20.899 12.505 2.789 1.00 0.00 H +ATOM 5220 H2 WAT A1740 22.206 13.269 2.760 1.00 0.00 H +ATOM 5221 O1 WAT A1741 7.710 1.472 0.400 1.00 0.00 O +ATOM 5222 H1 WAT A1741 6.818 1.128 0.354 1.00 0.00 H +ATOM 5223 H2 WAT A1741 7.653 2.343 0.009 1.00 0.00 H +ATOM 5224 O1 WAT A1742 19.558 25.584 15.972 1.00 0.00 O +ATOM 5225 H1 WAT A1742 19.914 24.854 16.479 1.00 0.00 H +ATOM 5226 H2 WAT A1742 20.304 25.922 15.479 1.00 0.00 H +ATOM 5227 O1 WAT A1743 9.356 13.149 17.506 1.00 0.00 O +ATOM 5228 H1 WAT A1743 8.550 13.665 17.545 1.00 0.00 H +ATOM 5229 H2 WAT A1743 9.071 12.248 17.660 1.00 0.00 H +ATOM 5230 O1 WAT A1744 38.005 12.446 23.611 1.00 0.00 O +ATOM 5231 H1 WAT A1744 38.376 11.567 23.538 1.00 0.00 H +ATOM 5232 H2 WAT A1744 38.398 12.933 22.887 1.00 0.00 H +ATOM 5233 O1 WAT A1745 6.842 17.974 20.864 1.00 0.00 O +ATOM 5234 H1 WAT A1745 6.142 17.329 20.964 1.00 0.00 H +ATOM 5235 H2 WAT A1745 6.475 18.784 21.217 1.00 0.00 H +ATOM 5236 O1 WAT A1746 4.510 22.666 12.411 1.00 0.00 O +ATOM 5237 H1 WAT A1746 5.367 22.327 12.672 1.00 0.00 H +ATOM 5238 H2 WAT A1746 3.914 21.927 12.525 1.00 0.00 H +ATOM 5239 O1 WAT A1747 7.317 2.215 5.863 1.00 0.00 O +ATOM 5240 H1 WAT A1747 8.025 2.729 5.474 1.00 0.00 H +ATOM 5241 H2 WAT A1747 7.747 1.426 6.193 1.00 0.00 H +ATOM 5242 O1 WAT A1748 32.177 16.882 26.788 1.00 0.00 O +ATOM 5243 H1 WAT A1748 33.108 17.102 26.744 1.00 0.00 H +ATOM 5244 H2 WAT A1748 32.145 16.076 27.302 1.00 0.00 H +ATOM 5245 O1 WAT A1749 15.624 20.472 18.302 1.00 0.00 O +ATOM 5246 H1 WAT A1749 16.414 20.988 18.143 1.00 0.00 H +ATOM 5247 H2 WAT A1749 14.917 20.992 17.922 1.00 0.00 H +ATOM 5248 O1 WAT A1750 3.957 16.495 11.261 1.00 0.00 O +ATOM 5249 H1 WAT A1750 3.278 15.861 11.030 1.00 0.00 H +ATOM 5250 H2 WAT A1750 4.296 16.802 10.420 1.00 0.00 H +ATOM 5251 O1 WAT A1751 26.583 37.711 36.281 1.00 0.00 O +ATOM 5252 H1 WAT A1751 25.945 38.400 36.469 1.00 0.00 H +ATOM 5253 H2 WAT A1751 26.053 36.949 36.050 1.00 0.00 H +ATOM 5254 O1 WAT A1752 23.735 3.521 9.110 1.00 0.00 O +ATOM 5255 H1 WAT A1752 23.726 2.605 8.831 1.00 0.00 H +ATOM 5256 H2 WAT A1752 24.663 3.746 9.166 1.00 0.00 H +ATOM 5257 O1 WAT A1753 29.001 33.743 38.107 1.00 0.00 O +ATOM 5258 H1 WAT A1753 29.954 33.833 38.106 1.00 0.00 H +ATOM 5259 H2 WAT A1753 28.705 34.313 37.397 1.00 0.00 H +ATOM 5260 O1 WAT A1754 18.953 24.486 28.079 1.00 0.00 O +ATOM 5261 H1 WAT A1754 19.879 24.290 28.222 1.00 0.00 H +ATOM 5262 H2 WAT A1754 18.946 25.377 27.732 1.00 0.00 H +ATOM 5263 O1 WAT A1755 5.023 32.642 15.455 1.00 0.00 O +ATOM 5264 H1 WAT A1755 4.365 32.086 15.872 1.00 0.00 H +ATOM 5265 H2 WAT A1755 4.521 33.222 14.884 1.00 0.00 H +ATOM 5266 O1 WAT A1756 13.238 35.159 29.902 1.00 0.00 O +ATOM 5267 H1 WAT A1756 14.034 34.626 29.891 1.00 0.00 H +ATOM 5268 H2 WAT A1756 13.534 36.038 29.668 1.00 0.00 H +ATOM 5269 O1 WAT A1757 5.541 25.017 13.321 1.00 0.00 O +ATOM 5270 H1 WAT A1757 4.640 24.715 13.204 1.00 0.00 H +ATOM 5271 H2 WAT A1757 5.458 25.943 13.545 1.00 0.00 H +ATOM 5272 O1 WAT A1758 30.625 19.546 36.110 1.00 0.00 O +ATOM 5273 H1 WAT A1758 30.886 19.287 35.226 1.00 0.00 H +ATOM 5274 H2 WAT A1758 30.265 20.426 36.006 1.00 0.00 H +ATOM 5275 O1 WAT A1759 0.798 7.136 8.943 1.00 0.00 O +ATOM 5276 H1 WAT A1759 0.000 7.665 8.920 1.00 0.00 H +ATOM 5277 H2 WAT A1759 0.510 6.256 8.702 1.00 0.00 H +ATOM 5278 O1 WAT A1760 0.262 15.298 10.829 1.00 0.00 O +ATOM 5279 H1 WAT A1760 0.543 14.386 10.751 1.00 0.00 H +ATOM 5280 H2 WAT A1760 1.008 15.807 10.512 1.00 0.00 H +ATOM 5281 O1 WAT A1761 16.082 3.512 29.393 1.00 0.00 O +ATOM 5282 H1 WAT A1761 16.946 3.111 29.483 1.00 0.00 H +ATOM 5283 H2 WAT A1761 15.467 2.793 29.532 1.00 0.00 H +ATOM 5284 O1 WAT A1762 31.310 0.009 1.063 1.00 0.00 O +ATOM 5285 H1 WAT A1762 30.983 0.015 1.963 1.00 0.00 H +ATOM 5286 H2 WAT A1762 32.087 0.566 1.086 1.00 0.00 H +ATOM 5287 O1 WAT A1763 36.503 13.961 21.188 1.00 0.00 O +ATOM 5288 H1 WAT A1763 36.524 13.775 22.127 1.00 0.00 H +ATOM 5289 H2 WAT A1763 36.767 13.140 20.774 1.00 0.00 H +ATOM 5290 O1 WAT A1764 23.083 30.803 21.469 1.00 0.00 O +ATOM 5291 H1 WAT A1764 22.791 30.441 22.306 1.00 0.00 H +ATOM 5292 H2 WAT A1764 22.276 31.059 21.023 1.00 0.00 H +ATOM 5293 O1 WAT A1765 25.120 20.387 33.304 1.00 0.00 O +ATOM 5294 H1 WAT A1765 25.710 21.078 33.004 1.00 0.00 H +ATOM 5295 H2 WAT A1765 24.243 20.728 33.132 1.00 0.00 H +ATOM 5296 O1 WAT A1766 36.981 6.894 31.030 1.00 0.00 O +ATOM 5297 H1 WAT A1766 37.526 6.246 30.584 1.00 0.00 H +ATOM 5298 H2 WAT A1766 36.117 6.488 31.080 1.00 0.00 H +ATOM 5299 O1 WAT A1767 10.421 33.851 20.868 1.00 0.00 O +ATOM 5300 H1 WAT A1767 10.605 33.626 21.780 1.00 0.00 H +ATOM 5301 H2 WAT A1767 9.541 34.226 20.885 1.00 0.00 H +ATOM 5302 O1 WAT A1768 27.924 6.503 0.252 1.00 0.00 O +ATOM 5303 H1 WAT A1768 27.075 6.129 0.015 1.00 0.00 H +ATOM 5304 H2 WAT A1768 27.708 7.302 0.732 1.00 0.00 H +ATOM 5305 O1 WAT A1769 11.094 6.079 37.475 1.00 0.00 O +ATOM 5306 H1 WAT A1769 11.757 5.916 36.804 1.00 0.00 H +ATOM 5307 H2 WAT A1769 10.266 6.095 36.995 1.00 0.00 H +ATOM 5308 O1 WAT A1770 28.920 12.698 21.234 1.00 0.00 O +ATOM 5309 H1 WAT A1770 29.856 12.897 21.265 1.00 0.00 H +ATOM 5310 H2 WAT A1770 28.490 13.543 21.358 1.00 0.00 H +ATOM 5311 O1 WAT A1771 25.097 36.349 38.399 1.00 0.00 O +ATOM 5312 H1 WAT A1771 24.165 36.129 38.384 1.00 0.00 H +ATOM 5313 H2 WAT A1771 25.535 35.560 38.080 1.00 0.00 H +ATOM 5314 O1 WAT A1772 26.146 4.048 37.198 1.00 0.00 O +ATOM 5315 H1 WAT A1772 26.939 3.541 37.023 1.00 0.00 H +ATOM 5316 H2 WAT A1772 25.442 3.538 36.798 1.00 0.00 H +ATOM 5317 O1 WAT A1773 27.562 3.470 19.053 1.00 0.00 O +ATOM 5318 H1 WAT A1773 27.775 2.555 18.869 1.00 0.00 H +ATOM 5319 H2 WAT A1773 28.355 3.826 19.451 1.00 0.00 H +ATOM 5320 O1 WAT A1774 27.532 13.333 31.602 1.00 0.00 O +ATOM 5321 H1 WAT A1774 27.874 13.659 30.770 1.00 0.00 H +ATOM 5322 H2 WAT A1774 27.640 12.384 31.551 1.00 0.00 H +ATOM 5323 O1 WAT A1775 34.689 12.345 4.633 1.00 0.00 O +ATOM 5324 H1 WAT A1775 34.921 11.567 5.141 1.00 0.00 H +ATOM 5325 H2 WAT A1775 35.392 12.431 3.991 1.00 0.00 H +ATOM 5326 O1 WAT A1776 35.739 31.866 25.928 1.00 0.00 O +ATOM 5327 H1 WAT A1776 35.225 32.399 25.322 1.00 0.00 H +ATOM 5328 H2 WAT A1776 35.706 32.344 26.756 1.00 0.00 H +ATOM 5329 O1 WAT A1777 24.588 22.329 12.584 1.00 0.00 O +ATOM 5330 H1 WAT A1777 23.730 21.987 12.838 1.00 0.00 H +ATOM 5331 H2 WAT A1777 24.591 23.230 12.904 1.00 0.00 H +ATOM 5332 O1 WAT A1778 8.044 20.654 15.800 1.00 0.00 O +ATOM 5333 H1 WAT A1778 8.663 20.334 16.456 1.00 0.00 H +ATOM 5334 H2 WAT A1778 7.710 21.473 16.164 1.00 0.00 H +ATOM 5335 O1 WAT A1779 2.548 12.523 8.413 1.00 0.00 O +ATOM 5336 H1 WAT A1779 1.615 12.615 8.222 1.00 0.00 H +ATOM 5337 H2 WAT A1779 2.760 13.286 8.950 1.00 0.00 H +ATOM 5338 O1 WAT A1780 33.875 29.083 21.794 1.00 0.00 O +ATOM 5339 H1 WAT A1780 34.344 28.248 21.828 1.00 0.00 H +ATOM 5340 H2 WAT A1780 33.348 29.029 20.997 1.00 0.00 H +ATOM 5341 O1 WAT A1781 20.682 16.263 29.483 1.00 0.00 O +ATOM 5342 H1 WAT A1781 19.826 15.851 29.601 1.00 0.00 H +ATOM 5343 H2 WAT A1781 21.280 15.532 29.329 1.00 0.00 H +ATOM 5344 O1 WAT A1782 12.168 26.075 38.239 1.00 0.00 O +ATOM 5345 H1 WAT A1782 11.869 26.970 38.400 1.00 0.00 H +ATOM 5346 H2 WAT A1782 11.386 25.610 37.943 1.00 0.00 H +ATOM 5347 O1 WAT A1783 5.343 33.528 12.667 1.00 0.00 O +ATOM 5348 H1 WAT A1783 4.568 32.967 12.698 1.00 0.00 H +ATOM 5349 H2 WAT A1783 5.062 34.348 13.073 1.00 0.00 H +ATOM 5350 O1 WAT A1784 35.178 36.182 23.694 1.00 0.00 O +ATOM 5351 H1 WAT A1784 35.837 35.831 24.292 1.00 0.00 H +ATOM 5352 H2 WAT A1784 34.416 36.349 24.247 1.00 0.00 H +ATOM 5353 O1 WAT A1785 21.588 33.321 19.077 1.00 0.00 O +ATOM 5354 H1 WAT A1785 22.143 32.653 19.481 1.00 0.00 H +ATOM 5355 H2 WAT A1785 21.123 33.722 19.810 1.00 0.00 H +ATOM 5356 O1 WAT A1786 29.454 5.911 6.664 1.00 0.00 O +ATOM 5357 H1 WAT A1786 29.462 5.841 7.619 1.00 0.00 H +ATOM 5358 H2 WAT A1786 30.240 6.415 6.454 1.00 0.00 H +ATOM 5359 O1 WAT A1787 27.876 18.384 28.252 1.00 0.00 O +ATOM 5360 H1 WAT A1787 27.003 17.990 28.240 1.00 0.00 H +ATOM 5361 H2 WAT A1787 28.440 17.732 27.839 1.00 0.00 H +ATOM 5362 O1 WAT A1788 4.806 28.052 10.073 1.00 0.00 O +ATOM 5363 H1 WAT A1788 4.311 28.661 9.525 1.00 0.00 H +ATOM 5364 H2 WAT A1788 5.628 28.507 10.256 1.00 0.00 H +ATOM 5365 O1 WAT A1789 24.804 1.073 22.259 1.00 0.00 O +ATOM 5366 H1 WAT A1789 25.437 1.728 21.962 1.00 0.00 H +ATOM 5367 H2 WAT A1789 25.270 0.240 22.189 1.00 0.00 H +ATOM 5368 O1 WAT A1790 11.774 5.524 19.602 1.00 0.00 O +ATOM 5369 H1 WAT A1790 12.587 5.876 19.238 1.00 0.00 H +ATOM 5370 H2 WAT A1790 11.167 6.263 19.594 1.00 0.00 H +ATOM 5371 O1 WAT A1791 6.413 36.451 2.305 1.00 0.00 O +ATOM 5372 H1 WAT A1791 5.651 36.713 2.822 1.00 0.00 H +ATOM 5373 H2 WAT A1791 6.103 36.454 1.400 1.00 0.00 H +ATOM 5374 O1 WAT A1792 12.458 25.520 1.355 1.00 0.00 O +ATOM 5375 H1 WAT A1792 12.159 26.413 1.183 1.00 0.00 H +ATOM 5376 H2 WAT A1792 13.219 25.627 1.925 1.00 0.00 H +ATOM 5377 O1 WAT A1793 8.363 12.753 30.619 1.00 0.00 O +ATOM 5378 H1 WAT A1793 8.751 13.599 30.843 1.00 0.00 H +ATOM 5379 H2 WAT A1793 8.006 12.427 31.445 1.00 0.00 H +ATOM 5380 O1 WAT A1794 33.411 0.100 32.952 1.00 0.00 O +ATOM 5381 H1 WAT A1794 34.363 0.000 32.954 1.00 0.00 H +ATOM 5382 H2 WAT A1794 33.265 1.012 32.705 1.00 0.00 H +ATOM 5383 O1 WAT A1795 4.875 16.707 36.846 1.00 0.00 O +ATOM 5384 H1 WAT A1795 5.772 16.897 37.122 1.00 0.00 H +ATOM 5385 H2 WAT A1795 4.886 15.779 36.613 1.00 0.00 H +ATOM 5386 O1 WAT A1796 13.484 14.229 35.333 1.00 0.00 O +ATOM 5387 H1 WAT A1796 14.192 13.651 35.619 1.00 0.00 H +ATOM 5388 H2 WAT A1796 12.690 13.706 35.439 1.00 0.00 H +ATOM 5389 O1 WAT A1797 8.137 6.979 17.074 1.00 0.00 O +ATOM 5390 H1 WAT A1797 8.721 6.292 16.755 1.00 0.00 H +ATOM 5391 H2 WAT A1797 8.648 7.784 16.996 1.00 0.00 H +ATOM 5392 O1 WAT A1798 4.137 28.568 33.474 1.00 0.00 O +ATOM 5393 H1 WAT A1798 4.446 29.464 33.605 1.00 0.00 H +ATOM 5394 H2 WAT A1798 4.892 28.020 33.690 1.00 0.00 H +ATOM 5395 O1 WAT A1799 30.048 32.015 29.480 1.00 0.00 O +ATOM 5396 H1 WAT A1799 29.716 32.220 30.354 1.00 0.00 H +ATOM 5397 H2 WAT A1799 29.310 31.602 29.033 1.00 0.00 H +ATOM 5398 O1 WAT A1800 3.625 38.196 9.839 1.00 0.00 O +ATOM 5399 H1 WAT A1800 3.558 37.309 10.192 1.00 0.00 H +ATOM 5400 H2 WAT A1800 4.559 38.400 9.878 1.00 0.00 H +ATOM 5401 O1 WAT A1801 31.358 37.863 20.561 1.00 0.00 O +ATOM 5402 H1 WAT A1801 31.549 38.057 21.479 1.00 0.00 H +ATOM 5403 H2 WAT A1801 31.977 38.400 20.068 1.00 0.00 H +ATOM 5404 O1 WAT A1802 2.404 7.580 22.201 1.00 0.00 O +ATOM 5405 H1 WAT A1802 3.356 7.676 22.172 1.00 0.00 H +ATOM 5406 H2 WAT A1802 2.259 6.763 22.677 1.00 0.00 H +ATOM 5407 O1 WAT A1803 27.664 2.226 13.487 1.00 0.00 O +ATOM 5408 H1 WAT A1803 27.459 2.963 12.911 1.00 0.00 H +ATOM 5409 H2 WAT A1803 26.933 1.620 13.370 1.00 0.00 H +ATOM 5410 O1 WAT A1804 4.814 12.543 12.185 1.00 0.00 O +ATOM 5411 H1 WAT A1804 4.052 11.966 12.245 1.00 0.00 H +ATOM 5412 H2 WAT A1804 4.507 13.382 12.526 1.00 0.00 H +ATOM 5413 O1 WAT A1805 29.096 0.020 26.324 1.00 0.00 O +ATOM 5414 H1 WAT A1805 28.872 0.879 26.681 1.00 0.00 H +ATOM 5415 H2 WAT A1805 30.052 0.001 26.326 1.00 0.00 H +ATOM 5416 O1 WAT A1806 27.224 37.375 10.453 1.00 0.00 O +ATOM 5417 H1 WAT A1806 26.555 38.051 10.343 1.00 0.00 H +ATOM 5418 H2 WAT A1806 27.583 37.531 11.325 1.00 0.00 H +ATOM 5419 O1 WAT A1807 32.095 14.910 32.358 1.00 0.00 O +ATOM 5420 H1 WAT A1807 31.987 15.852 32.228 1.00 0.00 H +ATOM 5421 H2 WAT A1807 33.013 14.742 32.147 1.00 0.00 H +ATOM 5422 O1 WAT A1808 33.816 23.938 34.634 1.00 0.00 O +ATOM 5423 H1 WAT A1808 34.656 24.389 34.540 1.00 0.00 H +ATOM 5424 H2 WAT A1808 33.531 23.772 33.736 1.00 0.00 H +ATOM 5425 O1 WAT A1809 34.335 33.492 31.209 1.00 0.00 O +ATOM 5426 H1 WAT A1809 34.481 32.774 30.593 1.00 0.00 H +ATOM 5427 H2 WAT A1809 34.799 34.236 30.825 1.00 0.00 H +ATOM 5428 O1 WAT A1810 20.457 31.535 22.630 1.00 0.00 O +ATOM 5429 H1 WAT A1810 20.661 32.212 23.276 1.00 0.00 H +ATOM 5430 H2 WAT A1810 20.379 32.007 21.802 1.00 0.00 H +ATOM 5431 O1 WAT A1811 3.219 3.394 8.919 1.00 0.00 O +ATOM 5432 H1 WAT A1811 2.418 3.148 9.384 1.00 0.00 H +ATOM 5433 H2 WAT A1811 3.829 3.651 9.610 1.00 0.00 H +ATOM 5434 O1 WAT A1812 21.257 4.461 29.543 1.00 0.00 O +ATOM 5435 H1 WAT A1812 20.924 5.248 29.974 1.00 0.00 H +ATOM 5436 H2 WAT A1812 22.135 4.342 29.902 1.00 0.00 H +ATOM 5437 O1 WAT A1813 4.269 9.422 6.667 1.00 0.00 O +ATOM 5438 H1 WAT A1813 3.354 9.691 6.574 1.00 0.00 H +ATOM 5439 H2 WAT A1813 4.461 9.544 7.597 1.00 0.00 H +ATOM 5440 O1 WAT A1814 29.847 5.449 2.145 1.00 0.00 O +ATOM 5441 H1 WAT A1814 29.451 6.280 2.406 1.00 0.00 H +ATOM 5442 H2 WAT A1814 29.903 4.944 2.955 1.00 0.00 H +ATOM 5443 O1 WAT A1815 13.440 31.002 17.425 1.00 0.00 O +ATOM 5444 H1 WAT A1815 14.236 30.729 16.968 1.00 0.00 H +ATOM 5445 H2 WAT A1815 13.209 30.254 17.974 1.00 0.00 H +ATOM 5446 O1 WAT A1816 1.242 20.421 24.448 1.00 0.00 O +ATOM 5447 H1 WAT A1816 1.465 21.352 24.458 1.00 0.00 H +ATOM 5448 H2 WAT A1816 2.049 19.978 24.709 1.00 0.00 H +ATOM 5449 O1 WAT A1817 6.612 37.649 19.778 1.00 0.00 O +ATOM 5450 H1 WAT A1817 6.868 38.399 20.315 1.00 0.00 H +ATOM 5451 H2 WAT A1817 6.868 36.886 20.294 1.00 0.00 H +ATOM 5452 O1 WAT A1818 20.733 9.165 28.101 1.00 0.00 O +ATOM 5453 H1 WAT A1818 19.988 9.455 28.628 1.00 0.00 H +ATOM 5454 H2 WAT A1818 21.377 9.867 28.189 1.00 0.00 H +ATOM 5455 O1 WAT A1819 7.499 25.488 7.076 1.00 0.00 O +ATOM 5456 H1 WAT A1819 6.655 25.073 6.895 1.00 0.00 H +ATOM 5457 H2 WAT A1819 7.327 26.426 6.995 1.00 0.00 H +ATOM 5458 O1 WAT A1820 21.330 30.672 31.599 1.00 0.00 O +ATOM 5459 H1 WAT A1820 20.976 29.782 31.631 1.00 0.00 H +ATOM 5460 H2 WAT A1820 20.595 31.232 31.847 1.00 0.00 H +ATOM 5461 O1 WAT A1821 18.914 28.758 12.250 1.00 0.00 O +ATOM 5462 H1 WAT A1821 18.039 28.752 12.638 1.00 0.00 H +ATOM 5463 H2 WAT A1821 19.127 29.685 12.152 1.00 0.00 H +ATOM 5464 O1 WAT A1822 28.525 6.000 32.728 1.00 0.00 O +ATOM 5465 H1 WAT A1822 29.413 6.027 33.085 1.00 0.00 H +ATOM 5466 H2 WAT A1822 28.098 5.284 33.198 1.00 0.00 H +ATOM 5467 O1 WAT A1823 28.192 21.793 34.129 1.00 0.00 O +ATOM 5468 H1 WAT A1823 28.859 22.472 34.230 1.00 0.00 H +ATOM 5469 H2 WAT A1823 27.543 22.178 33.540 1.00 0.00 H +ATOM 5470 O1 WAT A1824 29.788 35.565 28.852 1.00 0.00 O +ATOM 5471 H1 WAT A1824 28.850 35.615 29.038 1.00 0.00 H +ATOM 5472 H2 WAT A1824 29.857 34.936 28.135 1.00 0.00 H +ATOM 5473 O1 WAT A1825 24.465 19.243 25.845 1.00 0.00 O +ATOM 5474 H1 WAT A1825 24.039 18.439 25.548 1.00 0.00 H +ATOM 5475 H2 WAT A1825 23.972 19.502 26.624 1.00 0.00 H +ATOM 5476 O1 WAT A1826 34.354 29.124 10.370 1.00 0.00 O +ATOM 5477 H1 WAT A1826 34.907 28.636 9.759 1.00 0.00 H +ATOM 5478 H2 WAT A1826 33.814 28.457 10.792 1.00 0.00 H +ATOM 5479 O1 WAT A1827 8.194 37.819 34.381 1.00 0.00 O +ATOM 5480 H1 WAT A1827 8.853 38.400 34.760 1.00 0.00 H +ATOM 5481 H2 WAT A1827 7.472 38.398 34.141 1.00 0.00 H +ATOM 5482 O1 WAT A1828 9.570 4.810 22.778 1.00 0.00 O +ATOM 5483 H1 WAT A1828 9.098 4.079 23.177 1.00 0.00 H +ATOM 5484 H2 WAT A1828 8.961 5.545 22.828 1.00 0.00 H +ATOM 5485 O1 WAT A1829 34.542 10.765 12.648 1.00 0.00 O +ATOM 5486 H1 WAT A1829 34.363 9.922 12.232 1.00 0.00 H +ATOM 5487 H2 WAT A1829 33.708 11.020 13.042 1.00 0.00 H +ATOM 5488 O1 WAT A1830 12.057 38.060 34.401 1.00 0.00 O +ATOM 5489 H1 WAT A1830 12.941 38.401 34.536 1.00 0.00 H +ATOM 5490 H2 WAT A1830 11.865 37.569 35.199 1.00 0.00 H +ATOM 5491 O1 WAT A1831 0.229 6.698 20.323 1.00 0.00 O +ATOM 5492 H1 WAT A1831 1.145 6.873 20.540 1.00 0.00 H +ATOM 5493 H2 WAT A1831 0.062 7.227 19.544 1.00 0.00 H +ATOM 5494 O1 WAT A1832 12.085 35.705 6.281 1.00 0.00 O +ATOM 5495 H1 WAT A1832 11.873 36.623 6.453 1.00 0.00 H +ATOM 5496 H2 WAT A1832 12.951 35.582 6.667 1.00 0.00 H +ATOM 5497 O1 WAT A1833 14.418 20.007 37.562 1.00 0.00 O +ATOM 5498 H1 WAT A1833 14.189 20.706 36.949 1.00 0.00 H +ATOM 5499 H2 WAT A1833 14.022 19.220 37.189 1.00 0.00 H +ATOM 5500 O1 WAT A1834 21.387 15.888 35.309 1.00 0.00 O +ATOM 5501 H1 WAT A1834 21.575 15.851 34.371 1.00 0.00 H +ATOM 5502 H2 WAT A1834 21.609 15.015 35.633 1.00 0.00 H +ATOM 5503 O1 WAT A1835 35.877 17.029 28.989 1.00 0.00 O +ATOM 5504 H1 WAT A1835 35.430 16.653 29.748 1.00 0.00 H +ATOM 5505 H2 WAT A1835 35.890 16.323 28.344 1.00 0.00 H +ATOM 5506 O1 WAT A1836 38.098 17.436 9.429 1.00 0.00 O +ATOM 5507 H1 WAT A1836 37.313 17.201 9.925 1.00 0.00 H +ATOM 5508 H2 WAT A1836 37.871 17.254 8.518 1.00 0.00 H +ATOM 5509 O1 WAT A1837 17.309 30.714 20.704 1.00 0.00 O +ATOM 5510 H1 WAT A1837 16.973 31.583 20.486 1.00 0.00 H +ATOM 5511 H2 WAT A1837 16.527 30.175 20.815 1.00 0.00 H +ATOM 5512 O1 WAT A1838 35.219 2.602 6.466 1.00 0.00 O +ATOM 5513 H1 WAT A1838 35.971 2.202 6.030 1.00 0.00 H +ATOM 5514 H2 WAT A1838 34.470 2.077 6.186 1.00 0.00 H +ATOM 5515 O1 WAT A1839 0.847 29.775 12.453 1.00 0.00 O +ATOM 5516 H1 WAT A1839 0.623 28.917 12.091 1.00 0.00 H +ATOM 5517 H2 WAT A1839 0.032 30.273 12.413 1.00 0.00 H +ATOM 5518 O1 WAT A1840 0.004 2.623 7.643 1.00 0.00 O +ATOM 5519 H1 WAT A1840 0.920 2.901 7.629 1.00 0.00 H +ATOM 5520 H2 WAT A1840 0.001 1.834 8.184 1.00 0.00 H +ATOM 5521 O1 WAT A1841 18.089 16.776 20.539 1.00 0.00 O +ATOM 5522 H1 WAT A1841 17.361 16.745 19.918 1.00 0.00 H +ATOM 5523 H2 WAT A1841 17.834 17.444 21.174 1.00 0.00 H +ATOM 5524 O1 WAT A1842 1.570 24.144 23.710 1.00 0.00 O +ATOM 5525 H1 WAT A1842 1.851 24.193 24.624 1.00 0.00 H +ATOM 5526 H2 WAT A1842 2.378 24.007 23.217 1.00 0.00 H +ATOM 5527 O1 WAT A1843 37.840 7.024 16.967 1.00 0.00 O +ATOM 5528 H1 WAT A1843 38.398 7.801 16.978 1.00 0.00 H +ATOM 5529 H2 WAT A1843 38.399 6.321 17.297 1.00 0.00 H +ATOM 5530 O1 WAT A1844 10.009 29.750 31.489 1.00 0.00 O +ATOM 5531 H1 WAT A1844 10.809 29.476 31.039 1.00 0.00 H +ATOM 5532 H2 WAT A1844 10.031 29.283 32.323 1.00 0.00 H +ATOM 5533 O1 WAT A1845 36.285 22.490 25.777 1.00 0.00 O +ATOM 5534 H1 WAT A1845 35.431 22.596 25.358 1.00 0.00 H +ATOM 5535 H2 WAT A1845 36.722 21.812 25.263 1.00 0.00 H +ATOM 5536 O1 WAT A1846 10.187 26.814 8.765 1.00 0.00 O +ATOM 5537 H1 WAT A1846 10.852 26.243 8.381 1.00 0.00 H +ATOM 5538 H2 WAT A1846 9.464 26.227 8.984 1.00 0.00 H +ATOM 5539 O1 WAT A1847 3.591 33.698 4.744 1.00 0.00 O +ATOM 5540 H1 WAT A1847 2.808 33.450 4.250 1.00 0.00 H +ATOM 5541 H2 WAT A1847 3.460 34.623 4.952 1.00 0.00 H +ATOM 5542 O1 WAT A1848 11.621 37.849 4.640 1.00 0.00 O +ATOM 5543 H1 WAT A1848 10.710 37.677 4.882 1.00 0.00 H +ATOM 5544 H2 WAT A1848 11.603 37.937 3.688 1.00 0.00 H +ATOM 5545 O1 WAT A1849 5.899 35.750 33.950 1.00 0.00 O +ATOM 5546 H1 WAT A1849 5.230 35.892 33.281 1.00 0.00 H +ATOM 5547 H2 WAT A1849 5.467 35.974 34.774 1.00 0.00 H +ATOM 5548 O1 WAT A1850 35.462 19.059 31.816 1.00 0.00 O +ATOM 5549 H1 WAT A1850 35.259 19.715 31.149 1.00 0.00 H +ATOM 5550 H2 WAT A1850 34.876 18.329 31.622 1.00 0.00 H +ATOM 5551 O1 WAT A1851 7.291 34.191 28.186 1.00 0.00 O +ATOM 5552 H1 WAT A1851 7.772 34.236 27.359 1.00 0.00 H +ATOM 5553 H2 WAT A1851 7.788 33.573 28.720 1.00 0.00 H +ATOM 5554 O1 WAT A1852 0.870 3.994 4.616 1.00 0.00 O +ATOM 5555 H1 WAT A1852 0.000 3.783 4.277 1.00 0.00 H +ATOM 5556 H2 WAT A1852 0.759 4.016 5.566 1.00 0.00 H +ATOM 5557 O1 WAT A1853 20.229 27.052 10.539 1.00 0.00 O +ATOM 5558 H1 WAT A1853 19.365 27.464 10.524 1.00 0.00 H +ATOM 5559 H2 WAT A1853 20.399 26.819 9.627 1.00 0.00 H +ATOM 5560 O1 WAT A1854 0.858 16.361 37.223 1.00 0.00 O +ATOM 5561 H1 WAT A1854 0.001 16.786 37.243 1.00 0.00 H +ATOM 5562 H2 WAT A1854 0.706 15.533 36.769 1.00 0.00 H +ATOM 5563 O1 WAT A1855 2.451 30.098 7.170 1.00 0.00 O +ATOM 5564 H1 WAT A1855 1.925 30.832 7.486 1.00 0.00 H +ATOM 5565 H2 WAT A1855 2.611 30.296 6.248 1.00 0.00 H +ATOM 5566 O1 WAT A1856 7.251 22.740 3.428 1.00 0.00 O +ATOM 5567 H1 WAT A1856 7.966 23.318 3.162 1.00 0.00 H +ATOM 5568 H2 WAT A1856 6.672 23.296 3.948 1.00 0.00 H +ATOM 5569 O1 WAT A1857 33.581 34.634 34.497 1.00 0.00 O +ATOM 5570 H1 WAT A1857 34.373 35.127 34.282 1.00 0.00 H +ATOM 5571 H2 WAT A1857 33.762 34.251 35.354 1.00 0.00 H +ATOM 5572 O1 WAT A1858 6.848 22.617 25.879 1.00 0.00 O +ATOM 5573 H1 WAT A1858 7.426 23.296 25.531 1.00 0.00 H +ATOM 5574 H2 WAT A1858 7.440 21.977 26.273 1.00 0.00 H +ATOM 5575 O1 WAT A1859 14.007 11.656 25.271 1.00 0.00 O +ATOM 5576 H1 WAT A1859 14.858 11.604 25.706 1.00 0.00 H +ATOM 5577 H2 WAT A1859 13.469 12.185 25.858 1.00 0.00 H +ATOM 5578 O1 WAT A1860 16.502 11.565 29.093 1.00 0.00 O +ATOM 5579 H1 WAT A1860 16.507 10.721 29.547 1.00 0.00 H +ATOM 5580 H2 WAT A1860 16.877 12.179 29.723 1.00 0.00 H +ATOM 5581 O1 WAT A1861 23.331 34.659 36.752 1.00 0.00 O +ATOM 5582 H1 WAT A1861 23.152 34.327 37.632 1.00 0.00 H +ATOM 5583 H2 WAT A1861 24.267 34.507 36.623 1.00 0.00 H +ATOM 5584 O1 WAT A1862 0.000 4.792 18.667 1.00 0.00 O +ATOM 5585 H1 WAT A1862 0.003 3.926 18.261 1.00 0.00 H +ATOM 5586 H2 WAT A1862 0.151 4.622 19.597 1.00 0.00 H +ATOM 5587 O1 WAT A1863 0.043 13.271 22.719 1.00 0.00 O +ATOM 5588 H1 WAT A1863 0.021 14.193 22.976 1.00 0.00 H +ATOM 5589 H2 WAT A1863 0.000 13.287 21.763 1.00 0.00 H +ATOM 5590 O1 WAT A1864 32.312 30.791 16.472 1.00 0.00 O +ATOM 5591 H1 WAT A1864 33.136 30.896 16.947 1.00 0.00 H +ATOM 5592 H2 WAT A1864 32.260 29.855 16.283 1.00 0.00 H +ATOM 5593 O1 WAT A1865 3.695 3.989 25.666 1.00 0.00 O +ATOM 5594 H1 WAT A1865 4.363 3.303 25.668 1.00 0.00 H +ATOM 5595 H2 WAT A1865 3.667 4.301 26.570 1.00 0.00 H +ATOM 5596 O1 WAT A1866 19.071 13.761 0.716 1.00 0.00 O +ATOM 5597 H1 WAT A1866 18.495 14.032 0.001 1.00 0.00 H +ATOM 5598 H2 WAT A1866 19.891 13.519 0.285 1.00 0.00 H +ATOM 5599 O1 WAT A1867 34.567 5.707 20.165 1.00 0.00 O +ATOM 5600 H1 WAT A1867 35.044 4.912 20.403 1.00 0.00 H +ATOM 5601 H2 WAT A1867 34.174 6.005 20.984 1.00 0.00 H +ATOM 5602 O1 WAT A1868 14.368 1.288 12.198 1.00 0.00 O +ATOM 5603 H1 WAT A1868 14.242 1.094 11.269 1.00 0.00 H +ATOM 5604 H2 WAT A1868 14.167 0.466 12.644 1.00 0.00 H +ATOM 5605 O1 WAT A1869 23.085 33.035 21.550 1.00 0.00 O +ATOM 5606 H1 WAT A1869 22.532 32.844 22.307 1.00 0.00 H +ATOM 5607 H2 WAT A1869 23.459 33.896 21.736 1.00 0.00 H +ATOM 5608 O1 WAT A1870 13.394 35.260 15.154 1.00 0.00 O +ATOM 5609 H1 WAT A1870 14.069 34.583 15.205 1.00 0.00 H +ATOM 5610 H2 WAT A1870 12.618 34.854 15.537 1.00 0.00 H +ATOM 5611 O1 WAT A1871 37.042 6.220 25.685 1.00 0.00 O +ATOM 5612 H1 WAT A1871 37.778 5.761 26.090 1.00 0.00 H +ATOM 5613 H2 WAT A1871 36.894 6.979 26.247 1.00 0.00 H +ATOM 5614 O1 WAT A1872 10.103 21.960 29.736 1.00 0.00 O +ATOM 5615 H1 WAT A1872 9.539 22.470 29.155 1.00 0.00 H +ATOM 5616 H2 WAT A1872 10.549 22.614 30.273 1.00 0.00 H +ATOM 5617 O1 WAT A1873 20.801 19.798 3.692 1.00 0.00 O +ATOM 5618 H1 WAT A1873 20.825 19.403 2.820 1.00 0.00 H +ATOM 5619 H2 WAT A1873 19.916 20.154 3.770 1.00 0.00 H +ATOM 5620 O1 WAT A1874 10.987 31.910 37.573 1.00 0.00 O +ATOM 5621 H1 WAT A1874 11.618 32.482 38.011 1.00 0.00 H +ATOM 5622 H2 WAT A1874 10.381 32.509 37.139 1.00 0.00 H +ATOM 5623 O1 WAT A1875 15.833 0.890 19.402 1.00 0.00 O +ATOM 5624 H1 WAT A1875 14.968 1.301 19.408 1.00 0.00 H +ATOM 5625 H2 WAT A1875 15.673 0.000 19.089 1.00 0.00 H +ATOM 5626 O1 WAT A1876 14.087 9.382 11.941 1.00 0.00 O +ATOM 5627 H1 WAT A1876 13.138 9.259 11.967 1.00 0.00 H +ATOM 5628 H2 WAT A1876 14.228 10.246 12.326 1.00 0.00 H +ATOM 5629 O1 WAT A1877 27.382 11.707 8.514 1.00 0.00 O +ATOM 5630 H1 WAT A1877 27.931 11.025 8.902 1.00 0.00 H +ATOM 5631 H2 WAT A1877 26.818 11.998 9.230 1.00 0.00 H +ATOM 5632 O1 WAT A1878 37.247 1.830 32.164 1.00 0.00 O +ATOM 5633 H1 WAT A1878 36.625 1.791 32.891 1.00 0.00 H +ATOM 5634 H2 WAT A1878 37.929 2.430 32.464 1.00 0.00 H +ATOM 5635 O1 WAT A1879 34.179 9.867 24.053 1.00 0.00 O +ATOM 5636 H1 WAT A1879 34.959 10.414 24.150 1.00 0.00 H +ATOM 5637 H2 WAT A1879 33.482 10.481 23.824 1.00 0.00 H +ATOM 5638 O1 WAT A1880 3.128 19.954 35.091 1.00 0.00 O +ATOM 5639 H1 WAT A1880 2.241 20.182 34.814 1.00 0.00 H +ATOM 5640 H2 WAT A1880 3.058 19.819 36.035 1.00 0.00 H +ATOM 5641 O1 WAT A1881 30.187 31.369 26.167 1.00 0.00 O +ATOM 5642 H1 WAT A1881 29.287 31.279 26.481 1.00 0.00 H +ATOM 5643 H2 WAT A1881 30.429 32.268 26.385 1.00 0.00 H +ATOM 5644 O1 WAT A1882 37.274 18.589 6.453 1.00 0.00 O +ATOM 5645 H1 WAT A1882 36.711 17.824 6.571 1.00 0.00 H +ATOM 5646 H2 WAT A1882 38.110 18.229 6.159 1.00 0.00 H +ATOM 5647 O1 WAT A1883 24.130 18.376 17.483 1.00 0.00 O +ATOM 5648 H1 WAT A1883 23.433 18.049 18.052 1.00 0.00 H +ATOM 5649 H2 WAT A1883 24.371 17.624 16.942 1.00 0.00 H +ATOM 5650 O1 WAT A1884 28.914 16.510 7.429 1.00 0.00 O +ATOM 5651 H1 WAT A1884 28.075 16.056 7.357 1.00 0.00 H +ATOM 5652 H2 WAT A1884 29.197 16.635 6.524 1.00 0.00 H +ATOM 5653 O1 WAT A1885 14.840 7.797 27.446 1.00 0.00 O +ATOM 5654 H1 WAT A1885 15.187 8.430 26.817 1.00 0.00 H +ATOM 5655 H2 WAT A1885 15.467 7.075 27.433 1.00 0.00 H +ATOM 5656 O1 WAT A1886 22.131 32.609 32.616 1.00 0.00 O +ATOM 5657 H1 WAT A1886 21.547 33.017 33.256 1.00 0.00 H +ATOM 5658 H2 WAT A1886 22.451 33.336 32.084 1.00 0.00 H +ATOM 5659 O1 WAT A1887 33.060 8.491 25.390 1.00 0.00 O +ATOM 5660 H1 WAT A1887 32.412 7.792 25.475 1.00 0.00 H +ATOM 5661 H2 WAT A1887 33.896 8.035 25.307 1.00 0.00 H +ATOM 5662 O1 WAT A1888 4.518 10.673 2.725 1.00 0.00 O +ATOM 5663 H1 WAT A1888 4.247 9.781 2.509 1.00 0.00 H +ATOM 5664 H2 WAT A1888 5.463 10.679 2.577 1.00 0.00 H +ATOM 5665 O1 WAT A1889 12.821 13.890 18.674 1.00 0.00 O +ATOM 5666 H1 WAT A1889 12.779 14.845 18.729 1.00 0.00 H +ATOM 5667 H2 WAT A1889 13.697 13.670 18.991 1.00 0.00 H +ATOM 5668 O1 WAT A1890 21.797 7.576 16.713 1.00 0.00 O +ATOM 5669 H1 WAT A1890 21.338 6.972 16.128 1.00 0.00 H +ATOM 5670 H2 WAT A1890 21.265 8.371 16.703 1.00 0.00 H +ATOM 5671 O1 WAT A1891 7.046 0.986 11.142 1.00 0.00 O +ATOM 5672 H1 WAT A1891 6.785 0.066 11.096 1.00 0.00 H +ATOM 5673 H2 WAT A1891 6.237 1.454 11.350 1.00 0.00 H +ATOM 5674 O1 WAT A1892 14.917 27.944 5.016 1.00 0.00 O +ATOM 5675 H1 WAT A1892 14.574 28.100 4.135 1.00 0.00 H +ATOM 5676 H2 WAT A1892 15.444 27.149 4.931 1.00 0.00 H +ATOM 5677 O1 WAT A1893 2.387 9.252 0.960 1.00 0.00 O +ATOM 5678 H1 WAT A1893 2.045 9.856 1.620 1.00 0.00 H +ATOM 5679 H2 WAT A1893 2.697 8.499 1.463 1.00 0.00 H +ATOM 5680 O1 WAT A1894 13.121 19.053 23.944 1.00 0.00 O +ATOM 5681 H1 WAT A1894 12.416 18.409 23.878 1.00 0.00 H +ATOM 5682 H2 WAT A1894 13.443 19.150 23.049 1.00 0.00 H +ATOM 5683 O1 WAT A1895 30.666 7.930 4.458 1.00 0.00 O +ATOM 5684 H1 WAT A1895 29.773 7.739 4.745 1.00 0.00 H +ATOM 5685 H2 WAT A1895 30.833 7.301 3.757 1.00 0.00 H +ATOM 5686 O1 WAT A1896 24.512 4.773 1.332 1.00 0.00 O +ATOM 5687 H1 WAT A1896 25.152 5.268 0.821 1.00 0.00 H +ATOM 5688 H2 WAT A1896 24.677 3.859 1.105 1.00 0.00 H +ATOM 5689 O1 WAT A1897 23.101 11.072 33.877 1.00 0.00 O +ATOM 5690 H1 WAT A1897 22.239 11.190 34.277 1.00 0.00 H +ATOM 5691 H2 WAT A1897 22.955 10.443 33.172 1.00 0.00 H +ATOM 5692 O1 WAT A1898 31.798 19.161 23.382 1.00 0.00 O +ATOM 5693 H1 WAT A1898 31.101 19.754 23.102 1.00 0.00 H +ATOM 5694 H2 WAT A1898 32.605 19.583 23.091 1.00 0.00 H +ATOM 5695 O1 WAT A1899 29.697 11.506 10.757 1.00 0.00 O +ATOM 5696 H1 WAT A1899 28.854 11.952 10.671 1.00 0.00 H +ATOM 5697 H2 WAT A1899 29.568 10.662 10.326 1.00 0.00 H +ATOM 5698 O1 WAT A1900 18.591 10.976 13.557 1.00 0.00 O +ATOM 5699 H1 WAT A1900 17.787 10.860 14.064 1.00 0.00 H +ATOM 5700 H2 WAT A1900 18.781 10.106 13.206 1.00 0.00 H +ATOM 5701 O1 WAT A1901 21.463 0.432 19.670 1.00 0.00 O +ATOM 5702 H1 WAT A1901 20.843 0.000 20.259 1.00 0.00 H +ATOM 5703 H2 WAT A1901 21.960 1.022 20.236 1.00 0.00 H +ATOM 5704 O1 WAT A1902 32.263 18.074 2.892 1.00 0.00 O +ATOM 5705 H1 WAT A1902 33.063 18.586 3.013 1.00 0.00 H +ATOM 5706 H2 WAT A1902 32.415 17.270 3.389 1.00 0.00 H +ATOM 5707 O1 WAT A1903 35.494 23.216 10.835 1.00 0.00 O +ATOM 5708 H1 WAT A1903 34.971 22.435 11.014 1.00 0.00 H +ATOM 5709 H2 WAT A1903 36.316 22.879 10.480 1.00 0.00 H +ATOM 5710 O1 WAT A1904 37.423 0.697 28.156 1.00 0.00 O +ATOM 5711 H1 WAT A1904 37.466 1.644 28.019 1.00 0.00 H +ATOM 5712 H2 WAT A1904 38.056 0.526 28.853 1.00 0.00 H +ATOM 5713 O1 WAT A1905 30.898 1.239 27.935 1.00 0.00 O +ATOM 5714 H1 WAT A1905 31.150 2.054 28.371 1.00 0.00 H +ATOM 5715 H2 WAT A1905 30.494 0.713 28.623 1.00 0.00 H +ATOM 5716 O1 WAT A1906 16.236 18.317 1.063 1.00 0.00 O +ATOM 5717 H1 WAT A1906 16.680 18.011 0.272 1.00 0.00 H +ATOM 5718 H2 WAT A1906 16.777 17.994 1.783 1.00 0.00 H +ATOM 5719 O1 WAT A1907 27.024 14.820 27.437 1.00 0.00 O +ATOM 5720 H1 WAT A1907 26.851 14.422 26.583 1.00 0.00 H +ATOM 5721 H2 WAT A1907 26.173 14.832 27.873 1.00 0.00 H +ATOM 5722 O1 WAT A1908 6.861 6.397 33.311 1.00 0.00 O +ATOM 5723 H1 WAT A1908 6.341 5.606 33.168 1.00 0.00 H +ATOM 5724 H2 WAT A1908 7.764 6.122 33.155 1.00 0.00 H +ATOM 5725 O1 WAT A1909 20.824 38.074 4.707 1.00 0.00 O +ATOM 5726 H1 WAT A1909 21.053 38.396 5.579 1.00 0.00 H +ATOM 5727 H2 WAT A1909 19.936 38.396 4.557 1.00 0.00 H +ATOM 5728 O1 WAT A1910 0.000 8.858 23.573 1.00 0.00 O +ATOM 5729 H1 WAT A1910 0.909 8.843 23.273 1.00 0.00 H +ATOM 5730 H2 WAT A1910 0.048 8.606 24.495 1.00 0.00 H +ATOM 5731 O1 WAT A1911 5.846 18.312 12.741 1.00 0.00 O +ATOM 5732 H1 WAT A1911 5.460 17.656 13.322 1.00 0.00 H +ATOM 5733 H2 WAT A1911 6.771 18.074 12.691 1.00 0.00 H +ATOM 5734 O1 WAT A1912 8.109 14.112 28.653 1.00 0.00 O +ATOM 5735 H1 WAT A1912 8.582 14.921 28.848 1.00 0.00 H +ATOM 5736 H2 WAT A1912 7.330 14.150 29.208 1.00 0.00 H +ATOM 5737 O1 WAT A1913 29.410 33.534 12.075 1.00 0.00 O +ATOM 5738 H1 WAT A1913 30.134 33.836 12.625 1.00 0.00 H +ATOM 5739 H2 WAT A1913 29.566 33.945 11.225 1.00 0.00 H +ATOM 5740 O1 WAT A1914 27.309 19.930 26.793 1.00 0.00 O +ATOM 5741 H1 WAT A1914 26.432 19.545 26.783 1.00 0.00 H +ATOM 5742 H2 WAT A1914 27.174 20.827 27.099 1.00 0.00 H +ATOM 5743 O1 WAT A1915 31.270 1.996 25.092 1.00 0.00 O +ATOM 5744 H1 WAT A1915 30.336 2.112 25.267 1.00 0.00 H +ATOM 5745 H2 WAT A1915 31.346 2.066 24.141 1.00 0.00 H +ATOM 5746 O1 WAT A1916 2.664 6.004 32.004 1.00 0.00 O +ATOM 5747 H1 WAT A1916 2.950 5.523 32.781 1.00 0.00 H +ATOM 5748 H2 WAT A1916 3.087 6.858 32.080 1.00 0.00 H +ATOM 5749 O1 WAT A1917 23.625 13.207 21.519 1.00 0.00 O +ATOM 5750 H1 WAT A1917 23.104 12.405 21.493 1.00 0.00 H +ATOM 5751 H2 WAT A1917 24.474 12.955 21.156 1.00 0.00 H +ATOM 5752 O1 WAT A1918 3.709 8.045 13.553 1.00 0.00 O +ATOM 5753 H1 WAT A1918 3.679 8.975 13.327 1.00 0.00 H +ATOM 5754 H2 WAT A1918 4.638 7.821 13.529 1.00 0.00 H +ATOM 5755 O1 WAT A1919 8.336 9.614 11.885 1.00 0.00 O +ATOM 5756 H1 WAT A1919 9.061 10.010 12.369 1.00 0.00 H +ATOM 5757 H2 WAT A1919 7.726 9.324 12.563 1.00 0.00 H +ATOM 5758 O1 WAT A1920 4.292 20.445 27.900 1.00 0.00 O +ATOM 5759 H1 WAT A1920 4.749 21.245 27.639 1.00 0.00 H +ATOM 5760 H2 WAT A1920 4.971 19.898 28.293 1.00 0.00 H +ATOM 5761 O1 WAT A1921 26.572 23.705 9.803 1.00 0.00 O +ATOM 5762 H1 WAT A1921 27.488 23.982 9.822 1.00 0.00 H +ATOM 5763 H2 WAT A1921 26.589 22.797 10.104 1.00 0.00 H +ATOM 5764 O1 WAT A1922 25.437 28.007 27.723 1.00 0.00 O +ATOM 5765 H1 WAT A1922 25.854 28.783 27.349 1.00 0.00 H +ATOM 5766 H2 WAT A1922 26.152 27.526 28.138 1.00 0.00 H +ATOM 5767 O1 WAT A1923 30.198 13.826 33.808 1.00 0.00 O +ATOM 5768 H1 WAT A1923 29.772 14.534 33.325 1.00 0.00 H +ATOM 5769 H2 WAT A1923 29.503 13.186 33.959 1.00 0.00 H +ATOM 5770 O1 WAT A1924 30.421 10.157 6.396 1.00 0.00 O +ATOM 5771 H1 WAT A1924 30.072 10.023 5.515 1.00 0.00 H +ATOM 5772 H2 WAT A1924 29.702 9.911 6.978 1.00 0.00 H +ATOM 5773 O1 WAT A1925 29.261 19.285 6.989 1.00 0.00 O +ATOM 5774 H1 WAT A1925 28.725 18.779 6.379 1.00 0.00 H +ATOM 5775 H2 WAT A1925 29.451 18.677 7.703 1.00 0.00 H +ATOM 5776 O1 WAT A1926 37.520 25.844 33.871 1.00 0.00 O +ATOM 5777 H1 WAT A1926 37.696 26.744 34.147 1.00 0.00 H +ATOM 5778 H2 WAT A1926 37.037 25.459 34.602 1.00 0.00 H +ATOM 5779 O1 WAT A1927 9.812 32.811 14.541 1.00 0.00 O +ATOM 5780 H1 WAT A1927 10.711 33.107 14.399 1.00 0.00 H +ATOM 5781 H2 WAT A1927 9.406 32.851 13.676 1.00 0.00 H +ATOM 5782 O1 WAT A1928 31.513 9.549 9.023 1.00 0.00 O +ATOM 5783 H1 WAT A1928 30.603 9.270 8.923 1.00 0.00 H +ATOM 5784 H2 WAT A1928 32.018 8.902 8.532 1.00 0.00 H +ATOM 5785 O1 WAT A1929 8.528 34.708 4.968 1.00 0.00 O +ATOM 5786 H1 WAT A1929 7.944 35.448 4.804 1.00 0.00 H +ATOM 5787 H2 WAT A1929 9.279 35.089 5.421 1.00 0.00 H +ATOM 5788 O1 WAT A1930 18.497 0.516 11.911 1.00 0.00 O +ATOM 5789 H1 WAT A1930 17.685 0.010 11.923 1.00 0.00 H +ATOM 5790 H2 WAT A1930 18.252 1.374 12.257 1.00 0.00 H +ATOM 5791 O1 WAT A1931 25.169 7.155 17.696 1.00 0.00 O +ATOM 5792 H1 WAT A1931 24.887 7.666 18.455 1.00 0.00 H +ATOM 5793 H2 WAT A1931 25.351 7.807 17.021 1.00 0.00 H +ATOM 5794 O1 WAT A1932 19.961 20.344 21.707 1.00 0.00 O +ATOM 5795 H1 WAT A1932 20.316 21.233 21.717 1.00 0.00 H +ATOM 5796 H2 WAT A1932 19.087 20.439 21.329 1.00 0.00 H +ATOM 5797 O1 WAT A1933 5.999 1.818 20.451 1.00 0.00 O +ATOM 5798 H1 WAT A1933 6.217 1.333 19.655 1.00 0.00 H +ATOM 5799 H2 WAT A1933 6.837 1.937 20.898 1.00 0.00 H +ATOM 5800 O1 WAT A1934 5.250 19.082 30.322 1.00 0.00 O +ATOM 5801 H1 WAT A1934 6.132 19.424 30.473 1.00 0.00 H +ATOM 5802 H2 WAT A1934 5.232 18.249 30.793 1.00 0.00 H +ATOM 5803 O1 WAT A1935 5.575 5.877 24.217 1.00 0.00 O +ATOM 5804 H1 WAT A1935 5.037 5.086 24.198 1.00 0.00 H +ATOM 5805 H2 WAT A1935 6.412 5.607 23.841 1.00 0.00 H +ATOM 5806 O1 WAT A1936 5.495 9.797 27.412 1.00 0.00 O +ATOM 5807 H1 WAT A1936 5.231 10.710 27.522 1.00 0.00 H +ATOM 5808 H2 WAT A1936 4.675 9.305 27.432 1.00 0.00 H +ATOM 5809 O1 WAT A1937 1.271 16.781 2.728 1.00 0.00 O +ATOM 5810 H1 WAT A1937 1.095 16.573 3.645 1.00 0.00 H +ATOM 5811 H2 WAT A1937 0.419 17.029 2.370 1.00 0.00 H +ATOM 5812 O1 WAT A1938 32.793 24.861 37.716 1.00 0.00 O +ATOM 5813 H1 WAT A1938 33.511 25.486 37.613 1.00 0.00 H +ATOM 5814 H2 WAT A1938 33.176 24.015 37.488 1.00 0.00 H +ATOM 5815 O1 WAT A1939 33.037 0.577 19.495 1.00 0.00 O +ATOM 5816 H1 WAT A1939 33.536 0.001 18.916 1.00 0.00 H +ATOM 5817 H2 WAT A1939 32.404 0.000 19.921 1.00 0.00 H +ATOM 5818 O1 WAT A1940 24.413 34.074 33.791 1.00 0.00 O +ATOM 5819 H1 WAT A1940 23.822 33.323 33.829 1.00 0.00 H +ATOM 5820 H2 WAT A1940 25.175 33.757 33.306 1.00 0.00 H +ATOM 5821 O1 WAT A1941 29.288 38.027 32.842 1.00 0.00 O +ATOM 5822 H1 WAT A1941 29.140 37.461 32.084 1.00 0.00 H +ATOM 5823 H2 WAT A1941 28.853 37.578 33.566 1.00 0.00 H +ATOM 5824 O1 WAT A1942 25.987 10.086 27.164 1.00 0.00 O +ATOM 5825 H1 WAT A1942 25.135 10.190 27.588 1.00 0.00 H +ATOM 5826 H2 WAT A1942 25.804 9.574 26.378 1.00 0.00 H +ATOM 5827 O1 WAT A1943 20.278 11.000 31.482 1.00 0.00 O +ATOM 5828 H1 WAT A1943 19.592 11.368 30.925 1.00 0.00 H +ATOM 5829 H2 WAT A1943 20.573 11.737 32.017 1.00 0.00 H +ATOM 5830 O1 WAT A1944 35.222 30.703 14.438 1.00 0.00 O +ATOM 5831 H1 WAT A1944 35.253 29.746 14.467 1.00 0.00 H +ATOM 5832 H2 WAT A1944 35.875 30.984 15.077 1.00 0.00 H +ATOM 5833 O1 WAT A1945 24.018 10.181 8.780 1.00 0.00 O +ATOM 5834 H1 WAT A1945 23.095 10.405 8.893 1.00 0.00 H +ATOM 5835 H2 WAT A1945 24.494 10.917 9.163 1.00 0.00 H +ATOM 5836 O1 WAT A1946 37.084 26.443 17.983 1.00 0.00 O +ATOM 5837 H1 WAT A1946 37.198 25.545 18.296 1.00 0.00 H +ATOM 5838 H2 WAT A1946 37.436 26.989 18.685 1.00 0.00 H +ATOM 5839 O1 WAT A1947 20.620 19.757 33.669 1.00 0.00 O +ATOM 5840 H1 WAT A1947 21.573 19.781 33.757 1.00 0.00 H +ATOM 5841 H2 WAT A1947 20.415 20.484 33.082 1.00 0.00 H +ATOM 5842 O1 WAT A1948 9.677 3.338 32.419 1.00 0.00 O +ATOM 5843 H1 WAT A1948 10.415 2.736 32.514 1.00 0.00 H +ATOM 5844 H2 WAT A1948 10.081 4.196 32.292 1.00 0.00 H +ATOM 5845 O1 WAT A1949 17.126 5.055 6.905 1.00 0.00 O +ATOM 5846 H1 WAT A1949 17.075 4.837 5.974 1.00 0.00 H +ATOM 5847 H2 WAT A1949 16.710 4.317 7.348 1.00 0.00 H +ATOM 5848 O1 WAT A1950 14.097 23.130 8.412 1.00 0.00 O +ATOM 5849 H1 WAT A1950 13.418 23.698 8.047 1.00 0.00 H +ATOM 5850 H2 WAT A1950 13.696 22.262 8.436 1.00 0.00 H +ATOM 5851 O1 WAT A1951 26.523 5.244 18.271 1.00 0.00 O +ATOM 5852 H1 WAT A1951 25.879 5.073 17.583 1.00 0.00 H +ATOM 5853 H2 WAT A1951 27.021 5.996 17.952 1.00 0.00 H +ATOM 5854 O1 WAT A1952 34.760 19.942 10.683 1.00 0.00 O +ATOM 5855 H1 WAT A1952 33.986 20.504 10.633 1.00 0.00 H +ATOM 5856 H2 WAT A1952 34.627 19.421 11.474 1.00 0.00 H +ATOM 5857 O1 WAT A1953 28.542 31.878 14.557 1.00 0.00 O +ATOM 5858 H1 WAT A1953 27.733 31.679 14.085 1.00 0.00 H +ATOM 5859 H2 WAT A1953 29.209 31.941 13.875 1.00 0.00 H +ATOM 5860 O1 WAT A1954 21.706 26.986 22.899 1.00 0.00 O +ATOM 5861 H1 WAT A1954 22.151 26.183 22.628 1.00 0.00 H +ATOM 5862 H2 WAT A1954 21.718 26.957 23.855 1.00 0.00 H +ATOM 5863 O1 WAT A1955 20.393 14.625 8.379 1.00 0.00 O +ATOM 5864 H1 WAT A1955 20.744 15.109 9.127 1.00 0.00 H +ATOM 5865 H2 WAT A1955 19.693 14.088 8.748 1.00 0.00 H +ATOM 5866 O1 WAT A1956 20.271 33.436 8.060 1.00 0.00 O +ATOM 5867 H1 WAT A1956 19.866 33.088 8.855 1.00 0.00 H +ATOM 5868 H2 WAT A1956 21.106 32.974 7.994 1.00 0.00 H +ATOM 5869 O1 WAT A1957 14.442 4.485 30.482 1.00 0.00 O +ATOM 5870 H1 WAT A1957 13.521 4.226 30.515 1.00 0.00 H +ATOM 5871 H2 WAT A1957 14.442 5.406 30.742 1.00 0.00 H +ATOM 5872 O1 WAT A1958 29.474 37.048 3.805 1.00 0.00 O +ATOM 5873 H1 WAT A1958 29.814 36.937 4.693 1.00 0.00 H +ATOM 5874 H2 WAT A1958 29.777 37.915 3.538 1.00 0.00 H +ATOM 5875 O1 WAT A1959 13.038 23.090 2.508 1.00 0.00 O +ATOM 5876 H1 WAT A1959 12.172 23.458 2.333 1.00 0.00 H +ATOM 5877 H2 WAT A1959 12.945 22.646 3.350 1.00 0.00 H +ATOM 5878 O1 WAT A1960 18.432 28.802 16.533 1.00 0.00 O +ATOM 5879 H1 WAT A1960 17.709 28.175 16.514 1.00 0.00 H +ATOM 5880 H2 WAT A1960 18.057 29.589 16.927 1.00 0.00 H +ATOM 5881 O1 WAT A1961 35.260 11.683 14.666 1.00 0.00 O +ATOM 5882 H1 WAT A1961 35.965 11.117 14.981 1.00 0.00 H +ATOM 5883 H2 WAT A1961 34.470 11.337 15.081 1.00 0.00 H +ATOM 5884 O1 WAT A1962 22.272 30.428 24.558 1.00 0.00 O +ATOM 5885 H1 WAT A1962 23.093 29.951 24.435 1.00 0.00 H +ATOM 5886 H2 WAT A1962 22.473 31.325 24.294 1.00 0.00 H +ATOM 5887 O1 WAT A1963 24.125 27.950 4.210 1.00 0.00 O +ATOM 5888 H1 WAT A1963 24.953 27.945 3.730 1.00 0.00 H +ATOM 5889 H2 WAT A1963 23.469 28.183 3.554 1.00 0.00 H +ATOM 5890 O1 WAT A1964 8.552 5.718 4.771 1.00 0.00 O +ATOM 5891 H1 WAT A1964 9.503 5.811 4.828 1.00 0.00 H +ATOM 5892 H2 WAT A1964 8.365 4.888 5.208 1.00 0.00 H +ATOM 5893 O1 WAT A1965 15.747 31.478 37.391 1.00 0.00 O +ATOM 5894 H1 WAT A1965 15.651 30.529 37.475 1.00 0.00 H +ATOM 5895 H2 WAT A1965 15.140 31.721 36.693 1.00 0.00 H +ATOM 5896 O1 WAT A1966 1.543 35.284 31.405 1.00 0.00 O +ATOM 5897 H1 WAT A1966 1.340 34.827 32.221 1.00 0.00 H +ATOM 5898 H2 WAT A1966 2.051 34.653 30.896 1.00 0.00 H +ATOM 5899 O1 WAT A1967 31.855 31.045 34.646 1.00 0.00 O +ATOM 5900 H1 WAT A1967 31.278 30.491 34.120 1.00 0.00 H +ATOM 5901 H2 WAT A1967 31.873 30.626 35.506 1.00 0.00 H +ATOM 5902 O1 WAT A1968 27.080 8.447 15.819 1.00 0.00 O +ATOM 5903 H1 WAT A1968 26.863 9.251 16.291 1.00 0.00 H +ATOM 5904 H2 WAT A1968 28.004 8.296 16.015 1.00 0.00 H +ATOM 5905 O1 WAT A1969 17.336 23.658 16.823 1.00 0.00 O +ATOM 5906 H1 WAT A1969 17.059 22.760 17.006 1.00 0.00 H +ATOM 5907 H2 WAT A1969 18.140 23.562 16.313 1.00 0.00 H +ATOM 5908 O1 WAT A1970 8.804 17.614 10.129 1.00 0.00 O +ATOM 5909 H1 WAT A1970 8.472 16.741 10.336 1.00 0.00 H +ATOM 5910 H2 WAT A1970 9.671 17.459 9.755 1.00 0.00 H +ATOM 5911 O1 WAT A1971 31.704 6.319 21.966 1.00 0.00 O +ATOM 5912 H1 WAT A1971 31.456 5.603 22.551 1.00 0.00 H +ATOM 5913 H2 WAT A1971 31.028 6.321 21.289 1.00 0.00 H +ATOM 5914 O1 WAT A1972 10.271 15.849 23.812 1.00 0.00 O +ATOM 5915 H1 WAT A1972 9.922 16.298 23.042 1.00 0.00 H +ATOM 5916 H2 WAT A1972 10.934 16.444 24.158 1.00 0.00 H +ATOM 5917 O1 WAT A1973 23.478 23.966 15.302 1.00 0.00 O +ATOM 5918 H1 WAT A1973 23.074 23.302 14.744 1.00 0.00 H +ATOM 5919 H2 WAT A1973 22.766 24.569 15.512 1.00 0.00 H +ATOM 5920 O1 WAT A1974 11.963 8.480 -0.004 1.00 0.00 O +ATOM 5921 H1 WAT A1974 11.799 7.546 0.128 1.00 0.00 H +ATOM 5922 H2 WAT A1974 11.121 8.899 0.170 1.00 0.00 H +ATOM 5923 O1 WAT A1975 13.186 18.724 12.115 1.00 0.00 O +ATOM 5924 H1 WAT A1975 12.390 18.380 12.520 1.00 0.00 H +ATOM 5925 H2 WAT A1975 13.314 19.579 12.524 1.00 0.00 H +ATOM 5926 O1 WAT A1976 33.819 35.447 1.707 1.00 0.00 O +ATOM 5927 H1 WAT A1976 34.324 34.789 2.184 1.00 0.00 H +ATOM 5928 H2 WAT A1976 34.476 36.053 1.364 1.00 0.00 H +ATOM 5929 O1 WAT A1977 19.802 11.814 15.299 1.00 0.00 O +ATOM 5930 H1 WAT A1977 19.510 11.082 15.842 1.00 0.00 H +ATOM 5931 H2 WAT A1977 19.088 12.449 15.349 1.00 0.00 H +ATOM 5932 O1 WAT A1978 6.451 16.545 8.667 1.00 0.00 O +ATOM 5933 H1 WAT A1978 7.135 15.886 8.787 1.00 0.00 H +ATOM 5934 H2 WAT A1978 6.326 16.922 9.537 1.00 0.00 H +ATOM 5935 O1 WAT A1979 6.740 8.180 15.857 1.00 0.00 O +ATOM 5936 H1 WAT A1979 6.984 7.467 15.266 1.00 0.00 H +ATOM 5937 H2 WAT A1979 7.175 8.952 15.495 1.00 0.00 H +ATOM 5938 O1 WAT A1980 23.319 33.007 27.708 1.00 0.00 O +ATOM 5939 H1 WAT A1980 23.532 33.506 26.919 1.00 0.00 H +ATOM 5940 H2 WAT A1980 24.081 33.115 28.275 1.00 0.00 H +ATOM 5941 O1 WAT A1981 24.091 1.237 36.908 1.00 0.00 O +ATOM 5942 H1 WAT A1981 24.287 0.353 37.219 1.00 0.00 H +ATOM 5943 H2 WAT A1981 23.192 1.399 37.193 1.00 0.00 H +ATOM 5944 O1 WAT A1982 1.446 21.039 3.007 1.00 0.00 O +ATOM 5945 H1 WAT A1982 0.673 21.547 2.760 1.00 0.00 H +ATOM 5946 H2 WAT A1982 1.494 21.122 3.959 1.00 0.00 H +ATOM 5947 O1 WAT A1983 7.473 29.078 33.634 1.00 0.00 O +ATOM 5948 H1 WAT A1983 7.827 29.227 32.757 1.00 0.00 H +ATOM 5949 H2 WAT A1983 8.241 29.066 34.205 1.00 0.00 H +ATOM 5950 O1 WAT A1984 11.093 19.450 37.662 1.00 0.00 O +ATOM 5951 H1 WAT A1984 10.150 19.490 37.821 1.00 0.00 H +ATOM 5952 H2 WAT A1984 11.417 20.311 37.924 1.00 0.00 H +ATOM 5953 O1 WAT A1985 0.800 18.334 31.004 1.00 0.00 O +ATOM 5954 H1 WAT A1985 0.001 18.675 30.604 1.00 0.00 H +ATOM 5955 H2 WAT A1985 0.926 17.477 30.598 1.00 0.00 H +ATOM 5956 O1 WAT A1986 28.193 5.090 9.809 1.00 0.00 O +ATOM 5957 H1 WAT A1986 27.593 4.348 9.726 1.00 0.00 H +ATOM 5958 H2 WAT A1986 29.031 4.758 9.490 1.00 0.00 H +ATOM 5959 O1 WAT A1987 9.565 30.647 13.994 1.00 0.00 O +ATOM 5960 H1 WAT A1987 8.692 30.606 14.385 1.00 0.00 H +ATOM 5961 H2 WAT A1987 10.156 30.389 14.700 1.00 0.00 H +ATOM 5962 O1 WAT A1988 14.632 14.144 13.102 1.00 0.00 O +ATOM 5963 H1 WAT A1988 15.106 13.472 12.611 1.00 0.00 H +ATOM 5964 H2 WAT A1988 14.371 13.710 13.913 1.00 0.00 H +ATOM 5965 O1 WAT A1989 1.964 9.337 30.770 1.00 0.00 O +ATOM 5966 H1 WAT A1989 2.107 9.538 29.845 1.00 0.00 H +ATOM 5967 H2 WAT A1989 1.485 8.509 30.765 1.00 0.00 H +ATOM 5968 O1 WAT A1990 7.917 14.834 38.121 1.00 0.00 O +ATOM 5969 H1 WAT A1990 8.691 14.914 37.562 1.00 0.00 H +ATOM 5970 H2 WAT A1990 7.915 13.919 38.399 1.00 0.00 H +ATOM 5971 O1 WAT A1991 11.561 12.081 4.123 1.00 0.00 O +ATOM 5972 H1 WAT A1991 10.824 11.482 4.001 1.00 0.00 H +ATOM 5973 H2 WAT A1991 11.154 12.929 4.300 1.00 0.00 H +ATOM 5974 O1 WAT A1992 3.660 29.657 3.378 1.00 0.00 O +ATOM 5975 H1 WAT A1992 3.259 30.331 2.829 1.00 0.00 H +ATOM 5976 H2 WAT A1992 3.801 28.918 2.786 1.00 0.00 H +ATOM 5977 O1 WAT A1993 2.498 36.126 11.714 1.00 0.00 O +ATOM 5978 H1 WAT A1993 2.512 35.445 11.040 1.00 0.00 H +ATOM 5979 H2 WAT A1993 1.889 35.798 12.374 1.00 0.00 H +ATOM 5980 O1 WAT A1994 19.066 0.977 30.505 1.00 0.00 O +ATOM 5981 H1 WAT A1994 18.532 1.724 30.775 1.00 0.00 H +ATOM 5982 H2 WAT A1994 18.444 0.366 30.111 1.00 0.00 H +ATOM 5983 O1 WAT A1995 24.446 13.503 11.184 1.00 0.00 O +ATOM 5984 H1 WAT A1995 24.076 12.963 10.485 1.00 0.00 H +ATOM 5985 H2 WAT A1995 25.369 13.253 11.218 1.00 0.00 H +ATOM 5986 O1 WAT A1996 34.625 35.571 16.873 1.00 0.00 O +ATOM 5987 H1 WAT A1996 34.212 35.886 17.677 1.00 0.00 H +ATOM 5988 H2 WAT A1996 34.017 34.916 16.531 1.00 0.00 H +ATOM 5989 O1 WAT A1997 2.027 34.778 21.802 1.00 0.00 O +ATOM 5990 H1 WAT A1997 1.530 35.131 22.541 1.00 0.00 H +ATOM 5991 H2 WAT A1997 2.206 35.538 21.249 1.00 0.00 H +ATOM 5992 O1 WAT A1998 17.362 5.040 33.815 1.00 0.00 O +ATOM 5993 H1 WAT A1998 17.378 5.594 34.595 1.00 0.00 H +ATOM 5994 H2 WAT A1998 18.081 5.364 33.275 1.00 0.00 H +ATOM 5995 O1 WAT A1999 24.655 6.569 38.395 1.00 0.00 O +ATOM 5996 H1 WAT A1999 25.066 7.431 38.329 1.00 0.00 H +ATOM 5997 H2 WAT A1999 23.998 6.562 37.699 1.00 0.00 H +ATOM 5998 O1 WAT A2000 6.731 26.719 11.356 1.00 0.00 O +ATOM 5999 H1 WAT A2000 7.116 26.678 12.232 1.00 0.00 H +ATOM 6000 H2 WAT A2000 5.787 26.704 11.508 1.00 0.00 H +ATOM 6001 O1 WAT A2001 36.942 26.163 13.679 1.00 0.00 O +ATOM 6002 H1 WAT A2001 36.593 26.493 14.507 1.00 0.00 H +ATOM 6003 H2 WAT A2001 37.825 26.527 13.628 1.00 0.00 H +ATOM 6004 O1 WAT A2002 16.739 37.029 8.090 1.00 0.00 O +ATOM 6005 H1 WAT A2002 16.805 36.979 7.137 1.00 0.00 H +ATOM 6006 H2 WAT A2002 17.642 36.960 8.398 1.00 0.00 H +ATOM 6007 O1 WAT A2003 6.393 5.438 27.001 1.00 0.00 O +ATOM 6008 H1 WAT A2003 6.891 4.907 26.379 1.00 0.00 H +ATOM 6009 H2 WAT A2003 7.058 5.860 27.543 1.00 0.00 H +ATOM 6010 O1 WAT A2004 15.372 7.075 29.631 1.00 0.00 O +ATOM 6011 H1 WAT A2004 14.439 7.288 29.609 1.00 0.00 H +ATOM 6012 H2 WAT A2004 15.750 7.716 30.232 1.00 0.00 H +ATOM 6013 O1 WAT A2005 28.377 10.827 19.890 1.00 0.00 O +ATOM 6014 H1 WAT A2005 28.859 10.001 19.912 1.00 0.00 H +ATOM 6015 H2 WAT A2005 27.505 10.606 20.215 1.00 0.00 H +ATOM 6016 O1 WAT A2006 8.711 23.054 12.759 1.00 0.00 O +ATOM 6017 H1 WAT A2006 7.812 23.247 12.493 1.00 0.00 H +ATOM 6018 H2 WAT A2006 8.720 22.108 12.901 1.00 0.00 H +ATOM 6019 O1 WAT A2007 6.605 20.178 13.801 1.00 0.00 O +ATOM 6020 H1 WAT A2007 7.548 20.022 13.755 1.00 0.00 H +ATOM 6021 H2 WAT A2007 6.346 19.829 14.654 1.00 0.00 H +ATOM 6022 O1 WAT A2008 29.079 13.693 14.653 1.00 0.00 O +ATOM 6023 H1 WAT A2008 29.289 12.773 14.819 1.00 0.00 H +ATOM 6024 H2 WAT A2008 28.126 13.711 14.570 1.00 0.00 H +ATOM 6025 O1 WAT A2009 7.801 29.129 30.240 1.00 0.00 O +ATOM 6026 H1 WAT A2009 6.882 29.205 29.982 1.00 0.00 H +ATOM 6027 H2 WAT A2009 8.023 28.213 30.073 1.00 0.00 H +ATOM 6028 O1 WAT A2010 12.216 19.182 15.012 1.00 0.00 O +ATOM 6029 H1 WAT A2010 12.618 18.314 14.976 1.00 0.00 H +ATOM 6030 H2 WAT A2010 12.889 19.773 14.674 1.00 0.00 H +ATOM 6031 O1 WAT A2011 8.989 16.507 4.836 1.00 0.00 O +ATOM 6032 H1 WAT A2011 8.697 16.262 5.714 1.00 0.00 H +ATOM 6033 H2 WAT A2011 9.132 15.674 4.388 1.00 0.00 H +ATOM 6034 O1 WAT A2012 17.025 22.397 1.276 1.00 0.00 O +ATOM 6035 H1 WAT A2012 17.430 22.162 2.111 1.00 0.00 H +ATOM 6036 H2 WAT A2012 17.182 23.336 1.188 1.00 0.00 H +ATOM 6037 O1 WAT A2013 9.816 24.990 2.484 1.00 0.00 O +ATOM 6038 H1 WAT A2013 9.858 24.445 3.270 1.00 0.00 H +ATOM 6039 H2 WAT A2013 8.882 25.146 2.349 1.00 0.00 H +ATOM 6040 O1 WAT A2014 32.785 6.104 8.834 1.00 0.00 O +ATOM 6041 H1 WAT A2014 31.892 6.093 8.487 1.00 0.00 H +ATOM 6042 H2 WAT A2014 32.823 6.893 9.374 1.00 0.00 H +ATOM 6043 O1 WAT A2015 27.845 24.237 16.700 1.00 0.00 O +ATOM 6044 H1 WAT A2015 27.301 25.013 16.835 1.00 0.00 H +ATOM 6045 H2 WAT A2015 28.735 24.531 16.892 1.00 0.00 H +ATOM 6046 O1 WAT A2016 1.765 14.041 18.008 1.00 0.00 O +ATOM 6047 H1 WAT A2016 1.456 14.947 18.008 1.00 0.00 H +ATOM 6048 H2 WAT A2016 2.713 14.111 18.116 1.00 0.00 H +ATOM 6049 O1 WAT A2017 27.928 6.125 4.186 1.00 0.00 O +ATOM 6050 H1 WAT A2017 28.226 5.514 4.860 1.00 0.00 H +ATOM 6051 H2 WAT A2017 26.997 6.246 4.365 1.00 0.00 H +ATOM 6052 O1 WAT A2018 25.249 32.612 8.568 1.00 0.00 O +ATOM 6053 H1 WAT A2018 25.917 31.979 8.831 1.00 0.00 H +ATOM 6054 H2 WAT A2018 24.514 32.077 8.271 1.00 0.00 H +ATOM 6055 O1 WAT A2019 10.032 27.324 24.441 1.00 0.00 O +ATOM 6056 H1 WAT A2019 10.193 27.804 23.628 1.00 0.00 H +ATOM 6057 H2 WAT A2019 9.515 26.565 24.174 1.00 0.00 H +ATOM 6058 O1 WAT A2020 29.731 9.129 25.186 1.00 0.00 O +ATOM 6059 H1 WAT A2020 30.479 9.710 25.327 1.00 0.00 H +ATOM 6060 H2 WAT A2020 29.987 8.303 25.597 1.00 0.00 H +ATOM 6061 O1 WAT A2021 14.700 18.932 2.706 1.00 0.00 O +ATOM 6062 H1 WAT A2021 15.050 19.665 3.212 1.00 0.00 H +ATOM 6063 H2 WAT A2021 14.334 18.340 3.362 1.00 0.00 H +ATOM 6064 O1 WAT A2022 3.133 33.672 25.990 1.00 0.00 O +ATOM 6065 H1 WAT A2022 3.861 33.062 25.868 1.00 0.00 H +ATOM 6066 H2 WAT A2022 2.394 33.254 25.549 1.00 0.00 H +ATOM 6067 O1 WAT A2023 12.081 35.772 12.702 1.00 0.00 O +ATOM 6068 H1 WAT A2023 12.993 36.052 12.787 1.00 0.00 H +ATOM 6069 H2 WAT A2023 11.685 36.419 12.120 1.00 0.00 H +ATOM 6070 O1 WAT A2024 2.497 9.317 18.359 1.00 0.00 O +ATOM 6071 H1 WAT A2024 1.623 9.462 17.997 1.00 0.00 H +ATOM 6072 H2 WAT A2024 3.092 9.696 17.713 1.00 0.00 H +ATOM 6073 O1 WAT A2025 0.511 4.008 31.115 1.00 0.00 O +ATOM 6074 H1 WAT A2025 1.421 3.719 31.195 1.00 0.00 H +ATOM 6075 H2 WAT A2025 0.091 3.333 30.583 1.00 0.00 H +ATOM 6076 O1 WAT A2026 16.995 6.365 22.795 1.00 0.00 O +ATOM 6077 H1 WAT A2026 17.665 6.692 23.396 1.00 0.00 H +ATOM 6078 H2 WAT A2026 16.364 7.081 22.727 1.00 0.00 H +ATOM 6079 O1 WAT A2027 30.712 26.578 24.350 1.00 0.00 O +ATOM 6080 H1 WAT A2027 30.241 25.949 24.896 1.00 0.00 H +ATOM 6081 H2 WAT A2027 30.480 27.432 24.713 1.00 0.00 H +ATOM 6082 O1 WAT A2028 18.527 27.105 1.179 1.00 0.00 O +ATOM 6083 H1 WAT A2028 19.008 27.920 1.035 1.00 0.00 H +ATOM 6084 H2 WAT A2028 17.682 27.247 0.752 1.00 0.00 H +ATOM 6085 O1 WAT A2029 11.727 25.366 5.645 1.00 0.00 O +ATOM 6086 H1 WAT A2029 11.710 26.263 5.980 1.00 0.00 H +ATOM 6087 H2 WAT A2029 12.285 24.891 6.259 1.00 0.00 H +ATOM 6088 O1 WAT A2030 0.944 0.770 6.207 1.00 0.00 O +ATOM 6089 H1 WAT A2030 1.432 0.636 7.019 1.00 0.00 H +ATOM 6090 H2 WAT A2030 1.254 1.612 5.876 1.00 0.00 H +ATOM 6091 O1 WAT A2031 38.400 9.813 3.922 1.00 0.00 O +ATOM 6092 H1 WAT A2031 37.854 9.066 3.677 1.00 0.00 H +ATOM 6093 H2 WAT A2031 38.298 10.432 3.200 1.00 0.00 H +ATOM 6094 O1 WAT A2032 17.017 28.575 10.086 1.00 0.00 O +ATOM 6095 H1 WAT A2032 17.226 27.934 10.765 1.00 0.00 H +ATOM 6096 H2 WAT A2032 16.061 28.597 10.062 1.00 0.00 H +ATOM 6097 O1 WAT A2033 35.423 4.772 -0.001 1.00 0.00 O +ATOM 6098 H1 WAT A2033 34.533 5.124 0.030 1.00 0.00 H +ATOM 6099 H2 WAT A2033 35.974 5.485 0.319 1.00 0.00 H +ATOM 6100 O1 WAT A2034 32.073 3.493 19.475 1.00 0.00 O +ATOM 6101 H1 WAT A2034 32.534 4.171 19.969 1.00 0.00 H +ATOM 6102 H2 WAT A2034 31.537 3.977 18.847 1.00 0.00 H +ATOM 6103 O1 WAT A2035 31.762 24.743 19.019 1.00 0.00 O +ATOM 6104 H1 WAT A2035 32.698 24.926 18.928 1.00 0.00 H +ATOM 6105 H2 WAT A2035 31.337 25.372 18.438 1.00 0.00 H +ATOM 6106 O1 WAT A2036 2.996 15.740 22.913 1.00 0.00 O +ATOM 6107 H1 WAT A2036 2.371 16.388 22.589 1.00 0.00 H +ATOM 6108 H2 WAT A2036 2.592 15.392 23.707 1.00 0.00 H +ATOM 6109 O1 WAT A2037 32.484 16.926 21.292 1.00 0.00 O +ATOM 6110 H1 WAT A2037 33.296 16.419 21.325 1.00 0.00 H +ATOM 6111 H2 WAT A2037 32.359 17.119 20.364 1.00 0.00 H +ATOM 6112 O1 WAT A2038 25.143 10.367 6.689 1.00 0.00 O +ATOM 6113 H1 WAT A2038 25.867 9.807 6.969 1.00 0.00 H +ATOM 6114 H2 WAT A2038 25.557 11.051 6.164 1.00 0.00 H +ATOM 6115 O1 WAT A2039 28.798 8.120 37.811 1.00 0.00 O +ATOM 6116 H1 WAT A2039 29.367 8.834 38.098 1.00 0.00 H +ATOM 6117 H2 WAT A2039 28.018 8.556 37.469 1.00 0.00 H +ATOM 6118 O1 WAT A2040 31.657 19.018 11.634 1.00 0.00 O +ATOM 6119 H1 WAT A2040 32.191 18.654 10.928 1.00 0.00 H +ATOM 6120 H2 WAT A2040 31.878 19.948 11.648 1.00 0.00 H +ATOM 6121 O1 WAT A2041 5.472 12.602 7.289 1.00 0.00 O +ATOM 6122 H1 WAT A2041 4.662 12.156 7.040 1.00 0.00 H +ATOM 6123 H2 WAT A2041 6.166 11.985 7.060 1.00 0.00 H +ATOM 6124 O1 WAT A2042 1.509 25.848 5.227 1.00 0.00 O +ATOM 6125 H1 WAT A2042 2.209 26.358 4.819 1.00 0.00 H +ATOM 6126 H2 WAT A2042 0.981 25.535 4.494 1.00 0.00 H +ATOM 6127 O1 WAT A2043 8.381 6.481 19.921 1.00 0.00 O +ATOM 6128 H1 WAT A2043 8.001 7.356 19.996 1.00 0.00 H +ATOM 6129 H2 WAT A2043 9.022 6.435 20.629 1.00 0.00 H +ATOM 6130 O1 WAT A2044 9.862 30.551 23.493 1.00 0.00 O +ATOM 6131 H1 WAT A2044 9.715 29.906 24.185 1.00 0.00 H +ATOM 6132 H2 WAT A2044 10.409 31.222 23.901 1.00 0.00 H +ATOM 6133 O1 WAT A2045 0.535 9.942 14.283 1.00 0.00 O +ATOM 6134 H1 WAT A2045 0.016 9.470 14.935 1.00 0.00 H +ATOM 6135 H2 WAT A2045 0.788 10.755 14.719 1.00 0.00 H +ATOM 6136 O1 WAT A2046 16.122 20.032 21.862 1.00 0.00 O +ATOM 6137 H1 WAT A2046 16.832 20.181 21.238 1.00 0.00 H +ATOM 6138 H2 WAT A2046 15.451 20.669 21.620 1.00 0.00 H +ATOM 6139 O1 WAT A2047 0.718 5.892 29.566 1.00 0.00 O +ATOM 6140 H1 WAT A2047 0.831 6.733 29.122 1.00 0.00 H +ATOM 6141 H2 WAT A2047 0.745 6.107 30.498 1.00 0.00 H +ATOM 6142 O1 WAT A2048 21.616 26.378 17.838 1.00 0.00 O +ATOM 6143 H1 WAT A2048 21.345 25.537 18.207 1.00 0.00 H +ATOM 6144 H2 WAT A2048 20.817 26.742 17.456 1.00 0.00 H +ATOM 6145 O1 WAT A2049 14.700 2.463 37.953 1.00 0.00 O +ATOM 6146 H1 WAT A2049 15.135 2.522 37.103 1.00 0.00 H +ATOM 6147 H2 WAT A2049 14.986 1.624 38.312 1.00 0.00 H +ATOM 6148 O1 WAT A2050 6.906 31.273 23.512 1.00 0.00 O +ATOM 6149 H1 WAT A2050 6.831 30.649 22.791 1.00 0.00 H +ATOM 6150 H2 WAT A2050 6.774 30.747 24.300 1.00 0.00 H +ATOM 6151 O1 WAT A2051 32.109 16.784 12.090 1.00 0.00 O +ATOM 6152 H1 WAT A2051 31.165 16.934 12.143 1.00 0.00 H +ATOM 6153 H2 WAT A2051 32.200 15.833 12.045 1.00 0.00 H +ATOM 6154 O1 WAT A2052 4.649 20.511 25.504 1.00 0.00 O +ATOM 6155 H1 WAT A2052 5.105 21.350 25.432 1.00 0.00 H +ATOM 6156 H2 WAT A2052 4.641 20.165 24.612 1.00 0.00 H +ATOM 6157 O1 WAT A2053 25.772 5.688 13.375 1.00 0.00 O +ATOM 6158 H1 WAT A2053 25.763 4.884 13.894 1.00 0.00 H +ATOM 6159 H2 WAT A2053 25.156 6.269 13.822 1.00 0.00 H +ATOM 6160 O1 WAT A2054 6.182 30.034 2.169 1.00 0.00 O +ATOM 6161 H1 WAT A2054 6.019 29.853 3.095 1.00 0.00 H +ATOM 6162 H2 WAT A2054 6.593 30.898 2.162 1.00 0.00 H +ATOM 6163 O1 WAT A2055 1.189 38.401 1.734 1.00 0.00 O +ATOM 6164 H1 WAT A2055 2.145 38.360 1.725 1.00 0.00 H +ATOM 6165 H2 WAT A2055 0.915 37.551 2.076 1.00 0.00 H +ATOM 6166 O1 WAT A2056 31.772 3.834 5.740 1.00 0.00 O +ATOM 6167 H1 WAT A2056 31.031 3.231 5.791 1.00 0.00 H +ATOM 6168 H2 WAT A2056 32.384 3.520 6.404 1.00 0.00 H +ATOM 6169 O1 WAT A2057 9.338 30.482 8.969 1.00 0.00 O +ATOM 6170 H1 WAT A2057 9.769 30.361 8.123 1.00 0.00 H +ATOM 6171 H2 WAT A2057 8.770 31.241 8.843 1.00 0.00 H +ATOM 6172 O1 WAT A2058 7.890 22.830 34.070 1.00 0.00 O +ATOM 6173 H1 WAT A2058 7.145 22.538 34.597 1.00 0.00 H +ATOM 6174 H2 WAT A2058 7.856 22.287 33.284 1.00 0.00 H +ATOM 6175 O1 WAT A2059 9.869 17.324 37.691 1.00 0.00 O +ATOM 6176 H1 WAT A2059 10.801 17.278 37.476 1.00 0.00 H +ATOM 6177 H2 WAT A2059 9.753 16.689 38.397 1.00 0.00 H +ATOM 6178 O1 WAT A2060 6.034 2.208 36.834 1.00 0.00 O +ATOM 6179 H1 WAT A2060 5.598 2.818 36.239 1.00 0.00 H +ATOM 6180 H2 WAT A2060 5.430 2.116 37.569 1.00 0.00 H +ATOM 6181 O1 WAT A2061 26.641 17.143 25.274 1.00 0.00 O +ATOM 6182 H1 WAT A2061 27.014 17.455 26.099 1.00 0.00 H +ATOM 6183 H2 WAT A2061 26.148 17.890 24.936 1.00 0.00 H +ATOM 6184 O1 WAT A2062 1.158 19.269 15.536 1.00 0.00 O +ATOM 6185 H1 WAT A2062 0.229 19.499 15.553 1.00 0.00 H +ATOM 6186 H2 WAT A2062 1.175 18.357 15.247 1.00 0.00 H +ATOM 6187 O1 WAT A2063 13.282 36.024 22.904 1.00 0.00 O +ATOM 6188 H1 WAT A2063 13.319 36.791 22.334 1.00 0.00 H +ATOM 6189 H2 WAT A2063 13.852 36.244 23.641 1.00 0.00 H +ATOM 6190 O1 WAT A2064 29.211 10.673 2.595 1.00 0.00 O +ATOM 6191 H1 WAT A2064 28.279 10.565 2.788 1.00 0.00 H +ATOM 6192 H2 WAT A2064 29.580 11.048 3.394 1.00 0.00 H +ATOM 6193 O1 WAT A2065 9.950 4.058 9.838 1.00 0.00 O +ATOM 6194 H1 WAT A2065 10.599 4.607 9.397 1.00 0.00 H +ATOM 6195 H2 WAT A2065 10.329 3.180 9.824 1.00 0.00 H +ATOM 6196 O1 WAT A2066 25.474 34.967 20.738 1.00 0.00 O +ATOM 6197 H1 WAT A2066 25.943 35.565 20.156 1.00 0.00 H +ATOM 6198 H2 WAT A2066 24.836 35.520 21.188 1.00 0.00 H +ATOM 6199 O1 WAT A2067 36.883 15.593 1.215 1.00 0.00 O +ATOM 6200 H1 WAT A2067 37.001 14.645 1.283 1.00 0.00 H +ATOM 6201 H2 WAT A2067 36.808 15.759 0.276 1.00 0.00 H +ATOM 6202 O1 WAT A2068 9.631 34.370 36.234 1.00 0.00 O +ATOM 6203 H1 WAT A2068 9.676 34.637 35.316 1.00 0.00 H +ATOM 6204 H2 WAT A2068 8.696 34.278 36.413 1.00 0.00 H +ATOM 6205 O1 WAT A2069 7.016 14.075 33.689 1.00 0.00 O +ATOM 6206 H1 WAT A2069 7.750 14.593 33.357 1.00 0.00 H +ATOM 6207 H2 WAT A2069 6.242 14.603 33.497 1.00 0.00 H +ATOM 6208 O1 WAT A2070 18.555 5.946 10.304 1.00 0.00 O +ATOM 6209 H1 WAT A2070 19.481 6.165 10.199 1.00 0.00 H +ATOM 6210 H2 WAT A2070 18.142 6.256 9.499 1.00 0.00 H +ATOM 6211 O1 WAT A2071 12.418 9.089 36.232 1.00 0.00 O +ATOM 6212 H1 WAT A2071 11.790 8.386 36.401 1.00 0.00 H +ATOM 6213 H2 WAT A2071 11.896 9.786 35.836 1.00 0.00 H +ATOM 6214 O1 WAT A2072 37.893 30.749 9.160 1.00 0.00 O +ATOM 6215 H1 WAT A2072 37.840 31.469 8.532 1.00 0.00 H +ATOM 6216 H2 WAT A2072 38.162 29.994 8.638 1.00 0.00 H +ATOM 6217 O1 WAT A2073 21.534 32.298 30.131 1.00 0.00 O +ATOM 6218 H1 WAT A2073 20.858 31.769 29.708 1.00 0.00 H +ATOM 6219 H2 WAT A2073 22.356 31.982 29.757 1.00 0.00 H +ATOM 6220 O1 WAT A2074 35.099 28.204 19.763 1.00 0.00 O +ATOM 6221 H1 WAT A2074 35.567 27.369 19.781 1.00 0.00 H +ATOM 6222 H2 WAT A2074 34.430 28.091 19.089 1.00 0.00 H +ATOM 6223 O1 WAT A2075 3.701 26.845 21.927 1.00 0.00 O +ATOM 6224 H1 WAT A2075 4.030 26.368 21.165 1.00 0.00 H +ATOM 6225 H2 WAT A2075 2.756 26.899 21.788 1.00 0.00 H +ATOM 6226 O1 WAT A2076 34.209 10.403 0.782 1.00 0.00 O +ATOM 6227 H1 WAT A2076 33.354 10.228 0.389 1.00 0.00 H +ATOM 6228 H2 WAT A2076 34.609 9.539 0.882 1.00 0.00 H +ATOM 6229 O1 WAT A2077 37.859 19.904 27.870 1.00 0.00 O +ATOM 6230 H1 WAT A2077 37.260 19.218 28.165 1.00 0.00 H +ATOM 6231 H2 WAT A2077 38.142 20.339 28.673 1.00 0.00 H +ATOM 6232 O1 WAT A2078 1.591 5.803 38.400 1.00 0.00 O +ATOM 6233 H1 WAT A2078 1.781 5.104 37.774 1.00 0.00 H +ATOM 6234 H2 WAT A2078 1.360 6.556 37.857 1.00 0.00 H +ATOM 6235 O1 WAT A2079 18.238 20.822 15.739 1.00 0.00 O +ATOM 6236 H1 WAT A2079 19.121 20.457 15.795 1.00 0.00 H +ATOM 6237 H2 WAT A2079 17.776 20.451 16.491 1.00 0.00 H +ATOM 6238 O1 WAT A2080 14.104 24.074 4.553 1.00 0.00 O +ATOM 6239 H1 WAT A2080 14.787 24.632 4.182 1.00 0.00 H +ATOM 6240 H2 WAT A2080 14.218 24.152 5.500 1.00 0.00 H +ATOM 6241 O1 WAT A2081 22.954 9.499 17.556 1.00 0.00 O +ATOM 6242 H1 WAT A2081 23.112 9.117 18.419 1.00 0.00 H +ATOM 6243 H2 WAT A2081 23.490 8.976 16.960 1.00 0.00 H +ATOM 6244 O1 WAT A2082 10.992 19.694 25.745 1.00 0.00 O +ATOM 6245 H1 WAT A2082 11.411 18.837 25.826 1.00 0.00 H +ATOM 6246 H2 WAT A2082 11.678 20.265 25.400 1.00 0.00 H +ATOM 6247 O1 WAT A2083 30.083 32.480 23.884 1.00 0.00 O +ATOM 6248 H1 WAT A2083 29.227 32.210 24.217 1.00 0.00 H +ATOM 6249 H2 WAT A2083 29.885 33.004 23.108 1.00 0.00 H +ATOM 6250 O1 WAT A2084 20.640 36.311 10.856 1.00 0.00 O +ATOM 6251 H1 WAT A2084 21.262 35.721 10.431 1.00 0.00 H +ATOM 6252 H2 WAT A2084 20.952 37.188 10.637 1.00 0.00 H +ATOM 6253 O1 WAT A2085 4.971 37.747 30.734 1.00 0.00 O +ATOM 6254 H1 WAT A2085 5.553 37.544 31.467 1.00 0.00 H +ATOM 6255 H2 WAT A2085 5.447 38.400 30.222 1.00 0.00 H +ATOM 6256 O1 WAT A2086 1.117 7.565 33.120 1.00 0.00 O +ATOM 6257 H1 WAT A2086 0.775 6.693 32.921 1.00 0.00 H +ATOM 6258 H2 WAT A2086 0.441 8.165 32.806 1.00 0.00 H +ATOM 6259 O1 WAT A2087 23.223 26.177 38.182 1.00 0.00 O +ATOM 6260 H1 WAT A2087 22.501 26.604 37.719 1.00 0.00 H +ATOM 6261 H2 WAT A2087 22.890 25.306 38.395 1.00 0.00 H +ATOM 6262 O1 WAT A2088 31.085 37.959 26.068 1.00 0.00 O +ATOM 6263 H1 WAT A2088 31.381 38.118 26.964 1.00 0.00 H +ATOM 6264 H2 WAT A2088 31.741 38.387 25.518 1.00 0.00 H +ATOM 6265 O1 WAT A2089 27.482 6.428 36.952 1.00 0.00 O +ATOM 6266 H1 WAT A2089 27.873 5.571 36.780 1.00 0.00 H +ATOM 6267 H2 WAT A2089 26.650 6.231 37.380 1.00 0.00 H +ATOM 6268 O1 WAT A2090 35.723 7.294 35.978 1.00 0.00 O +ATOM 6269 H1 WAT A2090 36.248 7.932 35.495 1.00 0.00 H +ATOM 6270 H2 WAT A2090 36.285 7.017 36.701 1.00 0.00 H +ATOM 6271 O1 WAT A2091 14.268 16.884 10.905 1.00 0.00 O +ATOM 6272 H1 WAT A2091 13.916 16.677 11.771 1.00 0.00 H +ATOM 6273 H2 WAT A2091 15.137 17.245 11.079 1.00 0.00 H +ATOM 6274 O1 WAT A2092 23.571 24.454 30.983 1.00 0.00 O +ATOM 6275 H1 WAT A2092 23.819 23.530 30.952 1.00 0.00 H +ATOM 6276 H2 WAT A2092 24.253 24.868 31.511 1.00 0.00 H +ATOM 6277 O1 WAT A2093 27.193 19.812 7.790 1.00 0.00 O +ATOM 6278 H1 WAT A2093 26.271 19.558 7.739 1.00 0.00 H +ATOM 6279 H2 WAT A2093 27.334 20.359 7.018 1.00 0.00 H +ATOM 6280 O1 WAT A2094 26.205 37.535 21.237 1.00 0.00 O +ATOM 6281 H1 WAT A2094 26.695 36.888 21.745 1.00 0.00 H +ATOM 6282 H2 WAT A2094 26.258 38.337 21.756 1.00 0.00 H +END diff --git a/required_data/equilb_box_298K/TIPS3P_box_0.psf b/required_data/equilb_box_298K/TIPS3P_box_0.psf index d9dc42b..411b1ac 100644 --- a/required_data/equilb_box_298K/TIPS3P_box_0.psf +++ b/required_data/equilb_box_298K/TIPS3P_box_0.psf @@ -1,4 +1,4 @@ -PSF +PSF 3 !NTITLE REMARKS this file TIPS3P_box_0 - created by mBuild/foyer using the @@ -7,6288 +7,6288 @@ PSF 6282 !NATOM - 1 SYS 1 TIP3 O1 C -0.834000 15.9994 - 2 SYS 1 TIP3 H1 A 0.417000 1.0079 - 3 SYS 1 TIP3 H2 A 0.417000 1.0079 - 4 SYS 2 TIP3 O1 C -0.834000 15.9994 - 5 SYS 2 TIP3 H1 A 0.417000 1.0079 - 6 SYS 2 TIP3 H2 A 0.417000 1.0079 - 7 SYS 3 TIP3 O1 C -0.834000 15.9994 - 8 SYS 3 TIP3 H1 A 0.417000 1.0079 - 9 SYS 3 TIP3 H2 A 0.417000 1.0079 - 10 SYS 4 TIP3 O1 C -0.834000 15.9994 - 11 SYS 4 TIP3 H1 A 0.417000 1.0079 - 12 SYS 4 TIP3 H2 A 0.417000 1.0079 - 13 SYS 5 TIP3 O1 C -0.834000 15.9994 - 14 SYS 5 TIP3 H1 A 0.417000 1.0079 - 15 SYS 5 TIP3 H2 A 0.417000 1.0079 - 16 SYS 6 TIP3 O1 C -0.834000 15.9994 - 17 SYS 6 TIP3 H1 A 0.417000 1.0079 - 18 SYS 6 TIP3 H2 A 0.417000 1.0079 - 19 SYS 7 TIP3 O1 C -0.834000 15.9994 - 20 SYS 7 TIP3 H1 A 0.417000 1.0079 - 21 SYS 7 TIP3 H2 A 0.417000 1.0079 - 22 SYS 8 TIP3 O1 C -0.834000 15.9994 - 23 SYS 8 TIP3 H1 A 0.417000 1.0079 - 24 SYS 8 TIP3 H2 A 0.417000 1.0079 - 25 SYS 9 TIP3 O1 C -0.834000 15.9994 - 26 SYS 9 TIP3 H1 A 0.417000 1.0079 - 27 SYS 9 TIP3 H2 A 0.417000 1.0079 - 28 SYS 10 TIP3 O1 C -0.834000 15.9994 - 29 SYS 10 TIP3 H1 A 0.417000 1.0079 - 30 SYS 10 TIP3 H2 A 0.417000 1.0079 - 31 SYS 11 TIP3 O1 C -0.834000 15.9994 - 32 SYS 11 TIP3 H1 A 0.417000 1.0079 - 33 SYS 11 TIP3 H2 A 0.417000 1.0079 - 34 SYS 12 TIP3 O1 C -0.834000 15.9994 - 35 SYS 12 TIP3 H1 A 0.417000 1.0079 - 36 SYS 12 TIP3 H2 A 0.417000 1.0079 - 37 SYS 13 TIP3 O1 C -0.834000 15.9994 - 38 SYS 13 TIP3 H1 A 0.417000 1.0079 - 39 SYS 13 TIP3 H2 A 0.417000 1.0079 - 40 SYS 14 TIP3 O1 C -0.834000 15.9994 - 41 SYS 14 TIP3 H1 A 0.417000 1.0079 - 42 SYS 14 TIP3 H2 A 0.417000 1.0079 - 43 SYS 15 TIP3 O1 C -0.834000 15.9994 - 44 SYS 15 TIP3 H1 A 0.417000 1.0079 - 45 SYS 15 TIP3 H2 A 0.417000 1.0079 - 46 SYS 16 TIP3 O1 C -0.834000 15.9994 - 47 SYS 16 TIP3 H1 A 0.417000 1.0079 - 48 SYS 16 TIP3 H2 A 0.417000 1.0079 - 49 SYS 17 TIP3 O1 C -0.834000 15.9994 - 50 SYS 17 TIP3 H1 A 0.417000 1.0079 - 51 SYS 17 TIP3 H2 A 0.417000 1.0079 - 52 SYS 18 TIP3 O1 C -0.834000 15.9994 - 53 SYS 18 TIP3 H1 A 0.417000 1.0079 - 54 SYS 18 TIP3 H2 A 0.417000 1.0079 - 55 SYS 19 TIP3 O1 C -0.834000 15.9994 - 56 SYS 19 TIP3 H1 A 0.417000 1.0079 - 57 SYS 19 TIP3 H2 A 0.417000 1.0079 - 58 SYS 20 TIP3 O1 C -0.834000 15.9994 - 59 SYS 20 TIP3 H1 A 0.417000 1.0079 - 60 SYS 20 TIP3 H2 A 0.417000 1.0079 - 61 SYS 21 TIP3 O1 C -0.834000 15.9994 - 62 SYS 21 TIP3 H1 A 0.417000 1.0079 - 63 SYS 21 TIP3 H2 A 0.417000 1.0079 - 64 SYS 22 TIP3 O1 C -0.834000 15.9994 - 65 SYS 22 TIP3 H1 A 0.417000 1.0079 - 66 SYS 22 TIP3 H2 A 0.417000 1.0079 - 67 SYS 23 TIP3 O1 C -0.834000 15.9994 - 68 SYS 23 TIP3 H1 A 0.417000 1.0079 - 69 SYS 23 TIP3 H2 A 0.417000 1.0079 - 70 SYS 24 TIP3 O1 C -0.834000 15.9994 - 71 SYS 24 TIP3 H1 A 0.417000 1.0079 - 72 SYS 24 TIP3 H2 A 0.417000 1.0079 - 73 SYS 25 TIP3 O1 C -0.834000 15.9994 - 74 SYS 25 TIP3 H1 A 0.417000 1.0079 - 75 SYS 25 TIP3 H2 A 0.417000 1.0079 - 76 SYS 26 TIP3 O1 C -0.834000 15.9994 - 77 SYS 26 TIP3 H1 A 0.417000 1.0079 - 78 SYS 26 TIP3 H2 A 0.417000 1.0079 - 79 SYS 27 TIP3 O1 C -0.834000 15.9994 - 80 SYS 27 TIP3 H1 A 0.417000 1.0079 - 81 SYS 27 TIP3 H2 A 0.417000 1.0079 - 82 SYS 28 TIP3 O1 C -0.834000 15.9994 - 83 SYS 28 TIP3 H1 A 0.417000 1.0079 - 84 SYS 28 TIP3 H2 A 0.417000 1.0079 - 85 SYS 29 TIP3 O1 C -0.834000 15.9994 - 86 SYS 29 TIP3 H1 A 0.417000 1.0079 - 87 SYS 29 TIP3 H2 A 0.417000 1.0079 - 88 SYS 30 TIP3 O1 C -0.834000 15.9994 - 89 SYS 30 TIP3 H1 A 0.417000 1.0079 - 90 SYS 30 TIP3 H2 A 0.417000 1.0079 - 91 SYS 31 TIP3 O1 C -0.834000 15.9994 - 92 SYS 31 TIP3 H1 A 0.417000 1.0079 - 93 SYS 31 TIP3 H2 A 0.417000 1.0079 - 94 SYS 32 TIP3 O1 C -0.834000 15.9994 - 95 SYS 32 TIP3 H1 A 0.417000 1.0079 - 96 SYS 32 TIP3 H2 A 0.417000 1.0079 - 97 SYS 33 TIP3 O1 C -0.834000 15.9994 - 98 SYS 33 TIP3 H1 A 0.417000 1.0079 - 99 SYS 33 TIP3 H2 A 0.417000 1.0079 - 100 SYS 34 TIP3 O1 C -0.834000 15.9994 - 101 SYS 34 TIP3 H1 A 0.417000 1.0079 - 102 SYS 34 TIP3 H2 A 0.417000 1.0079 - 103 SYS 35 TIP3 O1 C -0.834000 15.9994 - 104 SYS 35 TIP3 H1 A 0.417000 1.0079 - 105 SYS 35 TIP3 H2 A 0.417000 1.0079 - 106 SYS 36 TIP3 O1 C -0.834000 15.9994 - 107 SYS 36 TIP3 H1 A 0.417000 1.0079 - 108 SYS 36 TIP3 H2 A 0.417000 1.0079 - 109 SYS 37 TIP3 O1 C -0.834000 15.9994 - 110 SYS 37 TIP3 H1 A 0.417000 1.0079 - 111 SYS 37 TIP3 H2 A 0.417000 1.0079 - 112 SYS 38 TIP3 O1 C -0.834000 15.9994 - 113 SYS 38 TIP3 H1 A 0.417000 1.0079 - 114 SYS 38 TIP3 H2 A 0.417000 1.0079 - 115 SYS 39 TIP3 O1 C -0.834000 15.9994 - 116 SYS 39 TIP3 H1 A 0.417000 1.0079 - 117 SYS 39 TIP3 H2 A 0.417000 1.0079 - 118 SYS 40 TIP3 O1 C -0.834000 15.9994 - 119 SYS 40 TIP3 H1 A 0.417000 1.0079 - 120 SYS 40 TIP3 H2 A 0.417000 1.0079 - 121 SYS 41 TIP3 O1 C -0.834000 15.9994 - 122 SYS 41 TIP3 H1 A 0.417000 1.0079 - 123 SYS 41 TIP3 H2 A 0.417000 1.0079 - 124 SYS 42 TIP3 O1 C -0.834000 15.9994 - 125 SYS 42 TIP3 H1 A 0.417000 1.0079 - 126 SYS 42 TIP3 H2 A 0.417000 1.0079 - 127 SYS 43 TIP3 O1 C -0.834000 15.9994 - 128 SYS 43 TIP3 H1 A 0.417000 1.0079 - 129 SYS 43 TIP3 H2 A 0.417000 1.0079 - 130 SYS 44 TIP3 O1 C -0.834000 15.9994 - 131 SYS 44 TIP3 H1 A 0.417000 1.0079 - 132 SYS 44 TIP3 H2 A 0.417000 1.0079 - 133 SYS 45 TIP3 O1 C -0.834000 15.9994 - 134 SYS 45 TIP3 H1 A 0.417000 1.0079 - 135 SYS 45 TIP3 H2 A 0.417000 1.0079 - 136 SYS 46 TIP3 O1 C -0.834000 15.9994 - 137 SYS 46 TIP3 H1 A 0.417000 1.0079 - 138 SYS 46 TIP3 H2 A 0.417000 1.0079 - 139 SYS 47 TIP3 O1 C -0.834000 15.9994 - 140 SYS 47 TIP3 H1 A 0.417000 1.0079 - 141 SYS 47 TIP3 H2 A 0.417000 1.0079 - 142 SYS 48 TIP3 O1 C -0.834000 15.9994 - 143 SYS 48 TIP3 H1 A 0.417000 1.0079 - 144 SYS 48 TIP3 H2 A 0.417000 1.0079 - 145 SYS 49 TIP3 O1 C -0.834000 15.9994 - 146 SYS 49 TIP3 H1 A 0.417000 1.0079 - 147 SYS 49 TIP3 H2 A 0.417000 1.0079 - 148 SYS 50 TIP3 O1 C -0.834000 15.9994 - 149 SYS 50 TIP3 H1 A 0.417000 1.0079 - 150 SYS 50 TIP3 H2 A 0.417000 1.0079 - 151 SYS 51 TIP3 O1 C -0.834000 15.9994 - 152 SYS 51 TIP3 H1 A 0.417000 1.0079 - 153 SYS 51 TIP3 H2 A 0.417000 1.0079 - 154 SYS 52 TIP3 O1 C -0.834000 15.9994 - 155 SYS 52 TIP3 H1 A 0.417000 1.0079 - 156 SYS 52 TIP3 H2 A 0.417000 1.0079 - 157 SYS 53 TIP3 O1 C -0.834000 15.9994 - 158 SYS 53 TIP3 H1 A 0.417000 1.0079 - 159 SYS 53 TIP3 H2 A 0.417000 1.0079 - 160 SYS 54 TIP3 O1 C -0.834000 15.9994 - 161 SYS 54 TIP3 H1 A 0.417000 1.0079 - 162 SYS 54 TIP3 H2 A 0.417000 1.0079 - 163 SYS 55 TIP3 O1 C -0.834000 15.9994 - 164 SYS 55 TIP3 H1 A 0.417000 1.0079 - 165 SYS 55 TIP3 H2 A 0.417000 1.0079 - 166 SYS 56 TIP3 O1 C -0.834000 15.9994 - 167 SYS 56 TIP3 H1 A 0.417000 1.0079 - 168 SYS 56 TIP3 H2 A 0.417000 1.0079 - 169 SYS 57 TIP3 O1 C -0.834000 15.9994 - 170 SYS 57 TIP3 H1 A 0.417000 1.0079 - 171 SYS 57 TIP3 H2 A 0.417000 1.0079 - 172 SYS 58 TIP3 O1 C -0.834000 15.9994 - 173 SYS 58 TIP3 H1 A 0.417000 1.0079 - 174 SYS 58 TIP3 H2 A 0.417000 1.0079 - 175 SYS 59 TIP3 O1 C -0.834000 15.9994 - 176 SYS 59 TIP3 H1 A 0.417000 1.0079 - 177 SYS 59 TIP3 H2 A 0.417000 1.0079 - 178 SYS 60 TIP3 O1 C -0.834000 15.9994 - 179 SYS 60 TIP3 H1 A 0.417000 1.0079 - 180 SYS 60 TIP3 H2 A 0.417000 1.0079 - 181 SYS 61 TIP3 O1 C -0.834000 15.9994 - 182 SYS 61 TIP3 H1 A 0.417000 1.0079 - 183 SYS 61 TIP3 H2 A 0.417000 1.0079 - 184 SYS 62 TIP3 O1 C -0.834000 15.9994 - 185 SYS 62 TIP3 H1 A 0.417000 1.0079 - 186 SYS 62 TIP3 H2 A 0.417000 1.0079 - 187 SYS 63 TIP3 O1 C -0.834000 15.9994 - 188 SYS 63 TIP3 H1 A 0.417000 1.0079 - 189 SYS 63 TIP3 H2 A 0.417000 1.0079 - 190 SYS 64 TIP3 O1 C -0.834000 15.9994 - 191 SYS 64 TIP3 H1 A 0.417000 1.0079 - 192 SYS 64 TIP3 H2 A 0.417000 1.0079 - 193 SYS 65 TIP3 O1 C -0.834000 15.9994 - 194 SYS 65 TIP3 H1 A 0.417000 1.0079 - 195 SYS 65 TIP3 H2 A 0.417000 1.0079 - 196 SYS 66 TIP3 O1 C -0.834000 15.9994 - 197 SYS 66 TIP3 H1 A 0.417000 1.0079 - 198 SYS 66 TIP3 H2 A 0.417000 1.0079 - 199 SYS 67 TIP3 O1 C -0.834000 15.9994 - 200 SYS 67 TIP3 H1 A 0.417000 1.0079 - 201 SYS 67 TIP3 H2 A 0.417000 1.0079 - 202 SYS 68 TIP3 O1 C -0.834000 15.9994 - 203 SYS 68 TIP3 H1 A 0.417000 1.0079 - 204 SYS 68 TIP3 H2 A 0.417000 1.0079 - 205 SYS 69 TIP3 O1 C -0.834000 15.9994 - 206 SYS 69 TIP3 H1 A 0.417000 1.0079 - 207 SYS 69 TIP3 H2 A 0.417000 1.0079 - 208 SYS 70 TIP3 O1 C -0.834000 15.9994 - 209 SYS 70 TIP3 H1 A 0.417000 1.0079 - 210 SYS 70 TIP3 H2 A 0.417000 1.0079 - 211 SYS 71 TIP3 O1 C -0.834000 15.9994 - 212 SYS 71 TIP3 H1 A 0.417000 1.0079 - 213 SYS 71 TIP3 H2 A 0.417000 1.0079 - 214 SYS 72 TIP3 O1 C -0.834000 15.9994 - 215 SYS 72 TIP3 H1 A 0.417000 1.0079 - 216 SYS 72 TIP3 H2 A 0.417000 1.0079 - 217 SYS 73 TIP3 O1 C -0.834000 15.9994 - 218 SYS 73 TIP3 H1 A 0.417000 1.0079 - 219 SYS 73 TIP3 H2 A 0.417000 1.0079 - 220 SYS 74 TIP3 O1 C -0.834000 15.9994 - 221 SYS 74 TIP3 H1 A 0.417000 1.0079 - 222 SYS 74 TIP3 H2 A 0.417000 1.0079 - 223 SYS 75 TIP3 O1 C -0.834000 15.9994 - 224 SYS 75 TIP3 H1 A 0.417000 1.0079 - 225 SYS 75 TIP3 H2 A 0.417000 1.0079 - 226 SYS 76 TIP3 O1 C -0.834000 15.9994 - 227 SYS 76 TIP3 H1 A 0.417000 1.0079 - 228 SYS 76 TIP3 H2 A 0.417000 1.0079 - 229 SYS 77 TIP3 O1 C -0.834000 15.9994 - 230 SYS 77 TIP3 H1 A 0.417000 1.0079 - 231 SYS 77 TIP3 H2 A 0.417000 1.0079 - 232 SYS 78 TIP3 O1 C -0.834000 15.9994 - 233 SYS 78 TIP3 H1 A 0.417000 1.0079 - 234 SYS 78 TIP3 H2 A 0.417000 1.0079 - 235 SYS 79 TIP3 O1 C -0.834000 15.9994 - 236 SYS 79 TIP3 H1 A 0.417000 1.0079 - 237 SYS 79 TIP3 H2 A 0.417000 1.0079 - 238 SYS 80 TIP3 O1 C -0.834000 15.9994 - 239 SYS 80 TIP3 H1 A 0.417000 1.0079 - 240 SYS 80 TIP3 H2 A 0.417000 1.0079 - 241 SYS 81 TIP3 O1 C -0.834000 15.9994 - 242 SYS 81 TIP3 H1 A 0.417000 1.0079 - 243 SYS 81 TIP3 H2 A 0.417000 1.0079 - 244 SYS 82 TIP3 O1 C -0.834000 15.9994 - 245 SYS 82 TIP3 H1 A 0.417000 1.0079 - 246 SYS 82 TIP3 H2 A 0.417000 1.0079 - 247 SYS 83 TIP3 O1 C -0.834000 15.9994 - 248 SYS 83 TIP3 H1 A 0.417000 1.0079 - 249 SYS 83 TIP3 H2 A 0.417000 1.0079 - 250 SYS 84 TIP3 O1 C -0.834000 15.9994 - 251 SYS 84 TIP3 H1 A 0.417000 1.0079 - 252 SYS 84 TIP3 H2 A 0.417000 1.0079 - 253 SYS 85 TIP3 O1 C -0.834000 15.9994 - 254 SYS 85 TIP3 H1 A 0.417000 1.0079 - 255 SYS 85 TIP3 H2 A 0.417000 1.0079 - 256 SYS 86 TIP3 O1 C -0.834000 15.9994 - 257 SYS 86 TIP3 H1 A 0.417000 1.0079 - 258 SYS 86 TIP3 H2 A 0.417000 1.0079 - 259 SYS 87 TIP3 O1 C -0.834000 15.9994 - 260 SYS 87 TIP3 H1 A 0.417000 1.0079 - 261 SYS 87 TIP3 H2 A 0.417000 1.0079 - 262 SYS 88 TIP3 O1 C -0.834000 15.9994 - 263 SYS 88 TIP3 H1 A 0.417000 1.0079 - 264 SYS 88 TIP3 H2 A 0.417000 1.0079 - 265 SYS 89 TIP3 O1 C -0.834000 15.9994 - 266 SYS 89 TIP3 H1 A 0.417000 1.0079 - 267 SYS 89 TIP3 H2 A 0.417000 1.0079 - 268 SYS 90 TIP3 O1 C -0.834000 15.9994 - 269 SYS 90 TIP3 H1 A 0.417000 1.0079 - 270 SYS 90 TIP3 H2 A 0.417000 1.0079 - 271 SYS 91 TIP3 O1 C -0.834000 15.9994 - 272 SYS 91 TIP3 H1 A 0.417000 1.0079 - 273 SYS 91 TIP3 H2 A 0.417000 1.0079 - 274 SYS 92 TIP3 O1 C -0.834000 15.9994 - 275 SYS 92 TIP3 H1 A 0.417000 1.0079 - 276 SYS 92 TIP3 H2 A 0.417000 1.0079 - 277 SYS 93 TIP3 O1 C -0.834000 15.9994 - 278 SYS 93 TIP3 H1 A 0.417000 1.0079 - 279 SYS 93 TIP3 H2 A 0.417000 1.0079 - 280 SYS 94 TIP3 O1 C -0.834000 15.9994 - 281 SYS 94 TIP3 H1 A 0.417000 1.0079 - 282 SYS 94 TIP3 H2 A 0.417000 1.0079 - 283 SYS 95 TIP3 O1 C -0.834000 15.9994 - 284 SYS 95 TIP3 H1 A 0.417000 1.0079 - 285 SYS 95 TIP3 H2 A 0.417000 1.0079 - 286 SYS 96 TIP3 O1 C -0.834000 15.9994 - 287 SYS 96 TIP3 H1 A 0.417000 1.0079 - 288 SYS 96 TIP3 H2 A 0.417000 1.0079 - 289 SYS 97 TIP3 O1 C -0.834000 15.9994 - 290 SYS 97 TIP3 H1 A 0.417000 1.0079 - 291 SYS 97 TIP3 H2 A 0.417000 1.0079 - 292 SYS 98 TIP3 O1 C -0.834000 15.9994 - 293 SYS 98 TIP3 H1 A 0.417000 1.0079 - 294 SYS 98 TIP3 H2 A 0.417000 1.0079 - 295 SYS 99 TIP3 O1 C -0.834000 15.9994 - 296 SYS 99 TIP3 H1 A 0.417000 1.0079 - 297 SYS 99 TIP3 H2 A 0.417000 1.0079 - 298 SYS 100 TIP3 O1 C -0.834000 15.9994 - 299 SYS 100 TIP3 H1 A 0.417000 1.0079 - 300 SYS 100 TIP3 H2 A 0.417000 1.0079 - 301 SYS 101 TIP3 O1 C -0.834000 15.9994 - 302 SYS 101 TIP3 H1 A 0.417000 1.0079 - 303 SYS 101 TIP3 H2 A 0.417000 1.0079 - 304 SYS 102 TIP3 O1 C -0.834000 15.9994 - 305 SYS 102 TIP3 H1 A 0.417000 1.0079 - 306 SYS 102 TIP3 H2 A 0.417000 1.0079 - 307 SYS 103 TIP3 O1 C -0.834000 15.9994 - 308 SYS 103 TIP3 H1 A 0.417000 1.0079 - 309 SYS 103 TIP3 H2 A 0.417000 1.0079 - 310 SYS 104 TIP3 O1 C -0.834000 15.9994 - 311 SYS 104 TIP3 H1 A 0.417000 1.0079 - 312 SYS 104 TIP3 H2 A 0.417000 1.0079 - 313 SYS 105 TIP3 O1 C -0.834000 15.9994 - 314 SYS 105 TIP3 H1 A 0.417000 1.0079 - 315 SYS 105 TIP3 H2 A 0.417000 1.0079 - 316 SYS 106 TIP3 O1 C -0.834000 15.9994 - 317 SYS 106 TIP3 H1 A 0.417000 1.0079 - 318 SYS 106 TIP3 H2 A 0.417000 1.0079 - 319 SYS 107 TIP3 O1 C -0.834000 15.9994 - 320 SYS 107 TIP3 H1 A 0.417000 1.0079 - 321 SYS 107 TIP3 H2 A 0.417000 1.0079 - 322 SYS 108 TIP3 O1 C -0.834000 15.9994 - 323 SYS 108 TIP3 H1 A 0.417000 1.0079 - 324 SYS 108 TIP3 H2 A 0.417000 1.0079 - 325 SYS 109 TIP3 O1 C -0.834000 15.9994 - 326 SYS 109 TIP3 H1 A 0.417000 1.0079 - 327 SYS 109 TIP3 H2 A 0.417000 1.0079 - 328 SYS 110 TIP3 O1 C -0.834000 15.9994 - 329 SYS 110 TIP3 H1 A 0.417000 1.0079 - 330 SYS 110 TIP3 H2 A 0.417000 1.0079 - 331 SYS 111 TIP3 O1 C -0.834000 15.9994 - 332 SYS 111 TIP3 H1 A 0.417000 1.0079 - 333 SYS 111 TIP3 H2 A 0.417000 1.0079 - 334 SYS 112 TIP3 O1 C -0.834000 15.9994 - 335 SYS 112 TIP3 H1 A 0.417000 1.0079 - 336 SYS 112 TIP3 H2 A 0.417000 1.0079 - 337 SYS 113 TIP3 O1 C -0.834000 15.9994 - 338 SYS 113 TIP3 H1 A 0.417000 1.0079 - 339 SYS 113 TIP3 H2 A 0.417000 1.0079 - 340 SYS 114 TIP3 O1 C -0.834000 15.9994 - 341 SYS 114 TIP3 H1 A 0.417000 1.0079 - 342 SYS 114 TIP3 H2 A 0.417000 1.0079 - 343 SYS 115 TIP3 O1 C -0.834000 15.9994 - 344 SYS 115 TIP3 H1 A 0.417000 1.0079 - 345 SYS 115 TIP3 H2 A 0.417000 1.0079 - 346 SYS 116 TIP3 O1 C -0.834000 15.9994 - 347 SYS 116 TIP3 H1 A 0.417000 1.0079 - 348 SYS 116 TIP3 H2 A 0.417000 1.0079 - 349 SYS 117 TIP3 O1 C -0.834000 15.9994 - 350 SYS 117 TIP3 H1 A 0.417000 1.0079 - 351 SYS 117 TIP3 H2 A 0.417000 1.0079 - 352 SYS 118 TIP3 O1 C -0.834000 15.9994 - 353 SYS 118 TIP3 H1 A 0.417000 1.0079 - 354 SYS 118 TIP3 H2 A 0.417000 1.0079 - 355 SYS 119 TIP3 O1 C -0.834000 15.9994 - 356 SYS 119 TIP3 H1 A 0.417000 1.0079 - 357 SYS 119 TIP3 H2 A 0.417000 1.0079 - 358 SYS 120 TIP3 O1 C -0.834000 15.9994 - 359 SYS 120 TIP3 H1 A 0.417000 1.0079 - 360 SYS 120 TIP3 H2 A 0.417000 1.0079 - 361 SYS 121 TIP3 O1 C -0.834000 15.9994 - 362 SYS 121 TIP3 H1 A 0.417000 1.0079 - 363 SYS 121 TIP3 H2 A 0.417000 1.0079 - 364 SYS 122 TIP3 O1 C -0.834000 15.9994 - 365 SYS 122 TIP3 H1 A 0.417000 1.0079 - 366 SYS 122 TIP3 H2 A 0.417000 1.0079 - 367 SYS 123 TIP3 O1 C -0.834000 15.9994 - 368 SYS 123 TIP3 H1 A 0.417000 1.0079 - 369 SYS 123 TIP3 H2 A 0.417000 1.0079 - 370 SYS 124 TIP3 O1 C -0.834000 15.9994 - 371 SYS 124 TIP3 H1 A 0.417000 1.0079 - 372 SYS 124 TIP3 H2 A 0.417000 1.0079 - 373 SYS 125 TIP3 O1 C -0.834000 15.9994 - 374 SYS 125 TIP3 H1 A 0.417000 1.0079 - 375 SYS 125 TIP3 H2 A 0.417000 1.0079 - 376 SYS 126 TIP3 O1 C -0.834000 15.9994 - 377 SYS 126 TIP3 H1 A 0.417000 1.0079 - 378 SYS 126 TIP3 H2 A 0.417000 1.0079 - 379 SYS 127 TIP3 O1 C -0.834000 15.9994 - 380 SYS 127 TIP3 H1 A 0.417000 1.0079 - 381 SYS 127 TIP3 H2 A 0.417000 1.0079 - 382 SYS 128 TIP3 O1 C -0.834000 15.9994 - 383 SYS 128 TIP3 H1 A 0.417000 1.0079 - 384 SYS 128 TIP3 H2 A 0.417000 1.0079 - 385 SYS 129 TIP3 O1 C -0.834000 15.9994 - 386 SYS 129 TIP3 H1 A 0.417000 1.0079 - 387 SYS 129 TIP3 H2 A 0.417000 1.0079 - 388 SYS 130 TIP3 O1 C -0.834000 15.9994 - 389 SYS 130 TIP3 H1 A 0.417000 1.0079 - 390 SYS 130 TIP3 H2 A 0.417000 1.0079 - 391 SYS 131 TIP3 O1 C -0.834000 15.9994 - 392 SYS 131 TIP3 H1 A 0.417000 1.0079 - 393 SYS 131 TIP3 H2 A 0.417000 1.0079 - 394 SYS 132 TIP3 O1 C -0.834000 15.9994 - 395 SYS 132 TIP3 H1 A 0.417000 1.0079 - 396 SYS 132 TIP3 H2 A 0.417000 1.0079 - 397 SYS 133 TIP3 O1 C -0.834000 15.9994 - 398 SYS 133 TIP3 H1 A 0.417000 1.0079 - 399 SYS 133 TIP3 H2 A 0.417000 1.0079 - 400 SYS 134 TIP3 O1 C -0.834000 15.9994 - 401 SYS 134 TIP3 H1 A 0.417000 1.0079 - 402 SYS 134 TIP3 H2 A 0.417000 1.0079 - 403 SYS 135 TIP3 O1 C -0.834000 15.9994 - 404 SYS 135 TIP3 H1 A 0.417000 1.0079 - 405 SYS 135 TIP3 H2 A 0.417000 1.0079 - 406 SYS 136 TIP3 O1 C -0.834000 15.9994 - 407 SYS 136 TIP3 H1 A 0.417000 1.0079 - 408 SYS 136 TIP3 H2 A 0.417000 1.0079 - 409 SYS 137 TIP3 O1 C -0.834000 15.9994 - 410 SYS 137 TIP3 H1 A 0.417000 1.0079 - 411 SYS 137 TIP3 H2 A 0.417000 1.0079 - 412 SYS 138 TIP3 O1 C -0.834000 15.9994 - 413 SYS 138 TIP3 H1 A 0.417000 1.0079 - 414 SYS 138 TIP3 H2 A 0.417000 1.0079 - 415 SYS 139 TIP3 O1 C -0.834000 15.9994 - 416 SYS 139 TIP3 H1 A 0.417000 1.0079 - 417 SYS 139 TIP3 H2 A 0.417000 1.0079 - 418 SYS 140 TIP3 O1 C -0.834000 15.9994 - 419 SYS 140 TIP3 H1 A 0.417000 1.0079 - 420 SYS 140 TIP3 H2 A 0.417000 1.0079 - 421 SYS 141 TIP3 O1 C -0.834000 15.9994 - 422 SYS 141 TIP3 H1 A 0.417000 1.0079 - 423 SYS 141 TIP3 H2 A 0.417000 1.0079 - 424 SYS 142 TIP3 O1 C -0.834000 15.9994 - 425 SYS 142 TIP3 H1 A 0.417000 1.0079 - 426 SYS 142 TIP3 H2 A 0.417000 1.0079 - 427 SYS 143 TIP3 O1 C -0.834000 15.9994 - 428 SYS 143 TIP3 H1 A 0.417000 1.0079 - 429 SYS 143 TIP3 H2 A 0.417000 1.0079 - 430 SYS 144 TIP3 O1 C -0.834000 15.9994 - 431 SYS 144 TIP3 H1 A 0.417000 1.0079 - 432 SYS 144 TIP3 H2 A 0.417000 1.0079 - 433 SYS 145 TIP3 O1 C -0.834000 15.9994 - 434 SYS 145 TIP3 H1 A 0.417000 1.0079 - 435 SYS 145 TIP3 H2 A 0.417000 1.0079 - 436 SYS 146 TIP3 O1 C -0.834000 15.9994 - 437 SYS 146 TIP3 H1 A 0.417000 1.0079 - 438 SYS 146 TIP3 H2 A 0.417000 1.0079 - 439 SYS 147 TIP3 O1 C -0.834000 15.9994 - 440 SYS 147 TIP3 H1 A 0.417000 1.0079 - 441 SYS 147 TIP3 H2 A 0.417000 1.0079 - 442 SYS 148 TIP3 O1 C -0.834000 15.9994 - 443 SYS 148 TIP3 H1 A 0.417000 1.0079 - 444 SYS 148 TIP3 H2 A 0.417000 1.0079 - 445 SYS 149 TIP3 O1 C -0.834000 15.9994 - 446 SYS 149 TIP3 H1 A 0.417000 1.0079 - 447 SYS 149 TIP3 H2 A 0.417000 1.0079 - 448 SYS 150 TIP3 O1 C -0.834000 15.9994 - 449 SYS 150 TIP3 H1 A 0.417000 1.0079 - 450 SYS 150 TIP3 H2 A 0.417000 1.0079 - 451 SYS 151 TIP3 O1 C -0.834000 15.9994 - 452 SYS 151 TIP3 H1 A 0.417000 1.0079 - 453 SYS 151 TIP3 H2 A 0.417000 1.0079 - 454 SYS 152 TIP3 O1 C -0.834000 15.9994 - 455 SYS 152 TIP3 H1 A 0.417000 1.0079 - 456 SYS 152 TIP3 H2 A 0.417000 1.0079 - 457 SYS 153 TIP3 O1 C -0.834000 15.9994 - 458 SYS 153 TIP3 H1 A 0.417000 1.0079 - 459 SYS 153 TIP3 H2 A 0.417000 1.0079 - 460 SYS 154 TIP3 O1 C -0.834000 15.9994 - 461 SYS 154 TIP3 H1 A 0.417000 1.0079 - 462 SYS 154 TIP3 H2 A 0.417000 1.0079 - 463 SYS 155 TIP3 O1 C -0.834000 15.9994 - 464 SYS 155 TIP3 H1 A 0.417000 1.0079 - 465 SYS 155 TIP3 H2 A 0.417000 1.0079 - 466 SYS 156 TIP3 O1 C -0.834000 15.9994 - 467 SYS 156 TIP3 H1 A 0.417000 1.0079 - 468 SYS 156 TIP3 H2 A 0.417000 1.0079 - 469 SYS 157 TIP3 O1 C -0.834000 15.9994 - 470 SYS 157 TIP3 H1 A 0.417000 1.0079 - 471 SYS 157 TIP3 H2 A 0.417000 1.0079 - 472 SYS 158 TIP3 O1 C -0.834000 15.9994 - 473 SYS 158 TIP3 H1 A 0.417000 1.0079 - 474 SYS 158 TIP3 H2 A 0.417000 1.0079 - 475 SYS 159 TIP3 O1 C -0.834000 15.9994 - 476 SYS 159 TIP3 H1 A 0.417000 1.0079 - 477 SYS 159 TIP3 H2 A 0.417000 1.0079 - 478 SYS 160 TIP3 O1 C -0.834000 15.9994 - 479 SYS 160 TIP3 H1 A 0.417000 1.0079 - 480 SYS 160 TIP3 H2 A 0.417000 1.0079 - 481 SYS 161 TIP3 O1 C -0.834000 15.9994 - 482 SYS 161 TIP3 H1 A 0.417000 1.0079 - 483 SYS 161 TIP3 H2 A 0.417000 1.0079 - 484 SYS 162 TIP3 O1 C -0.834000 15.9994 - 485 SYS 162 TIP3 H1 A 0.417000 1.0079 - 486 SYS 162 TIP3 H2 A 0.417000 1.0079 - 487 SYS 163 TIP3 O1 C -0.834000 15.9994 - 488 SYS 163 TIP3 H1 A 0.417000 1.0079 - 489 SYS 163 TIP3 H2 A 0.417000 1.0079 - 490 SYS 164 TIP3 O1 C -0.834000 15.9994 - 491 SYS 164 TIP3 H1 A 0.417000 1.0079 - 492 SYS 164 TIP3 H2 A 0.417000 1.0079 - 493 SYS 165 TIP3 O1 C -0.834000 15.9994 - 494 SYS 165 TIP3 H1 A 0.417000 1.0079 - 495 SYS 165 TIP3 H2 A 0.417000 1.0079 - 496 SYS 166 TIP3 O1 C -0.834000 15.9994 - 497 SYS 166 TIP3 H1 A 0.417000 1.0079 - 498 SYS 166 TIP3 H2 A 0.417000 1.0079 - 499 SYS 167 TIP3 O1 C -0.834000 15.9994 - 500 SYS 167 TIP3 H1 A 0.417000 1.0079 - 501 SYS 167 TIP3 H2 A 0.417000 1.0079 - 502 SYS 168 TIP3 O1 C -0.834000 15.9994 - 503 SYS 168 TIP3 H1 A 0.417000 1.0079 - 504 SYS 168 TIP3 H2 A 0.417000 1.0079 - 505 SYS 169 TIP3 O1 C -0.834000 15.9994 - 506 SYS 169 TIP3 H1 A 0.417000 1.0079 - 507 SYS 169 TIP3 H2 A 0.417000 1.0079 - 508 SYS 170 TIP3 O1 C -0.834000 15.9994 - 509 SYS 170 TIP3 H1 A 0.417000 1.0079 - 510 SYS 170 TIP3 H2 A 0.417000 1.0079 - 511 SYS 171 TIP3 O1 C -0.834000 15.9994 - 512 SYS 171 TIP3 H1 A 0.417000 1.0079 - 513 SYS 171 TIP3 H2 A 0.417000 1.0079 - 514 SYS 172 TIP3 O1 C -0.834000 15.9994 - 515 SYS 172 TIP3 H1 A 0.417000 1.0079 - 516 SYS 172 TIP3 H2 A 0.417000 1.0079 - 517 SYS 173 TIP3 O1 C -0.834000 15.9994 - 518 SYS 173 TIP3 H1 A 0.417000 1.0079 - 519 SYS 173 TIP3 H2 A 0.417000 1.0079 - 520 SYS 174 TIP3 O1 C -0.834000 15.9994 - 521 SYS 174 TIP3 H1 A 0.417000 1.0079 - 522 SYS 174 TIP3 H2 A 0.417000 1.0079 - 523 SYS 175 TIP3 O1 C -0.834000 15.9994 - 524 SYS 175 TIP3 H1 A 0.417000 1.0079 - 525 SYS 175 TIP3 H2 A 0.417000 1.0079 - 526 SYS 176 TIP3 O1 C -0.834000 15.9994 - 527 SYS 176 TIP3 H1 A 0.417000 1.0079 - 528 SYS 176 TIP3 H2 A 0.417000 1.0079 - 529 SYS 177 TIP3 O1 C -0.834000 15.9994 - 530 SYS 177 TIP3 H1 A 0.417000 1.0079 - 531 SYS 177 TIP3 H2 A 0.417000 1.0079 - 532 SYS 178 TIP3 O1 C -0.834000 15.9994 - 533 SYS 178 TIP3 H1 A 0.417000 1.0079 - 534 SYS 178 TIP3 H2 A 0.417000 1.0079 - 535 SYS 179 TIP3 O1 C -0.834000 15.9994 - 536 SYS 179 TIP3 H1 A 0.417000 1.0079 - 537 SYS 179 TIP3 H2 A 0.417000 1.0079 - 538 SYS 180 TIP3 O1 C -0.834000 15.9994 - 539 SYS 180 TIP3 H1 A 0.417000 1.0079 - 540 SYS 180 TIP3 H2 A 0.417000 1.0079 - 541 SYS 181 TIP3 O1 C -0.834000 15.9994 - 542 SYS 181 TIP3 H1 A 0.417000 1.0079 - 543 SYS 181 TIP3 H2 A 0.417000 1.0079 - 544 SYS 182 TIP3 O1 C -0.834000 15.9994 - 545 SYS 182 TIP3 H1 A 0.417000 1.0079 - 546 SYS 182 TIP3 H2 A 0.417000 1.0079 - 547 SYS 183 TIP3 O1 C -0.834000 15.9994 - 548 SYS 183 TIP3 H1 A 0.417000 1.0079 - 549 SYS 183 TIP3 H2 A 0.417000 1.0079 - 550 SYS 184 TIP3 O1 C -0.834000 15.9994 - 551 SYS 184 TIP3 H1 A 0.417000 1.0079 - 552 SYS 184 TIP3 H2 A 0.417000 1.0079 - 553 SYS 185 TIP3 O1 C -0.834000 15.9994 - 554 SYS 185 TIP3 H1 A 0.417000 1.0079 - 555 SYS 185 TIP3 H2 A 0.417000 1.0079 - 556 SYS 186 TIP3 O1 C -0.834000 15.9994 - 557 SYS 186 TIP3 H1 A 0.417000 1.0079 - 558 SYS 186 TIP3 H2 A 0.417000 1.0079 - 559 SYS 187 TIP3 O1 C -0.834000 15.9994 - 560 SYS 187 TIP3 H1 A 0.417000 1.0079 - 561 SYS 187 TIP3 H2 A 0.417000 1.0079 - 562 SYS 188 TIP3 O1 C -0.834000 15.9994 - 563 SYS 188 TIP3 H1 A 0.417000 1.0079 - 564 SYS 188 TIP3 H2 A 0.417000 1.0079 - 565 SYS 189 TIP3 O1 C -0.834000 15.9994 - 566 SYS 189 TIP3 H1 A 0.417000 1.0079 - 567 SYS 189 TIP3 H2 A 0.417000 1.0079 - 568 SYS 190 TIP3 O1 C -0.834000 15.9994 - 569 SYS 190 TIP3 H1 A 0.417000 1.0079 - 570 SYS 190 TIP3 H2 A 0.417000 1.0079 - 571 SYS 191 TIP3 O1 C -0.834000 15.9994 - 572 SYS 191 TIP3 H1 A 0.417000 1.0079 - 573 SYS 191 TIP3 H2 A 0.417000 1.0079 - 574 SYS 192 TIP3 O1 C -0.834000 15.9994 - 575 SYS 192 TIP3 H1 A 0.417000 1.0079 - 576 SYS 192 TIP3 H2 A 0.417000 1.0079 - 577 SYS 193 TIP3 O1 C -0.834000 15.9994 - 578 SYS 193 TIP3 H1 A 0.417000 1.0079 - 579 SYS 193 TIP3 H2 A 0.417000 1.0079 - 580 SYS 194 TIP3 O1 C -0.834000 15.9994 - 581 SYS 194 TIP3 H1 A 0.417000 1.0079 - 582 SYS 194 TIP3 H2 A 0.417000 1.0079 - 583 SYS 195 TIP3 O1 C -0.834000 15.9994 - 584 SYS 195 TIP3 H1 A 0.417000 1.0079 - 585 SYS 195 TIP3 H2 A 0.417000 1.0079 - 586 SYS 196 TIP3 O1 C -0.834000 15.9994 - 587 SYS 196 TIP3 H1 A 0.417000 1.0079 - 588 SYS 196 TIP3 H2 A 0.417000 1.0079 - 589 SYS 197 TIP3 O1 C -0.834000 15.9994 - 590 SYS 197 TIP3 H1 A 0.417000 1.0079 - 591 SYS 197 TIP3 H2 A 0.417000 1.0079 - 592 SYS 198 TIP3 O1 C -0.834000 15.9994 - 593 SYS 198 TIP3 H1 A 0.417000 1.0079 - 594 SYS 198 TIP3 H2 A 0.417000 1.0079 - 595 SYS 199 TIP3 O1 C -0.834000 15.9994 - 596 SYS 199 TIP3 H1 A 0.417000 1.0079 - 597 SYS 199 TIP3 H2 A 0.417000 1.0079 - 598 SYS 200 TIP3 O1 C -0.834000 15.9994 - 599 SYS 200 TIP3 H1 A 0.417000 1.0079 - 600 SYS 200 TIP3 H2 A 0.417000 1.0079 - 601 SYS 201 TIP3 O1 C -0.834000 15.9994 - 602 SYS 201 TIP3 H1 A 0.417000 1.0079 - 603 SYS 201 TIP3 H2 A 0.417000 1.0079 - 604 SYS 202 TIP3 O1 C -0.834000 15.9994 - 605 SYS 202 TIP3 H1 A 0.417000 1.0079 - 606 SYS 202 TIP3 H2 A 0.417000 1.0079 - 607 SYS 203 TIP3 O1 C -0.834000 15.9994 - 608 SYS 203 TIP3 H1 A 0.417000 1.0079 - 609 SYS 203 TIP3 H2 A 0.417000 1.0079 - 610 SYS 204 TIP3 O1 C -0.834000 15.9994 - 611 SYS 204 TIP3 H1 A 0.417000 1.0079 - 612 SYS 204 TIP3 H2 A 0.417000 1.0079 - 613 SYS 205 TIP3 O1 C -0.834000 15.9994 - 614 SYS 205 TIP3 H1 A 0.417000 1.0079 - 615 SYS 205 TIP3 H2 A 0.417000 1.0079 - 616 SYS 206 TIP3 O1 C -0.834000 15.9994 - 617 SYS 206 TIP3 H1 A 0.417000 1.0079 - 618 SYS 206 TIP3 H2 A 0.417000 1.0079 - 619 SYS 207 TIP3 O1 C -0.834000 15.9994 - 620 SYS 207 TIP3 H1 A 0.417000 1.0079 - 621 SYS 207 TIP3 H2 A 0.417000 1.0079 - 622 SYS 208 TIP3 O1 C -0.834000 15.9994 - 623 SYS 208 TIP3 H1 A 0.417000 1.0079 - 624 SYS 208 TIP3 H2 A 0.417000 1.0079 - 625 SYS 209 TIP3 O1 C -0.834000 15.9994 - 626 SYS 209 TIP3 H1 A 0.417000 1.0079 - 627 SYS 209 TIP3 H2 A 0.417000 1.0079 - 628 SYS 210 TIP3 O1 C -0.834000 15.9994 - 629 SYS 210 TIP3 H1 A 0.417000 1.0079 - 630 SYS 210 TIP3 H2 A 0.417000 1.0079 - 631 SYS 211 TIP3 O1 C -0.834000 15.9994 - 632 SYS 211 TIP3 H1 A 0.417000 1.0079 - 633 SYS 211 TIP3 H2 A 0.417000 1.0079 - 634 SYS 212 TIP3 O1 C -0.834000 15.9994 - 635 SYS 212 TIP3 H1 A 0.417000 1.0079 - 636 SYS 212 TIP3 H2 A 0.417000 1.0079 - 637 SYS 213 TIP3 O1 C -0.834000 15.9994 - 638 SYS 213 TIP3 H1 A 0.417000 1.0079 - 639 SYS 213 TIP3 H2 A 0.417000 1.0079 - 640 SYS 214 TIP3 O1 C -0.834000 15.9994 - 641 SYS 214 TIP3 H1 A 0.417000 1.0079 - 642 SYS 214 TIP3 H2 A 0.417000 1.0079 - 643 SYS 215 TIP3 O1 C -0.834000 15.9994 - 644 SYS 215 TIP3 H1 A 0.417000 1.0079 - 645 SYS 215 TIP3 H2 A 0.417000 1.0079 - 646 SYS 216 TIP3 O1 C -0.834000 15.9994 - 647 SYS 216 TIP3 H1 A 0.417000 1.0079 - 648 SYS 216 TIP3 H2 A 0.417000 1.0079 - 649 SYS 217 TIP3 O1 C -0.834000 15.9994 - 650 SYS 217 TIP3 H1 A 0.417000 1.0079 - 651 SYS 217 TIP3 H2 A 0.417000 1.0079 - 652 SYS 218 TIP3 O1 C -0.834000 15.9994 - 653 SYS 218 TIP3 H1 A 0.417000 1.0079 - 654 SYS 218 TIP3 H2 A 0.417000 1.0079 - 655 SYS 219 TIP3 O1 C -0.834000 15.9994 - 656 SYS 219 TIP3 H1 A 0.417000 1.0079 - 657 SYS 219 TIP3 H2 A 0.417000 1.0079 - 658 SYS 220 TIP3 O1 C -0.834000 15.9994 - 659 SYS 220 TIP3 H1 A 0.417000 1.0079 - 660 SYS 220 TIP3 H2 A 0.417000 1.0079 - 661 SYS 221 TIP3 O1 C -0.834000 15.9994 - 662 SYS 221 TIP3 H1 A 0.417000 1.0079 - 663 SYS 221 TIP3 H2 A 0.417000 1.0079 - 664 SYS 222 TIP3 O1 C -0.834000 15.9994 - 665 SYS 222 TIP3 H1 A 0.417000 1.0079 - 666 SYS 222 TIP3 H2 A 0.417000 1.0079 - 667 SYS 223 TIP3 O1 C -0.834000 15.9994 - 668 SYS 223 TIP3 H1 A 0.417000 1.0079 - 669 SYS 223 TIP3 H2 A 0.417000 1.0079 - 670 SYS 224 TIP3 O1 C -0.834000 15.9994 - 671 SYS 224 TIP3 H1 A 0.417000 1.0079 - 672 SYS 224 TIP3 H2 A 0.417000 1.0079 - 673 SYS 225 TIP3 O1 C -0.834000 15.9994 - 674 SYS 225 TIP3 H1 A 0.417000 1.0079 - 675 SYS 225 TIP3 H2 A 0.417000 1.0079 - 676 SYS 226 TIP3 O1 C -0.834000 15.9994 - 677 SYS 226 TIP3 H1 A 0.417000 1.0079 - 678 SYS 226 TIP3 H2 A 0.417000 1.0079 - 679 SYS 227 TIP3 O1 C -0.834000 15.9994 - 680 SYS 227 TIP3 H1 A 0.417000 1.0079 - 681 SYS 227 TIP3 H2 A 0.417000 1.0079 - 682 SYS 228 TIP3 O1 C -0.834000 15.9994 - 683 SYS 228 TIP3 H1 A 0.417000 1.0079 - 684 SYS 228 TIP3 H2 A 0.417000 1.0079 - 685 SYS 229 TIP3 O1 C -0.834000 15.9994 - 686 SYS 229 TIP3 H1 A 0.417000 1.0079 - 687 SYS 229 TIP3 H2 A 0.417000 1.0079 - 688 SYS 230 TIP3 O1 C -0.834000 15.9994 - 689 SYS 230 TIP3 H1 A 0.417000 1.0079 - 690 SYS 230 TIP3 H2 A 0.417000 1.0079 - 691 SYS 231 TIP3 O1 C -0.834000 15.9994 - 692 SYS 231 TIP3 H1 A 0.417000 1.0079 - 693 SYS 231 TIP3 H2 A 0.417000 1.0079 - 694 SYS 232 TIP3 O1 C -0.834000 15.9994 - 695 SYS 232 TIP3 H1 A 0.417000 1.0079 - 696 SYS 232 TIP3 H2 A 0.417000 1.0079 - 697 SYS 233 TIP3 O1 C -0.834000 15.9994 - 698 SYS 233 TIP3 H1 A 0.417000 1.0079 - 699 SYS 233 TIP3 H2 A 0.417000 1.0079 - 700 SYS 234 TIP3 O1 C -0.834000 15.9994 - 701 SYS 234 TIP3 H1 A 0.417000 1.0079 - 702 SYS 234 TIP3 H2 A 0.417000 1.0079 - 703 SYS 235 TIP3 O1 C -0.834000 15.9994 - 704 SYS 235 TIP3 H1 A 0.417000 1.0079 - 705 SYS 235 TIP3 H2 A 0.417000 1.0079 - 706 SYS 236 TIP3 O1 C -0.834000 15.9994 - 707 SYS 236 TIP3 H1 A 0.417000 1.0079 - 708 SYS 236 TIP3 H2 A 0.417000 1.0079 - 709 SYS 237 TIP3 O1 C -0.834000 15.9994 - 710 SYS 237 TIP3 H1 A 0.417000 1.0079 - 711 SYS 237 TIP3 H2 A 0.417000 1.0079 - 712 SYS 238 TIP3 O1 C -0.834000 15.9994 - 713 SYS 238 TIP3 H1 A 0.417000 1.0079 - 714 SYS 238 TIP3 H2 A 0.417000 1.0079 - 715 SYS 239 TIP3 O1 C -0.834000 15.9994 - 716 SYS 239 TIP3 H1 A 0.417000 1.0079 - 717 SYS 239 TIP3 H2 A 0.417000 1.0079 - 718 SYS 240 TIP3 O1 C -0.834000 15.9994 - 719 SYS 240 TIP3 H1 A 0.417000 1.0079 - 720 SYS 240 TIP3 H2 A 0.417000 1.0079 - 721 SYS 241 TIP3 O1 C -0.834000 15.9994 - 722 SYS 241 TIP3 H1 A 0.417000 1.0079 - 723 SYS 241 TIP3 H2 A 0.417000 1.0079 - 724 SYS 242 TIP3 O1 C -0.834000 15.9994 - 725 SYS 242 TIP3 H1 A 0.417000 1.0079 - 726 SYS 242 TIP3 H2 A 0.417000 1.0079 - 727 SYS 243 TIP3 O1 C -0.834000 15.9994 - 728 SYS 243 TIP3 H1 A 0.417000 1.0079 - 729 SYS 243 TIP3 H2 A 0.417000 1.0079 - 730 SYS 244 TIP3 O1 C -0.834000 15.9994 - 731 SYS 244 TIP3 H1 A 0.417000 1.0079 - 732 SYS 244 TIP3 H2 A 0.417000 1.0079 - 733 SYS 245 TIP3 O1 C -0.834000 15.9994 - 734 SYS 245 TIP3 H1 A 0.417000 1.0079 - 735 SYS 245 TIP3 H2 A 0.417000 1.0079 - 736 SYS 246 TIP3 O1 C -0.834000 15.9994 - 737 SYS 246 TIP3 H1 A 0.417000 1.0079 - 738 SYS 246 TIP3 H2 A 0.417000 1.0079 - 739 SYS 247 TIP3 O1 C -0.834000 15.9994 - 740 SYS 247 TIP3 H1 A 0.417000 1.0079 - 741 SYS 247 TIP3 H2 A 0.417000 1.0079 - 742 SYS 248 TIP3 O1 C -0.834000 15.9994 - 743 SYS 248 TIP3 H1 A 0.417000 1.0079 - 744 SYS 248 TIP3 H2 A 0.417000 1.0079 - 745 SYS 249 TIP3 O1 C -0.834000 15.9994 - 746 SYS 249 TIP3 H1 A 0.417000 1.0079 - 747 SYS 249 TIP3 H2 A 0.417000 1.0079 - 748 SYS 250 TIP3 O1 C -0.834000 15.9994 - 749 SYS 250 TIP3 H1 A 0.417000 1.0079 - 750 SYS 250 TIP3 H2 A 0.417000 1.0079 - 751 SYS 251 TIP3 O1 C -0.834000 15.9994 - 752 SYS 251 TIP3 H1 A 0.417000 1.0079 - 753 SYS 251 TIP3 H2 A 0.417000 1.0079 - 754 SYS 252 TIP3 O1 C -0.834000 15.9994 - 755 SYS 252 TIP3 H1 A 0.417000 1.0079 - 756 SYS 252 TIP3 H2 A 0.417000 1.0079 - 757 SYS 253 TIP3 O1 C -0.834000 15.9994 - 758 SYS 253 TIP3 H1 A 0.417000 1.0079 - 759 SYS 253 TIP3 H2 A 0.417000 1.0079 - 760 SYS 254 TIP3 O1 C -0.834000 15.9994 - 761 SYS 254 TIP3 H1 A 0.417000 1.0079 - 762 SYS 254 TIP3 H2 A 0.417000 1.0079 - 763 SYS 255 TIP3 O1 C -0.834000 15.9994 - 764 SYS 255 TIP3 H1 A 0.417000 1.0079 - 765 SYS 255 TIP3 H2 A 0.417000 1.0079 - 766 SYS 256 TIP3 O1 C -0.834000 15.9994 - 767 SYS 256 TIP3 H1 A 0.417000 1.0079 - 768 SYS 256 TIP3 H2 A 0.417000 1.0079 - 769 SYS 257 TIP3 O1 C -0.834000 15.9994 - 770 SYS 257 TIP3 H1 A 0.417000 1.0079 - 771 SYS 257 TIP3 H2 A 0.417000 1.0079 - 772 SYS 258 TIP3 O1 C -0.834000 15.9994 - 773 SYS 258 TIP3 H1 A 0.417000 1.0079 - 774 SYS 258 TIP3 H2 A 0.417000 1.0079 - 775 SYS 259 TIP3 O1 C -0.834000 15.9994 - 776 SYS 259 TIP3 H1 A 0.417000 1.0079 - 777 SYS 259 TIP3 H2 A 0.417000 1.0079 - 778 SYS 260 TIP3 O1 C -0.834000 15.9994 - 779 SYS 260 TIP3 H1 A 0.417000 1.0079 - 780 SYS 260 TIP3 H2 A 0.417000 1.0079 - 781 SYS 261 TIP3 O1 C -0.834000 15.9994 - 782 SYS 261 TIP3 H1 A 0.417000 1.0079 - 783 SYS 261 TIP3 H2 A 0.417000 1.0079 - 784 SYS 262 TIP3 O1 C -0.834000 15.9994 - 785 SYS 262 TIP3 H1 A 0.417000 1.0079 - 786 SYS 262 TIP3 H2 A 0.417000 1.0079 - 787 SYS 263 TIP3 O1 C -0.834000 15.9994 - 788 SYS 263 TIP3 H1 A 0.417000 1.0079 - 789 SYS 263 TIP3 H2 A 0.417000 1.0079 - 790 SYS 264 TIP3 O1 C -0.834000 15.9994 - 791 SYS 264 TIP3 H1 A 0.417000 1.0079 - 792 SYS 264 TIP3 H2 A 0.417000 1.0079 - 793 SYS 265 TIP3 O1 C -0.834000 15.9994 - 794 SYS 265 TIP3 H1 A 0.417000 1.0079 - 795 SYS 265 TIP3 H2 A 0.417000 1.0079 - 796 SYS 266 TIP3 O1 C -0.834000 15.9994 - 797 SYS 266 TIP3 H1 A 0.417000 1.0079 - 798 SYS 266 TIP3 H2 A 0.417000 1.0079 - 799 SYS 267 TIP3 O1 C -0.834000 15.9994 - 800 SYS 267 TIP3 H1 A 0.417000 1.0079 - 801 SYS 267 TIP3 H2 A 0.417000 1.0079 - 802 SYS 268 TIP3 O1 C -0.834000 15.9994 - 803 SYS 268 TIP3 H1 A 0.417000 1.0079 - 804 SYS 268 TIP3 H2 A 0.417000 1.0079 - 805 SYS 269 TIP3 O1 C -0.834000 15.9994 - 806 SYS 269 TIP3 H1 A 0.417000 1.0079 - 807 SYS 269 TIP3 H2 A 0.417000 1.0079 - 808 SYS 270 TIP3 O1 C -0.834000 15.9994 - 809 SYS 270 TIP3 H1 A 0.417000 1.0079 - 810 SYS 270 TIP3 H2 A 0.417000 1.0079 - 811 SYS 271 TIP3 O1 C -0.834000 15.9994 - 812 SYS 271 TIP3 H1 A 0.417000 1.0079 - 813 SYS 271 TIP3 H2 A 0.417000 1.0079 - 814 SYS 272 TIP3 O1 C -0.834000 15.9994 - 815 SYS 272 TIP3 H1 A 0.417000 1.0079 - 816 SYS 272 TIP3 H2 A 0.417000 1.0079 - 817 SYS 273 TIP3 O1 C -0.834000 15.9994 - 818 SYS 273 TIP3 H1 A 0.417000 1.0079 - 819 SYS 273 TIP3 H2 A 0.417000 1.0079 - 820 SYS 274 TIP3 O1 C -0.834000 15.9994 - 821 SYS 274 TIP3 H1 A 0.417000 1.0079 - 822 SYS 274 TIP3 H2 A 0.417000 1.0079 - 823 SYS 275 TIP3 O1 C -0.834000 15.9994 - 824 SYS 275 TIP3 H1 A 0.417000 1.0079 - 825 SYS 275 TIP3 H2 A 0.417000 1.0079 - 826 SYS 276 TIP3 O1 C -0.834000 15.9994 - 827 SYS 276 TIP3 H1 A 0.417000 1.0079 - 828 SYS 276 TIP3 H2 A 0.417000 1.0079 - 829 SYS 277 TIP3 O1 C -0.834000 15.9994 - 830 SYS 277 TIP3 H1 A 0.417000 1.0079 - 831 SYS 277 TIP3 H2 A 0.417000 1.0079 - 832 SYS 278 TIP3 O1 C -0.834000 15.9994 - 833 SYS 278 TIP3 H1 A 0.417000 1.0079 - 834 SYS 278 TIP3 H2 A 0.417000 1.0079 - 835 SYS 279 TIP3 O1 C -0.834000 15.9994 - 836 SYS 279 TIP3 H1 A 0.417000 1.0079 - 837 SYS 279 TIP3 H2 A 0.417000 1.0079 - 838 SYS 280 TIP3 O1 C -0.834000 15.9994 - 839 SYS 280 TIP3 H1 A 0.417000 1.0079 - 840 SYS 280 TIP3 H2 A 0.417000 1.0079 - 841 SYS 281 TIP3 O1 C -0.834000 15.9994 - 842 SYS 281 TIP3 H1 A 0.417000 1.0079 - 843 SYS 281 TIP3 H2 A 0.417000 1.0079 - 844 SYS 282 TIP3 O1 C -0.834000 15.9994 - 845 SYS 282 TIP3 H1 A 0.417000 1.0079 - 846 SYS 282 TIP3 H2 A 0.417000 1.0079 - 847 SYS 283 TIP3 O1 C -0.834000 15.9994 - 848 SYS 283 TIP3 H1 A 0.417000 1.0079 - 849 SYS 283 TIP3 H2 A 0.417000 1.0079 - 850 SYS 284 TIP3 O1 C -0.834000 15.9994 - 851 SYS 284 TIP3 H1 A 0.417000 1.0079 - 852 SYS 284 TIP3 H2 A 0.417000 1.0079 - 853 SYS 285 TIP3 O1 C -0.834000 15.9994 - 854 SYS 285 TIP3 H1 A 0.417000 1.0079 - 855 SYS 285 TIP3 H2 A 0.417000 1.0079 - 856 SYS 286 TIP3 O1 C -0.834000 15.9994 - 857 SYS 286 TIP3 H1 A 0.417000 1.0079 - 858 SYS 286 TIP3 H2 A 0.417000 1.0079 - 859 SYS 287 TIP3 O1 C -0.834000 15.9994 - 860 SYS 287 TIP3 H1 A 0.417000 1.0079 - 861 SYS 287 TIP3 H2 A 0.417000 1.0079 - 862 SYS 288 TIP3 O1 C -0.834000 15.9994 - 863 SYS 288 TIP3 H1 A 0.417000 1.0079 - 864 SYS 288 TIP3 H2 A 0.417000 1.0079 - 865 SYS 289 TIP3 O1 C -0.834000 15.9994 - 866 SYS 289 TIP3 H1 A 0.417000 1.0079 - 867 SYS 289 TIP3 H2 A 0.417000 1.0079 - 868 SYS 290 TIP3 O1 C -0.834000 15.9994 - 869 SYS 290 TIP3 H1 A 0.417000 1.0079 - 870 SYS 290 TIP3 H2 A 0.417000 1.0079 - 871 SYS 291 TIP3 O1 C -0.834000 15.9994 - 872 SYS 291 TIP3 H1 A 0.417000 1.0079 - 873 SYS 291 TIP3 H2 A 0.417000 1.0079 - 874 SYS 292 TIP3 O1 C -0.834000 15.9994 - 875 SYS 292 TIP3 H1 A 0.417000 1.0079 - 876 SYS 292 TIP3 H2 A 0.417000 1.0079 - 877 SYS 293 TIP3 O1 C -0.834000 15.9994 - 878 SYS 293 TIP3 H1 A 0.417000 1.0079 - 879 SYS 293 TIP3 H2 A 0.417000 1.0079 - 880 SYS 294 TIP3 O1 C -0.834000 15.9994 - 881 SYS 294 TIP3 H1 A 0.417000 1.0079 - 882 SYS 294 TIP3 H2 A 0.417000 1.0079 - 883 SYS 295 TIP3 O1 C -0.834000 15.9994 - 884 SYS 295 TIP3 H1 A 0.417000 1.0079 - 885 SYS 295 TIP3 H2 A 0.417000 1.0079 - 886 SYS 296 TIP3 O1 C -0.834000 15.9994 - 887 SYS 296 TIP3 H1 A 0.417000 1.0079 - 888 SYS 296 TIP3 H2 A 0.417000 1.0079 - 889 SYS 297 TIP3 O1 C -0.834000 15.9994 - 890 SYS 297 TIP3 H1 A 0.417000 1.0079 - 891 SYS 297 TIP3 H2 A 0.417000 1.0079 - 892 SYS 298 TIP3 O1 C -0.834000 15.9994 - 893 SYS 298 TIP3 H1 A 0.417000 1.0079 - 894 SYS 298 TIP3 H2 A 0.417000 1.0079 - 895 SYS 299 TIP3 O1 C -0.834000 15.9994 - 896 SYS 299 TIP3 H1 A 0.417000 1.0079 - 897 SYS 299 TIP3 H2 A 0.417000 1.0079 - 898 SYS 300 TIP3 O1 C -0.834000 15.9994 - 899 SYS 300 TIP3 H1 A 0.417000 1.0079 - 900 SYS 300 TIP3 H2 A 0.417000 1.0079 - 901 SYS 301 TIP3 O1 C -0.834000 15.9994 - 902 SYS 301 TIP3 H1 A 0.417000 1.0079 - 903 SYS 301 TIP3 H2 A 0.417000 1.0079 - 904 SYS 302 TIP3 O1 C -0.834000 15.9994 - 905 SYS 302 TIP3 H1 A 0.417000 1.0079 - 906 SYS 302 TIP3 H2 A 0.417000 1.0079 - 907 SYS 303 TIP3 O1 C -0.834000 15.9994 - 908 SYS 303 TIP3 H1 A 0.417000 1.0079 - 909 SYS 303 TIP3 H2 A 0.417000 1.0079 - 910 SYS 304 TIP3 O1 C -0.834000 15.9994 - 911 SYS 304 TIP3 H1 A 0.417000 1.0079 - 912 SYS 304 TIP3 H2 A 0.417000 1.0079 - 913 SYS 305 TIP3 O1 C -0.834000 15.9994 - 914 SYS 305 TIP3 H1 A 0.417000 1.0079 - 915 SYS 305 TIP3 H2 A 0.417000 1.0079 - 916 SYS 306 TIP3 O1 C -0.834000 15.9994 - 917 SYS 306 TIP3 H1 A 0.417000 1.0079 - 918 SYS 306 TIP3 H2 A 0.417000 1.0079 - 919 SYS 307 TIP3 O1 C -0.834000 15.9994 - 920 SYS 307 TIP3 H1 A 0.417000 1.0079 - 921 SYS 307 TIP3 H2 A 0.417000 1.0079 - 922 SYS 308 TIP3 O1 C -0.834000 15.9994 - 923 SYS 308 TIP3 H1 A 0.417000 1.0079 - 924 SYS 308 TIP3 H2 A 0.417000 1.0079 - 925 SYS 309 TIP3 O1 C -0.834000 15.9994 - 926 SYS 309 TIP3 H1 A 0.417000 1.0079 - 927 SYS 309 TIP3 H2 A 0.417000 1.0079 - 928 SYS 310 TIP3 O1 C -0.834000 15.9994 - 929 SYS 310 TIP3 H1 A 0.417000 1.0079 - 930 SYS 310 TIP3 H2 A 0.417000 1.0079 - 931 SYS 311 TIP3 O1 C -0.834000 15.9994 - 932 SYS 311 TIP3 H1 A 0.417000 1.0079 - 933 SYS 311 TIP3 H2 A 0.417000 1.0079 - 934 SYS 312 TIP3 O1 C -0.834000 15.9994 - 935 SYS 312 TIP3 H1 A 0.417000 1.0079 - 936 SYS 312 TIP3 H2 A 0.417000 1.0079 - 937 SYS 313 TIP3 O1 C -0.834000 15.9994 - 938 SYS 313 TIP3 H1 A 0.417000 1.0079 - 939 SYS 313 TIP3 H2 A 0.417000 1.0079 - 940 SYS 314 TIP3 O1 C -0.834000 15.9994 - 941 SYS 314 TIP3 H1 A 0.417000 1.0079 - 942 SYS 314 TIP3 H2 A 0.417000 1.0079 - 943 SYS 315 TIP3 O1 C -0.834000 15.9994 - 944 SYS 315 TIP3 H1 A 0.417000 1.0079 - 945 SYS 315 TIP3 H2 A 0.417000 1.0079 - 946 SYS 316 TIP3 O1 C -0.834000 15.9994 - 947 SYS 316 TIP3 H1 A 0.417000 1.0079 - 948 SYS 316 TIP3 H2 A 0.417000 1.0079 - 949 SYS 317 TIP3 O1 C -0.834000 15.9994 - 950 SYS 317 TIP3 H1 A 0.417000 1.0079 - 951 SYS 317 TIP3 H2 A 0.417000 1.0079 - 952 SYS 318 TIP3 O1 C -0.834000 15.9994 - 953 SYS 318 TIP3 H1 A 0.417000 1.0079 - 954 SYS 318 TIP3 H2 A 0.417000 1.0079 - 955 SYS 319 TIP3 O1 C -0.834000 15.9994 - 956 SYS 319 TIP3 H1 A 0.417000 1.0079 - 957 SYS 319 TIP3 H2 A 0.417000 1.0079 - 958 SYS 320 TIP3 O1 C -0.834000 15.9994 - 959 SYS 320 TIP3 H1 A 0.417000 1.0079 - 960 SYS 320 TIP3 H2 A 0.417000 1.0079 - 961 SYS 321 TIP3 O1 C -0.834000 15.9994 - 962 SYS 321 TIP3 H1 A 0.417000 1.0079 - 963 SYS 321 TIP3 H2 A 0.417000 1.0079 - 964 SYS 322 TIP3 O1 C -0.834000 15.9994 - 965 SYS 322 TIP3 H1 A 0.417000 1.0079 - 966 SYS 322 TIP3 H2 A 0.417000 1.0079 - 967 SYS 323 TIP3 O1 C -0.834000 15.9994 - 968 SYS 323 TIP3 H1 A 0.417000 1.0079 - 969 SYS 323 TIP3 H2 A 0.417000 1.0079 - 970 SYS 324 TIP3 O1 C -0.834000 15.9994 - 971 SYS 324 TIP3 H1 A 0.417000 1.0079 - 972 SYS 324 TIP3 H2 A 0.417000 1.0079 - 973 SYS 325 TIP3 O1 C -0.834000 15.9994 - 974 SYS 325 TIP3 H1 A 0.417000 1.0079 - 975 SYS 325 TIP3 H2 A 0.417000 1.0079 - 976 SYS 326 TIP3 O1 C -0.834000 15.9994 - 977 SYS 326 TIP3 H1 A 0.417000 1.0079 - 978 SYS 326 TIP3 H2 A 0.417000 1.0079 - 979 SYS 327 TIP3 O1 C -0.834000 15.9994 - 980 SYS 327 TIP3 H1 A 0.417000 1.0079 - 981 SYS 327 TIP3 H2 A 0.417000 1.0079 - 982 SYS 328 TIP3 O1 C -0.834000 15.9994 - 983 SYS 328 TIP3 H1 A 0.417000 1.0079 - 984 SYS 328 TIP3 H2 A 0.417000 1.0079 - 985 SYS 329 TIP3 O1 C -0.834000 15.9994 - 986 SYS 329 TIP3 H1 A 0.417000 1.0079 - 987 SYS 329 TIP3 H2 A 0.417000 1.0079 - 988 SYS 330 TIP3 O1 C -0.834000 15.9994 - 989 SYS 330 TIP3 H1 A 0.417000 1.0079 - 990 SYS 330 TIP3 H2 A 0.417000 1.0079 - 991 SYS 331 TIP3 O1 C -0.834000 15.9994 - 992 SYS 331 TIP3 H1 A 0.417000 1.0079 - 993 SYS 331 TIP3 H2 A 0.417000 1.0079 - 994 SYS 332 TIP3 O1 C -0.834000 15.9994 - 995 SYS 332 TIP3 H1 A 0.417000 1.0079 - 996 SYS 332 TIP3 H2 A 0.417000 1.0079 - 997 SYS 333 TIP3 O1 C -0.834000 15.9994 - 998 SYS 333 TIP3 H1 A 0.417000 1.0079 - 999 SYS 333 TIP3 H2 A 0.417000 1.0079 - 1000 SYS 334 TIP3 O1 C -0.834000 15.9994 - 1001 SYS 334 TIP3 H1 A 0.417000 1.0079 - 1002 SYS 334 TIP3 H2 A 0.417000 1.0079 - 1003 SYS 335 TIP3 O1 C -0.834000 15.9994 - 1004 SYS 335 TIP3 H1 A 0.417000 1.0079 - 1005 SYS 335 TIP3 H2 A 0.417000 1.0079 - 1006 SYS 336 TIP3 O1 C -0.834000 15.9994 - 1007 SYS 336 TIP3 H1 A 0.417000 1.0079 - 1008 SYS 336 TIP3 H2 A 0.417000 1.0079 - 1009 SYS 337 TIP3 O1 C -0.834000 15.9994 - 1010 SYS 337 TIP3 H1 A 0.417000 1.0079 - 1011 SYS 337 TIP3 H2 A 0.417000 1.0079 - 1012 SYS 338 TIP3 O1 C -0.834000 15.9994 - 1013 SYS 338 TIP3 H1 A 0.417000 1.0079 - 1014 SYS 338 TIP3 H2 A 0.417000 1.0079 - 1015 SYS 339 TIP3 O1 C -0.834000 15.9994 - 1016 SYS 339 TIP3 H1 A 0.417000 1.0079 - 1017 SYS 339 TIP3 H2 A 0.417000 1.0079 - 1018 SYS 340 TIP3 O1 C -0.834000 15.9994 - 1019 SYS 340 TIP3 H1 A 0.417000 1.0079 - 1020 SYS 340 TIP3 H2 A 0.417000 1.0079 - 1021 SYS 341 TIP3 O1 C -0.834000 15.9994 - 1022 SYS 341 TIP3 H1 A 0.417000 1.0079 - 1023 SYS 341 TIP3 H2 A 0.417000 1.0079 - 1024 SYS 342 TIP3 O1 C -0.834000 15.9994 - 1025 SYS 342 TIP3 H1 A 0.417000 1.0079 - 1026 SYS 342 TIP3 H2 A 0.417000 1.0079 - 1027 SYS 343 TIP3 O1 C -0.834000 15.9994 - 1028 SYS 343 TIP3 H1 A 0.417000 1.0079 - 1029 SYS 343 TIP3 H2 A 0.417000 1.0079 - 1030 SYS 344 TIP3 O1 C -0.834000 15.9994 - 1031 SYS 344 TIP3 H1 A 0.417000 1.0079 - 1032 SYS 344 TIP3 H2 A 0.417000 1.0079 - 1033 SYS 345 TIP3 O1 C -0.834000 15.9994 - 1034 SYS 345 TIP3 H1 A 0.417000 1.0079 - 1035 SYS 345 TIP3 H2 A 0.417000 1.0079 - 1036 SYS 346 TIP3 O1 C -0.834000 15.9994 - 1037 SYS 346 TIP3 H1 A 0.417000 1.0079 - 1038 SYS 346 TIP3 H2 A 0.417000 1.0079 - 1039 SYS 347 TIP3 O1 C -0.834000 15.9994 - 1040 SYS 347 TIP3 H1 A 0.417000 1.0079 - 1041 SYS 347 TIP3 H2 A 0.417000 1.0079 - 1042 SYS 348 TIP3 O1 C -0.834000 15.9994 - 1043 SYS 348 TIP3 H1 A 0.417000 1.0079 - 1044 SYS 348 TIP3 H2 A 0.417000 1.0079 - 1045 SYS 349 TIP3 O1 C -0.834000 15.9994 - 1046 SYS 349 TIP3 H1 A 0.417000 1.0079 - 1047 SYS 349 TIP3 H2 A 0.417000 1.0079 - 1048 SYS 350 TIP3 O1 C -0.834000 15.9994 - 1049 SYS 350 TIP3 H1 A 0.417000 1.0079 - 1050 SYS 350 TIP3 H2 A 0.417000 1.0079 - 1051 SYS 351 TIP3 O1 C -0.834000 15.9994 - 1052 SYS 351 TIP3 H1 A 0.417000 1.0079 - 1053 SYS 351 TIP3 H2 A 0.417000 1.0079 - 1054 SYS 352 TIP3 O1 C -0.834000 15.9994 - 1055 SYS 352 TIP3 H1 A 0.417000 1.0079 - 1056 SYS 352 TIP3 H2 A 0.417000 1.0079 - 1057 SYS 353 TIP3 O1 C -0.834000 15.9994 - 1058 SYS 353 TIP3 H1 A 0.417000 1.0079 - 1059 SYS 353 TIP3 H2 A 0.417000 1.0079 - 1060 SYS 354 TIP3 O1 C -0.834000 15.9994 - 1061 SYS 354 TIP3 H1 A 0.417000 1.0079 - 1062 SYS 354 TIP3 H2 A 0.417000 1.0079 - 1063 SYS 355 TIP3 O1 C -0.834000 15.9994 - 1064 SYS 355 TIP3 H1 A 0.417000 1.0079 - 1065 SYS 355 TIP3 H2 A 0.417000 1.0079 - 1066 SYS 356 TIP3 O1 C -0.834000 15.9994 - 1067 SYS 356 TIP3 H1 A 0.417000 1.0079 - 1068 SYS 356 TIP3 H2 A 0.417000 1.0079 - 1069 SYS 357 TIP3 O1 C -0.834000 15.9994 - 1070 SYS 357 TIP3 H1 A 0.417000 1.0079 - 1071 SYS 357 TIP3 H2 A 0.417000 1.0079 - 1072 SYS 358 TIP3 O1 C -0.834000 15.9994 - 1073 SYS 358 TIP3 H1 A 0.417000 1.0079 - 1074 SYS 358 TIP3 H2 A 0.417000 1.0079 - 1075 SYS 359 TIP3 O1 C -0.834000 15.9994 - 1076 SYS 359 TIP3 H1 A 0.417000 1.0079 - 1077 SYS 359 TIP3 H2 A 0.417000 1.0079 - 1078 SYS 360 TIP3 O1 C -0.834000 15.9994 - 1079 SYS 360 TIP3 H1 A 0.417000 1.0079 - 1080 SYS 360 TIP3 H2 A 0.417000 1.0079 - 1081 SYS 361 TIP3 O1 C -0.834000 15.9994 - 1082 SYS 361 TIP3 H1 A 0.417000 1.0079 - 1083 SYS 361 TIP3 H2 A 0.417000 1.0079 - 1084 SYS 362 TIP3 O1 C -0.834000 15.9994 - 1085 SYS 362 TIP3 H1 A 0.417000 1.0079 - 1086 SYS 362 TIP3 H2 A 0.417000 1.0079 - 1087 SYS 363 TIP3 O1 C -0.834000 15.9994 - 1088 SYS 363 TIP3 H1 A 0.417000 1.0079 - 1089 SYS 363 TIP3 H2 A 0.417000 1.0079 - 1090 SYS 364 TIP3 O1 C -0.834000 15.9994 - 1091 SYS 364 TIP3 H1 A 0.417000 1.0079 - 1092 SYS 364 TIP3 H2 A 0.417000 1.0079 - 1093 SYS 365 TIP3 O1 C -0.834000 15.9994 - 1094 SYS 365 TIP3 H1 A 0.417000 1.0079 - 1095 SYS 365 TIP3 H2 A 0.417000 1.0079 - 1096 SYS 366 TIP3 O1 C -0.834000 15.9994 - 1097 SYS 366 TIP3 H1 A 0.417000 1.0079 - 1098 SYS 366 TIP3 H2 A 0.417000 1.0079 - 1099 SYS 367 TIP3 O1 C -0.834000 15.9994 - 1100 SYS 367 TIP3 H1 A 0.417000 1.0079 - 1101 SYS 367 TIP3 H2 A 0.417000 1.0079 - 1102 SYS 368 TIP3 O1 C -0.834000 15.9994 - 1103 SYS 368 TIP3 H1 A 0.417000 1.0079 - 1104 SYS 368 TIP3 H2 A 0.417000 1.0079 - 1105 SYS 369 TIP3 O1 C -0.834000 15.9994 - 1106 SYS 369 TIP3 H1 A 0.417000 1.0079 - 1107 SYS 369 TIP3 H2 A 0.417000 1.0079 - 1108 SYS 370 TIP3 O1 C -0.834000 15.9994 - 1109 SYS 370 TIP3 H1 A 0.417000 1.0079 - 1110 SYS 370 TIP3 H2 A 0.417000 1.0079 - 1111 SYS 371 TIP3 O1 C -0.834000 15.9994 - 1112 SYS 371 TIP3 H1 A 0.417000 1.0079 - 1113 SYS 371 TIP3 H2 A 0.417000 1.0079 - 1114 SYS 372 TIP3 O1 C -0.834000 15.9994 - 1115 SYS 372 TIP3 H1 A 0.417000 1.0079 - 1116 SYS 372 TIP3 H2 A 0.417000 1.0079 - 1117 SYS 373 TIP3 O1 C -0.834000 15.9994 - 1118 SYS 373 TIP3 H1 A 0.417000 1.0079 - 1119 SYS 373 TIP3 H2 A 0.417000 1.0079 - 1120 SYS 374 TIP3 O1 C -0.834000 15.9994 - 1121 SYS 374 TIP3 H1 A 0.417000 1.0079 - 1122 SYS 374 TIP3 H2 A 0.417000 1.0079 - 1123 SYS 375 TIP3 O1 C -0.834000 15.9994 - 1124 SYS 375 TIP3 H1 A 0.417000 1.0079 - 1125 SYS 375 TIP3 H2 A 0.417000 1.0079 - 1126 SYS 376 TIP3 O1 C -0.834000 15.9994 - 1127 SYS 376 TIP3 H1 A 0.417000 1.0079 - 1128 SYS 376 TIP3 H2 A 0.417000 1.0079 - 1129 SYS 377 TIP3 O1 C -0.834000 15.9994 - 1130 SYS 377 TIP3 H1 A 0.417000 1.0079 - 1131 SYS 377 TIP3 H2 A 0.417000 1.0079 - 1132 SYS 378 TIP3 O1 C -0.834000 15.9994 - 1133 SYS 378 TIP3 H1 A 0.417000 1.0079 - 1134 SYS 378 TIP3 H2 A 0.417000 1.0079 - 1135 SYS 379 TIP3 O1 C -0.834000 15.9994 - 1136 SYS 379 TIP3 H1 A 0.417000 1.0079 - 1137 SYS 379 TIP3 H2 A 0.417000 1.0079 - 1138 SYS 380 TIP3 O1 C -0.834000 15.9994 - 1139 SYS 380 TIP3 H1 A 0.417000 1.0079 - 1140 SYS 380 TIP3 H2 A 0.417000 1.0079 - 1141 SYS 381 TIP3 O1 C -0.834000 15.9994 - 1142 SYS 381 TIP3 H1 A 0.417000 1.0079 - 1143 SYS 381 TIP3 H2 A 0.417000 1.0079 - 1144 SYS 382 TIP3 O1 C -0.834000 15.9994 - 1145 SYS 382 TIP3 H1 A 0.417000 1.0079 - 1146 SYS 382 TIP3 H2 A 0.417000 1.0079 - 1147 SYS 383 TIP3 O1 C -0.834000 15.9994 - 1148 SYS 383 TIP3 H1 A 0.417000 1.0079 - 1149 SYS 383 TIP3 H2 A 0.417000 1.0079 - 1150 SYS 384 TIP3 O1 C -0.834000 15.9994 - 1151 SYS 384 TIP3 H1 A 0.417000 1.0079 - 1152 SYS 384 TIP3 H2 A 0.417000 1.0079 - 1153 SYS 385 TIP3 O1 C -0.834000 15.9994 - 1154 SYS 385 TIP3 H1 A 0.417000 1.0079 - 1155 SYS 385 TIP3 H2 A 0.417000 1.0079 - 1156 SYS 386 TIP3 O1 C -0.834000 15.9994 - 1157 SYS 386 TIP3 H1 A 0.417000 1.0079 - 1158 SYS 386 TIP3 H2 A 0.417000 1.0079 - 1159 SYS 387 TIP3 O1 C -0.834000 15.9994 - 1160 SYS 387 TIP3 H1 A 0.417000 1.0079 - 1161 SYS 387 TIP3 H2 A 0.417000 1.0079 - 1162 SYS 388 TIP3 O1 C -0.834000 15.9994 - 1163 SYS 388 TIP3 H1 A 0.417000 1.0079 - 1164 SYS 388 TIP3 H2 A 0.417000 1.0079 - 1165 SYS 389 TIP3 O1 C -0.834000 15.9994 - 1166 SYS 389 TIP3 H1 A 0.417000 1.0079 - 1167 SYS 389 TIP3 H2 A 0.417000 1.0079 - 1168 SYS 390 TIP3 O1 C -0.834000 15.9994 - 1169 SYS 390 TIP3 H1 A 0.417000 1.0079 - 1170 SYS 390 TIP3 H2 A 0.417000 1.0079 - 1171 SYS 391 TIP3 O1 C -0.834000 15.9994 - 1172 SYS 391 TIP3 H1 A 0.417000 1.0079 - 1173 SYS 391 TIP3 H2 A 0.417000 1.0079 - 1174 SYS 392 TIP3 O1 C -0.834000 15.9994 - 1175 SYS 392 TIP3 H1 A 0.417000 1.0079 - 1176 SYS 392 TIP3 H2 A 0.417000 1.0079 - 1177 SYS 393 TIP3 O1 C -0.834000 15.9994 - 1178 SYS 393 TIP3 H1 A 0.417000 1.0079 - 1179 SYS 393 TIP3 H2 A 0.417000 1.0079 - 1180 SYS 394 TIP3 O1 C -0.834000 15.9994 - 1181 SYS 394 TIP3 H1 A 0.417000 1.0079 - 1182 SYS 394 TIP3 H2 A 0.417000 1.0079 - 1183 SYS 395 TIP3 O1 C -0.834000 15.9994 - 1184 SYS 395 TIP3 H1 A 0.417000 1.0079 - 1185 SYS 395 TIP3 H2 A 0.417000 1.0079 - 1186 SYS 396 TIP3 O1 C -0.834000 15.9994 - 1187 SYS 396 TIP3 H1 A 0.417000 1.0079 - 1188 SYS 396 TIP3 H2 A 0.417000 1.0079 - 1189 SYS 397 TIP3 O1 C -0.834000 15.9994 - 1190 SYS 397 TIP3 H1 A 0.417000 1.0079 - 1191 SYS 397 TIP3 H2 A 0.417000 1.0079 - 1192 SYS 398 TIP3 O1 C -0.834000 15.9994 - 1193 SYS 398 TIP3 H1 A 0.417000 1.0079 - 1194 SYS 398 TIP3 H2 A 0.417000 1.0079 - 1195 SYS 399 TIP3 O1 C -0.834000 15.9994 - 1196 SYS 399 TIP3 H1 A 0.417000 1.0079 - 1197 SYS 399 TIP3 H2 A 0.417000 1.0079 - 1198 SYS 400 TIP3 O1 C -0.834000 15.9994 - 1199 SYS 400 TIP3 H1 A 0.417000 1.0079 - 1200 SYS 400 TIP3 H2 A 0.417000 1.0079 - 1201 SYS 401 TIP3 O1 C -0.834000 15.9994 - 1202 SYS 401 TIP3 H1 A 0.417000 1.0079 - 1203 SYS 401 TIP3 H2 A 0.417000 1.0079 - 1204 SYS 402 TIP3 O1 C -0.834000 15.9994 - 1205 SYS 402 TIP3 H1 A 0.417000 1.0079 - 1206 SYS 402 TIP3 H2 A 0.417000 1.0079 - 1207 SYS 403 TIP3 O1 C -0.834000 15.9994 - 1208 SYS 403 TIP3 H1 A 0.417000 1.0079 - 1209 SYS 403 TIP3 H2 A 0.417000 1.0079 - 1210 SYS 404 TIP3 O1 C -0.834000 15.9994 - 1211 SYS 404 TIP3 H1 A 0.417000 1.0079 - 1212 SYS 404 TIP3 H2 A 0.417000 1.0079 - 1213 SYS 405 TIP3 O1 C -0.834000 15.9994 - 1214 SYS 405 TIP3 H1 A 0.417000 1.0079 - 1215 SYS 405 TIP3 H2 A 0.417000 1.0079 - 1216 SYS 406 TIP3 O1 C -0.834000 15.9994 - 1217 SYS 406 TIP3 H1 A 0.417000 1.0079 - 1218 SYS 406 TIP3 H2 A 0.417000 1.0079 - 1219 SYS 407 TIP3 O1 C -0.834000 15.9994 - 1220 SYS 407 TIP3 H1 A 0.417000 1.0079 - 1221 SYS 407 TIP3 H2 A 0.417000 1.0079 - 1222 SYS 408 TIP3 O1 C -0.834000 15.9994 - 1223 SYS 408 TIP3 H1 A 0.417000 1.0079 - 1224 SYS 408 TIP3 H2 A 0.417000 1.0079 - 1225 SYS 409 TIP3 O1 C -0.834000 15.9994 - 1226 SYS 409 TIP3 H1 A 0.417000 1.0079 - 1227 SYS 409 TIP3 H2 A 0.417000 1.0079 - 1228 SYS 410 TIP3 O1 C -0.834000 15.9994 - 1229 SYS 410 TIP3 H1 A 0.417000 1.0079 - 1230 SYS 410 TIP3 H2 A 0.417000 1.0079 - 1231 SYS 411 TIP3 O1 C -0.834000 15.9994 - 1232 SYS 411 TIP3 H1 A 0.417000 1.0079 - 1233 SYS 411 TIP3 H2 A 0.417000 1.0079 - 1234 SYS 412 TIP3 O1 C -0.834000 15.9994 - 1235 SYS 412 TIP3 H1 A 0.417000 1.0079 - 1236 SYS 412 TIP3 H2 A 0.417000 1.0079 - 1237 SYS 413 TIP3 O1 C -0.834000 15.9994 - 1238 SYS 413 TIP3 H1 A 0.417000 1.0079 - 1239 SYS 413 TIP3 H2 A 0.417000 1.0079 - 1240 SYS 414 TIP3 O1 C -0.834000 15.9994 - 1241 SYS 414 TIP3 H1 A 0.417000 1.0079 - 1242 SYS 414 TIP3 H2 A 0.417000 1.0079 - 1243 SYS 415 TIP3 O1 C -0.834000 15.9994 - 1244 SYS 415 TIP3 H1 A 0.417000 1.0079 - 1245 SYS 415 TIP3 H2 A 0.417000 1.0079 - 1246 SYS 416 TIP3 O1 C -0.834000 15.9994 - 1247 SYS 416 TIP3 H1 A 0.417000 1.0079 - 1248 SYS 416 TIP3 H2 A 0.417000 1.0079 - 1249 SYS 417 TIP3 O1 C -0.834000 15.9994 - 1250 SYS 417 TIP3 H1 A 0.417000 1.0079 - 1251 SYS 417 TIP3 H2 A 0.417000 1.0079 - 1252 SYS 418 TIP3 O1 C -0.834000 15.9994 - 1253 SYS 418 TIP3 H1 A 0.417000 1.0079 - 1254 SYS 418 TIP3 H2 A 0.417000 1.0079 - 1255 SYS 419 TIP3 O1 C -0.834000 15.9994 - 1256 SYS 419 TIP3 H1 A 0.417000 1.0079 - 1257 SYS 419 TIP3 H2 A 0.417000 1.0079 - 1258 SYS 420 TIP3 O1 C -0.834000 15.9994 - 1259 SYS 420 TIP3 H1 A 0.417000 1.0079 - 1260 SYS 420 TIP3 H2 A 0.417000 1.0079 - 1261 SYS 421 TIP3 O1 C -0.834000 15.9994 - 1262 SYS 421 TIP3 H1 A 0.417000 1.0079 - 1263 SYS 421 TIP3 H2 A 0.417000 1.0079 - 1264 SYS 422 TIP3 O1 C -0.834000 15.9994 - 1265 SYS 422 TIP3 H1 A 0.417000 1.0079 - 1266 SYS 422 TIP3 H2 A 0.417000 1.0079 - 1267 SYS 423 TIP3 O1 C -0.834000 15.9994 - 1268 SYS 423 TIP3 H1 A 0.417000 1.0079 - 1269 SYS 423 TIP3 H2 A 0.417000 1.0079 - 1270 SYS 424 TIP3 O1 C -0.834000 15.9994 - 1271 SYS 424 TIP3 H1 A 0.417000 1.0079 - 1272 SYS 424 TIP3 H2 A 0.417000 1.0079 - 1273 SYS 425 TIP3 O1 C -0.834000 15.9994 - 1274 SYS 425 TIP3 H1 A 0.417000 1.0079 - 1275 SYS 425 TIP3 H2 A 0.417000 1.0079 - 1276 SYS 426 TIP3 O1 C -0.834000 15.9994 - 1277 SYS 426 TIP3 H1 A 0.417000 1.0079 - 1278 SYS 426 TIP3 H2 A 0.417000 1.0079 - 1279 SYS 427 TIP3 O1 C -0.834000 15.9994 - 1280 SYS 427 TIP3 H1 A 0.417000 1.0079 - 1281 SYS 427 TIP3 H2 A 0.417000 1.0079 - 1282 SYS 428 TIP3 O1 C -0.834000 15.9994 - 1283 SYS 428 TIP3 H1 A 0.417000 1.0079 - 1284 SYS 428 TIP3 H2 A 0.417000 1.0079 - 1285 SYS 429 TIP3 O1 C -0.834000 15.9994 - 1286 SYS 429 TIP3 H1 A 0.417000 1.0079 - 1287 SYS 429 TIP3 H2 A 0.417000 1.0079 - 1288 SYS 430 TIP3 O1 C -0.834000 15.9994 - 1289 SYS 430 TIP3 H1 A 0.417000 1.0079 - 1290 SYS 430 TIP3 H2 A 0.417000 1.0079 - 1291 SYS 431 TIP3 O1 C -0.834000 15.9994 - 1292 SYS 431 TIP3 H1 A 0.417000 1.0079 - 1293 SYS 431 TIP3 H2 A 0.417000 1.0079 - 1294 SYS 432 TIP3 O1 C -0.834000 15.9994 - 1295 SYS 432 TIP3 H1 A 0.417000 1.0079 - 1296 SYS 432 TIP3 H2 A 0.417000 1.0079 - 1297 SYS 433 TIP3 O1 C -0.834000 15.9994 - 1298 SYS 433 TIP3 H1 A 0.417000 1.0079 - 1299 SYS 433 TIP3 H2 A 0.417000 1.0079 - 1300 SYS 434 TIP3 O1 C -0.834000 15.9994 - 1301 SYS 434 TIP3 H1 A 0.417000 1.0079 - 1302 SYS 434 TIP3 H2 A 0.417000 1.0079 - 1303 SYS 435 TIP3 O1 C -0.834000 15.9994 - 1304 SYS 435 TIP3 H1 A 0.417000 1.0079 - 1305 SYS 435 TIP3 H2 A 0.417000 1.0079 - 1306 SYS 436 TIP3 O1 C -0.834000 15.9994 - 1307 SYS 436 TIP3 H1 A 0.417000 1.0079 - 1308 SYS 436 TIP3 H2 A 0.417000 1.0079 - 1309 SYS 437 TIP3 O1 C -0.834000 15.9994 - 1310 SYS 437 TIP3 H1 A 0.417000 1.0079 - 1311 SYS 437 TIP3 H2 A 0.417000 1.0079 - 1312 SYS 438 TIP3 O1 C -0.834000 15.9994 - 1313 SYS 438 TIP3 H1 A 0.417000 1.0079 - 1314 SYS 438 TIP3 H2 A 0.417000 1.0079 - 1315 SYS 439 TIP3 O1 C -0.834000 15.9994 - 1316 SYS 439 TIP3 H1 A 0.417000 1.0079 - 1317 SYS 439 TIP3 H2 A 0.417000 1.0079 - 1318 SYS 440 TIP3 O1 C -0.834000 15.9994 - 1319 SYS 440 TIP3 H1 A 0.417000 1.0079 - 1320 SYS 440 TIP3 H2 A 0.417000 1.0079 - 1321 SYS 441 TIP3 O1 C -0.834000 15.9994 - 1322 SYS 441 TIP3 H1 A 0.417000 1.0079 - 1323 SYS 441 TIP3 H2 A 0.417000 1.0079 - 1324 SYS 442 TIP3 O1 C -0.834000 15.9994 - 1325 SYS 442 TIP3 H1 A 0.417000 1.0079 - 1326 SYS 442 TIP3 H2 A 0.417000 1.0079 - 1327 SYS 443 TIP3 O1 C -0.834000 15.9994 - 1328 SYS 443 TIP3 H1 A 0.417000 1.0079 - 1329 SYS 443 TIP3 H2 A 0.417000 1.0079 - 1330 SYS 444 TIP3 O1 C -0.834000 15.9994 - 1331 SYS 444 TIP3 H1 A 0.417000 1.0079 - 1332 SYS 444 TIP3 H2 A 0.417000 1.0079 - 1333 SYS 445 TIP3 O1 C -0.834000 15.9994 - 1334 SYS 445 TIP3 H1 A 0.417000 1.0079 - 1335 SYS 445 TIP3 H2 A 0.417000 1.0079 - 1336 SYS 446 TIP3 O1 C -0.834000 15.9994 - 1337 SYS 446 TIP3 H1 A 0.417000 1.0079 - 1338 SYS 446 TIP3 H2 A 0.417000 1.0079 - 1339 SYS 447 TIP3 O1 C -0.834000 15.9994 - 1340 SYS 447 TIP3 H1 A 0.417000 1.0079 - 1341 SYS 447 TIP3 H2 A 0.417000 1.0079 - 1342 SYS 448 TIP3 O1 C -0.834000 15.9994 - 1343 SYS 448 TIP3 H1 A 0.417000 1.0079 - 1344 SYS 448 TIP3 H2 A 0.417000 1.0079 - 1345 SYS 449 TIP3 O1 C -0.834000 15.9994 - 1346 SYS 449 TIP3 H1 A 0.417000 1.0079 - 1347 SYS 449 TIP3 H2 A 0.417000 1.0079 - 1348 SYS 450 TIP3 O1 C -0.834000 15.9994 - 1349 SYS 450 TIP3 H1 A 0.417000 1.0079 - 1350 SYS 450 TIP3 H2 A 0.417000 1.0079 - 1351 SYS 451 TIP3 O1 C -0.834000 15.9994 - 1352 SYS 451 TIP3 H1 A 0.417000 1.0079 - 1353 SYS 451 TIP3 H2 A 0.417000 1.0079 - 1354 SYS 452 TIP3 O1 C -0.834000 15.9994 - 1355 SYS 452 TIP3 H1 A 0.417000 1.0079 - 1356 SYS 452 TIP3 H2 A 0.417000 1.0079 - 1357 SYS 453 TIP3 O1 C -0.834000 15.9994 - 1358 SYS 453 TIP3 H1 A 0.417000 1.0079 - 1359 SYS 453 TIP3 H2 A 0.417000 1.0079 - 1360 SYS 454 TIP3 O1 C -0.834000 15.9994 - 1361 SYS 454 TIP3 H1 A 0.417000 1.0079 - 1362 SYS 454 TIP3 H2 A 0.417000 1.0079 - 1363 SYS 455 TIP3 O1 C -0.834000 15.9994 - 1364 SYS 455 TIP3 H1 A 0.417000 1.0079 - 1365 SYS 455 TIP3 H2 A 0.417000 1.0079 - 1366 SYS 456 TIP3 O1 C -0.834000 15.9994 - 1367 SYS 456 TIP3 H1 A 0.417000 1.0079 - 1368 SYS 456 TIP3 H2 A 0.417000 1.0079 - 1369 SYS 457 TIP3 O1 C -0.834000 15.9994 - 1370 SYS 457 TIP3 H1 A 0.417000 1.0079 - 1371 SYS 457 TIP3 H2 A 0.417000 1.0079 - 1372 SYS 458 TIP3 O1 C -0.834000 15.9994 - 1373 SYS 458 TIP3 H1 A 0.417000 1.0079 - 1374 SYS 458 TIP3 H2 A 0.417000 1.0079 - 1375 SYS 459 TIP3 O1 C -0.834000 15.9994 - 1376 SYS 459 TIP3 H1 A 0.417000 1.0079 - 1377 SYS 459 TIP3 H2 A 0.417000 1.0079 - 1378 SYS 460 TIP3 O1 C -0.834000 15.9994 - 1379 SYS 460 TIP3 H1 A 0.417000 1.0079 - 1380 SYS 460 TIP3 H2 A 0.417000 1.0079 - 1381 SYS 461 TIP3 O1 C -0.834000 15.9994 - 1382 SYS 461 TIP3 H1 A 0.417000 1.0079 - 1383 SYS 461 TIP3 H2 A 0.417000 1.0079 - 1384 SYS 462 TIP3 O1 C -0.834000 15.9994 - 1385 SYS 462 TIP3 H1 A 0.417000 1.0079 - 1386 SYS 462 TIP3 H2 A 0.417000 1.0079 - 1387 SYS 463 TIP3 O1 C -0.834000 15.9994 - 1388 SYS 463 TIP3 H1 A 0.417000 1.0079 - 1389 SYS 463 TIP3 H2 A 0.417000 1.0079 - 1390 SYS 464 TIP3 O1 C -0.834000 15.9994 - 1391 SYS 464 TIP3 H1 A 0.417000 1.0079 - 1392 SYS 464 TIP3 H2 A 0.417000 1.0079 - 1393 SYS 465 TIP3 O1 C -0.834000 15.9994 - 1394 SYS 465 TIP3 H1 A 0.417000 1.0079 - 1395 SYS 465 TIP3 H2 A 0.417000 1.0079 - 1396 SYS 466 TIP3 O1 C -0.834000 15.9994 - 1397 SYS 466 TIP3 H1 A 0.417000 1.0079 - 1398 SYS 466 TIP3 H2 A 0.417000 1.0079 - 1399 SYS 467 TIP3 O1 C -0.834000 15.9994 - 1400 SYS 467 TIP3 H1 A 0.417000 1.0079 - 1401 SYS 467 TIP3 H2 A 0.417000 1.0079 - 1402 SYS 468 TIP3 O1 C -0.834000 15.9994 - 1403 SYS 468 TIP3 H1 A 0.417000 1.0079 - 1404 SYS 468 TIP3 H2 A 0.417000 1.0079 - 1405 SYS 469 TIP3 O1 C -0.834000 15.9994 - 1406 SYS 469 TIP3 H1 A 0.417000 1.0079 - 1407 SYS 469 TIP3 H2 A 0.417000 1.0079 - 1408 SYS 470 TIP3 O1 C -0.834000 15.9994 - 1409 SYS 470 TIP3 H1 A 0.417000 1.0079 - 1410 SYS 470 TIP3 H2 A 0.417000 1.0079 - 1411 SYS 471 TIP3 O1 C -0.834000 15.9994 - 1412 SYS 471 TIP3 H1 A 0.417000 1.0079 - 1413 SYS 471 TIP3 H2 A 0.417000 1.0079 - 1414 SYS 472 TIP3 O1 C -0.834000 15.9994 - 1415 SYS 472 TIP3 H1 A 0.417000 1.0079 - 1416 SYS 472 TIP3 H2 A 0.417000 1.0079 - 1417 SYS 473 TIP3 O1 C -0.834000 15.9994 - 1418 SYS 473 TIP3 H1 A 0.417000 1.0079 - 1419 SYS 473 TIP3 H2 A 0.417000 1.0079 - 1420 SYS 474 TIP3 O1 C -0.834000 15.9994 - 1421 SYS 474 TIP3 H1 A 0.417000 1.0079 - 1422 SYS 474 TIP3 H2 A 0.417000 1.0079 - 1423 SYS 475 TIP3 O1 C -0.834000 15.9994 - 1424 SYS 475 TIP3 H1 A 0.417000 1.0079 - 1425 SYS 475 TIP3 H2 A 0.417000 1.0079 - 1426 SYS 476 TIP3 O1 C -0.834000 15.9994 - 1427 SYS 476 TIP3 H1 A 0.417000 1.0079 - 1428 SYS 476 TIP3 H2 A 0.417000 1.0079 - 1429 SYS 477 TIP3 O1 C -0.834000 15.9994 - 1430 SYS 477 TIP3 H1 A 0.417000 1.0079 - 1431 SYS 477 TIP3 H2 A 0.417000 1.0079 - 1432 SYS 478 TIP3 O1 C -0.834000 15.9994 - 1433 SYS 478 TIP3 H1 A 0.417000 1.0079 - 1434 SYS 478 TIP3 H2 A 0.417000 1.0079 - 1435 SYS 479 TIP3 O1 C -0.834000 15.9994 - 1436 SYS 479 TIP3 H1 A 0.417000 1.0079 - 1437 SYS 479 TIP3 H2 A 0.417000 1.0079 - 1438 SYS 480 TIP3 O1 C -0.834000 15.9994 - 1439 SYS 480 TIP3 H1 A 0.417000 1.0079 - 1440 SYS 480 TIP3 H2 A 0.417000 1.0079 - 1441 SYS 481 TIP3 O1 C -0.834000 15.9994 - 1442 SYS 481 TIP3 H1 A 0.417000 1.0079 - 1443 SYS 481 TIP3 H2 A 0.417000 1.0079 - 1444 SYS 482 TIP3 O1 C -0.834000 15.9994 - 1445 SYS 482 TIP3 H1 A 0.417000 1.0079 - 1446 SYS 482 TIP3 H2 A 0.417000 1.0079 - 1447 SYS 483 TIP3 O1 C -0.834000 15.9994 - 1448 SYS 483 TIP3 H1 A 0.417000 1.0079 - 1449 SYS 483 TIP3 H2 A 0.417000 1.0079 - 1450 SYS 484 TIP3 O1 C -0.834000 15.9994 - 1451 SYS 484 TIP3 H1 A 0.417000 1.0079 - 1452 SYS 484 TIP3 H2 A 0.417000 1.0079 - 1453 SYS 485 TIP3 O1 C -0.834000 15.9994 - 1454 SYS 485 TIP3 H1 A 0.417000 1.0079 - 1455 SYS 485 TIP3 H2 A 0.417000 1.0079 - 1456 SYS 486 TIP3 O1 C -0.834000 15.9994 - 1457 SYS 486 TIP3 H1 A 0.417000 1.0079 - 1458 SYS 486 TIP3 H2 A 0.417000 1.0079 - 1459 SYS 487 TIP3 O1 C -0.834000 15.9994 - 1460 SYS 487 TIP3 H1 A 0.417000 1.0079 - 1461 SYS 487 TIP3 H2 A 0.417000 1.0079 - 1462 SYS 488 TIP3 O1 C -0.834000 15.9994 - 1463 SYS 488 TIP3 H1 A 0.417000 1.0079 - 1464 SYS 488 TIP3 H2 A 0.417000 1.0079 - 1465 SYS 489 TIP3 O1 C -0.834000 15.9994 - 1466 SYS 489 TIP3 H1 A 0.417000 1.0079 - 1467 SYS 489 TIP3 H2 A 0.417000 1.0079 - 1468 SYS 490 TIP3 O1 C -0.834000 15.9994 - 1469 SYS 490 TIP3 H1 A 0.417000 1.0079 - 1470 SYS 490 TIP3 H2 A 0.417000 1.0079 - 1471 SYS 491 TIP3 O1 C -0.834000 15.9994 - 1472 SYS 491 TIP3 H1 A 0.417000 1.0079 - 1473 SYS 491 TIP3 H2 A 0.417000 1.0079 - 1474 SYS 492 TIP3 O1 C -0.834000 15.9994 - 1475 SYS 492 TIP3 H1 A 0.417000 1.0079 - 1476 SYS 492 TIP3 H2 A 0.417000 1.0079 - 1477 SYS 493 TIP3 O1 C -0.834000 15.9994 - 1478 SYS 493 TIP3 H1 A 0.417000 1.0079 - 1479 SYS 493 TIP3 H2 A 0.417000 1.0079 - 1480 SYS 494 TIP3 O1 C -0.834000 15.9994 - 1481 SYS 494 TIP3 H1 A 0.417000 1.0079 - 1482 SYS 494 TIP3 H2 A 0.417000 1.0079 - 1483 SYS 495 TIP3 O1 C -0.834000 15.9994 - 1484 SYS 495 TIP3 H1 A 0.417000 1.0079 - 1485 SYS 495 TIP3 H2 A 0.417000 1.0079 - 1486 SYS 496 TIP3 O1 C -0.834000 15.9994 - 1487 SYS 496 TIP3 H1 A 0.417000 1.0079 - 1488 SYS 496 TIP3 H2 A 0.417000 1.0079 - 1489 SYS 497 TIP3 O1 C -0.834000 15.9994 - 1490 SYS 497 TIP3 H1 A 0.417000 1.0079 - 1491 SYS 497 TIP3 H2 A 0.417000 1.0079 - 1492 SYS 498 TIP3 O1 C -0.834000 15.9994 - 1493 SYS 498 TIP3 H1 A 0.417000 1.0079 - 1494 SYS 498 TIP3 H2 A 0.417000 1.0079 - 1495 SYS 499 TIP3 O1 C -0.834000 15.9994 - 1496 SYS 499 TIP3 H1 A 0.417000 1.0079 - 1497 SYS 499 TIP3 H2 A 0.417000 1.0079 - 1498 SYS 500 TIP3 O1 C -0.834000 15.9994 - 1499 SYS 500 TIP3 H1 A 0.417000 1.0079 - 1500 SYS 500 TIP3 H2 A 0.417000 1.0079 - 1501 SYS 501 TIP3 O1 C -0.834000 15.9994 - 1502 SYS 501 TIP3 H1 A 0.417000 1.0079 - 1503 SYS 501 TIP3 H2 A 0.417000 1.0079 - 1504 SYS 502 TIP3 O1 C -0.834000 15.9994 - 1505 SYS 502 TIP3 H1 A 0.417000 1.0079 - 1506 SYS 502 TIP3 H2 A 0.417000 1.0079 - 1507 SYS 503 TIP3 O1 C -0.834000 15.9994 - 1508 SYS 503 TIP3 H1 A 0.417000 1.0079 - 1509 SYS 503 TIP3 H2 A 0.417000 1.0079 - 1510 SYS 504 TIP3 O1 C -0.834000 15.9994 - 1511 SYS 504 TIP3 H1 A 0.417000 1.0079 - 1512 SYS 504 TIP3 H2 A 0.417000 1.0079 - 1513 SYS 505 TIP3 O1 C -0.834000 15.9994 - 1514 SYS 505 TIP3 H1 A 0.417000 1.0079 - 1515 SYS 505 TIP3 H2 A 0.417000 1.0079 - 1516 SYS 506 TIP3 O1 C -0.834000 15.9994 - 1517 SYS 506 TIP3 H1 A 0.417000 1.0079 - 1518 SYS 506 TIP3 H2 A 0.417000 1.0079 - 1519 SYS 507 TIP3 O1 C -0.834000 15.9994 - 1520 SYS 507 TIP3 H1 A 0.417000 1.0079 - 1521 SYS 507 TIP3 H2 A 0.417000 1.0079 - 1522 SYS 508 TIP3 O1 C -0.834000 15.9994 - 1523 SYS 508 TIP3 H1 A 0.417000 1.0079 - 1524 SYS 508 TIP3 H2 A 0.417000 1.0079 - 1525 SYS 509 TIP3 O1 C -0.834000 15.9994 - 1526 SYS 509 TIP3 H1 A 0.417000 1.0079 - 1527 SYS 509 TIP3 H2 A 0.417000 1.0079 - 1528 SYS 510 TIP3 O1 C -0.834000 15.9994 - 1529 SYS 510 TIP3 H1 A 0.417000 1.0079 - 1530 SYS 510 TIP3 H2 A 0.417000 1.0079 - 1531 SYS 511 TIP3 O1 C -0.834000 15.9994 - 1532 SYS 511 TIP3 H1 A 0.417000 1.0079 - 1533 SYS 511 TIP3 H2 A 0.417000 1.0079 - 1534 SYS 512 TIP3 O1 C -0.834000 15.9994 - 1535 SYS 512 TIP3 H1 A 0.417000 1.0079 - 1536 SYS 512 TIP3 H2 A 0.417000 1.0079 - 1537 SYS 513 TIP3 O1 C -0.834000 15.9994 - 1538 SYS 513 TIP3 H1 A 0.417000 1.0079 - 1539 SYS 513 TIP3 H2 A 0.417000 1.0079 - 1540 SYS 514 TIP3 O1 C -0.834000 15.9994 - 1541 SYS 514 TIP3 H1 A 0.417000 1.0079 - 1542 SYS 514 TIP3 H2 A 0.417000 1.0079 - 1543 SYS 515 TIP3 O1 C -0.834000 15.9994 - 1544 SYS 515 TIP3 H1 A 0.417000 1.0079 - 1545 SYS 515 TIP3 H2 A 0.417000 1.0079 - 1546 SYS 516 TIP3 O1 C -0.834000 15.9994 - 1547 SYS 516 TIP3 H1 A 0.417000 1.0079 - 1548 SYS 516 TIP3 H2 A 0.417000 1.0079 - 1549 SYS 517 TIP3 O1 C -0.834000 15.9994 - 1550 SYS 517 TIP3 H1 A 0.417000 1.0079 - 1551 SYS 517 TIP3 H2 A 0.417000 1.0079 - 1552 SYS 518 TIP3 O1 C -0.834000 15.9994 - 1553 SYS 518 TIP3 H1 A 0.417000 1.0079 - 1554 SYS 518 TIP3 H2 A 0.417000 1.0079 - 1555 SYS 519 TIP3 O1 C -0.834000 15.9994 - 1556 SYS 519 TIP3 H1 A 0.417000 1.0079 - 1557 SYS 519 TIP3 H2 A 0.417000 1.0079 - 1558 SYS 520 TIP3 O1 C -0.834000 15.9994 - 1559 SYS 520 TIP3 H1 A 0.417000 1.0079 - 1560 SYS 520 TIP3 H2 A 0.417000 1.0079 - 1561 SYS 521 TIP3 O1 C -0.834000 15.9994 - 1562 SYS 521 TIP3 H1 A 0.417000 1.0079 - 1563 SYS 521 TIP3 H2 A 0.417000 1.0079 - 1564 SYS 522 TIP3 O1 C -0.834000 15.9994 - 1565 SYS 522 TIP3 H1 A 0.417000 1.0079 - 1566 SYS 522 TIP3 H2 A 0.417000 1.0079 - 1567 SYS 523 TIP3 O1 C -0.834000 15.9994 - 1568 SYS 523 TIP3 H1 A 0.417000 1.0079 - 1569 SYS 523 TIP3 H2 A 0.417000 1.0079 - 1570 SYS 524 TIP3 O1 C -0.834000 15.9994 - 1571 SYS 524 TIP3 H1 A 0.417000 1.0079 - 1572 SYS 524 TIP3 H2 A 0.417000 1.0079 - 1573 SYS 525 TIP3 O1 C -0.834000 15.9994 - 1574 SYS 525 TIP3 H1 A 0.417000 1.0079 - 1575 SYS 525 TIP3 H2 A 0.417000 1.0079 - 1576 SYS 526 TIP3 O1 C -0.834000 15.9994 - 1577 SYS 526 TIP3 H1 A 0.417000 1.0079 - 1578 SYS 526 TIP3 H2 A 0.417000 1.0079 - 1579 SYS 527 TIP3 O1 C -0.834000 15.9994 - 1580 SYS 527 TIP3 H1 A 0.417000 1.0079 - 1581 SYS 527 TIP3 H2 A 0.417000 1.0079 - 1582 SYS 528 TIP3 O1 C -0.834000 15.9994 - 1583 SYS 528 TIP3 H1 A 0.417000 1.0079 - 1584 SYS 528 TIP3 H2 A 0.417000 1.0079 - 1585 SYS 529 TIP3 O1 C -0.834000 15.9994 - 1586 SYS 529 TIP3 H1 A 0.417000 1.0079 - 1587 SYS 529 TIP3 H2 A 0.417000 1.0079 - 1588 SYS 530 TIP3 O1 C -0.834000 15.9994 - 1589 SYS 530 TIP3 H1 A 0.417000 1.0079 - 1590 SYS 530 TIP3 H2 A 0.417000 1.0079 - 1591 SYS 531 TIP3 O1 C -0.834000 15.9994 - 1592 SYS 531 TIP3 H1 A 0.417000 1.0079 - 1593 SYS 531 TIP3 H2 A 0.417000 1.0079 - 1594 SYS 532 TIP3 O1 C -0.834000 15.9994 - 1595 SYS 532 TIP3 H1 A 0.417000 1.0079 - 1596 SYS 532 TIP3 H2 A 0.417000 1.0079 - 1597 SYS 533 TIP3 O1 C -0.834000 15.9994 - 1598 SYS 533 TIP3 H1 A 0.417000 1.0079 - 1599 SYS 533 TIP3 H2 A 0.417000 1.0079 - 1600 SYS 534 TIP3 O1 C -0.834000 15.9994 - 1601 SYS 534 TIP3 H1 A 0.417000 1.0079 - 1602 SYS 534 TIP3 H2 A 0.417000 1.0079 - 1603 SYS 535 TIP3 O1 C -0.834000 15.9994 - 1604 SYS 535 TIP3 H1 A 0.417000 1.0079 - 1605 SYS 535 TIP3 H2 A 0.417000 1.0079 - 1606 SYS 536 TIP3 O1 C -0.834000 15.9994 - 1607 SYS 536 TIP3 H1 A 0.417000 1.0079 - 1608 SYS 536 TIP3 H2 A 0.417000 1.0079 - 1609 SYS 537 TIP3 O1 C -0.834000 15.9994 - 1610 SYS 537 TIP3 H1 A 0.417000 1.0079 - 1611 SYS 537 TIP3 H2 A 0.417000 1.0079 - 1612 SYS 538 TIP3 O1 C -0.834000 15.9994 - 1613 SYS 538 TIP3 H1 A 0.417000 1.0079 - 1614 SYS 538 TIP3 H2 A 0.417000 1.0079 - 1615 SYS 539 TIP3 O1 C -0.834000 15.9994 - 1616 SYS 539 TIP3 H1 A 0.417000 1.0079 - 1617 SYS 539 TIP3 H2 A 0.417000 1.0079 - 1618 SYS 540 TIP3 O1 C -0.834000 15.9994 - 1619 SYS 540 TIP3 H1 A 0.417000 1.0079 - 1620 SYS 540 TIP3 H2 A 0.417000 1.0079 - 1621 SYS 541 TIP3 O1 C -0.834000 15.9994 - 1622 SYS 541 TIP3 H1 A 0.417000 1.0079 - 1623 SYS 541 TIP3 H2 A 0.417000 1.0079 - 1624 SYS 542 TIP3 O1 C -0.834000 15.9994 - 1625 SYS 542 TIP3 H1 A 0.417000 1.0079 - 1626 SYS 542 TIP3 H2 A 0.417000 1.0079 - 1627 SYS 543 TIP3 O1 C -0.834000 15.9994 - 1628 SYS 543 TIP3 H1 A 0.417000 1.0079 - 1629 SYS 543 TIP3 H2 A 0.417000 1.0079 - 1630 SYS 544 TIP3 O1 C -0.834000 15.9994 - 1631 SYS 544 TIP3 H1 A 0.417000 1.0079 - 1632 SYS 544 TIP3 H2 A 0.417000 1.0079 - 1633 SYS 545 TIP3 O1 C -0.834000 15.9994 - 1634 SYS 545 TIP3 H1 A 0.417000 1.0079 - 1635 SYS 545 TIP3 H2 A 0.417000 1.0079 - 1636 SYS 546 TIP3 O1 C -0.834000 15.9994 - 1637 SYS 546 TIP3 H1 A 0.417000 1.0079 - 1638 SYS 546 TIP3 H2 A 0.417000 1.0079 - 1639 SYS 547 TIP3 O1 C -0.834000 15.9994 - 1640 SYS 547 TIP3 H1 A 0.417000 1.0079 - 1641 SYS 547 TIP3 H2 A 0.417000 1.0079 - 1642 SYS 548 TIP3 O1 C -0.834000 15.9994 - 1643 SYS 548 TIP3 H1 A 0.417000 1.0079 - 1644 SYS 548 TIP3 H2 A 0.417000 1.0079 - 1645 SYS 549 TIP3 O1 C -0.834000 15.9994 - 1646 SYS 549 TIP3 H1 A 0.417000 1.0079 - 1647 SYS 549 TIP3 H2 A 0.417000 1.0079 - 1648 SYS 550 TIP3 O1 C -0.834000 15.9994 - 1649 SYS 550 TIP3 H1 A 0.417000 1.0079 - 1650 SYS 550 TIP3 H2 A 0.417000 1.0079 - 1651 SYS 551 TIP3 O1 C -0.834000 15.9994 - 1652 SYS 551 TIP3 H1 A 0.417000 1.0079 - 1653 SYS 551 TIP3 H2 A 0.417000 1.0079 - 1654 SYS 552 TIP3 O1 C -0.834000 15.9994 - 1655 SYS 552 TIP3 H1 A 0.417000 1.0079 - 1656 SYS 552 TIP3 H2 A 0.417000 1.0079 - 1657 SYS 553 TIP3 O1 C -0.834000 15.9994 - 1658 SYS 553 TIP3 H1 A 0.417000 1.0079 - 1659 SYS 553 TIP3 H2 A 0.417000 1.0079 - 1660 SYS 554 TIP3 O1 C -0.834000 15.9994 - 1661 SYS 554 TIP3 H1 A 0.417000 1.0079 - 1662 SYS 554 TIP3 H2 A 0.417000 1.0079 - 1663 SYS 555 TIP3 O1 C -0.834000 15.9994 - 1664 SYS 555 TIP3 H1 A 0.417000 1.0079 - 1665 SYS 555 TIP3 H2 A 0.417000 1.0079 - 1666 SYS 556 TIP3 O1 C -0.834000 15.9994 - 1667 SYS 556 TIP3 H1 A 0.417000 1.0079 - 1668 SYS 556 TIP3 H2 A 0.417000 1.0079 - 1669 SYS 557 TIP3 O1 C -0.834000 15.9994 - 1670 SYS 557 TIP3 H1 A 0.417000 1.0079 - 1671 SYS 557 TIP3 H2 A 0.417000 1.0079 - 1672 SYS 558 TIP3 O1 C -0.834000 15.9994 - 1673 SYS 558 TIP3 H1 A 0.417000 1.0079 - 1674 SYS 558 TIP3 H2 A 0.417000 1.0079 - 1675 SYS 559 TIP3 O1 C -0.834000 15.9994 - 1676 SYS 559 TIP3 H1 A 0.417000 1.0079 - 1677 SYS 559 TIP3 H2 A 0.417000 1.0079 - 1678 SYS 560 TIP3 O1 C -0.834000 15.9994 - 1679 SYS 560 TIP3 H1 A 0.417000 1.0079 - 1680 SYS 560 TIP3 H2 A 0.417000 1.0079 - 1681 SYS 561 TIP3 O1 C -0.834000 15.9994 - 1682 SYS 561 TIP3 H1 A 0.417000 1.0079 - 1683 SYS 561 TIP3 H2 A 0.417000 1.0079 - 1684 SYS 562 TIP3 O1 C -0.834000 15.9994 - 1685 SYS 562 TIP3 H1 A 0.417000 1.0079 - 1686 SYS 562 TIP3 H2 A 0.417000 1.0079 - 1687 SYS 563 TIP3 O1 C -0.834000 15.9994 - 1688 SYS 563 TIP3 H1 A 0.417000 1.0079 - 1689 SYS 563 TIP3 H2 A 0.417000 1.0079 - 1690 SYS 564 TIP3 O1 C -0.834000 15.9994 - 1691 SYS 564 TIP3 H1 A 0.417000 1.0079 - 1692 SYS 564 TIP3 H2 A 0.417000 1.0079 - 1693 SYS 565 TIP3 O1 C -0.834000 15.9994 - 1694 SYS 565 TIP3 H1 A 0.417000 1.0079 - 1695 SYS 565 TIP3 H2 A 0.417000 1.0079 - 1696 SYS 566 TIP3 O1 C -0.834000 15.9994 - 1697 SYS 566 TIP3 H1 A 0.417000 1.0079 - 1698 SYS 566 TIP3 H2 A 0.417000 1.0079 - 1699 SYS 567 TIP3 O1 C -0.834000 15.9994 - 1700 SYS 567 TIP3 H1 A 0.417000 1.0079 - 1701 SYS 567 TIP3 H2 A 0.417000 1.0079 - 1702 SYS 568 TIP3 O1 C -0.834000 15.9994 - 1703 SYS 568 TIP3 H1 A 0.417000 1.0079 - 1704 SYS 568 TIP3 H2 A 0.417000 1.0079 - 1705 SYS 569 TIP3 O1 C -0.834000 15.9994 - 1706 SYS 569 TIP3 H1 A 0.417000 1.0079 - 1707 SYS 569 TIP3 H2 A 0.417000 1.0079 - 1708 SYS 570 TIP3 O1 C -0.834000 15.9994 - 1709 SYS 570 TIP3 H1 A 0.417000 1.0079 - 1710 SYS 570 TIP3 H2 A 0.417000 1.0079 - 1711 SYS 571 TIP3 O1 C -0.834000 15.9994 - 1712 SYS 571 TIP3 H1 A 0.417000 1.0079 - 1713 SYS 571 TIP3 H2 A 0.417000 1.0079 - 1714 SYS 572 TIP3 O1 C -0.834000 15.9994 - 1715 SYS 572 TIP3 H1 A 0.417000 1.0079 - 1716 SYS 572 TIP3 H2 A 0.417000 1.0079 - 1717 SYS 573 TIP3 O1 C -0.834000 15.9994 - 1718 SYS 573 TIP3 H1 A 0.417000 1.0079 - 1719 SYS 573 TIP3 H2 A 0.417000 1.0079 - 1720 SYS 574 TIP3 O1 C -0.834000 15.9994 - 1721 SYS 574 TIP3 H1 A 0.417000 1.0079 - 1722 SYS 574 TIP3 H2 A 0.417000 1.0079 - 1723 SYS 575 TIP3 O1 C -0.834000 15.9994 - 1724 SYS 575 TIP3 H1 A 0.417000 1.0079 - 1725 SYS 575 TIP3 H2 A 0.417000 1.0079 - 1726 SYS 576 TIP3 O1 C -0.834000 15.9994 - 1727 SYS 576 TIP3 H1 A 0.417000 1.0079 - 1728 SYS 576 TIP3 H2 A 0.417000 1.0079 - 1729 SYS 577 TIP3 O1 C -0.834000 15.9994 - 1730 SYS 577 TIP3 H1 A 0.417000 1.0079 - 1731 SYS 577 TIP3 H2 A 0.417000 1.0079 - 1732 SYS 578 TIP3 O1 C -0.834000 15.9994 - 1733 SYS 578 TIP3 H1 A 0.417000 1.0079 - 1734 SYS 578 TIP3 H2 A 0.417000 1.0079 - 1735 SYS 579 TIP3 O1 C -0.834000 15.9994 - 1736 SYS 579 TIP3 H1 A 0.417000 1.0079 - 1737 SYS 579 TIP3 H2 A 0.417000 1.0079 - 1738 SYS 580 TIP3 O1 C -0.834000 15.9994 - 1739 SYS 580 TIP3 H1 A 0.417000 1.0079 - 1740 SYS 580 TIP3 H2 A 0.417000 1.0079 - 1741 SYS 581 TIP3 O1 C -0.834000 15.9994 - 1742 SYS 581 TIP3 H1 A 0.417000 1.0079 - 1743 SYS 581 TIP3 H2 A 0.417000 1.0079 - 1744 SYS 582 TIP3 O1 C -0.834000 15.9994 - 1745 SYS 582 TIP3 H1 A 0.417000 1.0079 - 1746 SYS 582 TIP3 H2 A 0.417000 1.0079 - 1747 SYS 583 TIP3 O1 C -0.834000 15.9994 - 1748 SYS 583 TIP3 H1 A 0.417000 1.0079 - 1749 SYS 583 TIP3 H2 A 0.417000 1.0079 - 1750 SYS 584 TIP3 O1 C -0.834000 15.9994 - 1751 SYS 584 TIP3 H1 A 0.417000 1.0079 - 1752 SYS 584 TIP3 H2 A 0.417000 1.0079 - 1753 SYS 585 TIP3 O1 C -0.834000 15.9994 - 1754 SYS 585 TIP3 H1 A 0.417000 1.0079 - 1755 SYS 585 TIP3 H2 A 0.417000 1.0079 - 1756 SYS 586 TIP3 O1 C -0.834000 15.9994 - 1757 SYS 586 TIP3 H1 A 0.417000 1.0079 - 1758 SYS 586 TIP3 H2 A 0.417000 1.0079 - 1759 SYS 587 TIP3 O1 C -0.834000 15.9994 - 1760 SYS 587 TIP3 H1 A 0.417000 1.0079 - 1761 SYS 587 TIP3 H2 A 0.417000 1.0079 - 1762 SYS 588 TIP3 O1 C -0.834000 15.9994 - 1763 SYS 588 TIP3 H1 A 0.417000 1.0079 - 1764 SYS 588 TIP3 H2 A 0.417000 1.0079 - 1765 SYS 589 TIP3 O1 C -0.834000 15.9994 - 1766 SYS 589 TIP3 H1 A 0.417000 1.0079 - 1767 SYS 589 TIP3 H2 A 0.417000 1.0079 - 1768 SYS 590 TIP3 O1 C -0.834000 15.9994 - 1769 SYS 590 TIP3 H1 A 0.417000 1.0079 - 1770 SYS 590 TIP3 H2 A 0.417000 1.0079 - 1771 SYS 591 TIP3 O1 C -0.834000 15.9994 - 1772 SYS 591 TIP3 H1 A 0.417000 1.0079 - 1773 SYS 591 TIP3 H2 A 0.417000 1.0079 - 1774 SYS 592 TIP3 O1 C -0.834000 15.9994 - 1775 SYS 592 TIP3 H1 A 0.417000 1.0079 - 1776 SYS 592 TIP3 H2 A 0.417000 1.0079 - 1777 SYS 593 TIP3 O1 C -0.834000 15.9994 - 1778 SYS 593 TIP3 H1 A 0.417000 1.0079 - 1779 SYS 593 TIP3 H2 A 0.417000 1.0079 - 1780 SYS 594 TIP3 O1 C -0.834000 15.9994 - 1781 SYS 594 TIP3 H1 A 0.417000 1.0079 - 1782 SYS 594 TIP3 H2 A 0.417000 1.0079 - 1783 SYS 595 TIP3 O1 C -0.834000 15.9994 - 1784 SYS 595 TIP3 H1 A 0.417000 1.0079 - 1785 SYS 595 TIP3 H2 A 0.417000 1.0079 - 1786 SYS 596 TIP3 O1 C -0.834000 15.9994 - 1787 SYS 596 TIP3 H1 A 0.417000 1.0079 - 1788 SYS 596 TIP3 H2 A 0.417000 1.0079 - 1789 SYS 597 TIP3 O1 C -0.834000 15.9994 - 1790 SYS 597 TIP3 H1 A 0.417000 1.0079 - 1791 SYS 597 TIP3 H2 A 0.417000 1.0079 - 1792 SYS 598 TIP3 O1 C -0.834000 15.9994 - 1793 SYS 598 TIP3 H1 A 0.417000 1.0079 - 1794 SYS 598 TIP3 H2 A 0.417000 1.0079 - 1795 SYS 599 TIP3 O1 C -0.834000 15.9994 - 1796 SYS 599 TIP3 H1 A 0.417000 1.0079 - 1797 SYS 599 TIP3 H2 A 0.417000 1.0079 - 1798 SYS 600 TIP3 O1 C -0.834000 15.9994 - 1799 SYS 600 TIP3 H1 A 0.417000 1.0079 - 1800 SYS 600 TIP3 H2 A 0.417000 1.0079 - 1801 SYS 601 TIP3 O1 C -0.834000 15.9994 - 1802 SYS 601 TIP3 H1 A 0.417000 1.0079 - 1803 SYS 601 TIP3 H2 A 0.417000 1.0079 - 1804 SYS 602 TIP3 O1 C -0.834000 15.9994 - 1805 SYS 602 TIP3 H1 A 0.417000 1.0079 - 1806 SYS 602 TIP3 H2 A 0.417000 1.0079 - 1807 SYS 603 TIP3 O1 C -0.834000 15.9994 - 1808 SYS 603 TIP3 H1 A 0.417000 1.0079 - 1809 SYS 603 TIP3 H2 A 0.417000 1.0079 - 1810 SYS 604 TIP3 O1 C -0.834000 15.9994 - 1811 SYS 604 TIP3 H1 A 0.417000 1.0079 - 1812 SYS 604 TIP3 H2 A 0.417000 1.0079 - 1813 SYS 605 TIP3 O1 C -0.834000 15.9994 - 1814 SYS 605 TIP3 H1 A 0.417000 1.0079 - 1815 SYS 605 TIP3 H2 A 0.417000 1.0079 - 1816 SYS 606 TIP3 O1 C -0.834000 15.9994 - 1817 SYS 606 TIP3 H1 A 0.417000 1.0079 - 1818 SYS 606 TIP3 H2 A 0.417000 1.0079 - 1819 SYS 607 TIP3 O1 C -0.834000 15.9994 - 1820 SYS 607 TIP3 H1 A 0.417000 1.0079 - 1821 SYS 607 TIP3 H2 A 0.417000 1.0079 - 1822 SYS 608 TIP3 O1 C -0.834000 15.9994 - 1823 SYS 608 TIP3 H1 A 0.417000 1.0079 - 1824 SYS 608 TIP3 H2 A 0.417000 1.0079 - 1825 SYS 609 TIP3 O1 C -0.834000 15.9994 - 1826 SYS 609 TIP3 H1 A 0.417000 1.0079 - 1827 SYS 609 TIP3 H2 A 0.417000 1.0079 - 1828 SYS 610 TIP3 O1 C -0.834000 15.9994 - 1829 SYS 610 TIP3 H1 A 0.417000 1.0079 - 1830 SYS 610 TIP3 H2 A 0.417000 1.0079 - 1831 SYS 611 TIP3 O1 C -0.834000 15.9994 - 1832 SYS 611 TIP3 H1 A 0.417000 1.0079 - 1833 SYS 611 TIP3 H2 A 0.417000 1.0079 - 1834 SYS 612 TIP3 O1 C -0.834000 15.9994 - 1835 SYS 612 TIP3 H1 A 0.417000 1.0079 - 1836 SYS 612 TIP3 H2 A 0.417000 1.0079 - 1837 SYS 613 TIP3 O1 C -0.834000 15.9994 - 1838 SYS 613 TIP3 H1 A 0.417000 1.0079 - 1839 SYS 613 TIP3 H2 A 0.417000 1.0079 - 1840 SYS 614 TIP3 O1 C -0.834000 15.9994 - 1841 SYS 614 TIP3 H1 A 0.417000 1.0079 - 1842 SYS 614 TIP3 H2 A 0.417000 1.0079 - 1843 SYS 615 TIP3 O1 C -0.834000 15.9994 - 1844 SYS 615 TIP3 H1 A 0.417000 1.0079 - 1845 SYS 615 TIP3 H2 A 0.417000 1.0079 - 1846 SYS 616 TIP3 O1 C -0.834000 15.9994 - 1847 SYS 616 TIP3 H1 A 0.417000 1.0079 - 1848 SYS 616 TIP3 H2 A 0.417000 1.0079 - 1849 SYS 617 TIP3 O1 C -0.834000 15.9994 - 1850 SYS 617 TIP3 H1 A 0.417000 1.0079 - 1851 SYS 617 TIP3 H2 A 0.417000 1.0079 - 1852 SYS 618 TIP3 O1 C -0.834000 15.9994 - 1853 SYS 618 TIP3 H1 A 0.417000 1.0079 - 1854 SYS 618 TIP3 H2 A 0.417000 1.0079 - 1855 SYS 619 TIP3 O1 C -0.834000 15.9994 - 1856 SYS 619 TIP3 H1 A 0.417000 1.0079 - 1857 SYS 619 TIP3 H2 A 0.417000 1.0079 - 1858 SYS 620 TIP3 O1 C -0.834000 15.9994 - 1859 SYS 620 TIP3 H1 A 0.417000 1.0079 - 1860 SYS 620 TIP3 H2 A 0.417000 1.0079 - 1861 SYS 621 TIP3 O1 C -0.834000 15.9994 - 1862 SYS 621 TIP3 H1 A 0.417000 1.0079 - 1863 SYS 621 TIP3 H2 A 0.417000 1.0079 - 1864 SYS 622 TIP3 O1 C -0.834000 15.9994 - 1865 SYS 622 TIP3 H1 A 0.417000 1.0079 - 1866 SYS 622 TIP3 H2 A 0.417000 1.0079 - 1867 SYS 623 TIP3 O1 C -0.834000 15.9994 - 1868 SYS 623 TIP3 H1 A 0.417000 1.0079 - 1869 SYS 623 TIP3 H2 A 0.417000 1.0079 - 1870 SYS 624 TIP3 O1 C -0.834000 15.9994 - 1871 SYS 624 TIP3 H1 A 0.417000 1.0079 - 1872 SYS 624 TIP3 H2 A 0.417000 1.0079 - 1873 SYS 625 TIP3 O1 C -0.834000 15.9994 - 1874 SYS 625 TIP3 H1 A 0.417000 1.0079 - 1875 SYS 625 TIP3 H2 A 0.417000 1.0079 - 1876 SYS 626 TIP3 O1 C -0.834000 15.9994 - 1877 SYS 626 TIP3 H1 A 0.417000 1.0079 - 1878 SYS 626 TIP3 H2 A 0.417000 1.0079 - 1879 SYS 627 TIP3 O1 C -0.834000 15.9994 - 1880 SYS 627 TIP3 H1 A 0.417000 1.0079 - 1881 SYS 627 TIP3 H2 A 0.417000 1.0079 - 1882 SYS 628 TIP3 O1 C -0.834000 15.9994 - 1883 SYS 628 TIP3 H1 A 0.417000 1.0079 - 1884 SYS 628 TIP3 H2 A 0.417000 1.0079 - 1885 SYS 629 TIP3 O1 C -0.834000 15.9994 - 1886 SYS 629 TIP3 H1 A 0.417000 1.0079 - 1887 SYS 629 TIP3 H2 A 0.417000 1.0079 - 1888 SYS 630 TIP3 O1 C -0.834000 15.9994 - 1889 SYS 630 TIP3 H1 A 0.417000 1.0079 - 1890 SYS 630 TIP3 H2 A 0.417000 1.0079 - 1891 SYS 631 TIP3 O1 C -0.834000 15.9994 - 1892 SYS 631 TIP3 H1 A 0.417000 1.0079 - 1893 SYS 631 TIP3 H2 A 0.417000 1.0079 - 1894 SYS 632 TIP3 O1 C -0.834000 15.9994 - 1895 SYS 632 TIP3 H1 A 0.417000 1.0079 - 1896 SYS 632 TIP3 H2 A 0.417000 1.0079 - 1897 SYS 633 TIP3 O1 C -0.834000 15.9994 - 1898 SYS 633 TIP3 H1 A 0.417000 1.0079 - 1899 SYS 633 TIP3 H2 A 0.417000 1.0079 - 1900 SYS 634 TIP3 O1 C -0.834000 15.9994 - 1901 SYS 634 TIP3 H1 A 0.417000 1.0079 - 1902 SYS 634 TIP3 H2 A 0.417000 1.0079 - 1903 SYS 635 TIP3 O1 C -0.834000 15.9994 - 1904 SYS 635 TIP3 H1 A 0.417000 1.0079 - 1905 SYS 635 TIP3 H2 A 0.417000 1.0079 - 1906 SYS 636 TIP3 O1 C -0.834000 15.9994 - 1907 SYS 636 TIP3 H1 A 0.417000 1.0079 - 1908 SYS 636 TIP3 H2 A 0.417000 1.0079 - 1909 SYS 637 TIP3 O1 C -0.834000 15.9994 - 1910 SYS 637 TIP3 H1 A 0.417000 1.0079 - 1911 SYS 637 TIP3 H2 A 0.417000 1.0079 - 1912 SYS 638 TIP3 O1 C -0.834000 15.9994 - 1913 SYS 638 TIP3 H1 A 0.417000 1.0079 - 1914 SYS 638 TIP3 H2 A 0.417000 1.0079 - 1915 SYS 639 TIP3 O1 C -0.834000 15.9994 - 1916 SYS 639 TIP3 H1 A 0.417000 1.0079 - 1917 SYS 639 TIP3 H2 A 0.417000 1.0079 - 1918 SYS 640 TIP3 O1 C -0.834000 15.9994 - 1919 SYS 640 TIP3 H1 A 0.417000 1.0079 - 1920 SYS 640 TIP3 H2 A 0.417000 1.0079 - 1921 SYS 641 TIP3 O1 C -0.834000 15.9994 - 1922 SYS 641 TIP3 H1 A 0.417000 1.0079 - 1923 SYS 641 TIP3 H2 A 0.417000 1.0079 - 1924 SYS 642 TIP3 O1 C -0.834000 15.9994 - 1925 SYS 642 TIP3 H1 A 0.417000 1.0079 - 1926 SYS 642 TIP3 H2 A 0.417000 1.0079 - 1927 SYS 643 TIP3 O1 C -0.834000 15.9994 - 1928 SYS 643 TIP3 H1 A 0.417000 1.0079 - 1929 SYS 643 TIP3 H2 A 0.417000 1.0079 - 1930 SYS 644 TIP3 O1 C -0.834000 15.9994 - 1931 SYS 644 TIP3 H1 A 0.417000 1.0079 - 1932 SYS 644 TIP3 H2 A 0.417000 1.0079 - 1933 SYS 645 TIP3 O1 C -0.834000 15.9994 - 1934 SYS 645 TIP3 H1 A 0.417000 1.0079 - 1935 SYS 645 TIP3 H2 A 0.417000 1.0079 - 1936 SYS 646 TIP3 O1 C -0.834000 15.9994 - 1937 SYS 646 TIP3 H1 A 0.417000 1.0079 - 1938 SYS 646 TIP3 H2 A 0.417000 1.0079 - 1939 SYS 647 TIP3 O1 C -0.834000 15.9994 - 1940 SYS 647 TIP3 H1 A 0.417000 1.0079 - 1941 SYS 647 TIP3 H2 A 0.417000 1.0079 - 1942 SYS 648 TIP3 O1 C -0.834000 15.9994 - 1943 SYS 648 TIP3 H1 A 0.417000 1.0079 - 1944 SYS 648 TIP3 H2 A 0.417000 1.0079 - 1945 SYS 649 TIP3 O1 C -0.834000 15.9994 - 1946 SYS 649 TIP3 H1 A 0.417000 1.0079 - 1947 SYS 649 TIP3 H2 A 0.417000 1.0079 - 1948 SYS 650 TIP3 O1 C -0.834000 15.9994 - 1949 SYS 650 TIP3 H1 A 0.417000 1.0079 - 1950 SYS 650 TIP3 H2 A 0.417000 1.0079 - 1951 SYS 651 TIP3 O1 C -0.834000 15.9994 - 1952 SYS 651 TIP3 H1 A 0.417000 1.0079 - 1953 SYS 651 TIP3 H2 A 0.417000 1.0079 - 1954 SYS 652 TIP3 O1 C -0.834000 15.9994 - 1955 SYS 652 TIP3 H1 A 0.417000 1.0079 - 1956 SYS 652 TIP3 H2 A 0.417000 1.0079 - 1957 SYS 653 TIP3 O1 C -0.834000 15.9994 - 1958 SYS 653 TIP3 H1 A 0.417000 1.0079 - 1959 SYS 653 TIP3 H2 A 0.417000 1.0079 - 1960 SYS 654 TIP3 O1 C -0.834000 15.9994 - 1961 SYS 654 TIP3 H1 A 0.417000 1.0079 - 1962 SYS 654 TIP3 H2 A 0.417000 1.0079 - 1963 SYS 655 TIP3 O1 C -0.834000 15.9994 - 1964 SYS 655 TIP3 H1 A 0.417000 1.0079 - 1965 SYS 655 TIP3 H2 A 0.417000 1.0079 - 1966 SYS 656 TIP3 O1 C -0.834000 15.9994 - 1967 SYS 656 TIP3 H1 A 0.417000 1.0079 - 1968 SYS 656 TIP3 H2 A 0.417000 1.0079 - 1969 SYS 657 TIP3 O1 C -0.834000 15.9994 - 1970 SYS 657 TIP3 H1 A 0.417000 1.0079 - 1971 SYS 657 TIP3 H2 A 0.417000 1.0079 - 1972 SYS 658 TIP3 O1 C -0.834000 15.9994 - 1973 SYS 658 TIP3 H1 A 0.417000 1.0079 - 1974 SYS 658 TIP3 H2 A 0.417000 1.0079 - 1975 SYS 659 TIP3 O1 C -0.834000 15.9994 - 1976 SYS 659 TIP3 H1 A 0.417000 1.0079 - 1977 SYS 659 TIP3 H2 A 0.417000 1.0079 - 1978 SYS 660 TIP3 O1 C -0.834000 15.9994 - 1979 SYS 660 TIP3 H1 A 0.417000 1.0079 - 1980 SYS 660 TIP3 H2 A 0.417000 1.0079 - 1981 SYS 661 TIP3 O1 C -0.834000 15.9994 - 1982 SYS 661 TIP3 H1 A 0.417000 1.0079 - 1983 SYS 661 TIP3 H2 A 0.417000 1.0079 - 1984 SYS 662 TIP3 O1 C -0.834000 15.9994 - 1985 SYS 662 TIP3 H1 A 0.417000 1.0079 - 1986 SYS 662 TIP3 H2 A 0.417000 1.0079 - 1987 SYS 663 TIP3 O1 C -0.834000 15.9994 - 1988 SYS 663 TIP3 H1 A 0.417000 1.0079 - 1989 SYS 663 TIP3 H2 A 0.417000 1.0079 - 1990 SYS 664 TIP3 O1 C -0.834000 15.9994 - 1991 SYS 664 TIP3 H1 A 0.417000 1.0079 - 1992 SYS 664 TIP3 H2 A 0.417000 1.0079 - 1993 SYS 665 TIP3 O1 C -0.834000 15.9994 - 1994 SYS 665 TIP3 H1 A 0.417000 1.0079 - 1995 SYS 665 TIP3 H2 A 0.417000 1.0079 - 1996 SYS 666 TIP3 O1 C -0.834000 15.9994 - 1997 SYS 666 TIP3 H1 A 0.417000 1.0079 - 1998 SYS 666 TIP3 H2 A 0.417000 1.0079 - 1999 SYS 667 TIP3 O1 C -0.834000 15.9994 - 2000 SYS 667 TIP3 H1 A 0.417000 1.0079 - 2001 SYS 667 TIP3 H2 A 0.417000 1.0079 - 2002 SYS 668 TIP3 O1 C -0.834000 15.9994 - 2003 SYS 668 TIP3 H1 A 0.417000 1.0079 - 2004 SYS 668 TIP3 H2 A 0.417000 1.0079 - 2005 SYS 669 TIP3 O1 C -0.834000 15.9994 - 2006 SYS 669 TIP3 H1 A 0.417000 1.0079 - 2007 SYS 669 TIP3 H2 A 0.417000 1.0079 - 2008 SYS 670 TIP3 O1 C -0.834000 15.9994 - 2009 SYS 670 TIP3 H1 A 0.417000 1.0079 - 2010 SYS 670 TIP3 H2 A 0.417000 1.0079 - 2011 SYS 671 TIP3 O1 C -0.834000 15.9994 - 2012 SYS 671 TIP3 H1 A 0.417000 1.0079 - 2013 SYS 671 TIP3 H2 A 0.417000 1.0079 - 2014 SYS 672 TIP3 O1 C -0.834000 15.9994 - 2015 SYS 672 TIP3 H1 A 0.417000 1.0079 - 2016 SYS 672 TIP3 H2 A 0.417000 1.0079 - 2017 SYS 673 TIP3 O1 C -0.834000 15.9994 - 2018 SYS 673 TIP3 H1 A 0.417000 1.0079 - 2019 SYS 673 TIP3 H2 A 0.417000 1.0079 - 2020 SYS 674 TIP3 O1 C -0.834000 15.9994 - 2021 SYS 674 TIP3 H1 A 0.417000 1.0079 - 2022 SYS 674 TIP3 H2 A 0.417000 1.0079 - 2023 SYS 675 TIP3 O1 C -0.834000 15.9994 - 2024 SYS 675 TIP3 H1 A 0.417000 1.0079 - 2025 SYS 675 TIP3 H2 A 0.417000 1.0079 - 2026 SYS 676 TIP3 O1 C -0.834000 15.9994 - 2027 SYS 676 TIP3 H1 A 0.417000 1.0079 - 2028 SYS 676 TIP3 H2 A 0.417000 1.0079 - 2029 SYS 677 TIP3 O1 C -0.834000 15.9994 - 2030 SYS 677 TIP3 H1 A 0.417000 1.0079 - 2031 SYS 677 TIP3 H2 A 0.417000 1.0079 - 2032 SYS 678 TIP3 O1 C -0.834000 15.9994 - 2033 SYS 678 TIP3 H1 A 0.417000 1.0079 - 2034 SYS 678 TIP3 H2 A 0.417000 1.0079 - 2035 SYS 679 TIP3 O1 C -0.834000 15.9994 - 2036 SYS 679 TIP3 H1 A 0.417000 1.0079 - 2037 SYS 679 TIP3 H2 A 0.417000 1.0079 - 2038 SYS 680 TIP3 O1 C -0.834000 15.9994 - 2039 SYS 680 TIP3 H1 A 0.417000 1.0079 - 2040 SYS 680 TIP3 H2 A 0.417000 1.0079 - 2041 SYS 681 TIP3 O1 C -0.834000 15.9994 - 2042 SYS 681 TIP3 H1 A 0.417000 1.0079 - 2043 SYS 681 TIP3 H2 A 0.417000 1.0079 - 2044 SYS 682 TIP3 O1 C -0.834000 15.9994 - 2045 SYS 682 TIP3 H1 A 0.417000 1.0079 - 2046 SYS 682 TIP3 H2 A 0.417000 1.0079 - 2047 SYS 683 TIP3 O1 C -0.834000 15.9994 - 2048 SYS 683 TIP3 H1 A 0.417000 1.0079 - 2049 SYS 683 TIP3 H2 A 0.417000 1.0079 - 2050 SYS 684 TIP3 O1 C -0.834000 15.9994 - 2051 SYS 684 TIP3 H1 A 0.417000 1.0079 - 2052 SYS 684 TIP3 H2 A 0.417000 1.0079 - 2053 SYS 685 TIP3 O1 C -0.834000 15.9994 - 2054 SYS 685 TIP3 H1 A 0.417000 1.0079 - 2055 SYS 685 TIP3 H2 A 0.417000 1.0079 - 2056 SYS 686 TIP3 O1 C -0.834000 15.9994 - 2057 SYS 686 TIP3 H1 A 0.417000 1.0079 - 2058 SYS 686 TIP3 H2 A 0.417000 1.0079 - 2059 SYS 687 TIP3 O1 C -0.834000 15.9994 - 2060 SYS 687 TIP3 H1 A 0.417000 1.0079 - 2061 SYS 687 TIP3 H2 A 0.417000 1.0079 - 2062 SYS 688 TIP3 O1 C -0.834000 15.9994 - 2063 SYS 688 TIP3 H1 A 0.417000 1.0079 - 2064 SYS 688 TIP3 H2 A 0.417000 1.0079 - 2065 SYS 689 TIP3 O1 C -0.834000 15.9994 - 2066 SYS 689 TIP3 H1 A 0.417000 1.0079 - 2067 SYS 689 TIP3 H2 A 0.417000 1.0079 - 2068 SYS 690 TIP3 O1 C -0.834000 15.9994 - 2069 SYS 690 TIP3 H1 A 0.417000 1.0079 - 2070 SYS 690 TIP3 H2 A 0.417000 1.0079 - 2071 SYS 691 TIP3 O1 C -0.834000 15.9994 - 2072 SYS 691 TIP3 H1 A 0.417000 1.0079 - 2073 SYS 691 TIP3 H2 A 0.417000 1.0079 - 2074 SYS 692 TIP3 O1 C -0.834000 15.9994 - 2075 SYS 692 TIP3 H1 A 0.417000 1.0079 - 2076 SYS 692 TIP3 H2 A 0.417000 1.0079 - 2077 SYS 693 TIP3 O1 C -0.834000 15.9994 - 2078 SYS 693 TIP3 H1 A 0.417000 1.0079 - 2079 SYS 693 TIP3 H2 A 0.417000 1.0079 - 2080 SYS 694 TIP3 O1 C -0.834000 15.9994 - 2081 SYS 694 TIP3 H1 A 0.417000 1.0079 - 2082 SYS 694 TIP3 H2 A 0.417000 1.0079 - 2083 SYS 695 TIP3 O1 C -0.834000 15.9994 - 2084 SYS 695 TIP3 H1 A 0.417000 1.0079 - 2085 SYS 695 TIP3 H2 A 0.417000 1.0079 - 2086 SYS 696 TIP3 O1 C -0.834000 15.9994 - 2087 SYS 696 TIP3 H1 A 0.417000 1.0079 - 2088 SYS 696 TIP3 H2 A 0.417000 1.0079 - 2089 SYS 697 TIP3 O1 C -0.834000 15.9994 - 2090 SYS 697 TIP3 H1 A 0.417000 1.0079 - 2091 SYS 697 TIP3 H2 A 0.417000 1.0079 - 2092 SYS 698 TIP3 O1 C -0.834000 15.9994 - 2093 SYS 698 TIP3 H1 A 0.417000 1.0079 - 2094 SYS 698 TIP3 H2 A 0.417000 1.0079 - 2095 SYS 699 TIP3 O1 C -0.834000 15.9994 - 2096 SYS 699 TIP3 H1 A 0.417000 1.0079 - 2097 SYS 699 TIP3 H2 A 0.417000 1.0079 - 2098 SYS 700 TIP3 O1 C -0.834000 15.9994 - 2099 SYS 700 TIP3 H1 A 0.417000 1.0079 - 2100 SYS 700 TIP3 H2 A 0.417000 1.0079 - 2101 SYS 701 TIP3 O1 C -0.834000 15.9994 - 2102 SYS 701 TIP3 H1 A 0.417000 1.0079 - 2103 SYS 701 TIP3 H2 A 0.417000 1.0079 - 2104 SYS 702 TIP3 O1 C -0.834000 15.9994 - 2105 SYS 702 TIP3 H1 A 0.417000 1.0079 - 2106 SYS 702 TIP3 H2 A 0.417000 1.0079 - 2107 SYS 703 TIP3 O1 C -0.834000 15.9994 - 2108 SYS 703 TIP3 H1 A 0.417000 1.0079 - 2109 SYS 703 TIP3 H2 A 0.417000 1.0079 - 2110 SYS 704 TIP3 O1 C -0.834000 15.9994 - 2111 SYS 704 TIP3 H1 A 0.417000 1.0079 - 2112 SYS 704 TIP3 H2 A 0.417000 1.0079 - 2113 SYS 705 TIP3 O1 C -0.834000 15.9994 - 2114 SYS 705 TIP3 H1 A 0.417000 1.0079 - 2115 SYS 705 TIP3 H2 A 0.417000 1.0079 - 2116 SYS 706 TIP3 O1 C -0.834000 15.9994 - 2117 SYS 706 TIP3 H1 A 0.417000 1.0079 - 2118 SYS 706 TIP3 H2 A 0.417000 1.0079 - 2119 SYS 707 TIP3 O1 C -0.834000 15.9994 - 2120 SYS 707 TIP3 H1 A 0.417000 1.0079 - 2121 SYS 707 TIP3 H2 A 0.417000 1.0079 - 2122 SYS 708 TIP3 O1 C -0.834000 15.9994 - 2123 SYS 708 TIP3 H1 A 0.417000 1.0079 - 2124 SYS 708 TIP3 H2 A 0.417000 1.0079 - 2125 SYS 709 TIP3 O1 C -0.834000 15.9994 - 2126 SYS 709 TIP3 H1 A 0.417000 1.0079 - 2127 SYS 709 TIP3 H2 A 0.417000 1.0079 - 2128 SYS 710 TIP3 O1 C -0.834000 15.9994 - 2129 SYS 710 TIP3 H1 A 0.417000 1.0079 - 2130 SYS 710 TIP3 H2 A 0.417000 1.0079 - 2131 SYS 711 TIP3 O1 C -0.834000 15.9994 - 2132 SYS 711 TIP3 H1 A 0.417000 1.0079 - 2133 SYS 711 TIP3 H2 A 0.417000 1.0079 - 2134 SYS 712 TIP3 O1 C -0.834000 15.9994 - 2135 SYS 712 TIP3 H1 A 0.417000 1.0079 - 2136 SYS 712 TIP3 H2 A 0.417000 1.0079 - 2137 SYS 713 TIP3 O1 C -0.834000 15.9994 - 2138 SYS 713 TIP3 H1 A 0.417000 1.0079 - 2139 SYS 713 TIP3 H2 A 0.417000 1.0079 - 2140 SYS 714 TIP3 O1 C -0.834000 15.9994 - 2141 SYS 714 TIP3 H1 A 0.417000 1.0079 - 2142 SYS 714 TIP3 H2 A 0.417000 1.0079 - 2143 SYS 715 TIP3 O1 C -0.834000 15.9994 - 2144 SYS 715 TIP3 H1 A 0.417000 1.0079 - 2145 SYS 715 TIP3 H2 A 0.417000 1.0079 - 2146 SYS 716 TIP3 O1 C -0.834000 15.9994 - 2147 SYS 716 TIP3 H1 A 0.417000 1.0079 - 2148 SYS 716 TIP3 H2 A 0.417000 1.0079 - 2149 SYS 717 TIP3 O1 C -0.834000 15.9994 - 2150 SYS 717 TIP3 H1 A 0.417000 1.0079 - 2151 SYS 717 TIP3 H2 A 0.417000 1.0079 - 2152 SYS 718 TIP3 O1 C -0.834000 15.9994 - 2153 SYS 718 TIP3 H1 A 0.417000 1.0079 - 2154 SYS 718 TIP3 H2 A 0.417000 1.0079 - 2155 SYS 719 TIP3 O1 C -0.834000 15.9994 - 2156 SYS 719 TIP3 H1 A 0.417000 1.0079 - 2157 SYS 719 TIP3 H2 A 0.417000 1.0079 - 2158 SYS 720 TIP3 O1 C -0.834000 15.9994 - 2159 SYS 720 TIP3 H1 A 0.417000 1.0079 - 2160 SYS 720 TIP3 H2 A 0.417000 1.0079 - 2161 SYS 721 TIP3 O1 C -0.834000 15.9994 - 2162 SYS 721 TIP3 H1 A 0.417000 1.0079 - 2163 SYS 721 TIP3 H2 A 0.417000 1.0079 - 2164 SYS 722 TIP3 O1 C -0.834000 15.9994 - 2165 SYS 722 TIP3 H1 A 0.417000 1.0079 - 2166 SYS 722 TIP3 H2 A 0.417000 1.0079 - 2167 SYS 723 TIP3 O1 C -0.834000 15.9994 - 2168 SYS 723 TIP3 H1 A 0.417000 1.0079 - 2169 SYS 723 TIP3 H2 A 0.417000 1.0079 - 2170 SYS 724 TIP3 O1 C -0.834000 15.9994 - 2171 SYS 724 TIP3 H1 A 0.417000 1.0079 - 2172 SYS 724 TIP3 H2 A 0.417000 1.0079 - 2173 SYS 725 TIP3 O1 C -0.834000 15.9994 - 2174 SYS 725 TIP3 H1 A 0.417000 1.0079 - 2175 SYS 725 TIP3 H2 A 0.417000 1.0079 - 2176 SYS 726 TIP3 O1 C -0.834000 15.9994 - 2177 SYS 726 TIP3 H1 A 0.417000 1.0079 - 2178 SYS 726 TIP3 H2 A 0.417000 1.0079 - 2179 SYS 727 TIP3 O1 C -0.834000 15.9994 - 2180 SYS 727 TIP3 H1 A 0.417000 1.0079 - 2181 SYS 727 TIP3 H2 A 0.417000 1.0079 - 2182 SYS 728 TIP3 O1 C -0.834000 15.9994 - 2183 SYS 728 TIP3 H1 A 0.417000 1.0079 - 2184 SYS 728 TIP3 H2 A 0.417000 1.0079 - 2185 SYS 729 TIP3 O1 C -0.834000 15.9994 - 2186 SYS 729 TIP3 H1 A 0.417000 1.0079 - 2187 SYS 729 TIP3 H2 A 0.417000 1.0079 - 2188 SYS 730 TIP3 O1 C -0.834000 15.9994 - 2189 SYS 730 TIP3 H1 A 0.417000 1.0079 - 2190 SYS 730 TIP3 H2 A 0.417000 1.0079 - 2191 SYS 731 TIP3 O1 C -0.834000 15.9994 - 2192 SYS 731 TIP3 H1 A 0.417000 1.0079 - 2193 SYS 731 TIP3 H2 A 0.417000 1.0079 - 2194 SYS 732 TIP3 O1 C -0.834000 15.9994 - 2195 SYS 732 TIP3 H1 A 0.417000 1.0079 - 2196 SYS 732 TIP3 H2 A 0.417000 1.0079 - 2197 SYS 733 TIP3 O1 C -0.834000 15.9994 - 2198 SYS 733 TIP3 H1 A 0.417000 1.0079 - 2199 SYS 733 TIP3 H2 A 0.417000 1.0079 - 2200 SYS 734 TIP3 O1 C -0.834000 15.9994 - 2201 SYS 734 TIP3 H1 A 0.417000 1.0079 - 2202 SYS 734 TIP3 H2 A 0.417000 1.0079 - 2203 SYS 735 TIP3 O1 C -0.834000 15.9994 - 2204 SYS 735 TIP3 H1 A 0.417000 1.0079 - 2205 SYS 735 TIP3 H2 A 0.417000 1.0079 - 2206 SYS 736 TIP3 O1 C -0.834000 15.9994 - 2207 SYS 736 TIP3 H1 A 0.417000 1.0079 - 2208 SYS 736 TIP3 H2 A 0.417000 1.0079 - 2209 SYS 737 TIP3 O1 C -0.834000 15.9994 - 2210 SYS 737 TIP3 H1 A 0.417000 1.0079 - 2211 SYS 737 TIP3 H2 A 0.417000 1.0079 - 2212 SYS 738 TIP3 O1 C -0.834000 15.9994 - 2213 SYS 738 TIP3 H1 A 0.417000 1.0079 - 2214 SYS 738 TIP3 H2 A 0.417000 1.0079 - 2215 SYS 739 TIP3 O1 C -0.834000 15.9994 - 2216 SYS 739 TIP3 H1 A 0.417000 1.0079 - 2217 SYS 739 TIP3 H2 A 0.417000 1.0079 - 2218 SYS 740 TIP3 O1 C -0.834000 15.9994 - 2219 SYS 740 TIP3 H1 A 0.417000 1.0079 - 2220 SYS 740 TIP3 H2 A 0.417000 1.0079 - 2221 SYS 741 TIP3 O1 C -0.834000 15.9994 - 2222 SYS 741 TIP3 H1 A 0.417000 1.0079 - 2223 SYS 741 TIP3 H2 A 0.417000 1.0079 - 2224 SYS 742 TIP3 O1 C -0.834000 15.9994 - 2225 SYS 742 TIP3 H1 A 0.417000 1.0079 - 2226 SYS 742 TIP3 H2 A 0.417000 1.0079 - 2227 SYS 743 TIP3 O1 C -0.834000 15.9994 - 2228 SYS 743 TIP3 H1 A 0.417000 1.0079 - 2229 SYS 743 TIP3 H2 A 0.417000 1.0079 - 2230 SYS 744 TIP3 O1 C -0.834000 15.9994 - 2231 SYS 744 TIP3 H1 A 0.417000 1.0079 - 2232 SYS 744 TIP3 H2 A 0.417000 1.0079 - 2233 SYS 745 TIP3 O1 C -0.834000 15.9994 - 2234 SYS 745 TIP3 H1 A 0.417000 1.0079 - 2235 SYS 745 TIP3 H2 A 0.417000 1.0079 - 2236 SYS 746 TIP3 O1 C -0.834000 15.9994 - 2237 SYS 746 TIP3 H1 A 0.417000 1.0079 - 2238 SYS 746 TIP3 H2 A 0.417000 1.0079 - 2239 SYS 747 TIP3 O1 C -0.834000 15.9994 - 2240 SYS 747 TIP3 H1 A 0.417000 1.0079 - 2241 SYS 747 TIP3 H2 A 0.417000 1.0079 - 2242 SYS 748 TIP3 O1 C -0.834000 15.9994 - 2243 SYS 748 TIP3 H1 A 0.417000 1.0079 - 2244 SYS 748 TIP3 H2 A 0.417000 1.0079 - 2245 SYS 749 TIP3 O1 C -0.834000 15.9994 - 2246 SYS 749 TIP3 H1 A 0.417000 1.0079 - 2247 SYS 749 TIP3 H2 A 0.417000 1.0079 - 2248 SYS 750 TIP3 O1 C -0.834000 15.9994 - 2249 SYS 750 TIP3 H1 A 0.417000 1.0079 - 2250 SYS 750 TIP3 H2 A 0.417000 1.0079 - 2251 SYS 751 TIP3 O1 C -0.834000 15.9994 - 2252 SYS 751 TIP3 H1 A 0.417000 1.0079 - 2253 SYS 751 TIP3 H2 A 0.417000 1.0079 - 2254 SYS 752 TIP3 O1 C -0.834000 15.9994 - 2255 SYS 752 TIP3 H1 A 0.417000 1.0079 - 2256 SYS 752 TIP3 H2 A 0.417000 1.0079 - 2257 SYS 753 TIP3 O1 C -0.834000 15.9994 - 2258 SYS 753 TIP3 H1 A 0.417000 1.0079 - 2259 SYS 753 TIP3 H2 A 0.417000 1.0079 - 2260 SYS 754 TIP3 O1 C -0.834000 15.9994 - 2261 SYS 754 TIP3 H1 A 0.417000 1.0079 - 2262 SYS 754 TIP3 H2 A 0.417000 1.0079 - 2263 SYS 755 TIP3 O1 C -0.834000 15.9994 - 2264 SYS 755 TIP3 H1 A 0.417000 1.0079 - 2265 SYS 755 TIP3 H2 A 0.417000 1.0079 - 2266 SYS 756 TIP3 O1 C -0.834000 15.9994 - 2267 SYS 756 TIP3 H1 A 0.417000 1.0079 - 2268 SYS 756 TIP3 H2 A 0.417000 1.0079 - 2269 SYS 757 TIP3 O1 C -0.834000 15.9994 - 2270 SYS 757 TIP3 H1 A 0.417000 1.0079 - 2271 SYS 757 TIP3 H2 A 0.417000 1.0079 - 2272 SYS 758 TIP3 O1 C -0.834000 15.9994 - 2273 SYS 758 TIP3 H1 A 0.417000 1.0079 - 2274 SYS 758 TIP3 H2 A 0.417000 1.0079 - 2275 SYS 759 TIP3 O1 C -0.834000 15.9994 - 2276 SYS 759 TIP3 H1 A 0.417000 1.0079 - 2277 SYS 759 TIP3 H2 A 0.417000 1.0079 - 2278 SYS 760 TIP3 O1 C -0.834000 15.9994 - 2279 SYS 760 TIP3 H1 A 0.417000 1.0079 - 2280 SYS 760 TIP3 H2 A 0.417000 1.0079 - 2281 SYS 761 TIP3 O1 C -0.834000 15.9994 - 2282 SYS 761 TIP3 H1 A 0.417000 1.0079 - 2283 SYS 761 TIP3 H2 A 0.417000 1.0079 - 2284 SYS 762 TIP3 O1 C -0.834000 15.9994 - 2285 SYS 762 TIP3 H1 A 0.417000 1.0079 - 2286 SYS 762 TIP3 H2 A 0.417000 1.0079 - 2287 SYS 763 TIP3 O1 C -0.834000 15.9994 - 2288 SYS 763 TIP3 H1 A 0.417000 1.0079 - 2289 SYS 763 TIP3 H2 A 0.417000 1.0079 - 2290 SYS 764 TIP3 O1 C -0.834000 15.9994 - 2291 SYS 764 TIP3 H1 A 0.417000 1.0079 - 2292 SYS 764 TIP3 H2 A 0.417000 1.0079 - 2293 SYS 765 TIP3 O1 C -0.834000 15.9994 - 2294 SYS 765 TIP3 H1 A 0.417000 1.0079 - 2295 SYS 765 TIP3 H2 A 0.417000 1.0079 - 2296 SYS 766 TIP3 O1 C -0.834000 15.9994 - 2297 SYS 766 TIP3 H1 A 0.417000 1.0079 - 2298 SYS 766 TIP3 H2 A 0.417000 1.0079 - 2299 SYS 767 TIP3 O1 C -0.834000 15.9994 - 2300 SYS 767 TIP3 H1 A 0.417000 1.0079 - 2301 SYS 767 TIP3 H2 A 0.417000 1.0079 - 2302 SYS 768 TIP3 O1 C -0.834000 15.9994 - 2303 SYS 768 TIP3 H1 A 0.417000 1.0079 - 2304 SYS 768 TIP3 H2 A 0.417000 1.0079 - 2305 SYS 769 TIP3 O1 C -0.834000 15.9994 - 2306 SYS 769 TIP3 H1 A 0.417000 1.0079 - 2307 SYS 769 TIP3 H2 A 0.417000 1.0079 - 2308 SYS 770 TIP3 O1 C -0.834000 15.9994 - 2309 SYS 770 TIP3 H1 A 0.417000 1.0079 - 2310 SYS 770 TIP3 H2 A 0.417000 1.0079 - 2311 SYS 771 TIP3 O1 C -0.834000 15.9994 - 2312 SYS 771 TIP3 H1 A 0.417000 1.0079 - 2313 SYS 771 TIP3 H2 A 0.417000 1.0079 - 2314 SYS 772 TIP3 O1 C -0.834000 15.9994 - 2315 SYS 772 TIP3 H1 A 0.417000 1.0079 - 2316 SYS 772 TIP3 H2 A 0.417000 1.0079 - 2317 SYS 773 TIP3 O1 C -0.834000 15.9994 - 2318 SYS 773 TIP3 H1 A 0.417000 1.0079 - 2319 SYS 773 TIP3 H2 A 0.417000 1.0079 - 2320 SYS 774 TIP3 O1 C -0.834000 15.9994 - 2321 SYS 774 TIP3 H1 A 0.417000 1.0079 - 2322 SYS 774 TIP3 H2 A 0.417000 1.0079 - 2323 SYS 775 TIP3 O1 C -0.834000 15.9994 - 2324 SYS 775 TIP3 H1 A 0.417000 1.0079 - 2325 SYS 775 TIP3 H2 A 0.417000 1.0079 - 2326 SYS 776 TIP3 O1 C -0.834000 15.9994 - 2327 SYS 776 TIP3 H1 A 0.417000 1.0079 - 2328 SYS 776 TIP3 H2 A 0.417000 1.0079 - 2329 SYS 777 TIP3 O1 C -0.834000 15.9994 - 2330 SYS 777 TIP3 H1 A 0.417000 1.0079 - 2331 SYS 777 TIP3 H2 A 0.417000 1.0079 - 2332 SYS 778 TIP3 O1 C -0.834000 15.9994 - 2333 SYS 778 TIP3 H1 A 0.417000 1.0079 - 2334 SYS 778 TIP3 H2 A 0.417000 1.0079 - 2335 SYS 779 TIP3 O1 C -0.834000 15.9994 - 2336 SYS 779 TIP3 H1 A 0.417000 1.0079 - 2337 SYS 779 TIP3 H2 A 0.417000 1.0079 - 2338 SYS 780 TIP3 O1 C -0.834000 15.9994 - 2339 SYS 780 TIP3 H1 A 0.417000 1.0079 - 2340 SYS 780 TIP3 H2 A 0.417000 1.0079 - 2341 SYS 781 TIP3 O1 C -0.834000 15.9994 - 2342 SYS 781 TIP3 H1 A 0.417000 1.0079 - 2343 SYS 781 TIP3 H2 A 0.417000 1.0079 - 2344 SYS 782 TIP3 O1 C -0.834000 15.9994 - 2345 SYS 782 TIP3 H1 A 0.417000 1.0079 - 2346 SYS 782 TIP3 H2 A 0.417000 1.0079 - 2347 SYS 783 TIP3 O1 C -0.834000 15.9994 - 2348 SYS 783 TIP3 H1 A 0.417000 1.0079 - 2349 SYS 783 TIP3 H2 A 0.417000 1.0079 - 2350 SYS 784 TIP3 O1 C -0.834000 15.9994 - 2351 SYS 784 TIP3 H1 A 0.417000 1.0079 - 2352 SYS 784 TIP3 H2 A 0.417000 1.0079 - 2353 SYS 785 TIP3 O1 C -0.834000 15.9994 - 2354 SYS 785 TIP3 H1 A 0.417000 1.0079 - 2355 SYS 785 TIP3 H2 A 0.417000 1.0079 - 2356 SYS 786 TIP3 O1 C -0.834000 15.9994 - 2357 SYS 786 TIP3 H1 A 0.417000 1.0079 - 2358 SYS 786 TIP3 H2 A 0.417000 1.0079 - 2359 SYS 787 TIP3 O1 C -0.834000 15.9994 - 2360 SYS 787 TIP3 H1 A 0.417000 1.0079 - 2361 SYS 787 TIP3 H2 A 0.417000 1.0079 - 2362 SYS 788 TIP3 O1 C -0.834000 15.9994 - 2363 SYS 788 TIP3 H1 A 0.417000 1.0079 - 2364 SYS 788 TIP3 H2 A 0.417000 1.0079 - 2365 SYS 789 TIP3 O1 C -0.834000 15.9994 - 2366 SYS 789 TIP3 H1 A 0.417000 1.0079 - 2367 SYS 789 TIP3 H2 A 0.417000 1.0079 - 2368 SYS 790 TIP3 O1 C -0.834000 15.9994 - 2369 SYS 790 TIP3 H1 A 0.417000 1.0079 - 2370 SYS 790 TIP3 H2 A 0.417000 1.0079 - 2371 SYS 791 TIP3 O1 C -0.834000 15.9994 - 2372 SYS 791 TIP3 H1 A 0.417000 1.0079 - 2373 SYS 791 TIP3 H2 A 0.417000 1.0079 - 2374 SYS 792 TIP3 O1 C -0.834000 15.9994 - 2375 SYS 792 TIP3 H1 A 0.417000 1.0079 - 2376 SYS 792 TIP3 H2 A 0.417000 1.0079 - 2377 SYS 793 TIP3 O1 C -0.834000 15.9994 - 2378 SYS 793 TIP3 H1 A 0.417000 1.0079 - 2379 SYS 793 TIP3 H2 A 0.417000 1.0079 - 2380 SYS 794 TIP3 O1 C -0.834000 15.9994 - 2381 SYS 794 TIP3 H1 A 0.417000 1.0079 - 2382 SYS 794 TIP3 H2 A 0.417000 1.0079 - 2383 SYS 795 TIP3 O1 C -0.834000 15.9994 - 2384 SYS 795 TIP3 H1 A 0.417000 1.0079 - 2385 SYS 795 TIP3 H2 A 0.417000 1.0079 - 2386 SYS 796 TIP3 O1 C -0.834000 15.9994 - 2387 SYS 796 TIP3 H1 A 0.417000 1.0079 - 2388 SYS 796 TIP3 H2 A 0.417000 1.0079 - 2389 SYS 797 TIP3 O1 C -0.834000 15.9994 - 2390 SYS 797 TIP3 H1 A 0.417000 1.0079 - 2391 SYS 797 TIP3 H2 A 0.417000 1.0079 - 2392 SYS 798 TIP3 O1 C -0.834000 15.9994 - 2393 SYS 798 TIP3 H1 A 0.417000 1.0079 - 2394 SYS 798 TIP3 H2 A 0.417000 1.0079 - 2395 SYS 799 TIP3 O1 C -0.834000 15.9994 - 2396 SYS 799 TIP3 H1 A 0.417000 1.0079 - 2397 SYS 799 TIP3 H2 A 0.417000 1.0079 - 2398 SYS 800 TIP3 O1 C -0.834000 15.9994 - 2399 SYS 800 TIP3 H1 A 0.417000 1.0079 - 2400 SYS 800 TIP3 H2 A 0.417000 1.0079 - 2401 SYS 801 TIP3 O1 C -0.834000 15.9994 - 2402 SYS 801 TIP3 H1 A 0.417000 1.0079 - 2403 SYS 801 TIP3 H2 A 0.417000 1.0079 - 2404 SYS 802 TIP3 O1 C -0.834000 15.9994 - 2405 SYS 802 TIP3 H1 A 0.417000 1.0079 - 2406 SYS 802 TIP3 H2 A 0.417000 1.0079 - 2407 SYS 803 TIP3 O1 C -0.834000 15.9994 - 2408 SYS 803 TIP3 H1 A 0.417000 1.0079 - 2409 SYS 803 TIP3 H2 A 0.417000 1.0079 - 2410 SYS 804 TIP3 O1 C -0.834000 15.9994 - 2411 SYS 804 TIP3 H1 A 0.417000 1.0079 - 2412 SYS 804 TIP3 H2 A 0.417000 1.0079 - 2413 SYS 805 TIP3 O1 C -0.834000 15.9994 - 2414 SYS 805 TIP3 H1 A 0.417000 1.0079 - 2415 SYS 805 TIP3 H2 A 0.417000 1.0079 - 2416 SYS 806 TIP3 O1 C -0.834000 15.9994 - 2417 SYS 806 TIP3 H1 A 0.417000 1.0079 - 2418 SYS 806 TIP3 H2 A 0.417000 1.0079 - 2419 SYS 807 TIP3 O1 C -0.834000 15.9994 - 2420 SYS 807 TIP3 H1 A 0.417000 1.0079 - 2421 SYS 807 TIP3 H2 A 0.417000 1.0079 - 2422 SYS 808 TIP3 O1 C -0.834000 15.9994 - 2423 SYS 808 TIP3 H1 A 0.417000 1.0079 - 2424 SYS 808 TIP3 H2 A 0.417000 1.0079 - 2425 SYS 809 TIP3 O1 C -0.834000 15.9994 - 2426 SYS 809 TIP3 H1 A 0.417000 1.0079 - 2427 SYS 809 TIP3 H2 A 0.417000 1.0079 - 2428 SYS 810 TIP3 O1 C -0.834000 15.9994 - 2429 SYS 810 TIP3 H1 A 0.417000 1.0079 - 2430 SYS 810 TIP3 H2 A 0.417000 1.0079 - 2431 SYS 811 TIP3 O1 C -0.834000 15.9994 - 2432 SYS 811 TIP3 H1 A 0.417000 1.0079 - 2433 SYS 811 TIP3 H2 A 0.417000 1.0079 - 2434 SYS 812 TIP3 O1 C -0.834000 15.9994 - 2435 SYS 812 TIP3 H1 A 0.417000 1.0079 - 2436 SYS 812 TIP3 H2 A 0.417000 1.0079 - 2437 SYS 813 TIP3 O1 C -0.834000 15.9994 - 2438 SYS 813 TIP3 H1 A 0.417000 1.0079 - 2439 SYS 813 TIP3 H2 A 0.417000 1.0079 - 2440 SYS 814 TIP3 O1 C -0.834000 15.9994 - 2441 SYS 814 TIP3 H1 A 0.417000 1.0079 - 2442 SYS 814 TIP3 H2 A 0.417000 1.0079 - 2443 SYS 815 TIP3 O1 C -0.834000 15.9994 - 2444 SYS 815 TIP3 H1 A 0.417000 1.0079 - 2445 SYS 815 TIP3 H2 A 0.417000 1.0079 - 2446 SYS 816 TIP3 O1 C -0.834000 15.9994 - 2447 SYS 816 TIP3 H1 A 0.417000 1.0079 - 2448 SYS 816 TIP3 H2 A 0.417000 1.0079 - 2449 SYS 817 TIP3 O1 C -0.834000 15.9994 - 2450 SYS 817 TIP3 H1 A 0.417000 1.0079 - 2451 SYS 817 TIP3 H2 A 0.417000 1.0079 - 2452 SYS 818 TIP3 O1 C -0.834000 15.9994 - 2453 SYS 818 TIP3 H1 A 0.417000 1.0079 - 2454 SYS 818 TIP3 H2 A 0.417000 1.0079 - 2455 SYS 819 TIP3 O1 C -0.834000 15.9994 - 2456 SYS 819 TIP3 H1 A 0.417000 1.0079 - 2457 SYS 819 TIP3 H2 A 0.417000 1.0079 - 2458 SYS 820 TIP3 O1 C -0.834000 15.9994 - 2459 SYS 820 TIP3 H1 A 0.417000 1.0079 - 2460 SYS 820 TIP3 H2 A 0.417000 1.0079 - 2461 SYS 821 TIP3 O1 C -0.834000 15.9994 - 2462 SYS 821 TIP3 H1 A 0.417000 1.0079 - 2463 SYS 821 TIP3 H2 A 0.417000 1.0079 - 2464 SYS 822 TIP3 O1 C -0.834000 15.9994 - 2465 SYS 822 TIP3 H1 A 0.417000 1.0079 - 2466 SYS 822 TIP3 H2 A 0.417000 1.0079 - 2467 SYS 823 TIP3 O1 C -0.834000 15.9994 - 2468 SYS 823 TIP3 H1 A 0.417000 1.0079 - 2469 SYS 823 TIP3 H2 A 0.417000 1.0079 - 2470 SYS 824 TIP3 O1 C -0.834000 15.9994 - 2471 SYS 824 TIP3 H1 A 0.417000 1.0079 - 2472 SYS 824 TIP3 H2 A 0.417000 1.0079 - 2473 SYS 825 TIP3 O1 C -0.834000 15.9994 - 2474 SYS 825 TIP3 H1 A 0.417000 1.0079 - 2475 SYS 825 TIP3 H2 A 0.417000 1.0079 - 2476 SYS 826 TIP3 O1 C -0.834000 15.9994 - 2477 SYS 826 TIP3 H1 A 0.417000 1.0079 - 2478 SYS 826 TIP3 H2 A 0.417000 1.0079 - 2479 SYS 827 TIP3 O1 C -0.834000 15.9994 - 2480 SYS 827 TIP3 H1 A 0.417000 1.0079 - 2481 SYS 827 TIP3 H2 A 0.417000 1.0079 - 2482 SYS 828 TIP3 O1 C -0.834000 15.9994 - 2483 SYS 828 TIP3 H1 A 0.417000 1.0079 - 2484 SYS 828 TIP3 H2 A 0.417000 1.0079 - 2485 SYS 829 TIP3 O1 C -0.834000 15.9994 - 2486 SYS 829 TIP3 H1 A 0.417000 1.0079 - 2487 SYS 829 TIP3 H2 A 0.417000 1.0079 - 2488 SYS 830 TIP3 O1 C -0.834000 15.9994 - 2489 SYS 830 TIP3 H1 A 0.417000 1.0079 - 2490 SYS 830 TIP3 H2 A 0.417000 1.0079 - 2491 SYS 831 TIP3 O1 C -0.834000 15.9994 - 2492 SYS 831 TIP3 H1 A 0.417000 1.0079 - 2493 SYS 831 TIP3 H2 A 0.417000 1.0079 - 2494 SYS 832 TIP3 O1 C -0.834000 15.9994 - 2495 SYS 832 TIP3 H1 A 0.417000 1.0079 - 2496 SYS 832 TIP3 H2 A 0.417000 1.0079 - 2497 SYS 833 TIP3 O1 C -0.834000 15.9994 - 2498 SYS 833 TIP3 H1 A 0.417000 1.0079 - 2499 SYS 833 TIP3 H2 A 0.417000 1.0079 - 2500 SYS 834 TIP3 O1 C -0.834000 15.9994 - 2501 SYS 834 TIP3 H1 A 0.417000 1.0079 - 2502 SYS 834 TIP3 H2 A 0.417000 1.0079 - 2503 SYS 835 TIP3 O1 C -0.834000 15.9994 - 2504 SYS 835 TIP3 H1 A 0.417000 1.0079 - 2505 SYS 835 TIP3 H2 A 0.417000 1.0079 - 2506 SYS 836 TIP3 O1 C -0.834000 15.9994 - 2507 SYS 836 TIP3 H1 A 0.417000 1.0079 - 2508 SYS 836 TIP3 H2 A 0.417000 1.0079 - 2509 SYS 837 TIP3 O1 C -0.834000 15.9994 - 2510 SYS 837 TIP3 H1 A 0.417000 1.0079 - 2511 SYS 837 TIP3 H2 A 0.417000 1.0079 - 2512 SYS 838 TIP3 O1 C -0.834000 15.9994 - 2513 SYS 838 TIP3 H1 A 0.417000 1.0079 - 2514 SYS 838 TIP3 H2 A 0.417000 1.0079 - 2515 SYS 839 TIP3 O1 C -0.834000 15.9994 - 2516 SYS 839 TIP3 H1 A 0.417000 1.0079 - 2517 SYS 839 TIP3 H2 A 0.417000 1.0079 - 2518 SYS 840 TIP3 O1 C -0.834000 15.9994 - 2519 SYS 840 TIP3 H1 A 0.417000 1.0079 - 2520 SYS 840 TIP3 H2 A 0.417000 1.0079 - 2521 SYS 841 TIP3 O1 C -0.834000 15.9994 - 2522 SYS 841 TIP3 H1 A 0.417000 1.0079 - 2523 SYS 841 TIP3 H2 A 0.417000 1.0079 - 2524 SYS 842 TIP3 O1 C -0.834000 15.9994 - 2525 SYS 842 TIP3 H1 A 0.417000 1.0079 - 2526 SYS 842 TIP3 H2 A 0.417000 1.0079 - 2527 SYS 843 TIP3 O1 C -0.834000 15.9994 - 2528 SYS 843 TIP3 H1 A 0.417000 1.0079 - 2529 SYS 843 TIP3 H2 A 0.417000 1.0079 - 2530 SYS 844 TIP3 O1 C -0.834000 15.9994 - 2531 SYS 844 TIP3 H1 A 0.417000 1.0079 - 2532 SYS 844 TIP3 H2 A 0.417000 1.0079 - 2533 SYS 845 TIP3 O1 C -0.834000 15.9994 - 2534 SYS 845 TIP3 H1 A 0.417000 1.0079 - 2535 SYS 845 TIP3 H2 A 0.417000 1.0079 - 2536 SYS 846 TIP3 O1 C -0.834000 15.9994 - 2537 SYS 846 TIP3 H1 A 0.417000 1.0079 - 2538 SYS 846 TIP3 H2 A 0.417000 1.0079 - 2539 SYS 847 TIP3 O1 C -0.834000 15.9994 - 2540 SYS 847 TIP3 H1 A 0.417000 1.0079 - 2541 SYS 847 TIP3 H2 A 0.417000 1.0079 - 2542 SYS 848 TIP3 O1 C -0.834000 15.9994 - 2543 SYS 848 TIP3 H1 A 0.417000 1.0079 - 2544 SYS 848 TIP3 H2 A 0.417000 1.0079 - 2545 SYS 849 TIP3 O1 C -0.834000 15.9994 - 2546 SYS 849 TIP3 H1 A 0.417000 1.0079 - 2547 SYS 849 TIP3 H2 A 0.417000 1.0079 - 2548 SYS 850 TIP3 O1 C -0.834000 15.9994 - 2549 SYS 850 TIP3 H1 A 0.417000 1.0079 - 2550 SYS 850 TIP3 H2 A 0.417000 1.0079 - 2551 SYS 851 TIP3 O1 C -0.834000 15.9994 - 2552 SYS 851 TIP3 H1 A 0.417000 1.0079 - 2553 SYS 851 TIP3 H2 A 0.417000 1.0079 - 2554 SYS 852 TIP3 O1 C -0.834000 15.9994 - 2555 SYS 852 TIP3 H1 A 0.417000 1.0079 - 2556 SYS 852 TIP3 H2 A 0.417000 1.0079 - 2557 SYS 853 TIP3 O1 C -0.834000 15.9994 - 2558 SYS 853 TIP3 H1 A 0.417000 1.0079 - 2559 SYS 853 TIP3 H2 A 0.417000 1.0079 - 2560 SYS 854 TIP3 O1 C -0.834000 15.9994 - 2561 SYS 854 TIP3 H1 A 0.417000 1.0079 - 2562 SYS 854 TIP3 H2 A 0.417000 1.0079 - 2563 SYS 855 TIP3 O1 C -0.834000 15.9994 - 2564 SYS 855 TIP3 H1 A 0.417000 1.0079 - 2565 SYS 855 TIP3 H2 A 0.417000 1.0079 - 2566 SYS 856 TIP3 O1 C -0.834000 15.9994 - 2567 SYS 856 TIP3 H1 A 0.417000 1.0079 - 2568 SYS 856 TIP3 H2 A 0.417000 1.0079 - 2569 SYS 857 TIP3 O1 C -0.834000 15.9994 - 2570 SYS 857 TIP3 H1 A 0.417000 1.0079 - 2571 SYS 857 TIP3 H2 A 0.417000 1.0079 - 2572 SYS 858 TIP3 O1 C -0.834000 15.9994 - 2573 SYS 858 TIP3 H1 A 0.417000 1.0079 - 2574 SYS 858 TIP3 H2 A 0.417000 1.0079 - 2575 SYS 859 TIP3 O1 C -0.834000 15.9994 - 2576 SYS 859 TIP3 H1 A 0.417000 1.0079 - 2577 SYS 859 TIP3 H2 A 0.417000 1.0079 - 2578 SYS 860 TIP3 O1 C -0.834000 15.9994 - 2579 SYS 860 TIP3 H1 A 0.417000 1.0079 - 2580 SYS 860 TIP3 H2 A 0.417000 1.0079 - 2581 SYS 861 TIP3 O1 C -0.834000 15.9994 - 2582 SYS 861 TIP3 H1 A 0.417000 1.0079 - 2583 SYS 861 TIP3 H2 A 0.417000 1.0079 - 2584 SYS 862 TIP3 O1 C -0.834000 15.9994 - 2585 SYS 862 TIP3 H1 A 0.417000 1.0079 - 2586 SYS 862 TIP3 H2 A 0.417000 1.0079 - 2587 SYS 863 TIP3 O1 C -0.834000 15.9994 - 2588 SYS 863 TIP3 H1 A 0.417000 1.0079 - 2589 SYS 863 TIP3 H2 A 0.417000 1.0079 - 2590 SYS 864 TIP3 O1 C -0.834000 15.9994 - 2591 SYS 864 TIP3 H1 A 0.417000 1.0079 - 2592 SYS 864 TIP3 H2 A 0.417000 1.0079 - 2593 SYS 865 TIP3 O1 C -0.834000 15.9994 - 2594 SYS 865 TIP3 H1 A 0.417000 1.0079 - 2595 SYS 865 TIP3 H2 A 0.417000 1.0079 - 2596 SYS 866 TIP3 O1 C -0.834000 15.9994 - 2597 SYS 866 TIP3 H1 A 0.417000 1.0079 - 2598 SYS 866 TIP3 H2 A 0.417000 1.0079 - 2599 SYS 867 TIP3 O1 C -0.834000 15.9994 - 2600 SYS 867 TIP3 H1 A 0.417000 1.0079 - 2601 SYS 867 TIP3 H2 A 0.417000 1.0079 - 2602 SYS 868 TIP3 O1 C -0.834000 15.9994 - 2603 SYS 868 TIP3 H1 A 0.417000 1.0079 - 2604 SYS 868 TIP3 H2 A 0.417000 1.0079 - 2605 SYS 869 TIP3 O1 C -0.834000 15.9994 - 2606 SYS 869 TIP3 H1 A 0.417000 1.0079 - 2607 SYS 869 TIP3 H2 A 0.417000 1.0079 - 2608 SYS 870 TIP3 O1 C -0.834000 15.9994 - 2609 SYS 870 TIP3 H1 A 0.417000 1.0079 - 2610 SYS 870 TIP3 H2 A 0.417000 1.0079 - 2611 SYS 871 TIP3 O1 C -0.834000 15.9994 - 2612 SYS 871 TIP3 H1 A 0.417000 1.0079 - 2613 SYS 871 TIP3 H2 A 0.417000 1.0079 - 2614 SYS 872 TIP3 O1 C -0.834000 15.9994 - 2615 SYS 872 TIP3 H1 A 0.417000 1.0079 - 2616 SYS 872 TIP3 H2 A 0.417000 1.0079 - 2617 SYS 873 TIP3 O1 C -0.834000 15.9994 - 2618 SYS 873 TIP3 H1 A 0.417000 1.0079 - 2619 SYS 873 TIP3 H2 A 0.417000 1.0079 - 2620 SYS 874 TIP3 O1 C -0.834000 15.9994 - 2621 SYS 874 TIP3 H1 A 0.417000 1.0079 - 2622 SYS 874 TIP3 H2 A 0.417000 1.0079 - 2623 SYS 875 TIP3 O1 C -0.834000 15.9994 - 2624 SYS 875 TIP3 H1 A 0.417000 1.0079 - 2625 SYS 875 TIP3 H2 A 0.417000 1.0079 - 2626 SYS 876 TIP3 O1 C -0.834000 15.9994 - 2627 SYS 876 TIP3 H1 A 0.417000 1.0079 - 2628 SYS 876 TIP3 H2 A 0.417000 1.0079 - 2629 SYS 877 TIP3 O1 C -0.834000 15.9994 - 2630 SYS 877 TIP3 H1 A 0.417000 1.0079 - 2631 SYS 877 TIP3 H2 A 0.417000 1.0079 - 2632 SYS 878 TIP3 O1 C -0.834000 15.9994 - 2633 SYS 878 TIP3 H1 A 0.417000 1.0079 - 2634 SYS 878 TIP3 H2 A 0.417000 1.0079 - 2635 SYS 879 TIP3 O1 C -0.834000 15.9994 - 2636 SYS 879 TIP3 H1 A 0.417000 1.0079 - 2637 SYS 879 TIP3 H2 A 0.417000 1.0079 - 2638 SYS 880 TIP3 O1 C -0.834000 15.9994 - 2639 SYS 880 TIP3 H1 A 0.417000 1.0079 - 2640 SYS 880 TIP3 H2 A 0.417000 1.0079 - 2641 SYS 881 TIP3 O1 C -0.834000 15.9994 - 2642 SYS 881 TIP3 H1 A 0.417000 1.0079 - 2643 SYS 881 TIP3 H2 A 0.417000 1.0079 - 2644 SYS 882 TIP3 O1 C -0.834000 15.9994 - 2645 SYS 882 TIP3 H1 A 0.417000 1.0079 - 2646 SYS 882 TIP3 H2 A 0.417000 1.0079 - 2647 SYS 883 TIP3 O1 C -0.834000 15.9994 - 2648 SYS 883 TIP3 H1 A 0.417000 1.0079 - 2649 SYS 883 TIP3 H2 A 0.417000 1.0079 - 2650 SYS 884 TIP3 O1 C -0.834000 15.9994 - 2651 SYS 884 TIP3 H1 A 0.417000 1.0079 - 2652 SYS 884 TIP3 H2 A 0.417000 1.0079 - 2653 SYS 885 TIP3 O1 C -0.834000 15.9994 - 2654 SYS 885 TIP3 H1 A 0.417000 1.0079 - 2655 SYS 885 TIP3 H2 A 0.417000 1.0079 - 2656 SYS 886 TIP3 O1 C -0.834000 15.9994 - 2657 SYS 886 TIP3 H1 A 0.417000 1.0079 - 2658 SYS 886 TIP3 H2 A 0.417000 1.0079 - 2659 SYS 887 TIP3 O1 C -0.834000 15.9994 - 2660 SYS 887 TIP3 H1 A 0.417000 1.0079 - 2661 SYS 887 TIP3 H2 A 0.417000 1.0079 - 2662 SYS 888 TIP3 O1 C -0.834000 15.9994 - 2663 SYS 888 TIP3 H1 A 0.417000 1.0079 - 2664 SYS 888 TIP3 H2 A 0.417000 1.0079 - 2665 SYS 889 TIP3 O1 C -0.834000 15.9994 - 2666 SYS 889 TIP3 H1 A 0.417000 1.0079 - 2667 SYS 889 TIP3 H2 A 0.417000 1.0079 - 2668 SYS 890 TIP3 O1 C -0.834000 15.9994 - 2669 SYS 890 TIP3 H1 A 0.417000 1.0079 - 2670 SYS 890 TIP3 H2 A 0.417000 1.0079 - 2671 SYS 891 TIP3 O1 C -0.834000 15.9994 - 2672 SYS 891 TIP3 H1 A 0.417000 1.0079 - 2673 SYS 891 TIP3 H2 A 0.417000 1.0079 - 2674 SYS 892 TIP3 O1 C -0.834000 15.9994 - 2675 SYS 892 TIP3 H1 A 0.417000 1.0079 - 2676 SYS 892 TIP3 H2 A 0.417000 1.0079 - 2677 SYS 893 TIP3 O1 C -0.834000 15.9994 - 2678 SYS 893 TIP3 H1 A 0.417000 1.0079 - 2679 SYS 893 TIP3 H2 A 0.417000 1.0079 - 2680 SYS 894 TIP3 O1 C -0.834000 15.9994 - 2681 SYS 894 TIP3 H1 A 0.417000 1.0079 - 2682 SYS 894 TIP3 H2 A 0.417000 1.0079 - 2683 SYS 895 TIP3 O1 C -0.834000 15.9994 - 2684 SYS 895 TIP3 H1 A 0.417000 1.0079 - 2685 SYS 895 TIP3 H2 A 0.417000 1.0079 - 2686 SYS 896 TIP3 O1 C -0.834000 15.9994 - 2687 SYS 896 TIP3 H1 A 0.417000 1.0079 - 2688 SYS 896 TIP3 H2 A 0.417000 1.0079 - 2689 SYS 897 TIP3 O1 C -0.834000 15.9994 - 2690 SYS 897 TIP3 H1 A 0.417000 1.0079 - 2691 SYS 897 TIP3 H2 A 0.417000 1.0079 - 2692 SYS 898 TIP3 O1 C -0.834000 15.9994 - 2693 SYS 898 TIP3 H1 A 0.417000 1.0079 - 2694 SYS 898 TIP3 H2 A 0.417000 1.0079 - 2695 SYS 899 TIP3 O1 C -0.834000 15.9994 - 2696 SYS 899 TIP3 H1 A 0.417000 1.0079 - 2697 SYS 899 TIP3 H2 A 0.417000 1.0079 - 2698 SYS 900 TIP3 O1 C -0.834000 15.9994 - 2699 SYS 900 TIP3 H1 A 0.417000 1.0079 - 2700 SYS 900 TIP3 H2 A 0.417000 1.0079 - 2701 SYS 901 TIP3 O1 C -0.834000 15.9994 - 2702 SYS 901 TIP3 H1 A 0.417000 1.0079 - 2703 SYS 901 TIP3 H2 A 0.417000 1.0079 - 2704 SYS 902 TIP3 O1 C -0.834000 15.9994 - 2705 SYS 902 TIP3 H1 A 0.417000 1.0079 - 2706 SYS 902 TIP3 H2 A 0.417000 1.0079 - 2707 SYS 903 TIP3 O1 C -0.834000 15.9994 - 2708 SYS 903 TIP3 H1 A 0.417000 1.0079 - 2709 SYS 903 TIP3 H2 A 0.417000 1.0079 - 2710 SYS 904 TIP3 O1 C -0.834000 15.9994 - 2711 SYS 904 TIP3 H1 A 0.417000 1.0079 - 2712 SYS 904 TIP3 H2 A 0.417000 1.0079 - 2713 SYS 905 TIP3 O1 C -0.834000 15.9994 - 2714 SYS 905 TIP3 H1 A 0.417000 1.0079 - 2715 SYS 905 TIP3 H2 A 0.417000 1.0079 - 2716 SYS 906 TIP3 O1 C -0.834000 15.9994 - 2717 SYS 906 TIP3 H1 A 0.417000 1.0079 - 2718 SYS 906 TIP3 H2 A 0.417000 1.0079 - 2719 SYS 907 TIP3 O1 C -0.834000 15.9994 - 2720 SYS 907 TIP3 H1 A 0.417000 1.0079 - 2721 SYS 907 TIP3 H2 A 0.417000 1.0079 - 2722 SYS 908 TIP3 O1 C -0.834000 15.9994 - 2723 SYS 908 TIP3 H1 A 0.417000 1.0079 - 2724 SYS 908 TIP3 H2 A 0.417000 1.0079 - 2725 SYS 909 TIP3 O1 C -0.834000 15.9994 - 2726 SYS 909 TIP3 H1 A 0.417000 1.0079 - 2727 SYS 909 TIP3 H2 A 0.417000 1.0079 - 2728 SYS 910 TIP3 O1 C -0.834000 15.9994 - 2729 SYS 910 TIP3 H1 A 0.417000 1.0079 - 2730 SYS 910 TIP3 H2 A 0.417000 1.0079 - 2731 SYS 911 TIP3 O1 C -0.834000 15.9994 - 2732 SYS 911 TIP3 H1 A 0.417000 1.0079 - 2733 SYS 911 TIP3 H2 A 0.417000 1.0079 - 2734 SYS 912 TIP3 O1 C -0.834000 15.9994 - 2735 SYS 912 TIP3 H1 A 0.417000 1.0079 - 2736 SYS 912 TIP3 H2 A 0.417000 1.0079 - 2737 SYS 913 TIP3 O1 C -0.834000 15.9994 - 2738 SYS 913 TIP3 H1 A 0.417000 1.0079 - 2739 SYS 913 TIP3 H2 A 0.417000 1.0079 - 2740 SYS 914 TIP3 O1 C -0.834000 15.9994 - 2741 SYS 914 TIP3 H1 A 0.417000 1.0079 - 2742 SYS 914 TIP3 H2 A 0.417000 1.0079 - 2743 SYS 915 TIP3 O1 C -0.834000 15.9994 - 2744 SYS 915 TIP3 H1 A 0.417000 1.0079 - 2745 SYS 915 TIP3 H2 A 0.417000 1.0079 - 2746 SYS 916 TIP3 O1 C -0.834000 15.9994 - 2747 SYS 916 TIP3 H1 A 0.417000 1.0079 - 2748 SYS 916 TIP3 H2 A 0.417000 1.0079 - 2749 SYS 917 TIP3 O1 C -0.834000 15.9994 - 2750 SYS 917 TIP3 H1 A 0.417000 1.0079 - 2751 SYS 917 TIP3 H2 A 0.417000 1.0079 - 2752 SYS 918 TIP3 O1 C -0.834000 15.9994 - 2753 SYS 918 TIP3 H1 A 0.417000 1.0079 - 2754 SYS 918 TIP3 H2 A 0.417000 1.0079 - 2755 SYS 919 TIP3 O1 C -0.834000 15.9994 - 2756 SYS 919 TIP3 H1 A 0.417000 1.0079 - 2757 SYS 919 TIP3 H2 A 0.417000 1.0079 - 2758 SYS 920 TIP3 O1 C -0.834000 15.9994 - 2759 SYS 920 TIP3 H1 A 0.417000 1.0079 - 2760 SYS 920 TIP3 H2 A 0.417000 1.0079 - 2761 SYS 921 TIP3 O1 C -0.834000 15.9994 - 2762 SYS 921 TIP3 H1 A 0.417000 1.0079 - 2763 SYS 921 TIP3 H2 A 0.417000 1.0079 - 2764 SYS 922 TIP3 O1 C -0.834000 15.9994 - 2765 SYS 922 TIP3 H1 A 0.417000 1.0079 - 2766 SYS 922 TIP3 H2 A 0.417000 1.0079 - 2767 SYS 923 TIP3 O1 C -0.834000 15.9994 - 2768 SYS 923 TIP3 H1 A 0.417000 1.0079 - 2769 SYS 923 TIP3 H2 A 0.417000 1.0079 - 2770 SYS 924 TIP3 O1 C -0.834000 15.9994 - 2771 SYS 924 TIP3 H1 A 0.417000 1.0079 - 2772 SYS 924 TIP3 H2 A 0.417000 1.0079 - 2773 SYS 925 TIP3 O1 C -0.834000 15.9994 - 2774 SYS 925 TIP3 H1 A 0.417000 1.0079 - 2775 SYS 925 TIP3 H2 A 0.417000 1.0079 - 2776 SYS 926 TIP3 O1 C -0.834000 15.9994 - 2777 SYS 926 TIP3 H1 A 0.417000 1.0079 - 2778 SYS 926 TIP3 H2 A 0.417000 1.0079 - 2779 SYS 927 TIP3 O1 C -0.834000 15.9994 - 2780 SYS 927 TIP3 H1 A 0.417000 1.0079 - 2781 SYS 927 TIP3 H2 A 0.417000 1.0079 - 2782 SYS 928 TIP3 O1 C -0.834000 15.9994 - 2783 SYS 928 TIP3 H1 A 0.417000 1.0079 - 2784 SYS 928 TIP3 H2 A 0.417000 1.0079 - 2785 SYS 929 TIP3 O1 C -0.834000 15.9994 - 2786 SYS 929 TIP3 H1 A 0.417000 1.0079 - 2787 SYS 929 TIP3 H2 A 0.417000 1.0079 - 2788 SYS 930 TIP3 O1 C -0.834000 15.9994 - 2789 SYS 930 TIP3 H1 A 0.417000 1.0079 - 2790 SYS 930 TIP3 H2 A 0.417000 1.0079 - 2791 SYS 931 TIP3 O1 C -0.834000 15.9994 - 2792 SYS 931 TIP3 H1 A 0.417000 1.0079 - 2793 SYS 931 TIP3 H2 A 0.417000 1.0079 - 2794 SYS 932 TIP3 O1 C -0.834000 15.9994 - 2795 SYS 932 TIP3 H1 A 0.417000 1.0079 - 2796 SYS 932 TIP3 H2 A 0.417000 1.0079 - 2797 SYS 933 TIP3 O1 C -0.834000 15.9994 - 2798 SYS 933 TIP3 H1 A 0.417000 1.0079 - 2799 SYS 933 TIP3 H2 A 0.417000 1.0079 - 2800 SYS 934 TIP3 O1 C -0.834000 15.9994 - 2801 SYS 934 TIP3 H1 A 0.417000 1.0079 - 2802 SYS 934 TIP3 H2 A 0.417000 1.0079 - 2803 SYS 935 TIP3 O1 C -0.834000 15.9994 - 2804 SYS 935 TIP3 H1 A 0.417000 1.0079 - 2805 SYS 935 TIP3 H2 A 0.417000 1.0079 - 2806 SYS 936 TIP3 O1 C -0.834000 15.9994 - 2807 SYS 936 TIP3 H1 A 0.417000 1.0079 - 2808 SYS 936 TIP3 H2 A 0.417000 1.0079 - 2809 SYS 937 TIP3 O1 C -0.834000 15.9994 - 2810 SYS 937 TIP3 H1 A 0.417000 1.0079 - 2811 SYS 937 TIP3 H2 A 0.417000 1.0079 - 2812 SYS 938 TIP3 O1 C -0.834000 15.9994 - 2813 SYS 938 TIP3 H1 A 0.417000 1.0079 - 2814 SYS 938 TIP3 H2 A 0.417000 1.0079 - 2815 SYS 939 TIP3 O1 C -0.834000 15.9994 - 2816 SYS 939 TIP3 H1 A 0.417000 1.0079 - 2817 SYS 939 TIP3 H2 A 0.417000 1.0079 - 2818 SYS 940 TIP3 O1 C -0.834000 15.9994 - 2819 SYS 940 TIP3 H1 A 0.417000 1.0079 - 2820 SYS 940 TIP3 H2 A 0.417000 1.0079 - 2821 SYS 941 TIP3 O1 C -0.834000 15.9994 - 2822 SYS 941 TIP3 H1 A 0.417000 1.0079 - 2823 SYS 941 TIP3 H2 A 0.417000 1.0079 - 2824 SYS 942 TIP3 O1 C -0.834000 15.9994 - 2825 SYS 942 TIP3 H1 A 0.417000 1.0079 - 2826 SYS 942 TIP3 H2 A 0.417000 1.0079 - 2827 SYS 943 TIP3 O1 C -0.834000 15.9994 - 2828 SYS 943 TIP3 H1 A 0.417000 1.0079 - 2829 SYS 943 TIP3 H2 A 0.417000 1.0079 - 2830 SYS 944 TIP3 O1 C -0.834000 15.9994 - 2831 SYS 944 TIP3 H1 A 0.417000 1.0079 - 2832 SYS 944 TIP3 H2 A 0.417000 1.0079 - 2833 SYS 945 TIP3 O1 C -0.834000 15.9994 - 2834 SYS 945 TIP3 H1 A 0.417000 1.0079 - 2835 SYS 945 TIP3 H2 A 0.417000 1.0079 - 2836 SYS 946 TIP3 O1 C -0.834000 15.9994 - 2837 SYS 946 TIP3 H1 A 0.417000 1.0079 - 2838 SYS 946 TIP3 H2 A 0.417000 1.0079 - 2839 SYS 947 TIP3 O1 C -0.834000 15.9994 - 2840 SYS 947 TIP3 H1 A 0.417000 1.0079 - 2841 SYS 947 TIP3 H2 A 0.417000 1.0079 - 2842 SYS 948 TIP3 O1 C -0.834000 15.9994 - 2843 SYS 948 TIP3 H1 A 0.417000 1.0079 - 2844 SYS 948 TIP3 H2 A 0.417000 1.0079 - 2845 SYS 949 TIP3 O1 C -0.834000 15.9994 - 2846 SYS 949 TIP3 H1 A 0.417000 1.0079 - 2847 SYS 949 TIP3 H2 A 0.417000 1.0079 - 2848 SYS 950 TIP3 O1 C -0.834000 15.9994 - 2849 SYS 950 TIP3 H1 A 0.417000 1.0079 - 2850 SYS 950 TIP3 H2 A 0.417000 1.0079 - 2851 SYS 951 TIP3 O1 C -0.834000 15.9994 - 2852 SYS 951 TIP3 H1 A 0.417000 1.0079 - 2853 SYS 951 TIP3 H2 A 0.417000 1.0079 - 2854 SYS 952 TIP3 O1 C -0.834000 15.9994 - 2855 SYS 952 TIP3 H1 A 0.417000 1.0079 - 2856 SYS 952 TIP3 H2 A 0.417000 1.0079 - 2857 SYS 953 TIP3 O1 C -0.834000 15.9994 - 2858 SYS 953 TIP3 H1 A 0.417000 1.0079 - 2859 SYS 953 TIP3 H2 A 0.417000 1.0079 - 2860 SYS 954 TIP3 O1 C -0.834000 15.9994 - 2861 SYS 954 TIP3 H1 A 0.417000 1.0079 - 2862 SYS 954 TIP3 H2 A 0.417000 1.0079 - 2863 SYS 955 TIP3 O1 C -0.834000 15.9994 - 2864 SYS 955 TIP3 H1 A 0.417000 1.0079 - 2865 SYS 955 TIP3 H2 A 0.417000 1.0079 - 2866 SYS 956 TIP3 O1 C -0.834000 15.9994 - 2867 SYS 956 TIP3 H1 A 0.417000 1.0079 - 2868 SYS 956 TIP3 H2 A 0.417000 1.0079 - 2869 SYS 957 TIP3 O1 C -0.834000 15.9994 - 2870 SYS 957 TIP3 H1 A 0.417000 1.0079 - 2871 SYS 957 TIP3 H2 A 0.417000 1.0079 - 2872 SYS 958 TIP3 O1 C -0.834000 15.9994 - 2873 SYS 958 TIP3 H1 A 0.417000 1.0079 - 2874 SYS 958 TIP3 H2 A 0.417000 1.0079 - 2875 SYS 959 TIP3 O1 C -0.834000 15.9994 - 2876 SYS 959 TIP3 H1 A 0.417000 1.0079 - 2877 SYS 959 TIP3 H2 A 0.417000 1.0079 - 2878 SYS 960 TIP3 O1 C -0.834000 15.9994 - 2879 SYS 960 TIP3 H1 A 0.417000 1.0079 - 2880 SYS 960 TIP3 H2 A 0.417000 1.0079 - 2881 SYS 961 TIP3 O1 C -0.834000 15.9994 - 2882 SYS 961 TIP3 H1 A 0.417000 1.0079 - 2883 SYS 961 TIP3 H2 A 0.417000 1.0079 - 2884 SYS 962 TIP3 O1 C -0.834000 15.9994 - 2885 SYS 962 TIP3 H1 A 0.417000 1.0079 - 2886 SYS 962 TIP3 H2 A 0.417000 1.0079 - 2887 SYS 963 TIP3 O1 C -0.834000 15.9994 - 2888 SYS 963 TIP3 H1 A 0.417000 1.0079 - 2889 SYS 963 TIP3 H2 A 0.417000 1.0079 - 2890 SYS 964 TIP3 O1 C -0.834000 15.9994 - 2891 SYS 964 TIP3 H1 A 0.417000 1.0079 - 2892 SYS 964 TIP3 H2 A 0.417000 1.0079 - 2893 SYS 965 TIP3 O1 C -0.834000 15.9994 - 2894 SYS 965 TIP3 H1 A 0.417000 1.0079 - 2895 SYS 965 TIP3 H2 A 0.417000 1.0079 - 2896 SYS 966 TIP3 O1 C -0.834000 15.9994 - 2897 SYS 966 TIP3 H1 A 0.417000 1.0079 - 2898 SYS 966 TIP3 H2 A 0.417000 1.0079 - 2899 SYS 967 TIP3 O1 C -0.834000 15.9994 - 2900 SYS 967 TIP3 H1 A 0.417000 1.0079 - 2901 SYS 967 TIP3 H2 A 0.417000 1.0079 - 2902 SYS 968 TIP3 O1 C -0.834000 15.9994 - 2903 SYS 968 TIP3 H1 A 0.417000 1.0079 - 2904 SYS 968 TIP3 H2 A 0.417000 1.0079 - 2905 SYS 969 TIP3 O1 C -0.834000 15.9994 - 2906 SYS 969 TIP3 H1 A 0.417000 1.0079 - 2907 SYS 969 TIP3 H2 A 0.417000 1.0079 - 2908 SYS 970 TIP3 O1 C -0.834000 15.9994 - 2909 SYS 970 TIP3 H1 A 0.417000 1.0079 - 2910 SYS 970 TIP3 H2 A 0.417000 1.0079 - 2911 SYS 971 TIP3 O1 C -0.834000 15.9994 - 2912 SYS 971 TIP3 H1 A 0.417000 1.0079 - 2913 SYS 971 TIP3 H2 A 0.417000 1.0079 - 2914 SYS 972 TIP3 O1 C -0.834000 15.9994 - 2915 SYS 972 TIP3 H1 A 0.417000 1.0079 - 2916 SYS 972 TIP3 H2 A 0.417000 1.0079 - 2917 SYS 973 TIP3 O1 C -0.834000 15.9994 - 2918 SYS 973 TIP3 H1 A 0.417000 1.0079 - 2919 SYS 973 TIP3 H2 A 0.417000 1.0079 - 2920 SYS 974 TIP3 O1 C -0.834000 15.9994 - 2921 SYS 974 TIP3 H1 A 0.417000 1.0079 - 2922 SYS 974 TIP3 H2 A 0.417000 1.0079 - 2923 SYS 975 TIP3 O1 C -0.834000 15.9994 - 2924 SYS 975 TIP3 H1 A 0.417000 1.0079 - 2925 SYS 975 TIP3 H2 A 0.417000 1.0079 - 2926 SYS 976 TIP3 O1 C -0.834000 15.9994 - 2927 SYS 976 TIP3 H1 A 0.417000 1.0079 - 2928 SYS 976 TIP3 H2 A 0.417000 1.0079 - 2929 SYS 977 TIP3 O1 C -0.834000 15.9994 - 2930 SYS 977 TIP3 H1 A 0.417000 1.0079 - 2931 SYS 977 TIP3 H2 A 0.417000 1.0079 - 2932 SYS 978 TIP3 O1 C -0.834000 15.9994 - 2933 SYS 978 TIP3 H1 A 0.417000 1.0079 - 2934 SYS 978 TIP3 H2 A 0.417000 1.0079 - 2935 SYS 979 TIP3 O1 C -0.834000 15.9994 - 2936 SYS 979 TIP3 H1 A 0.417000 1.0079 - 2937 SYS 979 TIP3 H2 A 0.417000 1.0079 - 2938 SYS 980 TIP3 O1 C -0.834000 15.9994 - 2939 SYS 980 TIP3 H1 A 0.417000 1.0079 - 2940 SYS 980 TIP3 H2 A 0.417000 1.0079 - 2941 SYS 981 TIP3 O1 C -0.834000 15.9994 - 2942 SYS 981 TIP3 H1 A 0.417000 1.0079 - 2943 SYS 981 TIP3 H2 A 0.417000 1.0079 - 2944 SYS 982 TIP3 O1 C -0.834000 15.9994 - 2945 SYS 982 TIP3 H1 A 0.417000 1.0079 - 2946 SYS 982 TIP3 H2 A 0.417000 1.0079 - 2947 SYS 983 TIP3 O1 C -0.834000 15.9994 - 2948 SYS 983 TIP3 H1 A 0.417000 1.0079 - 2949 SYS 983 TIP3 H2 A 0.417000 1.0079 - 2950 SYS 984 TIP3 O1 C -0.834000 15.9994 - 2951 SYS 984 TIP3 H1 A 0.417000 1.0079 - 2952 SYS 984 TIP3 H2 A 0.417000 1.0079 - 2953 SYS 985 TIP3 O1 C -0.834000 15.9994 - 2954 SYS 985 TIP3 H1 A 0.417000 1.0079 - 2955 SYS 985 TIP3 H2 A 0.417000 1.0079 - 2956 SYS 986 TIP3 O1 C -0.834000 15.9994 - 2957 SYS 986 TIP3 H1 A 0.417000 1.0079 - 2958 SYS 986 TIP3 H2 A 0.417000 1.0079 - 2959 SYS 987 TIP3 O1 C -0.834000 15.9994 - 2960 SYS 987 TIP3 H1 A 0.417000 1.0079 - 2961 SYS 987 TIP3 H2 A 0.417000 1.0079 - 2962 SYS 988 TIP3 O1 C -0.834000 15.9994 - 2963 SYS 988 TIP3 H1 A 0.417000 1.0079 - 2964 SYS 988 TIP3 H2 A 0.417000 1.0079 - 2965 SYS 989 TIP3 O1 C -0.834000 15.9994 - 2966 SYS 989 TIP3 H1 A 0.417000 1.0079 - 2967 SYS 989 TIP3 H2 A 0.417000 1.0079 - 2968 SYS 990 TIP3 O1 C -0.834000 15.9994 - 2969 SYS 990 TIP3 H1 A 0.417000 1.0079 - 2970 SYS 990 TIP3 H2 A 0.417000 1.0079 - 2971 SYS 991 TIP3 O1 C -0.834000 15.9994 - 2972 SYS 991 TIP3 H1 A 0.417000 1.0079 - 2973 SYS 991 TIP3 H2 A 0.417000 1.0079 - 2974 SYS 992 TIP3 O1 C -0.834000 15.9994 - 2975 SYS 992 TIP3 H1 A 0.417000 1.0079 - 2976 SYS 992 TIP3 H2 A 0.417000 1.0079 - 2977 SYS 993 TIP3 O1 C -0.834000 15.9994 - 2978 SYS 993 TIP3 H1 A 0.417000 1.0079 - 2979 SYS 993 TIP3 H2 A 0.417000 1.0079 - 2980 SYS 994 TIP3 O1 C -0.834000 15.9994 - 2981 SYS 994 TIP3 H1 A 0.417000 1.0079 - 2982 SYS 994 TIP3 H2 A 0.417000 1.0079 - 2983 SYS 995 TIP3 O1 C -0.834000 15.9994 - 2984 SYS 995 TIP3 H1 A 0.417000 1.0079 - 2985 SYS 995 TIP3 H2 A 0.417000 1.0079 - 2986 SYS 996 TIP3 O1 C -0.834000 15.9994 - 2987 SYS 996 TIP3 H1 A 0.417000 1.0079 - 2988 SYS 996 TIP3 H2 A 0.417000 1.0079 - 2989 SYS 997 TIP3 O1 C -0.834000 15.9994 - 2990 SYS 997 TIP3 H1 A 0.417000 1.0079 - 2991 SYS 997 TIP3 H2 A 0.417000 1.0079 - 2992 SYS 998 TIP3 O1 C -0.834000 15.9994 - 2993 SYS 998 TIP3 H1 A 0.417000 1.0079 - 2994 SYS 998 TIP3 H2 A 0.417000 1.0079 - 2995 SYS 999 TIP3 O1 C -0.834000 15.9994 - 2996 SYS 999 TIP3 H1 A 0.417000 1.0079 - 2997 SYS 999 TIP3 H2 A 0.417000 1.0079 - 2998 SYS 1000 TIP3 O1 C -0.834000 15.9994 - 2999 SYS 1000 TIP3 H1 A 0.417000 1.0079 - 3000 SYS 1000 TIP3 H2 A 0.417000 1.0079 - 3001 SYS 1001 TIP3 O1 C -0.834000 15.9994 - 3002 SYS 1001 TIP3 H1 A 0.417000 1.0079 - 3003 SYS 1001 TIP3 H2 A 0.417000 1.0079 - 3004 SYS 1002 TIP3 O1 C -0.834000 15.9994 - 3005 SYS 1002 TIP3 H1 A 0.417000 1.0079 - 3006 SYS 1002 TIP3 H2 A 0.417000 1.0079 - 3007 SYS 1003 TIP3 O1 C -0.834000 15.9994 - 3008 SYS 1003 TIP3 H1 A 0.417000 1.0079 - 3009 SYS 1003 TIP3 H2 A 0.417000 1.0079 - 3010 SYS 1004 TIP3 O1 C -0.834000 15.9994 - 3011 SYS 1004 TIP3 H1 A 0.417000 1.0079 - 3012 SYS 1004 TIP3 H2 A 0.417000 1.0079 - 3013 SYS 1005 TIP3 O1 C -0.834000 15.9994 - 3014 SYS 1005 TIP3 H1 A 0.417000 1.0079 - 3015 SYS 1005 TIP3 H2 A 0.417000 1.0079 - 3016 SYS 1006 TIP3 O1 C -0.834000 15.9994 - 3017 SYS 1006 TIP3 H1 A 0.417000 1.0079 - 3018 SYS 1006 TIP3 H2 A 0.417000 1.0079 - 3019 SYS 1007 TIP3 O1 C -0.834000 15.9994 - 3020 SYS 1007 TIP3 H1 A 0.417000 1.0079 - 3021 SYS 1007 TIP3 H2 A 0.417000 1.0079 - 3022 SYS 1008 TIP3 O1 C -0.834000 15.9994 - 3023 SYS 1008 TIP3 H1 A 0.417000 1.0079 - 3024 SYS 1008 TIP3 H2 A 0.417000 1.0079 - 3025 SYS 1009 TIP3 O1 C -0.834000 15.9994 - 3026 SYS 1009 TIP3 H1 A 0.417000 1.0079 - 3027 SYS 1009 TIP3 H2 A 0.417000 1.0079 - 3028 SYS 1010 TIP3 O1 C -0.834000 15.9994 - 3029 SYS 1010 TIP3 H1 A 0.417000 1.0079 - 3030 SYS 1010 TIP3 H2 A 0.417000 1.0079 - 3031 SYS 1011 TIP3 O1 C -0.834000 15.9994 - 3032 SYS 1011 TIP3 H1 A 0.417000 1.0079 - 3033 SYS 1011 TIP3 H2 A 0.417000 1.0079 - 3034 SYS 1012 TIP3 O1 C -0.834000 15.9994 - 3035 SYS 1012 TIP3 H1 A 0.417000 1.0079 - 3036 SYS 1012 TIP3 H2 A 0.417000 1.0079 - 3037 SYS 1013 TIP3 O1 C -0.834000 15.9994 - 3038 SYS 1013 TIP3 H1 A 0.417000 1.0079 - 3039 SYS 1013 TIP3 H2 A 0.417000 1.0079 - 3040 SYS 1014 TIP3 O1 C -0.834000 15.9994 - 3041 SYS 1014 TIP3 H1 A 0.417000 1.0079 - 3042 SYS 1014 TIP3 H2 A 0.417000 1.0079 - 3043 SYS 1015 TIP3 O1 C -0.834000 15.9994 - 3044 SYS 1015 TIP3 H1 A 0.417000 1.0079 - 3045 SYS 1015 TIP3 H2 A 0.417000 1.0079 - 3046 SYS 1016 TIP3 O1 C -0.834000 15.9994 - 3047 SYS 1016 TIP3 H1 A 0.417000 1.0079 - 3048 SYS 1016 TIP3 H2 A 0.417000 1.0079 - 3049 SYS 1017 TIP3 O1 C -0.834000 15.9994 - 3050 SYS 1017 TIP3 H1 A 0.417000 1.0079 - 3051 SYS 1017 TIP3 H2 A 0.417000 1.0079 - 3052 SYS 1018 TIP3 O1 C -0.834000 15.9994 - 3053 SYS 1018 TIP3 H1 A 0.417000 1.0079 - 3054 SYS 1018 TIP3 H2 A 0.417000 1.0079 - 3055 SYS 1019 TIP3 O1 C -0.834000 15.9994 - 3056 SYS 1019 TIP3 H1 A 0.417000 1.0079 - 3057 SYS 1019 TIP3 H2 A 0.417000 1.0079 - 3058 SYS 1020 TIP3 O1 C -0.834000 15.9994 - 3059 SYS 1020 TIP3 H1 A 0.417000 1.0079 - 3060 SYS 1020 TIP3 H2 A 0.417000 1.0079 - 3061 SYS 1021 TIP3 O1 C -0.834000 15.9994 - 3062 SYS 1021 TIP3 H1 A 0.417000 1.0079 - 3063 SYS 1021 TIP3 H2 A 0.417000 1.0079 - 3064 SYS 1022 TIP3 O1 C -0.834000 15.9994 - 3065 SYS 1022 TIP3 H1 A 0.417000 1.0079 - 3066 SYS 1022 TIP3 H2 A 0.417000 1.0079 - 3067 SYS 1023 TIP3 O1 C -0.834000 15.9994 - 3068 SYS 1023 TIP3 H1 A 0.417000 1.0079 - 3069 SYS 1023 TIP3 H2 A 0.417000 1.0079 - 3070 SYS 1024 TIP3 O1 C -0.834000 15.9994 - 3071 SYS 1024 TIP3 H1 A 0.417000 1.0079 - 3072 SYS 1024 TIP3 H2 A 0.417000 1.0079 - 3073 SYS 1025 TIP3 O1 C -0.834000 15.9994 - 3074 SYS 1025 TIP3 H1 A 0.417000 1.0079 - 3075 SYS 1025 TIP3 H2 A 0.417000 1.0079 - 3076 SYS 1026 TIP3 O1 C -0.834000 15.9994 - 3077 SYS 1026 TIP3 H1 A 0.417000 1.0079 - 3078 SYS 1026 TIP3 H2 A 0.417000 1.0079 - 3079 SYS 1027 TIP3 O1 C -0.834000 15.9994 - 3080 SYS 1027 TIP3 H1 A 0.417000 1.0079 - 3081 SYS 1027 TIP3 H2 A 0.417000 1.0079 - 3082 SYS 1028 TIP3 O1 C -0.834000 15.9994 - 3083 SYS 1028 TIP3 H1 A 0.417000 1.0079 - 3084 SYS 1028 TIP3 H2 A 0.417000 1.0079 - 3085 SYS 1029 TIP3 O1 C -0.834000 15.9994 - 3086 SYS 1029 TIP3 H1 A 0.417000 1.0079 - 3087 SYS 1029 TIP3 H2 A 0.417000 1.0079 - 3088 SYS 1030 TIP3 O1 C -0.834000 15.9994 - 3089 SYS 1030 TIP3 H1 A 0.417000 1.0079 - 3090 SYS 1030 TIP3 H2 A 0.417000 1.0079 - 3091 SYS 1031 TIP3 O1 C -0.834000 15.9994 - 3092 SYS 1031 TIP3 H1 A 0.417000 1.0079 - 3093 SYS 1031 TIP3 H2 A 0.417000 1.0079 - 3094 SYS 1032 TIP3 O1 C -0.834000 15.9994 - 3095 SYS 1032 TIP3 H1 A 0.417000 1.0079 - 3096 SYS 1032 TIP3 H2 A 0.417000 1.0079 - 3097 SYS 1033 TIP3 O1 C -0.834000 15.9994 - 3098 SYS 1033 TIP3 H1 A 0.417000 1.0079 - 3099 SYS 1033 TIP3 H2 A 0.417000 1.0079 - 3100 SYS 1034 TIP3 O1 C -0.834000 15.9994 - 3101 SYS 1034 TIP3 H1 A 0.417000 1.0079 - 3102 SYS 1034 TIP3 H2 A 0.417000 1.0079 - 3103 SYS 1035 TIP3 O1 C -0.834000 15.9994 - 3104 SYS 1035 TIP3 H1 A 0.417000 1.0079 - 3105 SYS 1035 TIP3 H2 A 0.417000 1.0079 - 3106 SYS 1036 TIP3 O1 C -0.834000 15.9994 - 3107 SYS 1036 TIP3 H1 A 0.417000 1.0079 - 3108 SYS 1036 TIP3 H2 A 0.417000 1.0079 - 3109 SYS 1037 TIP3 O1 C -0.834000 15.9994 - 3110 SYS 1037 TIP3 H1 A 0.417000 1.0079 - 3111 SYS 1037 TIP3 H2 A 0.417000 1.0079 - 3112 SYS 1038 TIP3 O1 C -0.834000 15.9994 - 3113 SYS 1038 TIP3 H1 A 0.417000 1.0079 - 3114 SYS 1038 TIP3 H2 A 0.417000 1.0079 - 3115 SYS 1039 TIP3 O1 C -0.834000 15.9994 - 3116 SYS 1039 TIP3 H1 A 0.417000 1.0079 - 3117 SYS 1039 TIP3 H2 A 0.417000 1.0079 - 3118 SYS 1040 TIP3 O1 C -0.834000 15.9994 - 3119 SYS 1040 TIP3 H1 A 0.417000 1.0079 - 3120 SYS 1040 TIP3 H2 A 0.417000 1.0079 - 3121 SYS 1041 TIP3 O1 C -0.834000 15.9994 - 3122 SYS 1041 TIP3 H1 A 0.417000 1.0079 - 3123 SYS 1041 TIP3 H2 A 0.417000 1.0079 - 3124 SYS 1042 TIP3 O1 C -0.834000 15.9994 - 3125 SYS 1042 TIP3 H1 A 0.417000 1.0079 - 3126 SYS 1042 TIP3 H2 A 0.417000 1.0079 - 3127 SYS 1043 TIP3 O1 C -0.834000 15.9994 - 3128 SYS 1043 TIP3 H1 A 0.417000 1.0079 - 3129 SYS 1043 TIP3 H2 A 0.417000 1.0079 - 3130 SYS 1044 TIP3 O1 C -0.834000 15.9994 - 3131 SYS 1044 TIP3 H1 A 0.417000 1.0079 - 3132 SYS 1044 TIP3 H2 A 0.417000 1.0079 - 3133 SYS 1045 TIP3 O1 C -0.834000 15.9994 - 3134 SYS 1045 TIP3 H1 A 0.417000 1.0079 - 3135 SYS 1045 TIP3 H2 A 0.417000 1.0079 - 3136 SYS 1046 TIP3 O1 C -0.834000 15.9994 - 3137 SYS 1046 TIP3 H1 A 0.417000 1.0079 - 3138 SYS 1046 TIP3 H2 A 0.417000 1.0079 - 3139 SYS 1047 TIP3 O1 C -0.834000 15.9994 - 3140 SYS 1047 TIP3 H1 A 0.417000 1.0079 - 3141 SYS 1047 TIP3 H2 A 0.417000 1.0079 - 3142 SYS 1048 WAT O1 D -0.834000 15.9994 - 3143 SYS 1048 WAT H1 B 0.417000 1.0079 - 3144 SYS 1048 WAT H2 B 0.417000 1.0079 - 3145 SYS 1049 WAT O1 D -0.834000 15.9994 - 3146 SYS 1049 WAT H1 B 0.417000 1.0079 - 3147 SYS 1049 WAT H2 B 0.417000 1.0079 - 3148 SYS 1050 WAT O1 D -0.834000 15.9994 - 3149 SYS 1050 WAT H1 B 0.417000 1.0079 - 3150 SYS 1050 WAT H2 B 0.417000 1.0079 - 3151 SYS 1051 WAT O1 D -0.834000 15.9994 - 3152 SYS 1051 WAT H1 B 0.417000 1.0079 - 3153 SYS 1051 WAT H2 B 0.417000 1.0079 - 3154 SYS 1052 WAT O1 D -0.834000 15.9994 - 3155 SYS 1052 WAT H1 B 0.417000 1.0079 - 3156 SYS 1052 WAT H2 B 0.417000 1.0079 - 3157 SYS 1053 WAT O1 D -0.834000 15.9994 - 3158 SYS 1053 WAT H1 B 0.417000 1.0079 - 3159 SYS 1053 WAT H2 B 0.417000 1.0079 - 3160 SYS 1054 WAT O1 D -0.834000 15.9994 - 3161 SYS 1054 WAT H1 B 0.417000 1.0079 - 3162 SYS 1054 WAT H2 B 0.417000 1.0079 - 3163 SYS 1055 WAT O1 D -0.834000 15.9994 - 3164 SYS 1055 WAT H1 B 0.417000 1.0079 - 3165 SYS 1055 WAT H2 B 0.417000 1.0079 - 3166 SYS 1056 WAT O1 D -0.834000 15.9994 - 3167 SYS 1056 WAT H1 B 0.417000 1.0079 - 3168 SYS 1056 WAT H2 B 0.417000 1.0079 - 3169 SYS 1057 WAT O1 D -0.834000 15.9994 - 3170 SYS 1057 WAT H1 B 0.417000 1.0079 - 3171 SYS 1057 WAT H2 B 0.417000 1.0079 - 3172 SYS 1058 WAT O1 D -0.834000 15.9994 - 3173 SYS 1058 WAT H1 B 0.417000 1.0079 - 3174 SYS 1058 WAT H2 B 0.417000 1.0079 - 3175 SYS 1059 WAT O1 D -0.834000 15.9994 - 3176 SYS 1059 WAT H1 B 0.417000 1.0079 - 3177 SYS 1059 WAT H2 B 0.417000 1.0079 - 3178 SYS 1060 WAT O1 D -0.834000 15.9994 - 3179 SYS 1060 WAT H1 B 0.417000 1.0079 - 3180 SYS 1060 WAT H2 B 0.417000 1.0079 - 3181 SYS 1061 WAT O1 D -0.834000 15.9994 - 3182 SYS 1061 WAT H1 B 0.417000 1.0079 - 3183 SYS 1061 WAT H2 B 0.417000 1.0079 - 3184 SYS 1062 WAT O1 D -0.834000 15.9994 - 3185 SYS 1062 WAT H1 B 0.417000 1.0079 - 3186 SYS 1062 WAT H2 B 0.417000 1.0079 - 3187 SYS 1063 WAT O1 D -0.834000 15.9994 - 3188 SYS 1063 WAT H1 B 0.417000 1.0079 - 3189 SYS 1063 WAT H2 B 0.417000 1.0079 - 3190 SYS 1064 WAT O1 D -0.834000 15.9994 - 3191 SYS 1064 WAT H1 B 0.417000 1.0079 - 3192 SYS 1064 WAT H2 B 0.417000 1.0079 - 3193 SYS 1065 WAT O1 D -0.834000 15.9994 - 3194 SYS 1065 WAT H1 B 0.417000 1.0079 - 3195 SYS 1065 WAT H2 B 0.417000 1.0079 - 3196 SYS 1066 WAT O1 D -0.834000 15.9994 - 3197 SYS 1066 WAT H1 B 0.417000 1.0079 - 3198 SYS 1066 WAT H2 B 0.417000 1.0079 - 3199 SYS 1067 WAT O1 D -0.834000 15.9994 - 3200 SYS 1067 WAT H1 B 0.417000 1.0079 - 3201 SYS 1067 WAT H2 B 0.417000 1.0079 - 3202 SYS 1068 WAT O1 D -0.834000 15.9994 - 3203 SYS 1068 WAT H1 B 0.417000 1.0079 - 3204 SYS 1068 WAT H2 B 0.417000 1.0079 - 3205 SYS 1069 WAT O1 D -0.834000 15.9994 - 3206 SYS 1069 WAT H1 B 0.417000 1.0079 - 3207 SYS 1069 WAT H2 B 0.417000 1.0079 - 3208 SYS 1070 WAT O1 D -0.834000 15.9994 - 3209 SYS 1070 WAT H1 B 0.417000 1.0079 - 3210 SYS 1070 WAT H2 B 0.417000 1.0079 - 3211 SYS 1071 WAT O1 D -0.834000 15.9994 - 3212 SYS 1071 WAT H1 B 0.417000 1.0079 - 3213 SYS 1071 WAT H2 B 0.417000 1.0079 - 3214 SYS 1072 WAT O1 D -0.834000 15.9994 - 3215 SYS 1072 WAT H1 B 0.417000 1.0079 - 3216 SYS 1072 WAT H2 B 0.417000 1.0079 - 3217 SYS 1073 WAT O1 D -0.834000 15.9994 - 3218 SYS 1073 WAT H1 B 0.417000 1.0079 - 3219 SYS 1073 WAT H2 B 0.417000 1.0079 - 3220 SYS 1074 WAT O1 D -0.834000 15.9994 - 3221 SYS 1074 WAT H1 B 0.417000 1.0079 - 3222 SYS 1074 WAT H2 B 0.417000 1.0079 - 3223 SYS 1075 WAT O1 D -0.834000 15.9994 - 3224 SYS 1075 WAT H1 B 0.417000 1.0079 - 3225 SYS 1075 WAT H2 B 0.417000 1.0079 - 3226 SYS 1076 WAT O1 D -0.834000 15.9994 - 3227 SYS 1076 WAT H1 B 0.417000 1.0079 - 3228 SYS 1076 WAT H2 B 0.417000 1.0079 - 3229 SYS 1077 WAT O1 D -0.834000 15.9994 - 3230 SYS 1077 WAT H1 B 0.417000 1.0079 - 3231 SYS 1077 WAT H2 B 0.417000 1.0079 - 3232 SYS 1078 WAT O1 D -0.834000 15.9994 - 3233 SYS 1078 WAT H1 B 0.417000 1.0079 - 3234 SYS 1078 WAT H2 B 0.417000 1.0079 - 3235 SYS 1079 WAT O1 D -0.834000 15.9994 - 3236 SYS 1079 WAT H1 B 0.417000 1.0079 - 3237 SYS 1079 WAT H2 B 0.417000 1.0079 - 3238 SYS 1080 WAT O1 D -0.834000 15.9994 - 3239 SYS 1080 WAT H1 B 0.417000 1.0079 - 3240 SYS 1080 WAT H2 B 0.417000 1.0079 - 3241 SYS 1081 WAT O1 D -0.834000 15.9994 - 3242 SYS 1081 WAT H1 B 0.417000 1.0079 - 3243 SYS 1081 WAT H2 B 0.417000 1.0079 - 3244 SYS 1082 WAT O1 D -0.834000 15.9994 - 3245 SYS 1082 WAT H1 B 0.417000 1.0079 - 3246 SYS 1082 WAT H2 B 0.417000 1.0079 - 3247 SYS 1083 WAT O1 D -0.834000 15.9994 - 3248 SYS 1083 WAT H1 B 0.417000 1.0079 - 3249 SYS 1083 WAT H2 B 0.417000 1.0079 - 3250 SYS 1084 WAT O1 D -0.834000 15.9994 - 3251 SYS 1084 WAT H1 B 0.417000 1.0079 - 3252 SYS 1084 WAT H2 B 0.417000 1.0079 - 3253 SYS 1085 WAT O1 D -0.834000 15.9994 - 3254 SYS 1085 WAT H1 B 0.417000 1.0079 - 3255 SYS 1085 WAT H2 B 0.417000 1.0079 - 3256 SYS 1086 WAT O1 D -0.834000 15.9994 - 3257 SYS 1086 WAT H1 B 0.417000 1.0079 - 3258 SYS 1086 WAT H2 B 0.417000 1.0079 - 3259 SYS 1087 WAT O1 D -0.834000 15.9994 - 3260 SYS 1087 WAT H1 B 0.417000 1.0079 - 3261 SYS 1087 WAT H2 B 0.417000 1.0079 - 3262 SYS 1088 WAT O1 D -0.834000 15.9994 - 3263 SYS 1088 WAT H1 B 0.417000 1.0079 - 3264 SYS 1088 WAT H2 B 0.417000 1.0079 - 3265 SYS 1089 WAT O1 D -0.834000 15.9994 - 3266 SYS 1089 WAT H1 B 0.417000 1.0079 - 3267 SYS 1089 WAT H2 B 0.417000 1.0079 - 3268 SYS 1090 WAT O1 D -0.834000 15.9994 - 3269 SYS 1090 WAT H1 B 0.417000 1.0079 - 3270 SYS 1090 WAT H2 B 0.417000 1.0079 - 3271 SYS 1091 WAT O1 D -0.834000 15.9994 - 3272 SYS 1091 WAT H1 B 0.417000 1.0079 - 3273 SYS 1091 WAT H2 B 0.417000 1.0079 - 3274 SYS 1092 WAT O1 D -0.834000 15.9994 - 3275 SYS 1092 WAT H1 B 0.417000 1.0079 - 3276 SYS 1092 WAT H2 B 0.417000 1.0079 - 3277 SYS 1093 WAT O1 D -0.834000 15.9994 - 3278 SYS 1093 WAT H1 B 0.417000 1.0079 - 3279 SYS 1093 WAT H2 B 0.417000 1.0079 - 3280 SYS 1094 WAT O1 D -0.834000 15.9994 - 3281 SYS 1094 WAT H1 B 0.417000 1.0079 - 3282 SYS 1094 WAT H2 B 0.417000 1.0079 - 3283 SYS 1095 WAT O1 D -0.834000 15.9994 - 3284 SYS 1095 WAT H1 B 0.417000 1.0079 - 3285 SYS 1095 WAT H2 B 0.417000 1.0079 - 3286 SYS 1096 WAT O1 D -0.834000 15.9994 - 3287 SYS 1096 WAT H1 B 0.417000 1.0079 - 3288 SYS 1096 WAT H2 B 0.417000 1.0079 - 3289 SYS 1097 WAT O1 D -0.834000 15.9994 - 3290 SYS 1097 WAT H1 B 0.417000 1.0079 - 3291 SYS 1097 WAT H2 B 0.417000 1.0079 - 3292 SYS 1098 WAT O1 D -0.834000 15.9994 - 3293 SYS 1098 WAT H1 B 0.417000 1.0079 - 3294 SYS 1098 WAT H2 B 0.417000 1.0079 - 3295 SYS 1099 WAT O1 D -0.834000 15.9994 - 3296 SYS 1099 WAT H1 B 0.417000 1.0079 - 3297 SYS 1099 WAT H2 B 0.417000 1.0079 - 3298 SYS 1100 WAT O1 D -0.834000 15.9994 - 3299 SYS 1100 WAT H1 B 0.417000 1.0079 - 3300 SYS 1100 WAT H2 B 0.417000 1.0079 - 3301 SYS 1101 WAT O1 D -0.834000 15.9994 - 3302 SYS 1101 WAT H1 B 0.417000 1.0079 - 3303 SYS 1101 WAT H2 B 0.417000 1.0079 - 3304 SYS 1102 WAT O1 D -0.834000 15.9994 - 3305 SYS 1102 WAT H1 B 0.417000 1.0079 - 3306 SYS 1102 WAT H2 B 0.417000 1.0079 - 3307 SYS 1103 WAT O1 D -0.834000 15.9994 - 3308 SYS 1103 WAT H1 B 0.417000 1.0079 - 3309 SYS 1103 WAT H2 B 0.417000 1.0079 - 3310 SYS 1104 WAT O1 D -0.834000 15.9994 - 3311 SYS 1104 WAT H1 B 0.417000 1.0079 - 3312 SYS 1104 WAT H2 B 0.417000 1.0079 - 3313 SYS 1105 WAT O1 D -0.834000 15.9994 - 3314 SYS 1105 WAT H1 B 0.417000 1.0079 - 3315 SYS 1105 WAT H2 B 0.417000 1.0079 - 3316 SYS 1106 WAT O1 D -0.834000 15.9994 - 3317 SYS 1106 WAT H1 B 0.417000 1.0079 - 3318 SYS 1106 WAT H2 B 0.417000 1.0079 - 3319 SYS 1107 WAT O1 D -0.834000 15.9994 - 3320 SYS 1107 WAT H1 B 0.417000 1.0079 - 3321 SYS 1107 WAT H2 B 0.417000 1.0079 - 3322 SYS 1108 WAT O1 D -0.834000 15.9994 - 3323 SYS 1108 WAT H1 B 0.417000 1.0079 - 3324 SYS 1108 WAT H2 B 0.417000 1.0079 - 3325 SYS 1109 WAT O1 D -0.834000 15.9994 - 3326 SYS 1109 WAT H1 B 0.417000 1.0079 - 3327 SYS 1109 WAT H2 B 0.417000 1.0079 - 3328 SYS 1110 WAT O1 D -0.834000 15.9994 - 3329 SYS 1110 WAT H1 B 0.417000 1.0079 - 3330 SYS 1110 WAT H2 B 0.417000 1.0079 - 3331 SYS 1111 WAT O1 D -0.834000 15.9994 - 3332 SYS 1111 WAT H1 B 0.417000 1.0079 - 3333 SYS 1111 WAT H2 B 0.417000 1.0079 - 3334 SYS 1112 WAT O1 D -0.834000 15.9994 - 3335 SYS 1112 WAT H1 B 0.417000 1.0079 - 3336 SYS 1112 WAT H2 B 0.417000 1.0079 - 3337 SYS 1113 WAT O1 D -0.834000 15.9994 - 3338 SYS 1113 WAT H1 B 0.417000 1.0079 - 3339 SYS 1113 WAT H2 B 0.417000 1.0079 - 3340 SYS 1114 WAT O1 D -0.834000 15.9994 - 3341 SYS 1114 WAT H1 B 0.417000 1.0079 - 3342 SYS 1114 WAT H2 B 0.417000 1.0079 - 3343 SYS 1115 WAT O1 D -0.834000 15.9994 - 3344 SYS 1115 WAT H1 B 0.417000 1.0079 - 3345 SYS 1115 WAT H2 B 0.417000 1.0079 - 3346 SYS 1116 WAT O1 D -0.834000 15.9994 - 3347 SYS 1116 WAT H1 B 0.417000 1.0079 - 3348 SYS 1116 WAT H2 B 0.417000 1.0079 - 3349 SYS 1117 WAT O1 D -0.834000 15.9994 - 3350 SYS 1117 WAT H1 B 0.417000 1.0079 - 3351 SYS 1117 WAT H2 B 0.417000 1.0079 - 3352 SYS 1118 WAT O1 D -0.834000 15.9994 - 3353 SYS 1118 WAT H1 B 0.417000 1.0079 - 3354 SYS 1118 WAT H2 B 0.417000 1.0079 - 3355 SYS 1119 WAT O1 D -0.834000 15.9994 - 3356 SYS 1119 WAT H1 B 0.417000 1.0079 - 3357 SYS 1119 WAT H2 B 0.417000 1.0079 - 3358 SYS 1120 WAT O1 D -0.834000 15.9994 - 3359 SYS 1120 WAT H1 B 0.417000 1.0079 - 3360 SYS 1120 WAT H2 B 0.417000 1.0079 - 3361 SYS 1121 WAT O1 D -0.834000 15.9994 - 3362 SYS 1121 WAT H1 B 0.417000 1.0079 - 3363 SYS 1121 WAT H2 B 0.417000 1.0079 - 3364 SYS 1122 WAT O1 D -0.834000 15.9994 - 3365 SYS 1122 WAT H1 B 0.417000 1.0079 - 3366 SYS 1122 WAT H2 B 0.417000 1.0079 - 3367 SYS 1123 WAT O1 D -0.834000 15.9994 - 3368 SYS 1123 WAT H1 B 0.417000 1.0079 - 3369 SYS 1123 WAT H2 B 0.417000 1.0079 - 3370 SYS 1124 WAT O1 D -0.834000 15.9994 - 3371 SYS 1124 WAT H1 B 0.417000 1.0079 - 3372 SYS 1124 WAT H2 B 0.417000 1.0079 - 3373 SYS 1125 WAT O1 D -0.834000 15.9994 - 3374 SYS 1125 WAT H1 B 0.417000 1.0079 - 3375 SYS 1125 WAT H2 B 0.417000 1.0079 - 3376 SYS 1126 WAT O1 D -0.834000 15.9994 - 3377 SYS 1126 WAT H1 B 0.417000 1.0079 - 3378 SYS 1126 WAT H2 B 0.417000 1.0079 - 3379 SYS 1127 WAT O1 D -0.834000 15.9994 - 3380 SYS 1127 WAT H1 B 0.417000 1.0079 - 3381 SYS 1127 WAT H2 B 0.417000 1.0079 - 3382 SYS 1128 WAT O1 D -0.834000 15.9994 - 3383 SYS 1128 WAT H1 B 0.417000 1.0079 - 3384 SYS 1128 WAT H2 B 0.417000 1.0079 - 3385 SYS 1129 WAT O1 D -0.834000 15.9994 - 3386 SYS 1129 WAT H1 B 0.417000 1.0079 - 3387 SYS 1129 WAT H2 B 0.417000 1.0079 - 3388 SYS 1130 WAT O1 D -0.834000 15.9994 - 3389 SYS 1130 WAT H1 B 0.417000 1.0079 - 3390 SYS 1130 WAT H2 B 0.417000 1.0079 - 3391 SYS 1131 WAT O1 D -0.834000 15.9994 - 3392 SYS 1131 WAT H1 B 0.417000 1.0079 - 3393 SYS 1131 WAT H2 B 0.417000 1.0079 - 3394 SYS 1132 WAT O1 D -0.834000 15.9994 - 3395 SYS 1132 WAT H1 B 0.417000 1.0079 - 3396 SYS 1132 WAT H2 B 0.417000 1.0079 - 3397 SYS 1133 WAT O1 D -0.834000 15.9994 - 3398 SYS 1133 WAT H1 B 0.417000 1.0079 - 3399 SYS 1133 WAT H2 B 0.417000 1.0079 - 3400 SYS 1134 WAT O1 D -0.834000 15.9994 - 3401 SYS 1134 WAT H1 B 0.417000 1.0079 - 3402 SYS 1134 WAT H2 B 0.417000 1.0079 - 3403 SYS 1135 WAT O1 D -0.834000 15.9994 - 3404 SYS 1135 WAT H1 B 0.417000 1.0079 - 3405 SYS 1135 WAT H2 B 0.417000 1.0079 - 3406 SYS 1136 WAT O1 D -0.834000 15.9994 - 3407 SYS 1136 WAT H1 B 0.417000 1.0079 - 3408 SYS 1136 WAT H2 B 0.417000 1.0079 - 3409 SYS 1137 WAT O1 D -0.834000 15.9994 - 3410 SYS 1137 WAT H1 B 0.417000 1.0079 - 3411 SYS 1137 WAT H2 B 0.417000 1.0079 - 3412 SYS 1138 WAT O1 D -0.834000 15.9994 - 3413 SYS 1138 WAT H1 B 0.417000 1.0079 - 3414 SYS 1138 WAT H2 B 0.417000 1.0079 - 3415 SYS 1139 WAT O1 D -0.834000 15.9994 - 3416 SYS 1139 WAT H1 B 0.417000 1.0079 - 3417 SYS 1139 WAT H2 B 0.417000 1.0079 - 3418 SYS 1140 WAT O1 D -0.834000 15.9994 - 3419 SYS 1140 WAT H1 B 0.417000 1.0079 - 3420 SYS 1140 WAT H2 B 0.417000 1.0079 - 3421 SYS 1141 WAT O1 D -0.834000 15.9994 - 3422 SYS 1141 WAT H1 B 0.417000 1.0079 - 3423 SYS 1141 WAT H2 B 0.417000 1.0079 - 3424 SYS 1142 WAT O1 D -0.834000 15.9994 - 3425 SYS 1142 WAT H1 B 0.417000 1.0079 - 3426 SYS 1142 WAT H2 B 0.417000 1.0079 - 3427 SYS 1143 WAT O1 D -0.834000 15.9994 - 3428 SYS 1143 WAT H1 B 0.417000 1.0079 - 3429 SYS 1143 WAT H2 B 0.417000 1.0079 - 3430 SYS 1144 WAT O1 D -0.834000 15.9994 - 3431 SYS 1144 WAT H1 B 0.417000 1.0079 - 3432 SYS 1144 WAT H2 B 0.417000 1.0079 - 3433 SYS 1145 WAT O1 D -0.834000 15.9994 - 3434 SYS 1145 WAT H1 B 0.417000 1.0079 - 3435 SYS 1145 WAT H2 B 0.417000 1.0079 - 3436 SYS 1146 WAT O1 D -0.834000 15.9994 - 3437 SYS 1146 WAT H1 B 0.417000 1.0079 - 3438 SYS 1146 WAT H2 B 0.417000 1.0079 - 3439 SYS 1147 WAT O1 D -0.834000 15.9994 - 3440 SYS 1147 WAT H1 B 0.417000 1.0079 - 3441 SYS 1147 WAT H2 B 0.417000 1.0079 - 3442 SYS 1148 WAT O1 D -0.834000 15.9994 - 3443 SYS 1148 WAT H1 B 0.417000 1.0079 - 3444 SYS 1148 WAT H2 B 0.417000 1.0079 - 3445 SYS 1149 WAT O1 D -0.834000 15.9994 - 3446 SYS 1149 WAT H1 B 0.417000 1.0079 - 3447 SYS 1149 WAT H2 B 0.417000 1.0079 - 3448 SYS 1150 WAT O1 D -0.834000 15.9994 - 3449 SYS 1150 WAT H1 B 0.417000 1.0079 - 3450 SYS 1150 WAT H2 B 0.417000 1.0079 - 3451 SYS 1151 WAT O1 D -0.834000 15.9994 - 3452 SYS 1151 WAT H1 B 0.417000 1.0079 - 3453 SYS 1151 WAT H2 B 0.417000 1.0079 - 3454 SYS 1152 WAT O1 D -0.834000 15.9994 - 3455 SYS 1152 WAT H1 B 0.417000 1.0079 - 3456 SYS 1152 WAT H2 B 0.417000 1.0079 - 3457 SYS 1153 WAT O1 D -0.834000 15.9994 - 3458 SYS 1153 WAT H1 B 0.417000 1.0079 - 3459 SYS 1153 WAT H2 B 0.417000 1.0079 - 3460 SYS 1154 WAT O1 D -0.834000 15.9994 - 3461 SYS 1154 WAT H1 B 0.417000 1.0079 - 3462 SYS 1154 WAT H2 B 0.417000 1.0079 - 3463 SYS 1155 WAT O1 D -0.834000 15.9994 - 3464 SYS 1155 WAT H1 B 0.417000 1.0079 - 3465 SYS 1155 WAT H2 B 0.417000 1.0079 - 3466 SYS 1156 WAT O1 D -0.834000 15.9994 - 3467 SYS 1156 WAT H1 B 0.417000 1.0079 - 3468 SYS 1156 WAT H2 B 0.417000 1.0079 - 3469 SYS 1157 WAT O1 D -0.834000 15.9994 - 3470 SYS 1157 WAT H1 B 0.417000 1.0079 - 3471 SYS 1157 WAT H2 B 0.417000 1.0079 - 3472 SYS 1158 WAT O1 D -0.834000 15.9994 - 3473 SYS 1158 WAT H1 B 0.417000 1.0079 - 3474 SYS 1158 WAT H2 B 0.417000 1.0079 - 3475 SYS 1159 WAT O1 D -0.834000 15.9994 - 3476 SYS 1159 WAT H1 B 0.417000 1.0079 - 3477 SYS 1159 WAT H2 B 0.417000 1.0079 - 3478 SYS 1160 WAT O1 D -0.834000 15.9994 - 3479 SYS 1160 WAT H1 B 0.417000 1.0079 - 3480 SYS 1160 WAT H2 B 0.417000 1.0079 - 3481 SYS 1161 WAT O1 D -0.834000 15.9994 - 3482 SYS 1161 WAT H1 B 0.417000 1.0079 - 3483 SYS 1161 WAT H2 B 0.417000 1.0079 - 3484 SYS 1162 WAT O1 D -0.834000 15.9994 - 3485 SYS 1162 WAT H1 B 0.417000 1.0079 - 3486 SYS 1162 WAT H2 B 0.417000 1.0079 - 3487 SYS 1163 WAT O1 D -0.834000 15.9994 - 3488 SYS 1163 WAT H1 B 0.417000 1.0079 - 3489 SYS 1163 WAT H2 B 0.417000 1.0079 - 3490 SYS 1164 WAT O1 D -0.834000 15.9994 - 3491 SYS 1164 WAT H1 B 0.417000 1.0079 - 3492 SYS 1164 WAT H2 B 0.417000 1.0079 - 3493 SYS 1165 WAT O1 D -0.834000 15.9994 - 3494 SYS 1165 WAT H1 B 0.417000 1.0079 - 3495 SYS 1165 WAT H2 B 0.417000 1.0079 - 3496 SYS 1166 WAT O1 D -0.834000 15.9994 - 3497 SYS 1166 WAT H1 B 0.417000 1.0079 - 3498 SYS 1166 WAT H2 B 0.417000 1.0079 - 3499 SYS 1167 WAT O1 D -0.834000 15.9994 - 3500 SYS 1167 WAT H1 B 0.417000 1.0079 - 3501 SYS 1167 WAT H2 B 0.417000 1.0079 - 3502 SYS 1168 WAT O1 D -0.834000 15.9994 - 3503 SYS 1168 WAT H1 B 0.417000 1.0079 - 3504 SYS 1168 WAT H2 B 0.417000 1.0079 - 3505 SYS 1169 WAT O1 D -0.834000 15.9994 - 3506 SYS 1169 WAT H1 B 0.417000 1.0079 - 3507 SYS 1169 WAT H2 B 0.417000 1.0079 - 3508 SYS 1170 WAT O1 D -0.834000 15.9994 - 3509 SYS 1170 WAT H1 B 0.417000 1.0079 - 3510 SYS 1170 WAT H2 B 0.417000 1.0079 - 3511 SYS 1171 WAT O1 D -0.834000 15.9994 - 3512 SYS 1171 WAT H1 B 0.417000 1.0079 - 3513 SYS 1171 WAT H2 B 0.417000 1.0079 - 3514 SYS 1172 WAT O1 D -0.834000 15.9994 - 3515 SYS 1172 WAT H1 B 0.417000 1.0079 - 3516 SYS 1172 WAT H2 B 0.417000 1.0079 - 3517 SYS 1173 WAT O1 D -0.834000 15.9994 - 3518 SYS 1173 WAT H1 B 0.417000 1.0079 - 3519 SYS 1173 WAT H2 B 0.417000 1.0079 - 3520 SYS 1174 WAT O1 D -0.834000 15.9994 - 3521 SYS 1174 WAT H1 B 0.417000 1.0079 - 3522 SYS 1174 WAT H2 B 0.417000 1.0079 - 3523 SYS 1175 WAT O1 D -0.834000 15.9994 - 3524 SYS 1175 WAT H1 B 0.417000 1.0079 - 3525 SYS 1175 WAT H2 B 0.417000 1.0079 - 3526 SYS 1176 WAT O1 D -0.834000 15.9994 - 3527 SYS 1176 WAT H1 B 0.417000 1.0079 - 3528 SYS 1176 WAT H2 B 0.417000 1.0079 - 3529 SYS 1177 WAT O1 D -0.834000 15.9994 - 3530 SYS 1177 WAT H1 B 0.417000 1.0079 - 3531 SYS 1177 WAT H2 B 0.417000 1.0079 - 3532 SYS 1178 WAT O1 D -0.834000 15.9994 - 3533 SYS 1178 WAT H1 B 0.417000 1.0079 - 3534 SYS 1178 WAT H2 B 0.417000 1.0079 - 3535 SYS 1179 WAT O1 D -0.834000 15.9994 - 3536 SYS 1179 WAT H1 B 0.417000 1.0079 - 3537 SYS 1179 WAT H2 B 0.417000 1.0079 - 3538 SYS 1180 WAT O1 D -0.834000 15.9994 - 3539 SYS 1180 WAT H1 B 0.417000 1.0079 - 3540 SYS 1180 WAT H2 B 0.417000 1.0079 - 3541 SYS 1181 WAT O1 D -0.834000 15.9994 - 3542 SYS 1181 WAT H1 B 0.417000 1.0079 - 3543 SYS 1181 WAT H2 B 0.417000 1.0079 - 3544 SYS 1182 WAT O1 D -0.834000 15.9994 - 3545 SYS 1182 WAT H1 B 0.417000 1.0079 - 3546 SYS 1182 WAT H2 B 0.417000 1.0079 - 3547 SYS 1183 WAT O1 D -0.834000 15.9994 - 3548 SYS 1183 WAT H1 B 0.417000 1.0079 - 3549 SYS 1183 WAT H2 B 0.417000 1.0079 - 3550 SYS 1184 WAT O1 D -0.834000 15.9994 - 3551 SYS 1184 WAT H1 B 0.417000 1.0079 - 3552 SYS 1184 WAT H2 B 0.417000 1.0079 - 3553 SYS 1185 WAT O1 D -0.834000 15.9994 - 3554 SYS 1185 WAT H1 B 0.417000 1.0079 - 3555 SYS 1185 WAT H2 B 0.417000 1.0079 - 3556 SYS 1186 WAT O1 D -0.834000 15.9994 - 3557 SYS 1186 WAT H1 B 0.417000 1.0079 - 3558 SYS 1186 WAT H2 B 0.417000 1.0079 - 3559 SYS 1187 WAT O1 D -0.834000 15.9994 - 3560 SYS 1187 WAT H1 B 0.417000 1.0079 - 3561 SYS 1187 WAT H2 B 0.417000 1.0079 - 3562 SYS 1188 WAT O1 D -0.834000 15.9994 - 3563 SYS 1188 WAT H1 B 0.417000 1.0079 - 3564 SYS 1188 WAT H2 B 0.417000 1.0079 - 3565 SYS 1189 WAT O1 D -0.834000 15.9994 - 3566 SYS 1189 WAT H1 B 0.417000 1.0079 - 3567 SYS 1189 WAT H2 B 0.417000 1.0079 - 3568 SYS 1190 WAT O1 D -0.834000 15.9994 - 3569 SYS 1190 WAT H1 B 0.417000 1.0079 - 3570 SYS 1190 WAT H2 B 0.417000 1.0079 - 3571 SYS 1191 WAT O1 D -0.834000 15.9994 - 3572 SYS 1191 WAT H1 B 0.417000 1.0079 - 3573 SYS 1191 WAT H2 B 0.417000 1.0079 - 3574 SYS 1192 WAT O1 D -0.834000 15.9994 - 3575 SYS 1192 WAT H1 B 0.417000 1.0079 - 3576 SYS 1192 WAT H2 B 0.417000 1.0079 - 3577 SYS 1193 WAT O1 D -0.834000 15.9994 - 3578 SYS 1193 WAT H1 B 0.417000 1.0079 - 3579 SYS 1193 WAT H2 B 0.417000 1.0079 - 3580 SYS 1194 WAT O1 D -0.834000 15.9994 - 3581 SYS 1194 WAT H1 B 0.417000 1.0079 - 3582 SYS 1194 WAT H2 B 0.417000 1.0079 - 3583 SYS 1195 WAT O1 D -0.834000 15.9994 - 3584 SYS 1195 WAT H1 B 0.417000 1.0079 - 3585 SYS 1195 WAT H2 B 0.417000 1.0079 - 3586 SYS 1196 WAT O1 D -0.834000 15.9994 - 3587 SYS 1196 WAT H1 B 0.417000 1.0079 - 3588 SYS 1196 WAT H2 B 0.417000 1.0079 - 3589 SYS 1197 WAT O1 D -0.834000 15.9994 - 3590 SYS 1197 WAT H1 B 0.417000 1.0079 - 3591 SYS 1197 WAT H2 B 0.417000 1.0079 - 3592 SYS 1198 WAT O1 D -0.834000 15.9994 - 3593 SYS 1198 WAT H1 B 0.417000 1.0079 - 3594 SYS 1198 WAT H2 B 0.417000 1.0079 - 3595 SYS 1199 WAT O1 D -0.834000 15.9994 - 3596 SYS 1199 WAT H1 B 0.417000 1.0079 - 3597 SYS 1199 WAT H2 B 0.417000 1.0079 - 3598 SYS 1200 WAT O1 D -0.834000 15.9994 - 3599 SYS 1200 WAT H1 B 0.417000 1.0079 - 3600 SYS 1200 WAT H2 B 0.417000 1.0079 - 3601 SYS 1201 WAT O1 D -0.834000 15.9994 - 3602 SYS 1201 WAT H1 B 0.417000 1.0079 - 3603 SYS 1201 WAT H2 B 0.417000 1.0079 - 3604 SYS 1202 WAT O1 D -0.834000 15.9994 - 3605 SYS 1202 WAT H1 B 0.417000 1.0079 - 3606 SYS 1202 WAT H2 B 0.417000 1.0079 - 3607 SYS 1203 WAT O1 D -0.834000 15.9994 - 3608 SYS 1203 WAT H1 B 0.417000 1.0079 - 3609 SYS 1203 WAT H2 B 0.417000 1.0079 - 3610 SYS 1204 WAT O1 D -0.834000 15.9994 - 3611 SYS 1204 WAT H1 B 0.417000 1.0079 - 3612 SYS 1204 WAT H2 B 0.417000 1.0079 - 3613 SYS 1205 WAT O1 D -0.834000 15.9994 - 3614 SYS 1205 WAT H1 B 0.417000 1.0079 - 3615 SYS 1205 WAT H2 B 0.417000 1.0079 - 3616 SYS 1206 WAT O1 D -0.834000 15.9994 - 3617 SYS 1206 WAT H1 B 0.417000 1.0079 - 3618 SYS 1206 WAT H2 B 0.417000 1.0079 - 3619 SYS 1207 WAT O1 D -0.834000 15.9994 - 3620 SYS 1207 WAT H1 B 0.417000 1.0079 - 3621 SYS 1207 WAT H2 B 0.417000 1.0079 - 3622 SYS 1208 WAT O1 D -0.834000 15.9994 - 3623 SYS 1208 WAT H1 B 0.417000 1.0079 - 3624 SYS 1208 WAT H2 B 0.417000 1.0079 - 3625 SYS 1209 WAT O1 D -0.834000 15.9994 - 3626 SYS 1209 WAT H1 B 0.417000 1.0079 - 3627 SYS 1209 WAT H2 B 0.417000 1.0079 - 3628 SYS 1210 WAT O1 D -0.834000 15.9994 - 3629 SYS 1210 WAT H1 B 0.417000 1.0079 - 3630 SYS 1210 WAT H2 B 0.417000 1.0079 - 3631 SYS 1211 WAT O1 D -0.834000 15.9994 - 3632 SYS 1211 WAT H1 B 0.417000 1.0079 - 3633 SYS 1211 WAT H2 B 0.417000 1.0079 - 3634 SYS 1212 WAT O1 D -0.834000 15.9994 - 3635 SYS 1212 WAT H1 B 0.417000 1.0079 - 3636 SYS 1212 WAT H2 B 0.417000 1.0079 - 3637 SYS 1213 WAT O1 D -0.834000 15.9994 - 3638 SYS 1213 WAT H1 B 0.417000 1.0079 - 3639 SYS 1213 WAT H2 B 0.417000 1.0079 - 3640 SYS 1214 WAT O1 D -0.834000 15.9994 - 3641 SYS 1214 WAT H1 B 0.417000 1.0079 - 3642 SYS 1214 WAT H2 B 0.417000 1.0079 - 3643 SYS 1215 WAT O1 D -0.834000 15.9994 - 3644 SYS 1215 WAT H1 B 0.417000 1.0079 - 3645 SYS 1215 WAT H2 B 0.417000 1.0079 - 3646 SYS 1216 WAT O1 D -0.834000 15.9994 - 3647 SYS 1216 WAT H1 B 0.417000 1.0079 - 3648 SYS 1216 WAT H2 B 0.417000 1.0079 - 3649 SYS 1217 WAT O1 D -0.834000 15.9994 - 3650 SYS 1217 WAT H1 B 0.417000 1.0079 - 3651 SYS 1217 WAT H2 B 0.417000 1.0079 - 3652 SYS 1218 WAT O1 D -0.834000 15.9994 - 3653 SYS 1218 WAT H1 B 0.417000 1.0079 - 3654 SYS 1218 WAT H2 B 0.417000 1.0079 - 3655 SYS 1219 WAT O1 D -0.834000 15.9994 - 3656 SYS 1219 WAT H1 B 0.417000 1.0079 - 3657 SYS 1219 WAT H2 B 0.417000 1.0079 - 3658 SYS 1220 WAT O1 D -0.834000 15.9994 - 3659 SYS 1220 WAT H1 B 0.417000 1.0079 - 3660 SYS 1220 WAT H2 B 0.417000 1.0079 - 3661 SYS 1221 WAT O1 D -0.834000 15.9994 - 3662 SYS 1221 WAT H1 B 0.417000 1.0079 - 3663 SYS 1221 WAT H2 B 0.417000 1.0079 - 3664 SYS 1222 WAT O1 D -0.834000 15.9994 - 3665 SYS 1222 WAT H1 B 0.417000 1.0079 - 3666 SYS 1222 WAT H2 B 0.417000 1.0079 - 3667 SYS 1223 WAT O1 D -0.834000 15.9994 - 3668 SYS 1223 WAT H1 B 0.417000 1.0079 - 3669 SYS 1223 WAT H2 B 0.417000 1.0079 - 3670 SYS 1224 WAT O1 D -0.834000 15.9994 - 3671 SYS 1224 WAT H1 B 0.417000 1.0079 - 3672 SYS 1224 WAT H2 B 0.417000 1.0079 - 3673 SYS 1225 WAT O1 D -0.834000 15.9994 - 3674 SYS 1225 WAT H1 B 0.417000 1.0079 - 3675 SYS 1225 WAT H2 B 0.417000 1.0079 - 3676 SYS 1226 WAT O1 D -0.834000 15.9994 - 3677 SYS 1226 WAT H1 B 0.417000 1.0079 - 3678 SYS 1226 WAT H2 B 0.417000 1.0079 - 3679 SYS 1227 WAT O1 D -0.834000 15.9994 - 3680 SYS 1227 WAT H1 B 0.417000 1.0079 - 3681 SYS 1227 WAT H2 B 0.417000 1.0079 - 3682 SYS 1228 WAT O1 D -0.834000 15.9994 - 3683 SYS 1228 WAT H1 B 0.417000 1.0079 - 3684 SYS 1228 WAT H2 B 0.417000 1.0079 - 3685 SYS 1229 WAT O1 D -0.834000 15.9994 - 3686 SYS 1229 WAT H1 B 0.417000 1.0079 - 3687 SYS 1229 WAT H2 B 0.417000 1.0079 - 3688 SYS 1230 WAT O1 D -0.834000 15.9994 - 3689 SYS 1230 WAT H1 B 0.417000 1.0079 - 3690 SYS 1230 WAT H2 B 0.417000 1.0079 - 3691 SYS 1231 WAT O1 D -0.834000 15.9994 - 3692 SYS 1231 WAT H1 B 0.417000 1.0079 - 3693 SYS 1231 WAT H2 B 0.417000 1.0079 - 3694 SYS 1232 WAT O1 D -0.834000 15.9994 - 3695 SYS 1232 WAT H1 B 0.417000 1.0079 - 3696 SYS 1232 WAT H2 B 0.417000 1.0079 - 3697 SYS 1233 WAT O1 D -0.834000 15.9994 - 3698 SYS 1233 WAT H1 B 0.417000 1.0079 - 3699 SYS 1233 WAT H2 B 0.417000 1.0079 - 3700 SYS 1234 WAT O1 D -0.834000 15.9994 - 3701 SYS 1234 WAT H1 B 0.417000 1.0079 - 3702 SYS 1234 WAT H2 B 0.417000 1.0079 - 3703 SYS 1235 WAT O1 D -0.834000 15.9994 - 3704 SYS 1235 WAT H1 B 0.417000 1.0079 - 3705 SYS 1235 WAT H2 B 0.417000 1.0079 - 3706 SYS 1236 WAT O1 D -0.834000 15.9994 - 3707 SYS 1236 WAT H1 B 0.417000 1.0079 - 3708 SYS 1236 WAT H2 B 0.417000 1.0079 - 3709 SYS 1237 WAT O1 D -0.834000 15.9994 - 3710 SYS 1237 WAT H1 B 0.417000 1.0079 - 3711 SYS 1237 WAT H2 B 0.417000 1.0079 - 3712 SYS 1238 WAT O1 D -0.834000 15.9994 - 3713 SYS 1238 WAT H1 B 0.417000 1.0079 - 3714 SYS 1238 WAT H2 B 0.417000 1.0079 - 3715 SYS 1239 WAT O1 D -0.834000 15.9994 - 3716 SYS 1239 WAT H1 B 0.417000 1.0079 - 3717 SYS 1239 WAT H2 B 0.417000 1.0079 - 3718 SYS 1240 WAT O1 D -0.834000 15.9994 - 3719 SYS 1240 WAT H1 B 0.417000 1.0079 - 3720 SYS 1240 WAT H2 B 0.417000 1.0079 - 3721 SYS 1241 WAT O1 D -0.834000 15.9994 - 3722 SYS 1241 WAT H1 B 0.417000 1.0079 - 3723 SYS 1241 WAT H2 B 0.417000 1.0079 - 3724 SYS 1242 WAT O1 D -0.834000 15.9994 - 3725 SYS 1242 WAT H1 B 0.417000 1.0079 - 3726 SYS 1242 WAT H2 B 0.417000 1.0079 - 3727 SYS 1243 WAT O1 D -0.834000 15.9994 - 3728 SYS 1243 WAT H1 B 0.417000 1.0079 - 3729 SYS 1243 WAT H2 B 0.417000 1.0079 - 3730 SYS 1244 WAT O1 D -0.834000 15.9994 - 3731 SYS 1244 WAT H1 B 0.417000 1.0079 - 3732 SYS 1244 WAT H2 B 0.417000 1.0079 - 3733 SYS 1245 WAT O1 D -0.834000 15.9994 - 3734 SYS 1245 WAT H1 B 0.417000 1.0079 - 3735 SYS 1245 WAT H2 B 0.417000 1.0079 - 3736 SYS 1246 WAT O1 D -0.834000 15.9994 - 3737 SYS 1246 WAT H1 B 0.417000 1.0079 - 3738 SYS 1246 WAT H2 B 0.417000 1.0079 - 3739 SYS 1247 WAT O1 D -0.834000 15.9994 - 3740 SYS 1247 WAT H1 B 0.417000 1.0079 - 3741 SYS 1247 WAT H2 B 0.417000 1.0079 - 3742 SYS 1248 WAT O1 D -0.834000 15.9994 - 3743 SYS 1248 WAT H1 B 0.417000 1.0079 - 3744 SYS 1248 WAT H2 B 0.417000 1.0079 - 3745 SYS 1249 WAT O1 D -0.834000 15.9994 - 3746 SYS 1249 WAT H1 B 0.417000 1.0079 - 3747 SYS 1249 WAT H2 B 0.417000 1.0079 - 3748 SYS 1250 WAT O1 D -0.834000 15.9994 - 3749 SYS 1250 WAT H1 B 0.417000 1.0079 - 3750 SYS 1250 WAT H2 B 0.417000 1.0079 - 3751 SYS 1251 WAT O1 D -0.834000 15.9994 - 3752 SYS 1251 WAT H1 B 0.417000 1.0079 - 3753 SYS 1251 WAT H2 B 0.417000 1.0079 - 3754 SYS 1252 WAT O1 D -0.834000 15.9994 - 3755 SYS 1252 WAT H1 B 0.417000 1.0079 - 3756 SYS 1252 WAT H2 B 0.417000 1.0079 - 3757 SYS 1253 WAT O1 D -0.834000 15.9994 - 3758 SYS 1253 WAT H1 B 0.417000 1.0079 - 3759 SYS 1253 WAT H2 B 0.417000 1.0079 - 3760 SYS 1254 WAT O1 D -0.834000 15.9994 - 3761 SYS 1254 WAT H1 B 0.417000 1.0079 - 3762 SYS 1254 WAT H2 B 0.417000 1.0079 - 3763 SYS 1255 WAT O1 D -0.834000 15.9994 - 3764 SYS 1255 WAT H1 B 0.417000 1.0079 - 3765 SYS 1255 WAT H2 B 0.417000 1.0079 - 3766 SYS 1256 WAT O1 D -0.834000 15.9994 - 3767 SYS 1256 WAT H1 B 0.417000 1.0079 - 3768 SYS 1256 WAT H2 B 0.417000 1.0079 - 3769 SYS 1257 WAT O1 D -0.834000 15.9994 - 3770 SYS 1257 WAT H1 B 0.417000 1.0079 - 3771 SYS 1257 WAT H2 B 0.417000 1.0079 - 3772 SYS 1258 WAT O1 D -0.834000 15.9994 - 3773 SYS 1258 WAT H1 B 0.417000 1.0079 - 3774 SYS 1258 WAT H2 B 0.417000 1.0079 - 3775 SYS 1259 WAT O1 D -0.834000 15.9994 - 3776 SYS 1259 WAT H1 B 0.417000 1.0079 - 3777 SYS 1259 WAT H2 B 0.417000 1.0079 - 3778 SYS 1260 WAT O1 D -0.834000 15.9994 - 3779 SYS 1260 WAT H1 B 0.417000 1.0079 - 3780 SYS 1260 WAT H2 B 0.417000 1.0079 - 3781 SYS 1261 WAT O1 D -0.834000 15.9994 - 3782 SYS 1261 WAT H1 B 0.417000 1.0079 - 3783 SYS 1261 WAT H2 B 0.417000 1.0079 - 3784 SYS 1262 WAT O1 D -0.834000 15.9994 - 3785 SYS 1262 WAT H1 B 0.417000 1.0079 - 3786 SYS 1262 WAT H2 B 0.417000 1.0079 - 3787 SYS 1263 WAT O1 D -0.834000 15.9994 - 3788 SYS 1263 WAT H1 B 0.417000 1.0079 - 3789 SYS 1263 WAT H2 B 0.417000 1.0079 - 3790 SYS 1264 WAT O1 D -0.834000 15.9994 - 3791 SYS 1264 WAT H1 B 0.417000 1.0079 - 3792 SYS 1264 WAT H2 B 0.417000 1.0079 - 3793 SYS 1265 WAT O1 D -0.834000 15.9994 - 3794 SYS 1265 WAT H1 B 0.417000 1.0079 - 3795 SYS 1265 WAT H2 B 0.417000 1.0079 - 3796 SYS 1266 WAT O1 D -0.834000 15.9994 - 3797 SYS 1266 WAT H1 B 0.417000 1.0079 - 3798 SYS 1266 WAT H2 B 0.417000 1.0079 - 3799 SYS 1267 WAT O1 D -0.834000 15.9994 - 3800 SYS 1267 WAT H1 B 0.417000 1.0079 - 3801 SYS 1267 WAT H2 B 0.417000 1.0079 - 3802 SYS 1268 WAT O1 D -0.834000 15.9994 - 3803 SYS 1268 WAT H1 B 0.417000 1.0079 - 3804 SYS 1268 WAT H2 B 0.417000 1.0079 - 3805 SYS 1269 WAT O1 D -0.834000 15.9994 - 3806 SYS 1269 WAT H1 B 0.417000 1.0079 - 3807 SYS 1269 WAT H2 B 0.417000 1.0079 - 3808 SYS 1270 WAT O1 D -0.834000 15.9994 - 3809 SYS 1270 WAT H1 B 0.417000 1.0079 - 3810 SYS 1270 WAT H2 B 0.417000 1.0079 - 3811 SYS 1271 WAT O1 D -0.834000 15.9994 - 3812 SYS 1271 WAT H1 B 0.417000 1.0079 - 3813 SYS 1271 WAT H2 B 0.417000 1.0079 - 3814 SYS 1272 WAT O1 D -0.834000 15.9994 - 3815 SYS 1272 WAT H1 B 0.417000 1.0079 - 3816 SYS 1272 WAT H2 B 0.417000 1.0079 - 3817 SYS 1273 WAT O1 D -0.834000 15.9994 - 3818 SYS 1273 WAT H1 B 0.417000 1.0079 - 3819 SYS 1273 WAT H2 B 0.417000 1.0079 - 3820 SYS 1274 WAT O1 D -0.834000 15.9994 - 3821 SYS 1274 WAT H1 B 0.417000 1.0079 - 3822 SYS 1274 WAT H2 B 0.417000 1.0079 - 3823 SYS 1275 WAT O1 D -0.834000 15.9994 - 3824 SYS 1275 WAT H1 B 0.417000 1.0079 - 3825 SYS 1275 WAT H2 B 0.417000 1.0079 - 3826 SYS 1276 WAT O1 D -0.834000 15.9994 - 3827 SYS 1276 WAT H1 B 0.417000 1.0079 - 3828 SYS 1276 WAT H2 B 0.417000 1.0079 - 3829 SYS 1277 WAT O1 D -0.834000 15.9994 - 3830 SYS 1277 WAT H1 B 0.417000 1.0079 - 3831 SYS 1277 WAT H2 B 0.417000 1.0079 - 3832 SYS 1278 WAT O1 D -0.834000 15.9994 - 3833 SYS 1278 WAT H1 B 0.417000 1.0079 - 3834 SYS 1278 WAT H2 B 0.417000 1.0079 - 3835 SYS 1279 WAT O1 D -0.834000 15.9994 - 3836 SYS 1279 WAT H1 B 0.417000 1.0079 - 3837 SYS 1279 WAT H2 B 0.417000 1.0079 - 3838 SYS 1280 WAT O1 D -0.834000 15.9994 - 3839 SYS 1280 WAT H1 B 0.417000 1.0079 - 3840 SYS 1280 WAT H2 B 0.417000 1.0079 - 3841 SYS 1281 WAT O1 D -0.834000 15.9994 - 3842 SYS 1281 WAT H1 B 0.417000 1.0079 - 3843 SYS 1281 WAT H2 B 0.417000 1.0079 - 3844 SYS 1282 WAT O1 D -0.834000 15.9994 - 3845 SYS 1282 WAT H1 B 0.417000 1.0079 - 3846 SYS 1282 WAT H2 B 0.417000 1.0079 - 3847 SYS 1283 WAT O1 D -0.834000 15.9994 - 3848 SYS 1283 WAT H1 B 0.417000 1.0079 - 3849 SYS 1283 WAT H2 B 0.417000 1.0079 - 3850 SYS 1284 WAT O1 D -0.834000 15.9994 - 3851 SYS 1284 WAT H1 B 0.417000 1.0079 - 3852 SYS 1284 WAT H2 B 0.417000 1.0079 - 3853 SYS 1285 WAT O1 D -0.834000 15.9994 - 3854 SYS 1285 WAT H1 B 0.417000 1.0079 - 3855 SYS 1285 WAT H2 B 0.417000 1.0079 - 3856 SYS 1286 WAT O1 D -0.834000 15.9994 - 3857 SYS 1286 WAT H1 B 0.417000 1.0079 - 3858 SYS 1286 WAT H2 B 0.417000 1.0079 - 3859 SYS 1287 WAT O1 D -0.834000 15.9994 - 3860 SYS 1287 WAT H1 B 0.417000 1.0079 - 3861 SYS 1287 WAT H2 B 0.417000 1.0079 - 3862 SYS 1288 WAT O1 D -0.834000 15.9994 - 3863 SYS 1288 WAT H1 B 0.417000 1.0079 - 3864 SYS 1288 WAT H2 B 0.417000 1.0079 - 3865 SYS 1289 WAT O1 D -0.834000 15.9994 - 3866 SYS 1289 WAT H1 B 0.417000 1.0079 - 3867 SYS 1289 WAT H2 B 0.417000 1.0079 - 3868 SYS 1290 WAT O1 D -0.834000 15.9994 - 3869 SYS 1290 WAT H1 B 0.417000 1.0079 - 3870 SYS 1290 WAT H2 B 0.417000 1.0079 - 3871 SYS 1291 WAT O1 D -0.834000 15.9994 - 3872 SYS 1291 WAT H1 B 0.417000 1.0079 - 3873 SYS 1291 WAT H2 B 0.417000 1.0079 - 3874 SYS 1292 WAT O1 D -0.834000 15.9994 - 3875 SYS 1292 WAT H1 B 0.417000 1.0079 - 3876 SYS 1292 WAT H2 B 0.417000 1.0079 - 3877 SYS 1293 WAT O1 D -0.834000 15.9994 - 3878 SYS 1293 WAT H1 B 0.417000 1.0079 - 3879 SYS 1293 WAT H2 B 0.417000 1.0079 - 3880 SYS 1294 WAT O1 D -0.834000 15.9994 - 3881 SYS 1294 WAT H1 B 0.417000 1.0079 - 3882 SYS 1294 WAT H2 B 0.417000 1.0079 - 3883 SYS 1295 WAT O1 D -0.834000 15.9994 - 3884 SYS 1295 WAT H1 B 0.417000 1.0079 - 3885 SYS 1295 WAT H2 B 0.417000 1.0079 - 3886 SYS 1296 WAT O1 D -0.834000 15.9994 - 3887 SYS 1296 WAT H1 B 0.417000 1.0079 - 3888 SYS 1296 WAT H2 B 0.417000 1.0079 - 3889 SYS 1297 WAT O1 D -0.834000 15.9994 - 3890 SYS 1297 WAT H1 B 0.417000 1.0079 - 3891 SYS 1297 WAT H2 B 0.417000 1.0079 - 3892 SYS 1298 WAT O1 D -0.834000 15.9994 - 3893 SYS 1298 WAT H1 B 0.417000 1.0079 - 3894 SYS 1298 WAT H2 B 0.417000 1.0079 - 3895 SYS 1299 WAT O1 D -0.834000 15.9994 - 3896 SYS 1299 WAT H1 B 0.417000 1.0079 - 3897 SYS 1299 WAT H2 B 0.417000 1.0079 - 3898 SYS 1300 WAT O1 D -0.834000 15.9994 - 3899 SYS 1300 WAT H1 B 0.417000 1.0079 - 3900 SYS 1300 WAT H2 B 0.417000 1.0079 - 3901 SYS 1301 WAT O1 D -0.834000 15.9994 - 3902 SYS 1301 WAT H1 B 0.417000 1.0079 - 3903 SYS 1301 WAT H2 B 0.417000 1.0079 - 3904 SYS 1302 WAT O1 D -0.834000 15.9994 - 3905 SYS 1302 WAT H1 B 0.417000 1.0079 - 3906 SYS 1302 WAT H2 B 0.417000 1.0079 - 3907 SYS 1303 WAT O1 D -0.834000 15.9994 - 3908 SYS 1303 WAT H1 B 0.417000 1.0079 - 3909 SYS 1303 WAT H2 B 0.417000 1.0079 - 3910 SYS 1304 WAT O1 D -0.834000 15.9994 - 3911 SYS 1304 WAT H1 B 0.417000 1.0079 - 3912 SYS 1304 WAT H2 B 0.417000 1.0079 - 3913 SYS 1305 WAT O1 D -0.834000 15.9994 - 3914 SYS 1305 WAT H1 B 0.417000 1.0079 - 3915 SYS 1305 WAT H2 B 0.417000 1.0079 - 3916 SYS 1306 WAT O1 D -0.834000 15.9994 - 3917 SYS 1306 WAT H1 B 0.417000 1.0079 - 3918 SYS 1306 WAT H2 B 0.417000 1.0079 - 3919 SYS 1307 WAT O1 D -0.834000 15.9994 - 3920 SYS 1307 WAT H1 B 0.417000 1.0079 - 3921 SYS 1307 WAT H2 B 0.417000 1.0079 - 3922 SYS 1308 WAT O1 D -0.834000 15.9994 - 3923 SYS 1308 WAT H1 B 0.417000 1.0079 - 3924 SYS 1308 WAT H2 B 0.417000 1.0079 - 3925 SYS 1309 WAT O1 D -0.834000 15.9994 - 3926 SYS 1309 WAT H1 B 0.417000 1.0079 - 3927 SYS 1309 WAT H2 B 0.417000 1.0079 - 3928 SYS 1310 WAT O1 D -0.834000 15.9994 - 3929 SYS 1310 WAT H1 B 0.417000 1.0079 - 3930 SYS 1310 WAT H2 B 0.417000 1.0079 - 3931 SYS 1311 WAT O1 D -0.834000 15.9994 - 3932 SYS 1311 WAT H1 B 0.417000 1.0079 - 3933 SYS 1311 WAT H2 B 0.417000 1.0079 - 3934 SYS 1312 WAT O1 D -0.834000 15.9994 - 3935 SYS 1312 WAT H1 B 0.417000 1.0079 - 3936 SYS 1312 WAT H2 B 0.417000 1.0079 - 3937 SYS 1313 WAT O1 D -0.834000 15.9994 - 3938 SYS 1313 WAT H1 B 0.417000 1.0079 - 3939 SYS 1313 WAT H2 B 0.417000 1.0079 - 3940 SYS 1314 WAT O1 D -0.834000 15.9994 - 3941 SYS 1314 WAT H1 B 0.417000 1.0079 - 3942 SYS 1314 WAT H2 B 0.417000 1.0079 - 3943 SYS 1315 WAT O1 D -0.834000 15.9994 - 3944 SYS 1315 WAT H1 B 0.417000 1.0079 - 3945 SYS 1315 WAT H2 B 0.417000 1.0079 - 3946 SYS 1316 WAT O1 D -0.834000 15.9994 - 3947 SYS 1316 WAT H1 B 0.417000 1.0079 - 3948 SYS 1316 WAT H2 B 0.417000 1.0079 - 3949 SYS 1317 WAT O1 D -0.834000 15.9994 - 3950 SYS 1317 WAT H1 B 0.417000 1.0079 - 3951 SYS 1317 WAT H2 B 0.417000 1.0079 - 3952 SYS 1318 WAT O1 D -0.834000 15.9994 - 3953 SYS 1318 WAT H1 B 0.417000 1.0079 - 3954 SYS 1318 WAT H2 B 0.417000 1.0079 - 3955 SYS 1319 WAT O1 D -0.834000 15.9994 - 3956 SYS 1319 WAT H1 B 0.417000 1.0079 - 3957 SYS 1319 WAT H2 B 0.417000 1.0079 - 3958 SYS 1320 WAT O1 D -0.834000 15.9994 - 3959 SYS 1320 WAT H1 B 0.417000 1.0079 - 3960 SYS 1320 WAT H2 B 0.417000 1.0079 - 3961 SYS 1321 WAT O1 D -0.834000 15.9994 - 3962 SYS 1321 WAT H1 B 0.417000 1.0079 - 3963 SYS 1321 WAT H2 B 0.417000 1.0079 - 3964 SYS 1322 WAT O1 D -0.834000 15.9994 - 3965 SYS 1322 WAT H1 B 0.417000 1.0079 - 3966 SYS 1322 WAT H2 B 0.417000 1.0079 - 3967 SYS 1323 WAT O1 D -0.834000 15.9994 - 3968 SYS 1323 WAT H1 B 0.417000 1.0079 - 3969 SYS 1323 WAT H2 B 0.417000 1.0079 - 3970 SYS 1324 WAT O1 D -0.834000 15.9994 - 3971 SYS 1324 WAT H1 B 0.417000 1.0079 - 3972 SYS 1324 WAT H2 B 0.417000 1.0079 - 3973 SYS 1325 WAT O1 D -0.834000 15.9994 - 3974 SYS 1325 WAT H1 B 0.417000 1.0079 - 3975 SYS 1325 WAT H2 B 0.417000 1.0079 - 3976 SYS 1326 WAT O1 D -0.834000 15.9994 - 3977 SYS 1326 WAT H1 B 0.417000 1.0079 - 3978 SYS 1326 WAT H2 B 0.417000 1.0079 - 3979 SYS 1327 WAT O1 D -0.834000 15.9994 - 3980 SYS 1327 WAT H1 B 0.417000 1.0079 - 3981 SYS 1327 WAT H2 B 0.417000 1.0079 - 3982 SYS 1328 WAT O1 D -0.834000 15.9994 - 3983 SYS 1328 WAT H1 B 0.417000 1.0079 - 3984 SYS 1328 WAT H2 B 0.417000 1.0079 - 3985 SYS 1329 WAT O1 D -0.834000 15.9994 - 3986 SYS 1329 WAT H1 B 0.417000 1.0079 - 3987 SYS 1329 WAT H2 B 0.417000 1.0079 - 3988 SYS 1330 WAT O1 D -0.834000 15.9994 - 3989 SYS 1330 WAT H1 B 0.417000 1.0079 - 3990 SYS 1330 WAT H2 B 0.417000 1.0079 - 3991 SYS 1331 WAT O1 D -0.834000 15.9994 - 3992 SYS 1331 WAT H1 B 0.417000 1.0079 - 3993 SYS 1331 WAT H2 B 0.417000 1.0079 - 3994 SYS 1332 WAT O1 D -0.834000 15.9994 - 3995 SYS 1332 WAT H1 B 0.417000 1.0079 - 3996 SYS 1332 WAT H2 B 0.417000 1.0079 - 3997 SYS 1333 WAT O1 D -0.834000 15.9994 - 3998 SYS 1333 WAT H1 B 0.417000 1.0079 - 3999 SYS 1333 WAT H2 B 0.417000 1.0079 - 4000 SYS 1334 WAT O1 D -0.834000 15.9994 - 4001 SYS 1334 WAT H1 B 0.417000 1.0079 - 4002 SYS 1334 WAT H2 B 0.417000 1.0079 - 4003 SYS 1335 WAT O1 D -0.834000 15.9994 - 4004 SYS 1335 WAT H1 B 0.417000 1.0079 - 4005 SYS 1335 WAT H2 B 0.417000 1.0079 - 4006 SYS 1336 WAT O1 D -0.834000 15.9994 - 4007 SYS 1336 WAT H1 B 0.417000 1.0079 - 4008 SYS 1336 WAT H2 B 0.417000 1.0079 - 4009 SYS 1337 WAT O1 D -0.834000 15.9994 - 4010 SYS 1337 WAT H1 B 0.417000 1.0079 - 4011 SYS 1337 WAT H2 B 0.417000 1.0079 - 4012 SYS 1338 WAT O1 D -0.834000 15.9994 - 4013 SYS 1338 WAT H1 B 0.417000 1.0079 - 4014 SYS 1338 WAT H2 B 0.417000 1.0079 - 4015 SYS 1339 WAT O1 D -0.834000 15.9994 - 4016 SYS 1339 WAT H1 B 0.417000 1.0079 - 4017 SYS 1339 WAT H2 B 0.417000 1.0079 - 4018 SYS 1340 WAT O1 D -0.834000 15.9994 - 4019 SYS 1340 WAT H1 B 0.417000 1.0079 - 4020 SYS 1340 WAT H2 B 0.417000 1.0079 - 4021 SYS 1341 WAT O1 D -0.834000 15.9994 - 4022 SYS 1341 WAT H1 B 0.417000 1.0079 - 4023 SYS 1341 WAT H2 B 0.417000 1.0079 - 4024 SYS 1342 WAT O1 D -0.834000 15.9994 - 4025 SYS 1342 WAT H1 B 0.417000 1.0079 - 4026 SYS 1342 WAT H2 B 0.417000 1.0079 - 4027 SYS 1343 WAT O1 D -0.834000 15.9994 - 4028 SYS 1343 WAT H1 B 0.417000 1.0079 - 4029 SYS 1343 WAT H2 B 0.417000 1.0079 - 4030 SYS 1344 WAT O1 D -0.834000 15.9994 - 4031 SYS 1344 WAT H1 B 0.417000 1.0079 - 4032 SYS 1344 WAT H2 B 0.417000 1.0079 - 4033 SYS 1345 WAT O1 D -0.834000 15.9994 - 4034 SYS 1345 WAT H1 B 0.417000 1.0079 - 4035 SYS 1345 WAT H2 B 0.417000 1.0079 - 4036 SYS 1346 WAT O1 D -0.834000 15.9994 - 4037 SYS 1346 WAT H1 B 0.417000 1.0079 - 4038 SYS 1346 WAT H2 B 0.417000 1.0079 - 4039 SYS 1347 WAT O1 D -0.834000 15.9994 - 4040 SYS 1347 WAT H1 B 0.417000 1.0079 - 4041 SYS 1347 WAT H2 B 0.417000 1.0079 - 4042 SYS 1348 WAT O1 D -0.834000 15.9994 - 4043 SYS 1348 WAT H1 B 0.417000 1.0079 - 4044 SYS 1348 WAT H2 B 0.417000 1.0079 - 4045 SYS 1349 WAT O1 D -0.834000 15.9994 - 4046 SYS 1349 WAT H1 B 0.417000 1.0079 - 4047 SYS 1349 WAT H2 B 0.417000 1.0079 - 4048 SYS 1350 WAT O1 D -0.834000 15.9994 - 4049 SYS 1350 WAT H1 B 0.417000 1.0079 - 4050 SYS 1350 WAT H2 B 0.417000 1.0079 - 4051 SYS 1351 WAT O1 D -0.834000 15.9994 - 4052 SYS 1351 WAT H1 B 0.417000 1.0079 - 4053 SYS 1351 WAT H2 B 0.417000 1.0079 - 4054 SYS 1352 WAT O1 D -0.834000 15.9994 - 4055 SYS 1352 WAT H1 B 0.417000 1.0079 - 4056 SYS 1352 WAT H2 B 0.417000 1.0079 - 4057 SYS 1353 WAT O1 D -0.834000 15.9994 - 4058 SYS 1353 WAT H1 B 0.417000 1.0079 - 4059 SYS 1353 WAT H2 B 0.417000 1.0079 - 4060 SYS 1354 WAT O1 D -0.834000 15.9994 - 4061 SYS 1354 WAT H1 B 0.417000 1.0079 - 4062 SYS 1354 WAT H2 B 0.417000 1.0079 - 4063 SYS 1355 WAT O1 D -0.834000 15.9994 - 4064 SYS 1355 WAT H1 B 0.417000 1.0079 - 4065 SYS 1355 WAT H2 B 0.417000 1.0079 - 4066 SYS 1356 WAT O1 D -0.834000 15.9994 - 4067 SYS 1356 WAT H1 B 0.417000 1.0079 - 4068 SYS 1356 WAT H2 B 0.417000 1.0079 - 4069 SYS 1357 WAT O1 D -0.834000 15.9994 - 4070 SYS 1357 WAT H1 B 0.417000 1.0079 - 4071 SYS 1357 WAT H2 B 0.417000 1.0079 - 4072 SYS 1358 WAT O1 D -0.834000 15.9994 - 4073 SYS 1358 WAT H1 B 0.417000 1.0079 - 4074 SYS 1358 WAT H2 B 0.417000 1.0079 - 4075 SYS 1359 WAT O1 D -0.834000 15.9994 - 4076 SYS 1359 WAT H1 B 0.417000 1.0079 - 4077 SYS 1359 WAT H2 B 0.417000 1.0079 - 4078 SYS 1360 WAT O1 D -0.834000 15.9994 - 4079 SYS 1360 WAT H1 B 0.417000 1.0079 - 4080 SYS 1360 WAT H2 B 0.417000 1.0079 - 4081 SYS 1361 WAT O1 D -0.834000 15.9994 - 4082 SYS 1361 WAT H1 B 0.417000 1.0079 - 4083 SYS 1361 WAT H2 B 0.417000 1.0079 - 4084 SYS 1362 WAT O1 D -0.834000 15.9994 - 4085 SYS 1362 WAT H1 B 0.417000 1.0079 - 4086 SYS 1362 WAT H2 B 0.417000 1.0079 - 4087 SYS 1363 WAT O1 D -0.834000 15.9994 - 4088 SYS 1363 WAT H1 B 0.417000 1.0079 - 4089 SYS 1363 WAT H2 B 0.417000 1.0079 - 4090 SYS 1364 WAT O1 D -0.834000 15.9994 - 4091 SYS 1364 WAT H1 B 0.417000 1.0079 - 4092 SYS 1364 WAT H2 B 0.417000 1.0079 - 4093 SYS 1365 WAT O1 D -0.834000 15.9994 - 4094 SYS 1365 WAT H1 B 0.417000 1.0079 - 4095 SYS 1365 WAT H2 B 0.417000 1.0079 - 4096 SYS 1366 WAT O1 D -0.834000 15.9994 - 4097 SYS 1366 WAT H1 B 0.417000 1.0079 - 4098 SYS 1366 WAT H2 B 0.417000 1.0079 - 4099 SYS 1367 WAT O1 D -0.834000 15.9994 - 4100 SYS 1367 WAT H1 B 0.417000 1.0079 - 4101 SYS 1367 WAT H2 B 0.417000 1.0079 - 4102 SYS 1368 WAT O1 D -0.834000 15.9994 - 4103 SYS 1368 WAT H1 B 0.417000 1.0079 - 4104 SYS 1368 WAT H2 B 0.417000 1.0079 - 4105 SYS 1369 WAT O1 D -0.834000 15.9994 - 4106 SYS 1369 WAT H1 B 0.417000 1.0079 - 4107 SYS 1369 WAT H2 B 0.417000 1.0079 - 4108 SYS 1370 WAT O1 D -0.834000 15.9994 - 4109 SYS 1370 WAT H1 B 0.417000 1.0079 - 4110 SYS 1370 WAT H2 B 0.417000 1.0079 - 4111 SYS 1371 WAT O1 D -0.834000 15.9994 - 4112 SYS 1371 WAT H1 B 0.417000 1.0079 - 4113 SYS 1371 WAT H2 B 0.417000 1.0079 - 4114 SYS 1372 WAT O1 D -0.834000 15.9994 - 4115 SYS 1372 WAT H1 B 0.417000 1.0079 - 4116 SYS 1372 WAT H2 B 0.417000 1.0079 - 4117 SYS 1373 WAT O1 D -0.834000 15.9994 - 4118 SYS 1373 WAT H1 B 0.417000 1.0079 - 4119 SYS 1373 WAT H2 B 0.417000 1.0079 - 4120 SYS 1374 WAT O1 D -0.834000 15.9994 - 4121 SYS 1374 WAT H1 B 0.417000 1.0079 - 4122 SYS 1374 WAT H2 B 0.417000 1.0079 - 4123 SYS 1375 WAT O1 D -0.834000 15.9994 - 4124 SYS 1375 WAT H1 B 0.417000 1.0079 - 4125 SYS 1375 WAT H2 B 0.417000 1.0079 - 4126 SYS 1376 WAT O1 D -0.834000 15.9994 - 4127 SYS 1376 WAT H1 B 0.417000 1.0079 - 4128 SYS 1376 WAT H2 B 0.417000 1.0079 - 4129 SYS 1377 WAT O1 D -0.834000 15.9994 - 4130 SYS 1377 WAT H1 B 0.417000 1.0079 - 4131 SYS 1377 WAT H2 B 0.417000 1.0079 - 4132 SYS 1378 WAT O1 D -0.834000 15.9994 - 4133 SYS 1378 WAT H1 B 0.417000 1.0079 - 4134 SYS 1378 WAT H2 B 0.417000 1.0079 - 4135 SYS 1379 WAT O1 D -0.834000 15.9994 - 4136 SYS 1379 WAT H1 B 0.417000 1.0079 - 4137 SYS 1379 WAT H2 B 0.417000 1.0079 - 4138 SYS 1380 WAT O1 D -0.834000 15.9994 - 4139 SYS 1380 WAT H1 B 0.417000 1.0079 - 4140 SYS 1380 WAT H2 B 0.417000 1.0079 - 4141 SYS 1381 WAT O1 D -0.834000 15.9994 - 4142 SYS 1381 WAT H1 B 0.417000 1.0079 - 4143 SYS 1381 WAT H2 B 0.417000 1.0079 - 4144 SYS 1382 WAT O1 D -0.834000 15.9994 - 4145 SYS 1382 WAT H1 B 0.417000 1.0079 - 4146 SYS 1382 WAT H2 B 0.417000 1.0079 - 4147 SYS 1383 WAT O1 D -0.834000 15.9994 - 4148 SYS 1383 WAT H1 B 0.417000 1.0079 - 4149 SYS 1383 WAT H2 B 0.417000 1.0079 - 4150 SYS 1384 WAT O1 D -0.834000 15.9994 - 4151 SYS 1384 WAT H1 B 0.417000 1.0079 - 4152 SYS 1384 WAT H2 B 0.417000 1.0079 - 4153 SYS 1385 WAT O1 D -0.834000 15.9994 - 4154 SYS 1385 WAT H1 B 0.417000 1.0079 - 4155 SYS 1385 WAT H2 B 0.417000 1.0079 - 4156 SYS 1386 WAT O1 D -0.834000 15.9994 - 4157 SYS 1386 WAT H1 B 0.417000 1.0079 - 4158 SYS 1386 WAT H2 B 0.417000 1.0079 - 4159 SYS 1387 WAT O1 D -0.834000 15.9994 - 4160 SYS 1387 WAT H1 B 0.417000 1.0079 - 4161 SYS 1387 WAT H2 B 0.417000 1.0079 - 4162 SYS 1388 WAT O1 D -0.834000 15.9994 - 4163 SYS 1388 WAT H1 B 0.417000 1.0079 - 4164 SYS 1388 WAT H2 B 0.417000 1.0079 - 4165 SYS 1389 WAT O1 D -0.834000 15.9994 - 4166 SYS 1389 WAT H1 B 0.417000 1.0079 - 4167 SYS 1389 WAT H2 B 0.417000 1.0079 - 4168 SYS 1390 WAT O1 D -0.834000 15.9994 - 4169 SYS 1390 WAT H1 B 0.417000 1.0079 - 4170 SYS 1390 WAT H2 B 0.417000 1.0079 - 4171 SYS 1391 WAT O1 D -0.834000 15.9994 - 4172 SYS 1391 WAT H1 B 0.417000 1.0079 - 4173 SYS 1391 WAT H2 B 0.417000 1.0079 - 4174 SYS 1392 WAT O1 D -0.834000 15.9994 - 4175 SYS 1392 WAT H1 B 0.417000 1.0079 - 4176 SYS 1392 WAT H2 B 0.417000 1.0079 - 4177 SYS 1393 WAT O1 D -0.834000 15.9994 - 4178 SYS 1393 WAT H1 B 0.417000 1.0079 - 4179 SYS 1393 WAT H2 B 0.417000 1.0079 - 4180 SYS 1394 WAT O1 D -0.834000 15.9994 - 4181 SYS 1394 WAT H1 B 0.417000 1.0079 - 4182 SYS 1394 WAT H2 B 0.417000 1.0079 - 4183 SYS 1395 WAT O1 D -0.834000 15.9994 - 4184 SYS 1395 WAT H1 B 0.417000 1.0079 - 4185 SYS 1395 WAT H2 B 0.417000 1.0079 - 4186 SYS 1396 WAT O1 D -0.834000 15.9994 - 4187 SYS 1396 WAT H1 B 0.417000 1.0079 - 4188 SYS 1396 WAT H2 B 0.417000 1.0079 - 4189 SYS 1397 WAT O1 D -0.834000 15.9994 - 4190 SYS 1397 WAT H1 B 0.417000 1.0079 - 4191 SYS 1397 WAT H2 B 0.417000 1.0079 - 4192 SYS 1398 WAT O1 D -0.834000 15.9994 - 4193 SYS 1398 WAT H1 B 0.417000 1.0079 - 4194 SYS 1398 WAT H2 B 0.417000 1.0079 - 4195 SYS 1399 WAT O1 D -0.834000 15.9994 - 4196 SYS 1399 WAT H1 B 0.417000 1.0079 - 4197 SYS 1399 WAT H2 B 0.417000 1.0079 - 4198 SYS 1400 WAT O1 D -0.834000 15.9994 - 4199 SYS 1400 WAT H1 B 0.417000 1.0079 - 4200 SYS 1400 WAT H2 B 0.417000 1.0079 - 4201 SYS 1401 WAT O1 D -0.834000 15.9994 - 4202 SYS 1401 WAT H1 B 0.417000 1.0079 - 4203 SYS 1401 WAT H2 B 0.417000 1.0079 - 4204 SYS 1402 WAT O1 D -0.834000 15.9994 - 4205 SYS 1402 WAT H1 B 0.417000 1.0079 - 4206 SYS 1402 WAT H2 B 0.417000 1.0079 - 4207 SYS 1403 WAT O1 D -0.834000 15.9994 - 4208 SYS 1403 WAT H1 B 0.417000 1.0079 - 4209 SYS 1403 WAT H2 B 0.417000 1.0079 - 4210 SYS 1404 WAT O1 D -0.834000 15.9994 - 4211 SYS 1404 WAT H1 B 0.417000 1.0079 - 4212 SYS 1404 WAT H2 B 0.417000 1.0079 - 4213 SYS 1405 WAT O1 D -0.834000 15.9994 - 4214 SYS 1405 WAT H1 B 0.417000 1.0079 - 4215 SYS 1405 WAT H2 B 0.417000 1.0079 - 4216 SYS 1406 WAT O1 D -0.834000 15.9994 - 4217 SYS 1406 WAT H1 B 0.417000 1.0079 - 4218 SYS 1406 WAT H2 B 0.417000 1.0079 - 4219 SYS 1407 WAT O1 D -0.834000 15.9994 - 4220 SYS 1407 WAT H1 B 0.417000 1.0079 - 4221 SYS 1407 WAT H2 B 0.417000 1.0079 - 4222 SYS 1408 WAT O1 D -0.834000 15.9994 - 4223 SYS 1408 WAT H1 B 0.417000 1.0079 - 4224 SYS 1408 WAT H2 B 0.417000 1.0079 - 4225 SYS 1409 WAT O1 D -0.834000 15.9994 - 4226 SYS 1409 WAT H1 B 0.417000 1.0079 - 4227 SYS 1409 WAT H2 B 0.417000 1.0079 - 4228 SYS 1410 WAT O1 D -0.834000 15.9994 - 4229 SYS 1410 WAT H1 B 0.417000 1.0079 - 4230 SYS 1410 WAT H2 B 0.417000 1.0079 - 4231 SYS 1411 WAT O1 D -0.834000 15.9994 - 4232 SYS 1411 WAT H1 B 0.417000 1.0079 - 4233 SYS 1411 WAT H2 B 0.417000 1.0079 - 4234 SYS 1412 WAT O1 D -0.834000 15.9994 - 4235 SYS 1412 WAT H1 B 0.417000 1.0079 - 4236 SYS 1412 WAT H2 B 0.417000 1.0079 - 4237 SYS 1413 WAT O1 D -0.834000 15.9994 - 4238 SYS 1413 WAT H1 B 0.417000 1.0079 - 4239 SYS 1413 WAT H2 B 0.417000 1.0079 - 4240 SYS 1414 WAT O1 D -0.834000 15.9994 - 4241 SYS 1414 WAT H1 B 0.417000 1.0079 - 4242 SYS 1414 WAT H2 B 0.417000 1.0079 - 4243 SYS 1415 WAT O1 D -0.834000 15.9994 - 4244 SYS 1415 WAT H1 B 0.417000 1.0079 - 4245 SYS 1415 WAT H2 B 0.417000 1.0079 - 4246 SYS 1416 WAT O1 D -0.834000 15.9994 - 4247 SYS 1416 WAT H1 B 0.417000 1.0079 - 4248 SYS 1416 WAT H2 B 0.417000 1.0079 - 4249 SYS 1417 WAT O1 D -0.834000 15.9994 - 4250 SYS 1417 WAT H1 B 0.417000 1.0079 - 4251 SYS 1417 WAT H2 B 0.417000 1.0079 - 4252 SYS 1418 WAT O1 D -0.834000 15.9994 - 4253 SYS 1418 WAT H1 B 0.417000 1.0079 - 4254 SYS 1418 WAT H2 B 0.417000 1.0079 - 4255 SYS 1419 WAT O1 D -0.834000 15.9994 - 4256 SYS 1419 WAT H1 B 0.417000 1.0079 - 4257 SYS 1419 WAT H2 B 0.417000 1.0079 - 4258 SYS 1420 WAT O1 D -0.834000 15.9994 - 4259 SYS 1420 WAT H1 B 0.417000 1.0079 - 4260 SYS 1420 WAT H2 B 0.417000 1.0079 - 4261 SYS 1421 WAT O1 D -0.834000 15.9994 - 4262 SYS 1421 WAT H1 B 0.417000 1.0079 - 4263 SYS 1421 WAT H2 B 0.417000 1.0079 - 4264 SYS 1422 WAT O1 D -0.834000 15.9994 - 4265 SYS 1422 WAT H1 B 0.417000 1.0079 - 4266 SYS 1422 WAT H2 B 0.417000 1.0079 - 4267 SYS 1423 WAT O1 D -0.834000 15.9994 - 4268 SYS 1423 WAT H1 B 0.417000 1.0079 - 4269 SYS 1423 WAT H2 B 0.417000 1.0079 - 4270 SYS 1424 WAT O1 D -0.834000 15.9994 - 4271 SYS 1424 WAT H1 B 0.417000 1.0079 - 4272 SYS 1424 WAT H2 B 0.417000 1.0079 - 4273 SYS 1425 WAT O1 D -0.834000 15.9994 - 4274 SYS 1425 WAT H1 B 0.417000 1.0079 - 4275 SYS 1425 WAT H2 B 0.417000 1.0079 - 4276 SYS 1426 WAT O1 D -0.834000 15.9994 - 4277 SYS 1426 WAT H1 B 0.417000 1.0079 - 4278 SYS 1426 WAT H2 B 0.417000 1.0079 - 4279 SYS 1427 WAT O1 D -0.834000 15.9994 - 4280 SYS 1427 WAT H1 B 0.417000 1.0079 - 4281 SYS 1427 WAT H2 B 0.417000 1.0079 - 4282 SYS 1428 WAT O1 D -0.834000 15.9994 - 4283 SYS 1428 WAT H1 B 0.417000 1.0079 - 4284 SYS 1428 WAT H2 B 0.417000 1.0079 - 4285 SYS 1429 WAT O1 D -0.834000 15.9994 - 4286 SYS 1429 WAT H1 B 0.417000 1.0079 - 4287 SYS 1429 WAT H2 B 0.417000 1.0079 - 4288 SYS 1430 WAT O1 D -0.834000 15.9994 - 4289 SYS 1430 WAT H1 B 0.417000 1.0079 - 4290 SYS 1430 WAT H2 B 0.417000 1.0079 - 4291 SYS 1431 WAT O1 D -0.834000 15.9994 - 4292 SYS 1431 WAT H1 B 0.417000 1.0079 - 4293 SYS 1431 WAT H2 B 0.417000 1.0079 - 4294 SYS 1432 WAT O1 D -0.834000 15.9994 - 4295 SYS 1432 WAT H1 B 0.417000 1.0079 - 4296 SYS 1432 WAT H2 B 0.417000 1.0079 - 4297 SYS 1433 WAT O1 D -0.834000 15.9994 - 4298 SYS 1433 WAT H1 B 0.417000 1.0079 - 4299 SYS 1433 WAT H2 B 0.417000 1.0079 - 4300 SYS 1434 WAT O1 D -0.834000 15.9994 - 4301 SYS 1434 WAT H1 B 0.417000 1.0079 - 4302 SYS 1434 WAT H2 B 0.417000 1.0079 - 4303 SYS 1435 WAT O1 D -0.834000 15.9994 - 4304 SYS 1435 WAT H1 B 0.417000 1.0079 - 4305 SYS 1435 WAT H2 B 0.417000 1.0079 - 4306 SYS 1436 WAT O1 D -0.834000 15.9994 - 4307 SYS 1436 WAT H1 B 0.417000 1.0079 - 4308 SYS 1436 WAT H2 B 0.417000 1.0079 - 4309 SYS 1437 WAT O1 D -0.834000 15.9994 - 4310 SYS 1437 WAT H1 B 0.417000 1.0079 - 4311 SYS 1437 WAT H2 B 0.417000 1.0079 - 4312 SYS 1438 WAT O1 D -0.834000 15.9994 - 4313 SYS 1438 WAT H1 B 0.417000 1.0079 - 4314 SYS 1438 WAT H2 B 0.417000 1.0079 - 4315 SYS 1439 WAT O1 D -0.834000 15.9994 - 4316 SYS 1439 WAT H1 B 0.417000 1.0079 - 4317 SYS 1439 WAT H2 B 0.417000 1.0079 - 4318 SYS 1440 WAT O1 D -0.834000 15.9994 - 4319 SYS 1440 WAT H1 B 0.417000 1.0079 - 4320 SYS 1440 WAT H2 B 0.417000 1.0079 - 4321 SYS 1441 WAT O1 D -0.834000 15.9994 - 4322 SYS 1441 WAT H1 B 0.417000 1.0079 - 4323 SYS 1441 WAT H2 B 0.417000 1.0079 - 4324 SYS 1442 WAT O1 D -0.834000 15.9994 - 4325 SYS 1442 WAT H1 B 0.417000 1.0079 - 4326 SYS 1442 WAT H2 B 0.417000 1.0079 - 4327 SYS 1443 WAT O1 D -0.834000 15.9994 - 4328 SYS 1443 WAT H1 B 0.417000 1.0079 - 4329 SYS 1443 WAT H2 B 0.417000 1.0079 - 4330 SYS 1444 WAT O1 D -0.834000 15.9994 - 4331 SYS 1444 WAT H1 B 0.417000 1.0079 - 4332 SYS 1444 WAT H2 B 0.417000 1.0079 - 4333 SYS 1445 WAT O1 D -0.834000 15.9994 - 4334 SYS 1445 WAT H1 B 0.417000 1.0079 - 4335 SYS 1445 WAT H2 B 0.417000 1.0079 - 4336 SYS 1446 WAT O1 D -0.834000 15.9994 - 4337 SYS 1446 WAT H1 B 0.417000 1.0079 - 4338 SYS 1446 WAT H2 B 0.417000 1.0079 - 4339 SYS 1447 WAT O1 D -0.834000 15.9994 - 4340 SYS 1447 WAT H1 B 0.417000 1.0079 - 4341 SYS 1447 WAT H2 B 0.417000 1.0079 - 4342 SYS 1448 WAT O1 D -0.834000 15.9994 - 4343 SYS 1448 WAT H1 B 0.417000 1.0079 - 4344 SYS 1448 WAT H2 B 0.417000 1.0079 - 4345 SYS 1449 WAT O1 D -0.834000 15.9994 - 4346 SYS 1449 WAT H1 B 0.417000 1.0079 - 4347 SYS 1449 WAT H2 B 0.417000 1.0079 - 4348 SYS 1450 WAT O1 D -0.834000 15.9994 - 4349 SYS 1450 WAT H1 B 0.417000 1.0079 - 4350 SYS 1450 WAT H2 B 0.417000 1.0079 - 4351 SYS 1451 WAT O1 D -0.834000 15.9994 - 4352 SYS 1451 WAT H1 B 0.417000 1.0079 - 4353 SYS 1451 WAT H2 B 0.417000 1.0079 - 4354 SYS 1452 WAT O1 D -0.834000 15.9994 - 4355 SYS 1452 WAT H1 B 0.417000 1.0079 - 4356 SYS 1452 WAT H2 B 0.417000 1.0079 - 4357 SYS 1453 WAT O1 D -0.834000 15.9994 - 4358 SYS 1453 WAT H1 B 0.417000 1.0079 - 4359 SYS 1453 WAT H2 B 0.417000 1.0079 - 4360 SYS 1454 WAT O1 D -0.834000 15.9994 - 4361 SYS 1454 WAT H1 B 0.417000 1.0079 - 4362 SYS 1454 WAT H2 B 0.417000 1.0079 - 4363 SYS 1455 WAT O1 D -0.834000 15.9994 - 4364 SYS 1455 WAT H1 B 0.417000 1.0079 - 4365 SYS 1455 WAT H2 B 0.417000 1.0079 - 4366 SYS 1456 WAT O1 D -0.834000 15.9994 - 4367 SYS 1456 WAT H1 B 0.417000 1.0079 - 4368 SYS 1456 WAT H2 B 0.417000 1.0079 - 4369 SYS 1457 WAT O1 D -0.834000 15.9994 - 4370 SYS 1457 WAT H1 B 0.417000 1.0079 - 4371 SYS 1457 WAT H2 B 0.417000 1.0079 - 4372 SYS 1458 WAT O1 D -0.834000 15.9994 - 4373 SYS 1458 WAT H1 B 0.417000 1.0079 - 4374 SYS 1458 WAT H2 B 0.417000 1.0079 - 4375 SYS 1459 WAT O1 D -0.834000 15.9994 - 4376 SYS 1459 WAT H1 B 0.417000 1.0079 - 4377 SYS 1459 WAT H2 B 0.417000 1.0079 - 4378 SYS 1460 WAT O1 D -0.834000 15.9994 - 4379 SYS 1460 WAT H1 B 0.417000 1.0079 - 4380 SYS 1460 WAT H2 B 0.417000 1.0079 - 4381 SYS 1461 WAT O1 D -0.834000 15.9994 - 4382 SYS 1461 WAT H1 B 0.417000 1.0079 - 4383 SYS 1461 WAT H2 B 0.417000 1.0079 - 4384 SYS 1462 WAT O1 D -0.834000 15.9994 - 4385 SYS 1462 WAT H1 B 0.417000 1.0079 - 4386 SYS 1462 WAT H2 B 0.417000 1.0079 - 4387 SYS 1463 WAT O1 D -0.834000 15.9994 - 4388 SYS 1463 WAT H1 B 0.417000 1.0079 - 4389 SYS 1463 WAT H2 B 0.417000 1.0079 - 4390 SYS 1464 WAT O1 D -0.834000 15.9994 - 4391 SYS 1464 WAT H1 B 0.417000 1.0079 - 4392 SYS 1464 WAT H2 B 0.417000 1.0079 - 4393 SYS 1465 WAT O1 D -0.834000 15.9994 - 4394 SYS 1465 WAT H1 B 0.417000 1.0079 - 4395 SYS 1465 WAT H2 B 0.417000 1.0079 - 4396 SYS 1466 WAT O1 D -0.834000 15.9994 - 4397 SYS 1466 WAT H1 B 0.417000 1.0079 - 4398 SYS 1466 WAT H2 B 0.417000 1.0079 - 4399 SYS 1467 WAT O1 D -0.834000 15.9994 - 4400 SYS 1467 WAT H1 B 0.417000 1.0079 - 4401 SYS 1467 WAT H2 B 0.417000 1.0079 - 4402 SYS 1468 WAT O1 D -0.834000 15.9994 - 4403 SYS 1468 WAT H1 B 0.417000 1.0079 - 4404 SYS 1468 WAT H2 B 0.417000 1.0079 - 4405 SYS 1469 WAT O1 D -0.834000 15.9994 - 4406 SYS 1469 WAT H1 B 0.417000 1.0079 - 4407 SYS 1469 WAT H2 B 0.417000 1.0079 - 4408 SYS 1470 WAT O1 D -0.834000 15.9994 - 4409 SYS 1470 WAT H1 B 0.417000 1.0079 - 4410 SYS 1470 WAT H2 B 0.417000 1.0079 - 4411 SYS 1471 WAT O1 D -0.834000 15.9994 - 4412 SYS 1471 WAT H1 B 0.417000 1.0079 - 4413 SYS 1471 WAT H2 B 0.417000 1.0079 - 4414 SYS 1472 WAT O1 D -0.834000 15.9994 - 4415 SYS 1472 WAT H1 B 0.417000 1.0079 - 4416 SYS 1472 WAT H2 B 0.417000 1.0079 - 4417 SYS 1473 WAT O1 D -0.834000 15.9994 - 4418 SYS 1473 WAT H1 B 0.417000 1.0079 - 4419 SYS 1473 WAT H2 B 0.417000 1.0079 - 4420 SYS 1474 WAT O1 D -0.834000 15.9994 - 4421 SYS 1474 WAT H1 B 0.417000 1.0079 - 4422 SYS 1474 WAT H2 B 0.417000 1.0079 - 4423 SYS 1475 WAT O1 D -0.834000 15.9994 - 4424 SYS 1475 WAT H1 B 0.417000 1.0079 - 4425 SYS 1475 WAT H2 B 0.417000 1.0079 - 4426 SYS 1476 WAT O1 D -0.834000 15.9994 - 4427 SYS 1476 WAT H1 B 0.417000 1.0079 - 4428 SYS 1476 WAT H2 B 0.417000 1.0079 - 4429 SYS 1477 WAT O1 D -0.834000 15.9994 - 4430 SYS 1477 WAT H1 B 0.417000 1.0079 - 4431 SYS 1477 WAT H2 B 0.417000 1.0079 - 4432 SYS 1478 WAT O1 D -0.834000 15.9994 - 4433 SYS 1478 WAT H1 B 0.417000 1.0079 - 4434 SYS 1478 WAT H2 B 0.417000 1.0079 - 4435 SYS 1479 WAT O1 D -0.834000 15.9994 - 4436 SYS 1479 WAT H1 B 0.417000 1.0079 - 4437 SYS 1479 WAT H2 B 0.417000 1.0079 - 4438 SYS 1480 WAT O1 D -0.834000 15.9994 - 4439 SYS 1480 WAT H1 B 0.417000 1.0079 - 4440 SYS 1480 WAT H2 B 0.417000 1.0079 - 4441 SYS 1481 WAT O1 D -0.834000 15.9994 - 4442 SYS 1481 WAT H1 B 0.417000 1.0079 - 4443 SYS 1481 WAT H2 B 0.417000 1.0079 - 4444 SYS 1482 WAT O1 D -0.834000 15.9994 - 4445 SYS 1482 WAT H1 B 0.417000 1.0079 - 4446 SYS 1482 WAT H2 B 0.417000 1.0079 - 4447 SYS 1483 WAT O1 D -0.834000 15.9994 - 4448 SYS 1483 WAT H1 B 0.417000 1.0079 - 4449 SYS 1483 WAT H2 B 0.417000 1.0079 - 4450 SYS 1484 WAT O1 D -0.834000 15.9994 - 4451 SYS 1484 WAT H1 B 0.417000 1.0079 - 4452 SYS 1484 WAT H2 B 0.417000 1.0079 - 4453 SYS 1485 WAT O1 D -0.834000 15.9994 - 4454 SYS 1485 WAT H1 B 0.417000 1.0079 - 4455 SYS 1485 WAT H2 B 0.417000 1.0079 - 4456 SYS 1486 WAT O1 D -0.834000 15.9994 - 4457 SYS 1486 WAT H1 B 0.417000 1.0079 - 4458 SYS 1486 WAT H2 B 0.417000 1.0079 - 4459 SYS 1487 WAT O1 D -0.834000 15.9994 - 4460 SYS 1487 WAT H1 B 0.417000 1.0079 - 4461 SYS 1487 WAT H2 B 0.417000 1.0079 - 4462 SYS 1488 WAT O1 D -0.834000 15.9994 - 4463 SYS 1488 WAT H1 B 0.417000 1.0079 - 4464 SYS 1488 WAT H2 B 0.417000 1.0079 - 4465 SYS 1489 WAT O1 D -0.834000 15.9994 - 4466 SYS 1489 WAT H1 B 0.417000 1.0079 - 4467 SYS 1489 WAT H2 B 0.417000 1.0079 - 4468 SYS 1490 WAT O1 D -0.834000 15.9994 - 4469 SYS 1490 WAT H1 B 0.417000 1.0079 - 4470 SYS 1490 WAT H2 B 0.417000 1.0079 - 4471 SYS 1491 WAT O1 D -0.834000 15.9994 - 4472 SYS 1491 WAT H1 B 0.417000 1.0079 - 4473 SYS 1491 WAT H2 B 0.417000 1.0079 - 4474 SYS 1492 WAT O1 D -0.834000 15.9994 - 4475 SYS 1492 WAT H1 B 0.417000 1.0079 - 4476 SYS 1492 WAT H2 B 0.417000 1.0079 - 4477 SYS 1493 WAT O1 D -0.834000 15.9994 - 4478 SYS 1493 WAT H1 B 0.417000 1.0079 - 4479 SYS 1493 WAT H2 B 0.417000 1.0079 - 4480 SYS 1494 WAT O1 D -0.834000 15.9994 - 4481 SYS 1494 WAT H1 B 0.417000 1.0079 - 4482 SYS 1494 WAT H2 B 0.417000 1.0079 - 4483 SYS 1495 WAT O1 D -0.834000 15.9994 - 4484 SYS 1495 WAT H1 B 0.417000 1.0079 - 4485 SYS 1495 WAT H2 B 0.417000 1.0079 - 4486 SYS 1496 WAT O1 D -0.834000 15.9994 - 4487 SYS 1496 WAT H1 B 0.417000 1.0079 - 4488 SYS 1496 WAT H2 B 0.417000 1.0079 - 4489 SYS 1497 WAT O1 D -0.834000 15.9994 - 4490 SYS 1497 WAT H1 B 0.417000 1.0079 - 4491 SYS 1497 WAT H2 B 0.417000 1.0079 - 4492 SYS 1498 WAT O1 D -0.834000 15.9994 - 4493 SYS 1498 WAT H1 B 0.417000 1.0079 - 4494 SYS 1498 WAT H2 B 0.417000 1.0079 - 4495 SYS 1499 WAT O1 D -0.834000 15.9994 - 4496 SYS 1499 WAT H1 B 0.417000 1.0079 - 4497 SYS 1499 WAT H2 B 0.417000 1.0079 - 4498 SYS 1500 WAT O1 D -0.834000 15.9994 - 4499 SYS 1500 WAT H1 B 0.417000 1.0079 - 4500 SYS 1500 WAT H2 B 0.417000 1.0079 - 4501 SYS 1501 WAT O1 D -0.834000 15.9994 - 4502 SYS 1501 WAT H1 B 0.417000 1.0079 - 4503 SYS 1501 WAT H2 B 0.417000 1.0079 - 4504 SYS 1502 WAT O1 D -0.834000 15.9994 - 4505 SYS 1502 WAT H1 B 0.417000 1.0079 - 4506 SYS 1502 WAT H2 B 0.417000 1.0079 - 4507 SYS 1503 WAT O1 D -0.834000 15.9994 - 4508 SYS 1503 WAT H1 B 0.417000 1.0079 - 4509 SYS 1503 WAT H2 B 0.417000 1.0079 - 4510 SYS 1504 WAT O1 D -0.834000 15.9994 - 4511 SYS 1504 WAT H1 B 0.417000 1.0079 - 4512 SYS 1504 WAT H2 B 0.417000 1.0079 - 4513 SYS 1505 WAT O1 D -0.834000 15.9994 - 4514 SYS 1505 WAT H1 B 0.417000 1.0079 - 4515 SYS 1505 WAT H2 B 0.417000 1.0079 - 4516 SYS 1506 WAT O1 D -0.834000 15.9994 - 4517 SYS 1506 WAT H1 B 0.417000 1.0079 - 4518 SYS 1506 WAT H2 B 0.417000 1.0079 - 4519 SYS 1507 WAT O1 D -0.834000 15.9994 - 4520 SYS 1507 WAT H1 B 0.417000 1.0079 - 4521 SYS 1507 WAT H2 B 0.417000 1.0079 - 4522 SYS 1508 WAT O1 D -0.834000 15.9994 - 4523 SYS 1508 WAT H1 B 0.417000 1.0079 - 4524 SYS 1508 WAT H2 B 0.417000 1.0079 - 4525 SYS 1509 WAT O1 D -0.834000 15.9994 - 4526 SYS 1509 WAT H1 B 0.417000 1.0079 - 4527 SYS 1509 WAT H2 B 0.417000 1.0079 - 4528 SYS 1510 WAT O1 D -0.834000 15.9994 - 4529 SYS 1510 WAT H1 B 0.417000 1.0079 - 4530 SYS 1510 WAT H2 B 0.417000 1.0079 - 4531 SYS 1511 WAT O1 D -0.834000 15.9994 - 4532 SYS 1511 WAT H1 B 0.417000 1.0079 - 4533 SYS 1511 WAT H2 B 0.417000 1.0079 - 4534 SYS 1512 WAT O1 D -0.834000 15.9994 - 4535 SYS 1512 WAT H1 B 0.417000 1.0079 - 4536 SYS 1512 WAT H2 B 0.417000 1.0079 - 4537 SYS 1513 WAT O1 D -0.834000 15.9994 - 4538 SYS 1513 WAT H1 B 0.417000 1.0079 - 4539 SYS 1513 WAT H2 B 0.417000 1.0079 - 4540 SYS 1514 WAT O1 D -0.834000 15.9994 - 4541 SYS 1514 WAT H1 B 0.417000 1.0079 - 4542 SYS 1514 WAT H2 B 0.417000 1.0079 - 4543 SYS 1515 WAT O1 D -0.834000 15.9994 - 4544 SYS 1515 WAT H1 B 0.417000 1.0079 - 4545 SYS 1515 WAT H2 B 0.417000 1.0079 - 4546 SYS 1516 WAT O1 D -0.834000 15.9994 - 4547 SYS 1516 WAT H1 B 0.417000 1.0079 - 4548 SYS 1516 WAT H2 B 0.417000 1.0079 - 4549 SYS 1517 WAT O1 D -0.834000 15.9994 - 4550 SYS 1517 WAT H1 B 0.417000 1.0079 - 4551 SYS 1517 WAT H2 B 0.417000 1.0079 - 4552 SYS 1518 WAT O1 D -0.834000 15.9994 - 4553 SYS 1518 WAT H1 B 0.417000 1.0079 - 4554 SYS 1518 WAT H2 B 0.417000 1.0079 - 4555 SYS 1519 WAT O1 D -0.834000 15.9994 - 4556 SYS 1519 WAT H1 B 0.417000 1.0079 - 4557 SYS 1519 WAT H2 B 0.417000 1.0079 - 4558 SYS 1520 WAT O1 D -0.834000 15.9994 - 4559 SYS 1520 WAT H1 B 0.417000 1.0079 - 4560 SYS 1520 WAT H2 B 0.417000 1.0079 - 4561 SYS 1521 WAT O1 D -0.834000 15.9994 - 4562 SYS 1521 WAT H1 B 0.417000 1.0079 - 4563 SYS 1521 WAT H2 B 0.417000 1.0079 - 4564 SYS 1522 WAT O1 D -0.834000 15.9994 - 4565 SYS 1522 WAT H1 B 0.417000 1.0079 - 4566 SYS 1522 WAT H2 B 0.417000 1.0079 - 4567 SYS 1523 WAT O1 D -0.834000 15.9994 - 4568 SYS 1523 WAT H1 B 0.417000 1.0079 - 4569 SYS 1523 WAT H2 B 0.417000 1.0079 - 4570 SYS 1524 WAT O1 D -0.834000 15.9994 - 4571 SYS 1524 WAT H1 B 0.417000 1.0079 - 4572 SYS 1524 WAT H2 B 0.417000 1.0079 - 4573 SYS 1525 WAT O1 D -0.834000 15.9994 - 4574 SYS 1525 WAT H1 B 0.417000 1.0079 - 4575 SYS 1525 WAT H2 B 0.417000 1.0079 - 4576 SYS 1526 WAT O1 D -0.834000 15.9994 - 4577 SYS 1526 WAT H1 B 0.417000 1.0079 - 4578 SYS 1526 WAT H2 B 0.417000 1.0079 - 4579 SYS 1527 WAT O1 D -0.834000 15.9994 - 4580 SYS 1527 WAT H1 B 0.417000 1.0079 - 4581 SYS 1527 WAT H2 B 0.417000 1.0079 - 4582 SYS 1528 WAT O1 D -0.834000 15.9994 - 4583 SYS 1528 WAT H1 B 0.417000 1.0079 - 4584 SYS 1528 WAT H2 B 0.417000 1.0079 - 4585 SYS 1529 WAT O1 D -0.834000 15.9994 - 4586 SYS 1529 WAT H1 B 0.417000 1.0079 - 4587 SYS 1529 WAT H2 B 0.417000 1.0079 - 4588 SYS 1530 WAT O1 D -0.834000 15.9994 - 4589 SYS 1530 WAT H1 B 0.417000 1.0079 - 4590 SYS 1530 WAT H2 B 0.417000 1.0079 - 4591 SYS 1531 WAT O1 D -0.834000 15.9994 - 4592 SYS 1531 WAT H1 B 0.417000 1.0079 - 4593 SYS 1531 WAT H2 B 0.417000 1.0079 - 4594 SYS 1532 WAT O1 D -0.834000 15.9994 - 4595 SYS 1532 WAT H1 B 0.417000 1.0079 - 4596 SYS 1532 WAT H2 B 0.417000 1.0079 - 4597 SYS 1533 WAT O1 D -0.834000 15.9994 - 4598 SYS 1533 WAT H1 B 0.417000 1.0079 - 4599 SYS 1533 WAT H2 B 0.417000 1.0079 - 4600 SYS 1534 WAT O1 D -0.834000 15.9994 - 4601 SYS 1534 WAT H1 B 0.417000 1.0079 - 4602 SYS 1534 WAT H2 B 0.417000 1.0079 - 4603 SYS 1535 WAT O1 D -0.834000 15.9994 - 4604 SYS 1535 WAT H1 B 0.417000 1.0079 - 4605 SYS 1535 WAT H2 B 0.417000 1.0079 - 4606 SYS 1536 WAT O1 D -0.834000 15.9994 - 4607 SYS 1536 WAT H1 B 0.417000 1.0079 - 4608 SYS 1536 WAT H2 B 0.417000 1.0079 - 4609 SYS 1537 WAT O1 D -0.834000 15.9994 - 4610 SYS 1537 WAT H1 B 0.417000 1.0079 - 4611 SYS 1537 WAT H2 B 0.417000 1.0079 - 4612 SYS 1538 WAT O1 D -0.834000 15.9994 - 4613 SYS 1538 WAT H1 B 0.417000 1.0079 - 4614 SYS 1538 WAT H2 B 0.417000 1.0079 - 4615 SYS 1539 WAT O1 D -0.834000 15.9994 - 4616 SYS 1539 WAT H1 B 0.417000 1.0079 - 4617 SYS 1539 WAT H2 B 0.417000 1.0079 - 4618 SYS 1540 WAT O1 D -0.834000 15.9994 - 4619 SYS 1540 WAT H1 B 0.417000 1.0079 - 4620 SYS 1540 WAT H2 B 0.417000 1.0079 - 4621 SYS 1541 WAT O1 D -0.834000 15.9994 - 4622 SYS 1541 WAT H1 B 0.417000 1.0079 - 4623 SYS 1541 WAT H2 B 0.417000 1.0079 - 4624 SYS 1542 WAT O1 D -0.834000 15.9994 - 4625 SYS 1542 WAT H1 B 0.417000 1.0079 - 4626 SYS 1542 WAT H2 B 0.417000 1.0079 - 4627 SYS 1543 WAT O1 D -0.834000 15.9994 - 4628 SYS 1543 WAT H1 B 0.417000 1.0079 - 4629 SYS 1543 WAT H2 B 0.417000 1.0079 - 4630 SYS 1544 WAT O1 D -0.834000 15.9994 - 4631 SYS 1544 WAT H1 B 0.417000 1.0079 - 4632 SYS 1544 WAT H2 B 0.417000 1.0079 - 4633 SYS 1545 WAT O1 D -0.834000 15.9994 - 4634 SYS 1545 WAT H1 B 0.417000 1.0079 - 4635 SYS 1545 WAT H2 B 0.417000 1.0079 - 4636 SYS 1546 WAT O1 D -0.834000 15.9994 - 4637 SYS 1546 WAT H1 B 0.417000 1.0079 - 4638 SYS 1546 WAT H2 B 0.417000 1.0079 - 4639 SYS 1547 WAT O1 D -0.834000 15.9994 - 4640 SYS 1547 WAT H1 B 0.417000 1.0079 - 4641 SYS 1547 WAT H2 B 0.417000 1.0079 - 4642 SYS 1548 WAT O1 D -0.834000 15.9994 - 4643 SYS 1548 WAT H1 B 0.417000 1.0079 - 4644 SYS 1548 WAT H2 B 0.417000 1.0079 - 4645 SYS 1549 WAT O1 D -0.834000 15.9994 - 4646 SYS 1549 WAT H1 B 0.417000 1.0079 - 4647 SYS 1549 WAT H2 B 0.417000 1.0079 - 4648 SYS 1550 WAT O1 D -0.834000 15.9994 - 4649 SYS 1550 WAT H1 B 0.417000 1.0079 - 4650 SYS 1550 WAT H2 B 0.417000 1.0079 - 4651 SYS 1551 WAT O1 D -0.834000 15.9994 - 4652 SYS 1551 WAT H1 B 0.417000 1.0079 - 4653 SYS 1551 WAT H2 B 0.417000 1.0079 - 4654 SYS 1552 WAT O1 D -0.834000 15.9994 - 4655 SYS 1552 WAT H1 B 0.417000 1.0079 - 4656 SYS 1552 WAT H2 B 0.417000 1.0079 - 4657 SYS 1553 WAT O1 D -0.834000 15.9994 - 4658 SYS 1553 WAT H1 B 0.417000 1.0079 - 4659 SYS 1553 WAT H2 B 0.417000 1.0079 - 4660 SYS 1554 WAT O1 D -0.834000 15.9994 - 4661 SYS 1554 WAT H1 B 0.417000 1.0079 - 4662 SYS 1554 WAT H2 B 0.417000 1.0079 - 4663 SYS 1555 WAT O1 D -0.834000 15.9994 - 4664 SYS 1555 WAT H1 B 0.417000 1.0079 - 4665 SYS 1555 WAT H2 B 0.417000 1.0079 - 4666 SYS 1556 WAT O1 D -0.834000 15.9994 - 4667 SYS 1556 WAT H1 B 0.417000 1.0079 - 4668 SYS 1556 WAT H2 B 0.417000 1.0079 - 4669 SYS 1557 WAT O1 D -0.834000 15.9994 - 4670 SYS 1557 WAT H1 B 0.417000 1.0079 - 4671 SYS 1557 WAT H2 B 0.417000 1.0079 - 4672 SYS 1558 WAT O1 D -0.834000 15.9994 - 4673 SYS 1558 WAT H1 B 0.417000 1.0079 - 4674 SYS 1558 WAT H2 B 0.417000 1.0079 - 4675 SYS 1559 WAT O1 D -0.834000 15.9994 - 4676 SYS 1559 WAT H1 B 0.417000 1.0079 - 4677 SYS 1559 WAT H2 B 0.417000 1.0079 - 4678 SYS 1560 WAT O1 D -0.834000 15.9994 - 4679 SYS 1560 WAT H1 B 0.417000 1.0079 - 4680 SYS 1560 WAT H2 B 0.417000 1.0079 - 4681 SYS 1561 WAT O1 D -0.834000 15.9994 - 4682 SYS 1561 WAT H1 B 0.417000 1.0079 - 4683 SYS 1561 WAT H2 B 0.417000 1.0079 - 4684 SYS 1562 WAT O1 D -0.834000 15.9994 - 4685 SYS 1562 WAT H1 B 0.417000 1.0079 - 4686 SYS 1562 WAT H2 B 0.417000 1.0079 - 4687 SYS 1563 WAT O1 D -0.834000 15.9994 - 4688 SYS 1563 WAT H1 B 0.417000 1.0079 - 4689 SYS 1563 WAT H2 B 0.417000 1.0079 - 4690 SYS 1564 WAT O1 D -0.834000 15.9994 - 4691 SYS 1564 WAT H1 B 0.417000 1.0079 - 4692 SYS 1564 WAT H2 B 0.417000 1.0079 - 4693 SYS 1565 WAT O1 D -0.834000 15.9994 - 4694 SYS 1565 WAT H1 B 0.417000 1.0079 - 4695 SYS 1565 WAT H2 B 0.417000 1.0079 - 4696 SYS 1566 WAT O1 D -0.834000 15.9994 - 4697 SYS 1566 WAT H1 B 0.417000 1.0079 - 4698 SYS 1566 WAT H2 B 0.417000 1.0079 - 4699 SYS 1567 WAT O1 D -0.834000 15.9994 - 4700 SYS 1567 WAT H1 B 0.417000 1.0079 - 4701 SYS 1567 WAT H2 B 0.417000 1.0079 - 4702 SYS 1568 WAT O1 D -0.834000 15.9994 - 4703 SYS 1568 WAT H1 B 0.417000 1.0079 - 4704 SYS 1568 WAT H2 B 0.417000 1.0079 - 4705 SYS 1569 WAT O1 D -0.834000 15.9994 - 4706 SYS 1569 WAT H1 B 0.417000 1.0079 - 4707 SYS 1569 WAT H2 B 0.417000 1.0079 - 4708 SYS 1570 WAT O1 D -0.834000 15.9994 - 4709 SYS 1570 WAT H1 B 0.417000 1.0079 - 4710 SYS 1570 WAT H2 B 0.417000 1.0079 - 4711 SYS 1571 WAT O1 D -0.834000 15.9994 - 4712 SYS 1571 WAT H1 B 0.417000 1.0079 - 4713 SYS 1571 WAT H2 B 0.417000 1.0079 - 4714 SYS 1572 WAT O1 D -0.834000 15.9994 - 4715 SYS 1572 WAT H1 B 0.417000 1.0079 - 4716 SYS 1572 WAT H2 B 0.417000 1.0079 - 4717 SYS 1573 WAT O1 D -0.834000 15.9994 - 4718 SYS 1573 WAT H1 B 0.417000 1.0079 - 4719 SYS 1573 WAT H2 B 0.417000 1.0079 - 4720 SYS 1574 WAT O1 D -0.834000 15.9994 - 4721 SYS 1574 WAT H1 B 0.417000 1.0079 - 4722 SYS 1574 WAT H2 B 0.417000 1.0079 - 4723 SYS 1575 WAT O1 D -0.834000 15.9994 - 4724 SYS 1575 WAT H1 B 0.417000 1.0079 - 4725 SYS 1575 WAT H2 B 0.417000 1.0079 - 4726 SYS 1576 WAT O1 D -0.834000 15.9994 - 4727 SYS 1576 WAT H1 B 0.417000 1.0079 - 4728 SYS 1576 WAT H2 B 0.417000 1.0079 - 4729 SYS 1577 WAT O1 D -0.834000 15.9994 - 4730 SYS 1577 WAT H1 B 0.417000 1.0079 - 4731 SYS 1577 WAT H2 B 0.417000 1.0079 - 4732 SYS 1578 WAT O1 D -0.834000 15.9994 - 4733 SYS 1578 WAT H1 B 0.417000 1.0079 - 4734 SYS 1578 WAT H2 B 0.417000 1.0079 - 4735 SYS 1579 WAT O1 D -0.834000 15.9994 - 4736 SYS 1579 WAT H1 B 0.417000 1.0079 - 4737 SYS 1579 WAT H2 B 0.417000 1.0079 - 4738 SYS 1580 WAT O1 D -0.834000 15.9994 - 4739 SYS 1580 WAT H1 B 0.417000 1.0079 - 4740 SYS 1580 WAT H2 B 0.417000 1.0079 - 4741 SYS 1581 WAT O1 D -0.834000 15.9994 - 4742 SYS 1581 WAT H1 B 0.417000 1.0079 - 4743 SYS 1581 WAT H2 B 0.417000 1.0079 - 4744 SYS 1582 WAT O1 D -0.834000 15.9994 - 4745 SYS 1582 WAT H1 B 0.417000 1.0079 - 4746 SYS 1582 WAT H2 B 0.417000 1.0079 - 4747 SYS 1583 WAT O1 D -0.834000 15.9994 - 4748 SYS 1583 WAT H1 B 0.417000 1.0079 - 4749 SYS 1583 WAT H2 B 0.417000 1.0079 - 4750 SYS 1584 WAT O1 D -0.834000 15.9994 - 4751 SYS 1584 WAT H1 B 0.417000 1.0079 - 4752 SYS 1584 WAT H2 B 0.417000 1.0079 - 4753 SYS 1585 WAT O1 D -0.834000 15.9994 - 4754 SYS 1585 WAT H1 B 0.417000 1.0079 - 4755 SYS 1585 WAT H2 B 0.417000 1.0079 - 4756 SYS 1586 WAT O1 D -0.834000 15.9994 - 4757 SYS 1586 WAT H1 B 0.417000 1.0079 - 4758 SYS 1586 WAT H2 B 0.417000 1.0079 - 4759 SYS 1587 WAT O1 D -0.834000 15.9994 - 4760 SYS 1587 WAT H1 B 0.417000 1.0079 - 4761 SYS 1587 WAT H2 B 0.417000 1.0079 - 4762 SYS 1588 WAT O1 D -0.834000 15.9994 - 4763 SYS 1588 WAT H1 B 0.417000 1.0079 - 4764 SYS 1588 WAT H2 B 0.417000 1.0079 - 4765 SYS 1589 WAT O1 D -0.834000 15.9994 - 4766 SYS 1589 WAT H1 B 0.417000 1.0079 - 4767 SYS 1589 WAT H2 B 0.417000 1.0079 - 4768 SYS 1590 WAT O1 D -0.834000 15.9994 - 4769 SYS 1590 WAT H1 B 0.417000 1.0079 - 4770 SYS 1590 WAT H2 B 0.417000 1.0079 - 4771 SYS 1591 WAT O1 D -0.834000 15.9994 - 4772 SYS 1591 WAT H1 B 0.417000 1.0079 - 4773 SYS 1591 WAT H2 B 0.417000 1.0079 - 4774 SYS 1592 WAT O1 D -0.834000 15.9994 - 4775 SYS 1592 WAT H1 B 0.417000 1.0079 - 4776 SYS 1592 WAT H2 B 0.417000 1.0079 - 4777 SYS 1593 WAT O1 D -0.834000 15.9994 - 4778 SYS 1593 WAT H1 B 0.417000 1.0079 - 4779 SYS 1593 WAT H2 B 0.417000 1.0079 - 4780 SYS 1594 WAT O1 D -0.834000 15.9994 - 4781 SYS 1594 WAT H1 B 0.417000 1.0079 - 4782 SYS 1594 WAT H2 B 0.417000 1.0079 - 4783 SYS 1595 WAT O1 D -0.834000 15.9994 - 4784 SYS 1595 WAT H1 B 0.417000 1.0079 - 4785 SYS 1595 WAT H2 B 0.417000 1.0079 - 4786 SYS 1596 WAT O1 D -0.834000 15.9994 - 4787 SYS 1596 WAT H1 B 0.417000 1.0079 - 4788 SYS 1596 WAT H2 B 0.417000 1.0079 - 4789 SYS 1597 WAT O1 D -0.834000 15.9994 - 4790 SYS 1597 WAT H1 B 0.417000 1.0079 - 4791 SYS 1597 WAT H2 B 0.417000 1.0079 - 4792 SYS 1598 WAT O1 D -0.834000 15.9994 - 4793 SYS 1598 WAT H1 B 0.417000 1.0079 - 4794 SYS 1598 WAT H2 B 0.417000 1.0079 - 4795 SYS 1599 WAT O1 D -0.834000 15.9994 - 4796 SYS 1599 WAT H1 B 0.417000 1.0079 - 4797 SYS 1599 WAT H2 B 0.417000 1.0079 - 4798 SYS 1600 WAT O1 D -0.834000 15.9994 - 4799 SYS 1600 WAT H1 B 0.417000 1.0079 - 4800 SYS 1600 WAT H2 B 0.417000 1.0079 - 4801 SYS 1601 WAT O1 D -0.834000 15.9994 - 4802 SYS 1601 WAT H1 B 0.417000 1.0079 - 4803 SYS 1601 WAT H2 B 0.417000 1.0079 - 4804 SYS 1602 WAT O1 D -0.834000 15.9994 - 4805 SYS 1602 WAT H1 B 0.417000 1.0079 - 4806 SYS 1602 WAT H2 B 0.417000 1.0079 - 4807 SYS 1603 WAT O1 D -0.834000 15.9994 - 4808 SYS 1603 WAT H1 B 0.417000 1.0079 - 4809 SYS 1603 WAT H2 B 0.417000 1.0079 - 4810 SYS 1604 WAT O1 D -0.834000 15.9994 - 4811 SYS 1604 WAT H1 B 0.417000 1.0079 - 4812 SYS 1604 WAT H2 B 0.417000 1.0079 - 4813 SYS 1605 WAT O1 D -0.834000 15.9994 - 4814 SYS 1605 WAT H1 B 0.417000 1.0079 - 4815 SYS 1605 WAT H2 B 0.417000 1.0079 - 4816 SYS 1606 WAT O1 D -0.834000 15.9994 - 4817 SYS 1606 WAT H1 B 0.417000 1.0079 - 4818 SYS 1606 WAT H2 B 0.417000 1.0079 - 4819 SYS 1607 WAT O1 D -0.834000 15.9994 - 4820 SYS 1607 WAT H1 B 0.417000 1.0079 - 4821 SYS 1607 WAT H2 B 0.417000 1.0079 - 4822 SYS 1608 WAT O1 D -0.834000 15.9994 - 4823 SYS 1608 WAT H1 B 0.417000 1.0079 - 4824 SYS 1608 WAT H2 B 0.417000 1.0079 - 4825 SYS 1609 WAT O1 D -0.834000 15.9994 - 4826 SYS 1609 WAT H1 B 0.417000 1.0079 - 4827 SYS 1609 WAT H2 B 0.417000 1.0079 - 4828 SYS 1610 WAT O1 D -0.834000 15.9994 - 4829 SYS 1610 WAT H1 B 0.417000 1.0079 - 4830 SYS 1610 WAT H2 B 0.417000 1.0079 - 4831 SYS 1611 WAT O1 D -0.834000 15.9994 - 4832 SYS 1611 WAT H1 B 0.417000 1.0079 - 4833 SYS 1611 WAT H2 B 0.417000 1.0079 - 4834 SYS 1612 WAT O1 D -0.834000 15.9994 - 4835 SYS 1612 WAT H1 B 0.417000 1.0079 - 4836 SYS 1612 WAT H2 B 0.417000 1.0079 - 4837 SYS 1613 WAT O1 D -0.834000 15.9994 - 4838 SYS 1613 WAT H1 B 0.417000 1.0079 - 4839 SYS 1613 WAT H2 B 0.417000 1.0079 - 4840 SYS 1614 WAT O1 D -0.834000 15.9994 - 4841 SYS 1614 WAT H1 B 0.417000 1.0079 - 4842 SYS 1614 WAT H2 B 0.417000 1.0079 - 4843 SYS 1615 WAT O1 D -0.834000 15.9994 - 4844 SYS 1615 WAT H1 B 0.417000 1.0079 - 4845 SYS 1615 WAT H2 B 0.417000 1.0079 - 4846 SYS 1616 WAT O1 D -0.834000 15.9994 - 4847 SYS 1616 WAT H1 B 0.417000 1.0079 - 4848 SYS 1616 WAT H2 B 0.417000 1.0079 - 4849 SYS 1617 WAT O1 D -0.834000 15.9994 - 4850 SYS 1617 WAT H1 B 0.417000 1.0079 - 4851 SYS 1617 WAT H2 B 0.417000 1.0079 - 4852 SYS 1618 WAT O1 D -0.834000 15.9994 - 4853 SYS 1618 WAT H1 B 0.417000 1.0079 - 4854 SYS 1618 WAT H2 B 0.417000 1.0079 - 4855 SYS 1619 WAT O1 D -0.834000 15.9994 - 4856 SYS 1619 WAT H1 B 0.417000 1.0079 - 4857 SYS 1619 WAT H2 B 0.417000 1.0079 - 4858 SYS 1620 WAT O1 D -0.834000 15.9994 - 4859 SYS 1620 WAT H1 B 0.417000 1.0079 - 4860 SYS 1620 WAT H2 B 0.417000 1.0079 - 4861 SYS 1621 WAT O1 D -0.834000 15.9994 - 4862 SYS 1621 WAT H1 B 0.417000 1.0079 - 4863 SYS 1621 WAT H2 B 0.417000 1.0079 - 4864 SYS 1622 WAT O1 D -0.834000 15.9994 - 4865 SYS 1622 WAT H1 B 0.417000 1.0079 - 4866 SYS 1622 WAT H2 B 0.417000 1.0079 - 4867 SYS 1623 WAT O1 D -0.834000 15.9994 - 4868 SYS 1623 WAT H1 B 0.417000 1.0079 - 4869 SYS 1623 WAT H2 B 0.417000 1.0079 - 4870 SYS 1624 WAT O1 D -0.834000 15.9994 - 4871 SYS 1624 WAT H1 B 0.417000 1.0079 - 4872 SYS 1624 WAT H2 B 0.417000 1.0079 - 4873 SYS 1625 WAT O1 D -0.834000 15.9994 - 4874 SYS 1625 WAT H1 B 0.417000 1.0079 - 4875 SYS 1625 WAT H2 B 0.417000 1.0079 - 4876 SYS 1626 WAT O1 D -0.834000 15.9994 - 4877 SYS 1626 WAT H1 B 0.417000 1.0079 - 4878 SYS 1626 WAT H2 B 0.417000 1.0079 - 4879 SYS 1627 WAT O1 D -0.834000 15.9994 - 4880 SYS 1627 WAT H1 B 0.417000 1.0079 - 4881 SYS 1627 WAT H2 B 0.417000 1.0079 - 4882 SYS 1628 WAT O1 D -0.834000 15.9994 - 4883 SYS 1628 WAT H1 B 0.417000 1.0079 - 4884 SYS 1628 WAT H2 B 0.417000 1.0079 - 4885 SYS 1629 WAT O1 D -0.834000 15.9994 - 4886 SYS 1629 WAT H1 B 0.417000 1.0079 - 4887 SYS 1629 WAT H2 B 0.417000 1.0079 - 4888 SYS 1630 WAT O1 D -0.834000 15.9994 - 4889 SYS 1630 WAT H1 B 0.417000 1.0079 - 4890 SYS 1630 WAT H2 B 0.417000 1.0079 - 4891 SYS 1631 WAT O1 D -0.834000 15.9994 - 4892 SYS 1631 WAT H1 B 0.417000 1.0079 - 4893 SYS 1631 WAT H2 B 0.417000 1.0079 - 4894 SYS 1632 WAT O1 D -0.834000 15.9994 - 4895 SYS 1632 WAT H1 B 0.417000 1.0079 - 4896 SYS 1632 WAT H2 B 0.417000 1.0079 - 4897 SYS 1633 WAT O1 D -0.834000 15.9994 - 4898 SYS 1633 WAT H1 B 0.417000 1.0079 - 4899 SYS 1633 WAT H2 B 0.417000 1.0079 - 4900 SYS 1634 WAT O1 D -0.834000 15.9994 - 4901 SYS 1634 WAT H1 B 0.417000 1.0079 - 4902 SYS 1634 WAT H2 B 0.417000 1.0079 - 4903 SYS 1635 WAT O1 D -0.834000 15.9994 - 4904 SYS 1635 WAT H1 B 0.417000 1.0079 - 4905 SYS 1635 WAT H2 B 0.417000 1.0079 - 4906 SYS 1636 WAT O1 D -0.834000 15.9994 - 4907 SYS 1636 WAT H1 B 0.417000 1.0079 - 4908 SYS 1636 WAT H2 B 0.417000 1.0079 - 4909 SYS 1637 WAT O1 D -0.834000 15.9994 - 4910 SYS 1637 WAT H1 B 0.417000 1.0079 - 4911 SYS 1637 WAT H2 B 0.417000 1.0079 - 4912 SYS 1638 WAT O1 D -0.834000 15.9994 - 4913 SYS 1638 WAT H1 B 0.417000 1.0079 - 4914 SYS 1638 WAT H2 B 0.417000 1.0079 - 4915 SYS 1639 WAT O1 D -0.834000 15.9994 - 4916 SYS 1639 WAT H1 B 0.417000 1.0079 - 4917 SYS 1639 WAT H2 B 0.417000 1.0079 - 4918 SYS 1640 WAT O1 D -0.834000 15.9994 - 4919 SYS 1640 WAT H1 B 0.417000 1.0079 - 4920 SYS 1640 WAT H2 B 0.417000 1.0079 - 4921 SYS 1641 WAT O1 D -0.834000 15.9994 - 4922 SYS 1641 WAT H1 B 0.417000 1.0079 - 4923 SYS 1641 WAT H2 B 0.417000 1.0079 - 4924 SYS 1642 WAT O1 D -0.834000 15.9994 - 4925 SYS 1642 WAT H1 B 0.417000 1.0079 - 4926 SYS 1642 WAT H2 B 0.417000 1.0079 - 4927 SYS 1643 WAT O1 D -0.834000 15.9994 - 4928 SYS 1643 WAT H1 B 0.417000 1.0079 - 4929 SYS 1643 WAT H2 B 0.417000 1.0079 - 4930 SYS 1644 WAT O1 D -0.834000 15.9994 - 4931 SYS 1644 WAT H1 B 0.417000 1.0079 - 4932 SYS 1644 WAT H2 B 0.417000 1.0079 - 4933 SYS 1645 WAT O1 D -0.834000 15.9994 - 4934 SYS 1645 WAT H1 B 0.417000 1.0079 - 4935 SYS 1645 WAT H2 B 0.417000 1.0079 - 4936 SYS 1646 WAT O1 D -0.834000 15.9994 - 4937 SYS 1646 WAT H1 B 0.417000 1.0079 - 4938 SYS 1646 WAT H2 B 0.417000 1.0079 - 4939 SYS 1647 WAT O1 D -0.834000 15.9994 - 4940 SYS 1647 WAT H1 B 0.417000 1.0079 - 4941 SYS 1647 WAT H2 B 0.417000 1.0079 - 4942 SYS 1648 WAT O1 D -0.834000 15.9994 - 4943 SYS 1648 WAT H1 B 0.417000 1.0079 - 4944 SYS 1648 WAT H2 B 0.417000 1.0079 - 4945 SYS 1649 WAT O1 D -0.834000 15.9994 - 4946 SYS 1649 WAT H1 B 0.417000 1.0079 - 4947 SYS 1649 WAT H2 B 0.417000 1.0079 - 4948 SYS 1650 WAT O1 D -0.834000 15.9994 - 4949 SYS 1650 WAT H1 B 0.417000 1.0079 - 4950 SYS 1650 WAT H2 B 0.417000 1.0079 - 4951 SYS 1651 WAT O1 D -0.834000 15.9994 - 4952 SYS 1651 WAT H1 B 0.417000 1.0079 - 4953 SYS 1651 WAT H2 B 0.417000 1.0079 - 4954 SYS 1652 WAT O1 D -0.834000 15.9994 - 4955 SYS 1652 WAT H1 B 0.417000 1.0079 - 4956 SYS 1652 WAT H2 B 0.417000 1.0079 - 4957 SYS 1653 WAT O1 D -0.834000 15.9994 - 4958 SYS 1653 WAT H1 B 0.417000 1.0079 - 4959 SYS 1653 WAT H2 B 0.417000 1.0079 - 4960 SYS 1654 WAT O1 D -0.834000 15.9994 - 4961 SYS 1654 WAT H1 B 0.417000 1.0079 - 4962 SYS 1654 WAT H2 B 0.417000 1.0079 - 4963 SYS 1655 WAT O1 D -0.834000 15.9994 - 4964 SYS 1655 WAT H1 B 0.417000 1.0079 - 4965 SYS 1655 WAT H2 B 0.417000 1.0079 - 4966 SYS 1656 WAT O1 D -0.834000 15.9994 - 4967 SYS 1656 WAT H1 B 0.417000 1.0079 - 4968 SYS 1656 WAT H2 B 0.417000 1.0079 - 4969 SYS 1657 WAT O1 D -0.834000 15.9994 - 4970 SYS 1657 WAT H1 B 0.417000 1.0079 - 4971 SYS 1657 WAT H2 B 0.417000 1.0079 - 4972 SYS 1658 WAT O1 D -0.834000 15.9994 - 4973 SYS 1658 WAT H1 B 0.417000 1.0079 - 4974 SYS 1658 WAT H2 B 0.417000 1.0079 - 4975 SYS 1659 WAT O1 D -0.834000 15.9994 - 4976 SYS 1659 WAT H1 B 0.417000 1.0079 - 4977 SYS 1659 WAT H2 B 0.417000 1.0079 - 4978 SYS 1660 WAT O1 D -0.834000 15.9994 - 4979 SYS 1660 WAT H1 B 0.417000 1.0079 - 4980 SYS 1660 WAT H2 B 0.417000 1.0079 - 4981 SYS 1661 WAT O1 D -0.834000 15.9994 - 4982 SYS 1661 WAT H1 B 0.417000 1.0079 - 4983 SYS 1661 WAT H2 B 0.417000 1.0079 - 4984 SYS 1662 WAT O1 D -0.834000 15.9994 - 4985 SYS 1662 WAT H1 B 0.417000 1.0079 - 4986 SYS 1662 WAT H2 B 0.417000 1.0079 - 4987 SYS 1663 WAT O1 D -0.834000 15.9994 - 4988 SYS 1663 WAT H1 B 0.417000 1.0079 - 4989 SYS 1663 WAT H2 B 0.417000 1.0079 - 4990 SYS 1664 WAT O1 D -0.834000 15.9994 - 4991 SYS 1664 WAT H1 B 0.417000 1.0079 - 4992 SYS 1664 WAT H2 B 0.417000 1.0079 - 4993 SYS 1665 WAT O1 D -0.834000 15.9994 - 4994 SYS 1665 WAT H1 B 0.417000 1.0079 - 4995 SYS 1665 WAT H2 B 0.417000 1.0079 - 4996 SYS 1666 WAT O1 D -0.834000 15.9994 - 4997 SYS 1666 WAT H1 B 0.417000 1.0079 - 4998 SYS 1666 WAT H2 B 0.417000 1.0079 - 4999 SYS 1667 WAT O1 D -0.834000 15.9994 - 5000 SYS 1667 WAT H1 B 0.417000 1.0079 - 5001 SYS 1667 WAT H2 B 0.417000 1.0079 - 5002 SYS 1668 WAT O1 D -0.834000 15.9994 - 5003 SYS 1668 WAT H1 B 0.417000 1.0079 - 5004 SYS 1668 WAT H2 B 0.417000 1.0079 - 5005 SYS 1669 WAT O1 D -0.834000 15.9994 - 5006 SYS 1669 WAT H1 B 0.417000 1.0079 - 5007 SYS 1669 WAT H2 B 0.417000 1.0079 - 5008 SYS 1670 WAT O1 D -0.834000 15.9994 - 5009 SYS 1670 WAT H1 B 0.417000 1.0079 - 5010 SYS 1670 WAT H2 B 0.417000 1.0079 - 5011 SYS 1671 WAT O1 D -0.834000 15.9994 - 5012 SYS 1671 WAT H1 B 0.417000 1.0079 - 5013 SYS 1671 WAT H2 B 0.417000 1.0079 - 5014 SYS 1672 WAT O1 D -0.834000 15.9994 - 5015 SYS 1672 WAT H1 B 0.417000 1.0079 - 5016 SYS 1672 WAT H2 B 0.417000 1.0079 - 5017 SYS 1673 WAT O1 D -0.834000 15.9994 - 5018 SYS 1673 WAT H1 B 0.417000 1.0079 - 5019 SYS 1673 WAT H2 B 0.417000 1.0079 - 5020 SYS 1674 WAT O1 D -0.834000 15.9994 - 5021 SYS 1674 WAT H1 B 0.417000 1.0079 - 5022 SYS 1674 WAT H2 B 0.417000 1.0079 - 5023 SYS 1675 WAT O1 D -0.834000 15.9994 - 5024 SYS 1675 WAT H1 B 0.417000 1.0079 - 5025 SYS 1675 WAT H2 B 0.417000 1.0079 - 5026 SYS 1676 WAT O1 D -0.834000 15.9994 - 5027 SYS 1676 WAT H1 B 0.417000 1.0079 - 5028 SYS 1676 WAT H2 B 0.417000 1.0079 - 5029 SYS 1677 WAT O1 D -0.834000 15.9994 - 5030 SYS 1677 WAT H1 B 0.417000 1.0079 - 5031 SYS 1677 WAT H2 B 0.417000 1.0079 - 5032 SYS 1678 WAT O1 D -0.834000 15.9994 - 5033 SYS 1678 WAT H1 B 0.417000 1.0079 - 5034 SYS 1678 WAT H2 B 0.417000 1.0079 - 5035 SYS 1679 WAT O1 D -0.834000 15.9994 - 5036 SYS 1679 WAT H1 B 0.417000 1.0079 - 5037 SYS 1679 WAT H2 B 0.417000 1.0079 - 5038 SYS 1680 WAT O1 D -0.834000 15.9994 - 5039 SYS 1680 WAT H1 B 0.417000 1.0079 - 5040 SYS 1680 WAT H2 B 0.417000 1.0079 - 5041 SYS 1681 WAT O1 D -0.834000 15.9994 - 5042 SYS 1681 WAT H1 B 0.417000 1.0079 - 5043 SYS 1681 WAT H2 B 0.417000 1.0079 - 5044 SYS 1682 WAT O1 D -0.834000 15.9994 - 5045 SYS 1682 WAT H1 B 0.417000 1.0079 - 5046 SYS 1682 WAT H2 B 0.417000 1.0079 - 5047 SYS 1683 WAT O1 D -0.834000 15.9994 - 5048 SYS 1683 WAT H1 B 0.417000 1.0079 - 5049 SYS 1683 WAT H2 B 0.417000 1.0079 - 5050 SYS 1684 WAT O1 D -0.834000 15.9994 - 5051 SYS 1684 WAT H1 B 0.417000 1.0079 - 5052 SYS 1684 WAT H2 B 0.417000 1.0079 - 5053 SYS 1685 WAT O1 D -0.834000 15.9994 - 5054 SYS 1685 WAT H1 B 0.417000 1.0079 - 5055 SYS 1685 WAT H2 B 0.417000 1.0079 - 5056 SYS 1686 WAT O1 D -0.834000 15.9994 - 5057 SYS 1686 WAT H1 B 0.417000 1.0079 - 5058 SYS 1686 WAT H2 B 0.417000 1.0079 - 5059 SYS 1687 WAT O1 D -0.834000 15.9994 - 5060 SYS 1687 WAT H1 B 0.417000 1.0079 - 5061 SYS 1687 WAT H2 B 0.417000 1.0079 - 5062 SYS 1688 WAT O1 D -0.834000 15.9994 - 5063 SYS 1688 WAT H1 B 0.417000 1.0079 - 5064 SYS 1688 WAT H2 B 0.417000 1.0079 - 5065 SYS 1689 WAT O1 D -0.834000 15.9994 - 5066 SYS 1689 WAT H1 B 0.417000 1.0079 - 5067 SYS 1689 WAT H2 B 0.417000 1.0079 - 5068 SYS 1690 WAT O1 D -0.834000 15.9994 - 5069 SYS 1690 WAT H1 B 0.417000 1.0079 - 5070 SYS 1690 WAT H2 B 0.417000 1.0079 - 5071 SYS 1691 WAT O1 D -0.834000 15.9994 - 5072 SYS 1691 WAT H1 B 0.417000 1.0079 - 5073 SYS 1691 WAT H2 B 0.417000 1.0079 - 5074 SYS 1692 WAT O1 D -0.834000 15.9994 - 5075 SYS 1692 WAT H1 B 0.417000 1.0079 - 5076 SYS 1692 WAT H2 B 0.417000 1.0079 - 5077 SYS 1693 WAT O1 D -0.834000 15.9994 - 5078 SYS 1693 WAT H1 B 0.417000 1.0079 - 5079 SYS 1693 WAT H2 B 0.417000 1.0079 - 5080 SYS 1694 WAT O1 D -0.834000 15.9994 - 5081 SYS 1694 WAT H1 B 0.417000 1.0079 - 5082 SYS 1694 WAT H2 B 0.417000 1.0079 - 5083 SYS 1695 WAT O1 D -0.834000 15.9994 - 5084 SYS 1695 WAT H1 B 0.417000 1.0079 - 5085 SYS 1695 WAT H2 B 0.417000 1.0079 - 5086 SYS 1696 WAT O1 D -0.834000 15.9994 - 5087 SYS 1696 WAT H1 B 0.417000 1.0079 - 5088 SYS 1696 WAT H2 B 0.417000 1.0079 - 5089 SYS 1697 WAT O1 D -0.834000 15.9994 - 5090 SYS 1697 WAT H1 B 0.417000 1.0079 - 5091 SYS 1697 WAT H2 B 0.417000 1.0079 - 5092 SYS 1698 WAT O1 D -0.834000 15.9994 - 5093 SYS 1698 WAT H1 B 0.417000 1.0079 - 5094 SYS 1698 WAT H2 B 0.417000 1.0079 - 5095 SYS 1699 WAT O1 D -0.834000 15.9994 - 5096 SYS 1699 WAT H1 B 0.417000 1.0079 - 5097 SYS 1699 WAT H2 B 0.417000 1.0079 - 5098 SYS 1700 WAT O1 D -0.834000 15.9994 - 5099 SYS 1700 WAT H1 B 0.417000 1.0079 - 5100 SYS 1700 WAT H2 B 0.417000 1.0079 - 5101 SYS 1701 WAT O1 D -0.834000 15.9994 - 5102 SYS 1701 WAT H1 B 0.417000 1.0079 - 5103 SYS 1701 WAT H2 B 0.417000 1.0079 - 5104 SYS 1702 WAT O1 D -0.834000 15.9994 - 5105 SYS 1702 WAT H1 B 0.417000 1.0079 - 5106 SYS 1702 WAT H2 B 0.417000 1.0079 - 5107 SYS 1703 WAT O1 D -0.834000 15.9994 - 5108 SYS 1703 WAT H1 B 0.417000 1.0079 - 5109 SYS 1703 WAT H2 B 0.417000 1.0079 - 5110 SYS 1704 WAT O1 D -0.834000 15.9994 - 5111 SYS 1704 WAT H1 B 0.417000 1.0079 - 5112 SYS 1704 WAT H2 B 0.417000 1.0079 - 5113 SYS 1705 WAT O1 D -0.834000 15.9994 - 5114 SYS 1705 WAT H1 B 0.417000 1.0079 - 5115 SYS 1705 WAT H2 B 0.417000 1.0079 - 5116 SYS 1706 WAT O1 D -0.834000 15.9994 - 5117 SYS 1706 WAT H1 B 0.417000 1.0079 - 5118 SYS 1706 WAT H2 B 0.417000 1.0079 - 5119 SYS 1707 WAT O1 D -0.834000 15.9994 - 5120 SYS 1707 WAT H1 B 0.417000 1.0079 - 5121 SYS 1707 WAT H2 B 0.417000 1.0079 - 5122 SYS 1708 WAT O1 D -0.834000 15.9994 - 5123 SYS 1708 WAT H1 B 0.417000 1.0079 - 5124 SYS 1708 WAT H2 B 0.417000 1.0079 - 5125 SYS 1709 WAT O1 D -0.834000 15.9994 - 5126 SYS 1709 WAT H1 B 0.417000 1.0079 - 5127 SYS 1709 WAT H2 B 0.417000 1.0079 - 5128 SYS 1710 WAT O1 D -0.834000 15.9994 - 5129 SYS 1710 WAT H1 B 0.417000 1.0079 - 5130 SYS 1710 WAT H2 B 0.417000 1.0079 - 5131 SYS 1711 WAT O1 D -0.834000 15.9994 - 5132 SYS 1711 WAT H1 B 0.417000 1.0079 - 5133 SYS 1711 WAT H2 B 0.417000 1.0079 - 5134 SYS 1712 WAT O1 D -0.834000 15.9994 - 5135 SYS 1712 WAT H1 B 0.417000 1.0079 - 5136 SYS 1712 WAT H2 B 0.417000 1.0079 - 5137 SYS 1713 WAT O1 D -0.834000 15.9994 - 5138 SYS 1713 WAT H1 B 0.417000 1.0079 - 5139 SYS 1713 WAT H2 B 0.417000 1.0079 - 5140 SYS 1714 WAT O1 D -0.834000 15.9994 - 5141 SYS 1714 WAT H1 B 0.417000 1.0079 - 5142 SYS 1714 WAT H2 B 0.417000 1.0079 - 5143 SYS 1715 WAT O1 D -0.834000 15.9994 - 5144 SYS 1715 WAT H1 B 0.417000 1.0079 - 5145 SYS 1715 WAT H2 B 0.417000 1.0079 - 5146 SYS 1716 WAT O1 D -0.834000 15.9994 - 5147 SYS 1716 WAT H1 B 0.417000 1.0079 - 5148 SYS 1716 WAT H2 B 0.417000 1.0079 - 5149 SYS 1717 WAT O1 D -0.834000 15.9994 - 5150 SYS 1717 WAT H1 B 0.417000 1.0079 - 5151 SYS 1717 WAT H2 B 0.417000 1.0079 - 5152 SYS 1718 WAT O1 D -0.834000 15.9994 - 5153 SYS 1718 WAT H1 B 0.417000 1.0079 - 5154 SYS 1718 WAT H2 B 0.417000 1.0079 - 5155 SYS 1719 WAT O1 D -0.834000 15.9994 - 5156 SYS 1719 WAT H1 B 0.417000 1.0079 - 5157 SYS 1719 WAT H2 B 0.417000 1.0079 - 5158 SYS 1720 WAT O1 D -0.834000 15.9994 - 5159 SYS 1720 WAT H1 B 0.417000 1.0079 - 5160 SYS 1720 WAT H2 B 0.417000 1.0079 - 5161 SYS 1721 WAT O1 D -0.834000 15.9994 - 5162 SYS 1721 WAT H1 B 0.417000 1.0079 - 5163 SYS 1721 WAT H2 B 0.417000 1.0079 - 5164 SYS 1722 WAT O1 D -0.834000 15.9994 - 5165 SYS 1722 WAT H1 B 0.417000 1.0079 - 5166 SYS 1722 WAT H2 B 0.417000 1.0079 - 5167 SYS 1723 WAT O1 D -0.834000 15.9994 - 5168 SYS 1723 WAT H1 B 0.417000 1.0079 - 5169 SYS 1723 WAT H2 B 0.417000 1.0079 - 5170 SYS 1724 WAT O1 D -0.834000 15.9994 - 5171 SYS 1724 WAT H1 B 0.417000 1.0079 - 5172 SYS 1724 WAT H2 B 0.417000 1.0079 - 5173 SYS 1725 WAT O1 D -0.834000 15.9994 - 5174 SYS 1725 WAT H1 B 0.417000 1.0079 - 5175 SYS 1725 WAT H2 B 0.417000 1.0079 - 5176 SYS 1726 WAT O1 D -0.834000 15.9994 - 5177 SYS 1726 WAT H1 B 0.417000 1.0079 - 5178 SYS 1726 WAT H2 B 0.417000 1.0079 - 5179 SYS 1727 WAT O1 D -0.834000 15.9994 - 5180 SYS 1727 WAT H1 B 0.417000 1.0079 - 5181 SYS 1727 WAT H2 B 0.417000 1.0079 - 5182 SYS 1728 WAT O1 D -0.834000 15.9994 - 5183 SYS 1728 WAT H1 B 0.417000 1.0079 - 5184 SYS 1728 WAT H2 B 0.417000 1.0079 - 5185 SYS 1729 WAT O1 D -0.834000 15.9994 - 5186 SYS 1729 WAT H1 B 0.417000 1.0079 - 5187 SYS 1729 WAT H2 B 0.417000 1.0079 - 5188 SYS 1730 WAT O1 D -0.834000 15.9994 - 5189 SYS 1730 WAT H1 B 0.417000 1.0079 - 5190 SYS 1730 WAT H2 B 0.417000 1.0079 - 5191 SYS 1731 WAT O1 D -0.834000 15.9994 - 5192 SYS 1731 WAT H1 B 0.417000 1.0079 - 5193 SYS 1731 WAT H2 B 0.417000 1.0079 - 5194 SYS 1732 WAT O1 D -0.834000 15.9994 - 5195 SYS 1732 WAT H1 B 0.417000 1.0079 - 5196 SYS 1732 WAT H2 B 0.417000 1.0079 - 5197 SYS 1733 WAT O1 D -0.834000 15.9994 - 5198 SYS 1733 WAT H1 B 0.417000 1.0079 - 5199 SYS 1733 WAT H2 B 0.417000 1.0079 - 5200 SYS 1734 WAT O1 D -0.834000 15.9994 - 5201 SYS 1734 WAT H1 B 0.417000 1.0079 - 5202 SYS 1734 WAT H2 B 0.417000 1.0079 - 5203 SYS 1735 WAT O1 D -0.834000 15.9994 - 5204 SYS 1735 WAT H1 B 0.417000 1.0079 - 5205 SYS 1735 WAT H2 B 0.417000 1.0079 - 5206 SYS 1736 WAT O1 D -0.834000 15.9994 - 5207 SYS 1736 WAT H1 B 0.417000 1.0079 - 5208 SYS 1736 WAT H2 B 0.417000 1.0079 - 5209 SYS 1737 WAT O1 D -0.834000 15.9994 - 5210 SYS 1737 WAT H1 B 0.417000 1.0079 - 5211 SYS 1737 WAT H2 B 0.417000 1.0079 - 5212 SYS 1738 WAT O1 D -0.834000 15.9994 - 5213 SYS 1738 WAT H1 B 0.417000 1.0079 - 5214 SYS 1738 WAT H2 B 0.417000 1.0079 - 5215 SYS 1739 WAT O1 D -0.834000 15.9994 - 5216 SYS 1739 WAT H1 B 0.417000 1.0079 - 5217 SYS 1739 WAT H2 B 0.417000 1.0079 - 5218 SYS 1740 WAT O1 D -0.834000 15.9994 - 5219 SYS 1740 WAT H1 B 0.417000 1.0079 - 5220 SYS 1740 WAT H2 B 0.417000 1.0079 - 5221 SYS 1741 WAT O1 D -0.834000 15.9994 - 5222 SYS 1741 WAT H1 B 0.417000 1.0079 - 5223 SYS 1741 WAT H2 B 0.417000 1.0079 - 5224 SYS 1742 WAT O1 D -0.834000 15.9994 - 5225 SYS 1742 WAT H1 B 0.417000 1.0079 - 5226 SYS 1742 WAT H2 B 0.417000 1.0079 - 5227 SYS 1743 WAT O1 D -0.834000 15.9994 - 5228 SYS 1743 WAT H1 B 0.417000 1.0079 - 5229 SYS 1743 WAT H2 B 0.417000 1.0079 - 5230 SYS 1744 WAT O1 D -0.834000 15.9994 - 5231 SYS 1744 WAT H1 B 0.417000 1.0079 - 5232 SYS 1744 WAT H2 B 0.417000 1.0079 - 5233 SYS 1745 WAT O1 D -0.834000 15.9994 - 5234 SYS 1745 WAT H1 B 0.417000 1.0079 - 5235 SYS 1745 WAT H2 B 0.417000 1.0079 - 5236 SYS 1746 WAT O1 D -0.834000 15.9994 - 5237 SYS 1746 WAT H1 B 0.417000 1.0079 - 5238 SYS 1746 WAT H2 B 0.417000 1.0079 - 5239 SYS 1747 WAT O1 D -0.834000 15.9994 - 5240 SYS 1747 WAT H1 B 0.417000 1.0079 - 5241 SYS 1747 WAT H2 B 0.417000 1.0079 - 5242 SYS 1748 WAT O1 D -0.834000 15.9994 - 5243 SYS 1748 WAT H1 B 0.417000 1.0079 - 5244 SYS 1748 WAT H2 B 0.417000 1.0079 - 5245 SYS 1749 WAT O1 D -0.834000 15.9994 - 5246 SYS 1749 WAT H1 B 0.417000 1.0079 - 5247 SYS 1749 WAT H2 B 0.417000 1.0079 - 5248 SYS 1750 WAT O1 D -0.834000 15.9994 - 5249 SYS 1750 WAT H1 B 0.417000 1.0079 - 5250 SYS 1750 WAT H2 B 0.417000 1.0079 - 5251 SYS 1751 WAT O1 D -0.834000 15.9994 - 5252 SYS 1751 WAT H1 B 0.417000 1.0079 - 5253 SYS 1751 WAT H2 B 0.417000 1.0079 - 5254 SYS 1752 WAT O1 D -0.834000 15.9994 - 5255 SYS 1752 WAT H1 B 0.417000 1.0079 - 5256 SYS 1752 WAT H2 B 0.417000 1.0079 - 5257 SYS 1753 WAT O1 D -0.834000 15.9994 - 5258 SYS 1753 WAT H1 B 0.417000 1.0079 - 5259 SYS 1753 WAT H2 B 0.417000 1.0079 - 5260 SYS 1754 WAT O1 D -0.834000 15.9994 - 5261 SYS 1754 WAT H1 B 0.417000 1.0079 - 5262 SYS 1754 WAT H2 B 0.417000 1.0079 - 5263 SYS 1755 WAT O1 D -0.834000 15.9994 - 5264 SYS 1755 WAT H1 B 0.417000 1.0079 - 5265 SYS 1755 WAT H2 B 0.417000 1.0079 - 5266 SYS 1756 WAT O1 D -0.834000 15.9994 - 5267 SYS 1756 WAT H1 B 0.417000 1.0079 - 5268 SYS 1756 WAT H2 B 0.417000 1.0079 - 5269 SYS 1757 WAT O1 D -0.834000 15.9994 - 5270 SYS 1757 WAT H1 B 0.417000 1.0079 - 5271 SYS 1757 WAT H2 B 0.417000 1.0079 - 5272 SYS 1758 WAT O1 D -0.834000 15.9994 - 5273 SYS 1758 WAT H1 B 0.417000 1.0079 - 5274 SYS 1758 WAT H2 B 0.417000 1.0079 - 5275 SYS 1759 WAT O1 D -0.834000 15.9994 - 5276 SYS 1759 WAT H1 B 0.417000 1.0079 - 5277 SYS 1759 WAT H2 B 0.417000 1.0079 - 5278 SYS 1760 WAT O1 D -0.834000 15.9994 - 5279 SYS 1760 WAT H1 B 0.417000 1.0079 - 5280 SYS 1760 WAT H2 B 0.417000 1.0079 - 5281 SYS 1761 WAT O1 D -0.834000 15.9994 - 5282 SYS 1761 WAT H1 B 0.417000 1.0079 - 5283 SYS 1761 WAT H2 B 0.417000 1.0079 - 5284 SYS 1762 WAT O1 D -0.834000 15.9994 - 5285 SYS 1762 WAT H1 B 0.417000 1.0079 - 5286 SYS 1762 WAT H2 B 0.417000 1.0079 - 5287 SYS 1763 WAT O1 D -0.834000 15.9994 - 5288 SYS 1763 WAT H1 B 0.417000 1.0079 - 5289 SYS 1763 WAT H2 B 0.417000 1.0079 - 5290 SYS 1764 WAT O1 D -0.834000 15.9994 - 5291 SYS 1764 WAT H1 B 0.417000 1.0079 - 5292 SYS 1764 WAT H2 B 0.417000 1.0079 - 5293 SYS 1765 WAT O1 D -0.834000 15.9994 - 5294 SYS 1765 WAT H1 B 0.417000 1.0079 - 5295 SYS 1765 WAT H2 B 0.417000 1.0079 - 5296 SYS 1766 WAT O1 D -0.834000 15.9994 - 5297 SYS 1766 WAT H1 B 0.417000 1.0079 - 5298 SYS 1766 WAT H2 B 0.417000 1.0079 - 5299 SYS 1767 WAT O1 D -0.834000 15.9994 - 5300 SYS 1767 WAT H1 B 0.417000 1.0079 - 5301 SYS 1767 WAT H2 B 0.417000 1.0079 - 5302 SYS 1768 WAT O1 D -0.834000 15.9994 - 5303 SYS 1768 WAT H1 B 0.417000 1.0079 - 5304 SYS 1768 WAT H2 B 0.417000 1.0079 - 5305 SYS 1769 WAT O1 D -0.834000 15.9994 - 5306 SYS 1769 WAT H1 B 0.417000 1.0079 - 5307 SYS 1769 WAT H2 B 0.417000 1.0079 - 5308 SYS 1770 WAT O1 D -0.834000 15.9994 - 5309 SYS 1770 WAT H1 B 0.417000 1.0079 - 5310 SYS 1770 WAT H2 B 0.417000 1.0079 - 5311 SYS 1771 WAT O1 D -0.834000 15.9994 - 5312 SYS 1771 WAT H1 B 0.417000 1.0079 - 5313 SYS 1771 WAT H2 B 0.417000 1.0079 - 5314 SYS 1772 WAT O1 D -0.834000 15.9994 - 5315 SYS 1772 WAT H1 B 0.417000 1.0079 - 5316 SYS 1772 WAT H2 B 0.417000 1.0079 - 5317 SYS 1773 WAT O1 D -0.834000 15.9994 - 5318 SYS 1773 WAT H1 B 0.417000 1.0079 - 5319 SYS 1773 WAT H2 B 0.417000 1.0079 - 5320 SYS 1774 WAT O1 D -0.834000 15.9994 - 5321 SYS 1774 WAT H1 B 0.417000 1.0079 - 5322 SYS 1774 WAT H2 B 0.417000 1.0079 - 5323 SYS 1775 WAT O1 D -0.834000 15.9994 - 5324 SYS 1775 WAT H1 B 0.417000 1.0079 - 5325 SYS 1775 WAT H2 B 0.417000 1.0079 - 5326 SYS 1776 WAT O1 D -0.834000 15.9994 - 5327 SYS 1776 WAT H1 B 0.417000 1.0079 - 5328 SYS 1776 WAT H2 B 0.417000 1.0079 - 5329 SYS 1777 WAT O1 D -0.834000 15.9994 - 5330 SYS 1777 WAT H1 B 0.417000 1.0079 - 5331 SYS 1777 WAT H2 B 0.417000 1.0079 - 5332 SYS 1778 WAT O1 D -0.834000 15.9994 - 5333 SYS 1778 WAT H1 B 0.417000 1.0079 - 5334 SYS 1778 WAT H2 B 0.417000 1.0079 - 5335 SYS 1779 WAT O1 D -0.834000 15.9994 - 5336 SYS 1779 WAT H1 B 0.417000 1.0079 - 5337 SYS 1779 WAT H2 B 0.417000 1.0079 - 5338 SYS 1780 WAT O1 D -0.834000 15.9994 - 5339 SYS 1780 WAT H1 B 0.417000 1.0079 - 5340 SYS 1780 WAT H2 B 0.417000 1.0079 - 5341 SYS 1781 WAT O1 D -0.834000 15.9994 - 5342 SYS 1781 WAT H1 B 0.417000 1.0079 - 5343 SYS 1781 WAT H2 B 0.417000 1.0079 - 5344 SYS 1782 WAT O1 D -0.834000 15.9994 - 5345 SYS 1782 WAT H1 B 0.417000 1.0079 - 5346 SYS 1782 WAT H2 B 0.417000 1.0079 - 5347 SYS 1783 WAT O1 D -0.834000 15.9994 - 5348 SYS 1783 WAT H1 B 0.417000 1.0079 - 5349 SYS 1783 WAT H2 B 0.417000 1.0079 - 5350 SYS 1784 WAT O1 D -0.834000 15.9994 - 5351 SYS 1784 WAT H1 B 0.417000 1.0079 - 5352 SYS 1784 WAT H2 B 0.417000 1.0079 - 5353 SYS 1785 WAT O1 D -0.834000 15.9994 - 5354 SYS 1785 WAT H1 B 0.417000 1.0079 - 5355 SYS 1785 WAT H2 B 0.417000 1.0079 - 5356 SYS 1786 WAT O1 D -0.834000 15.9994 - 5357 SYS 1786 WAT H1 B 0.417000 1.0079 - 5358 SYS 1786 WAT H2 B 0.417000 1.0079 - 5359 SYS 1787 WAT O1 D -0.834000 15.9994 - 5360 SYS 1787 WAT H1 B 0.417000 1.0079 - 5361 SYS 1787 WAT H2 B 0.417000 1.0079 - 5362 SYS 1788 WAT O1 D -0.834000 15.9994 - 5363 SYS 1788 WAT H1 B 0.417000 1.0079 - 5364 SYS 1788 WAT H2 B 0.417000 1.0079 - 5365 SYS 1789 WAT O1 D -0.834000 15.9994 - 5366 SYS 1789 WAT H1 B 0.417000 1.0079 - 5367 SYS 1789 WAT H2 B 0.417000 1.0079 - 5368 SYS 1790 WAT O1 D -0.834000 15.9994 - 5369 SYS 1790 WAT H1 B 0.417000 1.0079 - 5370 SYS 1790 WAT H2 B 0.417000 1.0079 - 5371 SYS 1791 WAT O1 D -0.834000 15.9994 - 5372 SYS 1791 WAT H1 B 0.417000 1.0079 - 5373 SYS 1791 WAT H2 B 0.417000 1.0079 - 5374 SYS 1792 WAT O1 D -0.834000 15.9994 - 5375 SYS 1792 WAT H1 B 0.417000 1.0079 - 5376 SYS 1792 WAT H2 B 0.417000 1.0079 - 5377 SYS 1793 WAT O1 D -0.834000 15.9994 - 5378 SYS 1793 WAT H1 B 0.417000 1.0079 - 5379 SYS 1793 WAT H2 B 0.417000 1.0079 - 5380 SYS 1794 WAT O1 D -0.834000 15.9994 - 5381 SYS 1794 WAT H1 B 0.417000 1.0079 - 5382 SYS 1794 WAT H2 B 0.417000 1.0079 - 5383 SYS 1795 WAT O1 D -0.834000 15.9994 - 5384 SYS 1795 WAT H1 B 0.417000 1.0079 - 5385 SYS 1795 WAT H2 B 0.417000 1.0079 - 5386 SYS 1796 WAT O1 D -0.834000 15.9994 - 5387 SYS 1796 WAT H1 B 0.417000 1.0079 - 5388 SYS 1796 WAT H2 B 0.417000 1.0079 - 5389 SYS 1797 WAT O1 D -0.834000 15.9994 - 5390 SYS 1797 WAT H1 B 0.417000 1.0079 - 5391 SYS 1797 WAT H2 B 0.417000 1.0079 - 5392 SYS 1798 WAT O1 D -0.834000 15.9994 - 5393 SYS 1798 WAT H1 B 0.417000 1.0079 - 5394 SYS 1798 WAT H2 B 0.417000 1.0079 - 5395 SYS 1799 WAT O1 D -0.834000 15.9994 - 5396 SYS 1799 WAT H1 B 0.417000 1.0079 - 5397 SYS 1799 WAT H2 B 0.417000 1.0079 - 5398 SYS 1800 WAT O1 D -0.834000 15.9994 - 5399 SYS 1800 WAT H1 B 0.417000 1.0079 - 5400 SYS 1800 WAT H2 B 0.417000 1.0079 - 5401 SYS 1801 WAT O1 D -0.834000 15.9994 - 5402 SYS 1801 WAT H1 B 0.417000 1.0079 - 5403 SYS 1801 WAT H2 B 0.417000 1.0079 - 5404 SYS 1802 WAT O1 D -0.834000 15.9994 - 5405 SYS 1802 WAT H1 B 0.417000 1.0079 - 5406 SYS 1802 WAT H2 B 0.417000 1.0079 - 5407 SYS 1803 WAT O1 D -0.834000 15.9994 - 5408 SYS 1803 WAT H1 B 0.417000 1.0079 - 5409 SYS 1803 WAT H2 B 0.417000 1.0079 - 5410 SYS 1804 WAT O1 D -0.834000 15.9994 - 5411 SYS 1804 WAT H1 B 0.417000 1.0079 - 5412 SYS 1804 WAT H2 B 0.417000 1.0079 - 5413 SYS 1805 WAT O1 D -0.834000 15.9994 - 5414 SYS 1805 WAT H1 B 0.417000 1.0079 - 5415 SYS 1805 WAT H2 B 0.417000 1.0079 - 5416 SYS 1806 WAT O1 D -0.834000 15.9994 - 5417 SYS 1806 WAT H1 B 0.417000 1.0079 - 5418 SYS 1806 WAT H2 B 0.417000 1.0079 - 5419 SYS 1807 WAT O1 D -0.834000 15.9994 - 5420 SYS 1807 WAT H1 B 0.417000 1.0079 - 5421 SYS 1807 WAT H2 B 0.417000 1.0079 - 5422 SYS 1808 WAT O1 D -0.834000 15.9994 - 5423 SYS 1808 WAT H1 B 0.417000 1.0079 - 5424 SYS 1808 WAT H2 B 0.417000 1.0079 - 5425 SYS 1809 WAT O1 D -0.834000 15.9994 - 5426 SYS 1809 WAT H1 B 0.417000 1.0079 - 5427 SYS 1809 WAT H2 B 0.417000 1.0079 - 5428 SYS 1810 WAT O1 D -0.834000 15.9994 - 5429 SYS 1810 WAT H1 B 0.417000 1.0079 - 5430 SYS 1810 WAT H2 B 0.417000 1.0079 - 5431 SYS 1811 WAT O1 D -0.834000 15.9994 - 5432 SYS 1811 WAT H1 B 0.417000 1.0079 - 5433 SYS 1811 WAT H2 B 0.417000 1.0079 - 5434 SYS 1812 WAT O1 D -0.834000 15.9994 - 5435 SYS 1812 WAT H1 B 0.417000 1.0079 - 5436 SYS 1812 WAT H2 B 0.417000 1.0079 - 5437 SYS 1813 WAT O1 D -0.834000 15.9994 - 5438 SYS 1813 WAT H1 B 0.417000 1.0079 - 5439 SYS 1813 WAT H2 B 0.417000 1.0079 - 5440 SYS 1814 WAT O1 D -0.834000 15.9994 - 5441 SYS 1814 WAT H1 B 0.417000 1.0079 - 5442 SYS 1814 WAT H2 B 0.417000 1.0079 - 5443 SYS 1815 WAT O1 D -0.834000 15.9994 - 5444 SYS 1815 WAT H1 B 0.417000 1.0079 - 5445 SYS 1815 WAT H2 B 0.417000 1.0079 - 5446 SYS 1816 WAT O1 D -0.834000 15.9994 - 5447 SYS 1816 WAT H1 B 0.417000 1.0079 - 5448 SYS 1816 WAT H2 B 0.417000 1.0079 - 5449 SYS 1817 WAT O1 D -0.834000 15.9994 - 5450 SYS 1817 WAT H1 B 0.417000 1.0079 - 5451 SYS 1817 WAT H2 B 0.417000 1.0079 - 5452 SYS 1818 WAT O1 D -0.834000 15.9994 - 5453 SYS 1818 WAT H1 B 0.417000 1.0079 - 5454 SYS 1818 WAT H2 B 0.417000 1.0079 - 5455 SYS 1819 WAT O1 D -0.834000 15.9994 - 5456 SYS 1819 WAT H1 B 0.417000 1.0079 - 5457 SYS 1819 WAT H2 B 0.417000 1.0079 - 5458 SYS 1820 WAT O1 D -0.834000 15.9994 - 5459 SYS 1820 WAT H1 B 0.417000 1.0079 - 5460 SYS 1820 WAT H2 B 0.417000 1.0079 - 5461 SYS 1821 WAT O1 D -0.834000 15.9994 - 5462 SYS 1821 WAT H1 B 0.417000 1.0079 - 5463 SYS 1821 WAT H2 B 0.417000 1.0079 - 5464 SYS 1822 WAT O1 D -0.834000 15.9994 - 5465 SYS 1822 WAT H1 B 0.417000 1.0079 - 5466 SYS 1822 WAT H2 B 0.417000 1.0079 - 5467 SYS 1823 WAT O1 D -0.834000 15.9994 - 5468 SYS 1823 WAT H1 B 0.417000 1.0079 - 5469 SYS 1823 WAT H2 B 0.417000 1.0079 - 5470 SYS 1824 WAT O1 D -0.834000 15.9994 - 5471 SYS 1824 WAT H1 B 0.417000 1.0079 - 5472 SYS 1824 WAT H2 B 0.417000 1.0079 - 5473 SYS 1825 WAT O1 D -0.834000 15.9994 - 5474 SYS 1825 WAT H1 B 0.417000 1.0079 - 5475 SYS 1825 WAT H2 B 0.417000 1.0079 - 5476 SYS 1826 WAT O1 D -0.834000 15.9994 - 5477 SYS 1826 WAT H1 B 0.417000 1.0079 - 5478 SYS 1826 WAT H2 B 0.417000 1.0079 - 5479 SYS 1827 WAT O1 D -0.834000 15.9994 - 5480 SYS 1827 WAT H1 B 0.417000 1.0079 - 5481 SYS 1827 WAT H2 B 0.417000 1.0079 - 5482 SYS 1828 WAT O1 D -0.834000 15.9994 - 5483 SYS 1828 WAT H1 B 0.417000 1.0079 - 5484 SYS 1828 WAT H2 B 0.417000 1.0079 - 5485 SYS 1829 WAT O1 D -0.834000 15.9994 - 5486 SYS 1829 WAT H1 B 0.417000 1.0079 - 5487 SYS 1829 WAT H2 B 0.417000 1.0079 - 5488 SYS 1830 WAT O1 D -0.834000 15.9994 - 5489 SYS 1830 WAT H1 B 0.417000 1.0079 - 5490 SYS 1830 WAT H2 B 0.417000 1.0079 - 5491 SYS 1831 WAT O1 D -0.834000 15.9994 - 5492 SYS 1831 WAT H1 B 0.417000 1.0079 - 5493 SYS 1831 WAT H2 B 0.417000 1.0079 - 5494 SYS 1832 WAT O1 D -0.834000 15.9994 - 5495 SYS 1832 WAT H1 B 0.417000 1.0079 - 5496 SYS 1832 WAT H2 B 0.417000 1.0079 - 5497 SYS 1833 WAT O1 D -0.834000 15.9994 - 5498 SYS 1833 WAT H1 B 0.417000 1.0079 - 5499 SYS 1833 WAT H2 B 0.417000 1.0079 - 5500 SYS 1834 WAT O1 D -0.834000 15.9994 - 5501 SYS 1834 WAT H1 B 0.417000 1.0079 - 5502 SYS 1834 WAT H2 B 0.417000 1.0079 - 5503 SYS 1835 WAT O1 D -0.834000 15.9994 - 5504 SYS 1835 WAT H1 B 0.417000 1.0079 - 5505 SYS 1835 WAT H2 B 0.417000 1.0079 - 5506 SYS 1836 WAT O1 D -0.834000 15.9994 - 5507 SYS 1836 WAT H1 B 0.417000 1.0079 - 5508 SYS 1836 WAT H2 B 0.417000 1.0079 - 5509 SYS 1837 WAT O1 D -0.834000 15.9994 - 5510 SYS 1837 WAT H1 B 0.417000 1.0079 - 5511 SYS 1837 WAT H2 B 0.417000 1.0079 - 5512 SYS 1838 WAT O1 D -0.834000 15.9994 - 5513 SYS 1838 WAT H1 B 0.417000 1.0079 - 5514 SYS 1838 WAT H2 B 0.417000 1.0079 - 5515 SYS 1839 WAT O1 D -0.834000 15.9994 - 5516 SYS 1839 WAT H1 B 0.417000 1.0079 - 5517 SYS 1839 WAT H2 B 0.417000 1.0079 - 5518 SYS 1840 WAT O1 D -0.834000 15.9994 - 5519 SYS 1840 WAT H1 B 0.417000 1.0079 - 5520 SYS 1840 WAT H2 B 0.417000 1.0079 - 5521 SYS 1841 WAT O1 D -0.834000 15.9994 - 5522 SYS 1841 WAT H1 B 0.417000 1.0079 - 5523 SYS 1841 WAT H2 B 0.417000 1.0079 - 5524 SYS 1842 WAT O1 D -0.834000 15.9994 - 5525 SYS 1842 WAT H1 B 0.417000 1.0079 - 5526 SYS 1842 WAT H2 B 0.417000 1.0079 - 5527 SYS 1843 WAT O1 D -0.834000 15.9994 - 5528 SYS 1843 WAT H1 B 0.417000 1.0079 - 5529 SYS 1843 WAT H2 B 0.417000 1.0079 - 5530 SYS 1844 WAT O1 D -0.834000 15.9994 - 5531 SYS 1844 WAT H1 B 0.417000 1.0079 - 5532 SYS 1844 WAT H2 B 0.417000 1.0079 - 5533 SYS 1845 WAT O1 D -0.834000 15.9994 - 5534 SYS 1845 WAT H1 B 0.417000 1.0079 - 5535 SYS 1845 WAT H2 B 0.417000 1.0079 - 5536 SYS 1846 WAT O1 D -0.834000 15.9994 - 5537 SYS 1846 WAT H1 B 0.417000 1.0079 - 5538 SYS 1846 WAT H2 B 0.417000 1.0079 - 5539 SYS 1847 WAT O1 D -0.834000 15.9994 - 5540 SYS 1847 WAT H1 B 0.417000 1.0079 - 5541 SYS 1847 WAT H2 B 0.417000 1.0079 - 5542 SYS 1848 WAT O1 D -0.834000 15.9994 - 5543 SYS 1848 WAT H1 B 0.417000 1.0079 - 5544 SYS 1848 WAT H2 B 0.417000 1.0079 - 5545 SYS 1849 WAT O1 D -0.834000 15.9994 - 5546 SYS 1849 WAT H1 B 0.417000 1.0079 - 5547 SYS 1849 WAT H2 B 0.417000 1.0079 - 5548 SYS 1850 WAT O1 D -0.834000 15.9994 - 5549 SYS 1850 WAT H1 B 0.417000 1.0079 - 5550 SYS 1850 WAT H2 B 0.417000 1.0079 - 5551 SYS 1851 WAT O1 D -0.834000 15.9994 - 5552 SYS 1851 WAT H1 B 0.417000 1.0079 - 5553 SYS 1851 WAT H2 B 0.417000 1.0079 - 5554 SYS 1852 WAT O1 D -0.834000 15.9994 - 5555 SYS 1852 WAT H1 B 0.417000 1.0079 - 5556 SYS 1852 WAT H2 B 0.417000 1.0079 - 5557 SYS 1853 WAT O1 D -0.834000 15.9994 - 5558 SYS 1853 WAT H1 B 0.417000 1.0079 - 5559 SYS 1853 WAT H2 B 0.417000 1.0079 - 5560 SYS 1854 WAT O1 D -0.834000 15.9994 - 5561 SYS 1854 WAT H1 B 0.417000 1.0079 - 5562 SYS 1854 WAT H2 B 0.417000 1.0079 - 5563 SYS 1855 WAT O1 D -0.834000 15.9994 - 5564 SYS 1855 WAT H1 B 0.417000 1.0079 - 5565 SYS 1855 WAT H2 B 0.417000 1.0079 - 5566 SYS 1856 WAT O1 D -0.834000 15.9994 - 5567 SYS 1856 WAT H1 B 0.417000 1.0079 - 5568 SYS 1856 WAT H2 B 0.417000 1.0079 - 5569 SYS 1857 WAT O1 D -0.834000 15.9994 - 5570 SYS 1857 WAT H1 B 0.417000 1.0079 - 5571 SYS 1857 WAT H2 B 0.417000 1.0079 - 5572 SYS 1858 WAT O1 D -0.834000 15.9994 - 5573 SYS 1858 WAT H1 B 0.417000 1.0079 - 5574 SYS 1858 WAT H2 B 0.417000 1.0079 - 5575 SYS 1859 WAT O1 D -0.834000 15.9994 - 5576 SYS 1859 WAT H1 B 0.417000 1.0079 - 5577 SYS 1859 WAT H2 B 0.417000 1.0079 - 5578 SYS 1860 WAT O1 D -0.834000 15.9994 - 5579 SYS 1860 WAT H1 B 0.417000 1.0079 - 5580 SYS 1860 WAT H2 B 0.417000 1.0079 - 5581 SYS 1861 WAT O1 D -0.834000 15.9994 - 5582 SYS 1861 WAT H1 B 0.417000 1.0079 - 5583 SYS 1861 WAT H2 B 0.417000 1.0079 - 5584 SYS 1862 WAT O1 D -0.834000 15.9994 - 5585 SYS 1862 WAT H1 B 0.417000 1.0079 - 5586 SYS 1862 WAT H2 B 0.417000 1.0079 - 5587 SYS 1863 WAT O1 D -0.834000 15.9994 - 5588 SYS 1863 WAT H1 B 0.417000 1.0079 - 5589 SYS 1863 WAT H2 B 0.417000 1.0079 - 5590 SYS 1864 WAT O1 D -0.834000 15.9994 - 5591 SYS 1864 WAT H1 B 0.417000 1.0079 - 5592 SYS 1864 WAT H2 B 0.417000 1.0079 - 5593 SYS 1865 WAT O1 D -0.834000 15.9994 - 5594 SYS 1865 WAT H1 B 0.417000 1.0079 - 5595 SYS 1865 WAT H2 B 0.417000 1.0079 - 5596 SYS 1866 WAT O1 D -0.834000 15.9994 - 5597 SYS 1866 WAT H1 B 0.417000 1.0079 - 5598 SYS 1866 WAT H2 B 0.417000 1.0079 - 5599 SYS 1867 WAT O1 D -0.834000 15.9994 - 5600 SYS 1867 WAT H1 B 0.417000 1.0079 - 5601 SYS 1867 WAT H2 B 0.417000 1.0079 - 5602 SYS 1868 WAT O1 D -0.834000 15.9994 - 5603 SYS 1868 WAT H1 B 0.417000 1.0079 - 5604 SYS 1868 WAT H2 B 0.417000 1.0079 - 5605 SYS 1869 WAT O1 D -0.834000 15.9994 - 5606 SYS 1869 WAT H1 B 0.417000 1.0079 - 5607 SYS 1869 WAT H2 B 0.417000 1.0079 - 5608 SYS 1870 WAT O1 D -0.834000 15.9994 - 5609 SYS 1870 WAT H1 B 0.417000 1.0079 - 5610 SYS 1870 WAT H2 B 0.417000 1.0079 - 5611 SYS 1871 WAT O1 D -0.834000 15.9994 - 5612 SYS 1871 WAT H1 B 0.417000 1.0079 - 5613 SYS 1871 WAT H2 B 0.417000 1.0079 - 5614 SYS 1872 WAT O1 D -0.834000 15.9994 - 5615 SYS 1872 WAT H1 B 0.417000 1.0079 - 5616 SYS 1872 WAT H2 B 0.417000 1.0079 - 5617 SYS 1873 WAT O1 D -0.834000 15.9994 - 5618 SYS 1873 WAT H1 B 0.417000 1.0079 - 5619 SYS 1873 WAT H2 B 0.417000 1.0079 - 5620 SYS 1874 WAT O1 D -0.834000 15.9994 - 5621 SYS 1874 WAT H1 B 0.417000 1.0079 - 5622 SYS 1874 WAT H2 B 0.417000 1.0079 - 5623 SYS 1875 WAT O1 D -0.834000 15.9994 - 5624 SYS 1875 WAT H1 B 0.417000 1.0079 - 5625 SYS 1875 WAT H2 B 0.417000 1.0079 - 5626 SYS 1876 WAT O1 D -0.834000 15.9994 - 5627 SYS 1876 WAT H1 B 0.417000 1.0079 - 5628 SYS 1876 WAT H2 B 0.417000 1.0079 - 5629 SYS 1877 WAT O1 D -0.834000 15.9994 - 5630 SYS 1877 WAT H1 B 0.417000 1.0079 - 5631 SYS 1877 WAT H2 B 0.417000 1.0079 - 5632 SYS 1878 WAT O1 D -0.834000 15.9994 - 5633 SYS 1878 WAT H1 B 0.417000 1.0079 - 5634 SYS 1878 WAT H2 B 0.417000 1.0079 - 5635 SYS 1879 WAT O1 D -0.834000 15.9994 - 5636 SYS 1879 WAT H1 B 0.417000 1.0079 - 5637 SYS 1879 WAT H2 B 0.417000 1.0079 - 5638 SYS 1880 WAT O1 D -0.834000 15.9994 - 5639 SYS 1880 WAT H1 B 0.417000 1.0079 - 5640 SYS 1880 WAT H2 B 0.417000 1.0079 - 5641 SYS 1881 WAT O1 D -0.834000 15.9994 - 5642 SYS 1881 WAT H1 B 0.417000 1.0079 - 5643 SYS 1881 WAT H2 B 0.417000 1.0079 - 5644 SYS 1882 WAT O1 D -0.834000 15.9994 - 5645 SYS 1882 WAT H1 B 0.417000 1.0079 - 5646 SYS 1882 WAT H2 B 0.417000 1.0079 - 5647 SYS 1883 WAT O1 D -0.834000 15.9994 - 5648 SYS 1883 WAT H1 B 0.417000 1.0079 - 5649 SYS 1883 WAT H2 B 0.417000 1.0079 - 5650 SYS 1884 WAT O1 D -0.834000 15.9994 - 5651 SYS 1884 WAT H1 B 0.417000 1.0079 - 5652 SYS 1884 WAT H2 B 0.417000 1.0079 - 5653 SYS 1885 WAT O1 D -0.834000 15.9994 - 5654 SYS 1885 WAT H1 B 0.417000 1.0079 - 5655 SYS 1885 WAT H2 B 0.417000 1.0079 - 5656 SYS 1886 WAT O1 D -0.834000 15.9994 - 5657 SYS 1886 WAT H1 B 0.417000 1.0079 - 5658 SYS 1886 WAT H2 B 0.417000 1.0079 - 5659 SYS 1887 WAT O1 D -0.834000 15.9994 - 5660 SYS 1887 WAT H1 B 0.417000 1.0079 - 5661 SYS 1887 WAT H2 B 0.417000 1.0079 - 5662 SYS 1888 WAT O1 D -0.834000 15.9994 - 5663 SYS 1888 WAT H1 B 0.417000 1.0079 - 5664 SYS 1888 WAT H2 B 0.417000 1.0079 - 5665 SYS 1889 WAT O1 D -0.834000 15.9994 - 5666 SYS 1889 WAT H1 B 0.417000 1.0079 - 5667 SYS 1889 WAT H2 B 0.417000 1.0079 - 5668 SYS 1890 WAT O1 D -0.834000 15.9994 - 5669 SYS 1890 WAT H1 B 0.417000 1.0079 - 5670 SYS 1890 WAT H2 B 0.417000 1.0079 - 5671 SYS 1891 WAT O1 D -0.834000 15.9994 - 5672 SYS 1891 WAT H1 B 0.417000 1.0079 - 5673 SYS 1891 WAT H2 B 0.417000 1.0079 - 5674 SYS 1892 WAT O1 D -0.834000 15.9994 - 5675 SYS 1892 WAT H1 B 0.417000 1.0079 - 5676 SYS 1892 WAT H2 B 0.417000 1.0079 - 5677 SYS 1893 WAT O1 D -0.834000 15.9994 - 5678 SYS 1893 WAT H1 B 0.417000 1.0079 - 5679 SYS 1893 WAT H2 B 0.417000 1.0079 - 5680 SYS 1894 WAT O1 D -0.834000 15.9994 - 5681 SYS 1894 WAT H1 B 0.417000 1.0079 - 5682 SYS 1894 WAT H2 B 0.417000 1.0079 - 5683 SYS 1895 WAT O1 D -0.834000 15.9994 - 5684 SYS 1895 WAT H1 B 0.417000 1.0079 - 5685 SYS 1895 WAT H2 B 0.417000 1.0079 - 5686 SYS 1896 WAT O1 D -0.834000 15.9994 - 5687 SYS 1896 WAT H1 B 0.417000 1.0079 - 5688 SYS 1896 WAT H2 B 0.417000 1.0079 - 5689 SYS 1897 WAT O1 D -0.834000 15.9994 - 5690 SYS 1897 WAT H1 B 0.417000 1.0079 - 5691 SYS 1897 WAT H2 B 0.417000 1.0079 - 5692 SYS 1898 WAT O1 D -0.834000 15.9994 - 5693 SYS 1898 WAT H1 B 0.417000 1.0079 - 5694 SYS 1898 WAT H2 B 0.417000 1.0079 - 5695 SYS 1899 WAT O1 D -0.834000 15.9994 - 5696 SYS 1899 WAT H1 B 0.417000 1.0079 - 5697 SYS 1899 WAT H2 B 0.417000 1.0079 - 5698 SYS 1900 WAT O1 D -0.834000 15.9994 - 5699 SYS 1900 WAT H1 B 0.417000 1.0079 - 5700 SYS 1900 WAT H2 B 0.417000 1.0079 - 5701 SYS 1901 WAT O1 D -0.834000 15.9994 - 5702 SYS 1901 WAT H1 B 0.417000 1.0079 - 5703 SYS 1901 WAT H2 B 0.417000 1.0079 - 5704 SYS 1902 WAT O1 D -0.834000 15.9994 - 5705 SYS 1902 WAT H1 B 0.417000 1.0079 - 5706 SYS 1902 WAT H2 B 0.417000 1.0079 - 5707 SYS 1903 WAT O1 D -0.834000 15.9994 - 5708 SYS 1903 WAT H1 B 0.417000 1.0079 - 5709 SYS 1903 WAT H2 B 0.417000 1.0079 - 5710 SYS 1904 WAT O1 D -0.834000 15.9994 - 5711 SYS 1904 WAT H1 B 0.417000 1.0079 - 5712 SYS 1904 WAT H2 B 0.417000 1.0079 - 5713 SYS 1905 WAT O1 D -0.834000 15.9994 - 5714 SYS 1905 WAT H1 B 0.417000 1.0079 - 5715 SYS 1905 WAT H2 B 0.417000 1.0079 - 5716 SYS 1906 WAT O1 D -0.834000 15.9994 - 5717 SYS 1906 WAT H1 B 0.417000 1.0079 - 5718 SYS 1906 WAT H2 B 0.417000 1.0079 - 5719 SYS 1907 WAT O1 D -0.834000 15.9994 - 5720 SYS 1907 WAT H1 B 0.417000 1.0079 - 5721 SYS 1907 WAT H2 B 0.417000 1.0079 - 5722 SYS 1908 WAT O1 D -0.834000 15.9994 - 5723 SYS 1908 WAT H1 B 0.417000 1.0079 - 5724 SYS 1908 WAT H2 B 0.417000 1.0079 - 5725 SYS 1909 WAT O1 D -0.834000 15.9994 - 5726 SYS 1909 WAT H1 B 0.417000 1.0079 - 5727 SYS 1909 WAT H2 B 0.417000 1.0079 - 5728 SYS 1910 WAT O1 D -0.834000 15.9994 - 5729 SYS 1910 WAT H1 B 0.417000 1.0079 - 5730 SYS 1910 WAT H2 B 0.417000 1.0079 - 5731 SYS 1911 WAT O1 D -0.834000 15.9994 - 5732 SYS 1911 WAT H1 B 0.417000 1.0079 - 5733 SYS 1911 WAT H2 B 0.417000 1.0079 - 5734 SYS 1912 WAT O1 D -0.834000 15.9994 - 5735 SYS 1912 WAT H1 B 0.417000 1.0079 - 5736 SYS 1912 WAT H2 B 0.417000 1.0079 - 5737 SYS 1913 WAT O1 D -0.834000 15.9994 - 5738 SYS 1913 WAT H1 B 0.417000 1.0079 - 5739 SYS 1913 WAT H2 B 0.417000 1.0079 - 5740 SYS 1914 WAT O1 D -0.834000 15.9994 - 5741 SYS 1914 WAT H1 B 0.417000 1.0079 - 5742 SYS 1914 WAT H2 B 0.417000 1.0079 - 5743 SYS 1915 WAT O1 D -0.834000 15.9994 - 5744 SYS 1915 WAT H1 B 0.417000 1.0079 - 5745 SYS 1915 WAT H2 B 0.417000 1.0079 - 5746 SYS 1916 WAT O1 D -0.834000 15.9994 - 5747 SYS 1916 WAT H1 B 0.417000 1.0079 - 5748 SYS 1916 WAT H2 B 0.417000 1.0079 - 5749 SYS 1917 WAT O1 D -0.834000 15.9994 - 5750 SYS 1917 WAT H1 B 0.417000 1.0079 - 5751 SYS 1917 WAT H2 B 0.417000 1.0079 - 5752 SYS 1918 WAT O1 D -0.834000 15.9994 - 5753 SYS 1918 WAT H1 B 0.417000 1.0079 - 5754 SYS 1918 WAT H2 B 0.417000 1.0079 - 5755 SYS 1919 WAT O1 D -0.834000 15.9994 - 5756 SYS 1919 WAT H1 B 0.417000 1.0079 - 5757 SYS 1919 WAT H2 B 0.417000 1.0079 - 5758 SYS 1920 WAT O1 D -0.834000 15.9994 - 5759 SYS 1920 WAT H1 B 0.417000 1.0079 - 5760 SYS 1920 WAT H2 B 0.417000 1.0079 - 5761 SYS 1921 WAT O1 D -0.834000 15.9994 - 5762 SYS 1921 WAT H1 B 0.417000 1.0079 - 5763 SYS 1921 WAT H2 B 0.417000 1.0079 - 5764 SYS 1922 WAT O1 D -0.834000 15.9994 - 5765 SYS 1922 WAT H1 B 0.417000 1.0079 - 5766 SYS 1922 WAT H2 B 0.417000 1.0079 - 5767 SYS 1923 WAT O1 D -0.834000 15.9994 - 5768 SYS 1923 WAT H1 B 0.417000 1.0079 - 5769 SYS 1923 WAT H2 B 0.417000 1.0079 - 5770 SYS 1924 WAT O1 D -0.834000 15.9994 - 5771 SYS 1924 WAT H1 B 0.417000 1.0079 - 5772 SYS 1924 WAT H2 B 0.417000 1.0079 - 5773 SYS 1925 WAT O1 D -0.834000 15.9994 - 5774 SYS 1925 WAT H1 B 0.417000 1.0079 - 5775 SYS 1925 WAT H2 B 0.417000 1.0079 - 5776 SYS 1926 WAT O1 D -0.834000 15.9994 - 5777 SYS 1926 WAT H1 B 0.417000 1.0079 - 5778 SYS 1926 WAT H2 B 0.417000 1.0079 - 5779 SYS 1927 WAT O1 D -0.834000 15.9994 - 5780 SYS 1927 WAT H1 B 0.417000 1.0079 - 5781 SYS 1927 WAT H2 B 0.417000 1.0079 - 5782 SYS 1928 WAT O1 D -0.834000 15.9994 - 5783 SYS 1928 WAT H1 B 0.417000 1.0079 - 5784 SYS 1928 WAT H2 B 0.417000 1.0079 - 5785 SYS 1929 WAT O1 D -0.834000 15.9994 - 5786 SYS 1929 WAT H1 B 0.417000 1.0079 - 5787 SYS 1929 WAT H2 B 0.417000 1.0079 - 5788 SYS 1930 WAT O1 D -0.834000 15.9994 - 5789 SYS 1930 WAT H1 B 0.417000 1.0079 - 5790 SYS 1930 WAT H2 B 0.417000 1.0079 - 5791 SYS 1931 WAT O1 D -0.834000 15.9994 - 5792 SYS 1931 WAT H1 B 0.417000 1.0079 - 5793 SYS 1931 WAT H2 B 0.417000 1.0079 - 5794 SYS 1932 WAT O1 D -0.834000 15.9994 - 5795 SYS 1932 WAT H1 B 0.417000 1.0079 - 5796 SYS 1932 WAT H2 B 0.417000 1.0079 - 5797 SYS 1933 WAT O1 D -0.834000 15.9994 - 5798 SYS 1933 WAT H1 B 0.417000 1.0079 - 5799 SYS 1933 WAT H2 B 0.417000 1.0079 - 5800 SYS 1934 WAT O1 D -0.834000 15.9994 - 5801 SYS 1934 WAT H1 B 0.417000 1.0079 - 5802 SYS 1934 WAT H2 B 0.417000 1.0079 - 5803 SYS 1935 WAT O1 D -0.834000 15.9994 - 5804 SYS 1935 WAT H1 B 0.417000 1.0079 - 5805 SYS 1935 WAT H2 B 0.417000 1.0079 - 5806 SYS 1936 WAT O1 D -0.834000 15.9994 - 5807 SYS 1936 WAT H1 B 0.417000 1.0079 - 5808 SYS 1936 WAT H2 B 0.417000 1.0079 - 5809 SYS 1937 WAT O1 D -0.834000 15.9994 - 5810 SYS 1937 WAT H1 B 0.417000 1.0079 - 5811 SYS 1937 WAT H2 B 0.417000 1.0079 - 5812 SYS 1938 WAT O1 D -0.834000 15.9994 - 5813 SYS 1938 WAT H1 B 0.417000 1.0079 - 5814 SYS 1938 WAT H2 B 0.417000 1.0079 - 5815 SYS 1939 WAT O1 D -0.834000 15.9994 - 5816 SYS 1939 WAT H1 B 0.417000 1.0079 - 5817 SYS 1939 WAT H2 B 0.417000 1.0079 - 5818 SYS 1940 WAT O1 D -0.834000 15.9994 - 5819 SYS 1940 WAT H1 B 0.417000 1.0079 - 5820 SYS 1940 WAT H2 B 0.417000 1.0079 - 5821 SYS 1941 WAT O1 D -0.834000 15.9994 - 5822 SYS 1941 WAT H1 B 0.417000 1.0079 - 5823 SYS 1941 WAT H2 B 0.417000 1.0079 - 5824 SYS 1942 WAT O1 D -0.834000 15.9994 - 5825 SYS 1942 WAT H1 B 0.417000 1.0079 - 5826 SYS 1942 WAT H2 B 0.417000 1.0079 - 5827 SYS 1943 WAT O1 D -0.834000 15.9994 - 5828 SYS 1943 WAT H1 B 0.417000 1.0079 - 5829 SYS 1943 WAT H2 B 0.417000 1.0079 - 5830 SYS 1944 WAT O1 D -0.834000 15.9994 - 5831 SYS 1944 WAT H1 B 0.417000 1.0079 - 5832 SYS 1944 WAT H2 B 0.417000 1.0079 - 5833 SYS 1945 WAT O1 D -0.834000 15.9994 - 5834 SYS 1945 WAT H1 B 0.417000 1.0079 - 5835 SYS 1945 WAT H2 B 0.417000 1.0079 - 5836 SYS 1946 WAT O1 D -0.834000 15.9994 - 5837 SYS 1946 WAT H1 B 0.417000 1.0079 - 5838 SYS 1946 WAT H2 B 0.417000 1.0079 - 5839 SYS 1947 WAT O1 D -0.834000 15.9994 - 5840 SYS 1947 WAT H1 B 0.417000 1.0079 - 5841 SYS 1947 WAT H2 B 0.417000 1.0079 - 5842 SYS 1948 WAT O1 D -0.834000 15.9994 - 5843 SYS 1948 WAT H1 B 0.417000 1.0079 - 5844 SYS 1948 WAT H2 B 0.417000 1.0079 - 5845 SYS 1949 WAT O1 D -0.834000 15.9994 - 5846 SYS 1949 WAT H1 B 0.417000 1.0079 - 5847 SYS 1949 WAT H2 B 0.417000 1.0079 - 5848 SYS 1950 WAT O1 D -0.834000 15.9994 - 5849 SYS 1950 WAT H1 B 0.417000 1.0079 - 5850 SYS 1950 WAT H2 B 0.417000 1.0079 - 5851 SYS 1951 WAT O1 D -0.834000 15.9994 - 5852 SYS 1951 WAT H1 B 0.417000 1.0079 - 5853 SYS 1951 WAT H2 B 0.417000 1.0079 - 5854 SYS 1952 WAT O1 D -0.834000 15.9994 - 5855 SYS 1952 WAT H1 B 0.417000 1.0079 - 5856 SYS 1952 WAT H2 B 0.417000 1.0079 - 5857 SYS 1953 WAT O1 D -0.834000 15.9994 - 5858 SYS 1953 WAT H1 B 0.417000 1.0079 - 5859 SYS 1953 WAT H2 B 0.417000 1.0079 - 5860 SYS 1954 WAT O1 D -0.834000 15.9994 - 5861 SYS 1954 WAT H1 B 0.417000 1.0079 - 5862 SYS 1954 WAT H2 B 0.417000 1.0079 - 5863 SYS 1955 WAT O1 D -0.834000 15.9994 - 5864 SYS 1955 WAT H1 B 0.417000 1.0079 - 5865 SYS 1955 WAT H2 B 0.417000 1.0079 - 5866 SYS 1956 WAT O1 D -0.834000 15.9994 - 5867 SYS 1956 WAT H1 B 0.417000 1.0079 - 5868 SYS 1956 WAT H2 B 0.417000 1.0079 - 5869 SYS 1957 WAT O1 D -0.834000 15.9994 - 5870 SYS 1957 WAT H1 B 0.417000 1.0079 - 5871 SYS 1957 WAT H2 B 0.417000 1.0079 - 5872 SYS 1958 WAT O1 D -0.834000 15.9994 - 5873 SYS 1958 WAT H1 B 0.417000 1.0079 - 5874 SYS 1958 WAT H2 B 0.417000 1.0079 - 5875 SYS 1959 WAT O1 D -0.834000 15.9994 - 5876 SYS 1959 WAT H1 B 0.417000 1.0079 - 5877 SYS 1959 WAT H2 B 0.417000 1.0079 - 5878 SYS 1960 WAT O1 D -0.834000 15.9994 - 5879 SYS 1960 WAT H1 B 0.417000 1.0079 - 5880 SYS 1960 WAT H2 B 0.417000 1.0079 - 5881 SYS 1961 WAT O1 D -0.834000 15.9994 - 5882 SYS 1961 WAT H1 B 0.417000 1.0079 - 5883 SYS 1961 WAT H2 B 0.417000 1.0079 - 5884 SYS 1962 WAT O1 D -0.834000 15.9994 - 5885 SYS 1962 WAT H1 B 0.417000 1.0079 - 5886 SYS 1962 WAT H2 B 0.417000 1.0079 - 5887 SYS 1963 WAT O1 D -0.834000 15.9994 - 5888 SYS 1963 WAT H1 B 0.417000 1.0079 - 5889 SYS 1963 WAT H2 B 0.417000 1.0079 - 5890 SYS 1964 WAT O1 D -0.834000 15.9994 - 5891 SYS 1964 WAT H1 B 0.417000 1.0079 - 5892 SYS 1964 WAT H2 B 0.417000 1.0079 - 5893 SYS 1965 WAT O1 D -0.834000 15.9994 - 5894 SYS 1965 WAT H1 B 0.417000 1.0079 - 5895 SYS 1965 WAT H2 B 0.417000 1.0079 - 5896 SYS 1966 WAT O1 D -0.834000 15.9994 - 5897 SYS 1966 WAT H1 B 0.417000 1.0079 - 5898 SYS 1966 WAT H2 B 0.417000 1.0079 - 5899 SYS 1967 WAT O1 D -0.834000 15.9994 - 5900 SYS 1967 WAT H1 B 0.417000 1.0079 - 5901 SYS 1967 WAT H2 B 0.417000 1.0079 - 5902 SYS 1968 WAT O1 D -0.834000 15.9994 - 5903 SYS 1968 WAT H1 B 0.417000 1.0079 - 5904 SYS 1968 WAT H2 B 0.417000 1.0079 - 5905 SYS 1969 WAT O1 D -0.834000 15.9994 - 5906 SYS 1969 WAT H1 B 0.417000 1.0079 - 5907 SYS 1969 WAT H2 B 0.417000 1.0079 - 5908 SYS 1970 WAT O1 D -0.834000 15.9994 - 5909 SYS 1970 WAT H1 B 0.417000 1.0079 - 5910 SYS 1970 WAT H2 B 0.417000 1.0079 - 5911 SYS 1971 WAT O1 D -0.834000 15.9994 - 5912 SYS 1971 WAT H1 B 0.417000 1.0079 - 5913 SYS 1971 WAT H2 B 0.417000 1.0079 - 5914 SYS 1972 WAT O1 D -0.834000 15.9994 - 5915 SYS 1972 WAT H1 B 0.417000 1.0079 - 5916 SYS 1972 WAT H2 B 0.417000 1.0079 - 5917 SYS 1973 WAT O1 D -0.834000 15.9994 - 5918 SYS 1973 WAT H1 B 0.417000 1.0079 - 5919 SYS 1973 WAT H2 B 0.417000 1.0079 - 5920 SYS 1974 WAT O1 D -0.834000 15.9994 - 5921 SYS 1974 WAT H1 B 0.417000 1.0079 - 5922 SYS 1974 WAT H2 B 0.417000 1.0079 - 5923 SYS 1975 WAT O1 D -0.834000 15.9994 - 5924 SYS 1975 WAT H1 B 0.417000 1.0079 - 5925 SYS 1975 WAT H2 B 0.417000 1.0079 - 5926 SYS 1976 WAT O1 D -0.834000 15.9994 - 5927 SYS 1976 WAT H1 B 0.417000 1.0079 - 5928 SYS 1976 WAT H2 B 0.417000 1.0079 - 5929 SYS 1977 WAT O1 D -0.834000 15.9994 - 5930 SYS 1977 WAT H1 B 0.417000 1.0079 - 5931 SYS 1977 WAT H2 B 0.417000 1.0079 - 5932 SYS 1978 WAT O1 D -0.834000 15.9994 - 5933 SYS 1978 WAT H1 B 0.417000 1.0079 - 5934 SYS 1978 WAT H2 B 0.417000 1.0079 - 5935 SYS 1979 WAT O1 D -0.834000 15.9994 - 5936 SYS 1979 WAT H1 B 0.417000 1.0079 - 5937 SYS 1979 WAT H2 B 0.417000 1.0079 - 5938 SYS 1980 WAT O1 D -0.834000 15.9994 - 5939 SYS 1980 WAT H1 B 0.417000 1.0079 - 5940 SYS 1980 WAT H2 B 0.417000 1.0079 - 5941 SYS 1981 WAT O1 D -0.834000 15.9994 - 5942 SYS 1981 WAT H1 B 0.417000 1.0079 - 5943 SYS 1981 WAT H2 B 0.417000 1.0079 - 5944 SYS 1982 WAT O1 D -0.834000 15.9994 - 5945 SYS 1982 WAT H1 B 0.417000 1.0079 - 5946 SYS 1982 WAT H2 B 0.417000 1.0079 - 5947 SYS 1983 WAT O1 D -0.834000 15.9994 - 5948 SYS 1983 WAT H1 B 0.417000 1.0079 - 5949 SYS 1983 WAT H2 B 0.417000 1.0079 - 5950 SYS 1984 WAT O1 D -0.834000 15.9994 - 5951 SYS 1984 WAT H1 B 0.417000 1.0079 - 5952 SYS 1984 WAT H2 B 0.417000 1.0079 - 5953 SYS 1985 WAT O1 D -0.834000 15.9994 - 5954 SYS 1985 WAT H1 B 0.417000 1.0079 - 5955 SYS 1985 WAT H2 B 0.417000 1.0079 - 5956 SYS 1986 WAT O1 D -0.834000 15.9994 - 5957 SYS 1986 WAT H1 B 0.417000 1.0079 - 5958 SYS 1986 WAT H2 B 0.417000 1.0079 - 5959 SYS 1987 WAT O1 D -0.834000 15.9994 - 5960 SYS 1987 WAT H1 B 0.417000 1.0079 - 5961 SYS 1987 WAT H2 B 0.417000 1.0079 - 5962 SYS 1988 WAT O1 D -0.834000 15.9994 - 5963 SYS 1988 WAT H1 B 0.417000 1.0079 - 5964 SYS 1988 WAT H2 B 0.417000 1.0079 - 5965 SYS 1989 WAT O1 D -0.834000 15.9994 - 5966 SYS 1989 WAT H1 B 0.417000 1.0079 - 5967 SYS 1989 WAT H2 B 0.417000 1.0079 - 5968 SYS 1990 WAT O1 D -0.834000 15.9994 - 5969 SYS 1990 WAT H1 B 0.417000 1.0079 - 5970 SYS 1990 WAT H2 B 0.417000 1.0079 - 5971 SYS 1991 WAT O1 D -0.834000 15.9994 - 5972 SYS 1991 WAT H1 B 0.417000 1.0079 - 5973 SYS 1991 WAT H2 B 0.417000 1.0079 - 5974 SYS 1992 WAT O1 D -0.834000 15.9994 - 5975 SYS 1992 WAT H1 B 0.417000 1.0079 - 5976 SYS 1992 WAT H2 B 0.417000 1.0079 - 5977 SYS 1993 WAT O1 D -0.834000 15.9994 - 5978 SYS 1993 WAT H1 B 0.417000 1.0079 - 5979 SYS 1993 WAT H2 B 0.417000 1.0079 - 5980 SYS 1994 WAT O1 D -0.834000 15.9994 - 5981 SYS 1994 WAT H1 B 0.417000 1.0079 - 5982 SYS 1994 WAT H2 B 0.417000 1.0079 - 5983 SYS 1995 WAT O1 D -0.834000 15.9994 - 5984 SYS 1995 WAT H1 B 0.417000 1.0079 - 5985 SYS 1995 WAT H2 B 0.417000 1.0079 - 5986 SYS 1996 WAT O1 D -0.834000 15.9994 - 5987 SYS 1996 WAT H1 B 0.417000 1.0079 - 5988 SYS 1996 WAT H2 B 0.417000 1.0079 - 5989 SYS 1997 WAT O1 D -0.834000 15.9994 - 5990 SYS 1997 WAT H1 B 0.417000 1.0079 - 5991 SYS 1997 WAT H2 B 0.417000 1.0079 - 5992 SYS 1998 WAT O1 D -0.834000 15.9994 - 5993 SYS 1998 WAT H1 B 0.417000 1.0079 - 5994 SYS 1998 WAT H2 B 0.417000 1.0079 - 5995 SYS 1999 WAT O1 D -0.834000 15.9994 - 5996 SYS 1999 WAT H1 B 0.417000 1.0079 - 5997 SYS 1999 WAT H2 B 0.417000 1.0079 - 5998 SYS 2000 WAT O1 D -0.834000 15.9994 - 5999 SYS 2000 WAT H1 B 0.417000 1.0079 - 6000 SYS 2000 WAT H2 B 0.417000 1.0079 - 6001 SYS 2001 WAT O1 D -0.834000 15.9994 - 6002 SYS 2001 WAT H1 B 0.417000 1.0079 - 6003 SYS 2001 WAT H2 B 0.417000 1.0079 - 6004 SYS 2002 WAT O1 D -0.834000 15.9994 - 6005 SYS 2002 WAT H1 B 0.417000 1.0079 - 6006 SYS 2002 WAT H2 B 0.417000 1.0079 - 6007 SYS 2003 WAT O1 D -0.834000 15.9994 - 6008 SYS 2003 WAT H1 B 0.417000 1.0079 - 6009 SYS 2003 WAT H2 B 0.417000 1.0079 - 6010 SYS 2004 WAT O1 D -0.834000 15.9994 - 6011 SYS 2004 WAT H1 B 0.417000 1.0079 - 6012 SYS 2004 WAT H2 B 0.417000 1.0079 - 6013 SYS 2005 WAT O1 D -0.834000 15.9994 - 6014 SYS 2005 WAT H1 B 0.417000 1.0079 - 6015 SYS 2005 WAT H2 B 0.417000 1.0079 - 6016 SYS 2006 WAT O1 D -0.834000 15.9994 - 6017 SYS 2006 WAT H1 B 0.417000 1.0079 - 6018 SYS 2006 WAT H2 B 0.417000 1.0079 - 6019 SYS 2007 WAT O1 D -0.834000 15.9994 - 6020 SYS 2007 WAT H1 B 0.417000 1.0079 - 6021 SYS 2007 WAT H2 B 0.417000 1.0079 - 6022 SYS 2008 WAT O1 D -0.834000 15.9994 - 6023 SYS 2008 WAT H1 B 0.417000 1.0079 - 6024 SYS 2008 WAT H2 B 0.417000 1.0079 - 6025 SYS 2009 WAT O1 D -0.834000 15.9994 - 6026 SYS 2009 WAT H1 B 0.417000 1.0079 - 6027 SYS 2009 WAT H2 B 0.417000 1.0079 - 6028 SYS 2010 WAT O1 D -0.834000 15.9994 - 6029 SYS 2010 WAT H1 B 0.417000 1.0079 - 6030 SYS 2010 WAT H2 B 0.417000 1.0079 - 6031 SYS 2011 WAT O1 D -0.834000 15.9994 - 6032 SYS 2011 WAT H1 B 0.417000 1.0079 - 6033 SYS 2011 WAT H2 B 0.417000 1.0079 - 6034 SYS 2012 WAT O1 D -0.834000 15.9994 - 6035 SYS 2012 WAT H1 B 0.417000 1.0079 - 6036 SYS 2012 WAT H2 B 0.417000 1.0079 - 6037 SYS 2013 WAT O1 D -0.834000 15.9994 - 6038 SYS 2013 WAT H1 B 0.417000 1.0079 - 6039 SYS 2013 WAT H2 B 0.417000 1.0079 - 6040 SYS 2014 WAT O1 D -0.834000 15.9994 - 6041 SYS 2014 WAT H1 B 0.417000 1.0079 - 6042 SYS 2014 WAT H2 B 0.417000 1.0079 - 6043 SYS 2015 WAT O1 D -0.834000 15.9994 - 6044 SYS 2015 WAT H1 B 0.417000 1.0079 - 6045 SYS 2015 WAT H2 B 0.417000 1.0079 - 6046 SYS 2016 WAT O1 D -0.834000 15.9994 - 6047 SYS 2016 WAT H1 B 0.417000 1.0079 - 6048 SYS 2016 WAT H2 B 0.417000 1.0079 - 6049 SYS 2017 WAT O1 D -0.834000 15.9994 - 6050 SYS 2017 WAT H1 B 0.417000 1.0079 - 6051 SYS 2017 WAT H2 B 0.417000 1.0079 - 6052 SYS 2018 WAT O1 D -0.834000 15.9994 - 6053 SYS 2018 WAT H1 B 0.417000 1.0079 - 6054 SYS 2018 WAT H2 B 0.417000 1.0079 - 6055 SYS 2019 WAT O1 D -0.834000 15.9994 - 6056 SYS 2019 WAT H1 B 0.417000 1.0079 - 6057 SYS 2019 WAT H2 B 0.417000 1.0079 - 6058 SYS 2020 WAT O1 D -0.834000 15.9994 - 6059 SYS 2020 WAT H1 B 0.417000 1.0079 - 6060 SYS 2020 WAT H2 B 0.417000 1.0079 - 6061 SYS 2021 WAT O1 D -0.834000 15.9994 - 6062 SYS 2021 WAT H1 B 0.417000 1.0079 - 6063 SYS 2021 WAT H2 B 0.417000 1.0079 - 6064 SYS 2022 WAT O1 D -0.834000 15.9994 - 6065 SYS 2022 WAT H1 B 0.417000 1.0079 - 6066 SYS 2022 WAT H2 B 0.417000 1.0079 - 6067 SYS 2023 WAT O1 D -0.834000 15.9994 - 6068 SYS 2023 WAT H1 B 0.417000 1.0079 - 6069 SYS 2023 WAT H2 B 0.417000 1.0079 - 6070 SYS 2024 WAT O1 D -0.834000 15.9994 - 6071 SYS 2024 WAT H1 B 0.417000 1.0079 - 6072 SYS 2024 WAT H2 B 0.417000 1.0079 - 6073 SYS 2025 WAT O1 D -0.834000 15.9994 - 6074 SYS 2025 WAT H1 B 0.417000 1.0079 - 6075 SYS 2025 WAT H2 B 0.417000 1.0079 - 6076 SYS 2026 WAT O1 D -0.834000 15.9994 - 6077 SYS 2026 WAT H1 B 0.417000 1.0079 - 6078 SYS 2026 WAT H2 B 0.417000 1.0079 - 6079 SYS 2027 WAT O1 D -0.834000 15.9994 - 6080 SYS 2027 WAT H1 B 0.417000 1.0079 - 6081 SYS 2027 WAT H2 B 0.417000 1.0079 - 6082 SYS 2028 WAT O1 D -0.834000 15.9994 - 6083 SYS 2028 WAT H1 B 0.417000 1.0079 - 6084 SYS 2028 WAT H2 B 0.417000 1.0079 - 6085 SYS 2029 WAT O1 D -0.834000 15.9994 - 6086 SYS 2029 WAT H1 B 0.417000 1.0079 - 6087 SYS 2029 WAT H2 B 0.417000 1.0079 - 6088 SYS 2030 WAT O1 D -0.834000 15.9994 - 6089 SYS 2030 WAT H1 B 0.417000 1.0079 - 6090 SYS 2030 WAT H2 B 0.417000 1.0079 - 6091 SYS 2031 WAT O1 D -0.834000 15.9994 - 6092 SYS 2031 WAT H1 B 0.417000 1.0079 - 6093 SYS 2031 WAT H2 B 0.417000 1.0079 - 6094 SYS 2032 WAT O1 D -0.834000 15.9994 - 6095 SYS 2032 WAT H1 B 0.417000 1.0079 - 6096 SYS 2032 WAT H2 B 0.417000 1.0079 - 6097 SYS 2033 WAT O1 D -0.834000 15.9994 - 6098 SYS 2033 WAT H1 B 0.417000 1.0079 - 6099 SYS 2033 WAT H2 B 0.417000 1.0079 - 6100 SYS 2034 WAT O1 D -0.834000 15.9994 - 6101 SYS 2034 WAT H1 B 0.417000 1.0079 - 6102 SYS 2034 WAT H2 B 0.417000 1.0079 - 6103 SYS 2035 WAT O1 D -0.834000 15.9994 - 6104 SYS 2035 WAT H1 B 0.417000 1.0079 - 6105 SYS 2035 WAT H2 B 0.417000 1.0079 - 6106 SYS 2036 WAT O1 D -0.834000 15.9994 - 6107 SYS 2036 WAT H1 B 0.417000 1.0079 - 6108 SYS 2036 WAT H2 B 0.417000 1.0079 - 6109 SYS 2037 WAT O1 D -0.834000 15.9994 - 6110 SYS 2037 WAT H1 B 0.417000 1.0079 - 6111 SYS 2037 WAT H2 B 0.417000 1.0079 - 6112 SYS 2038 WAT O1 D -0.834000 15.9994 - 6113 SYS 2038 WAT H1 B 0.417000 1.0079 - 6114 SYS 2038 WAT H2 B 0.417000 1.0079 - 6115 SYS 2039 WAT O1 D -0.834000 15.9994 - 6116 SYS 2039 WAT H1 B 0.417000 1.0079 - 6117 SYS 2039 WAT H2 B 0.417000 1.0079 - 6118 SYS 2040 WAT O1 D -0.834000 15.9994 - 6119 SYS 2040 WAT H1 B 0.417000 1.0079 - 6120 SYS 2040 WAT H2 B 0.417000 1.0079 - 6121 SYS 2041 WAT O1 D -0.834000 15.9994 - 6122 SYS 2041 WAT H1 B 0.417000 1.0079 - 6123 SYS 2041 WAT H2 B 0.417000 1.0079 - 6124 SYS 2042 WAT O1 D -0.834000 15.9994 - 6125 SYS 2042 WAT H1 B 0.417000 1.0079 - 6126 SYS 2042 WAT H2 B 0.417000 1.0079 - 6127 SYS 2043 WAT O1 D -0.834000 15.9994 - 6128 SYS 2043 WAT H1 B 0.417000 1.0079 - 6129 SYS 2043 WAT H2 B 0.417000 1.0079 - 6130 SYS 2044 WAT O1 D -0.834000 15.9994 - 6131 SYS 2044 WAT H1 B 0.417000 1.0079 - 6132 SYS 2044 WAT H2 B 0.417000 1.0079 - 6133 SYS 2045 WAT O1 D -0.834000 15.9994 - 6134 SYS 2045 WAT H1 B 0.417000 1.0079 - 6135 SYS 2045 WAT H2 B 0.417000 1.0079 - 6136 SYS 2046 WAT O1 D -0.834000 15.9994 - 6137 SYS 2046 WAT H1 B 0.417000 1.0079 - 6138 SYS 2046 WAT H2 B 0.417000 1.0079 - 6139 SYS 2047 WAT O1 D -0.834000 15.9994 - 6140 SYS 2047 WAT H1 B 0.417000 1.0079 - 6141 SYS 2047 WAT H2 B 0.417000 1.0079 - 6142 SYS 2048 WAT O1 D -0.834000 15.9994 - 6143 SYS 2048 WAT H1 B 0.417000 1.0079 - 6144 SYS 2048 WAT H2 B 0.417000 1.0079 - 6145 SYS 2049 WAT O1 D -0.834000 15.9994 - 6146 SYS 2049 WAT H1 B 0.417000 1.0079 - 6147 SYS 2049 WAT H2 B 0.417000 1.0079 - 6148 SYS 2050 WAT O1 D -0.834000 15.9994 - 6149 SYS 2050 WAT H1 B 0.417000 1.0079 - 6150 SYS 2050 WAT H2 B 0.417000 1.0079 - 6151 SYS 2051 WAT O1 D -0.834000 15.9994 - 6152 SYS 2051 WAT H1 B 0.417000 1.0079 - 6153 SYS 2051 WAT H2 B 0.417000 1.0079 - 6154 SYS 2052 WAT O1 D -0.834000 15.9994 - 6155 SYS 2052 WAT H1 B 0.417000 1.0079 - 6156 SYS 2052 WAT H2 B 0.417000 1.0079 - 6157 SYS 2053 WAT O1 D -0.834000 15.9994 - 6158 SYS 2053 WAT H1 B 0.417000 1.0079 - 6159 SYS 2053 WAT H2 B 0.417000 1.0079 - 6160 SYS 2054 WAT O1 D -0.834000 15.9994 - 6161 SYS 2054 WAT H1 B 0.417000 1.0079 - 6162 SYS 2054 WAT H2 B 0.417000 1.0079 - 6163 SYS 2055 WAT O1 D -0.834000 15.9994 - 6164 SYS 2055 WAT H1 B 0.417000 1.0079 - 6165 SYS 2055 WAT H2 B 0.417000 1.0079 - 6166 SYS 2056 WAT O1 D -0.834000 15.9994 - 6167 SYS 2056 WAT H1 B 0.417000 1.0079 - 6168 SYS 2056 WAT H2 B 0.417000 1.0079 - 6169 SYS 2057 WAT O1 D -0.834000 15.9994 - 6170 SYS 2057 WAT H1 B 0.417000 1.0079 - 6171 SYS 2057 WAT H2 B 0.417000 1.0079 - 6172 SYS 2058 WAT O1 D -0.834000 15.9994 - 6173 SYS 2058 WAT H1 B 0.417000 1.0079 - 6174 SYS 2058 WAT H2 B 0.417000 1.0079 - 6175 SYS 2059 WAT O1 D -0.834000 15.9994 - 6176 SYS 2059 WAT H1 B 0.417000 1.0079 - 6177 SYS 2059 WAT H2 B 0.417000 1.0079 - 6178 SYS 2060 WAT O1 D -0.834000 15.9994 - 6179 SYS 2060 WAT H1 B 0.417000 1.0079 - 6180 SYS 2060 WAT H2 B 0.417000 1.0079 - 6181 SYS 2061 WAT O1 D -0.834000 15.9994 - 6182 SYS 2061 WAT H1 B 0.417000 1.0079 - 6183 SYS 2061 WAT H2 B 0.417000 1.0079 - 6184 SYS 2062 WAT O1 D -0.834000 15.9994 - 6185 SYS 2062 WAT H1 B 0.417000 1.0079 - 6186 SYS 2062 WAT H2 B 0.417000 1.0079 - 6187 SYS 2063 WAT O1 D -0.834000 15.9994 - 6188 SYS 2063 WAT H1 B 0.417000 1.0079 - 6189 SYS 2063 WAT H2 B 0.417000 1.0079 - 6190 SYS 2064 WAT O1 D -0.834000 15.9994 - 6191 SYS 2064 WAT H1 B 0.417000 1.0079 - 6192 SYS 2064 WAT H2 B 0.417000 1.0079 - 6193 SYS 2065 WAT O1 D -0.834000 15.9994 - 6194 SYS 2065 WAT H1 B 0.417000 1.0079 - 6195 SYS 2065 WAT H2 B 0.417000 1.0079 - 6196 SYS 2066 WAT O1 D -0.834000 15.9994 - 6197 SYS 2066 WAT H1 B 0.417000 1.0079 - 6198 SYS 2066 WAT H2 B 0.417000 1.0079 - 6199 SYS 2067 WAT O1 D -0.834000 15.9994 - 6200 SYS 2067 WAT H1 B 0.417000 1.0079 - 6201 SYS 2067 WAT H2 B 0.417000 1.0079 - 6202 SYS 2068 WAT O1 D -0.834000 15.9994 - 6203 SYS 2068 WAT H1 B 0.417000 1.0079 - 6204 SYS 2068 WAT H2 B 0.417000 1.0079 - 6205 SYS 2069 WAT O1 D -0.834000 15.9994 - 6206 SYS 2069 WAT H1 B 0.417000 1.0079 - 6207 SYS 2069 WAT H2 B 0.417000 1.0079 - 6208 SYS 2070 WAT O1 D -0.834000 15.9994 - 6209 SYS 2070 WAT H1 B 0.417000 1.0079 - 6210 SYS 2070 WAT H2 B 0.417000 1.0079 - 6211 SYS 2071 WAT O1 D -0.834000 15.9994 - 6212 SYS 2071 WAT H1 B 0.417000 1.0079 - 6213 SYS 2071 WAT H2 B 0.417000 1.0079 - 6214 SYS 2072 WAT O1 D -0.834000 15.9994 - 6215 SYS 2072 WAT H1 B 0.417000 1.0079 - 6216 SYS 2072 WAT H2 B 0.417000 1.0079 - 6217 SYS 2073 WAT O1 D -0.834000 15.9994 - 6218 SYS 2073 WAT H1 B 0.417000 1.0079 - 6219 SYS 2073 WAT H2 B 0.417000 1.0079 - 6220 SYS 2074 WAT O1 D -0.834000 15.9994 - 6221 SYS 2074 WAT H1 B 0.417000 1.0079 - 6222 SYS 2074 WAT H2 B 0.417000 1.0079 - 6223 SYS 2075 WAT O1 D -0.834000 15.9994 - 6224 SYS 2075 WAT H1 B 0.417000 1.0079 - 6225 SYS 2075 WAT H2 B 0.417000 1.0079 - 6226 SYS 2076 WAT O1 D -0.834000 15.9994 - 6227 SYS 2076 WAT H1 B 0.417000 1.0079 - 6228 SYS 2076 WAT H2 B 0.417000 1.0079 - 6229 SYS 2077 WAT O1 D -0.834000 15.9994 - 6230 SYS 2077 WAT H1 B 0.417000 1.0079 - 6231 SYS 2077 WAT H2 B 0.417000 1.0079 - 6232 SYS 2078 WAT O1 D -0.834000 15.9994 - 6233 SYS 2078 WAT H1 B 0.417000 1.0079 - 6234 SYS 2078 WAT H2 B 0.417000 1.0079 - 6235 SYS 2079 WAT O1 D -0.834000 15.9994 - 6236 SYS 2079 WAT H1 B 0.417000 1.0079 - 6237 SYS 2079 WAT H2 B 0.417000 1.0079 - 6238 SYS 2080 WAT O1 D -0.834000 15.9994 - 6239 SYS 2080 WAT H1 B 0.417000 1.0079 - 6240 SYS 2080 WAT H2 B 0.417000 1.0079 - 6241 SYS 2081 WAT O1 D -0.834000 15.9994 - 6242 SYS 2081 WAT H1 B 0.417000 1.0079 - 6243 SYS 2081 WAT H2 B 0.417000 1.0079 - 6244 SYS 2082 WAT O1 D -0.834000 15.9994 - 6245 SYS 2082 WAT H1 B 0.417000 1.0079 - 6246 SYS 2082 WAT H2 B 0.417000 1.0079 - 6247 SYS 2083 WAT O1 D -0.834000 15.9994 - 6248 SYS 2083 WAT H1 B 0.417000 1.0079 - 6249 SYS 2083 WAT H2 B 0.417000 1.0079 - 6250 SYS 2084 WAT O1 D -0.834000 15.9994 - 6251 SYS 2084 WAT H1 B 0.417000 1.0079 - 6252 SYS 2084 WAT H2 B 0.417000 1.0079 - 6253 SYS 2085 WAT O1 D -0.834000 15.9994 - 6254 SYS 2085 WAT H1 B 0.417000 1.0079 - 6255 SYS 2085 WAT H2 B 0.417000 1.0079 - 6256 SYS 2086 WAT O1 D -0.834000 15.9994 - 6257 SYS 2086 WAT H1 B 0.417000 1.0079 - 6258 SYS 2086 WAT H2 B 0.417000 1.0079 - 6259 SYS 2087 WAT O1 D -0.834000 15.9994 - 6260 SYS 2087 WAT H1 B 0.417000 1.0079 - 6261 SYS 2087 WAT H2 B 0.417000 1.0079 - 6262 SYS 2088 WAT O1 D -0.834000 15.9994 - 6263 SYS 2088 WAT H1 B 0.417000 1.0079 - 6264 SYS 2088 WAT H2 B 0.417000 1.0079 - 6265 SYS 2089 WAT O1 D -0.834000 15.9994 - 6266 SYS 2089 WAT H1 B 0.417000 1.0079 - 6267 SYS 2089 WAT H2 B 0.417000 1.0079 - 6268 SYS 2090 WAT O1 D -0.834000 15.9994 - 6269 SYS 2090 WAT H1 B 0.417000 1.0079 - 6270 SYS 2090 WAT H2 B 0.417000 1.0079 - 6271 SYS 2091 WAT O1 D -0.834000 15.9994 - 6272 SYS 2091 WAT H1 B 0.417000 1.0079 - 6273 SYS 2091 WAT H2 B 0.417000 1.0079 - 6274 SYS 2092 WAT O1 D -0.834000 15.9994 - 6275 SYS 2092 WAT H1 B 0.417000 1.0079 - 6276 SYS 2092 WAT H2 B 0.417000 1.0079 - 6277 SYS 2093 WAT O1 D -0.834000 15.9994 - 6278 SYS 2093 WAT H1 B 0.417000 1.0079 - 6279 SYS 2093 WAT H2 B 0.417000 1.0079 - 6280 SYS 2094 WAT O1 D -0.834000 15.9994 - 6281 SYS 2094 WAT H1 B 0.417000 1.0079 - 6282 SYS 2094 WAT H2 B 0.417000 1.0079 + 1 SYS 1 TIP3 O1 C -0.834000 15.9994 + 2 SYS 1 TIP3 H1 A 0.417000 1.0079 + 3 SYS 1 TIP3 H2 A 0.417000 1.0079 + 4 SYS 2 TIP3 O1 C -0.834000 15.9994 + 5 SYS 2 TIP3 H1 A 0.417000 1.0079 + 6 SYS 2 TIP3 H2 A 0.417000 1.0079 + 7 SYS 3 TIP3 O1 C -0.834000 15.9994 + 8 SYS 3 TIP3 H1 A 0.417000 1.0079 + 9 SYS 3 TIP3 H2 A 0.417000 1.0079 + 10 SYS 4 TIP3 O1 C -0.834000 15.9994 + 11 SYS 4 TIP3 H1 A 0.417000 1.0079 + 12 SYS 4 TIP3 H2 A 0.417000 1.0079 + 13 SYS 5 TIP3 O1 C -0.834000 15.9994 + 14 SYS 5 TIP3 H1 A 0.417000 1.0079 + 15 SYS 5 TIP3 H2 A 0.417000 1.0079 + 16 SYS 6 TIP3 O1 C -0.834000 15.9994 + 17 SYS 6 TIP3 H1 A 0.417000 1.0079 + 18 SYS 6 TIP3 H2 A 0.417000 1.0079 + 19 SYS 7 TIP3 O1 C -0.834000 15.9994 + 20 SYS 7 TIP3 H1 A 0.417000 1.0079 + 21 SYS 7 TIP3 H2 A 0.417000 1.0079 + 22 SYS 8 TIP3 O1 C -0.834000 15.9994 + 23 SYS 8 TIP3 H1 A 0.417000 1.0079 + 24 SYS 8 TIP3 H2 A 0.417000 1.0079 + 25 SYS 9 TIP3 O1 C -0.834000 15.9994 + 26 SYS 9 TIP3 H1 A 0.417000 1.0079 + 27 SYS 9 TIP3 H2 A 0.417000 1.0079 + 28 SYS 10 TIP3 O1 C -0.834000 15.9994 + 29 SYS 10 TIP3 H1 A 0.417000 1.0079 + 30 SYS 10 TIP3 H2 A 0.417000 1.0079 + 31 SYS 11 TIP3 O1 C -0.834000 15.9994 + 32 SYS 11 TIP3 H1 A 0.417000 1.0079 + 33 SYS 11 TIP3 H2 A 0.417000 1.0079 + 34 SYS 12 TIP3 O1 C -0.834000 15.9994 + 35 SYS 12 TIP3 H1 A 0.417000 1.0079 + 36 SYS 12 TIP3 H2 A 0.417000 1.0079 + 37 SYS 13 TIP3 O1 C -0.834000 15.9994 + 38 SYS 13 TIP3 H1 A 0.417000 1.0079 + 39 SYS 13 TIP3 H2 A 0.417000 1.0079 + 40 SYS 14 TIP3 O1 C -0.834000 15.9994 + 41 SYS 14 TIP3 H1 A 0.417000 1.0079 + 42 SYS 14 TIP3 H2 A 0.417000 1.0079 + 43 SYS 15 TIP3 O1 C -0.834000 15.9994 + 44 SYS 15 TIP3 H1 A 0.417000 1.0079 + 45 SYS 15 TIP3 H2 A 0.417000 1.0079 + 46 SYS 16 TIP3 O1 C -0.834000 15.9994 + 47 SYS 16 TIP3 H1 A 0.417000 1.0079 + 48 SYS 16 TIP3 H2 A 0.417000 1.0079 + 49 SYS 17 TIP3 O1 C -0.834000 15.9994 + 50 SYS 17 TIP3 H1 A 0.417000 1.0079 + 51 SYS 17 TIP3 H2 A 0.417000 1.0079 + 52 SYS 18 TIP3 O1 C -0.834000 15.9994 + 53 SYS 18 TIP3 H1 A 0.417000 1.0079 + 54 SYS 18 TIP3 H2 A 0.417000 1.0079 + 55 SYS 19 TIP3 O1 C -0.834000 15.9994 + 56 SYS 19 TIP3 H1 A 0.417000 1.0079 + 57 SYS 19 TIP3 H2 A 0.417000 1.0079 + 58 SYS 20 TIP3 O1 C -0.834000 15.9994 + 59 SYS 20 TIP3 H1 A 0.417000 1.0079 + 60 SYS 20 TIP3 H2 A 0.417000 1.0079 + 61 SYS 21 TIP3 O1 C -0.834000 15.9994 + 62 SYS 21 TIP3 H1 A 0.417000 1.0079 + 63 SYS 21 TIP3 H2 A 0.417000 1.0079 + 64 SYS 22 TIP3 O1 C -0.834000 15.9994 + 65 SYS 22 TIP3 H1 A 0.417000 1.0079 + 66 SYS 22 TIP3 H2 A 0.417000 1.0079 + 67 SYS 23 TIP3 O1 C -0.834000 15.9994 + 68 SYS 23 TIP3 H1 A 0.417000 1.0079 + 69 SYS 23 TIP3 H2 A 0.417000 1.0079 + 70 SYS 24 TIP3 O1 C -0.834000 15.9994 + 71 SYS 24 TIP3 H1 A 0.417000 1.0079 + 72 SYS 24 TIP3 H2 A 0.417000 1.0079 + 73 SYS 25 TIP3 O1 C -0.834000 15.9994 + 74 SYS 25 TIP3 H1 A 0.417000 1.0079 + 75 SYS 25 TIP3 H2 A 0.417000 1.0079 + 76 SYS 26 TIP3 O1 C -0.834000 15.9994 + 77 SYS 26 TIP3 H1 A 0.417000 1.0079 + 78 SYS 26 TIP3 H2 A 0.417000 1.0079 + 79 SYS 27 TIP3 O1 C -0.834000 15.9994 + 80 SYS 27 TIP3 H1 A 0.417000 1.0079 + 81 SYS 27 TIP3 H2 A 0.417000 1.0079 + 82 SYS 28 TIP3 O1 C -0.834000 15.9994 + 83 SYS 28 TIP3 H1 A 0.417000 1.0079 + 84 SYS 28 TIP3 H2 A 0.417000 1.0079 + 85 SYS 29 TIP3 O1 C -0.834000 15.9994 + 86 SYS 29 TIP3 H1 A 0.417000 1.0079 + 87 SYS 29 TIP3 H2 A 0.417000 1.0079 + 88 SYS 30 TIP3 O1 C -0.834000 15.9994 + 89 SYS 30 TIP3 H1 A 0.417000 1.0079 + 90 SYS 30 TIP3 H2 A 0.417000 1.0079 + 91 SYS 31 TIP3 O1 C -0.834000 15.9994 + 92 SYS 31 TIP3 H1 A 0.417000 1.0079 + 93 SYS 31 TIP3 H2 A 0.417000 1.0079 + 94 SYS 32 TIP3 O1 C -0.834000 15.9994 + 95 SYS 32 TIP3 H1 A 0.417000 1.0079 + 96 SYS 32 TIP3 H2 A 0.417000 1.0079 + 97 SYS 33 TIP3 O1 C -0.834000 15.9994 + 98 SYS 33 TIP3 H1 A 0.417000 1.0079 + 99 SYS 33 TIP3 H2 A 0.417000 1.0079 + 100 SYS 34 TIP3 O1 C -0.834000 15.9994 + 101 SYS 34 TIP3 H1 A 0.417000 1.0079 + 102 SYS 34 TIP3 H2 A 0.417000 1.0079 + 103 SYS 35 TIP3 O1 C -0.834000 15.9994 + 104 SYS 35 TIP3 H1 A 0.417000 1.0079 + 105 SYS 35 TIP3 H2 A 0.417000 1.0079 + 106 SYS 36 TIP3 O1 C -0.834000 15.9994 + 107 SYS 36 TIP3 H1 A 0.417000 1.0079 + 108 SYS 36 TIP3 H2 A 0.417000 1.0079 + 109 SYS 37 TIP3 O1 C -0.834000 15.9994 + 110 SYS 37 TIP3 H1 A 0.417000 1.0079 + 111 SYS 37 TIP3 H2 A 0.417000 1.0079 + 112 SYS 38 TIP3 O1 C -0.834000 15.9994 + 113 SYS 38 TIP3 H1 A 0.417000 1.0079 + 114 SYS 38 TIP3 H2 A 0.417000 1.0079 + 115 SYS 39 TIP3 O1 C -0.834000 15.9994 + 116 SYS 39 TIP3 H1 A 0.417000 1.0079 + 117 SYS 39 TIP3 H2 A 0.417000 1.0079 + 118 SYS 40 TIP3 O1 C -0.834000 15.9994 + 119 SYS 40 TIP3 H1 A 0.417000 1.0079 + 120 SYS 40 TIP3 H2 A 0.417000 1.0079 + 121 SYS 41 TIP3 O1 C -0.834000 15.9994 + 122 SYS 41 TIP3 H1 A 0.417000 1.0079 + 123 SYS 41 TIP3 H2 A 0.417000 1.0079 + 124 SYS 42 TIP3 O1 C -0.834000 15.9994 + 125 SYS 42 TIP3 H1 A 0.417000 1.0079 + 126 SYS 42 TIP3 H2 A 0.417000 1.0079 + 127 SYS 43 TIP3 O1 C -0.834000 15.9994 + 128 SYS 43 TIP3 H1 A 0.417000 1.0079 + 129 SYS 43 TIP3 H2 A 0.417000 1.0079 + 130 SYS 44 TIP3 O1 C -0.834000 15.9994 + 131 SYS 44 TIP3 H1 A 0.417000 1.0079 + 132 SYS 44 TIP3 H2 A 0.417000 1.0079 + 133 SYS 45 TIP3 O1 C -0.834000 15.9994 + 134 SYS 45 TIP3 H1 A 0.417000 1.0079 + 135 SYS 45 TIP3 H2 A 0.417000 1.0079 + 136 SYS 46 TIP3 O1 C -0.834000 15.9994 + 137 SYS 46 TIP3 H1 A 0.417000 1.0079 + 138 SYS 46 TIP3 H2 A 0.417000 1.0079 + 139 SYS 47 TIP3 O1 C -0.834000 15.9994 + 140 SYS 47 TIP3 H1 A 0.417000 1.0079 + 141 SYS 47 TIP3 H2 A 0.417000 1.0079 + 142 SYS 48 TIP3 O1 C -0.834000 15.9994 + 143 SYS 48 TIP3 H1 A 0.417000 1.0079 + 144 SYS 48 TIP3 H2 A 0.417000 1.0079 + 145 SYS 49 TIP3 O1 C -0.834000 15.9994 + 146 SYS 49 TIP3 H1 A 0.417000 1.0079 + 147 SYS 49 TIP3 H2 A 0.417000 1.0079 + 148 SYS 50 TIP3 O1 C -0.834000 15.9994 + 149 SYS 50 TIP3 H1 A 0.417000 1.0079 + 150 SYS 50 TIP3 H2 A 0.417000 1.0079 + 151 SYS 51 TIP3 O1 C -0.834000 15.9994 + 152 SYS 51 TIP3 H1 A 0.417000 1.0079 + 153 SYS 51 TIP3 H2 A 0.417000 1.0079 + 154 SYS 52 TIP3 O1 C -0.834000 15.9994 + 155 SYS 52 TIP3 H1 A 0.417000 1.0079 + 156 SYS 52 TIP3 H2 A 0.417000 1.0079 + 157 SYS 53 TIP3 O1 C -0.834000 15.9994 + 158 SYS 53 TIP3 H1 A 0.417000 1.0079 + 159 SYS 53 TIP3 H2 A 0.417000 1.0079 + 160 SYS 54 TIP3 O1 C -0.834000 15.9994 + 161 SYS 54 TIP3 H1 A 0.417000 1.0079 + 162 SYS 54 TIP3 H2 A 0.417000 1.0079 + 163 SYS 55 TIP3 O1 C -0.834000 15.9994 + 164 SYS 55 TIP3 H1 A 0.417000 1.0079 + 165 SYS 55 TIP3 H2 A 0.417000 1.0079 + 166 SYS 56 TIP3 O1 C -0.834000 15.9994 + 167 SYS 56 TIP3 H1 A 0.417000 1.0079 + 168 SYS 56 TIP3 H2 A 0.417000 1.0079 + 169 SYS 57 TIP3 O1 C -0.834000 15.9994 + 170 SYS 57 TIP3 H1 A 0.417000 1.0079 + 171 SYS 57 TIP3 H2 A 0.417000 1.0079 + 172 SYS 58 TIP3 O1 C -0.834000 15.9994 + 173 SYS 58 TIP3 H1 A 0.417000 1.0079 + 174 SYS 58 TIP3 H2 A 0.417000 1.0079 + 175 SYS 59 TIP3 O1 C -0.834000 15.9994 + 176 SYS 59 TIP3 H1 A 0.417000 1.0079 + 177 SYS 59 TIP3 H2 A 0.417000 1.0079 + 178 SYS 60 TIP3 O1 C -0.834000 15.9994 + 179 SYS 60 TIP3 H1 A 0.417000 1.0079 + 180 SYS 60 TIP3 H2 A 0.417000 1.0079 + 181 SYS 61 TIP3 O1 C -0.834000 15.9994 + 182 SYS 61 TIP3 H1 A 0.417000 1.0079 + 183 SYS 61 TIP3 H2 A 0.417000 1.0079 + 184 SYS 62 TIP3 O1 C -0.834000 15.9994 + 185 SYS 62 TIP3 H1 A 0.417000 1.0079 + 186 SYS 62 TIP3 H2 A 0.417000 1.0079 + 187 SYS 63 TIP3 O1 C -0.834000 15.9994 + 188 SYS 63 TIP3 H1 A 0.417000 1.0079 + 189 SYS 63 TIP3 H2 A 0.417000 1.0079 + 190 SYS 64 TIP3 O1 C -0.834000 15.9994 + 191 SYS 64 TIP3 H1 A 0.417000 1.0079 + 192 SYS 64 TIP3 H2 A 0.417000 1.0079 + 193 SYS 65 TIP3 O1 C -0.834000 15.9994 + 194 SYS 65 TIP3 H1 A 0.417000 1.0079 + 195 SYS 65 TIP3 H2 A 0.417000 1.0079 + 196 SYS 66 TIP3 O1 C -0.834000 15.9994 + 197 SYS 66 TIP3 H1 A 0.417000 1.0079 + 198 SYS 66 TIP3 H2 A 0.417000 1.0079 + 199 SYS 67 TIP3 O1 C -0.834000 15.9994 + 200 SYS 67 TIP3 H1 A 0.417000 1.0079 + 201 SYS 67 TIP3 H2 A 0.417000 1.0079 + 202 SYS 68 TIP3 O1 C -0.834000 15.9994 + 203 SYS 68 TIP3 H1 A 0.417000 1.0079 + 204 SYS 68 TIP3 H2 A 0.417000 1.0079 + 205 SYS 69 TIP3 O1 C -0.834000 15.9994 + 206 SYS 69 TIP3 H1 A 0.417000 1.0079 + 207 SYS 69 TIP3 H2 A 0.417000 1.0079 + 208 SYS 70 TIP3 O1 C -0.834000 15.9994 + 209 SYS 70 TIP3 H1 A 0.417000 1.0079 + 210 SYS 70 TIP3 H2 A 0.417000 1.0079 + 211 SYS 71 TIP3 O1 C -0.834000 15.9994 + 212 SYS 71 TIP3 H1 A 0.417000 1.0079 + 213 SYS 71 TIP3 H2 A 0.417000 1.0079 + 214 SYS 72 TIP3 O1 C -0.834000 15.9994 + 215 SYS 72 TIP3 H1 A 0.417000 1.0079 + 216 SYS 72 TIP3 H2 A 0.417000 1.0079 + 217 SYS 73 TIP3 O1 C -0.834000 15.9994 + 218 SYS 73 TIP3 H1 A 0.417000 1.0079 + 219 SYS 73 TIP3 H2 A 0.417000 1.0079 + 220 SYS 74 TIP3 O1 C -0.834000 15.9994 + 221 SYS 74 TIP3 H1 A 0.417000 1.0079 + 222 SYS 74 TIP3 H2 A 0.417000 1.0079 + 223 SYS 75 TIP3 O1 C -0.834000 15.9994 + 224 SYS 75 TIP3 H1 A 0.417000 1.0079 + 225 SYS 75 TIP3 H2 A 0.417000 1.0079 + 226 SYS 76 TIP3 O1 C -0.834000 15.9994 + 227 SYS 76 TIP3 H1 A 0.417000 1.0079 + 228 SYS 76 TIP3 H2 A 0.417000 1.0079 + 229 SYS 77 TIP3 O1 C -0.834000 15.9994 + 230 SYS 77 TIP3 H1 A 0.417000 1.0079 + 231 SYS 77 TIP3 H2 A 0.417000 1.0079 + 232 SYS 78 TIP3 O1 C -0.834000 15.9994 + 233 SYS 78 TIP3 H1 A 0.417000 1.0079 + 234 SYS 78 TIP3 H2 A 0.417000 1.0079 + 235 SYS 79 TIP3 O1 C -0.834000 15.9994 + 236 SYS 79 TIP3 H1 A 0.417000 1.0079 + 237 SYS 79 TIP3 H2 A 0.417000 1.0079 + 238 SYS 80 TIP3 O1 C -0.834000 15.9994 + 239 SYS 80 TIP3 H1 A 0.417000 1.0079 + 240 SYS 80 TIP3 H2 A 0.417000 1.0079 + 241 SYS 81 TIP3 O1 C -0.834000 15.9994 + 242 SYS 81 TIP3 H1 A 0.417000 1.0079 + 243 SYS 81 TIP3 H2 A 0.417000 1.0079 + 244 SYS 82 TIP3 O1 C -0.834000 15.9994 + 245 SYS 82 TIP3 H1 A 0.417000 1.0079 + 246 SYS 82 TIP3 H2 A 0.417000 1.0079 + 247 SYS 83 TIP3 O1 C -0.834000 15.9994 + 248 SYS 83 TIP3 H1 A 0.417000 1.0079 + 249 SYS 83 TIP3 H2 A 0.417000 1.0079 + 250 SYS 84 TIP3 O1 C -0.834000 15.9994 + 251 SYS 84 TIP3 H1 A 0.417000 1.0079 + 252 SYS 84 TIP3 H2 A 0.417000 1.0079 + 253 SYS 85 TIP3 O1 C -0.834000 15.9994 + 254 SYS 85 TIP3 H1 A 0.417000 1.0079 + 255 SYS 85 TIP3 H2 A 0.417000 1.0079 + 256 SYS 86 TIP3 O1 C -0.834000 15.9994 + 257 SYS 86 TIP3 H1 A 0.417000 1.0079 + 258 SYS 86 TIP3 H2 A 0.417000 1.0079 + 259 SYS 87 TIP3 O1 C -0.834000 15.9994 + 260 SYS 87 TIP3 H1 A 0.417000 1.0079 + 261 SYS 87 TIP3 H2 A 0.417000 1.0079 + 262 SYS 88 TIP3 O1 C -0.834000 15.9994 + 263 SYS 88 TIP3 H1 A 0.417000 1.0079 + 264 SYS 88 TIP3 H2 A 0.417000 1.0079 + 265 SYS 89 TIP3 O1 C -0.834000 15.9994 + 266 SYS 89 TIP3 H1 A 0.417000 1.0079 + 267 SYS 89 TIP3 H2 A 0.417000 1.0079 + 268 SYS 90 TIP3 O1 C -0.834000 15.9994 + 269 SYS 90 TIP3 H1 A 0.417000 1.0079 + 270 SYS 90 TIP3 H2 A 0.417000 1.0079 + 271 SYS 91 TIP3 O1 C -0.834000 15.9994 + 272 SYS 91 TIP3 H1 A 0.417000 1.0079 + 273 SYS 91 TIP3 H2 A 0.417000 1.0079 + 274 SYS 92 TIP3 O1 C -0.834000 15.9994 + 275 SYS 92 TIP3 H1 A 0.417000 1.0079 + 276 SYS 92 TIP3 H2 A 0.417000 1.0079 + 277 SYS 93 TIP3 O1 C -0.834000 15.9994 + 278 SYS 93 TIP3 H1 A 0.417000 1.0079 + 279 SYS 93 TIP3 H2 A 0.417000 1.0079 + 280 SYS 94 TIP3 O1 C -0.834000 15.9994 + 281 SYS 94 TIP3 H1 A 0.417000 1.0079 + 282 SYS 94 TIP3 H2 A 0.417000 1.0079 + 283 SYS 95 TIP3 O1 C -0.834000 15.9994 + 284 SYS 95 TIP3 H1 A 0.417000 1.0079 + 285 SYS 95 TIP3 H2 A 0.417000 1.0079 + 286 SYS 96 TIP3 O1 C -0.834000 15.9994 + 287 SYS 96 TIP3 H1 A 0.417000 1.0079 + 288 SYS 96 TIP3 H2 A 0.417000 1.0079 + 289 SYS 97 TIP3 O1 C -0.834000 15.9994 + 290 SYS 97 TIP3 H1 A 0.417000 1.0079 + 291 SYS 97 TIP3 H2 A 0.417000 1.0079 + 292 SYS 98 TIP3 O1 C -0.834000 15.9994 + 293 SYS 98 TIP3 H1 A 0.417000 1.0079 + 294 SYS 98 TIP3 H2 A 0.417000 1.0079 + 295 SYS 99 TIP3 O1 C -0.834000 15.9994 + 296 SYS 99 TIP3 H1 A 0.417000 1.0079 + 297 SYS 99 TIP3 H2 A 0.417000 1.0079 + 298 SYS 100 TIP3 O1 C -0.834000 15.9994 + 299 SYS 100 TIP3 H1 A 0.417000 1.0079 + 300 SYS 100 TIP3 H2 A 0.417000 1.0079 + 301 SYS 101 TIP3 O1 C -0.834000 15.9994 + 302 SYS 101 TIP3 H1 A 0.417000 1.0079 + 303 SYS 101 TIP3 H2 A 0.417000 1.0079 + 304 SYS 102 TIP3 O1 C -0.834000 15.9994 + 305 SYS 102 TIP3 H1 A 0.417000 1.0079 + 306 SYS 102 TIP3 H2 A 0.417000 1.0079 + 307 SYS 103 TIP3 O1 C -0.834000 15.9994 + 308 SYS 103 TIP3 H1 A 0.417000 1.0079 + 309 SYS 103 TIP3 H2 A 0.417000 1.0079 + 310 SYS 104 TIP3 O1 C -0.834000 15.9994 + 311 SYS 104 TIP3 H1 A 0.417000 1.0079 + 312 SYS 104 TIP3 H2 A 0.417000 1.0079 + 313 SYS 105 TIP3 O1 C -0.834000 15.9994 + 314 SYS 105 TIP3 H1 A 0.417000 1.0079 + 315 SYS 105 TIP3 H2 A 0.417000 1.0079 + 316 SYS 106 TIP3 O1 C -0.834000 15.9994 + 317 SYS 106 TIP3 H1 A 0.417000 1.0079 + 318 SYS 106 TIP3 H2 A 0.417000 1.0079 + 319 SYS 107 TIP3 O1 C -0.834000 15.9994 + 320 SYS 107 TIP3 H1 A 0.417000 1.0079 + 321 SYS 107 TIP3 H2 A 0.417000 1.0079 + 322 SYS 108 TIP3 O1 C -0.834000 15.9994 + 323 SYS 108 TIP3 H1 A 0.417000 1.0079 + 324 SYS 108 TIP3 H2 A 0.417000 1.0079 + 325 SYS 109 TIP3 O1 C -0.834000 15.9994 + 326 SYS 109 TIP3 H1 A 0.417000 1.0079 + 327 SYS 109 TIP3 H2 A 0.417000 1.0079 + 328 SYS 110 TIP3 O1 C -0.834000 15.9994 + 329 SYS 110 TIP3 H1 A 0.417000 1.0079 + 330 SYS 110 TIP3 H2 A 0.417000 1.0079 + 331 SYS 111 TIP3 O1 C -0.834000 15.9994 + 332 SYS 111 TIP3 H1 A 0.417000 1.0079 + 333 SYS 111 TIP3 H2 A 0.417000 1.0079 + 334 SYS 112 TIP3 O1 C -0.834000 15.9994 + 335 SYS 112 TIP3 H1 A 0.417000 1.0079 + 336 SYS 112 TIP3 H2 A 0.417000 1.0079 + 337 SYS 113 TIP3 O1 C -0.834000 15.9994 + 338 SYS 113 TIP3 H1 A 0.417000 1.0079 + 339 SYS 113 TIP3 H2 A 0.417000 1.0079 + 340 SYS 114 TIP3 O1 C -0.834000 15.9994 + 341 SYS 114 TIP3 H1 A 0.417000 1.0079 + 342 SYS 114 TIP3 H2 A 0.417000 1.0079 + 343 SYS 115 TIP3 O1 C -0.834000 15.9994 + 344 SYS 115 TIP3 H1 A 0.417000 1.0079 + 345 SYS 115 TIP3 H2 A 0.417000 1.0079 + 346 SYS 116 TIP3 O1 C -0.834000 15.9994 + 347 SYS 116 TIP3 H1 A 0.417000 1.0079 + 348 SYS 116 TIP3 H2 A 0.417000 1.0079 + 349 SYS 117 TIP3 O1 C -0.834000 15.9994 + 350 SYS 117 TIP3 H1 A 0.417000 1.0079 + 351 SYS 117 TIP3 H2 A 0.417000 1.0079 + 352 SYS 118 TIP3 O1 C -0.834000 15.9994 + 353 SYS 118 TIP3 H1 A 0.417000 1.0079 + 354 SYS 118 TIP3 H2 A 0.417000 1.0079 + 355 SYS 119 TIP3 O1 C -0.834000 15.9994 + 356 SYS 119 TIP3 H1 A 0.417000 1.0079 + 357 SYS 119 TIP3 H2 A 0.417000 1.0079 + 358 SYS 120 TIP3 O1 C -0.834000 15.9994 + 359 SYS 120 TIP3 H1 A 0.417000 1.0079 + 360 SYS 120 TIP3 H2 A 0.417000 1.0079 + 361 SYS 121 TIP3 O1 C -0.834000 15.9994 + 362 SYS 121 TIP3 H1 A 0.417000 1.0079 + 363 SYS 121 TIP3 H2 A 0.417000 1.0079 + 364 SYS 122 TIP3 O1 C -0.834000 15.9994 + 365 SYS 122 TIP3 H1 A 0.417000 1.0079 + 366 SYS 122 TIP3 H2 A 0.417000 1.0079 + 367 SYS 123 TIP3 O1 C -0.834000 15.9994 + 368 SYS 123 TIP3 H1 A 0.417000 1.0079 + 369 SYS 123 TIP3 H2 A 0.417000 1.0079 + 370 SYS 124 TIP3 O1 C -0.834000 15.9994 + 371 SYS 124 TIP3 H1 A 0.417000 1.0079 + 372 SYS 124 TIP3 H2 A 0.417000 1.0079 + 373 SYS 125 TIP3 O1 C -0.834000 15.9994 + 374 SYS 125 TIP3 H1 A 0.417000 1.0079 + 375 SYS 125 TIP3 H2 A 0.417000 1.0079 + 376 SYS 126 TIP3 O1 C -0.834000 15.9994 + 377 SYS 126 TIP3 H1 A 0.417000 1.0079 + 378 SYS 126 TIP3 H2 A 0.417000 1.0079 + 379 SYS 127 TIP3 O1 C -0.834000 15.9994 + 380 SYS 127 TIP3 H1 A 0.417000 1.0079 + 381 SYS 127 TIP3 H2 A 0.417000 1.0079 + 382 SYS 128 TIP3 O1 C -0.834000 15.9994 + 383 SYS 128 TIP3 H1 A 0.417000 1.0079 + 384 SYS 128 TIP3 H2 A 0.417000 1.0079 + 385 SYS 129 TIP3 O1 C -0.834000 15.9994 + 386 SYS 129 TIP3 H1 A 0.417000 1.0079 + 387 SYS 129 TIP3 H2 A 0.417000 1.0079 + 388 SYS 130 TIP3 O1 C -0.834000 15.9994 + 389 SYS 130 TIP3 H1 A 0.417000 1.0079 + 390 SYS 130 TIP3 H2 A 0.417000 1.0079 + 391 SYS 131 TIP3 O1 C -0.834000 15.9994 + 392 SYS 131 TIP3 H1 A 0.417000 1.0079 + 393 SYS 131 TIP3 H2 A 0.417000 1.0079 + 394 SYS 132 TIP3 O1 C -0.834000 15.9994 + 395 SYS 132 TIP3 H1 A 0.417000 1.0079 + 396 SYS 132 TIP3 H2 A 0.417000 1.0079 + 397 SYS 133 TIP3 O1 C -0.834000 15.9994 + 398 SYS 133 TIP3 H1 A 0.417000 1.0079 + 399 SYS 133 TIP3 H2 A 0.417000 1.0079 + 400 SYS 134 TIP3 O1 C -0.834000 15.9994 + 401 SYS 134 TIP3 H1 A 0.417000 1.0079 + 402 SYS 134 TIP3 H2 A 0.417000 1.0079 + 403 SYS 135 TIP3 O1 C -0.834000 15.9994 + 404 SYS 135 TIP3 H1 A 0.417000 1.0079 + 405 SYS 135 TIP3 H2 A 0.417000 1.0079 + 406 SYS 136 TIP3 O1 C -0.834000 15.9994 + 407 SYS 136 TIP3 H1 A 0.417000 1.0079 + 408 SYS 136 TIP3 H2 A 0.417000 1.0079 + 409 SYS 137 TIP3 O1 C -0.834000 15.9994 + 410 SYS 137 TIP3 H1 A 0.417000 1.0079 + 411 SYS 137 TIP3 H2 A 0.417000 1.0079 + 412 SYS 138 TIP3 O1 C -0.834000 15.9994 + 413 SYS 138 TIP3 H1 A 0.417000 1.0079 + 414 SYS 138 TIP3 H2 A 0.417000 1.0079 + 415 SYS 139 TIP3 O1 C -0.834000 15.9994 + 416 SYS 139 TIP3 H1 A 0.417000 1.0079 + 417 SYS 139 TIP3 H2 A 0.417000 1.0079 + 418 SYS 140 TIP3 O1 C -0.834000 15.9994 + 419 SYS 140 TIP3 H1 A 0.417000 1.0079 + 420 SYS 140 TIP3 H2 A 0.417000 1.0079 + 421 SYS 141 TIP3 O1 C -0.834000 15.9994 + 422 SYS 141 TIP3 H1 A 0.417000 1.0079 + 423 SYS 141 TIP3 H2 A 0.417000 1.0079 + 424 SYS 142 TIP3 O1 C -0.834000 15.9994 + 425 SYS 142 TIP3 H1 A 0.417000 1.0079 + 426 SYS 142 TIP3 H2 A 0.417000 1.0079 + 427 SYS 143 TIP3 O1 C -0.834000 15.9994 + 428 SYS 143 TIP3 H1 A 0.417000 1.0079 + 429 SYS 143 TIP3 H2 A 0.417000 1.0079 + 430 SYS 144 TIP3 O1 C -0.834000 15.9994 + 431 SYS 144 TIP3 H1 A 0.417000 1.0079 + 432 SYS 144 TIP3 H2 A 0.417000 1.0079 + 433 SYS 145 TIP3 O1 C -0.834000 15.9994 + 434 SYS 145 TIP3 H1 A 0.417000 1.0079 + 435 SYS 145 TIP3 H2 A 0.417000 1.0079 + 436 SYS 146 TIP3 O1 C -0.834000 15.9994 + 437 SYS 146 TIP3 H1 A 0.417000 1.0079 + 438 SYS 146 TIP3 H2 A 0.417000 1.0079 + 439 SYS 147 TIP3 O1 C -0.834000 15.9994 + 440 SYS 147 TIP3 H1 A 0.417000 1.0079 + 441 SYS 147 TIP3 H2 A 0.417000 1.0079 + 442 SYS 148 TIP3 O1 C -0.834000 15.9994 + 443 SYS 148 TIP3 H1 A 0.417000 1.0079 + 444 SYS 148 TIP3 H2 A 0.417000 1.0079 + 445 SYS 149 TIP3 O1 C -0.834000 15.9994 + 446 SYS 149 TIP3 H1 A 0.417000 1.0079 + 447 SYS 149 TIP3 H2 A 0.417000 1.0079 + 448 SYS 150 TIP3 O1 C -0.834000 15.9994 + 449 SYS 150 TIP3 H1 A 0.417000 1.0079 + 450 SYS 150 TIP3 H2 A 0.417000 1.0079 + 451 SYS 151 TIP3 O1 C -0.834000 15.9994 + 452 SYS 151 TIP3 H1 A 0.417000 1.0079 + 453 SYS 151 TIP3 H2 A 0.417000 1.0079 + 454 SYS 152 TIP3 O1 C -0.834000 15.9994 + 455 SYS 152 TIP3 H1 A 0.417000 1.0079 + 456 SYS 152 TIP3 H2 A 0.417000 1.0079 + 457 SYS 153 TIP3 O1 C -0.834000 15.9994 + 458 SYS 153 TIP3 H1 A 0.417000 1.0079 + 459 SYS 153 TIP3 H2 A 0.417000 1.0079 + 460 SYS 154 TIP3 O1 C -0.834000 15.9994 + 461 SYS 154 TIP3 H1 A 0.417000 1.0079 + 462 SYS 154 TIP3 H2 A 0.417000 1.0079 + 463 SYS 155 TIP3 O1 C -0.834000 15.9994 + 464 SYS 155 TIP3 H1 A 0.417000 1.0079 + 465 SYS 155 TIP3 H2 A 0.417000 1.0079 + 466 SYS 156 TIP3 O1 C -0.834000 15.9994 + 467 SYS 156 TIP3 H1 A 0.417000 1.0079 + 468 SYS 156 TIP3 H2 A 0.417000 1.0079 + 469 SYS 157 TIP3 O1 C -0.834000 15.9994 + 470 SYS 157 TIP3 H1 A 0.417000 1.0079 + 471 SYS 157 TIP3 H2 A 0.417000 1.0079 + 472 SYS 158 TIP3 O1 C -0.834000 15.9994 + 473 SYS 158 TIP3 H1 A 0.417000 1.0079 + 474 SYS 158 TIP3 H2 A 0.417000 1.0079 + 475 SYS 159 TIP3 O1 C -0.834000 15.9994 + 476 SYS 159 TIP3 H1 A 0.417000 1.0079 + 477 SYS 159 TIP3 H2 A 0.417000 1.0079 + 478 SYS 160 TIP3 O1 C -0.834000 15.9994 + 479 SYS 160 TIP3 H1 A 0.417000 1.0079 + 480 SYS 160 TIP3 H2 A 0.417000 1.0079 + 481 SYS 161 TIP3 O1 C -0.834000 15.9994 + 482 SYS 161 TIP3 H1 A 0.417000 1.0079 + 483 SYS 161 TIP3 H2 A 0.417000 1.0079 + 484 SYS 162 TIP3 O1 C -0.834000 15.9994 + 485 SYS 162 TIP3 H1 A 0.417000 1.0079 + 486 SYS 162 TIP3 H2 A 0.417000 1.0079 + 487 SYS 163 TIP3 O1 C -0.834000 15.9994 + 488 SYS 163 TIP3 H1 A 0.417000 1.0079 + 489 SYS 163 TIP3 H2 A 0.417000 1.0079 + 490 SYS 164 TIP3 O1 C -0.834000 15.9994 + 491 SYS 164 TIP3 H1 A 0.417000 1.0079 + 492 SYS 164 TIP3 H2 A 0.417000 1.0079 + 493 SYS 165 TIP3 O1 C -0.834000 15.9994 + 494 SYS 165 TIP3 H1 A 0.417000 1.0079 + 495 SYS 165 TIP3 H2 A 0.417000 1.0079 + 496 SYS 166 TIP3 O1 C -0.834000 15.9994 + 497 SYS 166 TIP3 H1 A 0.417000 1.0079 + 498 SYS 166 TIP3 H2 A 0.417000 1.0079 + 499 SYS 167 TIP3 O1 C -0.834000 15.9994 + 500 SYS 167 TIP3 H1 A 0.417000 1.0079 + 501 SYS 167 TIP3 H2 A 0.417000 1.0079 + 502 SYS 168 TIP3 O1 C -0.834000 15.9994 + 503 SYS 168 TIP3 H1 A 0.417000 1.0079 + 504 SYS 168 TIP3 H2 A 0.417000 1.0079 + 505 SYS 169 TIP3 O1 C -0.834000 15.9994 + 506 SYS 169 TIP3 H1 A 0.417000 1.0079 + 507 SYS 169 TIP3 H2 A 0.417000 1.0079 + 508 SYS 170 TIP3 O1 C -0.834000 15.9994 + 509 SYS 170 TIP3 H1 A 0.417000 1.0079 + 510 SYS 170 TIP3 H2 A 0.417000 1.0079 + 511 SYS 171 TIP3 O1 C -0.834000 15.9994 + 512 SYS 171 TIP3 H1 A 0.417000 1.0079 + 513 SYS 171 TIP3 H2 A 0.417000 1.0079 + 514 SYS 172 TIP3 O1 C -0.834000 15.9994 + 515 SYS 172 TIP3 H1 A 0.417000 1.0079 + 516 SYS 172 TIP3 H2 A 0.417000 1.0079 + 517 SYS 173 TIP3 O1 C -0.834000 15.9994 + 518 SYS 173 TIP3 H1 A 0.417000 1.0079 + 519 SYS 173 TIP3 H2 A 0.417000 1.0079 + 520 SYS 174 TIP3 O1 C -0.834000 15.9994 + 521 SYS 174 TIP3 H1 A 0.417000 1.0079 + 522 SYS 174 TIP3 H2 A 0.417000 1.0079 + 523 SYS 175 TIP3 O1 C -0.834000 15.9994 + 524 SYS 175 TIP3 H1 A 0.417000 1.0079 + 525 SYS 175 TIP3 H2 A 0.417000 1.0079 + 526 SYS 176 TIP3 O1 C -0.834000 15.9994 + 527 SYS 176 TIP3 H1 A 0.417000 1.0079 + 528 SYS 176 TIP3 H2 A 0.417000 1.0079 + 529 SYS 177 TIP3 O1 C -0.834000 15.9994 + 530 SYS 177 TIP3 H1 A 0.417000 1.0079 + 531 SYS 177 TIP3 H2 A 0.417000 1.0079 + 532 SYS 178 TIP3 O1 C -0.834000 15.9994 + 533 SYS 178 TIP3 H1 A 0.417000 1.0079 + 534 SYS 178 TIP3 H2 A 0.417000 1.0079 + 535 SYS 179 TIP3 O1 C -0.834000 15.9994 + 536 SYS 179 TIP3 H1 A 0.417000 1.0079 + 537 SYS 179 TIP3 H2 A 0.417000 1.0079 + 538 SYS 180 TIP3 O1 C -0.834000 15.9994 + 539 SYS 180 TIP3 H1 A 0.417000 1.0079 + 540 SYS 180 TIP3 H2 A 0.417000 1.0079 + 541 SYS 181 TIP3 O1 C -0.834000 15.9994 + 542 SYS 181 TIP3 H1 A 0.417000 1.0079 + 543 SYS 181 TIP3 H2 A 0.417000 1.0079 + 544 SYS 182 TIP3 O1 C -0.834000 15.9994 + 545 SYS 182 TIP3 H1 A 0.417000 1.0079 + 546 SYS 182 TIP3 H2 A 0.417000 1.0079 + 547 SYS 183 TIP3 O1 C -0.834000 15.9994 + 548 SYS 183 TIP3 H1 A 0.417000 1.0079 + 549 SYS 183 TIP3 H2 A 0.417000 1.0079 + 550 SYS 184 TIP3 O1 C -0.834000 15.9994 + 551 SYS 184 TIP3 H1 A 0.417000 1.0079 + 552 SYS 184 TIP3 H2 A 0.417000 1.0079 + 553 SYS 185 TIP3 O1 C -0.834000 15.9994 + 554 SYS 185 TIP3 H1 A 0.417000 1.0079 + 555 SYS 185 TIP3 H2 A 0.417000 1.0079 + 556 SYS 186 TIP3 O1 C -0.834000 15.9994 + 557 SYS 186 TIP3 H1 A 0.417000 1.0079 + 558 SYS 186 TIP3 H2 A 0.417000 1.0079 + 559 SYS 187 TIP3 O1 C -0.834000 15.9994 + 560 SYS 187 TIP3 H1 A 0.417000 1.0079 + 561 SYS 187 TIP3 H2 A 0.417000 1.0079 + 562 SYS 188 TIP3 O1 C -0.834000 15.9994 + 563 SYS 188 TIP3 H1 A 0.417000 1.0079 + 564 SYS 188 TIP3 H2 A 0.417000 1.0079 + 565 SYS 189 TIP3 O1 C -0.834000 15.9994 + 566 SYS 189 TIP3 H1 A 0.417000 1.0079 + 567 SYS 189 TIP3 H2 A 0.417000 1.0079 + 568 SYS 190 TIP3 O1 C -0.834000 15.9994 + 569 SYS 190 TIP3 H1 A 0.417000 1.0079 + 570 SYS 190 TIP3 H2 A 0.417000 1.0079 + 571 SYS 191 TIP3 O1 C -0.834000 15.9994 + 572 SYS 191 TIP3 H1 A 0.417000 1.0079 + 573 SYS 191 TIP3 H2 A 0.417000 1.0079 + 574 SYS 192 TIP3 O1 C -0.834000 15.9994 + 575 SYS 192 TIP3 H1 A 0.417000 1.0079 + 576 SYS 192 TIP3 H2 A 0.417000 1.0079 + 577 SYS 193 TIP3 O1 C -0.834000 15.9994 + 578 SYS 193 TIP3 H1 A 0.417000 1.0079 + 579 SYS 193 TIP3 H2 A 0.417000 1.0079 + 580 SYS 194 TIP3 O1 C -0.834000 15.9994 + 581 SYS 194 TIP3 H1 A 0.417000 1.0079 + 582 SYS 194 TIP3 H2 A 0.417000 1.0079 + 583 SYS 195 TIP3 O1 C -0.834000 15.9994 + 584 SYS 195 TIP3 H1 A 0.417000 1.0079 + 585 SYS 195 TIP3 H2 A 0.417000 1.0079 + 586 SYS 196 TIP3 O1 C -0.834000 15.9994 + 587 SYS 196 TIP3 H1 A 0.417000 1.0079 + 588 SYS 196 TIP3 H2 A 0.417000 1.0079 + 589 SYS 197 TIP3 O1 C -0.834000 15.9994 + 590 SYS 197 TIP3 H1 A 0.417000 1.0079 + 591 SYS 197 TIP3 H2 A 0.417000 1.0079 + 592 SYS 198 TIP3 O1 C -0.834000 15.9994 + 593 SYS 198 TIP3 H1 A 0.417000 1.0079 + 594 SYS 198 TIP3 H2 A 0.417000 1.0079 + 595 SYS 199 TIP3 O1 C -0.834000 15.9994 + 596 SYS 199 TIP3 H1 A 0.417000 1.0079 + 597 SYS 199 TIP3 H2 A 0.417000 1.0079 + 598 SYS 200 TIP3 O1 C -0.834000 15.9994 + 599 SYS 200 TIP3 H1 A 0.417000 1.0079 + 600 SYS 200 TIP3 H2 A 0.417000 1.0079 + 601 SYS 201 TIP3 O1 C -0.834000 15.9994 + 602 SYS 201 TIP3 H1 A 0.417000 1.0079 + 603 SYS 201 TIP3 H2 A 0.417000 1.0079 + 604 SYS 202 TIP3 O1 C -0.834000 15.9994 + 605 SYS 202 TIP3 H1 A 0.417000 1.0079 + 606 SYS 202 TIP3 H2 A 0.417000 1.0079 + 607 SYS 203 TIP3 O1 C -0.834000 15.9994 + 608 SYS 203 TIP3 H1 A 0.417000 1.0079 + 609 SYS 203 TIP3 H2 A 0.417000 1.0079 + 610 SYS 204 TIP3 O1 C -0.834000 15.9994 + 611 SYS 204 TIP3 H1 A 0.417000 1.0079 + 612 SYS 204 TIP3 H2 A 0.417000 1.0079 + 613 SYS 205 TIP3 O1 C -0.834000 15.9994 + 614 SYS 205 TIP3 H1 A 0.417000 1.0079 + 615 SYS 205 TIP3 H2 A 0.417000 1.0079 + 616 SYS 206 TIP3 O1 C -0.834000 15.9994 + 617 SYS 206 TIP3 H1 A 0.417000 1.0079 + 618 SYS 206 TIP3 H2 A 0.417000 1.0079 + 619 SYS 207 TIP3 O1 C -0.834000 15.9994 + 620 SYS 207 TIP3 H1 A 0.417000 1.0079 + 621 SYS 207 TIP3 H2 A 0.417000 1.0079 + 622 SYS 208 TIP3 O1 C -0.834000 15.9994 + 623 SYS 208 TIP3 H1 A 0.417000 1.0079 + 624 SYS 208 TIP3 H2 A 0.417000 1.0079 + 625 SYS 209 TIP3 O1 C -0.834000 15.9994 + 626 SYS 209 TIP3 H1 A 0.417000 1.0079 + 627 SYS 209 TIP3 H2 A 0.417000 1.0079 + 628 SYS 210 TIP3 O1 C -0.834000 15.9994 + 629 SYS 210 TIP3 H1 A 0.417000 1.0079 + 630 SYS 210 TIP3 H2 A 0.417000 1.0079 + 631 SYS 211 TIP3 O1 C -0.834000 15.9994 + 632 SYS 211 TIP3 H1 A 0.417000 1.0079 + 633 SYS 211 TIP3 H2 A 0.417000 1.0079 + 634 SYS 212 TIP3 O1 C -0.834000 15.9994 + 635 SYS 212 TIP3 H1 A 0.417000 1.0079 + 636 SYS 212 TIP3 H2 A 0.417000 1.0079 + 637 SYS 213 TIP3 O1 C -0.834000 15.9994 + 638 SYS 213 TIP3 H1 A 0.417000 1.0079 + 639 SYS 213 TIP3 H2 A 0.417000 1.0079 + 640 SYS 214 TIP3 O1 C -0.834000 15.9994 + 641 SYS 214 TIP3 H1 A 0.417000 1.0079 + 642 SYS 214 TIP3 H2 A 0.417000 1.0079 + 643 SYS 215 TIP3 O1 C -0.834000 15.9994 + 644 SYS 215 TIP3 H1 A 0.417000 1.0079 + 645 SYS 215 TIP3 H2 A 0.417000 1.0079 + 646 SYS 216 TIP3 O1 C -0.834000 15.9994 + 647 SYS 216 TIP3 H1 A 0.417000 1.0079 + 648 SYS 216 TIP3 H2 A 0.417000 1.0079 + 649 SYS 217 TIP3 O1 C -0.834000 15.9994 + 650 SYS 217 TIP3 H1 A 0.417000 1.0079 + 651 SYS 217 TIP3 H2 A 0.417000 1.0079 + 652 SYS 218 TIP3 O1 C -0.834000 15.9994 + 653 SYS 218 TIP3 H1 A 0.417000 1.0079 + 654 SYS 218 TIP3 H2 A 0.417000 1.0079 + 655 SYS 219 TIP3 O1 C -0.834000 15.9994 + 656 SYS 219 TIP3 H1 A 0.417000 1.0079 + 657 SYS 219 TIP3 H2 A 0.417000 1.0079 + 658 SYS 220 TIP3 O1 C -0.834000 15.9994 + 659 SYS 220 TIP3 H1 A 0.417000 1.0079 + 660 SYS 220 TIP3 H2 A 0.417000 1.0079 + 661 SYS 221 TIP3 O1 C -0.834000 15.9994 + 662 SYS 221 TIP3 H1 A 0.417000 1.0079 + 663 SYS 221 TIP3 H2 A 0.417000 1.0079 + 664 SYS 222 TIP3 O1 C -0.834000 15.9994 + 665 SYS 222 TIP3 H1 A 0.417000 1.0079 + 666 SYS 222 TIP3 H2 A 0.417000 1.0079 + 667 SYS 223 TIP3 O1 C -0.834000 15.9994 + 668 SYS 223 TIP3 H1 A 0.417000 1.0079 + 669 SYS 223 TIP3 H2 A 0.417000 1.0079 + 670 SYS 224 TIP3 O1 C -0.834000 15.9994 + 671 SYS 224 TIP3 H1 A 0.417000 1.0079 + 672 SYS 224 TIP3 H2 A 0.417000 1.0079 + 673 SYS 225 TIP3 O1 C -0.834000 15.9994 + 674 SYS 225 TIP3 H1 A 0.417000 1.0079 + 675 SYS 225 TIP3 H2 A 0.417000 1.0079 + 676 SYS 226 TIP3 O1 C -0.834000 15.9994 + 677 SYS 226 TIP3 H1 A 0.417000 1.0079 + 678 SYS 226 TIP3 H2 A 0.417000 1.0079 + 679 SYS 227 TIP3 O1 C -0.834000 15.9994 + 680 SYS 227 TIP3 H1 A 0.417000 1.0079 + 681 SYS 227 TIP3 H2 A 0.417000 1.0079 + 682 SYS 228 TIP3 O1 C -0.834000 15.9994 + 683 SYS 228 TIP3 H1 A 0.417000 1.0079 + 684 SYS 228 TIP3 H2 A 0.417000 1.0079 + 685 SYS 229 TIP3 O1 C -0.834000 15.9994 + 686 SYS 229 TIP3 H1 A 0.417000 1.0079 + 687 SYS 229 TIP3 H2 A 0.417000 1.0079 + 688 SYS 230 TIP3 O1 C -0.834000 15.9994 + 689 SYS 230 TIP3 H1 A 0.417000 1.0079 + 690 SYS 230 TIP3 H2 A 0.417000 1.0079 + 691 SYS 231 TIP3 O1 C -0.834000 15.9994 + 692 SYS 231 TIP3 H1 A 0.417000 1.0079 + 693 SYS 231 TIP3 H2 A 0.417000 1.0079 + 694 SYS 232 TIP3 O1 C -0.834000 15.9994 + 695 SYS 232 TIP3 H1 A 0.417000 1.0079 + 696 SYS 232 TIP3 H2 A 0.417000 1.0079 + 697 SYS 233 TIP3 O1 C -0.834000 15.9994 + 698 SYS 233 TIP3 H1 A 0.417000 1.0079 + 699 SYS 233 TIP3 H2 A 0.417000 1.0079 + 700 SYS 234 TIP3 O1 C -0.834000 15.9994 + 701 SYS 234 TIP3 H1 A 0.417000 1.0079 + 702 SYS 234 TIP3 H2 A 0.417000 1.0079 + 703 SYS 235 TIP3 O1 C -0.834000 15.9994 + 704 SYS 235 TIP3 H1 A 0.417000 1.0079 + 705 SYS 235 TIP3 H2 A 0.417000 1.0079 + 706 SYS 236 TIP3 O1 C -0.834000 15.9994 + 707 SYS 236 TIP3 H1 A 0.417000 1.0079 + 708 SYS 236 TIP3 H2 A 0.417000 1.0079 + 709 SYS 237 TIP3 O1 C -0.834000 15.9994 + 710 SYS 237 TIP3 H1 A 0.417000 1.0079 + 711 SYS 237 TIP3 H2 A 0.417000 1.0079 + 712 SYS 238 TIP3 O1 C -0.834000 15.9994 + 713 SYS 238 TIP3 H1 A 0.417000 1.0079 + 714 SYS 238 TIP3 H2 A 0.417000 1.0079 + 715 SYS 239 TIP3 O1 C -0.834000 15.9994 + 716 SYS 239 TIP3 H1 A 0.417000 1.0079 + 717 SYS 239 TIP3 H2 A 0.417000 1.0079 + 718 SYS 240 TIP3 O1 C -0.834000 15.9994 + 719 SYS 240 TIP3 H1 A 0.417000 1.0079 + 720 SYS 240 TIP3 H2 A 0.417000 1.0079 + 721 SYS 241 TIP3 O1 C -0.834000 15.9994 + 722 SYS 241 TIP3 H1 A 0.417000 1.0079 + 723 SYS 241 TIP3 H2 A 0.417000 1.0079 + 724 SYS 242 TIP3 O1 C -0.834000 15.9994 + 725 SYS 242 TIP3 H1 A 0.417000 1.0079 + 726 SYS 242 TIP3 H2 A 0.417000 1.0079 + 727 SYS 243 TIP3 O1 C -0.834000 15.9994 + 728 SYS 243 TIP3 H1 A 0.417000 1.0079 + 729 SYS 243 TIP3 H2 A 0.417000 1.0079 + 730 SYS 244 TIP3 O1 C -0.834000 15.9994 + 731 SYS 244 TIP3 H1 A 0.417000 1.0079 + 732 SYS 244 TIP3 H2 A 0.417000 1.0079 + 733 SYS 245 TIP3 O1 C -0.834000 15.9994 + 734 SYS 245 TIP3 H1 A 0.417000 1.0079 + 735 SYS 245 TIP3 H2 A 0.417000 1.0079 + 736 SYS 246 TIP3 O1 C -0.834000 15.9994 + 737 SYS 246 TIP3 H1 A 0.417000 1.0079 + 738 SYS 246 TIP3 H2 A 0.417000 1.0079 + 739 SYS 247 TIP3 O1 C -0.834000 15.9994 + 740 SYS 247 TIP3 H1 A 0.417000 1.0079 + 741 SYS 247 TIP3 H2 A 0.417000 1.0079 + 742 SYS 248 TIP3 O1 C -0.834000 15.9994 + 743 SYS 248 TIP3 H1 A 0.417000 1.0079 + 744 SYS 248 TIP3 H2 A 0.417000 1.0079 + 745 SYS 249 TIP3 O1 C -0.834000 15.9994 + 746 SYS 249 TIP3 H1 A 0.417000 1.0079 + 747 SYS 249 TIP3 H2 A 0.417000 1.0079 + 748 SYS 250 TIP3 O1 C -0.834000 15.9994 + 749 SYS 250 TIP3 H1 A 0.417000 1.0079 + 750 SYS 250 TIP3 H2 A 0.417000 1.0079 + 751 SYS 251 TIP3 O1 C -0.834000 15.9994 + 752 SYS 251 TIP3 H1 A 0.417000 1.0079 + 753 SYS 251 TIP3 H2 A 0.417000 1.0079 + 754 SYS 252 TIP3 O1 C -0.834000 15.9994 + 755 SYS 252 TIP3 H1 A 0.417000 1.0079 + 756 SYS 252 TIP3 H2 A 0.417000 1.0079 + 757 SYS 253 TIP3 O1 C -0.834000 15.9994 + 758 SYS 253 TIP3 H1 A 0.417000 1.0079 + 759 SYS 253 TIP3 H2 A 0.417000 1.0079 + 760 SYS 254 TIP3 O1 C -0.834000 15.9994 + 761 SYS 254 TIP3 H1 A 0.417000 1.0079 + 762 SYS 254 TIP3 H2 A 0.417000 1.0079 + 763 SYS 255 TIP3 O1 C -0.834000 15.9994 + 764 SYS 255 TIP3 H1 A 0.417000 1.0079 + 765 SYS 255 TIP3 H2 A 0.417000 1.0079 + 766 SYS 256 TIP3 O1 C -0.834000 15.9994 + 767 SYS 256 TIP3 H1 A 0.417000 1.0079 + 768 SYS 256 TIP3 H2 A 0.417000 1.0079 + 769 SYS 257 TIP3 O1 C -0.834000 15.9994 + 770 SYS 257 TIP3 H1 A 0.417000 1.0079 + 771 SYS 257 TIP3 H2 A 0.417000 1.0079 + 772 SYS 258 TIP3 O1 C -0.834000 15.9994 + 773 SYS 258 TIP3 H1 A 0.417000 1.0079 + 774 SYS 258 TIP3 H2 A 0.417000 1.0079 + 775 SYS 259 TIP3 O1 C -0.834000 15.9994 + 776 SYS 259 TIP3 H1 A 0.417000 1.0079 + 777 SYS 259 TIP3 H2 A 0.417000 1.0079 + 778 SYS 260 TIP3 O1 C -0.834000 15.9994 + 779 SYS 260 TIP3 H1 A 0.417000 1.0079 + 780 SYS 260 TIP3 H2 A 0.417000 1.0079 + 781 SYS 261 TIP3 O1 C -0.834000 15.9994 + 782 SYS 261 TIP3 H1 A 0.417000 1.0079 + 783 SYS 261 TIP3 H2 A 0.417000 1.0079 + 784 SYS 262 TIP3 O1 C -0.834000 15.9994 + 785 SYS 262 TIP3 H1 A 0.417000 1.0079 + 786 SYS 262 TIP3 H2 A 0.417000 1.0079 + 787 SYS 263 TIP3 O1 C -0.834000 15.9994 + 788 SYS 263 TIP3 H1 A 0.417000 1.0079 + 789 SYS 263 TIP3 H2 A 0.417000 1.0079 + 790 SYS 264 TIP3 O1 C -0.834000 15.9994 + 791 SYS 264 TIP3 H1 A 0.417000 1.0079 + 792 SYS 264 TIP3 H2 A 0.417000 1.0079 + 793 SYS 265 TIP3 O1 C -0.834000 15.9994 + 794 SYS 265 TIP3 H1 A 0.417000 1.0079 + 795 SYS 265 TIP3 H2 A 0.417000 1.0079 + 796 SYS 266 TIP3 O1 C -0.834000 15.9994 + 797 SYS 266 TIP3 H1 A 0.417000 1.0079 + 798 SYS 266 TIP3 H2 A 0.417000 1.0079 + 799 SYS 267 TIP3 O1 C -0.834000 15.9994 + 800 SYS 267 TIP3 H1 A 0.417000 1.0079 + 801 SYS 267 TIP3 H2 A 0.417000 1.0079 + 802 SYS 268 TIP3 O1 C -0.834000 15.9994 + 803 SYS 268 TIP3 H1 A 0.417000 1.0079 + 804 SYS 268 TIP3 H2 A 0.417000 1.0079 + 805 SYS 269 TIP3 O1 C -0.834000 15.9994 + 806 SYS 269 TIP3 H1 A 0.417000 1.0079 + 807 SYS 269 TIP3 H2 A 0.417000 1.0079 + 808 SYS 270 TIP3 O1 C -0.834000 15.9994 + 809 SYS 270 TIP3 H1 A 0.417000 1.0079 + 810 SYS 270 TIP3 H2 A 0.417000 1.0079 + 811 SYS 271 TIP3 O1 C -0.834000 15.9994 + 812 SYS 271 TIP3 H1 A 0.417000 1.0079 + 813 SYS 271 TIP3 H2 A 0.417000 1.0079 + 814 SYS 272 TIP3 O1 C -0.834000 15.9994 + 815 SYS 272 TIP3 H1 A 0.417000 1.0079 + 816 SYS 272 TIP3 H2 A 0.417000 1.0079 + 817 SYS 273 TIP3 O1 C -0.834000 15.9994 + 818 SYS 273 TIP3 H1 A 0.417000 1.0079 + 819 SYS 273 TIP3 H2 A 0.417000 1.0079 + 820 SYS 274 TIP3 O1 C -0.834000 15.9994 + 821 SYS 274 TIP3 H1 A 0.417000 1.0079 + 822 SYS 274 TIP3 H2 A 0.417000 1.0079 + 823 SYS 275 TIP3 O1 C -0.834000 15.9994 + 824 SYS 275 TIP3 H1 A 0.417000 1.0079 + 825 SYS 275 TIP3 H2 A 0.417000 1.0079 + 826 SYS 276 TIP3 O1 C -0.834000 15.9994 + 827 SYS 276 TIP3 H1 A 0.417000 1.0079 + 828 SYS 276 TIP3 H2 A 0.417000 1.0079 + 829 SYS 277 TIP3 O1 C -0.834000 15.9994 + 830 SYS 277 TIP3 H1 A 0.417000 1.0079 + 831 SYS 277 TIP3 H2 A 0.417000 1.0079 + 832 SYS 278 TIP3 O1 C -0.834000 15.9994 + 833 SYS 278 TIP3 H1 A 0.417000 1.0079 + 834 SYS 278 TIP3 H2 A 0.417000 1.0079 + 835 SYS 279 TIP3 O1 C -0.834000 15.9994 + 836 SYS 279 TIP3 H1 A 0.417000 1.0079 + 837 SYS 279 TIP3 H2 A 0.417000 1.0079 + 838 SYS 280 TIP3 O1 C -0.834000 15.9994 + 839 SYS 280 TIP3 H1 A 0.417000 1.0079 + 840 SYS 280 TIP3 H2 A 0.417000 1.0079 + 841 SYS 281 TIP3 O1 C -0.834000 15.9994 + 842 SYS 281 TIP3 H1 A 0.417000 1.0079 + 843 SYS 281 TIP3 H2 A 0.417000 1.0079 + 844 SYS 282 TIP3 O1 C -0.834000 15.9994 + 845 SYS 282 TIP3 H1 A 0.417000 1.0079 + 846 SYS 282 TIP3 H2 A 0.417000 1.0079 + 847 SYS 283 TIP3 O1 C -0.834000 15.9994 + 848 SYS 283 TIP3 H1 A 0.417000 1.0079 + 849 SYS 283 TIP3 H2 A 0.417000 1.0079 + 850 SYS 284 TIP3 O1 C -0.834000 15.9994 + 851 SYS 284 TIP3 H1 A 0.417000 1.0079 + 852 SYS 284 TIP3 H2 A 0.417000 1.0079 + 853 SYS 285 TIP3 O1 C -0.834000 15.9994 + 854 SYS 285 TIP3 H1 A 0.417000 1.0079 + 855 SYS 285 TIP3 H2 A 0.417000 1.0079 + 856 SYS 286 TIP3 O1 C -0.834000 15.9994 + 857 SYS 286 TIP3 H1 A 0.417000 1.0079 + 858 SYS 286 TIP3 H2 A 0.417000 1.0079 + 859 SYS 287 TIP3 O1 C -0.834000 15.9994 + 860 SYS 287 TIP3 H1 A 0.417000 1.0079 + 861 SYS 287 TIP3 H2 A 0.417000 1.0079 + 862 SYS 288 TIP3 O1 C -0.834000 15.9994 + 863 SYS 288 TIP3 H1 A 0.417000 1.0079 + 864 SYS 288 TIP3 H2 A 0.417000 1.0079 + 865 SYS 289 TIP3 O1 C -0.834000 15.9994 + 866 SYS 289 TIP3 H1 A 0.417000 1.0079 + 867 SYS 289 TIP3 H2 A 0.417000 1.0079 + 868 SYS 290 TIP3 O1 C -0.834000 15.9994 + 869 SYS 290 TIP3 H1 A 0.417000 1.0079 + 870 SYS 290 TIP3 H2 A 0.417000 1.0079 + 871 SYS 291 TIP3 O1 C -0.834000 15.9994 + 872 SYS 291 TIP3 H1 A 0.417000 1.0079 + 873 SYS 291 TIP3 H2 A 0.417000 1.0079 + 874 SYS 292 TIP3 O1 C -0.834000 15.9994 + 875 SYS 292 TIP3 H1 A 0.417000 1.0079 + 876 SYS 292 TIP3 H2 A 0.417000 1.0079 + 877 SYS 293 TIP3 O1 C -0.834000 15.9994 + 878 SYS 293 TIP3 H1 A 0.417000 1.0079 + 879 SYS 293 TIP3 H2 A 0.417000 1.0079 + 880 SYS 294 TIP3 O1 C -0.834000 15.9994 + 881 SYS 294 TIP3 H1 A 0.417000 1.0079 + 882 SYS 294 TIP3 H2 A 0.417000 1.0079 + 883 SYS 295 TIP3 O1 C -0.834000 15.9994 + 884 SYS 295 TIP3 H1 A 0.417000 1.0079 + 885 SYS 295 TIP3 H2 A 0.417000 1.0079 + 886 SYS 296 TIP3 O1 C -0.834000 15.9994 + 887 SYS 296 TIP3 H1 A 0.417000 1.0079 + 888 SYS 296 TIP3 H2 A 0.417000 1.0079 + 889 SYS 297 TIP3 O1 C -0.834000 15.9994 + 890 SYS 297 TIP3 H1 A 0.417000 1.0079 + 891 SYS 297 TIP3 H2 A 0.417000 1.0079 + 892 SYS 298 TIP3 O1 C -0.834000 15.9994 + 893 SYS 298 TIP3 H1 A 0.417000 1.0079 + 894 SYS 298 TIP3 H2 A 0.417000 1.0079 + 895 SYS 299 TIP3 O1 C -0.834000 15.9994 + 896 SYS 299 TIP3 H1 A 0.417000 1.0079 + 897 SYS 299 TIP3 H2 A 0.417000 1.0079 + 898 SYS 300 TIP3 O1 C -0.834000 15.9994 + 899 SYS 300 TIP3 H1 A 0.417000 1.0079 + 900 SYS 300 TIP3 H2 A 0.417000 1.0079 + 901 SYS 301 TIP3 O1 C -0.834000 15.9994 + 902 SYS 301 TIP3 H1 A 0.417000 1.0079 + 903 SYS 301 TIP3 H2 A 0.417000 1.0079 + 904 SYS 302 TIP3 O1 C -0.834000 15.9994 + 905 SYS 302 TIP3 H1 A 0.417000 1.0079 + 906 SYS 302 TIP3 H2 A 0.417000 1.0079 + 907 SYS 303 TIP3 O1 C -0.834000 15.9994 + 908 SYS 303 TIP3 H1 A 0.417000 1.0079 + 909 SYS 303 TIP3 H2 A 0.417000 1.0079 + 910 SYS 304 TIP3 O1 C -0.834000 15.9994 + 911 SYS 304 TIP3 H1 A 0.417000 1.0079 + 912 SYS 304 TIP3 H2 A 0.417000 1.0079 + 913 SYS 305 TIP3 O1 C -0.834000 15.9994 + 914 SYS 305 TIP3 H1 A 0.417000 1.0079 + 915 SYS 305 TIP3 H2 A 0.417000 1.0079 + 916 SYS 306 TIP3 O1 C -0.834000 15.9994 + 917 SYS 306 TIP3 H1 A 0.417000 1.0079 + 918 SYS 306 TIP3 H2 A 0.417000 1.0079 + 919 SYS 307 TIP3 O1 C -0.834000 15.9994 + 920 SYS 307 TIP3 H1 A 0.417000 1.0079 + 921 SYS 307 TIP3 H2 A 0.417000 1.0079 + 922 SYS 308 TIP3 O1 C -0.834000 15.9994 + 923 SYS 308 TIP3 H1 A 0.417000 1.0079 + 924 SYS 308 TIP3 H2 A 0.417000 1.0079 + 925 SYS 309 TIP3 O1 C -0.834000 15.9994 + 926 SYS 309 TIP3 H1 A 0.417000 1.0079 + 927 SYS 309 TIP3 H2 A 0.417000 1.0079 + 928 SYS 310 TIP3 O1 C -0.834000 15.9994 + 929 SYS 310 TIP3 H1 A 0.417000 1.0079 + 930 SYS 310 TIP3 H2 A 0.417000 1.0079 + 931 SYS 311 TIP3 O1 C -0.834000 15.9994 + 932 SYS 311 TIP3 H1 A 0.417000 1.0079 + 933 SYS 311 TIP3 H2 A 0.417000 1.0079 + 934 SYS 312 TIP3 O1 C -0.834000 15.9994 + 935 SYS 312 TIP3 H1 A 0.417000 1.0079 + 936 SYS 312 TIP3 H2 A 0.417000 1.0079 + 937 SYS 313 TIP3 O1 C -0.834000 15.9994 + 938 SYS 313 TIP3 H1 A 0.417000 1.0079 + 939 SYS 313 TIP3 H2 A 0.417000 1.0079 + 940 SYS 314 TIP3 O1 C -0.834000 15.9994 + 941 SYS 314 TIP3 H1 A 0.417000 1.0079 + 942 SYS 314 TIP3 H2 A 0.417000 1.0079 + 943 SYS 315 TIP3 O1 C -0.834000 15.9994 + 944 SYS 315 TIP3 H1 A 0.417000 1.0079 + 945 SYS 315 TIP3 H2 A 0.417000 1.0079 + 946 SYS 316 TIP3 O1 C -0.834000 15.9994 + 947 SYS 316 TIP3 H1 A 0.417000 1.0079 + 948 SYS 316 TIP3 H2 A 0.417000 1.0079 + 949 SYS 317 TIP3 O1 C -0.834000 15.9994 + 950 SYS 317 TIP3 H1 A 0.417000 1.0079 + 951 SYS 317 TIP3 H2 A 0.417000 1.0079 + 952 SYS 318 TIP3 O1 C -0.834000 15.9994 + 953 SYS 318 TIP3 H1 A 0.417000 1.0079 + 954 SYS 318 TIP3 H2 A 0.417000 1.0079 + 955 SYS 319 TIP3 O1 C -0.834000 15.9994 + 956 SYS 319 TIP3 H1 A 0.417000 1.0079 + 957 SYS 319 TIP3 H2 A 0.417000 1.0079 + 958 SYS 320 TIP3 O1 C -0.834000 15.9994 + 959 SYS 320 TIP3 H1 A 0.417000 1.0079 + 960 SYS 320 TIP3 H2 A 0.417000 1.0079 + 961 SYS 321 TIP3 O1 C -0.834000 15.9994 + 962 SYS 321 TIP3 H1 A 0.417000 1.0079 + 963 SYS 321 TIP3 H2 A 0.417000 1.0079 + 964 SYS 322 TIP3 O1 C -0.834000 15.9994 + 965 SYS 322 TIP3 H1 A 0.417000 1.0079 + 966 SYS 322 TIP3 H2 A 0.417000 1.0079 + 967 SYS 323 TIP3 O1 C -0.834000 15.9994 + 968 SYS 323 TIP3 H1 A 0.417000 1.0079 + 969 SYS 323 TIP3 H2 A 0.417000 1.0079 + 970 SYS 324 TIP3 O1 C -0.834000 15.9994 + 971 SYS 324 TIP3 H1 A 0.417000 1.0079 + 972 SYS 324 TIP3 H2 A 0.417000 1.0079 + 973 SYS 325 TIP3 O1 C -0.834000 15.9994 + 974 SYS 325 TIP3 H1 A 0.417000 1.0079 + 975 SYS 325 TIP3 H2 A 0.417000 1.0079 + 976 SYS 326 TIP3 O1 C -0.834000 15.9994 + 977 SYS 326 TIP3 H1 A 0.417000 1.0079 + 978 SYS 326 TIP3 H2 A 0.417000 1.0079 + 979 SYS 327 TIP3 O1 C -0.834000 15.9994 + 980 SYS 327 TIP3 H1 A 0.417000 1.0079 + 981 SYS 327 TIP3 H2 A 0.417000 1.0079 + 982 SYS 328 TIP3 O1 C -0.834000 15.9994 + 983 SYS 328 TIP3 H1 A 0.417000 1.0079 + 984 SYS 328 TIP3 H2 A 0.417000 1.0079 + 985 SYS 329 TIP3 O1 C -0.834000 15.9994 + 986 SYS 329 TIP3 H1 A 0.417000 1.0079 + 987 SYS 329 TIP3 H2 A 0.417000 1.0079 + 988 SYS 330 TIP3 O1 C -0.834000 15.9994 + 989 SYS 330 TIP3 H1 A 0.417000 1.0079 + 990 SYS 330 TIP3 H2 A 0.417000 1.0079 + 991 SYS 331 TIP3 O1 C -0.834000 15.9994 + 992 SYS 331 TIP3 H1 A 0.417000 1.0079 + 993 SYS 331 TIP3 H2 A 0.417000 1.0079 + 994 SYS 332 TIP3 O1 C -0.834000 15.9994 + 995 SYS 332 TIP3 H1 A 0.417000 1.0079 + 996 SYS 332 TIP3 H2 A 0.417000 1.0079 + 997 SYS 333 TIP3 O1 C -0.834000 15.9994 + 998 SYS 333 TIP3 H1 A 0.417000 1.0079 + 999 SYS 333 TIP3 H2 A 0.417000 1.0079 + 1000 SYS 334 TIP3 O1 C -0.834000 15.9994 + 1001 SYS 334 TIP3 H1 A 0.417000 1.0079 + 1002 SYS 334 TIP3 H2 A 0.417000 1.0079 + 1003 SYS 335 TIP3 O1 C -0.834000 15.9994 + 1004 SYS 335 TIP3 H1 A 0.417000 1.0079 + 1005 SYS 335 TIP3 H2 A 0.417000 1.0079 + 1006 SYS 336 TIP3 O1 C -0.834000 15.9994 + 1007 SYS 336 TIP3 H1 A 0.417000 1.0079 + 1008 SYS 336 TIP3 H2 A 0.417000 1.0079 + 1009 SYS 337 TIP3 O1 C -0.834000 15.9994 + 1010 SYS 337 TIP3 H1 A 0.417000 1.0079 + 1011 SYS 337 TIP3 H2 A 0.417000 1.0079 + 1012 SYS 338 TIP3 O1 C -0.834000 15.9994 + 1013 SYS 338 TIP3 H1 A 0.417000 1.0079 + 1014 SYS 338 TIP3 H2 A 0.417000 1.0079 + 1015 SYS 339 TIP3 O1 C -0.834000 15.9994 + 1016 SYS 339 TIP3 H1 A 0.417000 1.0079 + 1017 SYS 339 TIP3 H2 A 0.417000 1.0079 + 1018 SYS 340 TIP3 O1 C -0.834000 15.9994 + 1019 SYS 340 TIP3 H1 A 0.417000 1.0079 + 1020 SYS 340 TIP3 H2 A 0.417000 1.0079 + 1021 SYS 341 TIP3 O1 C -0.834000 15.9994 + 1022 SYS 341 TIP3 H1 A 0.417000 1.0079 + 1023 SYS 341 TIP3 H2 A 0.417000 1.0079 + 1024 SYS 342 TIP3 O1 C -0.834000 15.9994 + 1025 SYS 342 TIP3 H1 A 0.417000 1.0079 + 1026 SYS 342 TIP3 H2 A 0.417000 1.0079 + 1027 SYS 343 TIP3 O1 C -0.834000 15.9994 + 1028 SYS 343 TIP3 H1 A 0.417000 1.0079 + 1029 SYS 343 TIP3 H2 A 0.417000 1.0079 + 1030 SYS 344 TIP3 O1 C -0.834000 15.9994 + 1031 SYS 344 TIP3 H1 A 0.417000 1.0079 + 1032 SYS 344 TIP3 H2 A 0.417000 1.0079 + 1033 SYS 345 TIP3 O1 C -0.834000 15.9994 + 1034 SYS 345 TIP3 H1 A 0.417000 1.0079 + 1035 SYS 345 TIP3 H2 A 0.417000 1.0079 + 1036 SYS 346 TIP3 O1 C -0.834000 15.9994 + 1037 SYS 346 TIP3 H1 A 0.417000 1.0079 + 1038 SYS 346 TIP3 H2 A 0.417000 1.0079 + 1039 SYS 347 TIP3 O1 C -0.834000 15.9994 + 1040 SYS 347 TIP3 H1 A 0.417000 1.0079 + 1041 SYS 347 TIP3 H2 A 0.417000 1.0079 + 1042 SYS 348 TIP3 O1 C -0.834000 15.9994 + 1043 SYS 348 TIP3 H1 A 0.417000 1.0079 + 1044 SYS 348 TIP3 H2 A 0.417000 1.0079 + 1045 SYS 349 TIP3 O1 C -0.834000 15.9994 + 1046 SYS 349 TIP3 H1 A 0.417000 1.0079 + 1047 SYS 349 TIP3 H2 A 0.417000 1.0079 + 1048 SYS 350 TIP3 O1 C -0.834000 15.9994 + 1049 SYS 350 TIP3 H1 A 0.417000 1.0079 + 1050 SYS 350 TIP3 H2 A 0.417000 1.0079 + 1051 SYS 351 TIP3 O1 C -0.834000 15.9994 + 1052 SYS 351 TIP3 H1 A 0.417000 1.0079 + 1053 SYS 351 TIP3 H2 A 0.417000 1.0079 + 1054 SYS 352 TIP3 O1 C -0.834000 15.9994 + 1055 SYS 352 TIP3 H1 A 0.417000 1.0079 + 1056 SYS 352 TIP3 H2 A 0.417000 1.0079 + 1057 SYS 353 TIP3 O1 C -0.834000 15.9994 + 1058 SYS 353 TIP3 H1 A 0.417000 1.0079 + 1059 SYS 353 TIP3 H2 A 0.417000 1.0079 + 1060 SYS 354 TIP3 O1 C -0.834000 15.9994 + 1061 SYS 354 TIP3 H1 A 0.417000 1.0079 + 1062 SYS 354 TIP3 H2 A 0.417000 1.0079 + 1063 SYS 355 TIP3 O1 C -0.834000 15.9994 + 1064 SYS 355 TIP3 H1 A 0.417000 1.0079 + 1065 SYS 355 TIP3 H2 A 0.417000 1.0079 + 1066 SYS 356 TIP3 O1 C -0.834000 15.9994 + 1067 SYS 356 TIP3 H1 A 0.417000 1.0079 + 1068 SYS 356 TIP3 H2 A 0.417000 1.0079 + 1069 SYS 357 TIP3 O1 C -0.834000 15.9994 + 1070 SYS 357 TIP3 H1 A 0.417000 1.0079 + 1071 SYS 357 TIP3 H2 A 0.417000 1.0079 + 1072 SYS 358 TIP3 O1 C -0.834000 15.9994 + 1073 SYS 358 TIP3 H1 A 0.417000 1.0079 + 1074 SYS 358 TIP3 H2 A 0.417000 1.0079 + 1075 SYS 359 TIP3 O1 C -0.834000 15.9994 + 1076 SYS 359 TIP3 H1 A 0.417000 1.0079 + 1077 SYS 359 TIP3 H2 A 0.417000 1.0079 + 1078 SYS 360 TIP3 O1 C -0.834000 15.9994 + 1079 SYS 360 TIP3 H1 A 0.417000 1.0079 + 1080 SYS 360 TIP3 H2 A 0.417000 1.0079 + 1081 SYS 361 TIP3 O1 C -0.834000 15.9994 + 1082 SYS 361 TIP3 H1 A 0.417000 1.0079 + 1083 SYS 361 TIP3 H2 A 0.417000 1.0079 + 1084 SYS 362 TIP3 O1 C -0.834000 15.9994 + 1085 SYS 362 TIP3 H1 A 0.417000 1.0079 + 1086 SYS 362 TIP3 H2 A 0.417000 1.0079 + 1087 SYS 363 TIP3 O1 C -0.834000 15.9994 + 1088 SYS 363 TIP3 H1 A 0.417000 1.0079 + 1089 SYS 363 TIP3 H2 A 0.417000 1.0079 + 1090 SYS 364 TIP3 O1 C -0.834000 15.9994 + 1091 SYS 364 TIP3 H1 A 0.417000 1.0079 + 1092 SYS 364 TIP3 H2 A 0.417000 1.0079 + 1093 SYS 365 TIP3 O1 C -0.834000 15.9994 + 1094 SYS 365 TIP3 H1 A 0.417000 1.0079 + 1095 SYS 365 TIP3 H2 A 0.417000 1.0079 + 1096 SYS 366 TIP3 O1 C -0.834000 15.9994 + 1097 SYS 366 TIP3 H1 A 0.417000 1.0079 + 1098 SYS 366 TIP3 H2 A 0.417000 1.0079 + 1099 SYS 367 TIP3 O1 C -0.834000 15.9994 + 1100 SYS 367 TIP3 H1 A 0.417000 1.0079 + 1101 SYS 367 TIP3 H2 A 0.417000 1.0079 + 1102 SYS 368 TIP3 O1 C -0.834000 15.9994 + 1103 SYS 368 TIP3 H1 A 0.417000 1.0079 + 1104 SYS 368 TIP3 H2 A 0.417000 1.0079 + 1105 SYS 369 TIP3 O1 C -0.834000 15.9994 + 1106 SYS 369 TIP3 H1 A 0.417000 1.0079 + 1107 SYS 369 TIP3 H2 A 0.417000 1.0079 + 1108 SYS 370 TIP3 O1 C -0.834000 15.9994 + 1109 SYS 370 TIP3 H1 A 0.417000 1.0079 + 1110 SYS 370 TIP3 H2 A 0.417000 1.0079 + 1111 SYS 371 TIP3 O1 C -0.834000 15.9994 + 1112 SYS 371 TIP3 H1 A 0.417000 1.0079 + 1113 SYS 371 TIP3 H2 A 0.417000 1.0079 + 1114 SYS 372 TIP3 O1 C -0.834000 15.9994 + 1115 SYS 372 TIP3 H1 A 0.417000 1.0079 + 1116 SYS 372 TIP3 H2 A 0.417000 1.0079 + 1117 SYS 373 TIP3 O1 C -0.834000 15.9994 + 1118 SYS 373 TIP3 H1 A 0.417000 1.0079 + 1119 SYS 373 TIP3 H2 A 0.417000 1.0079 + 1120 SYS 374 TIP3 O1 C -0.834000 15.9994 + 1121 SYS 374 TIP3 H1 A 0.417000 1.0079 + 1122 SYS 374 TIP3 H2 A 0.417000 1.0079 + 1123 SYS 375 TIP3 O1 C -0.834000 15.9994 + 1124 SYS 375 TIP3 H1 A 0.417000 1.0079 + 1125 SYS 375 TIP3 H2 A 0.417000 1.0079 + 1126 SYS 376 TIP3 O1 C -0.834000 15.9994 + 1127 SYS 376 TIP3 H1 A 0.417000 1.0079 + 1128 SYS 376 TIP3 H2 A 0.417000 1.0079 + 1129 SYS 377 TIP3 O1 C -0.834000 15.9994 + 1130 SYS 377 TIP3 H1 A 0.417000 1.0079 + 1131 SYS 377 TIP3 H2 A 0.417000 1.0079 + 1132 SYS 378 TIP3 O1 C -0.834000 15.9994 + 1133 SYS 378 TIP3 H1 A 0.417000 1.0079 + 1134 SYS 378 TIP3 H2 A 0.417000 1.0079 + 1135 SYS 379 TIP3 O1 C -0.834000 15.9994 + 1136 SYS 379 TIP3 H1 A 0.417000 1.0079 + 1137 SYS 379 TIP3 H2 A 0.417000 1.0079 + 1138 SYS 380 TIP3 O1 C -0.834000 15.9994 + 1139 SYS 380 TIP3 H1 A 0.417000 1.0079 + 1140 SYS 380 TIP3 H2 A 0.417000 1.0079 + 1141 SYS 381 TIP3 O1 C -0.834000 15.9994 + 1142 SYS 381 TIP3 H1 A 0.417000 1.0079 + 1143 SYS 381 TIP3 H2 A 0.417000 1.0079 + 1144 SYS 382 TIP3 O1 C -0.834000 15.9994 + 1145 SYS 382 TIP3 H1 A 0.417000 1.0079 + 1146 SYS 382 TIP3 H2 A 0.417000 1.0079 + 1147 SYS 383 TIP3 O1 C -0.834000 15.9994 + 1148 SYS 383 TIP3 H1 A 0.417000 1.0079 + 1149 SYS 383 TIP3 H2 A 0.417000 1.0079 + 1150 SYS 384 TIP3 O1 C -0.834000 15.9994 + 1151 SYS 384 TIP3 H1 A 0.417000 1.0079 + 1152 SYS 384 TIP3 H2 A 0.417000 1.0079 + 1153 SYS 385 TIP3 O1 C -0.834000 15.9994 + 1154 SYS 385 TIP3 H1 A 0.417000 1.0079 + 1155 SYS 385 TIP3 H2 A 0.417000 1.0079 + 1156 SYS 386 TIP3 O1 C -0.834000 15.9994 + 1157 SYS 386 TIP3 H1 A 0.417000 1.0079 + 1158 SYS 386 TIP3 H2 A 0.417000 1.0079 + 1159 SYS 387 TIP3 O1 C -0.834000 15.9994 + 1160 SYS 387 TIP3 H1 A 0.417000 1.0079 + 1161 SYS 387 TIP3 H2 A 0.417000 1.0079 + 1162 SYS 388 TIP3 O1 C -0.834000 15.9994 + 1163 SYS 388 TIP3 H1 A 0.417000 1.0079 + 1164 SYS 388 TIP3 H2 A 0.417000 1.0079 + 1165 SYS 389 TIP3 O1 C -0.834000 15.9994 + 1166 SYS 389 TIP3 H1 A 0.417000 1.0079 + 1167 SYS 389 TIP3 H2 A 0.417000 1.0079 + 1168 SYS 390 TIP3 O1 C -0.834000 15.9994 + 1169 SYS 390 TIP3 H1 A 0.417000 1.0079 + 1170 SYS 390 TIP3 H2 A 0.417000 1.0079 + 1171 SYS 391 TIP3 O1 C -0.834000 15.9994 + 1172 SYS 391 TIP3 H1 A 0.417000 1.0079 + 1173 SYS 391 TIP3 H2 A 0.417000 1.0079 + 1174 SYS 392 TIP3 O1 C -0.834000 15.9994 + 1175 SYS 392 TIP3 H1 A 0.417000 1.0079 + 1176 SYS 392 TIP3 H2 A 0.417000 1.0079 + 1177 SYS 393 TIP3 O1 C -0.834000 15.9994 + 1178 SYS 393 TIP3 H1 A 0.417000 1.0079 + 1179 SYS 393 TIP3 H2 A 0.417000 1.0079 + 1180 SYS 394 TIP3 O1 C -0.834000 15.9994 + 1181 SYS 394 TIP3 H1 A 0.417000 1.0079 + 1182 SYS 394 TIP3 H2 A 0.417000 1.0079 + 1183 SYS 395 TIP3 O1 C -0.834000 15.9994 + 1184 SYS 395 TIP3 H1 A 0.417000 1.0079 + 1185 SYS 395 TIP3 H2 A 0.417000 1.0079 + 1186 SYS 396 TIP3 O1 C -0.834000 15.9994 + 1187 SYS 396 TIP3 H1 A 0.417000 1.0079 + 1188 SYS 396 TIP3 H2 A 0.417000 1.0079 + 1189 SYS 397 TIP3 O1 C -0.834000 15.9994 + 1190 SYS 397 TIP3 H1 A 0.417000 1.0079 + 1191 SYS 397 TIP3 H2 A 0.417000 1.0079 + 1192 SYS 398 TIP3 O1 C -0.834000 15.9994 + 1193 SYS 398 TIP3 H1 A 0.417000 1.0079 + 1194 SYS 398 TIP3 H2 A 0.417000 1.0079 + 1195 SYS 399 TIP3 O1 C -0.834000 15.9994 + 1196 SYS 399 TIP3 H1 A 0.417000 1.0079 + 1197 SYS 399 TIP3 H2 A 0.417000 1.0079 + 1198 SYS 400 TIP3 O1 C -0.834000 15.9994 + 1199 SYS 400 TIP3 H1 A 0.417000 1.0079 + 1200 SYS 400 TIP3 H2 A 0.417000 1.0079 + 1201 SYS 401 TIP3 O1 C -0.834000 15.9994 + 1202 SYS 401 TIP3 H1 A 0.417000 1.0079 + 1203 SYS 401 TIP3 H2 A 0.417000 1.0079 + 1204 SYS 402 TIP3 O1 C -0.834000 15.9994 + 1205 SYS 402 TIP3 H1 A 0.417000 1.0079 + 1206 SYS 402 TIP3 H2 A 0.417000 1.0079 + 1207 SYS 403 TIP3 O1 C -0.834000 15.9994 + 1208 SYS 403 TIP3 H1 A 0.417000 1.0079 + 1209 SYS 403 TIP3 H2 A 0.417000 1.0079 + 1210 SYS 404 TIP3 O1 C -0.834000 15.9994 + 1211 SYS 404 TIP3 H1 A 0.417000 1.0079 + 1212 SYS 404 TIP3 H2 A 0.417000 1.0079 + 1213 SYS 405 TIP3 O1 C -0.834000 15.9994 + 1214 SYS 405 TIP3 H1 A 0.417000 1.0079 + 1215 SYS 405 TIP3 H2 A 0.417000 1.0079 + 1216 SYS 406 TIP3 O1 C -0.834000 15.9994 + 1217 SYS 406 TIP3 H1 A 0.417000 1.0079 + 1218 SYS 406 TIP3 H2 A 0.417000 1.0079 + 1219 SYS 407 TIP3 O1 C -0.834000 15.9994 + 1220 SYS 407 TIP3 H1 A 0.417000 1.0079 + 1221 SYS 407 TIP3 H2 A 0.417000 1.0079 + 1222 SYS 408 TIP3 O1 C -0.834000 15.9994 + 1223 SYS 408 TIP3 H1 A 0.417000 1.0079 + 1224 SYS 408 TIP3 H2 A 0.417000 1.0079 + 1225 SYS 409 TIP3 O1 C -0.834000 15.9994 + 1226 SYS 409 TIP3 H1 A 0.417000 1.0079 + 1227 SYS 409 TIP3 H2 A 0.417000 1.0079 + 1228 SYS 410 TIP3 O1 C -0.834000 15.9994 + 1229 SYS 410 TIP3 H1 A 0.417000 1.0079 + 1230 SYS 410 TIP3 H2 A 0.417000 1.0079 + 1231 SYS 411 TIP3 O1 C -0.834000 15.9994 + 1232 SYS 411 TIP3 H1 A 0.417000 1.0079 + 1233 SYS 411 TIP3 H2 A 0.417000 1.0079 + 1234 SYS 412 TIP3 O1 C -0.834000 15.9994 + 1235 SYS 412 TIP3 H1 A 0.417000 1.0079 + 1236 SYS 412 TIP3 H2 A 0.417000 1.0079 + 1237 SYS 413 TIP3 O1 C -0.834000 15.9994 + 1238 SYS 413 TIP3 H1 A 0.417000 1.0079 + 1239 SYS 413 TIP3 H2 A 0.417000 1.0079 + 1240 SYS 414 TIP3 O1 C -0.834000 15.9994 + 1241 SYS 414 TIP3 H1 A 0.417000 1.0079 + 1242 SYS 414 TIP3 H2 A 0.417000 1.0079 + 1243 SYS 415 TIP3 O1 C -0.834000 15.9994 + 1244 SYS 415 TIP3 H1 A 0.417000 1.0079 + 1245 SYS 415 TIP3 H2 A 0.417000 1.0079 + 1246 SYS 416 TIP3 O1 C -0.834000 15.9994 + 1247 SYS 416 TIP3 H1 A 0.417000 1.0079 + 1248 SYS 416 TIP3 H2 A 0.417000 1.0079 + 1249 SYS 417 TIP3 O1 C -0.834000 15.9994 + 1250 SYS 417 TIP3 H1 A 0.417000 1.0079 + 1251 SYS 417 TIP3 H2 A 0.417000 1.0079 + 1252 SYS 418 TIP3 O1 C -0.834000 15.9994 + 1253 SYS 418 TIP3 H1 A 0.417000 1.0079 + 1254 SYS 418 TIP3 H2 A 0.417000 1.0079 + 1255 SYS 419 TIP3 O1 C -0.834000 15.9994 + 1256 SYS 419 TIP3 H1 A 0.417000 1.0079 + 1257 SYS 419 TIP3 H2 A 0.417000 1.0079 + 1258 SYS 420 TIP3 O1 C -0.834000 15.9994 + 1259 SYS 420 TIP3 H1 A 0.417000 1.0079 + 1260 SYS 420 TIP3 H2 A 0.417000 1.0079 + 1261 SYS 421 TIP3 O1 C -0.834000 15.9994 + 1262 SYS 421 TIP3 H1 A 0.417000 1.0079 + 1263 SYS 421 TIP3 H2 A 0.417000 1.0079 + 1264 SYS 422 TIP3 O1 C -0.834000 15.9994 + 1265 SYS 422 TIP3 H1 A 0.417000 1.0079 + 1266 SYS 422 TIP3 H2 A 0.417000 1.0079 + 1267 SYS 423 TIP3 O1 C -0.834000 15.9994 + 1268 SYS 423 TIP3 H1 A 0.417000 1.0079 + 1269 SYS 423 TIP3 H2 A 0.417000 1.0079 + 1270 SYS 424 TIP3 O1 C -0.834000 15.9994 + 1271 SYS 424 TIP3 H1 A 0.417000 1.0079 + 1272 SYS 424 TIP3 H2 A 0.417000 1.0079 + 1273 SYS 425 TIP3 O1 C -0.834000 15.9994 + 1274 SYS 425 TIP3 H1 A 0.417000 1.0079 + 1275 SYS 425 TIP3 H2 A 0.417000 1.0079 + 1276 SYS 426 TIP3 O1 C -0.834000 15.9994 + 1277 SYS 426 TIP3 H1 A 0.417000 1.0079 + 1278 SYS 426 TIP3 H2 A 0.417000 1.0079 + 1279 SYS 427 TIP3 O1 C -0.834000 15.9994 + 1280 SYS 427 TIP3 H1 A 0.417000 1.0079 + 1281 SYS 427 TIP3 H2 A 0.417000 1.0079 + 1282 SYS 428 TIP3 O1 C -0.834000 15.9994 + 1283 SYS 428 TIP3 H1 A 0.417000 1.0079 + 1284 SYS 428 TIP3 H2 A 0.417000 1.0079 + 1285 SYS 429 TIP3 O1 C -0.834000 15.9994 + 1286 SYS 429 TIP3 H1 A 0.417000 1.0079 + 1287 SYS 429 TIP3 H2 A 0.417000 1.0079 + 1288 SYS 430 TIP3 O1 C -0.834000 15.9994 + 1289 SYS 430 TIP3 H1 A 0.417000 1.0079 + 1290 SYS 430 TIP3 H2 A 0.417000 1.0079 + 1291 SYS 431 TIP3 O1 C -0.834000 15.9994 + 1292 SYS 431 TIP3 H1 A 0.417000 1.0079 + 1293 SYS 431 TIP3 H2 A 0.417000 1.0079 + 1294 SYS 432 TIP3 O1 C -0.834000 15.9994 + 1295 SYS 432 TIP3 H1 A 0.417000 1.0079 + 1296 SYS 432 TIP3 H2 A 0.417000 1.0079 + 1297 SYS 433 TIP3 O1 C -0.834000 15.9994 + 1298 SYS 433 TIP3 H1 A 0.417000 1.0079 + 1299 SYS 433 TIP3 H2 A 0.417000 1.0079 + 1300 SYS 434 TIP3 O1 C -0.834000 15.9994 + 1301 SYS 434 TIP3 H1 A 0.417000 1.0079 + 1302 SYS 434 TIP3 H2 A 0.417000 1.0079 + 1303 SYS 435 TIP3 O1 C -0.834000 15.9994 + 1304 SYS 435 TIP3 H1 A 0.417000 1.0079 + 1305 SYS 435 TIP3 H2 A 0.417000 1.0079 + 1306 SYS 436 TIP3 O1 C -0.834000 15.9994 + 1307 SYS 436 TIP3 H1 A 0.417000 1.0079 + 1308 SYS 436 TIP3 H2 A 0.417000 1.0079 + 1309 SYS 437 TIP3 O1 C -0.834000 15.9994 + 1310 SYS 437 TIP3 H1 A 0.417000 1.0079 + 1311 SYS 437 TIP3 H2 A 0.417000 1.0079 + 1312 SYS 438 TIP3 O1 C -0.834000 15.9994 + 1313 SYS 438 TIP3 H1 A 0.417000 1.0079 + 1314 SYS 438 TIP3 H2 A 0.417000 1.0079 + 1315 SYS 439 TIP3 O1 C -0.834000 15.9994 + 1316 SYS 439 TIP3 H1 A 0.417000 1.0079 + 1317 SYS 439 TIP3 H2 A 0.417000 1.0079 + 1318 SYS 440 TIP3 O1 C -0.834000 15.9994 + 1319 SYS 440 TIP3 H1 A 0.417000 1.0079 + 1320 SYS 440 TIP3 H2 A 0.417000 1.0079 + 1321 SYS 441 TIP3 O1 C -0.834000 15.9994 + 1322 SYS 441 TIP3 H1 A 0.417000 1.0079 + 1323 SYS 441 TIP3 H2 A 0.417000 1.0079 + 1324 SYS 442 TIP3 O1 C -0.834000 15.9994 + 1325 SYS 442 TIP3 H1 A 0.417000 1.0079 + 1326 SYS 442 TIP3 H2 A 0.417000 1.0079 + 1327 SYS 443 TIP3 O1 C -0.834000 15.9994 + 1328 SYS 443 TIP3 H1 A 0.417000 1.0079 + 1329 SYS 443 TIP3 H2 A 0.417000 1.0079 + 1330 SYS 444 TIP3 O1 C -0.834000 15.9994 + 1331 SYS 444 TIP3 H1 A 0.417000 1.0079 + 1332 SYS 444 TIP3 H2 A 0.417000 1.0079 + 1333 SYS 445 TIP3 O1 C -0.834000 15.9994 + 1334 SYS 445 TIP3 H1 A 0.417000 1.0079 + 1335 SYS 445 TIP3 H2 A 0.417000 1.0079 + 1336 SYS 446 TIP3 O1 C -0.834000 15.9994 + 1337 SYS 446 TIP3 H1 A 0.417000 1.0079 + 1338 SYS 446 TIP3 H2 A 0.417000 1.0079 + 1339 SYS 447 TIP3 O1 C -0.834000 15.9994 + 1340 SYS 447 TIP3 H1 A 0.417000 1.0079 + 1341 SYS 447 TIP3 H2 A 0.417000 1.0079 + 1342 SYS 448 TIP3 O1 C -0.834000 15.9994 + 1343 SYS 448 TIP3 H1 A 0.417000 1.0079 + 1344 SYS 448 TIP3 H2 A 0.417000 1.0079 + 1345 SYS 449 TIP3 O1 C -0.834000 15.9994 + 1346 SYS 449 TIP3 H1 A 0.417000 1.0079 + 1347 SYS 449 TIP3 H2 A 0.417000 1.0079 + 1348 SYS 450 TIP3 O1 C -0.834000 15.9994 + 1349 SYS 450 TIP3 H1 A 0.417000 1.0079 + 1350 SYS 450 TIP3 H2 A 0.417000 1.0079 + 1351 SYS 451 TIP3 O1 C -0.834000 15.9994 + 1352 SYS 451 TIP3 H1 A 0.417000 1.0079 + 1353 SYS 451 TIP3 H2 A 0.417000 1.0079 + 1354 SYS 452 TIP3 O1 C -0.834000 15.9994 + 1355 SYS 452 TIP3 H1 A 0.417000 1.0079 + 1356 SYS 452 TIP3 H2 A 0.417000 1.0079 + 1357 SYS 453 TIP3 O1 C -0.834000 15.9994 + 1358 SYS 453 TIP3 H1 A 0.417000 1.0079 + 1359 SYS 453 TIP3 H2 A 0.417000 1.0079 + 1360 SYS 454 TIP3 O1 C -0.834000 15.9994 + 1361 SYS 454 TIP3 H1 A 0.417000 1.0079 + 1362 SYS 454 TIP3 H2 A 0.417000 1.0079 + 1363 SYS 455 TIP3 O1 C -0.834000 15.9994 + 1364 SYS 455 TIP3 H1 A 0.417000 1.0079 + 1365 SYS 455 TIP3 H2 A 0.417000 1.0079 + 1366 SYS 456 TIP3 O1 C -0.834000 15.9994 + 1367 SYS 456 TIP3 H1 A 0.417000 1.0079 + 1368 SYS 456 TIP3 H2 A 0.417000 1.0079 + 1369 SYS 457 TIP3 O1 C -0.834000 15.9994 + 1370 SYS 457 TIP3 H1 A 0.417000 1.0079 + 1371 SYS 457 TIP3 H2 A 0.417000 1.0079 + 1372 SYS 458 TIP3 O1 C -0.834000 15.9994 + 1373 SYS 458 TIP3 H1 A 0.417000 1.0079 + 1374 SYS 458 TIP3 H2 A 0.417000 1.0079 + 1375 SYS 459 TIP3 O1 C -0.834000 15.9994 + 1376 SYS 459 TIP3 H1 A 0.417000 1.0079 + 1377 SYS 459 TIP3 H2 A 0.417000 1.0079 + 1378 SYS 460 TIP3 O1 C -0.834000 15.9994 + 1379 SYS 460 TIP3 H1 A 0.417000 1.0079 + 1380 SYS 460 TIP3 H2 A 0.417000 1.0079 + 1381 SYS 461 TIP3 O1 C -0.834000 15.9994 + 1382 SYS 461 TIP3 H1 A 0.417000 1.0079 + 1383 SYS 461 TIP3 H2 A 0.417000 1.0079 + 1384 SYS 462 TIP3 O1 C -0.834000 15.9994 + 1385 SYS 462 TIP3 H1 A 0.417000 1.0079 + 1386 SYS 462 TIP3 H2 A 0.417000 1.0079 + 1387 SYS 463 TIP3 O1 C -0.834000 15.9994 + 1388 SYS 463 TIP3 H1 A 0.417000 1.0079 + 1389 SYS 463 TIP3 H2 A 0.417000 1.0079 + 1390 SYS 464 TIP3 O1 C -0.834000 15.9994 + 1391 SYS 464 TIP3 H1 A 0.417000 1.0079 + 1392 SYS 464 TIP3 H2 A 0.417000 1.0079 + 1393 SYS 465 TIP3 O1 C -0.834000 15.9994 + 1394 SYS 465 TIP3 H1 A 0.417000 1.0079 + 1395 SYS 465 TIP3 H2 A 0.417000 1.0079 + 1396 SYS 466 TIP3 O1 C -0.834000 15.9994 + 1397 SYS 466 TIP3 H1 A 0.417000 1.0079 + 1398 SYS 466 TIP3 H2 A 0.417000 1.0079 + 1399 SYS 467 TIP3 O1 C -0.834000 15.9994 + 1400 SYS 467 TIP3 H1 A 0.417000 1.0079 + 1401 SYS 467 TIP3 H2 A 0.417000 1.0079 + 1402 SYS 468 TIP3 O1 C -0.834000 15.9994 + 1403 SYS 468 TIP3 H1 A 0.417000 1.0079 + 1404 SYS 468 TIP3 H2 A 0.417000 1.0079 + 1405 SYS 469 TIP3 O1 C -0.834000 15.9994 + 1406 SYS 469 TIP3 H1 A 0.417000 1.0079 + 1407 SYS 469 TIP3 H2 A 0.417000 1.0079 + 1408 SYS 470 TIP3 O1 C -0.834000 15.9994 + 1409 SYS 470 TIP3 H1 A 0.417000 1.0079 + 1410 SYS 470 TIP3 H2 A 0.417000 1.0079 + 1411 SYS 471 TIP3 O1 C -0.834000 15.9994 + 1412 SYS 471 TIP3 H1 A 0.417000 1.0079 + 1413 SYS 471 TIP3 H2 A 0.417000 1.0079 + 1414 SYS 472 TIP3 O1 C -0.834000 15.9994 + 1415 SYS 472 TIP3 H1 A 0.417000 1.0079 + 1416 SYS 472 TIP3 H2 A 0.417000 1.0079 + 1417 SYS 473 TIP3 O1 C -0.834000 15.9994 + 1418 SYS 473 TIP3 H1 A 0.417000 1.0079 + 1419 SYS 473 TIP3 H2 A 0.417000 1.0079 + 1420 SYS 474 TIP3 O1 C -0.834000 15.9994 + 1421 SYS 474 TIP3 H1 A 0.417000 1.0079 + 1422 SYS 474 TIP3 H2 A 0.417000 1.0079 + 1423 SYS 475 TIP3 O1 C -0.834000 15.9994 + 1424 SYS 475 TIP3 H1 A 0.417000 1.0079 + 1425 SYS 475 TIP3 H2 A 0.417000 1.0079 + 1426 SYS 476 TIP3 O1 C -0.834000 15.9994 + 1427 SYS 476 TIP3 H1 A 0.417000 1.0079 + 1428 SYS 476 TIP3 H2 A 0.417000 1.0079 + 1429 SYS 477 TIP3 O1 C -0.834000 15.9994 + 1430 SYS 477 TIP3 H1 A 0.417000 1.0079 + 1431 SYS 477 TIP3 H2 A 0.417000 1.0079 + 1432 SYS 478 TIP3 O1 C -0.834000 15.9994 + 1433 SYS 478 TIP3 H1 A 0.417000 1.0079 + 1434 SYS 478 TIP3 H2 A 0.417000 1.0079 + 1435 SYS 479 TIP3 O1 C -0.834000 15.9994 + 1436 SYS 479 TIP3 H1 A 0.417000 1.0079 + 1437 SYS 479 TIP3 H2 A 0.417000 1.0079 + 1438 SYS 480 TIP3 O1 C -0.834000 15.9994 + 1439 SYS 480 TIP3 H1 A 0.417000 1.0079 + 1440 SYS 480 TIP3 H2 A 0.417000 1.0079 + 1441 SYS 481 TIP3 O1 C -0.834000 15.9994 + 1442 SYS 481 TIP3 H1 A 0.417000 1.0079 + 1443 SYS 481 TIP3 H2 A 0.417000 1.0079 + 1444 SYS 482 TIP3 O1 C -0.834000 15.9994 + 1445 SYS 482 TIP3 H1 A 0.417000 1.0079 + 1446 SYS 482 TIP3 H2 A 0.417000 1.0079 + 1447 SYS 483 TIP3 O1 C -0.834000 15.9994 + 1448 SYS 483 TIP3 H1 A 0.417000 1.0079 + 1449 SYS 483 TIP3 H2 A 0.417000 1.0079 + 1450 SYS 484 TIP3 O1 C -0.834000 15.9994 + 1451 SYS 484 TIP3 H1 A 0.417000 1.0079 + 1452 SYS 484 TIP3 H2 A 0.417000 1.0079 + 1453 SYS 485 TIP3 O1 C -0.834000 15.9994 + 1454 SYS 485 TIP3 H1 A 0.417000 1.0079 + 1455 SYS 485 TIP3 H2 A 0.417000 1.0079 + 1456 SYS 486 TIP3 O1 C -0.834000 15.9994 + 1457 SYS 486 TIP3 H1 A 0.417000 1.0079 + 1458 SYS 486 TIP3 H2 A 0.417000 1.0079 + 1459 SYS 487 TIP3 O1 C -0.834000 15.9994 + 1460 SYS 487 TIP3 H1 A 0.417000 1.0079 + 1461 SYS 487 TIP3 H2 A 0.417000 1.0079 + 1462 SYS 488 TIP3 O1 C -0.834000 15.9994 + 1463 SYS 488 TIP3 H1 A 0.417000 1.0079 + 1464 SYS 488 TIP3 H2 A 0.417000 1.0079 + 1465 SYS 489 TIP3 O1 C -0.834000 15.9994 + 1466 SYS 489 TIP3 H1 A 0.417000 1.0079 + 1467 SYS 489 TIP3 H2 A 0.417000 1.0079 + 1468 SYS 490 TIP3 O1 C -0.834000 15.9994 + 1469 SYS 490 TIP3 H1 A 0.417000 1.0079 + 1470 SYS 490 TIP3 H2 A 0.417000 1.0079 + 1471 SYS 491 TIP3 O1 C -0.834000 15.9994 + 1472 SYS 491 TIP3 H1 A 0.417000 1.0079 + 1473 SYS 491 TIP3 H2 A 0.417000 1.0079 + 1474 SYS 492 TIP3 O1 C -0.834000 15.9994 + 1475 SYS 492 TIP3 H1 A 0.417000 1.0079 + 1476 SYS 492 TIP3 H2 A 0.417000 1.0079 + 1477 SYS 493 TIP3 O1 C -0.834000 15.9994 + 1478 SYS 493 TIP3 H1 A 0.417000 1.0079 + 1479 SYS 493 TIP3 H2 A 0.417000 1.0079 + 1480 SYS 494 TIP3 O1 C -0.834000 15.9994 + 1481 SYS 494 TIP3 H1 A 0.417000 1.0079 + 1482 SYS 494 TIP3 H2 A 0.417000 1.0079 + 1483 SYS 495 TIP3 O1 C -0.834000 15.9994 + 1484 SYS 495 TIP3 H1 A 0.417000 1.0079 + 1485 SYS 495 TIP3 H2 A 0.417000 1.0079 + 1486 SYS 496 TIP3 O1 C -0.834000 15.9994 + 1487 SYS 496 TIP3 H1 A 0.417000 1.0079 + 1488 SYS 496 TIP3 H2 A 0.417000 1.0079 + 1489 SYS 497 TIP3 O1 C -0.834000 15.9994 + 1490 SYS 497 TIP3 H1 A 0.417000 1.0079 + 1491 SYS 497 TIP3 H2 A 0.417000 1.0079 + 1492 SYS 498 TIP3 O1 C -0.834000 15.9994 + 1493 SYS 498 TIP3 H1 A 0.417000 1.0079 + 1494 SYS 498 TIP3 H2 A 0.417000 1.0079 + 1495 SYS 499 TIP3 O1 C -0.834000 15.9994 + 1496 SYS 499 TIP3 H1 A 0.417000 1.0079 + 1497 SYS 499 TIP3 H2 A 0.417000 1.0079 + 1498 SYS 500 TIP3 O1 C -0.834000 15.9994 + 1499 SYS 500 TIP3 H1 A 0.417000 1.0079 + 1500 SYS 500 TIP3 H2 A 0.417000 1.0079 + 1501 SYS 501 TIP3 O1 C -0.834000 15.9994 + 1502 SYS 501 TIP3 H1 A 0.417000 1.0079 + 1503 SYS 501 TIP3 H2 A 0.417000 1.0079 + 1504 SYS 502 TIP3 O1 C -0.834000 15.9994 + 1505 SYS 502 TIP3 H1 A 0.417000 1.0079 + 1506 SYS 502 TIP3 H2 A 0.417000 1.0079 + 1507 SYS 503 TIP3 O1 C -0.834000 15.9994 + 1508 SYS 503 TIP3 H1 A 0.417000 1.0079 + 1509 SYS 503 TIP3 H2 A 0.417000 1.0079 + 1510 SYS 504 TIP3 O1 C -0.834000 15.9994 + 1511 SYS 504 TIP3 H1 A 0.417000 1.0079 + 1512 SYS 504 TIP3 H2 A 0.417000 1.0079 + 1513 SYS 505 TIP3 O1 C -0.834000 15.9994 + 1514 SYS 505 TIP3 H1 A 0.417000 1.0079 + 1515 SYS 505 TIP3 H2 A 0.417000 1.0079 + 1516 SYS 506 TIP3 O1 C -0.834000 15.9994 + 1517 SYS 506 TIP3 H1 A 0.417000 1.0079 + 1518 SYS 506 TIP3 H2 A 0.417000 1.0079 + 1519 SYS 507 TIP3 O1 C -0.834000 15.9994 + 1520 SYS 507 TIP3 H1 A 0.417000 1.0079 + 1521 SYS 507 TIP3 H2 A 0.417000 1.0079 + 1522 SYS 508 TIP3 O1 C -0.834000 15.9994 + 1523 SYS 508 TIP3 H1 A 0.417000 1.0079 + 1524 SYS 508 TIP3 H2 A 0.417000 1.0079 + 1525 SYS 509 TIP3 O1 C -0.834000 15.9994 + 1526 SYS 509 TIP3 H1 A 0.417000 1.0079 + 1527 SYS 509 TIP3 H2 A 0.417000 1.0079 + 1528 SYS 510 TIP3 O1 C -0.834000 15.9994 + 1529 SYS 510 TIP3 H1 A 0.417000 1.0079 + 1530 SYS 510 TIP3 H2 A 0.417000 1.0079 + 1531 SYS 511 TIP3 O1 C -0.834000 15.9994 + 1532 SYS 511 TIP3 H1 A 0.417000 1.0079 + 1533 SYS 511 TIP3 H2 A 0.417000 1.0079 + 1534 SYS 512 TIP3 O1 C -0.834000 15.9994 + 1535 SYS 512 TIP3 H1 A 0.417000 1.0079 + 1536 SYS 512 TIP3 H2 A 0.417000 1.0079 + 1537 SYS 513 TIP3 O1 C -0.834000 15.9994 + 1538 SYS 513 TIP3 H1 A 0.417000 1.0079 + 1539 SYS 513 TIP3 H2 A 0.417000 1.0079 + 1540 SYS 514 TIP3 O1 C -0.834000 15.9994 + 1541 SYS 514 TIP3 H1 A 0.417000 1.0079 + 1542 SYS 514 TIP3 H2 A 0.417000 1.0079 + 1543 SYS 515 TIP3 O1 C -0.834000 15.9994 + 1544 SYS 515 TIP3 H1 A 0.417000 1.0079 + 1545 SYS 515 TIP3 H2 A 0.417000 1.0079 + 1546 SYS 516 TIP3 O1 C -0.834000 15.9994 + 1547 SYS 516 TIP3 H1 A 0.417000 1.0079 + 1548 SYS 516 TIP3 H2 A 0.417000 1.0079 + 1549 SYS 517 TIP3 O1 C -0.834000 15.9994 + 1550 SYS 517 TIP3 H1 A 0.417000 1.0079 + 1551 SYS 517 TIP3 H2 A 0.417000 1.0079 + 1552 SYS 518 TIP3 O1 C -0.834000 15.9994 + 1553 SYS 518 TIP3 H1 A 0.417000 1.0079 + 1554 SYS 518 TIP3 H2 A 0.417000 1.0079 + 1555 SYS 519 TIP3 O1 C -0.834000 15.9994 + 1556 SYS 519 TIP3 H1 A 0.417000 1.0079 + 1557 SYS 519 TIP3 H2 A 0.417000 1.0079 + 1558 SYS 520 TIP3 O1 C -0.834000 15.9994 + 1559 SYS 520 TIP3 H1 A 0.417000 1.0079 + 1560 SYS 520 TIP3 H2 A 0.417000 1.0079 + 1561 SYS 521 TIP3 O1 C -0.834000 15.9994 + 1562 SYS 521 TIP3 H1 A 0.417000 1.0079 + 1563 SYS 521 TIP3 H2 A 0.417000 1.0079 + 1564 SYS 522 TIP3 O1 C -0.834000 15.9994 + 1565 SYS 522 TIP3 H1 A 0.417000 1.0079 + 1566 SYS 522 TIP3 H2 A 0.417000 1.0079 + 1567 SYS 523 TIP3 O1 C -0.834000 15.9994 + 1568 SYS 523 TIP3 H1 A 0.417000 1.0079 + 1569 SYS 523 TIP3 H2 A 0.417000 1.0079 + 1570 SYS 524 TIP3 O1 C -0.834000 15.9994 + 1571 SYS 524 TIP3 H1 A 0.417000 1.0079 + 1572 SYS 524 TIP3 H2 A 0.417000 1.0079 + 1573 SYS 525 TIP3 O1 C -0.834000 15.9994 + 1574 SYS 525 TIP3 H1 A 0.417000 1.0079 + 1575 SYS 525 TIP3 H2 A 0.417000 1.0079 + 1576 SYS 526 TIP3 O1 C -0.834000 15.9994 + 1577 SYS 526 TIP3 H1 A 0.417000 1.0079 + 1578 SYS 526 TIP3 H2 A 0.417000 1.0079 + 1579 SYS 527 TIP3 O1 C -0.834000 15.9994 + 1580 SYS 527 TIP3 H1 A 0.417000 1.0079 + 1581 SYS 527 TIP3 H2 A 0.417000 1.0079 + 1582 SYS 528 TIP3 O1 C -0.834000 15.9994 + 1583 SYS 528 TIP3 H1 A 0.417000 1.0079 + 1584 SYS 528 TIP3 H2 A 0.417000 1.0079 + 1585 SYS 529 TIP3 O1 C -0.834000 15.9994 + 1586 SYS 529 TIP3 H1 A 0.417000 1.0079 + 1587 SYS 529 TIP3 H2 A 0.417000 1.0079 + 1588 SYS 530 TIP3 O1 C -0.834000 15.9994 + 1589 SYS 530 TIP3 H1 A 0.417000 1.0079 + 1590 SYS 530 TIP3 H2 A 0.417000 1.0079 + 1591 SYS 531 TIP3 O1 C -0.834000 15.9994 + 1592 SYS 531 TIP3 H1 A 0.417000 1.0079 + 1593 SYS 531 TIP3 H2 A 0.417000 1.0079 + 1594 SYS 532 TIP3 O1 C -0.834000 15.9994 + 1595 SYS 532 TIP3 H1 A 0.417000 1.0079 + 1596 SYS 532 TIP3 H2 A 0.417000 1.0079 + 1597 SYS 533 TIP3 O1 C -0.834000 15.9994 + 1598 SYS 533 TIP3 H1 A 0.417000 1.0079 + 1599 SYS 533 TIP3 H2 A 0.417000 1.0079 + 1600 SYS 534 TIP3 O1 C -0.834000 15.9994 + 1601 SYS 534 TIP3 H1 A 0.417000 1.0079 + 1602 SYS 534 TIP3 H2 A 0.417000 1.0079 + 1603 SYS 535 TIP3 O1 C -0.834000 15.9994 + 1604 SYS 535 TIP3 H1 A 0.417000 1.0079 + 1605 SYS 535 TIP3 H2 A 0.417000 1.0079 + 1606 SYS 536 TIP3 O1 C -0.834000 15.9994 + 1607 SYS 536 TIP3 H1 A 0.417000 1.0079 + 1608 SYS 536 TIP3 H2 A 0.417000 1.0079 + 1609 SYS 537 TIP3 O1 C -0.834000 15.9994 + 1610 SYS 537 TIP3 H1 A 0.417000 1.0079 + 1611 SYS 537 TIP3 H2 A 0.417000 1.0079 + 1612 SYS 538 TIP3 O1 C -0.834000 15.9994 + 1613 SYS 538 TIP3 H1 A 0.417000 1.0079 + 1614 SYS 538 TIP3 H2 A 0.417000 1.0079 + 1615 SYS 539 TIP3 O1 C -0.834000 15.9994 + 1616 SYS 539 TIP3 H1 A 0.417000 1.0079 + 1617 SYS 539 TIP3 H2 A 0.417000 1.0079 + 1618 SYS 540 TIP3 O1 C -0.834000 15.9994 + 1619 SYS 540 TIP3 H1 A 0.417000 1.0079 + 1620 SYS 540 TIP3 H2 A 0.417000 1.0079 + 1621 SYS 541 TIP3 O1 C -0.834000 15.9994 + 1622 SYS 541 TIP3 H1 A 0.417000 1.0079 + 1623 SYS 541 TIP3 H2 A 0.417000 1.0079 + 1624 SYS 542 TIP3 O1 C -0.834000 15.9994 + 1625 SYS 542 TIP3 H1 A 0.417000 1.0079 + 1626 SYS 542 TIP3 H2 A 0.417000 1.0079 + 1627 SYS 543 TIP3 O1 C -0.834000 15.9994 + 1628 SYS 543 TIP3 H1 A 0.417000 1.0079 + 1629 SYS 543 TIP3 H2 A 0.417000 1.0079 + 1630 SYS 544 TIP3 O1 C -0.834000 15.9994 + 1631 SYS 544 TIP3 H1 A 0.417000 1.0079 + 1632 SYS 544 TIP3 H2 A 0.417000 1.0079 + 1633 SYS 545 TIP3 O1 C -0.834000 15.9994 + 1634 SYS 545 TIP3 H1 A 0.417000 1.0079 + 1635 SYS 545 TIP3 H2 A 0.417000 1.0079 + 1636 SYS 546 TIP3 O1 C -0.834000 15.9994 + 1637 SYS 546 TIP3 H1 A 0.417000 1.0079 + 1638 SYS 546 TIP3 H2 A 0.417000 1.0079 + 1639 SYS 547 TIP3 O1 C -0.834000 15.9994 + 1640 SYS 547 TIP3 H1 A 0.417000 1.0079 + 1641 SYS 547 TIP3 H2 A 0.417000 1.0079 + 1642 SYS 548 TIP3 O1 C -0.834000 15.9994 + 1643 SYS 548 TIP3 H1 A 0.417000 1.0079 + 1644 SYS 548 TIP3 H2 A 0.417000 1.0079 + 1645 SYS 549 TIP3 O1 C -0.834000 15.9994 + 1646 SYS 549 TIP3 H1 A 0.417000 1.0079 + 1647 SYS 549 TIP3 H2 A 0.417000 1.0079 + 1648 SYS 550 TIP3 O1 C -0.834000 15.9994 + 1649 SYS 550 TIP3 H1 A 0.417000 1.0079 + 1650 SYS 550 TIP3 H2 A 0.417000 1.0079 + 1651 SYS 551 TIP3 O1 C -0.834000 15.9994 + 1652 SYS 551 TIP3 H1 A 0.417000 1.0079 + 1653 SYS 551 TIP3 H2 A 0.417000 1.0079 + 1654 SYS 552 TIP3 O1 C -0.834000 15.9994 + 1655 SYS 552 TIP3 H1 A 0.417000 1.0079 + 1656 SYS 552 TIP3 H2 A 0.417000 1.0079 + 1657 SYS 553 TIP3 O1 C -0.834000 15.9994 + 1658 SYS 553 TIP3 H1 A 0.417000 1.0079 + 1659 SYS 553 TIP3 H2 A 0.417000 1.0079 + 1660 SYS 554 TIP3 O1 C -0.834000 15.9994 + 1661 SYS 554 TIP3 H1 A 0.417000 1.0079 + 1662 SYS 554 TIP3 H2 A 0.417000 1.0079 + 1663 SYS 555 TIP3 O1 C -0.834000 15.9994 + 1664 SYS 555 TIP3 H1 A 0.417000 1.0079 + 1665 SYS 555 TIP3 H2 A 0.417000 1.0079 + 1666 SYS 556 TIP3 O1 C -0.834000 15.9994 + 1667 SYS 556 TIP3 H1 A 0.417000 1.0079 + 1668 SYS 556 TIP3 H2 A 0.417000 1.0079 + 1669 SYS 557 TIP3 O1 C -0.834000 15.9994 + 1670 SYS 557 TIP3 H1 A 0.417000 1.0079 + 1671 SYS 557 TIP3 H2 A 0.417000 1.0079 + 1672 SYS 558 TIP3 O1 C -0.834000 15.9994 + 1673 SYS 558 TIP3 H1 A 0.417000 1.0079 + 1674 SYS 558 TIP3 H2 A 0.417000 1.0079 + 1675 SYS 559 TIP3 O1 C -0.834000 15.9994 + 1676 SYS 559 TIP3 H1 A 0.417000 1.0079 + 1677 SYS 559 TIP3 H2 A 0.417000 1.0079 + 1678 SYS 560 TIP3 O1 C -0.834000 15.9994 + 1679 SYS 560 TIP3 H1 A 0.417000 1.0079 + 1680 SYS 560 TIP3 H2 A 0.417000 1.0079 + 1681 SYS 561 TIP3 O1 C -0.834000 15.9994 + 1682 SYS 561 TIP3 H1 A 0.417000 1.0079 + 1683 SYS 561 TIP3 H2 A 0.417000 1.0079 + 1684 SYS 562 TIP3 O1 C -0.834000 15.9994 + 1685 SYS 562 TIP3 H1 A 0.417000 1.0079 + 1686 SYS 562 TIP3 H2 A 0.417000 1.0079 + 1687 SYS 563 TIP3 O1 C -0.834000 15.9994 + 1688 SYS 563 TIP3 H1 A 0.417000 1.0079 + 1689 SYS 563 TIP3 H2 A 0.417000 1.0079 + 1690 SYS 564 TIP3 O1 C -0.834000 15.9994 + 1691 SYS 564 TIP3 H1 A 0.417000 1.0079 + 1692 SYS 564 TIP3 H2 A 0.417000 1.0079 + 1693 SYS 565 TIP3 O1 C -0.834000 15.9994 + 1694 SYS 565 TIP3 H1 A 0.417000 1.0079 + 1695 SYS 565 TIP3 H2 A 0.417000 1.0079 + 1696 SYS 566 TIP3 O1 C -0.834000 15.9994 + 1697 SYS 566 TIP3 H1 A 0.417000 1.0079 + 1698 SYS 566 TIP3 H2 A 0.417000 1.0079 + 1699 SYS 567 TIP3 O1 C -0.834000 15.9994 + 1700 SYS 567 TIP3 H1 A 0.417000 1.0079 + 1701 SYS 567 TIP3 H2 A 0.417000 1.0079 + 1702 SYS 568 TIP3 O1 C -0.834000 15.9994 + 1703 SYS 568 TIP3 H1 A 0.417000 1.0079 + 1704 SYS 568 TIP3 H2 A 0.417000 1.0079 + 1705 SYS 569 TIP3 O1 C -0.834000 15.9994 + 1706 SYS 569 TIP3 H1 A 0.417000 1.0079 + 1707 SYS 569 TIP3 H2 A 0.417000 1.0079 + 1708 SYS 570 TIP3 O1 C -0.834000 15.9994 + 1709 SYS 570 TIP3 H1 A 0.417000 1.0079 + 1710 SYS 570 TIP3 H2 A 0.417000 1.0079 + 1711 SYS 571 TIP3 O1 C -0.834000 15.9994 + 1712 SYS 571 TIP3 H1 A 0.417000 1.0079 + 1713 SYS 571 TIP3 H2 A 0.417000 1.0079 + 1714 SYS 572 TIP3 O1 C -0.834000 15.9994 + 1715 SYS 572 TIP3 H1 A 0.417000 1.0079 + 1716 SYS 572 TIP3 H2 A 0.417000 1.0079 + 1717 SYS 573 TIP3 O1 C -0.834000 15.9994 + 1718 SYS 573 TIP3 H1 A 0.417000 1.0079 + 1719 SYS 573 TIP3 H2 A 0.417000 1.0079 + 1720 SYS 574 TIP3 O1 C -0.834000 15.9994 + 1721 SYS 574 TIP3 H1 A 0.417000 1.0079 + 1722 SYS 574 TIP3 H2 A 0.417000 1.0079 + 1723 SYS 575 TIP3 O1 C -0.834000 15.9994 + 1724 SYS 575 TIP3 H1 A 0.417000 1.0079 + 1725 SYS 575 TIP3 H2 A 0.417000 1.0079 + 1726 SYS 576 TIP3 O1 C -0.834000 15.9994 + 1727 SYS 576 TIP3 H1 A 0.417000 1.0079 + 1728 SYS 576 TIP3 H2 A 0.417000 1.0079 + 1729 SYS 577 TIP3 O1 C -0.834000 15.9994 + 1730 SYS 577 TIP3 H1 A 0.417000 1.0079 + 1731 SYS 577 TIP3 H2 A 0.417000 1.0079 + 1732 SYS 578 TIP3 O1 C -0.834000 15.9994 + 1733 SYS 578 TIP3 H1 A 0.417000 1.0079 + 1734 SYS 578 TIP3 H2 A 0.417000 1.0079 + 1735 SYS 579 TIP3 O1 C -0.834000 15.9994 + 1736 SYS 579 TIP3 H1 A 0.417000 1.0079 + 1737 SYS 579 TIP3 H2 A 0.417000 1.0079 + 1738 SYS 580 TIP3 O1 C -0.834000 15.9994 + 1739 SYS 580 TIP3 H1 A 0.417000 1.0079 + 1740 SYS 580 TIP3 H2 A 0.417000 1.0079 + 1741 SYS 581 TIP3 O1 C -0.834000 15.9994 + 1742 SYS 581 TIP3 H1 A 0.417000 1.0079 + 1743 SYS 581 TIP3 H2 A 0.417000 1.0079 + 1744 SYS 582 TIP3 O1 C -0.834000 15.9994 + 1745 SYS 582 TIP3 H1 A 0.417000 1.0079 + 1746 SYS 582 TIP3 H2 A 0.417000 1.0079 + 1747 SYS 583 TIP3 O1 C -0.834000 15.9994 + 1748 SYS 583 TIP3 H1 A 0.417000 1.0079 + 1749 SYS 583 TIP3 H2 A 0.417000 1.0079 + 1750 SYS 584 TIP3 O1 C -0.834000 15.9994 + 1751 SYS 584 TIP3 H1 A 0.417000 1.0079 + 1752 SYS 584 TIP3 H2 A 0.417000 1.0079 + 1753 SYS 585 TIP3 O1 C -0.834000 15.9994 + 1754 SYS 585 TIP3 H1 A 0.417000 1.0079 + 1755 SYS 585 TIP3 H2 A 0.417000 1.0079 + 1756 SYS 586 TIP3 O1 C -0.834000 15.9994 + 1757 SYS 586 TIP3 H1 A 0.417000 1.0079 + 1758 SYS 586 TIP3 H2 A 0.417000 1.0079 + 1759 SYS 587 TIP3 O1 C -0.834000 15.9994 + 1760 SYS 587 TIP3 H1 A 0.417000 1.0079 + 1761 SYS 587 TIP3 H2 A 0.417000 1.0079 + 1762 SYS 588 TIP3 O1 C -0.834000 15.9994 + 1763 SYS 588 TIP3 H1 A 0.417000 1.0079 + 1764 SYS 588 TIP3 H2 A 0.417000 1.0079 + 1765 SYS 589 TIP3 O1 C -0.834000 15.9994 + 1766 SYS 589 TIP3 H1 A 0.417000 1.0079 + 1767 SYS 589 TIP3 H2 A 0.417000 1.0079 + 1768 SYS 590 TIP3 O1 C -0.834000 15.9994 + 1769 SYS 590 TIP3 H1 A 0.417000 1.0079 + 1770 SYS 590 TIP3 H2 A 0.417000 1.0079 + 1771 SYS 591 TIP3 O1 C -0.834000 15.9994 + 1772 SYS 591 TIP3 H1 A 0.417000 1.0079 + 1773 SYS 591 TIP3 H2 A 0.417000 1.0079 + 1774 SYS 592 TIP3 O1 C -0.834000 15.9994 + 1775 SYS 592 TIP3 H1 A 0.417000 1.0079 + 1776 SYS 592 TIP3 H2 A 0.417000 1.0079 + 1777 SYS 593 TIP3 O1 C -0.834000 15.9994 + 1778 SYS 593 TIP3 H1 A 0.417000 1.0079 + 1779 SYS 593 TIP3 H2 A 0.417000 1.0079 + 1780 SYS 594 TIP3 O1 C -0.834000 15.9994 + 1781 SYS 594 TIP3 H1 A 0.417000 1.0079 + 1782 SYS 594 TIP3 H2 A 0.417000 1.0079 + 1783 SYS 595 TIP3 O1 C -0.834000 15.9994 + 1784 SYS 595 TIP3 H1 A 0.417000 1.0079 + 1785 SYS 595 TIP3 H2 A 0.417000 1.0079 + 1786 SYS 596 TIP3 O1 C -0.834000 15.9994 + 1787 SYS 596 TIP3 H1 A 0.417000 1.0079 + 1788 SYS 596 TIP3 H2 A 0.417000 1.0079 + 1789 SYS 597 TIP3 O1 C -0.834000 15.9994 + 1790 SYS 597 TIP3 H1 A 0.417000 1.0079 + 1791 SYS 597 TIP3 H2 A 0.417000 1.0079 + 1792 SYS 598 TIP3 O1 C -0.834000 15.9994 + 1793 SYS 598 TIP3 H1 A 0.417000 1.0079 + 1794 SYS 598 TIP3 H2 A 0.417000 1.0079 + 1795 SYS 599 TIP3 O1 C -0.834000 15.9994 + 1796 SYS 599 TIP3 H1 A 0.417000 1.0079 + 1797 SYS 599 TIP3 H2 A 0.417000 1.0079 + 1798 SYS 600 TIP3 O1 C -0.834000 15.9994 + 1799 SYS 600 TIP3 H1 A 0.417000 1.0079 + 1800 SYS 600 TIP3 H2 A 0.417000 1.0079 + 1801 SYS 601 TIP3 O1 C -0.834000 15.9994 + 1802 SYS 601 TIP3 H1 A 0.417000 1.0079 + 1803 SYS 601 TIP3 H2 A 0.417000 1.0079 + 1804 SYS 602 TIP3 O1 C -0.834000 15.9994 + 1805 SYS 602 TIP3 H1 A 0.417000 1.0079 + 1806 SYS 602 TIP3 H2 A 0.417000 1.0079 + 1807 SYS 603 TIP3 O1 C -0.834000 15.9994 + 1808 SYS 603 TIP3 H1 A 0.417000 1.0079 + 1809 SYS 603 TIP3 H2 A 0.417000 1.0079 + 1810 SYS 604 TIP3 O1 C -0.834000 15.9994 + 1811 SYS 604 TIP3 H1 A 0.417000 1.0079 + 1812 SYS 604 TIP3 H2 A 0.417000 1.0079 + 1813 SYS 605 TIP3 O1 C -0.834000 15.9994 + 1814 SYS 605 TIP3 H1 A 0.417000 1.0079 + 1815 SYS 605 TIP3 H2 A 0.417000 1.0079 + 1816 SYS 606 TIP3 O1 C -0.834000 15.9994 + 1817 SYS 606 TIP3 H1 A 0.417000 1.0079 + 1818 SYS 606 TIP3 H2 A 0.417000 1.0079 + 1819 SYS 607 TIP3 O1 C -0.834000 15.9994 + 1820 SYS 607 TIP3 H1 A 0.417000 1.0079 + 1821 SYS 607 TIP3 H2 A 0.417000 1.0079 + 1822 SYS 608 TIP3 O1 C -0.834000 15.9994 + 1823 SYS 608 TIP3 H1 A 0.417000 1.0079 + 1824 SYS 608 TIP3 H2 A 0.417000 1.0079 + 1825 SYS 609 TIP3 O1 C -0.834000 15.9994 + 1826 SYS 609 TIP3 H1 A 0.417000 1.0079 + 1827 SYS 609 TIP3 H2 A 0.417000 1.0079 + 1828 SYS 610 TIP3 O1 C -0.834000 15.9994 + 1829 SYS 610 TIP3 H1 A 0.417000 1.0079 + 1830 SYS 610 TIP3 H2 A 0.417000 1.0079 + 1831 SYS 611 TIP3 O1 C -0.834000 15.9994 + 1832 SYS 611 TIP3 H1 A 0.417000 1.0079 + 1833 SYS 611 TIP3 H2 A 0.417000 1.0079 + 1834 SYS 612 TIP3 O1 C -0.834000 15.9994 + 1835 SYS 612 TIP3 H1 A 0.417000 1.0079 + 1836 SYS 612 TIP3 H2 A 0.417000 1.0079 + 1837 SYS 613 TIP3 O1 C -0.834000 15.9994 + 1838 SYS 613 TIP3 H1 A 0.417000 1.0079 + 1839 SYS 613 TIP3 H2 A 0.417000 1.0079 + 1840 SYS 614 TIP3 O1 C -0.834000 15.9994 + 1841 SYS 614 TIP3 H1 A 0.417000 1.0079 + 1842 SYS 614 TIP3 H2 A 0.417000 1.0079 + 1843 SYS 615 TIP3 O1 C -0.834000 15.9994 + 1844 SYS 615 TIP3 H1 A 0.417000 1.0079 + 1845 SYS 615 TIP3 H2 A 0.417000 1.0079 + 1846 SYS 616 TIP3 O1 C -0.834000 15.9994 + 1847 SYS 616 TIP3 H1 A 0.417000 1.0079 + 1848 SYS 616 TIP3 H2 A 0.417000 1.0079 + 1849 SYS 617 TIP3 O1 C -0.834000 15.9994 + 1850 SYS 617 TIP3 H1 A 0.417000 1.0079 + 1851 SYS 617 TIP3 H2 A 0.417000 1.0079 + 1852 SYS 618 TIP3 O1 C -0.834000 15.9994 + 1853 SYS 618 TIP3 H1 A 0.417000 1.0079 + 1854 SYS 618 TIP3 H2 A 0.417000 1.0079 + 1855 SYS 619 TIP3 O1 C -0.834000 15.9994 + 1856 SYS 619 TIP3 H1 A 0.417000 1.0079 + 1857 SYS 619 TIP3 H2 A 0.417000 1.0079 + 1858 SYS 620 TIP3 O1 C -0.834000 15.9994 + 1859 SYS 620 TIP3 H1 A 0.417000 1.0079 + 1860 SYS 620 TIP3 H2 A 0.417000 1.0079 + 1861 SYS 621 TIP3 O1 C -0.834000 15.9994 + 1862 SYS 621 TIP3 H1 A 0.417000 1.0079 + 1863 SYS 621 TIP3 H2 A 0.417000 1.0079 + 1864 SYS 622 TIP3 O1 C -0.834000 15.9994 + 1865 SYS 622 TIP3 H1 A 0.417000 1.0079 + 1866 SYS 622 TIP3 H2 A 0.417000 1.0079 + 1867 SYS 623 TIP3 O1 C -0.834000 15.9994 + 1868 SYS 623 TIP3 H1 A 0.417000 1.0079 + 1869 SYS 623 TIP3 H2 A 0.417000 1.0079 + 1870 SYS 624 TIP3 O1 C -0.834000 15.9994 + 1871 SYS 624 TIP3 H1 A 0.417000 1.0079 + 1872 SYS 624 TIP3 H2 A 0.417000 1.0079 + 1873 SYS 625 TIP3 O1 C -0.834000 15.9994 + 1874 SYS 625 TIP3 H1 A 0.417000 1.0079 + 1875 SYS 625 TIP3 H2 A 0.417000 1.0079 + 1876 SYS 626 TIP3 O1 C -0.834000 15.9994 + 1877 SYS 626 TIP3 H1 A 0.417000 1.0079 + 1878 SYS 626 TIP3 H2 A 0.417000 1.0079 + 1879 SYS 627 TIP3 O1 C -0.834000 15.9994 + 1880 SYS 627 TIP3 H1 A 0.417000 1.0079 + 1881 SYS 627 TIP3 H2 A 0.417000 1.0079 + 1882 SYS 628 TIP3 O1 C -0.834000 15.9994 + 1883 SYS 628 TIP3 H1 A 0.417000 1.0079 + 1884 SYS 628 TIP3 H2 A 0.417000 1.0079 + 1885 SYS 629 TIP3 O1 C -0.834000 15.9994 + 1886 SYS 629 TIP3 H1 A 0.417000 1.0079 + 1887 SYS 629 TIP3 H2 A 0.417000 1.0079 + 1888 SYS 630 TIP3 O1 C -0.834000 15.9994 + 1889 SYS 630 TIP3 H1 A 0.417000 1.0079 + 1890 SYS 630 TIP3 H2 A 0.417000 1.0079 + 1891 SYS 631 TIP3 O1 C -0.834000 15.9994 + 1892 SYS 631 TIP3 H1 A 0.417000 1.0079 + 1893 SYS 631 TIP3 H2 A 0.417000 1.0079 + 1894 SYS 632 TIP3 O1 C -0.834000 15.9994 + 1895 SYS 632 TIP3 H1 A 0.417000 1.0079 + 1896 SYS 632 TIP3 H2 A 0.417000 1.0079 + 1897 SYS 633 TIP3 O1 C -0.834000 15.9994 + 1898 SYS 633 TIP3 H1 A 0.417000 1.0079 + 1899 SYS 633 TIP3 H2 A 0.417000 1.0079 + 1900 SYS 634 TIP3 O1 C -0.834000 15.9994 + 1901 SYS 634 TIP3 H1 A 0.417000 1.0079 + 1902 SYS 634 TIP3 H2 A 0.417000 1.0079 + 1903 SYS 635 TIP3 O1 C -0.834000 15.9994 + 1904 SYS 635 TIP3 H1 A 0.417000 1.0079 + 1905 SYS 635 TIP3 H2 A 0.417000 1.0079 + 1906 SYS 636 TIP3 O1 C -0.834000 15.9994 + 1907 SYS 636 TIP3 H1 A 0.417000 1.0079 + 1908 SYS 636 TIP3 H2 A 0.417000 1.0079 + 1909 SYS 637 TIP3 O1 C -0.834000 15.9994 + 1910 SYS 637 TIP3 H1 A 0.417000 1.0079 + 1911 SYS 637 TIP3 H2 A 0.417000 1.0079 + 1912 SYS 638 TIP3 O1 C -0.834000 15.9994 + 1913 SYS 638 TIP3 H1 A 0.417000 1.0079 + 1914 SYS 638 TIP3 H2 A 0.417000 1.0079 + 1915 SYS 639 TIP3 O1 C -0.834000 15.9994 + 1916 SYS 639 TIP3 H1 A 0.417000 1.0079 + 1917 SYS 639 TIP3 H2 A 0.417000 1.0079 + 1918 SYS 640 TIP3 O1 C -0.834000 15.9994 + 1919 SYS 640 TIP3 H1 A 0.417000 1.0079 + 1920 SYS 640 TIP3 H2 A 0.417000 1.0079 + 1921 SYS 641 TIP3 O1 C -0.834000 15.9994 + 1922 SYS 641 TIP3 H1 A 0.417000 1.0079 + 1923 SYS 641 TIP3 H2 A 0.417000 1.0079 + 1924 SYS 642 TIP3 O1 C -0.834000 15.9994 + 1925 SYS 642 TIP3 H1 A 0.417000 1.0079 + 1926 SYS 642 TIP3 H2 A 0.417000 1.0079 + 1927 SYS 643 TIP3 O1 C -0.834000 15.9994 + 1928 SYS 643 TIP3 H1 A 0.417000 1.0079 + 1929 SYS 643 TIP3 H2 A 0.417000 1.0079 + 1930 SYS 644 TIP3 O1 C -0.834000 15.9994 + 1931 SYS 644 TIP3 H1 A 0.417000 1.0079 + 1932 SYS 644 TIP3 H2 A 0.417000 1.0079 + 1933 SYS 645 TIP3 O1 C -0.834000 15.9994 + 1934 SYS 645 TIP3 H1 A 0.417000 1.0079 + 1935 SYS 645 TIP3 H2 A 0.417000 1.0079 + 1936 SYS 646 TIP3 O1 C -0.834000 15.9994 + 1937 SYS 646 TIP3 H1 A 0.417000 1.0079 + 1938 SYS 646 TIP3 H2 A 0.417000 1.0079 + 1939 SYS 647 TIP3 O1 C -0.834000 15.9994 + 1940 SYS 647 TIP3 H1 A 0.417000 1.0079 + 1941 SYS 647 TIP3 H2 A 0.417000 1.0079 + 1942 SYS 648 TIP3 O1 C -0.834000 15.9994 + 1943 SYS 648 TIP3 H1 A 0.417000 1.0079 + 1944 SYS 648 TIP3 H2 A 0.417000 1.0079 + 1945 SYS 649 TIP3 O1 C -0.834000 15.9994 + 1946 SYS 649 TIP3 H1 A 0.417000 1.0079 + 1947 SYS 649 TIP3 H2 A 0.417000 1.0079 + 1948 SYS 650 TIP3 O1 C -0.834000 15.9994 + 1949 SYS 650 TIP3 H1 A 0.417000 1.0079 + 1950 SYS 650 TIP3 H2 A 0.417000 1.0079 + 1951 SYS 651 TIP3 O1 C -0.834000 15.9994 + 1952 SYS 651 TIP3 H1 A 0.417000 1.0079 + 1953 SYS 651 TIP3 H2 A 0.417000 1.0079 + 1954 SYS 652 TIP3 O1 C -0.834000 15.9994 + 1955 SYS 652 TIP3 H1 A 0.417000 1.0079 + 1956 SYS 652 TIP3 H2 A 0.417000 1.0079 + 1957 SYS 653 TIP3 O1 C -0.834000 15.9994 + 1958 SYS 653 TIP3 H1 A 0.417000 1.0079 + 1959 SYS 653 TIP3 H2 A 0.417000 1.0079 + 1960 SYS 654 TIP3 O1 C -0.834000 15.9994 + 1961 SYS 654 TIP3 H1 A 0.417000 1.0079 + 1962 SYS 654 TIP3 H2 A 0.417000 1.0079 + 1963 SYS 655 TIP3 O1 C -0.834000 15.9994 + 1964 SYS 655 TIP3 H1 A 0.417000 1.0079 + 1965 SYS 655 TIP3 H2 A 0.417000 1.0079 + 1966 SYS 656 TIP3 O1 C -0.834000 15.9994 + 1967 SYS 656 TIP3 H1 A 0.417000 1.0079 + 1968 SYS 656 TIP3 H2 A 0.417000 1.0079 + 1969 SYS 657 TIP3 O1 C -0.834000 15.9994 + 1970 SYS 657 TIP3 H1 A 0.417000 1.0079 + 1971 SYS 657 TIP3 H2 A 0.417000 1.0079 + 1972 SYS 658 TIP3 O1 C -0.834000 15.9994 + 1973 SYS 658 TIP3 H1 A 0.417000 1.0079 + 1974 SYS 658 TIP3 H2 A 0.417000 1.0079 + 1975 SYS 659 TIP3 O1 C -0.834000 15.9994 + 1976 SYS 659 TIP3 H1 A 0.417000 1.0079 + 1977 SYS 659 TIP3 H2 A 0.417000 1.0079 + 1978 SYS 660 TIP3 O1 C -0.834000 15.9994 + 1979 SYS 660 TIP3 H1 A 0.417000 1.0079 + 1980 SYS 660 TIP3 H2 A 0.417000 1.0079 + 1981 SYS 661 TIP3 O1 C -0.834000 15.9994 + 1982 SYS 661 TIP3 H1 A 0.417000 1.0079 + 1983 SYS 661 TIP3 H2 A 0.417000 1.0079 + 1984 SYS 662 TIP3 O1 C -0.834000 15.9994 + 1985 SYS 662 TIP3 H1 A 0.417000 1.0079 + 1986 SYS 662 TIP3 H2 A 0.417000 1.0079 + 1987 SYS 663 TIP3 O1 C -0.834000 15.9994 + 1988 SYS 663 TIP3 H1 A 0.417000 1.0079 + 1989 SYS 663 TIP3 H2 A 0.417000 1.0079 + 1990 SYS 664 TIP3 O1 C -0.834000 15.9994 + 1991 SYS 664 TIP3 H1 A 0.417000 1.0079 + 1992 SYS 664 TIP3 H2 A 0.417000 1.0079 + 1993 SYS 665 TIP3 O1 C -0.834000 15.9994 + 1994 SYS 665 TIP3 H1 A 0.417000 1.0079 + 1995 SYS 665 TIP3 H2 A 0.417000 1.0079 + 1996 SYS 666 TIP3 O1 C -0.834000 15.9994 + 1997 SYS 666 TIP3 H1 A 0.417000 1.0079 + 1998 SYS 666 TIP3 H2 A 0.417000 1.0079 + 1999 SYS 667 TIP3 O1 C -0.834000 15.9994 + 2000 SYS 667 TIP3 H1 A 0.417000 1.0079 + 2001 SYS 667 TIP3 H2 A 0.417000 1.0079 + 2002 SYS 668 TIP3 O1 C -0.834000 15.9994 + 2003 SYS 668 TIP3 H1 A 0.417000 1.0079 + 2004 SYS 668 TIP3 H2 A 0.417000 1.0079 + 2005 SYS 669 TIP3 O1 C -0.834000 15.9994 + 2006 SYS 669 TIP3 H1 A 0.417000 1.0079 + 2007 SYS 669 TIP3 H2 A 0.417000 1.0079 + 2008 SYS 670 TIP3 O1 C -0.834000 15.9994 + 2009 SYS 670 TIP3 H1 A 0.417000 1.0079 + 2010 SYS 670 TIP3 H2 A 0.417000 1.0079 + 2011 SYS 671 TIP3 O1 C -0.834000 15.9994 + 2012 SYS 671 TIP3 H1 A 0.417000 1.0079 + 2013 SYS 671 TIP3 H2 A 0.417000 1.0079 + 2014 SYS 672 TIP3 O1 C -0.834000 15.9994 + 2015 SYS 672 TIP3 H1 A 0.417000 1.0079 + 2016 SYS 672 TIP3 H2 A 0.417000 1.0079 + 2017 SYS 673 TIP3 O1 C -0.834000 15.9994 + 2018 SYS 673 TIP3 H1 A 0.417000 1.0079 + 2019 SYS 673 TIP3 H2 A 0.417000 1.0079 + 2020 SYS 674 TIP3 O1 C -0.834000 15.9994 + 2021 SYS 674 TIP3 H1 A 0.417000 1.0079 + 2022 SYS 674 TIP3 H2 A 0.417000 1.0079 + 2023 SYS 675 TIP3 O1 C -0.834000 15.9994 + 2024 SYS 675 TIP3 H1 A 0.417000 1.0079 + 2025 SYS 675 TIP3 H2 A 0.417000 1.0079 + 2026 SYS 676 TIP3 O1 C -0.834000 15.9994 + 2027 SYS 676 TIP3 H1 A 0.417000 1.0079 + 2028 SYS 676 TIP3 H2 A 0.417000 1.0079 + 2029 SYS 677 TIP3 O1 C -0.834000 15.9994 + 2030 SYS 677 TIP3 H1 A 0.417000 1.0079 + 2031 SYS 677 TIP3 H2 A 0.417000 1.0079 + 2032 SYS 678 TIP3 O1 C -0.834000 15.9994 + 2033 SYS 678 TIP3 H1 A 0.417000 1.0079 + 2034 SYS 678 TIP3 H2 A 0.417000 1.0079 + 2035 SYS 679 TIP3 O1 C -0.834000 15.9994 + 2036 SYS 679 TIP3 H1 A 0.417000 1.0079 + 2037 SYS 679 TIP3 H2 A 0.417000 1.0079 + 2038 SYS 680 TIP3 O1 C -0.834000 15.9994 + 2039 SYS 680 TIP3 H1 A 0.417000 1.0079 + 2040 SYS 680 TIP3 H2 A 0.417000 1.0079 + 2041 SYS 681 TIP3 O1 C -0.834000 15.9994 + 2042 SYS 681 TIP3 H1 A 0.417000 1.0079 + 2043 SYS 681 TIP3 H2 A 0.417000 1.0079 + 2044 SYS 682 TIP3 O1 C -0.834000 15.9994 + 2045 SYS 682 TIP3 H1 A 0.417000 1.0079 + 2046 SYS 682 TIP3 H2 A 0.417000 1.0079 + 2047 SYS 683 TIP3 O1 C -0.834000 15.9994 + 2048 SYS 683 TIP3 H1 A 0.417000 1.0079 + 2049 SYS 683 TIP3 H2 A 0.417000 1.0079 + 2050 SYS 684 TIP3 O1 C -0.834000 15.9994 + 2051 SYS 684 TIP3 H1 A 0.417000 1.0079 + 2052 SYS 684 TIP3 H2 A 0.417000 1.0079 + 2053 SYS 685 TIP3 O1 C -0.834000 15.9994 + 2054 SYS 685 TIP3 H1 A 0.417000 1.0079 + 2055 SYS 685 TIP3 H2 A 0.417000 1.0079 + 2056 SYS 686 TIP3 O1 C -0.834000 15.9994 + 2057 SYS 686 TIP3 H1 A 0.417000 1.0079 + 2058 SYS 686 TIP3 H2 A 0.417000 1.0079 + 2059 SYS 687 TIP3 O1 C -0.834000 15.9994 + 2060 SYS 687 TIP3 H1 A 0.417000 1.0079 + 2061 SYS 687 TIP3 H2 A 0.417000 1.0079 + 2062 SYS 688 TIP3 O1 C -0.834000 15.9994 + 2063 SYS 688 TIP3 H1 A 0.417000 1.0079 + 2064 SYS 688 TIP3 H2 A 0.417000 1.0079 + 2065 SYS 689 TIP3 O1 C -0.834000 15.9994 + 2066 SYS 689 TIP3 H1 A 0.417000 1.0079 + 2067 SYS 689 TIP3 H2 A 0.417000 1.0079 + 2068 SYS 690 TIP3 O1 C -0.834000 15.9994 + 2069 SYS 690 TIP3 H1 A 0.417000 1.0079 + 2070 SYS 690 TIP3 H2 A 0.417000 1.0079 + 2071 SYS 691 TIP3 O1 C -0.834000 15.9994 + 2072 SYS 691 TIP3 H1 A 0.417000 1.0079 + 2073 SYS 691 TIP3 H2 A 0.417000 1.0079 + 2074 SYS 692 TIP3 O1 C -0.834000 15.9994 + 2075 SYS 692 TIP3 H1 A 0.417000 1.0079 + 2076 SYS 692 TIP3 H2 A 0.417000 1.0079 + 2077 SYS 693 TIP3 O1 C -0.834000 15.9994 + 2078 SYS 693 TIP3 H1 A 0.417000 1.0079 + 2079 SYS 693 TIP3 H2 A 0.417000 1.0079 + 2080 SYS 694 TIP3 O1 C -0.834000 15.9994 + 2081 SYS 694 TIP3 H1 A 0.417000 1.0079 + 2082 SYS 694 TIP3 H2 A 0.417000 1.0079 + 2083 SYS 695 TIP3 O1 C -0.834000 15.9994 + 2084 SYS 695 TIP3 H1 A 0.417000 1.0079 + 2085 SYS 695 TIP3 H2 A 0.417000 1.0079 + 2086 SYS 696 TIP3 O1 C -0.834000 15.9994 + 2087 SYS 696 TIP3 H1 A 0.417000 1.0079 + 2088 SYS 696 TIP3 H2 A 0.417000 1.0079 + 2089 SYS 697 TIP3 O1 C -0.834000 15.9994 + 2090 SYS 697 TIP3 H1 A 0.417000 1.0079 + 2091 SYS 697 TIP3 H2 A 0.417000 1.0079 + 2092 SYS 698 TIP3 O1 C -0.834000 15.9994 + 2093 SYS 698 TIP3 H1 A 0.417000 1.0079 + 2094 SYS 698 TIP3 H2 A 0.417000 1.0079 + 2095 SYS 699 TIP3 O1 C -0.834000 15.9994 + 2096 SYS 699 TIP3 H1 A 0.417000 1.0079 + 2097 SYS 699 TIP3 H2 A 0.417000 1.0079 + 2098 SYS 700 TIP3 O1 C -0.834000 15.9994 + 2099 SYS 700 TIP3 H1 A 0.417000 1.0079 + 2100 SYS 700 TIP3 H2 A 0.417000 1.0079 + 2101 SYS 701 TIP3 O1 C -0.834000 15.9994 + 2102 SYS 701 TIP3 H1 A 0.417000 1.0079 + 2103 SYS 701 TIP3 H2 A 0.417000 1.0079 + 2104 SYS 702 TIP3 O1 C -0.834000 15.9994 + 2105 SYS 702 TIP3 H1 A 0.417000 1.0079 + 2106 SYS 702 TIP3 H2 A 0.417000 1.0079 + 2107 SYS 703 TIP3 O1 C -0.834000 15.9994 + 2108 SYS 703 TIP3 H1 A 0.417000 1.0079 + 2109 SYS 703 TIP3 H2 A 0.417000 1.0079 + 2110 SYS 704 TIP3 O1 C -0.834000 15.9994 + 2111 SYS 704 TIP3 H1 A 0.417000 1.0079 + 2112 SYS 704 TIP3 H2 A 0.417000 1.0079 + 2113 SYS 705 TIP3 O1 C -0.834000 15.9994 + 2114 SYS 705 TIP3 H1 A 0.417000 1.0079 + 2115 SYS 705 TIP3 H2 A 0.417000 1.0079 + 2116 SYS 706 TIP3 O1 C -0.834000 15.9994 + 2117 SYS 706 TIP3 H1 A 0.417000 1.0079 + 2118 SYS 706 TIP3 H2 A 0.417000 1.0079 + 2119 SYS 707 TIP3 O1 C -0.834000 15.9994 + 2120 SYS 707 TIP3 H1 A 0.417000 1.0079 + 2121 SYS 707 TIP3 H2 A 0.417000 1.0079 + 2122 SYS 708 TIP3 O1 C -0.834000 15.9994 + 2123 SYS 708 TIP3 H1 A 0.417000 1.0079 + 2124 SYS 708 TIP3 H2 A 0.417000 1.0079 + 2125 SYS 709 TIP3 O1 C -0.834000 15.9994 + 2126 SYS 709 TIP3 H1 A 0.417000 1.0079 + 2127 SYS 709 TIP3 H2 A 0.417000 1.0079 + 2128 SYS 710 TIP3 O1 C -0.834000 15.9994 + 2129 SYS 710 TIP3 H1 A 0.417000 1.0079 + 2130 SYS 710 TIP3 H2 A 0.417000 1.0079 + 2131 SYS 711 TIP3 O1 C -0.834000 15.9994 + 2132 SYS 711 TIP3 H1 A 0.417000 1.0079 + 2133 SYS 711 TIP3 H2 A 0.417000 1.0079 + 2134 SYS 712 TIP3 O1 C -0.834000 15.9994 + 2135 SYS 712 TIP3 H1 A 0.417000 1.0079 + 2136 SYS 712 TIP3 H2 A 0.417000 1.0079 + 2137 SYS 713 TIP3 O1 C -0.834000 15.9994 + 2138 SYS 713 TIP3 H1 A 0.417000 1.0079 + 2139 SYS 713 TIP3 H2 A 0.417000 1.0079 + 2140 SYS 714 TIP3 O1 C -0.834000 15.9994 + 2141 SYS 714 TIP3 H1 A 0.417000 1.0079 + 2142 SYS 714 TIP3 H2 A 0.417000 1.0079 + 2143 SYS 715 TIP3 O1 C -0.834000 15.9994 + 2144 SYS 715 TIP3 H1 A 0.417000 1.0079 + 2145 SYS 715 TIP3 H2 A 0.417000 1.0079 + 2146 SYS 716 TIP3 O1 C -0.834000 15.9994 + 2147 SYS 716 TIP3 H1 A 0.417000 1.0079 + 2148 SYS 716 TIP3 H2 A 0.417000 1.0079 + 2149 SYS 717 TIP3 O1 C -0.834000 15.9994 + 2150 SYS 717 TIP3 H1 A 0.417000 1.0079 + 2151 SYS 717 TIP3 H2 A 0.417000 1.0079 + 2152 SYS 718 TIP3 O1 C -0.834000 15.9994 + 2153 SYS 718 TIP3 H1 A 0.417000 1.0079 + 2154 SYS 718 TIP3 H2 A 0.417000 1.0079 + 2155 SYS 719 TIP3 O1 C -0.834000 15.9994 + 2156 SYS 719 TIP3 H1 A 0.417000 1.0079 + 2157 SYS 719 TIP3 H2 A 0.417000 1.0079 + 2158 SYS 720 TIP3 O1 C -0.834000 15.9994 + 2159 SYS 720 TIP3 H1 A 0.417000 1.0079 + 2160 SYS 720 TIP3 H2 A 0.417000 1.0079 + 2161 SYS 721 TIP3 O1 C -0.834000 15.9994 + 2162 SYS 721 TIP3 H1 A 0.417000 1.0079 + 2163 SYS 721 TIP3 H2 A 0.417000 1.0079 + 2164 SYS 722 TIP3 O1 C -0.834000 15.9994 + 2165 SYS 722 TIP3 H1 A 0.417000 1.0079 + 2166 SYS 722 TIP3 H2 A 0.417000 1.0079 + 2167 SYS 723 TIP3 O1 C -0.834000 15.9994 + 2168 SYS 723 TIP3 H1 A 0.417000 1.0079 + 2169 SYS 723 TIP3 H2 A 0.417000 1.0079 + 2170 SYS 724 TIP3 O1 C -0.834000 15.9994 + 2171 SYS 724 TIP3 H1 A 0.417000 1.0079 + 2172 SYS 724 TIP3 H2 A 0.417000 1.0079 + 2173 SYS 725 TIP3 O1 C -0.834000 15.9994 + 2174 SYS 725 TIP3 H1 A 0.417000 1.0079 + 2175 SYS 725 TIP3 H2 A 0.417000 1.0079 + 2176 SYS 726 TIP3 O1 C -0.834000 15.9994 + 2177 SYS 726 TIP3 H1 A 0.417000 1.0079 + 2178 SYS 726 TIP3 H2 A 0.417000 1.0079 + 2179 SYS 727 TIP3 O1 C -0.834000 15.9994 + 2180 SYS 727 TIP3 H1 A 0.417000 1.0079 + 2181 SYS 727 TIP3 H2 A 0.417000 1.0079 + 2182 SYS 728 TIP3 O1 C -0.834000 15.9994 + 2183 SYS 728 TIP3 H1 A 0.417000 1.0079 + 2184 SYS 728 TIP3 H2 A 0.417000 1.0079 + 2185 SYS 729 TIP3 O1 C -0.834000 15.9994 + 2186 SYS 729 TIP3 H1 A 0.417000 1.0079 + 2187 SYS 729 TIP3 H2 A 0.417000 1.0079 + 2188 SYS 730 TIP3 O1 C -0.834000 15.9994 + 2189 SYS 730 TIP3 H1 A 0.417000 1.0079 + 2190 SYS 730 TIP3 H2 A 0.417000 1.0079 + 2191 SYS 731 TIP3 O1 C -0.834000 15.9994 + 2192 SYS 731 TIP3 H1 A 0.417000 1.0079 + 2193 SYS 731 TIP3 H2 A 0.417000 1.0079 + 2194 SYS 732 TIP3 O1 C -0.834000 15.9994 + 2195 SYS 732 TIP3 H1 A 0.417000 1.0079 + 2196 SYS 732 TIP3 H2 A 0.417000 1.0079 + 2197 SYS 733 TIP3 O1 C -0.834000 15.9994 + 2198 SYS 733 TIP3 H1 A 0.417000 1.0079 + 2199 SYS 733 TIP3 H2 A 0.417000 1.0079 + 2200 SYS 734 TIP3 O1 C -0.834000 15.9994 + 2201 SYS 734 TIP3 H1 A 0.417000 1.0079 + 2202 SYS 734 TIP3 H2 A 0.417000 1.0079 + 2203 SYS 735 TIP3 O1 C -0.834000 15.9994 + 2204 SYS 735 TIP3 H1 A 0.417000 1.0079 + 2205 SYS 735 TIP3 H2 A 0.417000 1.0079 + 2206 SYS 736 TIP3 O1 C -0.834000 15.9994 + 2207 SYS 736 TIP3 H1 A 0.417000 1.0079 + 2208 SYS 736 TIP3 H2 A 0.417000 1.0079 + 2209 SYS 737 TIP3 O1 C -0.834000 15.9994 + 2210 SYS 737 TIP3 H1 A 0.417000 1.0079 + 2211 SYS 737 TIP3 H2 A 0.417000 1.0079 + 2212 SYS 738 TIP3 O1 C -0.834000 15.9994 + 2213 SYS 738 TIP3 H1 A 0.417000 1.0079 + 2214 SYS 738 TIP3 H2 A 0.417000 1.0079 + 2215 SYS 739 TIP3 O1 C -0.834000 15.9994 + 2216 SYS 739 TIP3 H1 A 0.417000 1.0079 + 2217 SYS 739 TIP3 H2 A 0.417000 1.0079 + 2218 SYS 740 TIP3 O1 C -0.834000 15.9994 + 2219 SYS 740 TIP3 H1 A 0.417000 1.0079 + 2220 SYS 740 TIP3 H2 A 0.417000 1.0079 + 2221 SYS 741 TIP3 O1 C -0.834000 15.9994 + 2222 SYS 741 TIP3 H1 A 0.417000 1.0079 + 2223 SYS 741 TIP3 H2 A 0.417000 1.0079 + 2224 SYS 742 TIP3 O1 C -0.834000 15.9994 + 2225 SYS 742 TIP3 H1 A 0.417000 1.0079 + 2226 SYS 742 TIP3 H2 A 0.417000 1.0079 + 2227 SYS 743 TIP3 O1 C -0.834000 15.9994 + 2228 SYS 743 TIP3 H1 A 0.417000 1.0079 + 2229 SYS 743 TIP3 H2 A 0.417000 1.0079 + 2230 SYS 744 TIP3 O1 C -0.834000 15.9994 + 2231 SYS 744 TIP3 H1 A 0.417000 1.0079 + 2232 SYS 744 TIP3 H2 A 0.417000 1.0079 + 2233 SYS 745 TIP3 O1 C -0.834000 15.9994 + 2234 SYS 745 TIP3 H1 A 0.417000 1.0079 + 2235 SYS 745 TIP3 H2 A 0.417000 1.0079 + 2236 SYS 746 TIP3 O1 C -0.834000 15.9994 + 2237 SYS 746 TIP3 H1 A 0.417000 1.0079 + 2238 SYS 746 TIP3 H2 A 0.417000 1.0079 + 2239 SYS 747 TIP3 O1 C -0.834000 15.9994 + 2240 SYS 747 TIP3 H1 A 0.417000 1.0079 + 2241 SYS 747 TIP3 H2 A 0.417000 1.0079 + 2242 SYS 748 TIP3 O1 C -0.834000 15.9994 + 2243 SYS 748 TIP3 H1 A 0.417000 1.0079 + 2244 SYS 748 TIP3 H2 A 0.417000 1.0079 + 2245 SYS 749 TIP3 O1 C -0.834000 15.9994 + 2246 SYS 749 TIP3 H1 A 0.417000 1.0079 + 2247 SYS 749 TIP3 H2 A 0.417000 1.0079 + 2248 SYS 750 TIP3 O1 C -0.834000 15.9994 + 2249 SYS 750 TIP3 H1 A 0.417000 1.0079 + 2250 SYS 750 TIP3 H2 A 0.417000 1.0079 + 2251 SYS 751 TIP3 O1 C -0.834000 15.9994 + 2252 SYS 751 TIP3 H1 A 0.417000 1.0079 + 2253 SYS 751 TIP3 H2 A 0.417000 1.0079 + 2254 SYS 752 TIP3 O1 C -0.834000 15.9994 + 2255 SYS 752 TIP3 H1 A 0.417000 1.0079 + 2256 SYS 752 TIP3 H2 A 0.417000 1.0079 + 2257 SYS 753 TIP3 O1 C -0.834000 15.9994 + 2258 SYS 753 TIP3 H1 A 0.417000 1.0079 + 2259 SYS 753 TIP3 H2 A 0.417000 1.0079 + 2260 SYS 754 TIP3 O1 C -0.834000 15.9994 + 2261 SYS 754 TIP3 H1 A 0.417000 1.0079 + 2262 SYS 754 TIP3 H2 A 0.417000 1.0079 + 2263 SYS 755 TIP3 O1 C -0.834000 15.9994 + 2264 SYS 755 TIP3 H1 A 0.417000 1.0079 + 2265 SYS 755 TIP3 H2 A 0.417000 1.0079 + 2266 SYS 756 TIP3 O1 C -0.834000 15.9994 + 2267 SYS 756 TIP3 H1 A 0.417000 1.0079 + 2268 SYS 756 TIP3 H2 A 0.417000 1.0079 + 2269 SYS 757 TIP3 O1 C -0.834000 15.9994 + 2270 SYS 757 TIP3 H1 A 0.417000 1.0079 + 2271 SYS 757 TIP3 H2 A 0.417000 1.0079 + 2272 SYS 758 TIP3 O1 C -0.834000 15.9994 + 2273 SYS 758 TIP3 H1 A 0.417000 1.0079 + 2274 SYS 758 TIP3 H2 A 0.417000 1.0079 + 2275 SYS 759 TIP3 O1 C -0.834000 15.9994 + 2276 SYS 759 TIP3 H1 A 0.417000 1.0079 + 2277 SYS 759 TIP3 H2 A 0.417000 1.0079 + 2278 SYS 760 TIP3 O1 C -0.834000 15.9994 + 2279 SYS 760 TIP3 H1 A 0.417000 1.0079 + 2280 SYS 760 TIP3 H2 A 0.417000 1.0079 + 2281 SYS 761 TIP3 O1 C -0.834000 15.9994 + 2282 SYS 761 TIP3 H1 A 0.417000 1.0079 + 2283 SYS 761 TIP3 H2 A 0.417000 1.0079 + 2284 SYS 762 TIP3 O1 C -0.834000 15.9994 + 2285 SYS 762 TIP3 H1 A 0.417000 1.0079 + 2286 SYS 762 TIP3 H2 A 0.417000 1.0079 + 2287 SYS 763 TIP3 O1 C -0.834000 15.9994 + 2288 SYS 763 TIP3 H1 A 0.417000 1.0079 + 2289 SYS 763 TIP3 H2 A 0.417000 1.0079 + 2290 SYS 764 TIP3 O1 C -0.834000 15.9994 + 2291 SYS 764 TIP3 H1 A 0.417000 1.0079 + 2292 SYS 764 TIP3 H2 A 0.417000 1.0079 + 2293 SYS 765 TIP3 O1 C -0.834000 15.9994 + 2294 SYS 765 TIP3 H1 A 0.417000 1.0079 + 2295 SYS 765 TIP3 H2 A 0.417000 1.0079 + 2296 SYS 766 TIP3 O1 C -0.834000 15.9994 + 2297 SYS 766 TIP3 H1 A 0.417000 1.0079 + 2298 SYS 766 TIP3 H2 A 0.417000 1.0079 + 2299 SYS 767 TIP3 O1 C -0.834000 15.9994 + 2300 SYS 767 TIP3 H1 A 0.417000 1.0079 + 2301 SYS 767 TIP3 H2 A 0.417000 1.0079 + 2302 SYS 768 TIP3 O1 C -0.834000 15.9994 + 2303 SYS 768 TIP3 H1 A 0.417000 1.0079 + 2304 SYS 768 TIP3 H2 A 0.417000 1.0079 + 2305 SYS 769 TIP3 O1 C -0.834000 15.9994 + 2306 SYS 769 TIP3 H1 A 0.417000 1.0079 + 2307 SYS 769 TIP3 H2 A 0.417000 1.0079 + 2308 SYS 770 TIP3 O1 C -0.834000 15.9994 + 2309 SYS 770 TIP3 H1 A 0.417000 1.0079 + 2310 SYS 770 TIP3 H2 A 0.417000 1.0079 + 2311 SYS 771 TIP3 O1 C -0.834000 15.9994 + 2312 SYS 771 TIP3 H1 A 0.417000 1.0079 + 2313 SYS 771 TIP3 H2 A 0.417000 1.0079 + 2314 SYS 772 TIP3 O1 C -0.834000 15.9994 + 2315 SYS 772 TIP3 H1 A 0.417000 1.0079 + 2316 SYS 772 TIP3 H2 A 0.417000 1.0079 + 2317 SYS 773 TIP3 O1 C -0.834000 15.9994 + 2318 SYS 773 TIP3 H1 A 0.417000 1.0079 + 2319 SYS 773 TIP3 H2 A 0.417000 1.0079 + 2320 SYS 774 TIP3 O1 C -0.834000 15.9994 + 2321 SYS 774 TIP3 H1 A 0.417000 1.0079 + 2322 SYS 774 TIP3 H2 A 0.417000 1.0079 + 2323 SYS 775 TIP3 O1 C -0.834000 15.9994 + 2324 SYS 775 TIP3 H1 A 0.417000 1.0079 + 2325 SYS 775 TIP3 H2 A 0.417000 1.0079 + 2326 SYS 776 TIP3 O1 C -0.834000 15.9994 + 2327 SYS 776 TIP3 H1 A 0.417000 1.0079 + 2328 SYS 776 TIP3 H2 A 0.417000 1.0079 + 2329 SYS 777 TIP3 O1 C -0.834000 15.9994 + 2330 SYS 777 TIP3 H1 A 0.417000 1.0079 + 2331 SYS 777 TIP3 H2 A 0.417000 1.0079 + 2332 SYS 778 TIP3 O1 C -0.834000 15.9994 + 2333 SYS 778 TIP3 H1 A 0.417000 1.0079 + 2334 SYS 778 TIP3 H2 A 0.417000 1.0079 + 2335 SYS 779 TIP3 O1 C -0.834000 15.9994 + 2336 SYS 779 TIP3 H1 A 0.417000 1.0079 + 2337 SYS 779 TIP3 H2 A 0.417000 1.0079 + 2338 SYS 780 TIP3 O1 C -0.834000 15.9994 + 2339 SYS 780 TIP3 H1 A 0.417000 1.0079 + 2340 SYS 780 TIP3 H2 A 0.417000 1.0079 + 2341 SYS 781 TIP3 O1 C -0.834000 15.9994 + 2342 SYS 781 TIP3 H1 A 0.417000 1.0079 + 2343 SYS 781 TIP3 H2 A 0.417000 1.0079 + 2344 SYS 782 TIP3 O1 C -0.834000 15.9994 + 2345 SYS 782 TIP3 H1 A 0.417000 1.0079 + 2346 SYS 782 TIP3 H2 A 0.417000 1.0079 + 2347 SYS 783 TIP3 O1 C -0.834000 15.9994 + 2348 SYS 783 TIP3 H1 A 0.417000 1.0079 + 2349 SYS 783 TIP3 H2 A 0.417000 1.0079 + 2350 SYS 784 TIP3 O1 C -0.834000 15.9994 + 2351 SYS 784 TIP3 H1 A 0.417000 1.0079 + 2352 SYS 784 TIP3 H2 A 0.417000 1.0079 + 2353 SYS 785 TIP3 O1 C -0.834000 15.9994 + 2354 SYS 785 TIP3 H1 A 0.417000 1.0079 + 2355 SYS 785 TIP3 H2 A 0.417000 1.0079 + 2356 SYS 786 TIP3 O1 C -0.834000 15.9994 + 2357 SYS 786 TIP3 H1 A 0.417000 1.0079 + 2358 SYS 786 TIP3 H2 A 0.417000 1.0079 + 2359 SYS 787 TIP3 O1 C -0.834000 15.9994 + 2360 SYS 787 TIP3 H1 A 0.417000 1.0079 + 2361 SYS 787 TIP3 H2 A 0.417000 1.0079 + 2362 SYS 788 TIP3 O1 C -0.834000 15.9994 + 2363 SYS 788 TIP3 H1 A 0.417000 1.0079 + 2364 SYS 788 TIP3 H2 A 0.417000 1.0079 + 2365 SYS 789 TIP3 O1 C -0.834000 15.9994 + 2366 SYS 789 TIP3 H1 A 0.417000 1.0079 + 2367 SYS 789 TIP3 H2 A 0.417000 1.0079 + 2368 SYS 790 TIP3 O1 C -0.834000 15.9994 + 2369 SYS 790 TIP3 H1 A 0.417000 1.0079 + 2370 SYS 790 TIP3 H2 A 0.417000 1.0079 + 2371 SYS 791 TIP3 O1 C -0.834000 15.9994 + 2372 SYS 791 TIP3 H1 A 0.417000 1.0079 + 2373 SYS 791 TIP3 H2 A 0.417000 1.0079 + 2374 SYS 792 TIP3 O1 C -0.834000 15.9994 + 2375 SYS 792 TIP3 H1 A 0.417000 1.0079 + 2376 SYS 792 TIP3 H2 A 0.417000 1.0079 + 2377 SYS 793 TIP3 O1 C -0.834000 15.9994 + 2378 SYS 793 TIP3 H1 A 0.417000 1.0079 + 2379 SYS 793 TIP3 H2 A 0.417000 1.0079 + 2380 SYS 794 TIP3 O1 C -0.834000 15.9994 + 2381 SYS 794 TIP3 H1 A 0.417000 1.0079 + 2382 SYS 794 TIP3 H2 A 0.417000 1.0079 + 2383 SYS 795 TIP3 O1 C -0.834000 15.9994 + 2384 SYS 795 TIP3 H1 A 0.417000 1.0079 + 2385 SYS 795 TIP3 H2 A 0.417000 1.0079 + 2386 SYS 796 TIP3 O1 C -0.834000 15.9994 + 2387 SYS 796 TIP3 H1 A 0.417000 1.0079 + 2388 SYS 796 TIP3 H2 A 0.417000 1.0079 + 2389 SYS 797 TIP3 O1 C -0.834000 15.9994 + 2390 SYS 797 TIP3 H1 A 0.417000 1.0079 + 2391 SYS 797 TIP3 H2 A 0.417000 1.0079 + 2392 SYS 798 TIP3 O1 C -0.834000 15.9994 + 2393 SYS 798 TIP3 H1 A 0.417000 1.0079 + 2394 SYS 798 TIP3 H2 A 0.417000 1.0079 + 2395 SYS 799 TIP3 O1 C -0.834000 15.9994 + 2396 SYS 799 TIP3 H1 A 0.417000 1.0079 + 2397 SYS 799 TIP3 H2 A 0.417000 1.0079 + 2398 SYS 800 TIP3 O1 C -0.834000 15.9994 + 2399 SYS 800 TIP3 H1 A 0.417000 1.0079 + 2400 SYS 800 TIP3 H2 A 0.417000 1.0079 + 2401 SYS 801 TIP3 O1 C -0.834000 15.9994 + 2402 SYS 801 TIP3 H1 A 0.417000 1.0079 + 2403 SYS 801 TIP3 H2 A 0.417000 1.0079 + 2404 SYS 802 TIP3 O1 C -0.834000 15.9994 + 2405 SYS 802 TIP3 H1 A 0.417000 1.0079 + 2406 SYS 802 TIP3 H2 A 0.417000 1.0079 + 2407 SYS 803 TIP3 O1 C -0.834000 15.9994 + 2408 SYS 803 TIP3 H1 A 0.417000 1.0079 + 2409 SYS 803 TIP3 H2 A 0.417000 1.0079 + 2410 SYS 804 TIP3 O1 C -0.834000 15.9994 + 2411 SYS 804 TIP3 H1 A 0.417000 1.0079 + 2412 SYS 804 TIP3 H2 A 0.417000 1.0079 + 2413 SYS 805 TIP3 O1 C -0.834000 15.9994 + 2414 SYS 805 TIP3 H1 A 0.417000 1.0079 + 2415 SYS 805 TIP3 H2 A 0.417000 1.0079 + 2416 SYS 806 TIP3 O1 C -0.834000 15.9994 + 2417 SYS 806 TIP3 H1 A 0.417000 1.0079 + 2418 SYS 806 TIP3 H2 A 0.417000 1.0079 + 2419 SYS 807 TIP3 O1 C -0.834000 15.9994 + 2420 SYS 807 TIP3 H1 A 0.417000 1.0079 + 2421 SYS 807 TIP3 H2 A 0.417000 1.0079 + 2422 SYS 808 TIP3 O1 C -0.834000 15.9994 + 2423 SYS 808 TIP3 H1 A 0.417000 1.0079 + 2424 SYS 808 TIP3 H2 A 0.417000 1.0079 + 2425 SYS 809 TIP3 O1 C -0.834000 15.9994 + 2426 SYS 809 TIP3 H1 A 0.417000 1.0079 + 2427 SYS 809 TIP3 H2 A 0.417000 1.0079 + 2428 SYS 810 TIP3 O1 C -0.834000 15.9994 + 2429 SYS 810 TIP3 H1 A 0.417000 1.0079 + 2430 SYS 810 TIP3 H2 A 0.417000 1.0079 + 2431 SYS 811 TIP3 O1 C -0.834000 15.9994 + 2432 SYS 811 TIP3 H1 A 0.417000 1.0079 + 2433 SYS 811 TIP3 H2 A 0.417000 1.0079 + 2434 SYS 812 TIP3 O1 C -0.834000 15.9994 + 2435 SYS 812 TIP3 H1 A 0.417000 1.0079 + 2436 SYS 812 TIP3 H2 A 0.417000 1.0079 + 2437 SYS 813 TIP3 O1 C -0.834000 15.9994 + 2438 SYS 813 TIP3 H1 A 0.417000 1.0079 + 2439 SYS 813 TIP3 H2 A 0.417000 1.0079 + 2440 SYS 814 TIP3 O1 C -0.834000 15.9994 + 2441 SYS 814 TIP3 H1 A 0.417000 1.0079 + 2442 SYS 814 TIP3 H2 A 0.417000 1.0079 + 2443 SYS 815 TIP3 O1 C -0.834000 15.9994 + 2444 SYS 815 TIP3 H1 A 0.417000 1.0079 + 2445 SYS 815 TIP3 H2 A 0.417000 1.0079 + 2446 SYS 816 TIP3 O1 C -0.834000 15.9994 + 2447 SYS 816 TIP3 H1 A 0.417000 1.0079 + 2448 SYS 816 TIP3 H2 A 0.417000 1.0079 + 2449 SYS 817 TIP3 O1 C -0.834000 15.9994 + 2450 SYS 817 TIP3 H1 A 0.417000 1.0079 + 2451 SYS 817 TIP3 H2 A 0.417000 1.0079 + 2452 SYS 818 TIP3 O1 C -0.834000 15.9994 + 2453 SYS 818 TIP3 H1 A 0.417000 1.0079 + 2454 SYS 818 TIP3 H2 A 0.417000 1.0079 + 2455 SYS 819 TIP3 O1 C -0.834000 15.9994 + 2456 SYS 819 TIP3 H1 A 0.417000 1.0079 + 2457 SYS 819 TIP3 H2 A 0.417000 1.0079 + 2458 SYS 820 TIP3 O1 C -0.834000 15.9994 + 2459 SYS 820 TIP3 H1 A 0.417000 1.0079 + 2460 SYS 820 TIP3 H2 A 0.417000 1.0079 + 2461 SYS 821 TIP3 O1 C -0.834000 15.9994 + 2462 SYS 821 TIP3 H1 A 0.417000 1.0079 + 2463 SYS 821 TIP3 H2 A 0.417000 1.0079 + 2464 SYS 822 TIP3 O1 C -0.834000 15.9994 + 2465 SYS 822 TIP3 H1 A 0.417000 1.0079 + 2466 SYS 822 TIP3 H2 A 0.417000 1.0079 + 2467 SYS 823 TIP3 O1 C -0.834000 15.9994 + 2468 SYS 823 TIP3 H1 A 0.417000 1.0079 + 2469 SYS 823 TIP3 H2 A 0.417000 1.0079 + 2470 SYS 824 TIP3 O1 C -0.834000 15.9994 + 2471 SYS 824 TIP3 H1 A 0.417000 1.0079 + 2472 SYS 824 TIP3 H2 A 0.417000 1.0079 + 2473 SYS 825 TIP3 O1 C -0.834000 15.9994 + 2474 SYS 825 TIP3 H1 A 0.417000 1.0079 + 2475 SYS 825 TIP3 H2 A 0.417000 1.0079 + 2476 SYS 826 TIP3 O1 C -0.834000 15.9994 + 2477 SYS 826 TIP3 H1 A 0.417000 1.0079 + 2478 SYS 826 TIP3 H2 A 0.417000 1.0079 + 2479 SYS 827 TIP3 O1 C -0.834000 15.9994 + 2480 SYS 827 TIP3 H1 A 0.417000 1.0079 + 2481 SYS 827 TIP3 H2 A 0.417000 1.0079 + 2482 SYS 828 TIP3 O1 C -0.834000 15.9994 + 2483 SYS 828 TIP3 H1 A 0.417000 1.0079 + 2484 SYS 828 TIP3 H2 A 0.417000 1.0079 + 2485 SYS 829 TIP3 O1 C -0.834000 15.9994 + 2486 SYS 829 TIP3 H1 A 0.417000 1.0079 + 2487 SYS 829 TIP3 H2 A 0.417000 1.0079 + 2488 SYS 830 TIP3 O1 C -0.834000 15.9994 + 2489 SYS 830 TIP3 H1 A 0.417000 1.0079 + 2490 SYS 830 TIP3 H2 A 0.417000 1.0079 + 2491 SYS 831 TIP3 O1 C -0.834000 15.9994 + 2492 SYS 831 TIP3 H1 A 0.417000 1.0079 + 2493 SYS 831 TIP3 H2 A 0.417000 1.0079 + 2494 SYS 832 TIP3 O1 C -0.834000 15.9994 + 2495 SYS 832 TIP3 H1 A 0.417000 1.0079 + 2496 SYS 832 TIP3 H2 A 0.417000 1.0079 + 2497 SYS 833 TIP3 O1 C -0.834000 15.9994 + 2498 SYS 833 TIP3 H1 A 0.417000 1.0079 + 2499 SYS 833 TIP3 H2 A 0.417000 1.0079 + 2500 SYS 834 TIP3 O1 C -0.834000 15.9994 + 2501 SYS 834 TIP3 H1 A 0.417000 1.0079 + 2502 SYS 834 TIP3 H2 A 0.417000 1.0079 + 2503 SYS 835 TIP3 O1 C -0.834000 15.9994 + 2504 SYS 835 TIP3 H1 A 0.417000 1.0079 + 2505 SYS 835 TIP3 H2 A 0.417000 1.0079 + 2506 SYS 836 TIP3 O1 C -0.834000 15.9994 + 2507 SYS 836 TIP3 H1 A 0.417000 1.0079 + 2508 SYS 836 TIP3 H2 A 0.417000 1.0079 + 2509 SYS 837 TIP3 O1 C -0.834000 15.9994 + 2510 SYS 837 TIP3 H1 A 0.417000 1.0079 + 2511 SYS 837 TIP3 H2 A 0.417000 1.0079 + 2512 SYS 838 TIP3 O1 C -0.834000 15.9994 + 2513 SYS 838 TIP3 H1 A 0.417000 1.0079 + 2514 SYS 838 TIP3 H2 A 0.417000 1.0079 + 2515 SYS 839 TIP3 O1 C -0.834000 15.9994 + 2516 SYS 839 TIP3 H1 A 0.417000 1.0079 + 2517 SYS 839 TIP3 H2 A 0.417000 1.0079 + 2518 SYS 840 TIP3 O1 C -0.834000 15.9994 + 2519 SYS 840 TIP3 H1 A 0.417000 1.0079 + 2520 SYS 840 TIP3 H2 A 0.417000 1.0079 + 2521 SYS 841 TIP3 O1 C -0.834000 15.9994 + 2522 SYS 841 TIP3 H1 A 0.417000 1.0079 + 2523 SYS 841 TIP3 H2 A 0.417000 1.0079 + 2524 SYS 842 TIP3 O1 C -0.834000 15.9994 + 2525 SYS 842 TIP3 H1 A 0.417000 1.0079 + 2526 SYS 842 TIP3 H2 A 0.417000 1.0079 + 2527 SYS 843 TIP3 O1 C -0.834000 15.9994 + 2528 SYS 843 TIP3 H1 A 0.417000 1.0079 + 2529 SYS 843 TIP3 H2 A 0.417000 1.0079 + 2530 SYS 844 TIP3 O1 C -0.834000 15.9994 + 2531 SYS 844 TIP3 H1 A 0.417000 1.0079 + 2532 SYS 844 TIP3 H2 A 0.417000 1.0079 + 2533 SYS 845 TIP3 O1 C -0.834000 15.9994 + 2534 SYS 845 TIP3 H1 A 0.417000 1.0079 + 2535 SYS 845 TIP3 H2 A 0.417000 1.0079 + 2536 SYS 846 TIP3 O1 C -0.834000 15.9994 + 2537 SYS 846 TIP3 H1 A 0.417000 1.0079 + 2538 SYS 846 TIP3 H2 A 0.417000 1.0079 + 2539 SYS 847 TIP3 O1 C -0.834000 15.9994 + 2540 SYS 847 TIP3 H1 A 0.417000 1.0079 + 2541 SYS 847 TIP3 H2 A 0.417000 1.0079 + 2542 SYS 848 TIP3 O1 C -0.834000 15.9994 + 2543 SYS 848 TIP3 H1 A 0.417000 1.0079 + 2544 SYS 848 TIP3 H2 A 0.417000 1.0079 + 2545 SYS 849 TIP3 O1 C -0.834000 15.9994 + 2546 SYS 849 TIP3 H1 A 0.417000 1.0079 + 2547 SYS 849 TIP3 H2 A 0.417000 1.0079 + 2548 SYS 850 TIP3 O1 C -0.834000 15.9994 + 2549 SYS 850 TIP3 H1 A 0.417000 1.0079 + 2550 SYS 850 TIP3 H2 A 0.417000 1.0079 + 2551 SYS 851 TIP3 O1 C -0.834000 15.9994 + 2552 SYS 851 TIP3 H1 A 0.417000 1.0079 + 2553 SYS 851 TIP3 H2 A 0.417000 1.0079 + 2554 SYS 852 TIP3 O1 C -0.834000 15.9994 + 2555 SYS 852 TIP3 H1 A 0.417000 1.0079 + 2556 SYS 852 TIP3 H2 A 0.417000 1.0079 + 2557 SYS 853 TIP3 O1 C -0.834000 15.9994 + 2558 SYS 853 TIP3 H1 A 0.417000 1.0079 + 2559 SYS 853 TIP3 H2 A 0.417000 1.0079 + 2560 SYS 854 TIP3 O1 C -0.834000 15.9994 + 2561 SYS 854 TIP3 H1 A 0.417000 1.0079 + 2562 SYS 854 TIP3 H2 A 0.417000 1.0079 + 2563 SYS 855 TIP3 O1 C -0.834000 15.9994 + 2564 SYS 855 TIP3 H1 A 0.417000 1.0079 + 2565 SYS 855 TIP3 H2 A 0.417000 1.0079 + 2566 SYS 856 TIP3 O1 C -0.834000 15.9994 + 2567 SYS 856 TIP3 H1 A 0.417000 1.0079 + 2568 SYS 856 TIP3 H2 A 0.417000 1.0079 + 2569 SYS 857 TIP3 O1 C -0.834000 15.9994 + 2570 SYS 857 TIP3 H1 A 0.417000 1.0079 + 2571 SYS 857 TIP3 H2 A 0.417000 1.0079 + 2572 SYS 858 TIP3 O1 C -0.834000 15.9994 + 2573 SYS 858 TIP3 H1 A 0.417000 1.0079 + 2574 SYS 858 TIP3 H2 A 0.417000 1.0079 + 2575 SYS 859 TIP3 O1 C -0.834000 15.9994 + 2576 SYS 859 TIP3 H1 A 0.417000 1.0079 + 2577 SYS 859 TIP3 H2 A 0.417000 1.0079 + 2578 SYS 860 TIP3 O1 C -0.834000 15.9994 + 2579 SYS 860 TIP3 H1 A 0.417000 1.0079 + 2580 SYS 860 TIP3 H2 A 0.417000 1.0079 + 2581 SYS 861 TIP3 O1 C -0.834000 15.9994 + 2582 SYS 861 TIP3 H1 A 0.417000 1.0079 + 2583 SYS 861 TIP3 H2 A 0.417000 1.0079 + 2584 SYS 862 TIP3 O1 C -0.834000 15.9994 + 2585 SYS 862 TIP3 H1 A 0.417000 1.0079 + 2586 SYS 862 TIP3 H2 A 0.417000 1.0079 + 2587 SYS 863 TIP3 O1 C -0.834000 15.9994 + 2588 SYS 863 TIP3 H1 A 0.417000 1.0079 + 2589 SYS 863 TIP3 H2 A 0.417000 1.0079 + 2590 SYS 864 TIP3 O1 C -0.834000 15.9994 + 2591 SYS 864 TIP3 H1 A 0.417000 1.0079 + 2592 SYS 864 TIP3 H2 A 0.417000 1.0079 + 2593 SYS 865 TIP3 O1 C -0.834000 15.9994 + 2594 SYS 865 TIP3 H1 A 0.417000 1.0079 + 2595 SYS 865 TIP3 H2 A 0.417000 1.0079 + 2596 SYS 866 TIP3 O1 C -0.834000 15.9994 + 2597 SYS 866 TIP3 H1 A 0.417000 1.0079 + 2598 SYS 866 TIP3 H2 A 0.417000 1.0079 + 2599 SYS 867 TIP3 O1 C -0.834000 15.9994 + 2600 SYS 867 TIP3 H1 A 0.417000 1.0079 + 2601 SYS 867 TIP3 H2 A 0.417000 1.0079 + 2602 SYS 868 TIP3 O1 C -0.834000 15.9994 + 2603 SYS 868 TIP3 H1 A 0.417000 1.0079 + 2604 SYS 868 TIP3 H2 A 0.417000 1.0079 + 2605 SYS 869 TIP3 O1 C -0.834000 15.9994 + 2606 SYS 869 TIP3 H1 A 0.417000 1.0079 + 2607 SYS 869 TIP3 H2 A 0.417000 1.0079 + 2608 SYS 870 TIP3 O1 C -0.834000 15.9994 + 2609 SYS 870 TIP3 H1 A 0.417000 1.0079 + 2610 SYS 870 TIP3 H2 A 0.417000 1.0079 + 2611 SYS 871 TIP3 O1 C -0.834000 15.9994 + 2612 SYS 871 TIP3 H1 A 0.417000 1.0079 + 2613 SYS 871 TIP3 H2 A 0.417000 1.0079 + 2614 SYS 872 TIP3 O1 C -0.834000 15.9994 + 2615 SYS 872 TIP3 H1 A 0.417000 1.0079 + 2616 SYS 872 TIP3 H2 A 0.417000 1.0079 + 2617 SYS 873 TIP3 O1 C -0.834000 15.9994 + 2618 SYS 873 TIP3 H1 A 0.417000 1.0079 + 2619 SYS 873 TIP3 H2 A 0.417000 1.0079 + 2620 SYS 874 TIP3 O1 C -0.834000 15.9994 + 2621 SYS 874 TIP3 H1 A 0.417000 1.0079 + 2622 SYS 874 TIP3 H2 A 0.417000 1.0079 + 2623 SYS 875 TIP3 O1 C -0.834000 15.9994 + 2624 SYS 875 TIP3 H1 A 0.417000 1.0079 + 2625 SYS 875 TIP3 H2 A 0.417000 1.0079 + 2626 SYS 876 TIP3 O1 C -0.834000 15.9994 + 2627 SYS 876 TIP3 H1 A 0.417000 1.0079 + 2628 SYS 876 TIP3 H2 A 0.417000 1.0079 + 2629 SYS 877 TIP3 O1 C -0.834000 15.9994 + 2630 SYS 877 TIP3 H1 A 0.417000 1.0079 + 2631 SYS 877 TIP3 H2 A 0.417000 1.0079 + 2632 SYS 878 TIP3 O1 C -0.834000 15.9994 + 2633 SYS 878 TIP3 H1 A 0.417000 1.0079 + 2634 SYS 878 TIP3 H2 A 0.417000 1.0079 + 2635 SYS 879 TIP3 O1 C -0.834000 15.9994 + 2636 SYS 879 TIP3 H1 A 0.417000 1.0079 + 2637 SYS 879 TIP3 H2 A 0.417000 1.0079 + 2638 SYS 880 TIP3 O1 C -0.834000 15.9994 + 2639 SYS 880 TIP3 H1 A 0.417000 1.0079 + 2640 SYS 880 TIP3 H2 A 0.417000 1.0079 + 2641 SYS 881 TIP3 O1 C -0.834000 15.9994 + 2642 SYS 881 TIP3 H1 A 0.417000 1.0079 + 2643 SYS 881 TIP3 H2 A 0.417000 1.0079 + 2644 SYS 882 TIP3 O1 C -0.834000 15.9994 + 2645 SYS 882 TIP3 H1 A 0.417000 1.0079 + 2646 SYS 882 TIP3 H2 A 0.417000 1.0079 + 2647 SYS 883 TIP3 O1 C -0.834000 15.9994 + 2648 SYS 883 TIP3 H1 A 0.417000 1.0079 + 2649 SYS 883 TIP3 H2 A 0.417000 1.0079 + 2650 SYS 884 TIP3 O1 C -0.834000 15.9994 + 2651 SYS 884 TIP3 H1 A 0.417000 1.0079 + 2652 SYS 884 TIP3 H2 A 0.417000 1.0079 + 2653 SYS 885 TIP3 O1 C -0.834000 15.9994 + 2654 SYS 885 TIP3 H1 A 0.417000 1.0079 + 2655 SYS 885 TIP3 H2 A 0.417000 1.0079 + 2656 SYS 886 TIP3 O1 C -0.834000 15.9994 + 2657 SYS 886 TIP3 H1 A 0.417000 1.0079 + 2658 SYS 886 TIP3 H2 A 0.417000 1.0079 + 2659 SYS 887 TIP3 O1 C -0.834000 15.9994 + 2660 SYS 887 TIP3 H1 A 0.417000 1.0079 + 2661 SYS 887 TIP3 H2 A 0.417000 1.0079 + 2662 SYS 888 TIP3 O1 C -0.834000 15.9994 + 2663 SYS 888 TIP3 H1 A 0.417000 1.0079 + 2664 SYS 888 TIP3 H2 A 0.417000 1.0079 + 2665 SYS 889 TIP3 O1 C -0.834000 15.9994 + 2666 SYS 889 TIP3 H1 A 0.417000 1.0079 + 2667 SYS 889 TIP3 H2 A 0.417000 1.0079 + 2668 SYS 890 TIP3 O1 C -0.834000 15.9994 + 2669 SYS 890 TIP3 H1 A 0.417000 1.0079 + 2670 SYS 890 TIP3 H2 A 0.417000 1.0079 + 2671 SYS 891 TIP3 O1 C -0.834000 15.9994 + 2672 SYS 891 TIP3 H1 A 0.417000 1.0079 + 2673 SYS 891 TIP3 H2 A 0.417000 1.0079 + 2674 SYS 892 TIP3 O1 C -0.834000 15.9994 + 2675 SYS 892 TIP3 H1 A 0.417000 1.0079 + 2676 SYS 892 TIP3 H2 A 0.417000 1.0079 + 2677 SYS 893 TIP3 O1 C -0.834000 15.9994 + 2678 SYS 893 TIP3 H1 A 0.417000 1.0079 + 2679 SYS 893 TIP3 H2 A 0.417000 1.0079 + 2680 SYS 894 TIP3 O1 C -0.834000 15.9994 + 2681 SYS 894 TIP3 H1 A 0.417000 1.0079 + 2682 SYS 894 TIP3 H2 A 0.417000 1.0079 + 2683 SYS 895 TIP3 O1 C -0.834000 15.9994 + 2684 SYS 895 TIP3 H1 A 0.417000 1.0079 + 2685 SYS 895 TIP3 H2 A 0.417000 1.0079 + 2686 SYS 896 TIP3 O1 C -0.834000 15.9994 + 2687 SYS 896 TIP3 H1 A 0.417000 1.0079 + 2688 SYS 896 TIP3 H2 A 0.417000 1.0079 + 2689 SYS 897 TIP3 O1 C -0.834000 15.9994 + 2690 SYS 897 TIP3 H1 A 0.417000 1.0079 + 2691 SYS 897 TIP3 H2 A 0.417000 1.0079 + 2692 SYS 898 TIP3 O1 C -0.834000 15.9994 + 2693 SYS 898 TIP3 H1 A 0.417000 1.0079 + 2694 SYS 898 TIP3 H2 A 0.417000 1.0079 + 2695 SYS 899 TIP3 O1 C -0.834000 15.9994 + 2696 SYS 899 TIP3 H1 A 0.417000 1.0079 + 2697 SYS 899 TIP3 H2 A 0.417000 1.0079 + 2698 SYS 900 TIP3 O1 C -0.834000 15.9994 + 2699 SYS 900 TIP3 H1 A 0.417000 1.0079 + 2700 SYS 900 TIP3 H2 A 0.417000 1.0079 + 2701 SYS 901 TIP3 O1 C -0.834000 15.9994 + 2702 SYS 901 TIP3 H1 A 0.417000 1.0079 + 2703 SYS 901 TIP3 H2 A 0.417000 1.0079 + 2704 SYS 902 TIP3 O1 C -0.834000 15.9994 + 2705 SYS 902 TIP3 H1 A 0.417000 1.0079 + 2706 SYS 902 TIP3 H2 A 0.417000 1.0079 + 2707 SYS 903 TIP3 O1 C -0.834000 15.9994 + 2708 SYS 903 TIP3 H1 A 0.417000 1.0079 + 2709 SYS 903 TIP3 H2 A 0.417000 1.0079 + 2710 SYS 904 TIP3 O1 C -0.834000 15.9994 + 2711 SYS 904 TIP3 H1 A 0.417000 1.0079 + 2712 SYS 904 TIP3 H2 A 0.417000 1.0079 + 2713 SYS 905 TIP3 O1 C -0.834000 15.9994 + 2714 SYS 905 TIP3 H1 A 0.417000 1.0079 + 2715 SYS 905 TIP3 H2 A 0.417000 1.0079 + 2716 SYS 906 TIP3 O1 C -0.834000 15.9994 + 2717 SYS 906 TIP3 H1 A 0.417000 1.0079 + 2718 SYS 906 TIP3 H2 A 0.417000 1.0079 + 2719 SYS 907 TIP3 O1 C -0.834000 15.9994 + 2720 SYS 907 TIP3 H1 A 0.417000 1.0079 + 2721 SYS 907 TIP3 H2 A 0.417000 1.0079 + 2722 SYS 908 TIP3 O1 C -0.834000 15.9994 + 2723 SYS 908 TIP3 H1 A 0.417000 1.0079 + 2724 SYS 908 TIP3 H2 A 0.417000 1.0079 + 2725 SYS 909 TIP3 O1 C -0.834000 15.9994 + 2726 SYS 909 TIP3 H1 A 0.417000 1.0079 + 2727 SYS 909 TIP3 H2 A 0.417000 1.0079 + 2728 SYS 910 TIP3 O1 C -0.834000 15.9994 + 2729 SYS 910 TIP3 H1 A 0.417000 1.0079 + 2730 SYS 910 TIP3 H2 A 0.417000 1.0079 + 2731 SYS 911 TIP3 O1 C -0.834000 15.9994 + 2732 SYS 911 TIP3 H1 A 0.417000 1.0079 + 2733 SYS 911 TIP3 H2 A 0.417000 1.0079 + 2734 SYS 912 TIP3 O1 C -0.834000 15.9994 + 2735 SYS 912 TIP3 H1 A 0.417000 1.0079 + 2736 SYS 912 TIP3 H2 A 0.417000 1.0079 + 2737 SYS 913 TIP3 O1 C -0.834000 15.9994 + 2738 SYS 913 TIP3 H1 A 0.417000 1.0079 + 2739 SYS 913 TIP3 H2 A 0.417000 1.0079 + 2740 SYS 914 TIP3 O1 C -0.834000 15.9994 + 2741 SYS 914 TIP3 H1 A 0.417000 1.0079 + 2742 SYS 914 TIP3 H2 A 0.417000 1.0079 + 2743 SYS 915 TIP3 O1 C -0.834000 15.9994 + 2744 SYS 915 TIP3 H1 A 0.417000 1.0079 + 2745 SYS 915 TIP3 H2 A 0.417000 1.0079 + 2746 SYS 916 TIP3 O1 C -0.834000 15.9994 + 2747 SYS 916 TIP3 H1 A 0.417000 1.0079 + 2748 SYS 916 TIP3 H2 A 0.417000 1.0079 + 2749 SYS 917 TIP3 O1 C -0.834000 15.9994 + 2750 SYS 917 TIP3 H1 A 0.417000 1.0079 + 2751 SYS 917 TIP3 H2 A 0.417000 1.0079 + 2752 SYS 918 TIP3 O1 C -0.834000 15.9994 + 2753 SYS 918 TIP3 H1 A 0.417000 1.0079 + 2754 SYS 918 TIP3 H2 A 0.417000 1.0079 + 2755 SYS 919 TIP3 O1 C -0.834000 15.9994 + 2756 SYS 919 TIP3 H1 A 0.417000 1.0079 + 2757 SYS 919 TIP3 H2 A 0.417000 1.0079 + 2758 SYS 920 TIP3 O1 C -0.834000 15.9994 + 2759 SYS 920 TIP3 H1 A 0.417000 1.0079 + 2760 SYS 920 TIP3 H2 A 0.417000 1.0079 + 2761 SYS 921 TIP3 O1 C -0.834000 15.9994 + 2762 SYS 921 TIP3 H1 A 0.417000 1.0079 + 2763 SYS 921 TIP3 H2 A 0.417000 1.0079 + 2764 SYS 922 TIP3 O1 C -0.834000 15.9994 + 2765 SYS 922 TIP3 H1 A 0.417000 1.0079 + 2766 SYS 922 TIP3 H2 A 0.417000 1.0079 + 2767 SYS 923 TIP3 O1 C -0.834000 15.9994 + 2768 SYS 923 TIP3 H1 A 0.417000 1.0079 + 2769 SYS 923 TIP3 H2 A 0.417000 1.0079 + 2770 SYS 924 TIP3 O1 C -0.834000 15.9994 + 2771 SYS 924 TIP3 H1 A 0.417000 1.0079 + 2772 SYS 924 TIP3 H2 A 0.417000 1.0079 + 2773 SYS 925 TIP3 O1 C -0.834000 15.9994 + 2774 SYS 925 TIP3 H1 A 0.417000 1.0079 + 2775 SYS 925 TIP3 H2 A 0.417000 1.0079 + 2776 SYS 926 TIP3 O1 C -0.834000 15.9994 + 2777 SYS 926 TIP3 H1 A 0.417000 1.0079 + 2778 SYS 926 TIP3 H2 A 0.417000 1.0079 + 2779 SYS 927 TIP3 O1 C -0.834000 15.9994 + 2780 SYS 927 TIP3 H1 A 0.417000 1.0079 + 2781 SYS 927 TIP3 H2 A 0.417000 1.0079 + 2782 SYS 928 TIP3 O1 C -0.834000 15.9994 + 2783 SYS 928 TIP3 H1 A 0.417000 1.0079 + 2784 SYS 928 TIP3 H2 A 0.417000 1.0079 + 2785 SYS 929 TIP3 O1 C -0.834000 15.9994 + 2786 SYS 929 TIP3 H1 A 0.417000 1.0079 + 2787 SYS 929 TIP3 H2 A 0.417000 1.0079 + 2788 SYS 930 TIP3 O1 C -0.834000 15.9994 + 2789 SYS 930 TIP3 H1 A 0.417000 1.0079 + 2790 SYS 930 TIP3 H2 A 0.417000 1.0079 + 2791 SYS 931 TIP3 O1 C -0.834000 15.9994 + 2792 SYS 931 TIP3 H1 A 0.417000 1.0079 + 2793 SYS 931 TIP3 H2 A 0.417000 1.0079 + 2794 SYS 932 TIP3 O1 C -0.834000 15.9994 + 2795 SYS 932 TIP3 H1 A 0.417000 1.0079 + 2796 SYS 932 TIP3 H2 A 0.417000 1.0079 + 2797 SYS 933 TIP3 O1 C -0.834000 15.9994 + 2798 SYS 933 TIP3 H1 A 0.417000 1.0079 + 2799 SYS 933 TIP3 H2 A 0.417000 1.0079 + 2800 SYS 934 TIP3 O1 C -0.834000 15.9994 + 2801 SYS 934 TIP3 H1 A 0.417000 1.0079 + 2802 SYS 934 TIP3 H2 A 0.417000 1.0079 + 2803 SYS 935 TIP3 O1 C -0.834000 15.9994 + 2804 SYS 935 TIP3 H1 A 0.417000 1.0079 + 2805 SYS 935 TIP3 H2 A 0.417000 1.0079 + 2806 SYS 936 TIP3 O1 C -0.834000 15.9994 + 2807 SYS 936 TIP3 H1 A 0.417000 1.0079 + 2808 SYS 936 TIP3 H2 A 0.417000 1.0079 + 2809 SYS 937 TIP3 O1 C -0.834000 15.9994 + 2810 SYS 937 TIP3 H1 A 0.417000 1.0079 + 2811 SYS 937 TIP3 H2 A 0.417000 1.0079 + 2812 SYS 938 TIP3 O1 C -0.834000 15.9994 + 2813 SYS 938 TIP3 H1 A 0.417000 1.0079 + 2814 SYS 938 TIP3 H2 A 0.417000 1.0079 + 2815 SYS 939 TIP3 O1 C -0.834000 15.9994 + 2816 SYS 939 TIP3 H1 A 0.417000 1.0079 + 2817 SYS 939 TIP3 H2 A 0.417000 1.0079 + 2818 SYS 940 TIP3 O1 C -0.834000 15.9994 + 2819 SYS 940 TIP3 H1 A 0.417000 1.0079 + 2820 SYS 940 TIP3 H2 A 0.417000 1.0079 + 2821 SYS 941 TIP3 O1 C -0.834000 15.9994 + 2822 SYS 941 TIP3 H1 A 0.417000 1.0079 + 2823 SYS 941 TIP3 H2 A 0.417000 1.0079 + 2824 SYS 942 TIP3 O1 C -0.834000 15.9994 + 2825 SYS 942 TIP3 H1 A 0.417000 1.0079 + 2826 SYS 942 TIP3 H2 A 0.417000 1.0079 + 2827 SYS 943 TIP3 O1 C -0.834000 15.9994 + 2828 SYS 943 TIP3 H1 A 0.417000 1.0079 + 2829 SYS 943 TIP3 H2 A 0.417000 1.0079 + 2830 SYS 944 TIP3 O1 C -0.834000 15.9994 + 2831 SYS 944 TIP3 H1 A 0.417000 1.0079 + 2832 SYS 944 TIP3 H2 A 0.417000 1.0079 + 2833 SYS 945 TIP3 O1 C -0.834000 15.9994 + 2834 SYS 945 TIP3 H1 A 0.417000 1.0079 + 2835 SYS 945 TIP3 H2 A 0.417000 1.0079 + 2836 SYS 946 TIP3 O1 C -0.834000 15.9994 + 2837 SYS 946 TIP3 H1 A 0.417000 1.0079 + 2838 SYS 946 TIP3 H2 A 0.417000 1.0079 + 2839 SYS 947 TIP3 O1 C -0.834000 15.9994 + 2840 SYS 947 TIP3 H1 A 0.417000 1.0079 + 2841 SYS 947 TIP3 H2 A 0.417000 1.0079 + 2842 SYS 948 TIP3 O1 C -0.834000 15.9994 + 2843 SYS 948 TIP3 H1 A 0.417000 1.0079 + 2844 SYS 948 TIP3 H2 A 0.417000 1.0079 + 2845 SYS 949 TIP3 O1 C -0.834000 15.9994 + 2846 SYS 949 TIP3 H1 A 0.417000 1.0079 + 2847 SYS 949 TIP3 H2 A 0.417000 1.0079 + 2848 SYS 950 TIP3 O1 C -0.834000 15.9994 + 2849 SYS 950 TIP3 H1 A 0.417000 1.0079 + 2850 SYS 950 TIP3 H2 A 0.417000 1.0079 + 2851 SYS 951 TIP3 O1 C -0.834000 15.9994 + 2852 SYS 951 TIP3 H1 A 0.417000 1.0079 + 2853 SYS 951 TIP3 H2 A 0.417000 1.0079 + 2854 SYS 952 TIP3 O1 C -0.834000 15.9994 + 2855 SYS 952 TIP3 H1 A 0.417000 1.0079 + 2856 SYS 952 TIP3 H2 A 0.417000 1.0079 + 2857 SYS 953 TIP3 O1 C -0.834000 15.9994 + 2858 SYS 953 TIP3 H1 A 0.417000 1.0079 + 2859 SYS 953 TIP3 H2 A 0.417000 1.0079 + 2860 SYS 954 TIP3 O1 C -0.834000 15.9994 + 2861 SYS 954 TIP3 H1 A 0.417000 1.0079 + 2862 SYS 954 TIP3 H2 A 0.417000 1.0079 + 2863 SYS 955 TIP3 O1 C -0.834000 15.9994 + 2864 SYS 955 TIP3 H1 A 0.417000 1.0079 + 2865 SYS 955 TIP3 H2 A 0.417000 1.0079 + 2866 SYS 956 TIP3 O1 C -0.834000 15.9994 + 2867 SYS 956 TIP3 H1 A 0.417000 1.0079 + 2868 SYS 956 TIP3 H2 A 0.417000 1.0079 + 2869 SYS 957 TIP3 O1 C -0.834000 15.9994 + 2870 SYS 957 TIP3 H1 A 0.417000 1.0079 + 2871 SYS 957 TIP3 H2 A 0.417000 1.0079 + 2872 SYS 958 TIP3 O1 C -0.834000 15.9994 + 2873 SYS 958 TIP3 H1 A 0.417000 1.0079 + 2874 SYS 958 TIP3 H2 A 0.417000 1.0079 + 2875 SYS 959 TIP3 O1 C -0.834000 15.9994 + 2876 SYS 959 TIP3 H1 A 0.417000 1.0079 + 2877 SYS 959 TIP3 H2 A 0.417000 1.0079 + 2878 SYS 960 TIP3 O1 C -0.834000 15.9994 + 2879 SYS 960 TIP3 H1 A 0.417000 1.0079 + 2880 SYS 960 TIP3 H2 A 0.417000 1.0079 + 2881 SYS 961 TIP3 O1 C -0.834000 15.9994 + 2882 SYS 961 TIP3 H1 A 0.417000 1.0079 + 2883 SYS 961 TIP3 H2 A 0.417000 1.0079 + 2884 SYS 962 TIP3 O1 C -0.834000 15.9994 + 2885 SYS 962 TIP3 H1 A 0.417000 1.0079 + 2886 SYS 962 TIP3 H2 A 0.417000 1.0079 + 2887 SYS 963 TIP3 O1 C -0.834000 15.9994 + 2888 SYS 963 TIP3 H1 A 0.417000 1.0079 + 2889 SYS 963 TIP3 H2 A 0.417000 1.0079 + 2890 SYS 964 TIP3 O1 C -0.834000 15.9994 + 2891 SYS 964 TIP3 H1 A 0.417000 1.0079 + 2892 SYS 964 TIP3 H2 A 0.417000 1.0079 + 2893 SYS 965 TIP3 O1 C -0.834000 15.9994 + 2894 SYS 965 TIP3 H1 A 0.417000 1.0079 + 2895 SYS 965 TIP3 H2 A 0.417000 1.0079 + 2896 SYS 966 TIP3 O1 C -0.834000 15.9994 + 2897 SYS 966 TIP3 H1 A 0.417000 1.0079 + 2898 SYS 966 TIP3 H2 A 0.417000 1.0079 + 2899 SYS 967 TIP3 O1 C -0.834000 15.9994 + 2900 SYS 967 TIP3 H1 A 0.417000 1.0079 + 2901 SYS 967 TIP3 H2 A 0.417000 1.0079 + 2902 SYS 968 TIP3 O1 C -0.834000 15.9994 + 2903 SYS 968 TIP3 H1 A 0.417000 1.0079 + 2904 SYS 968 TIP3 H2 A 0.417000 1.0079 + 2905 SYS 969 TIP3 O1 C -0.834000 15.9994 + 2906 SYS 969 TIP3 H1 A 0.417000 1.0079 + 2907 SYS 969 TIP3 H2 A 0.417000 1.0079 + 2908 SYS 970 TIP3 O1 C -0.834000 15.9994 + 2909 SYS 970 TIP3 H1 A 0.417000 1.0079 + 2910 SYS 970 TIP3 H2 A 0.417000 1.0079 + 2911 SYS 971 TIP3 O1 C -0.834000 15.9994 + 2912 SYS 971 TIP3 H1 A 0.417000 1.0079 + 2913 SYS 971 TIP3 H2 A 0.417000 1.0079 + 2914 SYS 972 TIP3 O1 C -0.834000 15.9994 + 2915 SYS 972 TIP3 H1 A 0.417000 1.0079 + 2916 SYS 972 TIP3 H2 A 0.417000 1.0079 + 2917 SYS 973 TIP3 O1 C -0.834000 15.9994 + 2918 SYS 973 TIP3 H1 A 0.417000 1.0079 + 2919 SYS 973 TIP3 H2 A 0.417000 1.0079 + 2920 SYS 974 TIP3 O1 C -0.834000 15.9994 + 2921 SYS 974 TIP3 H1 A 0.417000 1.0079 + 2922 SYS 974 TIP3 H2 A 0.417000 1.0079 + 2923 SYS 975 TIP3 O1 C -0.834000 15.9994 + 2924 SYS 975 TIP3 H1 A 0.417000 1.0079 + 2925 SYS 975 TIP3 H2 A 0.417000 1.0079 + 2926 SYS 976 TIP3 O1 C -0.834000 15.9994 + 2927 SYS 976 TIP3 H1 A 0.417000 1.0079 + 2928 SYS 976 TIP3 H2 A 0.417000 1.0079 + 2929 SYS 977 TIP3 O1 C -0.834000 15.9994 + 2930 SYS 977 TIP3 H1 A 0.417000 1.0079 + 2931 SYS 977 TIP3 H2 A 0.417000 1.0079 + 2932 SYS 978 TIP3 O1 C -0.834000 15.9994 + 2933 SYS 978 TIP3 H1 A 0.417000 1.0079 + 2934 SYS 978 TIP3 H2 A 0.417000 1.0079 + 2935 SYS 979 TIP3 O1 C -0.834000 15.9994 + 2936 SYS 979 TIP3 H1 A 0.417000 1.0079 + 2937 SYS 979 TIP3 H2 A 0.417000 1.0079 + 2938 SYS 980 TIP3 O1 C -0.834000 15.9994 + 2939 SYS 980 TIP3 H1 A 0.417000 1.0079 + 2940 SYS 980 TIP3 H2 A 0.417000 1.0079 + 2941 SYS 981 TIP3 O1 C -0.834000 15.9994 + 2942 SYS 981 TIP3 H1 A 0.417000 1.0079 + 2943 SYS 981 TIP3 H2 A 0.417000 1.0079 + 2944 SYS 982 TIP3 O1 C -0.834000 15.9994 + 2945 SYS 982 TIP3 H1 A 0.417000 1.0079 + 2946 SYS 982 TIP3 H2 A 0.417000 1.0079 + 2947 SYS 983 TIP3 O1 C -0.834000 15.9994 + 2948 SYS 983 TIP3 H1 A 0.417000 1.0079 + 2949 SYS 983 TIP3 H2 A 0.417000 1.0079 + 2950 SYS 984 TIP3 O1 C -0.834000 15.9994 + 2951 SYS 984 TIP3 H1 A 0.417000 1.0079 + 2952 SYS 984 TIP3 H2 A 0.417000 1.0079 + 2953 SYS 985 TIP3 O1 C -0.834000 15.9994 + 2954 SYS 985 TIP3 H1 A 0.417000 1.0079 + 2955 SYS 985 TIP3 H2 A 0.417000 1.0079 + 2956 SYS 986 TIP3 O1 C -0.834000 15.9994 + 2957 SYS 986 TIP3 H1 A 0.417000 1.0079 + 2958 SYS 986 TIP3 H2 A 0.417000 1.0079 + 2959 SYS 987 TIP3 O1 C -0.834000 15.9994 + 2960 SYS 987 TIP3 H1 A 0.417000 1.0079 + 2961 SYS 987 TIP3 H2 A 0.417000 1.0079 + 2962 SYS 988 TIP3 O1 C -0.834000 15.9994 + 2963 SYS 988 TIP3 H1 A 0.417000 1.0079 + 2964 SYS 988 TIP3 H2 A 0.417000 1.0079 + 2965 SYS 989 TIP3 O1 C -0.834000 15.9994 + 2966 SYS 989 TIP3 H1 A 0.417000 1.0079 + 2967 SYS 989 TIP3 H2 A 0.417000 1.0079 + 2968 SYS 990 TIP3 O1 C -0.834000 15.9994 + 2969 SYS 990 TIP3 H1 A 0.417000 1.0079 + 2970 SYS 990 TIP3 H2 A 0.417000 1.0079 + 2971 SYS 991 TIP3 O1 C -0.834000 15.9994 + 2972 SYS 991 TIP3 H1 A 0.417000 1.0079 + 2973 SYS 991 TIP3 H2 A 0.417000 1.0079 + 2974 SYS 992 TIP3 O1 C -0.834000 15.9994 + 2975 SYS 992 TIP3 H1 A 0.417000 1.0079 + 2976 SYS 992 TIP3 H2 A 0.417000 1.0079 + 2977 SYS 993 TIP3 O1 C -0.834000 15.9994 + 2978 SYS 993 TIP3 H1 A 0.417000 1.0079 + 2979 SYS 993 TIP3 H2 A 0.417000 1.0079 + 2980 SYS 994 TIP3 O1 C -0.834000 15.9994 + 2981 SYS 994 TIP3 H1 A 0.417000 1.0079 + 2982 SYS 994 TIP3 H2 A 0.417000 1.0079 + 2983 SYS 995 TIP3 O1 C -0.834000 15.9994 + 2984 SYS 995 TIP3 H1 A 0.417000 1.0079 + 2985 SYS 995 TIP3 H2 A 0.417000 1.0079 + 2986 SYS 996 TIP3 O1 C -0.834000 15.9994 + 2987 SYS 996 TIP3 H1 A 0.417000 1.0079 + 2988 SYS 996 TIP3 H2 A 0.417000 1.0079 + 2989 SYS 997 TIP3 O1 C -0.834000 15.9994 + 2990 SYS 997 TIP3 H1 A 0.417000 1.0079 + 2991 SYS 997 TIP3 H2 A 0.417000 1.0079 + 2992 SYS 998 TIP3 O1 C -0.834000 15.9994 + 2993 SYS 998 TIP3 H1 A 0.417000 1.0079 + 2994 SYS 998 TIP3 H2 A 0.417000 1.0079 + 2995 SYS 999 TIP3 O1 C -0.834000 15.9994 + 2996 SYS 999 TIP3 H1 A 0.417000 1.0079 + 2997 SYS 999 TIP3 H2 A 0.417000 1.0079 + 2998 SYS 1000 TIP3 O1 C -0.834000 15.9994 + 2999 SYS 1000 TIP3 H1 A 0.417000 1.0079 + 3000 SYS 1000 TIP3 H2 A 0.417000 1.0079 + 3001 SYS 1001 TIP3 O1 C -0.834000 15.9994 + 3002 SYS 1001 TIP3 H1 A 0.417000 1.0079 + 3003 SYS 1001 TIP3 H2 A 0.417000 1.0079 + 3004 SYS 1002 TIP3 O1 C -0.834000 15.9994 + 3005 SYS 1002 TIP3 H1 A 0.417000 1.0079 + 3006 SYS 1002 TIP3 H2 A 0.417000 1.0079 + 3007 SYS 1003 TIP3 O1 C -0.834000 15.9994 + 3008 SYS 1003 TIP3 H1 A 0.417000 1.0079 + 3009 SYS 1003 TIP3 H2 A 0.417000 1.0079 + 3010 SYS 1004 TIP3 O1 C -0.834000 15.9994 + 3011 SYS 1004 TIP3 H1 A 0.417000 1.0079 + 3012 SYS 1004 TIP3 H2 A 0.417000 1.0079 + 3013 SYS 1005 TIP3 O1 C -0.834000 15.9994 + 3014 SYS 1005 TIP3 H1 A 0.417000 1.0079 + 3015 SYS 1005 TIP3 H2 A 0.417000 1.0079 + 3016 SYS 1006 TIP3 O1 C -0.834000 15.9994 + 3017 SYS 1006 TIP3 H1 A 0.417000 1.0079 + 3018 SYS 1006 TIP3 H2 A 0.417000 1.0079 + 3019 SYS 1007 TIP3 O1 C -0.834000 15.9994 + 3020 SYS 1007 TIP3 H1 A 0.417000 1.0079 + 3021 SYS 1007 TIP3 H2 A 0.417000 1.0079 + 3022 SYS 1008 TIP3 O1 C -0.834000 15.9994 + 3023 SYS 1008 TIP3 H1 A 0.417000 1.0079 + 3024 SYS 1008 TIP3 H2 A 0.417000 1.0079 + 3025 SYS 1009 TIP3 O1 C -0.834000 15.9994 + 3026 SYS 1009 TIP3 H1 A 0.417000 1.0079 + 3027 SYS 1009 TIP3 H2 A 0.417000 1.0079 + 3028 SYS 1010 TIP3 O1 C -0.834000 15.9994 + 3029 SYS 1010 TIP3 H1 A 0.417000 1.0079 + 3030 SYS 1010 TIP3 H2 A 0.417000 1.0079 + 3031 SYS 1011 TIP3 O1 C -0.834000 15.9994 + 3032 SYS 1011 TIP3 H1 A 0.417000 1.0079 + 3033 SYS 1011 TIP3 H2 A 0.417000 1.0079 + 3034 SYS 1012 TIP3 O1 C -0.834000 15.9994 + 3035 SYS 1012 TIP3 H1 A 0.417000 1.0079 + 3036 SYS 1012 TIP3 H2 A 0.417000 1.0079 + 3037 SYS 1013 TIP3 O1 C -0.834000 15.9994 + 3038 SYS 1013 TIP3 H1 A 0.417000 1.0079 + 3039 SYS 1013 TIP3 H2 A 0.417000 1.0079 + 3040 SYS 1014 TIP3 O1 C -0.834000 15.9994 + 3041 SYS 1014 TIP3 H1 A 0.417000 1.0079 + 3042 SYS 1014 TIP3 H2 A 0.417000 1.0079 + 3043 SYS 1015 TIP3 O1 C -0.834000 15.9994 + 3044 SYS 1015 TIP3 H1 A 0.417000 1.0079 + 3045 SYS 1015 TIP3 H2 A 0.417000 1.0079 + 3046 SYS 1016 TIP3 O1 C -0.834000 15.9994 + 3047 SYS 1016 TIP3 H1 A 0.417000 1.0079 + 3048 SYS 1016 TIP3 H2 A 0.417000 1.0079 + 3049 SYS 1017 TIP3 O1 C -0.834000 15.9994 + 3050 SYS 1017 TIP3 H1 A 0.417000 1.0079 + 3051 SYS 1017 TIP3 H2 A 0.417000 1.0079 + 3052 SYS 1018 TIP3 O1 C -0.834000 15.9994 + 3053 SYS 1018 TIP3 H1 A 0.417000 1.0079 + 3054 SYS 1018 TIP3 H2 A 0.417000 1.0079 + 3055 SYS 1019 TIP3 O1 C -0.834000 15.9994 + 3056 SYS 1019 TIP3 H1 A 0.417000 1.0079 + 3057 SYS 1019 TIP3 H2 A 0.417000 1.0079 + 3058 SYS 1020 TIP3 O1 C -0.834000 15.9994 + 3059 SYS 1020 TIP3 H1 A 0.417000 1.0079 + 3060 SYS 1020 TIP3 H2 A 0.417000 1.0079 + 3061 SYS 1021 TIP3 O1 C -0.834000 15.9994 + 3062 SYS 1021 TIP3 H1 A 0.417000 1.0079 + 3063 SYS 1021 TIP3 H2 A 0.417000 1.0079 + 3064 SYS 1022 TIP3 O1 C -0.834000 15.9994 + 3065 SYS 1022 TIP3 H1 A 0.417000 1.0079 + 3066 SYS 1022 TIP3 H2 A 0.417000 1.0079 + 3067 SYS 1023 TIP3 O1 C -0.834000 15.9994 + 3068 SYS 1023 TIP3 H1 A 0.417000 1.0079 + 3069 SYS 1023 TIP3 H2 A 0.417000 1.0079 + 3070 SYS 1024 TIP3 O1 C -0.834000 15.9994 + 3071 SYS 1024 TIP3 H1 A 0.417000 1.0079 + 3072 SYS 1024 TIP3 H2 A 0.417000 1.0079 + 3073 SYS 1025 TIP3 O1 C -0.834000 15.9994 + 3074 SYS 1025 TIP3 H1 A 0.417000 1.0079 + 3075 SYS 1025 TIP3 H2 A 0.417000 1.0079 + 3076 SYS 1026 TIP3 O1 C -0.834000 15.9994 + 3077 SYS 1026 TIP3 H1 A 0.417000 1.0079 + 3078 SYS 1026 TIP3 H2 A 0.417000 1.0079 + 3079 SYS 1027 TIP3 O1 C -0.834000 15.9994 + 3080 SYS 1027 TIP3 H1 A 0.417000 1.0079 + 3081 SYS 1027 TIP3 H2 A 0.417000 1.0079 + 3082 SYS 1028 TIP3 O1 C -0.834000 15.9994 + 3083 SYS 1028 TIP3 H1 A 0.417000 1.0079 + 3084 SYS 1028 TIP3 H2 A 0.417000 1.0079 + 3085 SYS 1029 TIP3 O1 C -0.834000 15.9994 + 3086 SYS 1029 TIP3 H1 A 0.417000 1.0079 + 3087 SYS 1029 TIP3 H2 A 0.417000 1.0079 + 3088 SYS 1030 TIP3 O1 C -0.834000 15.9994 + 3089 SYS 1030 TIP3 H1 A 0.417000 1.0079 + 3090 SYS 1030 TIP3 H2 A 0.417000 1.0079 + 3091 SYS 1031 TIP3 O1 C -0.834000 15.9994 + 3092 SYS 1031 TIP3 H1 A 0.417000 1.0079 + 3093 SYS 1031 TIP3 H2 A 0.417000 1.0079 + 3094 SYS 1032 TIP3 O1 C -0.834000 15.9994 + 3095 SYS 1032 TIP3 H1 A 0.417000 1.0079 + 3096 SYS 1032 TIP3 H2 A 0.417000 1.0079 + 3097 SYS 1033 TIP3 O1 C -0.834000 15.9994 + 3098 SYS 1033 TIP3 H1 A 0.417000 1.0079 + 3099 SYS 1033 TIP3 H2 A 0.417000 1.0079 + 3100 SYS 1034 TIP3 O1 C -0.834000 15.9994 + 3101 SYS 1034 TIP3 H1 A 0.417000 1.0079 + 3102 SYS 1034 TIP3 H2 A 0.417000 1.0079 + 3103 SYS 1035 TIP3 O1 C -0.834000 15.9994 + 3104 SYS 1035 TIP3 H1 A 0.417000 1.0079 + 3105 SYS 1035 TIP3 H2 A 0.417000 1.0079 + 3106 SYS 1036 TIP3 O1 C -0.834000 15.9994 + 3107 SYS 1036 TIP3 H1 A 0.417000 1.0079 + 3108 SYS 1036 TIP3 H2 A 0.417000 1.0079 + 3109 SYS 1037 TIP3 O1 C -0.834000 15.9994 + 3110 SYS 1037 TIP3 H1 A 0.417000 1.0079 + 3111 SYS 1037 TIP3 H2 A 0.417000 1.0079 + 3112 SYS 1038 TIP3 O1 C -0.834000 15.9994 + 3113 SYS 1038 TIP3 H1 A 0.417000 1.0079 + 3114 SYS 1038 TIP3 H2 A 0.417000 1.0079 + 3115 SYS 1039 TIP3 O1 C -0.834000 15.9994 + 3116 SYS 1039 TIP3 H1 A 0.417000 1.0079 + 3117 SYS 1039 TIP3 H2 A 0.417000 1.0079 + 3118 SYS 1040 TIP3 O1 C -0.834000 15.9994 + 3119 SYS 1040 TIP3 H1 A 0.417000 1.0079 + 3120 SYS 1040 TIP3 H2 A 0.417000 1.0079 + 3121 SYS 1041 TIP3 O1 C -0.834000 15.9994 + 3122 SYS 1041 TIP3 H1 A 0.417000 1.0079 + 3123 SYS 1041 TIP3 H2 A 0.417000 1.0079 + 3124 SYS 1042 TIP3 O1 C -0.834000 15.9994 + 3125 SYS 1042 TIP3 H1 A 0.417000 1.0079 + 3126 SYS 1042 TIP3 H2 A 0.417000 1.0079 + 3127 SYS 1043 TIP3 O1 C -0.834000 15.9994 + 3128 SYS 1043 TIP3 H1 A 0.417000 1.0079 + 3129 SYS 1043 TIP3 H2 A 0.417000 1.0079 + 3130 SYS 1044 TIP3 O1 C -0.834000 15.9994 + 3131 SYS 1044 TIP3 H1 A 0.417000 1.0079 + 3132 SYS 1044 TIP3 H2 A 0.417000 1.0079 + 3133 SYS 1045 TIP3 O1 C -0.834000 15.9994 + 3134 SYS 1045 TIP3 H1 A 0.417000 1.0079 + 3135 SYS 1045 TIP3 H2 A 0.417000 1.0079 + 3136 SYS 1046 TIP3 O1 C -0.834000 15.9994 + 3137 SYS 1046 TIP3 H1 A 0.417000 1.0079 + 3138 SYS 1046 TIP3 H2 A 0.417000 1.0079 + 3139 SYS 1047 TIP3 O1 C -0.834000 15.9994 + 3140 SYS 1047 TIP3 H1 A 0.417000 1.0079 + 3141 SYS 1047 TIP3 H2 A 0.417000 1.0079 + 3142 SYS 1048 WAT O1 D -0.834000 15.9994 + 3143 SYS 1048 WAT H1 B 0.417000 1.0079 + 3144 SYS 1048 WAT H2 B 0.417000 1.0079 + 3145 SYS 1049 WAT O1 D -0.834000 15.9994 + 3146 SYS 1049 WAT H1 B 0.417000 1.0079 + 3147 SYS 1049 WAT H2 B 0.417000 1.0079 + 3148 SYS 1050 WAT O1 D -0.834000 15.9994 + 3149 SYS 1050 WAT H1 B 0.417000 1.0079 + 3150 SYS 1050 WAT H2 B 0.417000 1.0079 + 3151 SYS 1051 WAT O1 D -0.834000 15.9994 + 3152 SYS 1051 WAT H1 B 0.417000 1.0079 + 3153 SYS 1051 WAT H2 B 0.417000 1.0079 + 3154 SYS 1052 WAT O1 D -0.834000 15.9994 + 3155 SYS 1052 WAT H1 B 0.417000 1.0079 + 3156 SYS 1052 WAT H2 B 0.417000 1.0079 + 3157 SYS 1053 WAT O1 D -0.834000 15.9994 + 3158 SYS 1053 WAT H1 B 0.417000 1.0079 + 3159 SYS 1053 WAT H2 B 0.417000 1.0079 + 3160 SYS 1054 WAT O1 D -0.834000 15.9994 + 3161 SYS 1054 WAT H1 B 0.417000 1.0079 + 3162 SYS 1054 WAT H2 B 0.417000 1.0079 + 3163 SYS 1055 WAT O1 D -0.834000 15.9994 + 3164 SYS 1055 WAT H1 B 0.417000 1.0079 + 3165 SYS 1055 WAT H2 B 0.417000 1.0079 + 3166 SYS 1056 WAT O1 D -0.834000 15.9994 + 3167 SYS 1056 WAT H1 B 0.417000 1.0079 + 3168 SYS 1056 WAT H2 B 0.417000 1.0079 + 3169 SYS 1057 WAT O1 D -0.834000 15.9994 + 3170 SYS 1057 WAT H1 B 0.417000 1.0079 + 3171 SYS 1057 WAT H2 B 0.417000 1.0079 + 3172 SYS 1058 WAT O1 D -0.834000 15.9994 + 3173 SYS 1058 WAT H1 B 0.417000 1.0079 + 3174 SYS 1058 WAT H2 B 0.417000 1.0079 + 3175 SYS 1059 WAT O1 D -0.834000 15.9994 + 3176 SYS 1059 WAT H1 B 0.417000 1.0079 + 3177 SYS 1059 WAT H2 B 0.417000 1.0079 + 3178 SYS 1060 WAT O1 D -0.834000 15.9994 + 3179 SYS 1060 WAT H1 B 0.417000 1.0079 + 3180 SYS 1060 WAT H2 B 0.417000 1.0079 + 3181 SYS 1061 WAT O1 D -0.834000 15.9994 + 3182 SYS 1061 WAT H1 B 0.417000 1.0079 + 3183 SYS 1061 WAT H2 B 0.417000 1.0079 + 3184 SYS 1062 WAT O1 D -0.834000 15.9994 + 3185 SYS 1062 WAT H1 B 0.417000 1.0079 + 3186 SYS 1062 WAT H2 B 0.417000 1.0079 + 3187 SYS 1063 WAT O1 D -0.834000 15.9994 + 3188 SYS 1063 WAT H1 B 0.417000 1.0079 + 3189 SYS 1063 WAT H2 B 0.417000 1.0079 + 3190 SYS 1064 WAT O1 D -0.834000 15.9994 + 3191 SYS 1064 WAT H1 B 0.417000 1.0079 + 3192 SYS 1064 WAT H2 B 0.417000 1.0079 + 3193 SYS 1065 WAT O1 D -0.834000 15.9994 + 3194 SYS 1065 WAT H1 B 0.417000 1.0079 + 3195 SYS 1065 WAT H2 B 0.417000 1.0079 + 3196 SYS 1066 WAT O1 D -0.834000 15.9994 + 3197 SYS 1066 WAT H1 B 0.417000 1.0079 + 3198 SYS 1066 WAT H2 B 0.417000 1.0079 + 3199 SYS 1067 WAT O1 D -0.834000 15.9994 + 3200 SYS 1067 WAT H1 B 0.417000 1.0079 + 3201 SYS 1067 WAT H2 B 0.417000 1.0079 + 3202 SYS 1068 WAT O1 D -0.834000 15.9994 + 3203 SYS 1068 WAT H1 B 0.417000 1.0079 + 3204 SYS 1068 WAT H2 B 0.417000 1.0079 + 3205 SYS 1069 WAT O1 D -0.834000 15.9994 + 3206 SYS 1069 WAT H1 B 0.417000 1.0079 + 3207 SYS 1069 WAT H2 B 0.417000 1.0079 + 3208 SYS 1070 WAT O1 D -0.834000 15.9994 + 3209 SYS 1070 WAT H1 B 0.417000 1.0079 + 3210 SYS 1070 WAT H2 B 0.417000 1.0079 + 3211 SYS 1071 WAT O1 D -0.834000 15.9994 + 3212 SYS 1071 WAT H1 B 0.417000 1.0079 + 3213 SYS 1071 WAT H2 B 0.417000 1.0079 + 3214 SYS 1072 WAT O1 D -0.834000 15.9994 + 3215 SYS 1072 WAT H1 B 0.417000 1.0079 + 3216 SYS 1072 WAT H2 B 0.417000 1.0079 + 3217 SYS 1073 WAT O1 D -0.834000 15.9994 + 3218 SYS 1073 WAT H1 B 0.417000 1.0079 + 3219 SYS 1073 WAT H2 B 0.417000 1.0079 + 3220 SYS 1074 WAT O1 D -0.834000 15.9994 + 3221 SYS 1074 WAT H1 B 0.417000 1.0079 + 3222 SYS 1074 WAT H2 B 0.417000 1.0079 + 3223 SYS 1075 WAT O1 D -0.834000 15.9994 + 3224 SYS 1075 WAT H1 B 0.417000 1.0079 + 3225 SYS 1075 WAT H2 B 0.417000 1.0079 + 3226 SYS 1076 WAT O1 D -0.834000 15.9994 + 3227 SYS 1076 WAT H1 B 0.417000 1.0079 + 3228 SYS 1076 WAT H2 B 0.417000 1.0079 + 3229 SYS 1077 WAT O1 D -0.834000 15.9994 + 3230 SYS 1077 WAT H1 B 0.417000 1.0079 + 3231 SYS 1077 WAT H2 B 0.417000 1.0079 + 3232 SYS 1078 WAT O1 D -0.834000 15.9994 + 3233 SYS 1078 WAT H1 B 0.417000 1.0079 + 3234 SYS 1078 WAT H2 B 0.417000 1.0079 + 3235 SYS 1079 WAT O1 D -0.834000 15.9994 + 3236 SYS 1079 WAT H1 B 0.417000 1.0079 + 3237 SYS 1079 WAT H2 B 0.417000 1.0079 + 3238 SYS 1080 WAT O1 D -0.834000 15.9994 + 3239 SYS 1080 WAT H1 B 0.417000 1.0079 + 3240 SYS 1080 WAT H2 B 0.417000 1.0079 + 3241 SYS 1081 WAT O1 D -0.834000 15.9994 + 3242 SYS 1081 WAT H1 B 0.417000 1.0079 + 3243 SYS 1081 WAT H2 B 0.417000 1.0079 + 3244 SYS 1082 WAT O1 D -0.834000 15.9994 + 3245 SYS 1082 WAT H1 B 0.417000 1.0079 + 3246 SYS 1082 WAT H2 B 0.417000 1.0079 + 3247 SYS 1083 WAT O1 D -0.834000 15.9994 + 3248 SYS 1083 WAT H1 B 0.417000 1.0079 + 3249 SYS 1083 WAT H2 B 0.417000 1.0079 + 3250 SYS 1084 WAT O1 D -0.834000 15.9994 + 3251 SYS 1084 WAT H1 B 0.417000 1.0079 + 3252 SYS 1084 WAT H2 B 0.417000 1.0079 + 3253 SYS 1085 WAT O1 D -0.834000 15.9994 + 3254 SYS 1085 WAT H1 B 0.417000 1.0079 + 3255 SYS 1085 WAT H2 B 0.417000 1.0079 + 3256 SYS 1086 WAT O1 D -0.834000 15.9994 + 3257 SYS 1086 WAT H1 B 0.417000 1.0079 + 3258 SYS 1086 WAT H2 B 0.417000 1.0079 + 3259 SYS 1087 WAT O1 D -0.834000 15.9994 + 3260 SYS 1087 WAT H1 B 0.417000 1.0079 + 3261 SYS 1087 WAT H2 B 0.417000 1.0079 + 3262 SYS 1088 WAT O1 D -0.834000 15.9994 + 3263 SYS 1088 WAT H1 B 0.417000 1.0079 + 3264 SYS 1088 WAT H2 B 0.417000 1.0079 + 3265 SYS 1089 WAT O1 D -0.834000 15.9994 + 3266 SYS 1089 WAT H1 B 0.417000 1.0079 + 3267 SYS 1089 WAT H2 B 0.417000 1.0079 + 3268 SYS 1090 WAT O1 D -0.834000 15.9994 + 3269 SYS 1090 WAT H1 B 0.417000 1.0079 + 3270 SYS 1090 WAT H2 B 0.417000 1.0079 + 3271 SYS 1091 WAT O1 D -0.834000 15.9994 + 3272 SYS 1091 WAT H1 B 0.417000 1.0079 + 3273 SYS 1091 WAT H2 B 0.417000 1.0079 + 3274 SYS 1092 WAT O1 D -0.834000 15.9994 + 3275 SYS 1092 WAT H1 B 0.417000 1.0079 + 3276 SYS 1092 WAT H2 B 0.417000 1.0079 + 3277 SYS 1093 WAT O1 D -0.834000 15.9994 + 3278 SYS 1093 WAT H1 B 0.417000 1.0079 + 3279 SYS 1093 WAT H2 B 0.417000 1.0079 + 3280 SYS 1094 WAT O1 D -0.834000 15.9994 + 3281 SYS 1094 WAT H1 B 0.417000 1.0079 + 3282 SYS 1094 WAT H2 B 0.417000 1.0079 + 3283 SYS 1095 WAT O1 D -0.834000 15.9994 + 3284 SYS 1095 WAT H1 B 0.417000 1.0079 + 3285 SYS 1095 WAT H2 B 0.417000 1.0079 + 3286 SYS 1096 WAT O1 D -0.834000 15.9994 + 3287 SYS 1096 WAT H1 B 0.417000 1.0079 + 3288 SYS 1096 WAT H2 B 0.417000 1.0079 + 3289 SYS 1097 WAT O1 D -0.834000 15.9994 + 3290 SYS 1097 WAT H1 B 0.417000 1.0079 + 3291 SYS 1097 WAT H2 B 0.417000 1.0079 + 3292 SYS 1098 WAT O1 D -0.834000 15.9994 + 3293 SYS 1098 WAT H1 B 0.417000 1.0079 + 3294 SYS 1098 WAT H2 B 0.417000 1.0079 + 3295 SYS 1099 WAT O1 D -0.834000 15.9994 + 3296 SYS 1099 WAT H1 B 0.417000 1.0079 + 3297 SYS 1099 WAT H2 B 0.417000 1.0079 + 3298 SYS 1100 WAT O1 D -0.834000 15.9994 + 3299 SYS 1100 WAT H1 B 0.417000 1.0079 + 3300 SYS 1100 WAT H2 B 0.417000 1.0079 + 3301 SYS 1101 WAT O1 D -0.834000 15.9994 + 3302 SYS 1101 WAT H1 B 0.417000 1.0079 + 3303 SYS 1101 WAT H2 B 0.417000 1.0079 + 3304 SYS 1102 WAT O1 D -0.834000 15.9994 + 3305 SYS 1102 WAT H1 B 0.417000 1.0079 + 3306 SYS 1102 WAT H2 B 0.417000 1.0079 + 3307 SYS 1103 WAT O1 D -0.834000 15.9994 + 3308 SYS 1103 WAT H1 B 0.417000 1.0079 + 3309 SYS 1103 WAT H2 B 0.417000 1.0079 + 3310 SYS 1104 WAT O1 D -0.834000 15.9994 + 3311 SYS 1104 WAT H1 B 0.417000 1.0079 + 3312 SYS 1104 WAT H2 B 0.417000 1.0079 + 3313 SYS 1105 WAT O1 D -0.834000 15.9994 + 3314 SYS 1105 WAT H1 B 0.417000 1.0079 + 3315 SYS 1105 WAT H2 B 0.417000 1.0079 + 3316 SYS 1106 WAT O1 D -0.834000 15.9994 + 3317 SYS 1106 WAT H1 B 0.417000 1.0079 + 3318 SYS 1106 WAT H2 B 0.417000 1.0079 + 3319 SYS 1107 WAT O1 D -0.834000 15.9994 + 3320 SYS 1107 WAT H1 B 0.417000 1.0079 + 3321 SYS 1107 WAT H2 B 0.417000 1.0079 + 3322 SYS 1108 WAT O1 D -0.834000 15.9994 + 3323 SYS 1108 WAT H1 B 0.417000 1.0079 + 3324 SYS 1108 WAT H2 B 0.417000 1.0079 + 3325 SYS 1109 WAT O1 D -0.834000 15.9994 + 3326 SYS 1109 WAT H1 B 0.417000 1.0079 + 3327 SYS 1109 WAT H2 B 0.417000 1.0079 + 3328 SYS 1110 WAT O1 D -0.834000 15.9994 + 3329 SYS 1110 WAT H1 B 0.417000 1.0079 + 3330 SYS 1110 WAT H2 B 0.417000 1.0079 + 3331 SYS 1111 WAT O1 D -0.834000 15.9994 + 3332 SYS 1111 WAT H1 B 0.417000 1.0079 + 3333 SYS 1111 WAT H2 B 0.417000 1.0079 + 3334 SYS 1112 WAT O1 D -0.834000 15.9994 + 3335 SYS 1112 WAT H1 B 0.417000 1.0079 + 3336 SYS 1112 WAT H2 B 0.417000 1.0079 + 3337 SYS 1113 WAT O1 D -0.834000 15.9994 + 3338 SYS 1113 WAT H1 B 0.417000 1.0079 + 3339 SYS 1113 WAT H2 B 0.417000 1.0079 + 3340 SYS 1114 WAT O1 D -0.834000 15.9994 + 3341 SYS 1114 WAT H1 B 0.417000 1.0079 + 3342 SYS 1114 WAT H2 B 0.417000 1.0079 + 3343 SYS 1115 WAT O1 D -0.834000 15.9994 + 3344 SYS 1115 WAT H1 B 0.417000 1.0079 + 3345 SYS 1115 WAT H2 B 0.417000 1.0079 + 3346 SYS 1116 WAT O1 D -0.834000 15.9994 + 3347 SYS 1116 WAT H1 B 0.417000 1.0079 + 3348 SYS 1116 WAT H2 B 0.417000 1.0079 + 3349 SYS 1117 WAT O1 D -0.834000 15.9994 + 3350 SYS 1117 WAT H1 B 0.417000 1.0079 + 3351 SYS 1117 WAT H2 B 0.417000 1.0079 + 3352 SYS 1118 WAT O1 D -0.834000 15.9994 + 3353 SYS 1118 WAT H1 B 0.417000 1.0079 + 3354 SYS 1118 WAT H2 B 0.417000 1.0079 + 3355 SYS 1119 WAT O1 D -0.834000 15.9994 + 3356 SYS 1119 WAT H1 B 0.417000 1.0079 + 3357 SYS 1119 WAT H2 B 0.417000 1.0079 + 3358 SYS 1120 WAT O1 D -0.834000 15.9994 + 3359 SYS 1120 WAT H1 B 0.417000 1.0079 + 3360 SYS 1120 WAT H2 B 0.417000 1.0079 + 3361 SYS 1121 WAT O1 D -0.834000 15.9994 + 3362 SYS 1121 WAT H1 B 0.417000 1.0079 + 3363 SYS 1121 WAT H2 B 0.417000 1.0079 + 3364 SYS 1122 WAT O1 D -0.834000 15.9994 + 3365 SYS 1122 WAT H1 B 0.417000 1.0079 + 3366 SYS 1122 WAT H2 B 0.417000 1.0079 + 3367 SYS 1123 WAT O1 D -0.834000 15.9994 + 3368 SYS 1123 WAT H1 B 0.417000 1.0079 + 3369 SYS 1123 WAT H2 B 0.417000 1.0079 + 3370 SYS 1124 WAT O1 D -0.834000 15.9994 + 3371 SYS 1124 WAT H1 B 0.417000 1.0079 + 3372 SYS 1124 WAT H2 B 0.417000 1.0079 + 3373 SYS 1125 WAT O1 D -0.834000 15.9994 + 3374 SYS 1125 WAT H1 B 0.417000 1.0079 + 3375 SYS 1125 WAT H2 B 0.417000 1.0079 + 3376 SYS 1126 WAT O1 D -0.834000 15.9994 + 3377 SYS 1126 WAT H1 B 0.417000 1.0079 + 3378 SYS 1126 WAT H2 B 0.417000 1.0079 + 3379 SYS 1127 WAT O1 D -0.834000 15.9994 + 3380 SYS 1127 WAT H1 B 0.417000 1.0079 + 3381 SYS 1127 WAT H2 B 0.417000 1.0079 + 3382 SYS 1128 WAT O1 D -0.834000 15.9994 + 3383 SYS 1128 WAT H1 B 0.417000 1.0079 + 3384 SYS 1128 WAT H2 B 0.417000 1.0079 + 3385 SYS 1129 WAT O1 D -0.834000 15.9994 + 3386 SYS 1129 WAT H1 B 0.417000 1.0079 + 3387 SYS 1129 WAT H2 B 0.417000 1.0079 + 3388 SYS 1130 WAT O1 D -0.834000 15.9994 + 3389 SYS 1130 WAT H1 B 0.417000 1.0079 + 3390 SYS 1130 WAT H2 B 0.417000 1.0079 + 3391 SYS 1131 WAT O1 D -0.834000 15.9994 + 3392 SYS 1131 WAT H1 B 0.417000 1.0079 + 3393 SYS 1131 WAT H2 B 0.417000 1.0079 + 3394 SYS 1132 WAT O1 D -0.834000 15.9994 + 3395 SYS 1132 WAT H1 B 0.417000 1.0079 + 3396 SYS 1132 WAT H2 B 0.417000 1.0079 + 3397 SYS 1133 WAT O1 D -0.834000 15.9994 + 3398 SYS 1133 WAT H1 B 0.417000 1.0079 + 3399 SYS 1133 WAT H2 B 0.417000 1.0079 + 3400 SYS 1134 WAT O1 D -0.834000 15.9994 + 3401 SYS 1134 WAT H1 B 0.417000 1.0079 + 3402 SYS 1134 WAT H2 B 0.417000 1.0079 + 3403 SYS 1135 WAT O1 D -0.834000 15.9994 + 3404 SYS 1135 WAT H1 B 0.417000 1.0079 + 3405 SYS 1135 WAT H2 B 0.417000 1.0079 + 3406 SYS 1136 WAT O1 D -0.834000 15.9994 + 3407 SYS 1136 WAT H1 B 0.417000 1.0079 + 3408 SYS 1136 WAT H2 B 0.417000 1.0079 + 3409 SYS 1137 WAT O1 D -0.834000 15.9994 + 3410 SYS 1137 WAT H1 B 0.417000 1.0079 + 3411 SYS 1137 WAT H2 B 0.417000 1.0079 + 3412 SYS 1138 WAT O1 D -0.834000 15.9994 + 3413 SYS 1138 WAT H1 B 0.417000 1.0079 + 3414 SYS 1138 WAT H2 B 0.417000 1.0079 + 3415 SYS 1139 WAT O1 D -0.834000 15.9994 + 3416 SYS 1139 WAT H1 B 0.417000 1.0079 + 3417 SYS 1139 WAT H2 B 0.417000 1.0079 + 3418 SYS 1140 WAT O1 D -0.834000 15.9994 + 3419 SYS 1140 WAT H1 B 0.417000 1.0079 + 3420 SYS 1140 WAT H2 B 0.417000 1.0079 + 3421 SYS 1141 WAT O1 D -0.834000 15.9994 + 3422 SYS 1141 WAT H1 B 0.417000 1.0079 + 3423 SYS 1141 WAT H2 B 0.417000 1.0079 + 3424 SYS 1142 WAT O1 D -0.834000 15.9994 + 3425 SYS 1142 WAT H1 B 0.417000 1.0079 + 3426 SYS 1142 WAT H2 B 0.417000 1.0079 + 3427 SYS 1143 WAT O1 D -0.834000 15.9994 + 3428 SYS 1143 WAT H1 B 0.417000 1.0079 + 3429 SYS 1143 WAT H2 B 0.417000 1.0079 + 3430 SYS 1144 WAT O1 D -0.834000 15.9994 + 3431 SYS 1144 WAT H1 B 0.417000 1.0079 + 3432 SYS 1144 WAT H2 B 0.417000 1.0079 + 3433 SYS 1145 WAT O1 D -0.834000 15.9994 + 3434 SYS 1145 WAT H1 B 0.417000 1.0079 + 3435 SYS 1145 WAT H2 B 0.417000 1.0079 + 3436 SYS 1146 WAT O1 D -0.834000 15.9994 + 3437 SYS 1146 WAT H1 B 0.417000 1.0079 + 3438 SYS 1146 WAT H2 B 0.417000 1.0079 + 3439 SYS 1147 WAT O1 D -0.834000 15.9994 + 3440 SYS 1147 WAT H1 B 0.417000 1.0079 + 3441 SYS 1147 WAT H2 B 0.417000 1.0079 + 3442 SYS 1148 WAT O1 D -0.834000 15.9994 + 3443 SYS 1148 WAT H1 B 0.417000 1.0079 + 3444 SYS 1148 WAT H2 B 0.417000 1.0079 + 3445 SYS 1149 WAT O1 D -0.834000 15.9994 + 3446 SYS 1149 WAT H1 B 0.417000 1.0079 + 3447 SYS 1149 WAT H2 B 0.417000 1.0079 + 3448 SYS 1150 WAT O1 D -0.834000 15.9994 + 3449 SYS 1150 WAT H1 B 0.417000 1.0079 + 3450 SYS 1150 WAT H2 B 0.417000 1.0079 + 3451 SYS 1151 WAT O1 D -0.834000 15.9994 + 3452 SYS 1151 WAT H1 B 0.417000 1.0079 + 3453 SYS 1151 WAT H2 B 0.417000 1.0079 + 3454 SYS 1152 WAT O1 D -0.834000 15.9994 + 3455 SYS 1152 WAT H1 B 0.417000 1.0079 + 3456 SYS 1152 WAT H2 B 0.417000 1.0079 + 3457 SYS 1153 WAT O1 D -0.834000 15.9994 + 3458 SYS 1153 WAT H1 B 0.417000 1.0079 + 3459 SYS 1153 WAT H2 B 0.417000 1.0079 + 3460 SYS 1154 WAT O1 D -0.834000 15.9994 + 3461 SYS 1154 WAT H1 B 0.417000 1.0079 + 3462 SYS 1154 WAT H2 B 0.417000 1.0079 + 3463 SYS 1155 WAT O1 D -0.834000 15.9994 + 3464 SYS 1155 WAT H1 B 0.417000 1.0079 + 3465 SYS 1155 WAT H2 B 0.417000 1.0079 + 3466 SYS 1156 WAT O1 D -0.834000 15.9994 + 3467 SYS 1156 WAT H1 B 0.417000 1.0079 + 3468 SYS 1156 WAT H2 B 0.417000 1.0079 + 3469 SYS 1157 WAT O1 D -0.834000 15.9994 + 3470 SYS 1157 WAT H1 B 0.417000 1.0079 + 3471 SYS 1157 WAT H2 B 0.417000 1.0079 + 3472 SYS 1158 WAT O1 D -0.834000 15.9994 + 3473 SYS 1158 WAT H1 B 0.417000 1.0079 + 3474 SYS 1158 WAT H2 B 0.417000 1.0079 + 3475 SYS 1159 WAT O1 D -0.834000 15.9994 + 3476 SYS 1159 WAT H1 B 0.417000 1.0079 + 3477 SYS 1159 WAT H2 B 0.417000 1.0079 + 3478 SYS 1160 WAT O1 D -0.834000 15.9994 + 3479 SYS 1160 WAT H1 B 0.417000 1.0079 + 3480 SYS 1160 WAT H2 B 0.417000 1.0079 + 3481 SYS 1161 WAT O1 D -0.834000 15.9994 + 3482 SYS 1161 WAT H1 B 0.417000 1.0079 + 3483 SYS 1161 WAT H2 B 0.417000 1.0079 + 3484 SYS 1162 WAT O1 D -0.834000 15.9994 + 3485 SYS 1162 WAT H1 B 0.417000 1.0079 + 3486 SYS 1162 WAT H2 B 0.417000 1.0079 + 3487 SYS 1163 WAT O1 D -0.834000 15.9994 + 3488 SYS 1163 WAT H1 B 0.417000 1.0079 + 3489 SYS 1163 WAT H2 B 0.417000 1.0079 + 3490 SYS 1164 WAT O1 D -0.834000 15.9994 + 3491 SYS 1164 WAT H1 B 0.417000 1.0079 + 3492 SYS 1164 WAT H2 B 0.417000 1.0079 + 3493 SYS 1165 WAT O1 D -0.834000 15.9994 + 3494 SYS 1165 WAT H1 B 0.417000 1.0079 + 3495 SYS 1165 WAT H2 B 0.417000 1.0079 + 3496 SYS 1166 WAT O1 D -0.834000 15.9994 + 3497 SYS 1166 WAT H1 B 0.417000 1.0079 + 3498 SYS 1166 WAT H2 B 0.417000 1.0079 + 3499 SYS 1167 WAT O1 D -0.834000 15.9994 + 3500 SYS 1167 WAT H1 B 0.417000 1.0079 + 3501 SYS 1167 WAT H2 B 0.417000 1.0079 + 3502 SYS 1168 WAT O1 D -0.834000 15.9994 + 3503 SYS 1168 WAT H1 B 0.417000 1.0079 + 3504 SYS 1168 WAT H2 B 0.417000 1.0079 + 3505 SYS 1169 WAT O1 D -0.834000 15.9994 + 3506 SYS 1169 WAT H1 B 0.417000 1.0079 + 3507 SYS 1169 WAT H2 B 0.417000 1.0079 + 3508 SYS 1170 WAT O1 D -0.834000 15.9994 + 3509 SYS 1170 WAT H1 B 0.417000 1.0079 + 3510 SYS 1170 WAT H2 B 0.417000 1.0079 + 3511 SYS 1171 WAT O1 D -0.834000 15.9994 + 3512 SYS 1171 WAT H1 B 0.417000 1.0079 + 3513 SYS 1171 WAT H2 B 0.417000 1.0079 + 3514 SYS 1172 WAT O1 D -0.834000 15.9994 + 3515 SYS 1172 WAT H1 B 0.417000 1.0079 + 3516 SYS 1172 WAT H2 B 0.417000 1.0079 + 3517 SYS 1173 WAT O1 D -0.834000 15.9994 + 3518 SYS 1173 WAT H1 B 0.417000 1.0079 + 3519 SYS 1173 WAT H2 B 0.417000 1.0079 + 3520 SYS 1174 WAT O1 D -0.834000 15.9994 + 3521 SYS 1174 WAT H1 B 0.417000 1.0079 + 3522 SYS 1174 WAT H2 B 0.417000 1.0079 + 3523 SYS 1175 WAT O1 D -0.834000 15.9994 + 3524 SYS 1175 WAT H1 B 0.417000 1.0079 + 3525 SYS 1175 WAT H2 B 0.417000 1.0079 + 3526 SYS 1176 WAT O1 D -0.834000 15.9994 + 3527 SYS 1176 WAT H1 B 0.417000 1.0079 + 3528 SYS 1176 WAT H2 B 0.417000 1.0079 + 3529 SYS 1177 WAT O1 D -0.834000 15.9994 + 3530 SYS 1177 WAT H1 B 0.417000 1.0079 + 3531 SYS 1177 WAT H2 B 0.417000 1.0079 + 3532 SYS 1178 WAT O1 D -0.834000 15.9994 + 3533 SYS 1178 WAT H1 B 0.417000 1.0079 + 3534 SYS 1178 WAT H2 B 0.417000 1.0079 + 3535 SYS 1179 WAT O1 D -0.834000 15.9994 + 3536 SYS 1179 WAT H1 B 0.417000 1.0079 + 3537 SYS 1179 WAT H2 B 0.417000 1.0079 + 3538 SYS 1180 WAT O1 D -0.834000 15.9994 + 3539 SYS 1180 WAT H1 B 0.417000 1.0079 + 3540 SYS 1180 WAT H2 B 0.417000 1.0079 + 3541 SYS 1181 WAT O1 D -0.834000 15.9994 + 3542 SYS 1181 WAT H1 B 0.417000 1.0079 + 3543 SYS 1181 WAT H2 B 0.417000 1.0079 + 3544 SYS 1182 WAT O1 D -0.834000 15.9994 + 3545 SYS 1182 WAT H1 B 0.417000 1.0079 + 3546 SYS 1182 WAT H2 B 0.417000 1.0079 + 3547 SYS 1183 WAT O1 D -0.834000 15.9994 + 3548 SYS 1183 WAT H1 B 0.417000 1.0079 + 3549 SYS 1183 WAT H2 B 0.417000 1.0079 + 3550 SYS 1184 WAT O1 D -0.834000 15.9994 + 3551 SYS 1184 WAT H1 B 0.417000 1.0079 + 3552 SYS 1184 WAT H2 B 0.417000 1.0079 + 3553 SYS 1185 WAT O1 D -0.834000 15.9994 + 3554 SYS 1185 WAT H1 B 0.417000 1.0079 + 3555 SYS 1185 WAT H2 B 0.417000 1.0079 + 3556 SYS 1186 WAT O1 D -0.834000 15.9994 + 3557 SYS 1186 WAT H1 B 0.417000 1.0079 + 3558 SYS 1186 WAT H2 B 0.417000 1.0079 + 3559 SYS 1187 WAT O1 D -0.834000 15.9994 + 3560 SYS 1187 WAT H1 B 0.417000 1.0079 + 3561 SYS 1187 WAT H2 B 0.417000 1.0079 + 3562 SYS 1188 WAT O1 D -0.834000 15.9994 + 3563 SYS 1188 WAT H1 B 0.417000 1.0079 + 3564 SYS 1188 WAT H2 B 0.417000 1.0079 + 3565 SYS 1189 WAT O1 D -0.834000 15.9994 + 3566 SYS 1189 WAT H1 B 0.417000 1.0079 + 3567 SYS 1189 WAT H2 B 0.417000 1.0079 + 3568 SYS 1190 WAT O1 D -0.834000 15.9994 + 3569 SYS 1190 WAT H1 B 0.417000 1.0079 + 3570 SYS 1190 WAT H2 B 0.417000 1.0079 + 3571 SYS 1191 WAT O1 D -0.834000 15.9994 + 3572 SYS 1191 WAT H1 B 0.417000 1.0079 + 3573 SYS 1191 WAT H2 B 0.417000 1.0079 + 3574 SYS 1192 WAT O1 D -0.834000 15.9994 + 3575 SYS 1192 WAT H1 B 0.417000 1.0079 + 3576 SYS 1192 WAT H2 B 0.417000 1.0079 + 3577 SYS 1193 WAT O1 D -0.834000 15.9994 + 3578 SYS 1193 WAT H1 B 0.417000 1.0079 + 3579 SYS 1193 WAT H2 B 0.417000 1.0079 + 3580 SYS 1194 WAT O1 D -0.834000 15.9994 + 3581 SYS 1194 WAT H1 B 0.417000 1.0079 + 3582 SYS 1194 WAT H2 B 0.417000 1.0079 + 3583 SYS 1195 WAT O1 D -0.834000 15.9994 + 3584 SYS 1195 WAT H1 B 0.417000 1.0079 + 3585 SYS 1195 WAT H2 B 0.417000 1.0079 + 3586 SYS 1196 WAT O1 D -0.834000 15.9994 + 3587 SYS 1196 WAT H1 B 0.417000 1.0079 + 3588 SYS 1196 WAT H2 B 0.417000 1.0079 + 3589 SYS 1197 WAT O1 D -0.834000 15.9994 + 3590 SYS 1197 WAT H1 B 0.417000 1.0079 + 3591 SYS 1197 WAT H2 B 0.417000 1.0079 + 3592 SYS 1198 WAT O1 D -0.834000 15.9994 + 3593 SYS 1198 WAT H1 B 0.417000 1.0079 + 3594 SYS 1198 WAT H2 B 0.417000 1.0079 + 3595 SYS 1199 WAT O1 D -0.834000 15.9994 + 3596 SYS 1199 WAT H1 B 0.417000 1.0079 + 3597 SYS 1199 WAT H2 B 0.417000 1.0079 + 3598 SYS 1200 WAT O1 D -0.834000 15.9994 + 3599 SYS 1200 WAT H1 B 0.417000 1.0079 + 3600 SYS 1200 WAT H2 B 0.417000 1.0079 + 3601 SYS 1201 WAT O1 D -0.834000 15.9994 + 3602 SYS 1201 WAT H1 B 0.417000 1.0079 + 3603 SYS 1201 WAT H2 B 0.417000 1.0079 + 3604 SYS 1202 WAT O1 D -0.834000 15.9994 + 3605 SYS 1202 WAT H1 B 0.417000 1.0079 + 3606 SYS 1202 WAT H2 B 0.417000 1.0079 + 3607 SYS 1203 WAT O1 D -0.834000 15.9994 + 3608 SYS 1203 WAT H1 B 0.417000 1.0079 + 3609 SYS 1203 WAT H2 B 0.417000 1.0079 + 3610 SYS 1204 WAT O1 D -0.834000 15.9994 + 3611 SYS 1204 WAT H1 B 0.417000 1.0079 + 3612 SYS 1204 WAT H2 B 0.417000 1.0079 + 3613 SYS 1205 WAT O1 D -0.834000 15.9994 + 3614 SYS 1205 WAT H1 B 0.417000 1.0079 + 3615 SYS 1205 WAT H2 B 0.417000 1.0079 + 3616 SYS 1206 WAT O1 D -0.834000 15.9994 + 3617 SYS 1206 WAT H1 B 0.417000 1.0079 + 3618 SYS 1206 WAT H2 B 0.417000 1.0079 + 3619 SYS 1207 WAT O1 D -0.834000 15.9994 + 3620 SYS 1207 WAT H1 B 0.417000 1.0079 + 3621 SYS 1207 WAT H2 B 0.417000 1.0079 + 3622 SYS 1208 WAT O1 D -0.834000 15.9994 + 3623 SYS 1208 WAT H1 B 0.417000 1.0079 + 3624 SYS 1208 WAT H2 B 0.417000 1.0079 + 3625 SYS 1209 WAT O1 D -0.834000 15.9994 + 3626 SYS 1209 WAT H1 B 0.417000 1.0079 + 3627 SYS 1209 WAT H2 B 0.417000 1.0079 + 3628 SYS 1210 WAT O1 D -0.834000 15.9994 + 3629 SYS 1210 WAT H1 B 0.417000 1.0079 + 3630 SYS 1210 WAT H2 B 0.417000 1.0079 + 3631 SYS 1211 WAT O1 D -0.834000 15.9994 + 3632 SYS 1211 WAT H1 B 0.417000 1.0079 + 3633 SYS 1211 WAT H2 B 0.417000 1.0079 + 3634 SYS 1212 WAT O1 D -0.834000 15.9994 + 3635 SYS 1212 WAT H1 B 0.417000 1.0079 + 3636 SYS 1212 WAT H2 B 0.417000 1.0079 + 3637 SYS 1213 WAT O1 D -0.834000 15.9994 + 3638 SYS 1213 WAT H1 B 0.417000 1.0079 + 3639 SYS 1213 WAT H2 B 0.417000 1.0079 + 3640 SYS 1214 WAT O1 D -0.834000 15.9994 + 3641 SYS 1214 WAT H1 B 0.417000 1.0079 + 3642 SYS 1214 WAT H2 B 0.417000 1.0079 + 3643 SYS 1215 WAT O1 D -0.834000 15.9994 + 3644 SYS 1215 WAT H1 B 0.417000 1.0079 + 3645 SYS 1215 WAT H2 B 0.417000 1.0079 + 3646 SYS 1216 WAT O1 D -0.834000 15.9994 + 3647 SYS 1216 WAT H1 B 0.417000 1.0079 + 3648 SYS 1216 WAT H2 B 0.417000 1.0079 + 3649 SYS 1217 WAT O1 D -0.834000 15.9994 + 3650 SYS 1217 WAT H1 B 0.417000 1.0079 + 3651 SYS 1217 WAT H2 B 0.417000 1.0079 + 3652 SYS 1218 WAT O1 D -0.834000 15.9994 + 3653 SYS 1218 WAT H1 B 0.417000 1.0079 + 3654 SYS 1218 WAT H2 B 0.417000 1.0079 + 3655 SYS 1219 WAT O1 D -0.834000 15.9994 + 3656 SYS 1219 WAT H1 B 0.417000 1.0079 + 3657 SYS 1219 WAT H2 B 0.417000 1.0079 + 3658 SYS 1220 WAT O1 D -0.834000 15.9994 + 3659 SYS 1220 WAT H1 B 0.417000 1.0079 + 3660 SYS 1220 WAT H2 B 0.417000 1.0079 + 3661 SYS 1221 WAT O1 D -0.834000 15.9994 + 3662 SYS 1221 WAT H1 B 0.417000 1.0079 + 3663 SYS 1221 WAT H2 B 0.417000 1.0079 + 3664 SYS 1222 WAT O1 D -0.834000 15.9994 + 3665 SYS 1222 WAT H1 B 0.417000 1.0079 + 3666 SYS 1222 WAT H2 B 0.417000 1.0079 + 3667 SYS 1223 WAT O1 D -0.834000 15.9994 + 3668 SYS 1223 WAT H1 B 0.417000 1.0079 + 3669 SYS 1223 WAT H2 B 0.417000 1.0079 + 3670 SYS 1224 WAT O1 D -0.834000 15.9994 + 3671 SYS 1224 WAT H1 B 0.417000 1.0079 + 3672 SYS 1224 WAT H2 B 0.417000 1.0079 + 3673 SYS 1225 WAT O1 D -0.834000 15.9994 + 3674 SYS 1225 WAT H1 B 0.417000 1.0079 + 3675 SYS 1225 WAT H2 B 0.417000 1.0079 + 3676 SYS 1226 WAT O1 D -0.834000 15.9994 + 3677 SYS 1226 WAT H1 B 0.417000 1.0079 + 3678 SYS 1226 WAT H2 B 0.417000 1.0079 + 3679 SYS 1227 WAT O1 D -0.834000 15.9994 + 3680 SYS 1227 WAT H1 B 0.417000 1.0079 + 3681 SYS 1227 WAT H2 B 0.417000 1.0079 + 3682 SYS 1228 WAT O1 D -0.834000 15.9994 + 3683 SYS 1228 WAT H1 B 0.417000 1.0079 + 3684 SYS 1228 WAT H2 B 0.417000 1.0079 + 3685 SYS 1229 WAT O1 D -0.834000 15.9994 + 3686 SYS 1229 WAT H1 B 0.417000 1.0079 + 3687 SYS 1229 WAT H2 B 0.417000 1.0079 + 3688 SYS 1230 WAT O1 D -0.834000 15.9994 + 3689 SYS 1230 WAT H1 B 0.417000 1.0079 + 3690 SYS 1230 WAT H2 B 0.417000 1.0079 + 3691 SYS 1231 WAT O1 D -0.834000 15.9994 + 3692 SYS 1231 WAT H1 B 0.417000 1.0079 + 3693 SYS 1231 WAT H2 B 0.417000 1.0079 + 3694 SYS 1232 WAT O1 D -0.834000 15.9994 + 3695 SYS 1232 WAT H1 B 0.417000 1.0079 + 3696 SYS 1232 WAT H2 B 0.417000 1.0079 + 3697 SYS 1233 WAT O1 D -0.834000 15.9994 + 3698 SYS 1233 WAT H1 B 0.417000 1.0079 + 3699 SYS 1233 WAT H2 B 0.417000 1.0079 + 3700 SYS 1234 WAT O1 D -0.834000 15.9994 + 3701 SYS 1234 WAT H1 B 0.417000 1.0079 + 3702 SYS 1234 WAT H2 B 0.417000 1.0079 + 3703 SYS 1235 WAT O1 D -0.834000 15.9994 + 3704 SYS 1235 WAT H1 B 0.417000 1.0079 + 3705 SYS 1235 WAT H2 B 0.417000 1.0079 + 3706 SYS 1236 WAT O1 D -0.834000 15.9994 + 3707 SYS 1236 WAT H1 B 0.417000 1.0079 + 3708 SYS 1236 WAT H2 B 0.417000 1.0079 + 3709 SYS 1237 WAT O1 D -0.834000 15.9994 + 3710 SYS 1237 WAT H1 B 0.417000 1.0079 + 3711 SYS 1237 WAT H2 B 0.417000 1.0079 + 3712 SYS 1238 WAT O1 D -0.834000 15.9994 + 3713 SYS 1238 WAT H1 B 0.417000 1.0079 + 3714 SYS 1238 WAT H2 B 0.417000 1.0079 + 3715 SYS 1239 WAT O1 D -0.834000 15.9994 + 3716 SYS 1239 WAT H1 B 0.417000 1.0079 + 3717 SYS 1239 WAT H2 B 0.417000 1.0079 + 3718 SYS 1240 WAT O1 D -0.834000 15.9994 + 3719 SYS 1240 WAT H1 B 0.417000 1.0079 + 3720 SYS 1240 WAT H2 B 0.417000 1.0079 + 3721 SYS 1241 WAT O1 D -0.834000 15.9994 + 3722 SYS 1241 WAT H1 B 0.417000 1.0079 + 3723 SYS 1241 WAT H2 B 0.417000 1.0079 + 3724 SYS 1242 WAT O1 D -0.834000 15.9994 + 3725 SYS 1242 WAT H1 B 0.417000 1.0079 + 3726 SYS 1242 WAT H2 B 0.417000 1.0079 + 3727 SYS 1243 WAT O1 D -0.834000 15.9994 + 3728 SYS 1243 WAT H1 B 0.417000 1.0079 + 3729 SYS 1243 WAT H2 B 0.417000 1.0079 + 3730 SYS 1244 WAT O1 D -0.834000 15.9994 + 3731 SYS 1244 WAT H1 B 0.417000 1.0079 + 3732 SYS 1244 WAT H2 B 0.417000 1.0079 + 3733 SYS 1245 WAT O1 D -0.834000 15.9994 + 3734 SYS 1245 WAT H1 B 0.417000 1.0079 + 3735 SYS 1245 WAT H2 B 0.417000 1.0079 + 3736 SYS 1246 WAT O1 D -0.834000 15.9994 + 3737 SYS 1246 WAT H1 B 0.417000 1.0079 + 3738 SYS 1246 WAT H2 B 0.417000 1.0079 + 3739 SYS 1247 WAT O1 D -0.834000 15.9994 + 3740 SYS 1247 WAT H1 B 0.417000 1.0079 + 3741 SYS 1247 WAT H2 B 0.417000 1.0079 + 3742 SYS 1248 WAT O1 D -0.834000 15.9994 + 3743 SYS 1248 WAT H1 B 0.417000 1.0079 + 3744 SYS 1248 WAT H2 B 0.417000 1.0079 + 3745 SYS 1249 WAT O1 D -0.834000 15.9994 + 3746 SYS 1249 WAT H1 B 0.417000 1.0079 + 3747 SYS 1249 WAT H2 B 0.417000 1.0079 + 3748 SYS 1250 WAT O1 D -0.834000 15.9994 + 3749 SYS 1250 WAT H1 B 0.417000 1.0079 + 3750 SYS 1250 WAT H2 B 0.417000 1.0079 + 3751 SYS 1251 WAT O1 D -0.834000 15.9994 + 3752 SYS 1251 WAT H1 B 0.417000 1.0079 + 3753 SYS 1251 WAT H2 B 0.417000 1.0079 + 3754 SYS 1252 WAT O1 D -0.834000 15.9994 + 3755 SYS 1252 WAT H1 B 0.417000 1.0079 + 3756 SYS 1252 WAT H2 B 0.417000 1.0079 + 3757 SYS 1253 WAT O1 D -0.834000 15.9994 + 3758 SYS 1253 WAT H1 B 0.417000 1.0079 + 3759 SYS 1253 WAT H2 B 0.417000 1.0079 + 3760 SYS 1254 WAT O1 D -0.834000 15.9994 + 3761 SYS 1254 WAT H1 B 0.417000 1.0079 + 3762 SYS 1254 WAT H2 B 0.417000 1.0079 + 3763 SYS 1255 WAT O1 D -0.834000 15.9994 + 3764 SYS 1255 WAT H1 B 0.417000 1.0079 + 3765 SYS 1255 WAT H2 B 0.417000 1.0079 + 3766 SYS 1256 WAT O1 D -0.834000 15.9994 + 3767 SYS 1256 WAT H1 B 0.417000 1.0079 + 3768 SYS 1256 WAT H2 B 0.417000 1.0079 + 3769 SYS 1257 WAT O1 D -0.834000 15.9994 + 3770 SYS 1257 WAT H1 B 0.417000 1.0079 + 3771 SYS 1257 WAT H2 B 0.417000 1.0079 + 3772 SYS 1258 WAT O1 D -0.834000 15.9994 + 3773 SYS 1258 WAT H1 B 0.417000 1.0079 + 3774 SYS 1258 WAT H2 B 0.417000 1.0079 + 3775 SYS 1259 WAT O1 D -0.834000 15.9994 + 3776 SYS 1259 WAT H1 B 0.417000 1.0079 + 3777 SYS 1259 WAT H2 B 0.417000 1.0079 + 3778 SYS 1260 WAT O1 D -0.834000 15.9994 + 3779 SYS 1260 WAT H1 B 0.417000 1.0079 + 3780 SYS 1260 WAT H2 B 0.417000 1.0079 + 3781 SYS 1261 WAT O1 D -0.834000 15.9994 + 3782 SYS 1261 WAT H1 B 0.417000 1.0079 + 3783 SYS 1261 WAT H2 B 0.417000 1.0079 + 3784 SYS 1262 WAT O1 D -0.834000 15.9994 + 3785 SYS 1262 WAT H1 B 0.417000 1.0079 + 3786 SYS 1262 WAT H2 B 0.417000 1.0079 + 3787 SYS 1263 WAT O1 D -0.834000 15.9994 + 3788 SYS 1263 WAT H1 B 0.417000 1.0079 + 3789 SYS 1263 WAT H2 B 0.417000 1.0079 + 3790 SYS 1264 WAT O1 D -0.834000 15.9994 + 3791 SYS 1264 WAT H1 B 0.417000 1.0079 + 3792 SYS 1264 WAT H2 B 0.417000 1.0079 + 3793 SYS 1265 WAT O1 D -0.834000 15.9994 + 3794 SYS 1265 WAT H1 B 0.417000 1.0079 + 3795 SYS 1265 WAT H2 B 0.417000 1.0079 + 3796 SYS 1266 WAT O1 D -0.834000 15.9994 + 3797 SYS 1266 WAT H1 B 0.417000 1.0079 + 3798 SYS 1266 WAT H2 B 0.417000 1.0079 + 3799 SYS 1267 WAT O1 D -0.834000 15.9994 + 3800 SYS 1267 WAT H1 B 0.417000 1.0079 + 3801 SYS 1267 WAT H2 B 0.417000 1.0079 + 3802 SYS 1268 WAT O1 D -0.834000 15.9994 + 3803 SYS 1268 WAT H1 B 0.417000 1.0079 + 3804 SYS 1268 WAT H2 B 0.417000 1.0079 + 3805 SYS 1269 WAT O1 D -0.834000 15.9994 + 3806 SYS 1269 WAT H1 B 0.417000 1.0079 + 3807 SYS 1269 WAT H2 B 0.417000 1.0079 + 3808 SYS 1270 WAT O1 D -0.834000 15.9994 + 3809 SYS 1270 WAT H1 B 0.417000 1.0079 + 3810 SYS 1270 WAT H2 B 0.417000 1.0079 + 3811 SYS 1271 WAT O1 D -0.834000 15.9994 + 3812 SYS 1271 WAT H1 B 0.417000 1.0079 + 3813 SYS 1271 WAT H2 B 0.417000 1.0079 + 3814 SYS 1272 WAT O1 D -0.834000 15.9994 + 3815 SYS 1272 WAT H1 B 0.417000 1.0079 + 3816 SYS 1272 WAT H2 B 0.417000 1.0079 + 3817 SYS 1273 WAT O1 D -0.834000 15.9994 + 3818 SYS 1273 WAT H1 B 0.417000 1.0079 + 3819 SYS 1273 WAT H2 B 0.417000 1.0079 + 3820 SYS 1274 WAT O1 D -0.834000 15.9994 + 3821 SYS 1274 WAT H1 B 0.417000 1.0079 + 3822 SYS 1274 WAT H2 B 0.417000 1.0079 + 3823 SYS 1275 WAT O1 D -0.834000 15.9994 + 3824 SYS 1275 WAT H1 B 0.417000 1.0079 + 3825 SYS 1275 WAT H2 B 0.417000 1.0079 + 3826 SYS 1276 WAT O1 D -0.834000 15.9994 + 3827 SYS 1276 WAT H1 B 0.417000 1.0079 + 3828 SYS 1276 WAT H2 B 0.417000 1.0079 + 3829 SYS 1277 WAT O1 D -0.834000 15.9994 + 3830 SYS 1277 WAT H1 B 0.417000 1.0079 + 3831 SYS 1277 WAT H2 B 0.417000 1.0079 + 3832 SYS 1278 WAT O1 D -0.834000 15.9994 + 3833 SYS 1278 WAT H1 B 0.417000 1.0079 + 3834 SYS 1278 WAT H2 B 0.417000 1.0079 + 3835 SYS 1279 WAT O1 D -0.834000 15.9994 + 3836 SYS 1279 WAT H1 B 0.417000 1.0079 + 3837 SYS 1279 WAT H2 B 0.417000 1.0079 + 3838 SYS 1280 WAT O1 D -0.834000 15.9994 + 3839 SYS 1280 WAT H1 B 0.417000 1.0079 + 3840 SYS 1280 WAT H2 B 0.417000 1.0079 + 3841 SYS 1281 WAT O1 D -0.834000 15.9994 + 3842 SYS 1281 WAT H1 B 0.417000 1.0079 + 3843 SYS 1281 WAT H2 B 0.417000 1.0079 + 3844 SYS 1282 WAT O1 D -0.834000 15.9994 + 3845 SYS 1282 WAT H1 B 0.417000 1.0079 + 3846 SYS 1282 WAT H2 B 0.417000 1.0079 + 3847 SYS 1283 WAT O1 D -0.834000 15.9994 + 3848 SYS 1283 WAT H1 B 0.417000 1.0079 + 3849 SYS 1283 WAT H2 B 0.417000 1.0079 + 3850 SYS 1284 WAT O1 D -0.834000 15.9994 + 3851 SYS 1284 WAT H1 B 0.417000 1.0079 + 3852 SYS 1284 WAT H2 B 0.417000 1.0079 + 3853 SYS 1285 WAT O1 D -0.834000 15.9994 + 3854 SYS 1285 WAT H1 B 0.417000 1.0079 + 3855 SYS 1285 WAT H2 B 0.417000 1.0079 + 3856 SYS 1286 WAT O1 D -0.834000 15.9994 + 3857 SYS 1286 WAT H1 B 0.417000 1.0079 + 3858 SYS 1286 WAT H2 B 0.417000 1.0079 + 3859 SYS 1287 WAT O1 D -0.834000 15.9994 + 3860 SYS 1287 WAT H1 B 0.417000 1.0079 + 3861 SYS 1287 WAT H2 B 0.417000 1.0079 + 3862 SYS 1288 WAT O1 D -0.834000 15.9994 + 3863 SYS 1288 WAT H1 B 0.417000 1.0079 + 3864 SYS 1288 WAT H2 B 0.417000 1.0079 + 3865 SYS 1289 WAT O1 D -0.834000 15.9994 + 3866 SYS 1289 WAT H1 B 0.417000 1.0079 + 3867 SYS 1289 WAT H2 B 0.417000 1.0079 + 3868 SYS 1290 WAT O1 D -0.834000 15.9994 + 3869 SYS 1290 WAT H1 B 0.417000 1.0079 + 3870 SYS 1290 WAT H2 B 0.417000 1.0079 + 3871 SYS 1291 WAT O1 D -0.834000 15.9994 + 3872 SYS 1291 WAT H1 B 0.417000 1.0079 + 3873 SYS 1291 WAT H2 B 0.417000 1.0079 + 3874 SYS 1292 WAT O1 D -0.834000 15.9994 + 3875 SYS 1292 WAT H1 B 0.417000 1.0079 + 3876 SYS 1292 WAT H2 B 0.417000 1.0079 + 3877 SYS 1293 WAT O1 D -0.834000 15.9994 + 3878 SYS 1293 WAT H1 B 0.417000 1.0079 + 3879 SYS 1293 WAT H2 B 0.417000 1.0079 + 3880 SYS 1294 WAT O1 D -0.834000 15.9994 + 3881 SYS 1294 WAT H1 B 0.417000 1.0079 + 3882 SYS 1294 WAT H2 B 0.417000 1.0079 + 3883 SYS 1295 WAT O1 D -0.834000 15.9994 + 3884 SYS 1295 WAT H1 B 0.417000 1.0079 + 3885 SYS 1295 WAT H2 B 0.417000 1.0079 + 3886 SYS 1296 WAT O1 D -0.834000 15.9994 + 3887 SYS 1296 WAT H1 B 0.417000 1.0079 + 3888 SYS 1296 WAT H2 B 0.417000 1.0079 + 3889 SYS 1297 WAT O1 D -0.834000 15.9994 + 3890 SYS 1297 WAT H1 B 0.417000 1.0079 + 3891 SYS 1297 WAT H2 B 0.417000 1.0079 + 3892 SYS 1298 WAT O1 D -0.834000 15.9994 + 3893 SYS 1298 WAT H1 B 0.417000 1.0079 + 3894 SYS 1298 WAT H2 B 0.417000 1.0079 + 3895 SYS 1299 WAT O1 D -0.834000 15.9994 + 3896 SYS 1299 WAT H1 B 0.417000 1.0079 + 3897 SYS 1299 WAT H2 B 0.417000 1.0079 + 3898 SYS 1300 WAT O1 D -0.834000 15.9994 + 3899 SYS 1300 WAT H1 B 0.417000 1.0079 + 3900 SYS 1300 WAT H2 B 0.417000 1.0079 + 3901 SYS 1301 WAT O1 D -0.834000 15.9994 + 3902 SYS 1301 WAT H1 B 0.417000 1.0079 + 3903 SYS 1301 WAT H2 B 0.417000 1.0079 + 3904 SYS 1302 WAT O1 D -0.834000 15.9994 + 3905 SYS 1302 WAT H1 B 0.417000 1.0079 + 3906 SYS 1302 WAT H2 B 0.417000 1.0079 + 3907 SYS 1303 WAT O1 D -0.834000 15.9994 + 3908 SYS 1303 WAT H1 B 0.417000 1.0079 + 3909 SYS 1303 WAT H2 B 0.417000 1.0079 + 3910 SYS 1304 WAT O1 D -0.834000 15.9994 + 3911 SYS 1304 WAT H1 B 0.417000 1.0079 + 3912 SYS 1304 WAT H2 B 0.417000 1.0079 + 3913 SYS 1305 WAT O1 D -0.834000 15.9994 + 3914 SYS 1305 WAT H1 B 0.417000 1.0079 + 3915 SYS 1305 WAT H2 B 0.417000 1.0079 + 3916 SYS 1306 WAT O1 D -0.834000 15.9994 + 3917 SYS 1306 WAT H1 B 0.417000 1.0079 + 3918 SYS 1306 WAT H2 B 0.417000 1.0079 + 3919 SYS 1307 WAT O1 D -0.834000 15.9994 + 3920 SYS 1307 WAT H1 B 0.417000 1.0079 + 3921 SYS 1307 WAT H2 B 0.417000 1.0079 + 3922 SYS 1308 WAT O1 D -0.834000 15.9994 + 3923 SYS 1308 WAT H1 B 0.417000 1.0079 + 3924 SYS 1308 WAT H2 B 0.417000 1.0079 + 3925 SYS 1309 WAT O1 D -0.834000 15.9994 + 3926 SYS 1309 WAT H1 B 0.417000 1.0079 + 3927 SYS 1309 WAT H2 B 0.417000 1.0079 + 3928 SYS 1310 WAT O1 D -0.834000 15.9994 + 3929 SYS 1310 WAT H1 B 0.417000 1.0079 + 3930 SYS 1310 WAT H2 B 0.417000 1.0079 + 3931 SYS 1311 WAT O1 D -0.834000 15.9994 + 3932 SYS 1311 WAT H1 B 0.417000 1.0079 + 3933 SYS 1311 WAT H2 B 0.417000 1.0079 + 3934 SYS 1312 WAT O1 D -0.834000 15.9994 + 3935 SYS 1312 WAT H1 B 0.417000 1.0079 + 3936 SYS 1312 WAT H2 B 0.417000 1.0079 + 3937 SYS 1313 WAT O1 D -0.834000 15.9994 + 3938 SYS 1313 WAT H1 B 0.417000 1.0079 + 3939 SYS 1313 WAT H2 B 0.417000 1.0079 + 3940 SYS 1314 WAT O1 D -0.834000 15.9994 + 3941 SYS 1314 WAT H1 B 0.417000 1.0079 + 3942 SYS 1314 WAT H2 B 0.417000 1.0079 + 3943 SYS 1315 WAT O1 D -0.834000 15.9994 + 3944 SYS 1315 WAT H1 B 0.417000 1.0079 + 3945 SYS 1315 WAT H2 B 0.417000 1.0079 + 3946 SYS 1316 WAT O1 D -0.834000 15.9994 + 3947 SYS 1316 WAT H1 B 0.417000 1.0079 + 3948 SYS 1316 WAT H2 B 0.417000 1.0079 + 3949 SYS 1317 WAT O1 D -0.834000 15.9994 + 3950 SYS 1317 WAT H1 B 0.417000 1.0079 + 3951 SYS 1317 WAT H2 B 0.417000 1.0079 + 3952 SYS 1318 WAT O1 D -0.834000 15.9994 + 3953 SYS 1318 WAT H1 B 0.417000 1.0079 + 3954 SYS 1318 WAT H2 B 0.417000 1.0079 + 3955 SYS 1319 WAT O1 D -0.834000 15.9994 + 3956 SYS 1319 WAT H1 B 0.417000 1.0079 + 3957 SYS 1319 WAT H2 B 0.417000 1.0079 + 3958 SYS 1320 WAT O1 D -0.834000 15.9994 + 3959 SYS 1320 WAT H1 B 0.417000 1.0079 + 3960 SYS 1320 WAT H2 B 0.417000 1.0079 + 3961 SYS 1321 WAT O1 D -0.834000 15.9994 + 3962 SYS 1321 WAT H1 B 0.417000 1.0079 + 3963 SYS 1321 WAT H2 B 0.417000 1.0079 + 3964 SYS 1322 WAT O1 D -0.834000 15.9994 + 3965 SYS 1322 WAT H1 B 0.417000 1.0079 + 3966 SYS 1322 WAT H2 B 0.417000 1.0079 + 3967 SYS 1323 WAT O1 D -0.834000 15.9994 + 3968 SYS 1323 WAT H1 B 0.417000 1.0079 + 3969 SYS 1323 WAT H2 B 0.417000 1.0079 + 3970 SYS 1324 WAT O1 D -0.834000 15.9994 + 3971 SYS 1324 WAT H1 B 0.417000 1.0079 + 3972 SYS 1324 WAT H2 B 0.417000 1.0079 + 3973 SYS 1325 WAT O1 D -0.834000 15.9994 + 3974 SYS 1325 WAT H1 B 0.417000 1.0079 + 3975 SYS 1325 WAT H2 B 0.417000 1.0079 + 3976 SYS 1326 WAT O1 D -0.834000 15.9994 + 3977 SYS 1326 WAT H1 B 0.417000 1.0079 + 3978 SYS 1326 WAT H2 B 0.417000 1.0079 + 3979 SYS 1327 WAT O1 D -0.834000 15.9994 + 3980 SYS 1327 WAT H1 B 0.417000 1.0079 + 3981 SYS 1327 WAT H2 B 0.417000 1.0079 + 3982 SYS 1328 WAT O1 D -0.834000 15.9994 + 3983 SYS 1328 WAT H1 B 0.417000 1.0079 + 3984 SYS 1328 WAT H2 B 0.417000 1.0079 + 3985 SYS 1329 WAT O1 D -0.834000 15.9994 + 3986 SYS 1329 WAT H1 B 0.417000 1.0079 + 3987 SYS 1329 WAT H2 B 0.417000 1.0079 + 3988 SYS 1330 WAT O1 D -0.834000 15.9994 + 3989 SYS 1330 WAT H1 B 0.417000 1.0079 + 3990 SYS 1330 WAT H2 B 0.417000 1.0079 + 3991 SYS 1331 WAT O1 D -0.834000 15.9994 + 3992 SYS 1331 WAT H1 B 0.417000 1.0079 + 3993 SYS 1331 WAT H2 B 0.417000 1.0079 + 3994 SYS 1332 WAT O1 D -0.834000 15.9994 + 3995 SYS 1332 WAT H1 B 0.417000 1.0079 + 3996 SYS 1332 WAT H2 B 0.417000 1.0079 + 3997 SYS 1333 WAT O1 D -0.834000 15.9994 + 3998 SYS 1333 WAT H1 B 0.417000 1.0079 + 3999 SYS 1333 WAT H2 B 0.417000 1.0079 + 4000 SYS 1334 WAT O1 D -0.834000 15.9994 + 4001 SYS 1334 WAT H1 B 0.417000 1.0079 + 4002 SYS 1334 WAT H2 B 0.417000 1.0079 + 4003 SYS 1335 WAT O1 D -0.834000 15.9994 + 4004 SYS 1335 WAT H1 B 0.417000 1.0079 + 4005 SYS 1335 WAT H2 B 0.417000 1.0079 + 4006 SYS 1336 WAT O1 D -0.834000 15.9994 + 4007 SYS 1336 WAT H1 B 0.417000 1.0079 + 4008 SYS 1336 WAT H2 B 0.417000 1.0079 + 4009 SYS 1337 WAT O1 D -0.834000 15.9994 + 4010 SYS 1337 WAT H1 B 0.417000 1.0079 + 4011 SYS 1337 WAT H2 B 0.417000 1.0079 + 4012 SYS 1338 WAT O1 D -0.834000 15.9994 + 4013 SYS 1338 WAT H1 B 0.417000 1.0079 + 4014 SYS 1338 WAT H2 B 0.417000 1.0079 + 4015 SYS 1339 WAT O1 D -0.834000 15.9994 + 4016 SYS 1339 WAT H1 B 0.417000 1.0079 + 4017 SYS 1339 WAT H2 B 0.417000 1.0079 + 4018 SYS 1340 WAT O1 D -0.834000 15.9994 + 4019 SYS 1340 WAT H1 B 0.417000 1.0079 + 4020 SYS 1340 WAT H2 B 0.417000 1.0079 + 4021 SYS 1341 WAT O1 D -0.834000 15.9994 + 4022 SYS 1341 WAT H1 B 0.417000 1.0079 + 4023 SYS 1341 WAT H2 B 0.417000 1.0079 + 4024 SYS 1342 WAT O1 D -0.834000 15.9994 + 4025 SYS 1342 WAT H1 B 0.417000 1.0079 + 4026 SYS 1342 WAT H2 B 0.417000 1.0079 + 4027 SYS 1343 WAT O1 D -0.834000 15.9994 + 4028 SYS 1343 WAT H1 B 0.417000 1.0079 + 4029 SYS 1343 WAT H2 B 0.417000 1.0079 + 4030 SYS 1344 WAT O1 D -0.834000 15.9994 + 4031 SYS 1344 WAT H1 B 0.417000 1.0079 + 4032 SYS 1344 WAT H2 B 0.417000 1.0079 + 4033 SYS 1345 WAT O1 D -0.834000 15.9994 + 4034 SYS 1345 WAT H1 B 0.417000 1.0079 + 4035 SYS 1345 WAT H2 B 0.417000 1.0079 + 4036 SYS 1346 WAT O1 D -0.834000 15.9994 + 4037 SYS 1346 WAT H1 B 0.417000 1.0079 + 4038 SYS 1346 WAT H2 B 0.417000 1.0079 + 4039 SYS 1347 WAT O1 D -0.834000 15.9994 + 4040 SYS 1347 WAT H1 B 0.417000 1.0079 + 4041 SYS 1347 WAT H2 B 0.417000 1.0079 + 4042 SYS 1348 WAT O1 D -0.834000 15.9994 + 4043 SYS 1348 WAT H1 B 0.417000 1.0079 + 4044 SYS 1348 WAT H2 B 0.417000 1.0079 + 4045 SYS 1349 WAT O1 D -0.834000 15.9994 + 4046 SYS 1349 WAT H1 B 0.417000 1.0079 + 4047 SYS 1349 WAT H2 B 0.417000 1.0079 + 4048 SYS 1350 WAT O1 D -0.834000 15.9994 + 4049 SYS 1350 WAT H1 B 0.417000 1.0079 + 4050 SYS 1350 WAT H2 B 0.417000 1.0079 + 4051 SYS 1351 WAT O1 D -0.834000 15.9994 + 4052 SYS 1351 WAT H1 B 0.417000 1.0079 + 4053 SYS 1351 WAT H2 B 0.417000 1.0079 + 4054 SYS 1352 WAT O1 D -0.834000 15.9994 + 4055 SYS 1352 WAT H1 B 0.417000 1.0079 + 4056 SYS 1352 WAT H2 B 0.417000 1.0079 + 4057 SYS 1353 WAT O1 D -0.834000 15.9994 + 4058 SYS 1353 WAT H1 B 0.417000 1.0079 + 4059 SYS 1353 WAT H2 B 0.417000 1.0079 + 4060 SYS 1354 WAT O1 D -0.834000 15.9994 + 4061 SYS 1354 WAT H1 B 0.417000 1.0079 + 4062 SYS 1354 WAT H2 B 0.417000 1.0079 + 4063 SYS 1355 WAT O1 D -0.834000 15.9994 + 4064 SYS 1355 WAT H1 B 0.417000 1.0079 + 4065 SYS 1355 WAT H2 B 0.417000 1.0079 + 4066 SYS 1356 WAT O1 D -0.834000 15.9994 + 4067 SYS 1356 WAT H1 B 0.417000 1.0079 + 4068 SYS 1356 WAT H2 B 0.417000 1.0079 + 4069 SYS 1357 WAT O1 D -0.834000 15.9994 + 4070 SYS 1357 WAT H1 B 0.417000 1.0079 + 4071 SYS 1357 WAT H2 B 0.417000 1.0079 + 4072 SYS 1358 WAT O1 D -0.834000 15.9994 + 4073 SYS 1358 WAT H1 B 0.417000 1.0079 + 4074 SYS 1358 WAT H2 B 0.417000 1.0079 + 4075 SYS 1359 WAT O1 D -0.834000 15.9994 + 4076 SYS 1359 WAT H1 B 0.417000 1.0079 + 4077 SYS 1359 WAT H2 B 0.417000 1.0079 + 4078 SYS 1360 WAT O1 D -0.834000 15.9994 + 4079 SYS 1360 WAT H1 B 0.417000 1.0079 + 4080 SYS 1360 WAT H2 B 0.417000 1.0079 + 4081 SYS 1361 WAT O1 D -0.834000 15.9994 + 4082 SYS 1361 WAT H1 B 0.417000 1.0079 + 4083 SYS 1361 WAT H2 B 0.417000 1.0079 + 4084 SYS 1362 WAT O1 D -0.834000 15.9994 + 4085 SYS 1362 WAT H1 B 0.417000 1.0079 + 4086 SYS 1362 WAT H2 B 0.417000 1.0079 + 4087 SYS 1363 WAT O1 D -0.834000 15.9994 + 4088 SYS 1363 WAT H1 B 0.417000 1.0079 + 4089 SYS 1363 WAT H2 B 0.417000 1.0079 + 4090 SYS 1364 WAT O1 D -0.834000 15.9994 + 4091 SYS 1364 WAT H1 B 0.417000 1.0079 + 4092 SYS 1364 WAT H2 B 0.417000 1.0079 + 4093 SYS 1365 WAT O1 D -0.834000 15.9994 + 4094 SYS 1365 WAT H1 B 0.417000 1.0079 + 4095 SYS 1365 WAT H2 B 0.417000 1.0079 + 4096 SYS 1366 WAT O1 D -0.834000 15.9994 + 4097 SYS 1366 WAT H1 B 0.417000 1.0079 + 4098 SYS 1366 WAT H2 B 0.417000 1.0079 + 4099 SYS 1367 WAT O1 D -0.834000 15.9994 + 4100 SYS 1367 WAT H1 B 0.417000 1.0079 + 4101 SYS 1367 WAT H2 B 0.417000 1.0079 + 4102 SYS 1368 WAT O1 D -0.834000 15.9994 + 4103 SYS 1368 WAT H1 B 0.417000 1.0079 + 4104 SYS 1368 WAT H2 B 0.417000 1.0079 + 4105 SYS 1369 WAT O1 D -0.834000 15.9994 + 4106 SYS 1369 WAT H1 B 0.417000 1.0079 + 4107 SYS 1369 WAT H2 B 0.417000 1.0079 + 4108 SYS 1370 WAT O1 D -0.834000 15.9994 + 4109 SYS 1370 WAT H1 B 0.417000 1.0079 + 4110 SYS 1370 WAT H2 B 0.417000 1.0079 + 4111 SYS 1371 WAT O1 D -0.834000 15.9994 + 4112 SYS 1371 WAT H1 B 0.417000 1.0079 + 4113 SYS 1371 WAT H2 B 0.417000 1.0079 + 4114 SYS 1372 WAT O1 D -0.834000 15.9994 + 4115 SYS 1372 WAT H1 B 0.417000 1.0079 + 4116 SYS 1372 WAT H2 B 0.417000 1.0079 + 4117 SYS 1373 WAT O1 D -0.834000 15.9994 + 4118 SYS 1373 WAT H1 B 0.417000 1.0079 + 4119 SYS 1373 WAT H2 B 0.417000 1.0079 + 4120 SYS 1374 WAT O1 D -0.834000 15.9994 + 4121 SYS 1374 WAT H1 B 0.417000 1.0079 + 4122 SYS 1374 WAT H2 B 0.417000 1.0079 + 4123 SYS 1375 WAT O1 D -0.834000 15.9994 + 4124 SYS 1375 WAT H1 B 0.417000 1.0079 + 4125 SYS 1375 WAT H2 B 0.417000 1.0079 + 4126 SYS 1376 WAT O1 D -0.834000 15.9994 + 4127 SYS 1376 WAT H1 B 0.417000 1.0079 + 4128 SYS 1376 WAT H2 B 0.417000 1.0079 + 4129 SYS 1377 WAT O1 D -0.834000 15.9994 + 4130 SYS 1377 WAT H1 B 0.417000 1.0079 + 4131 SYS 1377 WAT H2 B 0.417000 1.0079 + 4132 SYS 1378 WAT O1 D -0.834000 15.9994 + 4133 SYS 1378 WAT H1 B 0.417000 1.0079 + 4134 SYS 1378 WAT H2 B 0.417000 1.0079 + 4135 SYS 1379 WAT O1 D -0.834000 15.9994 + 4136 SYS 1379 WAT H1 B 0.417000 1.0079 + 4137 SYS 1379 WAT H2 B 0.417000 1.0079 + 4138 SYS 1380 WAT O1 D -0.834000 15.9994 + 4139 SYS 1380 WAT H1 B 0.417000 1.0079 + 4140 SYS 1380 WAT H2 B 0.417000 1.0079 + 4141 SYS 1381 WAT O1 D -0.834000 15.9994 + 4142 SYS 1381 WAT H1 B 0.417000 1.0079 + 4143 SYS 1381 WAT H2 B 0.417000 1.0079 + 4144 SYS 1382 WAT O1 D -0.834000 15.9994 + 4145 SYS 1382 WAT H1 B 0.417000 1.0079 + 4146 SYS 1382 WAT H2 B 0.417000 1.0079 + 4147 SYS 1383 WAT O1 D -0.834000 15.9994 + 4148 SYS 1383 WAT H1 B 0.417000 1.0079 + 4149 SYS 1383 WAT H2 B 0.417000 1.0079 + 4150 SYS 1384 WAT O1 D -0.834000 15.9994 + 4151 SYS 1384 WAT H1 B 0.417000 1.0079 + 4152 SYS 1384 WAT H2 B 0.417000 1.0079 + 4153 SYS 1385 WAT O1 D -0.834000 15.9994 + 4154 SYS 1385 WAT H1 B 0.417000 1.0079 + 4155 SYS 1385 WAT H2 B 0.417000 1.0079 + 4156 SYS 1386 WAT O1 D -0.834000 15.9994 + 4157 SYS 1386 WAT H1 B 0.417000 1.0079 + 4158 SYS 1386 WAT H2 B 0.417000 1.0079 + 4159 SYS 1387 WAT O1 D -0.834000 15.9994 + 4160 SYS 1387 WAT H1 B 0.417000 1.0079 + 4161 SYS 1387 WAT H2 B 0.417000 1.0079 + 4162 SYS 1388 WAT O1 D -0.834000 15.9994 + 4163 SYS 1388 WAT H1 B 0.417000 1.0079 + 4164 SYS 1388 WAT H2 B 0.417000 1.0079 + 4165 SYS 1389 WAT O1 D -0.834000 15.9994 + 4166 SYS 1389 WAT H1 B 0.417000 1.0079 + 4167 SYS 1389 WAT H2 B 0.417000 1.0079 + 4168 SYS 1390 WAT O1 D -0.834000 15.9994 + 4169 SYS 1390 WAT H1 B 0.417000 1.0079 + 4170 SYS 1390 WAT H2 B 0.417000 1.0079 + 4171 SYS 1391 WAT O1 D -0.834000 15.9994 + 4172 SYS 1391 WAT H1 B 0.417000 1.0079 + 4173 SYS 1391 WAT H2 B 0.417000 1.0079 + 4174 SYS 1392 WAT O1 D -0.834000 15.9994 + 4175 SYS 1392 WAT H1 B 0.417000 1.0079 + 4176 SYS 1392 WAT H2 B 0.417000 1.0079 + 4177 SYS 1393 WAT O1 D -0.834000 15.9994 + 4178 SYS 1393 WAT H1 B 0.417000 1.0079 + 4179 SYS 1393 WAT H2 B 0.417000 1.0079 + 4180 SYS 1394 WAT O1 D -0.834000 15.9994 + 4181 SYS 1394 WAT H1 B 0.417000 1.0079 + 4182 SYS 1394 WAT H2 B 0.417000 1.0079 + 4183 SYS 1395 WAT O1 D -0.834000 15.9994 + 4184 SYS 1395 WAT H1 B 0.417000 1.0079 + 4185 SYS 1395 WAT H2 B 0.417000 1.0079 + 4186 SYS 1396 WAT O1 D -0.834000 15.9994 + 4187 SYS 1396 WAT H1 B 0.417000 1.0079 + 4188 SYS 1396 WAT H2 B 0.417000 1.0079 + 4189 SYS 1397 WAT O1 D -0.834000 15.9994 + 4190 SYS 1397 WAT H1 B 0.417000 1.0079 + 4191 SYS 1397 WAT H2 B 0.417000 1.0079 + 4192 SYS 1398 WAT O1 D -0.834000 15.9994 + 4193 SYS 1398 WAT H1 B 0.417000 1.0079 + 4194 SYS 1398 WAT H2 B 0.417000 1.0079 + 4195 SYS 1399 WAT O1 D -0.834000 15.9994 + 4196 SYS 1399 WAT H1 B 0.417000 1.0079 + 4197 SYS 1399 WAT H2 B 0.417000 1.0079 + 4198 SYS 1400 WAT O1 D -0.834000 15.9994 + 4199 SYS 1400 WAT H1 B 0.417000 1.0079 + 4200 SYS 1400 WAT H2 B 0.417000 1.0079 + 4201 SYS 1401 WAT O1 D -0.834000 15.9994 + 4202 SYS 1401 WAT H1 B 0.417000 1.0079 + 4203 SYS 1401 WAT H2 B 0.417000 1.0079 + 4204 SYS 1402 WAT O1 D -0.834000 15.9994 + 4205 SYS 1402 WAT H1 B 0.417000 1.0079 + 4206 SYS 1402 WAT H2 B 0.417000 1.0079 + 4207 SYS 1403 WAT O1 D -0.834000 15.9994 + 4208 SYS 1403 WAT H1 B 0.417000 1.0079 + 4209 SYS 1403 WAT H2 B 0.417000 1.0079 + 4210 SYS 1404 WAT O1 D -0.834000 15.9994 + 4211 SYS 1404 WAT H1 B 0.417000 1.0079 + 4212 SYS 1404 WAT H2 B 0.417000 1.0079 + 4213 SYS 1405 WAT O1 D -0.834000 15.9994 + 4214 SYS 1405 WAT H1 B 0.417000 1.0079 + 4215 SYS 1405 WAT H2 B 0.417000 1.0079 + 4216 SYS 1406 WAT O1 D -0.834000 15.9994 + 4217 SYS 1406 WAT H1 B 0.417000 1.0079 + 4218 SYS 1406 WAT H2 B 0.417000 1.0079 + 4219 SYS 1407 WAT O1 D -0.834000 15.9994 + 4220 SYS 1407 WAT H1 B 0.417000 1.0079 + 4221 SYS 1407 WAT H2 B 0.417000 1.0079 + 4222 SYS 1408 WAT O1 D -0.834000 15.9994 + 4223 SYS 1408 WAT H1 B 0.417000 1.0079 + 4224 SYS 1408 WAT H2 B 0.417000 1.0079 + 4225 SYS 1409 WAT O1 D -0.834000 15.9994 + 4226 SYS 1409 WAT H1 B 0.417000 1.0079 + 4227 SYS 1409 WAT H2 B 0.417000 1.0079 + 4228 SYS 1410 WAT O1 D -0.834000 15.9994 + 4229 SYS 1410 WAT H1 B 0.417000 1.0079 + 4230 SYS 1410 WAT H2 B 0.417000 1.0079 + 4231 SYS 1411 WAT O1 D -0.834000 15.9994 + 4232 SYS 1411 WAT H1 B 0.417000 1.0079 + 4233 SYS 1411 WAT H2 B 0.417000 1.0079 + 4234 SYS 1412 WAT O1 D -0.834000 15.9994 + 4235 SYS 1412 WAT H1 B 0.417000 1.0079 + 4236 SYS 1412 WAT H2 B 0.417000 1.0079 + 4237 SYS 1413 WAT O1 D -0.834000 15.9994 + 4238 SYS 1413 WAT H1 B 0.417000 1.0079 + 4239 SYS 1413 WAT H2 B 0.417000 1.0079 + 4240 SYS 1414 WAT O1 D -0.834000 15.9994 + 4241 SYS 1414 WAT H1 B 0.417000 1.0079 + 4242 SYS 1414 WAT H2 B 0.417000 1.0079 + 4243 SYS 1415 WAT O1 D -0.834000 15.9994 + 4244 SYS 1415 WAT H1 B 0.417000 1.0079 + 4245 SYS 1415 WAT H2 B 0.417000 1.0079 + 4246 SYS 1416 WAT O1 D -0.834000 15.9994 + 4247 SYS 1416 WAT H1 B 0.417000 1.0079 + 4248 SYS 1416 WAT H2 B 0.417000 1.0079 + 4249 SYS 1417 WAT O1 D -0.834000 15.9994 + 4250 SYS 1417 WAT H1 B 0.417000 1.0079 + 4251 SYS 1417 WAT H2 B 0.417000 1.0079 + 4252 SYS 1418 WAT O1 D -0.834000 15.9994 + 4253 SYS 1418 WAT H1 B 0.417000 1.0079 + 4254 SYS 1418 WAT H2 B 0.417000 1.0079 + 4255 SYS 1419 WAT O1 D -0.834000 15.9994 + 4256 SYS 1419 WAT H1 B 0.417000 1.0079 + 4257 SYS 1419 WAT H2 B 0.417000 1.0079 + 4258 SYS 1420 WAT O1 D -0.834000 15.9994 + 4259 SYS 1420 WAT H1 B 0.417000 1.0079 + 4260 SYS 1420 WAT H2 B 0.417000 1.0079 + 4261 SYS 1421 WAT O1 D -0.834000 15.9994 + 4262 SYS 1421 WAT H1 B 0.417000 1.0079 + 4263 SYS 1421 WAT H2 B 0.417000 1.0079 + 4264 SYS 1422 WAT O1 D -0.834000 15.9994 + 4265 SYS 1422 WAT H1 B 0.417000 1.0079 + 4266 SYS 1422 WAT H2 B 0.417000 1.0079 + 4267 SYS 1423 WAT O1 D -0.834000 15.9994 + 4268 SYS 1423 WAT H1 B 0.417000 1.0079 + 4269 SYS 1423 WAT H2 B 0.417000 1.0079 + 4270 SYS 1424 WAT O1 D -0.834000 15.9994 + 4271 SYS 1424 WAT H1 B 0.417000 1.0079 + 4272 SYS 1424 WAT H2 B 0.417000 1.0079 + 4273 SYS 1425 WAT O1 D -0.834000 15.9994 + 4274 SYS 1425 WAT H1 B 0.417000 1.0079 + 4275 SYS 1425 WAT H2 B 0.417000 1.0079 + 4276 SYS 1426 WAT O1 D -0.834000 15.9994 + 4277 SYS 1426 WAT H1 B 0.417000 1.0079 + 4278 SYS 1426 WAT H2 B 0.417000 1.0079 + 4279 SYS 1427 WAT O1 D -0.834000 15.9994 + 4280 SYS 1427 WAT H1 B 0.417000 1.0079 + 4281 SYS 1427 WAT H2 B 0.417000 1.0079 + 4282 SYS 1428 WAT O1 D -0.834000 15.9994 + 4283 SYS 1428 WAT H1 B 0.417000 1.0079 + 4284 SYS 1428 WAT H2 B 0.417000 1.0079 + 4285 SYS 1429 WAT O1 D -0.834000 15.9994 + 4286 SYS 1429 WAT H1 B 0.417000 1.0079 + 4287 SYS 1429 WAT H2 B 0.417000 1.0079 + 4288 SYS 1430 WAT O1 D -0.834000 15.9994 + 4289 SYS 1430 WAT H1 B 0.417000 1.0079 + 4290 SYS 1430 WAT H2 B 0.417000 1.0079 + 4291 SYS 1431 WAT O1 D -0.834000 15.9994 + 4292 SYS 1431 WAT H1 B 0.417000 1.0079 + 4293 SYS 1431 WAT H2 B 0.417000 1.0079 + 4294 SYS 1432 WAT O1 D -0.834000 15.9994 + 4295 SYS 1432 WAT H1 B 0.417000 1.0079 + 4296 SYS 1432 WAT H2 B 0.417000 1.0079 + 4297 SYS 1433 WAT O1 D -0.834000 15.9994 + 4298 SYS 1433 WAT H1 B 0.417000 1.0079 + 4299 SYS 1433 WAT H2 B 0.417000 1.0079 + 4300 SYS 1434 WAT O1 D -0.834000 15.9994 + 4301 SYS 1434 WAT H1 B 0.417000 1.0079 + 4302 SYS 1434 WAT H2 B 0.417000 1.0079 + 4303 SYS 1435 WAT O1 D -0.834000 15.9994 + 4304 SYS 1435 WAT H1 B 0.417000 1.0079 + 4305 SYS 1435 WAT H2 B 0.417000 1.0079 + 4306 SYS 1436 WAT O1 D -0.834000 15.9994 + 4307 SYS 1436 WAT H1 B 0.417000 1.0079 + 4308 SYS 1436 WAT H2 B 0.417000 1.0079 + 4309 SYS 1437 WAT O1 D -0.834000 15.9994 + 4310 SYS 1437 WAT H1 B 0.417000 1.0079 + 4311 SYS 1437 WAT H2 B 0.417000 1.0079 + 4312 SYS 1438 WAT O1 D -0.834000 15.9994 + 4313 SYS 1438 WAT H1 B 0.417000 1.0079 + 4314 SYS 1438 WAT H2 B 0.417000 1.0079 + 4315 SYS 1439 WAT O1 D -0.834000 15.9994 + 4316 SYS 1439 WAT H1 B 0.417000 1.0079 + 4317 SYS 1439 WAT H2 B 0.417000 1.0079 + 4318 SYS 1440 WAT O1 D -0.834000 15.9994 + 4319 SYS 1440 WAT H1 B 0.417000 1.0079 + 4320 SYS 1440 WAT H2 B 0.417000 1.0079 + 4321 SYS 1441 WAT O1 D -0.834000 15.9994 + 4322 SYS 1441 WAT H1 B 0.417000 1.0079 + 4323 SYS 1441 WAT H2 B 0.417000 1.0079 + 4324 SYS 1442 WAT O1 D -0.834000 15.9994 + 4325 SYS 1442 WAT H1 B 0.417000 1.0079 + 4326 SYS 1442 WAT H2 B 0.417000 1.0079 + 4327 SYS 1443 WAT O1 D -0.834000 15.9994 + 4328 SYS 1443 WAT H1 B 0.417000 1.0079 + 4329 SYS 1443 WAT H2 B 0.417000 1.0079 + 4330 SYS 1444 WAT O1 D -0.834000 15.9994 + 4331 SYS 1444 WAT H1 B 0.417000 1.0079 + 4332 SYS 1444 WAT H2 B 0.417000 1.0079 + 4333 SYS 1445 WAT O1 D -0.834000 15.9994 + 4334 SYS 1445 WAT H1 B 0.417000 1.0079 + 4335 SYS 1445 WAT H2 B 0.417000 1.0079 + 4336 SYS 1446 WAT O1 D -0.834000 15.9994 + 4337 SYS 1446 WAT H1 B 0.417000 1.0079 + 4338 SYS 1446 WAT H2 B 0.417000 1.0079 + 4339 SYS 1447 WAT O1 D -0.834000 15.9994 + 4340 SYS 1447 WAT H1 B 0.417000 1.0079 + 4341 SYS 1447 WAT H2 B 0.417000 1.0079 + 4342 SYS 1448 WAT O1 D -0.834000 15.9994 + 4343 SYS 1448 WAT H1 B 0.417000 1.0079 + 4344 SYS 1448 WAT H2 B 0.417000 1.0079 + 4345 SYS 1449 WAT O1 D -0.834000 15.9994 + 4346 SYS 1449 WAT H1 B 0.417000 1.0079 + 4347 SYS 1449 WAT H2 B 0.417000 1.0079 + 4348 SYS 1450 WAT O1 D -0.834000 15.9994 + 4349 SYS 1450 WAT H1 B 0.417000 1.0079 + 4350 SYS 1450 WAT H2 B 0.417000 1.0079 + 4351 SYS 1451 WAT O1 D -0.834000 15.9994 + 4352 SYS 1451 WAT H1 B 0.417000 1.0079 + 4353 SYS 1451 WAT H2 B 0.417000 1.0079 + 4354 SYS 1452 WAT O1 D -0.834000 15.9994 + 4355 SYS 1452 WAT H1 B 0.417000 1.0079 + 4356 SYS 1452 WAT H2 B 0.417000 1.0079 + 4357 SYS 1453 WAT O1 D -0.834000 15.9994 + 4358 SYS 1453 WAT H1 B 0.417000 1.0079 + 4359 SYS 1453 WAT H2 B 0.417000 1.0079 + 4360 SYS 1454 WAT O1 D -0.834000 15.9994 + 4361 SYS 1454 WAT H1 B 0.417000 1.0079 + 4362 SYS 1454 WAT H2 B 0.417000 1.0079 + 4363 SYS 1455 WAT O1 D -0.834000 15.9994 + 4364 SYS 1455 WAT H1 B 0.417000 1.0079 + 4365 SYS 1455 WAT H2 B 0.417000 1.0079 + 4366 SYS 1456 WAT O1 D -0.834000 15.9994 + 4367 SYS 1456 WAT H1 B 0.417000 1.0079 + 4368 SYS 1456 WAT H2 B 0.417000 1.0079 + 4369 SYS 1457 WAT O1 D -0.834000 15.9994 + 4370 SYS 1457 WAT H1 B 0.417000 1.0079 + 4371 SYS 1457 WAT H2 B 0.417000 1.0079 + 4372 SYS 1458 WAT O1 D -0.834000 15.9994 + 4373 SYS 1458 WAT H1 B 0.417000 1.0079 + 4374 SYS 1458 WAT H2 B 0.417000 1.0079 + 4375 SYS 1459 WAT O1 D -0.834000 15.9994 + 4376 SYS 1459 WAT H1 B 0.417000 1.0079 + 4377 SYS 1459 WAT H2 B 0.417000 1.0079 + 4378 SYS 1460 WAT O1 D -0.834000 15.9994 + 4379 SYS 1460 WAT H1 B 0.417000 1.0079 + 4380 SYS 1460 WAT H2 B 0.417000 1.0079 + 4381 SYS 1461 WAT O1 D -0.834000 15.9994 + 4382 SYS 1461 WAT H1 B 0.417000 1.0079 + 4383 SYS 1461 WAT H2 B 0.417000 1.0079 + 4384 SYS 1462 WAT O1 D -0.834000 15.9994 + 4385 SYS 1462 WAT H1 B 0.417000 1.0079 + 4386 SYS 1462 WAT H2 B 0.417000 1.0079 + 4387 SYS 1463 WAT O1 D -0.834000 15.9994 + 4388 SYS 1463 WAT H1 B 0.417000 1.0079 + 4389 SYS 1463 WAT H2 B 0.417000 1.0079 + 4390 SYS 1464 WAT O1 D -0.834000 15.9994 + 4391 SYS 1464 WAT H1 B 0.417000 1.0079 + 4392 SYS 1464 WAT H2 B 0.417000 1.0079 + 4393 SYS 1465 WAT O1 D -0.834000 15.9994 + 4394 SYS 1465 WAT H1 B 0.417000 1.0079 + 4395 SYS 1465 WAT H2 B 0.417000 1.0079 + 4396 SYS 1466 WAT O1 D -0.834000 15.9994 + 4397 SYS 1466 WAT H1 B 0.417000 1.0079 + 4398 SYS 1466 WAT H2 B 0.417000 1.0079 + 4399 SYS 1467 WAT O1 D -0.834000 15.9994 + 4400 SYS 1467 WAT H1 B 0.417000 1.0079 + 4401 SYS 1467 WAT H2 B 0.417000 1.0079 + 4402 SYS 1468 WAT O1 D -0.834000 15.9994 + 4403 SYS 1468 WAT H1 B 0.417000 1.0079 + 4404 SYS 1468 WAT H2 B 0.417000 1.0079 + 4405 SYS 1469 WAT O1 D -0.834000 15.9994 + 4406 SYS 1469 WAT H1 B 0.417000 1.0079 + 4407 SYS 1469 WAT H2 B 0.417000 1.0079 + 4408 SYS 1470 WAT O1 D -0.834000 15.9994 + 4409 SYS 1470 WAT H1 B 0.417000 1.0079 + 4410 SYS 1470 WAT H2 B 0.417000 1.0079 + 4411 SYS 1471 WAT O1 D -0.834000 15.9994 + 4412 SYS 1471 WAT H1 B 0.417000 1.0079 + 4413 SYS 1471 WAT H2 B 0.417000 1.0079 + 4414 SYS 1472 WAT O1 D -0.834000 15.9994 + 4415 SYS 1472 WAT H1 B 0.417000 1.0079 + 4416 SYS 1472 WAT H2 B 0.417000 1.0079 + 4417 SYS 1473 WAT O1 D -0.834000 15.9994 + 4418 SYS 1473 WAT H1 B 0.417000 1.0079 + 4419 SYS 1473 WAT H2 B 0.417000 1.0079 + 4420 SYS 1474 WAT O1 D -0.834000 15.9994 + 4421 SYS 1474 WAT H1 B 0.417000 1.0079 + 4422 SYS 1474 WAT H2 B 0.417000 1.0079 + 4423 SYS 1475 WAT O1 D -0.834000 15.9994 + 4424 SYS 1475 WAT H1 B 0.417000 1.0079 + 4425 SYS 1475 WAT H2 B 0.417000 1.0079 + 4426 SYS 1476 WAT O1 D -0.834000 15.9994 + 4427 SYS 1476 WAT H1 B 0.417000 1.0079 + 4428 SYS 1476 WAT H2 B 0.417000 1.0079 + 4429 SYS 1477 WAT O1 D -0.834000 15.9994 + 4430 SYS 1477 WAT H1 B 0.417000 1.0079 + 4431 SYS 1477 WAT H2 B 0.417000 1.0079 + 4432 SYS 1478 WAT O1 D -0.834000 15.9994 + 4433 SYS 1478 WAT H1 B 0.417000 1.0079 + 4434 SYS 1478 WAT H2 B 0.417000 1.0079 + 4435 SYS 1479 WAT O1 D -0.834000 15.9994 + 4436 SYS 1479 WAT H1 B 0.417000 1.0079 + 4437 SYS 1479 WAT H2 B 0.417000 1.0079 + 4438 SYS 1480 WAT O1 D -0.834000 15.9994 + 4439 SYS 1480 WAT H1 B 0.417000 1.0079 + 4440 SYS 1480 WAT H2 B 0.417000 1.0079 + 4441 SYS 1481 WAT O1 D -0.834000 15.9994 + 4442 SYS 1481 WAT H1 B 0.417000 1.0079 + 4443 SYS 1481 WAT H2 B 0.417000 1.0079 + 4444 SYS 1482 WAT O1 D -0.834000 15.9994 + 4445 SYS 1482 WAT H1 B 0.417000 1.0079 + 4446 SYS 1482 WAT H2 B 0.417000 1.0079 + 4447 SYS 1483 WAT O1 D -0.834000 15.9994 + 4448 SYS 1483 WAT H1 B 0.417000 1.0079 + 4449 SYS 1483 WAT H2 B 0.417000 1.0079 + 4450 SYS 1484 WAT O1 D -0.834000 15.9994 + 4451 SYS 1484 WAT H1 B 0.417000 1.0079 + 4452 SYS 1484 WAT H2 B 0.417000 1.0079 + 4453 SYS 1485 WAT O1 D -0.834000 15.9994 + 4454 SYS 1485 WAT H1 B 0.417000 1.0079 + 4455 SYS 1485 WAT H2 B 0.417000 1.0079 + 4456 SYS 1486 WAT O1 D -0.834000 15.9994 + 4457 SYS 1486 WAT H1 B 0.417000 1.0079 + 4458 SYS 1486 WAT H2 B 0.417000 1.0079 + 4459 SYS 1487 WAT O1 D -0.834000 15.9994 + 4460 SYS 1487 WAT H1 B 0.417000 1.0079 + 4461 SYS 1487 WAT H2 B 0.417000 1.0079 + 4462 SYS 1488 WAT O1 D -0.834000 15.9994 + 4463 SYS 1488 WAT H1 B 0.417000 1.0079 + 4464 SYS 1488 WAT H2 B 0.417000 1.0079 + 4465 SYS 1489 WAT O1 D -0.834000 15.9994 + 4466 SYS 1489 WAT H1 B 0.417000 1.0079 + 4467 SYS 1489 WAT H2 B 0.417000 1.0079 + 4468 SYS 1490 WAT O1 D -0.834000 15.9994 + 4469 SYS 1490 WAT H1 B 0.417000 1.0079 + 4470 SYS 1490 WAT H2 B 0.417000 1.0079 + 4471 SYS 1491 WAT O1 D -0.834000 15.9994 + 4472 SYS 1491 WAT H1 B 0.417000 1.0079 + 4473 SYS 1491 WAT H2 B 0.417000 1.0079 + 4474 SYS 1492 WAT O1 D -0.834000 15.9994 + 4475 SYS 1492 WAT H1 B 0.417000 1.0079 + 4476 SYS 1492 WAT H2 B 0.417000 1.0079 + 4477 SYS 1493 WAT O1 D -0.834000 15.9994 + 4478 SYS 1493 WAT H1 B 0.417000 1.0079 + 4479 SYS 1493 WAT H2 B 0.417000 1.0079 + 4480 SYS 1494 WAT O1 D -0.834000 15.9994 + 4481 SYS 1494 WAT H1 B 0.417000 1.0079 + 4482 SYS 1494 WAT H2 B 0.417000 1.0079 + 4483 SYS 1495 WAT O1 D -0.834000 15.9994 + 4484 SYS 1495 WAT H1 B 0.417000 1.0079 + 4485 SYS 1495 WAT H2 B 0.417000 1.0079 + 4486 SYS 1496 WAT O1 D -0.834000 15.9994 + 4487 SYS 1496 WAT H1 B 0.417000 1.0079 + 4488 SYS 1496 WAT H2 B 0.417000 1.0079 + 4489 SYS 1497 WAT O1 D -0.834000 15.9994 + 4490 SYS 1497 WAT H1 B 0.417000 1.0079 + 4491 SYS 1497 WAT H2 B 0.417000 1.0079 + 4492 SYS 1498 WAT O1 D -0.834000 15.9994 + 4493 SYS 1498 WAT H1 B 0.417000 1.0079 + 4494 SYS 1498 WAT H2 B 0.417000 1.0079 + 4495 SYS 1499 WAT O1 D -0.834000 15.9994 + 4496 SYS 1499 WAT H1 B 0.417000 1.0079 + 4497 SYS 1499 WAT H2 B 0.417000 1.0079 + 4498 SYS 1500 WAT O1 D -0.834000 15.9994 + 4499 SYS 1500 WAT H1 B 0.417000 1.0079 + 4500 SYS 1500 WAT H2 B 0.417000 1.0079 + 4501 SYS 1501 WAT O1 D -0.834000 15.9994 + 4502 SYS 1501 WAT H1 B 0.417000 1.0079 + 4503 SYS 1501 WAT H2 B 0.417000 1.0079 + 4504 SYS 1502 WAT O1 D -0.834000 15.9994 + 4505 SYS 1502 WAT H1 B 0.417000 1.0079 + 4506 SYS 1502 WAT H2 B 0.417000 1.0079 + 4507 SYS 1503 WAT O1 D -0.834000 15.9994 + 4508 SYS 1503 WAT H1 B 0.417000 1.0079 + 4509 SYS 1503 WAT H2 B 0.417000 1.0079 + 4510 SYS 1504 WAT O1 D -0.834000 15.9994 + 4511 SYS 1504 WAT H1 B 0.417000 1.0079 + 4512 SYS 1504 WAT H2 B 0.417000 1.0079 + 4513 SYS 1505 WAT O1 D -0.834000 15.9994 + 4514 SYS 1505 WAT H1 B 0.417000 1.0079 + 4515 SYS 1505 WAT H2 B 0.417000 1.0079 + 4516 SYS 1506 WAT O1 D -0.834000 15.9994 + 4517 SYS 1506 WAT H1 B 0.417000 1.0079 + 4518 SYS 1506 WAT H2 B 0.417000 1.0079 + 4519 SYS 1507 WAT O1 D -0.834000 15.9994 + 4520 SYS 1507 WAT H1 B 0.417000 1.0079 + 4521 SYS 1507 WAT H2 B 0.417000 1.0079 + 4522 SYS 1508 WAT O1 D -0.834000 15.9994 + 4523 SYS 1508 WAT H1 B 0.417000 1.0079 + 4524 SYS 1508 WAT H2 B 0.417000 1.0079 + 4525 SYS 1509 WAT O1 D -0.834000 15.9994 + 4526 SYS 1509 WAT H1 B 0.417000 1.0079 + 4527 SYS 1509 WAT H2 B 0.417000 1.0079 + 4528 SYS 1510 WAT O1 D -0.834000 15.9994 + 4529 SYS 1510 WAT H1 B 0.417000 1.0079 + 4530 SYS 1510 WAT H2 B 0.417000 1.0079 + 4531 SYS 1511 WAT O1 D -0.834000 15.9994 + 4532 SYS 1511 WAT H1 B 0.417000 1.0079 + 4533 SYS 1511 WAT H2 B 0.417000 1.0079 + 4534 SYS 1512 WAT O1 D -0.834000 15.9994 + 4535 SYS 1512 WAT H1 B 0.417000 1.0079 + 4536 SYS 1512 WAT H2 B 0.417000 1.0079 + 4537 SYS 1513 WAT O1 D -0.834000 15.9994 + 4538 SYS 1513 WAT H1 B 0.417000 1.0079 + 4539 SYS 1513 WAT H2 B 0.417000 1.0079 + 4540 SYS 1514 WAT O1 D -0.834000 15.9994 + 4541 SYS 1514 WAT H1 B 0.417000 1.0079 + 4542 SYS 1514 WAT H2 B 0.417000 1.0079 + 4543 SYS 1515 WAT O1 D -0.834000 15.9994 + 4544 SYS 1515 WAT H1 B 0.417000 1.0079 + 4545 SYS 1515 WAT H2 B 0.417000 1.0079 + 4546 SYS 1516 WAT O1 D -0.834000 15.9994 + 4547 SYS 1516 WAT H1 B 0.417000 1.0079 + 4548 SYS 1516 WAT H2 B 0.417000 1.0079 + 4549 SYS 1517 WAT O1 D -0.834000 15.9994 + 4550 SYS 1517 WAT H1 B 0.417000 1.0079 + 4551 SYS 1517 WAT H2 B 0.417000 1.0079 + 4552 SYS 1518 WAT O1 D -0.834000 15.9994 + 4553 SYS 1518 WAT H1 B 0.417000 1.0079 + 4554 SYS 1518 WAT H2 B 0.417000 1.0079 + 4555 SYS 1519 WAT O1 D -0.834000 15.9994 + 4556 SYS 1519 WAT H1 B 0.417000 1.0079 + 4557 SYS 1519 WAT H2 B 0.417000 1.0079 + 4558 SYS 1520 WAT O1 D -0.834000 15.9994 + 4559 SYS 1520 WAT H1 B 0.417000 1.0079 + 4560 SYS 1520 WAT H2 B 0.417000 1.0079 + 4561 SYS 1521 WAT O1 D -0.834000 15.9994 + 4562 SYS 1521 WAT H1 B 0.417000 1.0079 + 4563 SYS 1521 WAT H2 B 0.417000 1.0079 + 4564 SYS 1522 WAT O1 D -0.834000 15.9994 + 4565 SYS 1522 WAT H1 B 0.417000 1.0079 + 4566 SYS 1522 WAT H2 B 0.417000 1.0079 + 4567 SYS 1523 WAT O1 D -0.834000 15.9994 + 4568 SYS 1523 WAT H1 B 0.417000 1.0079 + 4569 SYS 1523 WAT H2 B 0.417000 1.0079 + 4570 SYS 1524 WAT O1 D -0.834000 15.9994 + 4571 SYS 1524 WAT H1 B 0.417000 1.0079 + 4572 SYS 1524 WAT H2 B 0.417000 1.0079 + 4573 SYS 1525 WAT O1 D -0.834000 15.9994 + 4574 SYS 1525 WAT H1 B 0.417000 1.0079 + 4575 SYS 1525 WAT H2 B 0.417000 1.0079 + 4576 SYS 1526 WAT O1 D -0.834000 15.9994 + 4577 SYS 1526 WAT H1 B 0.417000 1.0079 + 4578 SYS 1526 WAT H2 B 0.417000 1.0079 + 4579 SYS 1527 WAT O1 D -0.834000 15.9994 + 4580 SYS 1527 WAT H1 B 0.417000 1.0079 + 4581 SYS 1527 WAT H2 B 0.417000 1.0079 + 4582 SYS 1528 WAT O1 D -0.834000 15.9994 + 4583 SYS 1528 WAT H1 B 0.417000 1.0079 + 4584 SYS 1528 WAT H2 B 0.417000 1.0079 + 4585 SYS 1529 WAT O1 D -0.834000 15.9994 + 4586 SYS 1529 WAT H1 B 0.417000 1.0079 + 4587 SYS 1529 WAT H2 B 0.417000 1.0079 + 4588 SYS 1530 WAT O1 D -0.834000 15.9994 + 4589 SYS 1530 WAT H1 B 0.417000 1.0079 + 4590 SYS 1530 WAT H2 B 0.417000 1.0079 + 4591 SYS 1531 WAT O1 D -0.834000 15.9994 + 4592 SYS 1531 WAT H1 B 0.417000 1.0079 + 4593 SYS 1531 WAT H2 B 0.417000 1.0079 + 4594 SYS 1532 WAT O1 D -0.834000 15.9994 + 4595 SYS 1532 WAT H1 B 0.417000 1.0079 + 4596 SYS 1532 WAT H2 B 0.417000 1.0079 + 4597 SYS 1533 WAT O1 D -0.834000 15.9994 + 4598 SYS 1533 WAT H1 B 0.417000 1.0079 + 4599 SYS 1533 WAT H2 B 0.417000 1.0079 + 4600 SYS 1534 WAT O1 D -0.834000 15.9994 + 4601 SYS 1534 WAT H1 B 0.417000 1.0079 + 4602 SYS 1534 WAT H2 B 0.417000 1.0079 + 4603 SYS 1535 WAT O1 D -0.834000 15.9994 + 4604 SYS 1535 WAT H1 B 0.417000 1.0079 + 4605 SYS 1535 WAT H2 B 0.417000 1.0079 + 4606 SYS 1536 WAT O1 D -0.834000 15.9994 + 4607 SYS 1536 WAT H1 B 0.417000 1.0079 + 4608 SYS 1536 WAT H2 B 0.417000 1.0079 + 4609 SYS 1537 WAT O1 D -0.834000 15.9994 + 4610 SYS 1537 WAT H1 B 0.417000 1.0079 + 4611 SYS 1537 WAT H2 B 0.417000 1.0079 + 4612 SYS 1538 WAT O1 D -0.834000 15.9994 + 4613 SYS 1538 WAT H1 B 0.417000 1.0079 + 4614 SYS 1538 WAT H2 B 0.417000 1.0079 + 4615 SYS 1539 WAT O1 D -0.834000 15.9994 + 4616 SYS 1539 WAT H1 B 0.417000 1.0079 + 4617 SYS 1539 WAT H2 B 0.417000 1.0079 + 4618 SYS 1540 WAT O1 D -0.834000 15.9994 + 4619 SYS 1540 WAT H1 B 0.417000 1.0079 + 4620 SYS 1540 WAT H2 B 0.417000 1.0079 + 4621 SYS 1541 WAT O1 D -0.834000 15.9994 + 4622 SYS 1541 WAT H1 B 0.417000 1.0079 + 4623 SYS 1541 WAT H2 B 0.417000 1.0079 + 4624 SYS 1542 WAT O1 D -0.834000 15.9994 + 4625 SYS 1542 WAT H1 B 0.417000 1.0079 + 4626 SYS 1542 WAT H2 B 0.417000 1.0079 + 4627 SYS 1543 WAT O1 D -0.834000 15.9994 + 4628 SYS 1543 WAT H1 B 0.417000 1.0079 + 4629 SYS 1543 WAT H2 B 0.417000 1.0079 + 4630 SYS 1544 WAT O1 D -0.834000 15.9994 + 4631 SYS 1544 WAT H1 B 0.417000 1.0079 + 4632 SYS 1544 WAT H2 B 0.417000 1.0079 + 4633 SYS 1545 WAT O1 D -0.834000 15.9994 + 4634 SYS 1545 WAT H1 B 0.417000 1.0079 + 4635 SYS 1545 WAT H2 B 0.417000 1.0079 + 4636 SYS 1546 WAT O1 D -0.834000 15.9994 + 4637 SYS 1546 WAT H1 B 0.417000 1.0079 + 4638 SYS 1546 WAT H2 B 0.417000 1.0079 + 4639 SYS 1547 WAT O1 D -0.834000 15.9994 + 4640 SYS 1547 WAT H1 B 0.417000 1.0079 + 4641 SYS 1547 WAT H2 B 0.417000 1.0079 + 4642 SYS 1548 WAT O1 D -0.834000 15.9994 + 4643 SYS 1548 WAT H1 B 0.417000 1.0079 + 4644 SYS 1548 WAT H2 B 0.417000 1.0079 + 4645 SYS 1549 WAT O1 D -0.834000 15.9994 + 4646 SYS 1549 WAT H1 B 0.417000 1.0079 + 4647 SYS 1549 WAT H2 B 0.417000 1.0079 + 4648 SYS 1550 WAT O1 D -0.834000 15.9994 + 4649 SYS 1550 WAT H1 B 0.417000 1.0079 + 4650 SYS 1550 WAT H2 B 0.417000 1.0079 + 4651 SYS 1551 WAT O1 D -0.834000 15.9994 + 4652 SYS 1551 WAT H1 B 0.417000 1.0079 + 4653 SYS 1551 WAT H2 B 0.417000 1.0079 + 4654 SYS 1552 WAT O1 D -0.834000 15.9994 + 4655 SYS 1552 WAT H1 B 0.417000 1.0079 + 4656 SYS 1552 WAT H2 B 0.417000 1.0079 + 4657 SYS 1553 WAT O1 D -0.834000 15.9994 + 4658 SYS 1553 WAT H1 B 0.417000 1.0079 + 4659 SYS 1553 WAT H2 B 0.417000 1.0079 + 4660 SYS 1554 WAT O1 D -0.834000 15.9994 + 4661 SYS 1554 WAT H1 B 0.417000 1.0079 + 4662 SYS 1554 WAT H2 B 0.417000 1.0079 + 4663 SYS 1555 WAT O1 D -0.834000 15.9994 + 4664 SYS 1555 WAT H1 B 0.417000 1.0079 + 4665 SYS 1555 WAT H2 B 0.417000 1.0079 + 4666 SYS 1556 WAT O1 D -0.834000 15.9994 + 4667 SYS 1556 WAT H1 B 0.417000 1.0079 + 4668 SYS 1556 WAT H2 B 0.417000 1.0079 + 4669 SYS 1557 WAT O1 D -0.834000 15.9994 + 4670 SYS 1557 WAT H1 B 0.417000 1.0079 + 4671 SYS 1557 WAT H2 B 0.417000 1.0079 + 4672 SYS 1558 WAT O1 D -0.834000 15.9994 + 4673 SYS 1558 WAT H1 B 0.417000 1.0079 + 4674 SYS 1558 WAT H2 B 0.417000 1.0079 + 4675 SYS 1559 WAT O1 D -0.834000 15.9994 + 4676 SYS 1559 WAT H1 B 0.417000 1.0079 + 4677 SYS 1559 WAT H2 B 0.417000 1.0079 + 4678 SYS 1560 WAT O1 D -0.834000 15.9994 + 4679 SYS 1560 WAT H1 B 0.417000 1.0079 + 4680 SYS 1560 WAT H2 B 0.417000 1.0079 + 4681 SYS 1561 WAT O1 D -0.834000 15.9994 + 4682 SYS 1561 WAT H1 B 0.417000 1.0079 + 4683 SYS 1561 WAT H2 B 0.417000 1.0079 + 4684 SYS 1562 WAT O1 D -0.834000 15.9994 + 4685 SYS 1562 WAT H1 B 0.417000 1.0079 + 4686 SYS 1562 WAT H2 B 0.417000 1.0079 + 4687 SYS 1563 WAT O1 D -0.834000 15.9994 + 4688 SYS 1563 WAT H1 B 0.417000 1.0079 + 4689 SYS 1563 WAT H2 B 0.417000 1.0079 + 4690 SYS 1564 WAT O1 D -0.834000 15.9994 + 4691 SYS 1564 WAT H1 B 0.417000 1.0079 + 4692 SYS 1564 WAT H2 B 0.417000 1.0079 + 4693 SYS 1565 WAT O1 D -0.834000 15.9994 + 4694 SYS 1565 WAT H1 B 0.417000 1.0079 + 4695 SYS 1565 WAT H2 B 0.417000 1.0079 + 4696 SYS 1566 WAT O1 D -0.834000 15.9994 + 4697 SYS 1566 WAT H1 B 0.417000 1.0079 + 4698 SYS 1566 WAT H2 B 0.417000 1.0079 + 4699 SYS 1567 WAT O1 D -0.834000 15.9994 + 4700 SYS 1567 WAT H1 B 0.417000 1.0079 + 4701 SYS 1567 WAT H2 B 0.417000 1.0079 + 4702 SYS 1568 WAT O1 D -0.834000 15.9994 + 4703 SYS 1568 WAT H1 B 0.417000 1.0079 + 4704 SYS 1568 WAT H2 B 0.417000 1.0079 + 4705 SYS 1569 WAT O1 D -0.834000 15.9994 + 4706 SYS 1569 WAT H1 B 0.417000 1.0079 + 4707 SYS 1569 WAT H2 B 0.417000 1.0079 + 4708 SYS 1570 WAT O1 D -0.834000 15.9994 + 4709 SYS 1570 WAT H1 B 0.417000 1.0079 + 4710 SYS 1570 WAT H2 B 0.417000 1.0079 + 4711 SYS 1571 WAT O1 D -0.834000 15.9994 + 4712 SYS 1571 WAT H1 B 0.417000 1.0079 + 4713 SYS 1571 WAT H2 B 0.417000 1.0079 + 4714 SYS 1572 WAT O1 D -0.834000 15.9994 + 4715 SYS 1572 WAT H1 B 0.417000 1.0079 + 4716 SYS 1572 WAT H2 B 0.417000 1.0079 + 4717 SYS 1573 WAT O1 D -0.834000 15.9994 + 4718 SYS 1573 WAT H1 B 0.417000 1.0079 + 4719 SYS 1573 WAT H2 B 0.417000 1.0079 + 4720 SYS 1574 WAT O1 D -0.834000 15.9994 + 4721 SYS 1574 WAT H1 B 0.417000 1.0079 + 4722 SYS 1574 WAT H2 B 0.417000 1.0079 + 4723 SYS 1575 WAT O1 D -0.834000 15.9994 + 4724 SYS 1575 WAT H1 B 0.417000 1.0079 + 4725 SYS 1575 WAT H2 B 0.417000 1.0079 + 4726 SYS 1576 WAT O1 D -0.834000 15.9994 + 4727 SYS 1576 WAT H1 B 0.417000 1.0079 + 4728 SYS 1576 WAT H2 B 0.417000 1.0079 + 4729 SYS 1577 WAT O1 D -0.834000 15.9994 + 4730 SYS 1577 WAT H1 B 0.417000 1.0079 + 4731 SYS 1577 WAT H2 B 0.417000 1.0079 + 4732 SYS 1578 WAT O1 D -0.834000 15.9994 + 4733 SYS 1578 WAT H1 B 0.417000 1.0079 + 4734 SYS 1578 WAT H2 B 0.417000 1.0079 + 4735 SYS 1579 WAT O1 D -0.834000 15.9994 + 4736 SYS 1579 WAT H1 B 0.417000 1.0079 + 4737 SYS 1579 WAT H2 B 0.417000 1.0079 + 4738 SYS 1580 WAT O1 D -0.834000 15.9994 + 4739 SYS 1580 WAT H1 B 0.417000 1.0079 + 4740 SYS 1580 WAT H2 B 0.417000 1.0079 + 4741 SYS 1581 WAT O1 D -0.834000 15.9994 + 4742 SYS 1581 WAT H1 B 0.417000 1.0079 + 4743 SYS 1581 WAT H2 B 0.417000 1.0079 + 4744 SYS 1582 WAT O1 D -0.834000 15.9994 + 4745 SYS 1582 WAT H1 B 0.417000 1.0079 + 4746 SYS 1582 WAT H2 B 0.417000 1.0079 + 4747 SYS 1583 WAT O1 D -0.834000 15.9994 + 4748 SYS 1583 WAT H1 B 0.417000 1.0079 + 4749 SYS 1583 WAT H2 B 0.417000 1.0079 + 4750 SYS 1584 WAT O1 D -0.834000 15.9994 + 4751 SYS 1584 WAT H1 B 0.417000 1.0079 + 4752 SYS 1584 WAT H2 B 0.417000 1.0079 + 4753 SYS 1585 WAT O1 D -0.834000 15.9994 + 4754 SYS 1585 WAT H1 B 0.417000 1.0079 + 4755 SYS 1585 WAT H2 B 0.417000 1.0079 + 4756 SYS 1586 WAT O1 D -0.834000 15.9994 + 4757 SYS 1586 WAT H1 B 0.417000 1.0079 + 4758 SYS 1586 WAT H2 B 0.417000 1.0079 + 4759 SYS 1587 WAT O1 D -0.834000 15.9994 + 4760 SYS 1587 WAT H1 B 0.417000 1.0079 + 4761 SYS 1587 WAT H2 B 0.417000 1.0079 + 4762 SYS 1588 WAT O1 D -0.834000 15.9994 + 4763 SYS 1588 WAT H1 B 0.417000 1.0079 + 4764 SYS 1588 WAT H2 B 0.417000 1.0079 + 4765 SYS 1589 WAT O1 D -0.834000 15.9994 + 4766 SYS 1589 WAT H1 B 0.417000 1.0079 + 4767 SYS 1589 WAT H2 B 0.417000 1.0079 + 4768 SYS 1590 WAT O1 D -0.834000 15.9994 + 4769 SYS 1590 WAT H1 B 0.417000 1.0079 + 4770 SYS 1590 WAT H2 B 0.417000 1.0079 + 4771 SYS 1591 WAT O1 D -0.834000 15.9994 + 4772 SYS 1591 WAT H1 B 0.417000 1.0079 + 4773 SYS 1591 WAT H2 B 0.417000 1.0079 + 4774 SYS 1592 WAT O1 D -0.834000 15.9994 + 4775 SYS 1592 WAT H1 B 0.417000 1.0079 + 4776 SYS 1592 WAT H2 B 0.417000 1.0079 + 4777 SYS 1593 WAT O1 D -0.834000 15.9994 + 4778 SYS 1593 WAT H1 B 0.417000 1.0079 + 4779 SYS 1593 WAT H2 B 0.417000 1.0079 + 4780 SYS 1594 WAT O1 D -0.834000 15.9994 + 4781 SYS 1594 WAT H1 B 0.417000 1.0079 + 4782 SYS 1594 WAT H2 B 0.417000 1.0079 + 4783 SYS 1595 WAT O1 D -0.834000 15.9994 + 4784 SYS 1595 WAT H1 B 0.417000 1.0079 + 4785 SYS 1595 WAT H2 B 0.417000 1.0079 + 4786 SYS 1596 WAT O1 D -0.834000 15.9994 + 4787 SYS 1596 WAT H1 B 0.417000 1.0079 + 4788 SYS 1596 WAT H2 B 0.417000 1.0079 + 4789 SYS 1597 WAT O1 D -0.834000 15.9994 + 4790 SYS 1597 WAT H1 B 0.417000 1.0079 + 4791 SYS 1597 WAT H2 B 0.417000 1.0079 + 4792 SYS 1598 WAT O1 D -0.834000 15.9994 + 4793 SYS 1598 WAT H1 B 0.417000 1.0079 + 4794 SYS 1598 WAT H2 B 0.417000 1.0079 + 4795 SYS 1599 WAT O1 D -0.834000 15.9994 + 4796 SYS 1599 WAT H1 B 0.417000 1.0079 + 4797 SYS 1599 WAT H2 B 0.417000 1.0079 + 4798 SYS 1600 WAT O1 D -0.834000 15.9994 + 4799 SYS 1600 WAT H1 B 0.417000 1.0079 + 4800 SYS 1600 WAT H2 B 0.417000 1.0079 + 4801 SYS 1601 WAT O1 D -0.834000 15.9994 + 4802 SYS 1601 WAT H1 B 0.417000 1.0079 + 4803 SYS 1601 WAT H2 B 0.417000 1.0079 + 4804 SYS 1602 WAT O1 D -0.834000 15.9994 + 4805 SYS 1602 WAT H1 B 0.417000 1.0079 + 4806 SYS 1602 WAT H2 B 0.417000 1.0079 + 4807 SYS 1603 WAT O1 D -0.834000 15.9994 + 4808 SYS 1603 WAT H1 B 0.417000 1.0079 + 4809 SYS 1603 WAT H2 B 0.417000 1.0079 + 4810 SYS 1604 WAT O1 D -0.834000 15.9994 + 4811 SYS 1604 WAT H1 B 0.417000 1.0079 + 4812 SYS 1604 WAT H2 B 0.417000 1.0079 + 4813 SYS 1605 WAT O1 D -0.834000 15.9994 + 4814 SYS 1605 WAT H1 B 0.417000 1.0079 + 4815 SYS 1605 WAT H2 B 0.417000 1.0079 + 4816 SYS 1606 WAT O1 D -0.834000 15.9994 + 4817 SYS 1606 WAT H1 B 0.417000 1.0079 + 4818 SYS 1606 WAT H2 B 0.417000 1.0079 + 4819 SYS 1607 WAT O1 D -0.834000 15.9994 + 4820 SYS 1607 WAT H1 B 0.417000 1.0079 + 4821 SYS 1607 WAT H2 B 0.417000 1.0079 + 4822 SYS 1608 WAT O1 D -0.834000 15.9994 + 4823 SYS 1608 WAT H1 B 0.417000 1.0079 + 4824 SYS 1608 WAT H2 B 0.417000 1.0079 + 4825 SYS 1609 WAT O1 D -0.834000 15.9994 + 4826 SYS 1609 WAT H1 B 0.417000 1.0079 + 4827 SYS 1609 WAT H2 B 0.417000 1.0079 + 4828 SYS 1610 WAT O1 D -0.834000 15.9994 + 4829 SYS 1610 WAT H1 B 0.417000 1.0079 + 4830 SYS 1610 WAT H2 B 0.417000 1.0079 + 4831 SYS 1611 WAT O1 D -0.834000 15.9994 + 4832 SYS 1611 WAT H1 B 0.417000 1.0079 + 4833 SYS 1611 WAT H2 B 0.417000 1.0079 + 4834 SYS 1612 WAT O1 D -0.834000 15.9994 + 4835 SYS 1612 WAT H1 B 0.417000 1.0079 + 4836 SYS 1612 WAT H2 B 0.417000 1.0079 + 4837 SYS 1613 WAT O1 D -0.834000 15.9994 + 4838 SYS 1613 WAT H1 B 0.417000 1.0079 + 4839 SYS 1613 WAT H2 B 0.417000 1.0079 + 4840 SYS 1614 WAT O1 D -0.834000 15.9994 + 4841 SYS 1614 WAT H1 B 0.417000 1.0079 + 4842 SYS 1614 WAT H2 B 0.417000 1.0079 + 4843 SYS 1615 WAT O1 D -0.834000 15.9994 + 4844 SYS 1615 WAT H1 B 0.417000 1.0079 + 4845 SYS 1615 WAT H2 B 0.417000 1.0079 + 4846 SYS 1616 WAT O1 D -0.834000 15.9994 + 4847 SYS 1616 WAT H1 B 0.417000 1.0079 + 4848 SYS 1616 WAT H2 B 0.417000 1.0079 + 4849 SYS 1617 WAT O1 D -0.834000 15.9994 + 4850 SYS 1617 WAT H1 B 0.417000 1.0079 + 4851 SYS 1617 WAT H2 B 0.417000 1.0079 + 4852 SYS 1618 WAT O1 D -0.834000 15.9994 + 4853 SYS 1618 WAT H1 B 0.417000 1.0079 + 4854 SYS 1618 WAT H2 B 0.417000 1.0079 + 4855 SYS 1619 WAT O1 D -0.834000 15.9994 + 4856 SYS 1619 WAT H1 B 0.417000 1.0079 + 4857 SYS 1619 WAT H2 B 0.417000 1.0079 + 4858 SYS 1620 WAT O1 D -0.834000 15.9994 + 4859 SYS 1620 WAT H1 B 0.417000 1.0079 + 4860 SYS 1620 WAT H2 B 0.417000 1.0079 + 4861 SYS 1621 WAT O1 D -0.834000 15.9994 + 4862 SYS 1621 WAT H1 B 0.417000 1.0079 + 4863 SYS 1621 WAT H2 B 0.417000 1.0079 + 4864 SYS 1622 WAT O1 D -0.834000 15.9994 + 4865 SYS 1622 WAT H1 B 0.417000 1.0079 + 4866 SYS 1622 WAT H2 B 0.417000 1.0079 + 4867 SYS 1623 WAT O1 D -0.834000 15.9994 + 4868 SYS 1623 WAT H1 B 0.417000 1.0079 + 4869 SYS 1623 WAT H2 B 0.417000 1.0079 + 4870 SYS 1624 WAT O1 D -0.834000 15.9994 + 4871 SYS 1624 WAT H1 B 0.417000 1.0079 + 4872 SYS 1624 WAT H2 B 0.417000 1.0079 + 4873 SYS 1625 WAT O1 D -0.834000 15.9994 + 4874 SYS 1625 WAT H1 B 0.417000 1.0079 + 4875 SYS 1625 WAT H2 B 0.417000 1.0079 + 4876 SYS 1626 WAT O1 D -0.834000 15.9994 + 4877 SYS 1626 WAT H1 B 0.417000 1.0079 + 4878 SYS 1626 WAT H2 B 0.417000 1.0079 + 4879 SYS 1627 WAT O1 D -0.834000 15.9994 + 4880 SYS 1627 WAT H1 B 0.417000 1.0079 + 4881 SYS 1627 WAT H2 B 0.417000 1.0079 + 4882 SYS 1628 WAT O1 D -0.834000 15.9994 + 4883 SYS 1628 WAT H1 B 0.417000 1.0079 + 4884 SYS 1628 WAT H2 B 0.417000 1.0079 + 4885 SYS 1629 WAT O1 D -0.834000 15.9994 + 4886 SYS 1629 WAT H1 B 0.417000 1.0079 + 4887 SYS 1629 WAT H2 B 0.417000 1.0079 + 4888 SYS 1630 WAT O1 D -0.834000 15.9994 + 4889 SYS 1630 WAT H1 B 0.417000 1.0079 + 4890 SYS 1630 WAT H2 B 0.417000 1.0079 + 4891 SYS 1631 WAT O1 D -0.834000 15.9994 + 4892 SYS 1631 WAT H1 B 0.417000 1.0079 + 4893 SYS 1631 WAT H2 B 0.417000 1.0079 + 4894 SYS 1632 WAT O1 D -0.834000 15.9994 + 4895 SYS 1632 WAT H1 B 0.417000 1.0079 + 4896 SYS 1632 WAT H2 B 0.417000 1.0079 + 4897 SYS 1633 WAT O1 D -0.834000 15.9994 + 4898 SYS 1633 WAT H1 B 0.417000 1.0079 + 4899 SYS 1633 WAT H2 B 0.417000 1.0079 + 4900 SYS 1634 WAT O1 D -0.834000 15.9994 + 4901 SYS 1634 WAT H1 B 0.417000 1.0079 + 4902 SYS 1634 WAT H2 B 0.417000 1.0079 + 4903 SYS 1635 WAT O1 D -0.834000 15.9994 + 4904 SYS 1635 WAT H1 B 0.417000 1.0079 + 4905 SYS 1635 WAT H2 B 0.417000 1.0079 + 4906 SYS 1636 WAT O1 D -0.834000 15.9994 + 4907 SYS 1636 WAT H1 B 0.417000 1.0079 + 4908 SYS 1636 WAT H2 B 0.417000 1.0079 + 4909 SYS 1637 WAT O1 D -0.834000 15.9994 + 4910 SYS 1637 WAT H1 B 0.417000 1.0079 + 4911 SYS 1637 WAT H2 B 0.417000 1.0079 + 4912 SYS 1638 WAT O1 D -0.834000 15.9994 + 4913 SYS 1638 WAT H1 B 0.417000 1.0079 + 4914 SYS 1638 WAT H2 B 0.417000 1.0079 + 4915 SYS 1639 WAT O1 D -0.834000 15.9994 + 4916 SYS 1639 WAT H1 B 0.417000 1.0079 + 4917 SYS 1639 WAT H2 B 0.417000 1.0079 + 4918 SYS 1640 WAT O1 D -0.834000 15.9994 + 4919 SYS 1640 WAT H1 B 0.417000 1.0079 + 4920 SYS 1640 WAT H2 B 0.417000 1.0079 + 4921 SYS 1641 WAT O1 D -0.834000 15.9994 + 4922 SYS 1641 WAT H1 B 0.417000 1.0079 + 4923 SYS 1641 WAT H2 B 0.417000 1.0079 + 4924 SYS 1642 WAT O1 D -0.834000 15.9994 + 4925 SYS 1642 WAT H1 B 0.417000 1.0079 + 4926 SYS 1642 WAT H2 B 0.417000 1.0079 + 4927 SYS 1643 WAT O1 D -0.834000 15.9994 + 4928 SYS 1643 WAT H1 B 0.417000 1.0079 + 4929 SYS 1643 WAT H2 B 0.417000 1.0079 + 4930 SYS 1644 WAT O1 D -0.834000 15.9994 + 4931 SYS 1644 WAT H1 B 0.417000 1.0079 + 4932 SYS 1644 WAT H2 B 0.417000 1.0079 + 4933 SYS 1645 WAT O1 D -0.834000 15.9994 + 4934 SYS 1645 WAT H1 B 0.417000 1.0079 + 4935 SYS 1645 WAT H2 B 0.417000 1.0079 + 4936 SYS 1646 WAT O1 D -0.834000 15.9994 + 4937 SYS 1646 WAT H1 B 0.417000 1.0079 + 4938 SYS 1646 WAT H2 B 0.417000 1.0079 + 4939 SYS 1647 WAT O1 D -0.834000 15.9994 + 4940 SYS 1647 WAT H1 B 0.417000 1.0079 + 4941 SYS 1647 WAT H2 B 0.417000 1.0079 + 4942 SYS 1648 WAT O1 D -0.834000 15.9994 + 4943 SYS 1648 WAT H1 B 0.417000 1.0079 + 4944 SYS 1648 WAT H2 B 0.417000 1.0079 + 4945 SYS 1649 WAT O1 D -0.834000 15.9994 + 4946 SYS 1649 WAT H1 B 0.417000 1.0079 + 4947 SYS 1649 WAT H2 B 0.417000 1.0079 + 4948 SYS 1650 WAT O1 D -0.834000 15.9994 + 4949 SYS 1650 WAT H1 B 0.417000 1.0079 + 4950 SYS 1650 WAT H2 B 0.417000 1.0079 + 4951 SYS 1651 WAT O1 D -0.834000 15.9994 + 4952 SYS 1651 WAT H1 B 0.417000 1.0079 + 4953 SYS 1651 WAT H2 B 0.417000 1.0079 + 4954 SYS 1652 WAT O1 D -0.834000 15.9994 + 4955 SYS 1652 WAT H1 B 0.417000 1.0079 + 4956 SYS 1652 WAT H2 B 0.417000 1.0079 + 4957 SYS 1653 WAT O1 D -0.834000 15.9994 + 4958 SYS 1653 WAT H1 B 0.417000 1.0079 + 4959 SYS 1653 WAT H2 B 0.417000 1.0079 + 4960 SYS 1654 WAT O1 D -0.834000 15.9994 + 4961 SYS 1654 WAT H1 B 0.417000 1.0079 + 4962 SYS 1654 WAT H2 B 0.417000 1.0079 + 4963 SYS 1655 WAT O1 D -0.834000 15.9994 + 4964 SYS 1655 WAT H1 B 0.417000 1.0079 + 4965 SYS 1655 WAT H2 B 0.417000 1.0079 + 4966 SYS 1656 WAT O1 D -0.834000 15.9994 + 4967 SYS 1656 WAT H1 B 0.417000 1.0079 + 4968 SYS 1656 WAT H2 B 0.417000 1.0079 + 4969 SYS 1657 WAT O1 D -0.834000 15.9994 + 4970 SYS 1657 WAT H1 B 0.417000 1.0079 + 4971 SYS 1657 WAT H2 B 0.417000 1.0079 + 4972 SYS 1658 WAT O1 D -0.834000 15.9994 + 4973 SYS 1658 WAT H1 B 0.417000 1.0079 + 4974 SYS 1658 WAT H2 B 0.417000 1.0079 + 4975 SYS 1659 WAT O1 D -0.834000 15.9994 + 4976 SYS 1659 WAT H1 B 0.417000 1.0079 + 4977 SYS 1659 WAT H2 B 0.417000 1.0079 + 4978 SYS 1660 WAT O1 D -0.834000 15.9994 + 4979 SYS 1660 WAT H1 B 0.417000 1.0079 + 4980 SYS 1660 WAT H2 B 0.417000 1.0079 + 4981 SYS 1661 WAT O1 D -0.834000 15.9994 + 4982 SYS 1661 WAT H1 B 0.417000 1.0079 + 4983 SYS 1661 WAT H2 B 0.417000 1.0079 + 4984 SYS 1662 WAT O1 D -0.834000 15.9994 + 4985 SYS 1662 WAT H1 B 0.417000 1.0079 + 4986 SYS 1662 WAT H2 B 0.417000 1.0079 + 4987 SYS 1663 WAT O1 D -0.834000 15.9994 + 4988 SYS 1663 WAT H1 B 0.417000 1.0079 + 4989 SYS 1663 WAT H2 B 0.417000 1.0079 + 4990 SYS 1664 WAT O1 D -0.834000 15.9994 + 4991 SYS 1664 WAT H1 B 0.417000 1.0079 + 4992 SYS 1664 WAT H2 B 0.417000 1.0079 + 4993 SYS 1665 WAT O1 D -0.834000 15.9994 + 4994 SYS 1665 WAT H1 B 0.417000 1.0079 + 4995 SYS 1665 WAT H2 B 0.417000 1.0079 + 4996 SYS 1666 WAT O1 D -0.834000 15.9994 + 4997 SYS 1666 WAT H1 B 0.417000 1.0079 + 4998 SYS 1666 WAT H2 B 0.417000 1.0079 + 4999 SYS 1667 WAT O1 D -0.834000 15.9994 + 5000 SYS 1667 WAT H1 B 0.417000 1.0079 + 5001 SYS 1667 WAT H2 B 0.417000 1.0079 + 5002 SYS 1668 WAT O1 D -0.834000 15.9994 + 5003 SYS 1668 WAT H1 B 0.417000 1.0079 + 5004 SYS 1668 WAT H2 B 0.417000 1.0079 + 5005 SYS 1669 WAT O1 D -0.834000 15.9994 + 5006 SYS 1669 WAT H1 B 0.417000 1.0079 + 5007 SYS 1669 WAT H2 B 0.417000 1.0079 + 5008 SYS 1670 WAT O1 D -0.834000 15.9994 + 5009 SYS 1670 WAT H1 B 0.417000 1.0079 + 5010 SYS 1670 WAT H2 B 0.417000 1.0079 + 5011 SYS 1671 WAT O1 D -0.834000 15.9994 + 5012 SYS 1671 WAT H1 B 0.417000 1.0079 + 5013 SYS 1671 WAT H2 B 0.417000 1.0079 + 5014 SYS 1672 WAT O1 D -0.834000 15.9994 + 5015 SYS 1672 WAT H1 B 0.417000 1.0079 + 5016 SYS 1672 WAT H2 B 0.417000 1.0079 + 5017 SYS 1673 WAT O1 D -0.834000 15.9994 + 5018 SYS 1673 WAT H1 B 0.417000 1.0079 + 5019 SYS 1673 WAT H2 B 0.417000 1.0079 + 5020 SYS 1674 WAT O1 D -0.834000 15.9994 + 5021 SYS 1674 WAT H1 B 0.417000 1.0079 + 5022 SYS 1674 WAT H2 B 0.417000 1.0079 + 5023 SYS 1675 WAT O1 D -0.834000 15.9994 + 5024 SYS 1675 WAT H1 B 0.417000 1.0079 + 5025 SYS 1675 WAT H2 B 0.417000 1.0079 + 5026 SYS 1676 WAT O1 D -0.834000 15.9994 + 5027 SYS 1676 WAT H1 B 0.417000 1.0079 + 5028 SYS 1676 WAT H2 B 0.417000 1.0079 + 5029 SYS 1677 WAT O1 D -0.834000 15.9994 + 5030 SYS 1677 WAT H1 B 0.417000 1.0079 + 5031 SYS 1677 WAT H2 B 0.417000 1.0079 + 5032 SYS 1678 WAT O1 D -0.834000 15.9994 + 5033 SYS 1678 WAT H1 B 0.417000 1.0079 + 5034 SYS 1678 WAT H2 B 0.417000 1.0079 + 5035 SYS 1679 WAT O1 D -0.834000 15.9994 + 5036 SYS 1679 WAT H1 B 0.417000 1.0079 + 5037 SYS 1679 WAT H2 B 0.417000 1.0079 + 5038 SYS 1680 WAT O1 D -0.834000 15.9994 + 5039 SYS 1680 WAT H1 B 0.417000 1.0079 + 5040 SYS 1680 WAT H2 B 0.417000 1.0079 + 5041 SYS 1681 WAT O1 D -0.834000 15.9994 + 5042 SYS 1681 WAT H1 B 0.417000 1.0079 + 5043 SYS 1681 WAT H2 B 0.417000 1.0079 + 5044 SYS 1682 WAT O1 D -0.834000 15.9994 + 5045 SYS 1682 WAT H1 B 0.417000 1.0079 + 5046 SYS 1682 WAT H2 B 0.417000 1.0079 + 5047 SYS 1683 WAT O1 D -0.834000 15.9994 + 5048 SYS 1683 WAT H1 B 0.417000 1.0079 + 5049 SYS 1683 WAT H2 B 0.417000 1.0079 + 5050 SYS 1684 WAT O1 D -0.834000 15.9994 + 5051 SYS 1684 WAT H1 B 0.417000 1.0079 + 5052 SYS 1684 WAT H2 B 0.417000 1.0079 + 5053 SYS 1685 WAT O1 D -0.834000 15.9994 + 5054 SYS 1685 WAT H1 B 0.417000 1.0079 + 5055 SYS 1685 WAT H2 B 0.417000 1.0079 + 5056 SYS 1686 WAT O1 D -0.834000 15.9994 + 5057 SYS 1686 WAT H1 B 0.417000 1.0079 + 5058 SYS 1686 WAT H2 B 0.417000 1.0079 + 5059 SYS 1687 WAT O1 D -0.834000 15.9994 + 5060 SYS 1687 WAT H1 B 0.417000 1.0079 + 5061 SYS 1687 WAT H2 B 0.417000 1.0079 + 5062 SYS 1688 WAT O1 D -0.834000 15.9994 + 5063 SYS 1688 WAT H1 B 0.417000 1.0079 + 5064 SYS 1688 WAT H2 B 0.417000 1.0079 + 5065 SYS 1689 WAT O1 D -0.834000 15.9994 + 5066 SYS 1689 WAT H1 B 0.417000 1.0079 + 5067 SYS 1689 WAT H2 B 0.417000 1.0079 + 5068 SYS 1690 WAT O1 D -0.834000 15.9994 + 5069 SYS 1690 WAT H1 B 0.417000 1.0079 + 5070 SYS 1690 WAT H2 B 0.417000 1.0079 + 5071 SYS 1691 WAT O1 D -0.834000 15.9994 + 5072 SYS 1691 WAT H1 B 0.417000 1.0079 + 5073 SYS 1691 WAT H2 B 0.417000 1.0079 + 5074 SYS 1692 WAT O1 D -0.834000 15.9994 + 5075 SYS 1692 WAT H1 B 0.417000 1.0079 + 5076 SYS 1692 WAT H2 B 0.417000 1.0079 + 5077 SYS 1693 WAT O1 D -0.834000 15.9994 + 5078 SYS 1693 WAT H1 B 0.417000 1.0079 + 5079 SYS 1693 WAT H2 B 0.417000 1.0079 + 5080 SYS 1694 WAT O1 D -0.834000 15.9994 + 5081 SYS 1694 WAT H1 B 0.417000 1.0079 + 5082 SYS 1694 WAT H2 B 0.417000 1.0079 + 5083 SYS 1695 WAT O1 D -0.834000 15.9994 + 5084 SYS 1695 WAT H1 B 0.417000 1.0079 + 5085 SYS 1695 WAT H2 B 0.417000 1.0079 + 5086 SYS 1696 WAT O1 D -0.834000 15.9994 + 5087 SYS 1696 WAT H1 B 0.417000 1.0079 + 5088 SYS 1696 WAT H2 B 0.417000 1.0079 + 5089 SYS 1697 WAT O1 D -0.834000 15.9994 + 5090 SYS 1697 WAT H1 B 0.417000 1.0079 + 5091 SYS 1697 WAT H2 B 0.417000 1.0079 + 5092 SYS 1698 WAT O1 D -0.834000 15.9994 + 5093 SYS 1698 WAT H1 B 0.417000 1.0079 + 5094 SYS 1698 WAT H2 B 0.417000 1.0079 + 5095 SYS 1699 WAT O1 D -0.834000 15.9994 + 5096 SYS 1699 WAT H1 B 0.417000 1.0079 + 5097 SYS 1699 WAT H2 B 0.417000 1.0079 + 5098 SYS 1700 WAT O1 D -0.834000 15.9994 + 5099 SYS 1700 WAT H1 B 0.417000 1.0079 + 5100 SYS 1700 WAT H2 B 0.417000 1.0079 + 5101 SYS 1701 WAT O1 D -0.834000 15.9994 + 5102 SYS 1701 WAT H1 B 0.417000 1.0079 + 5103 SYS 1701 WAT H2 B 0.417000 1.0079 + 5104 SYS 1702 WAT O1 D -0.834000 15.9994 + 5105 SYS 1702 WAT H1 B 0.417000 1.0079 + 5106 SYS 1702 WAT H2 B 0.417000 1.0079 + 5107 SYS 1703 WAT O1 D -0.834000 15.9994 + 5108 SYS 1703 WAT H1 B 0.417000 1.0079 + 5109 SYS 1703 WAT H2 B 0.417000 1.0079 + 5110 SYS 1704 WAT O1 D -0.834000 15.9994 + 5111 SYS 1704 WAT H1 B 0.417000 1.0079 + 5112 SYS 1704 WAT H2 B 0.417000 1.0079 + 5113 SYS 1705 WAT O1 D -0.834000 15.9994 + 5114 SYS 1705 WAT H1 B 0.417000 1.0079 + 5115 SYS 1705 WAT H2 B 0.417000 1.0079 + 5116 SYS 1706 WAT O1 D -0.834000 15.9994 + 5117 SYS 1706 WAT H1 B 0.417000 1.0079 + 5118 SYS 1706 WAT H2 B 0.417000 1.0079 + 5119 SYS 1707 WAT O1 D -0.834000 15.9994 + 5120 SYS 1707 WAT H1 B 0.417000 1.0079 + 5121 SYS 1707 WAT H2 B 0.417000 1.0079 + 5122 SYS 1708 WAT O1 D -0.834000 15.9994 + 5123 SYS 1708 WAT H1 B 0.417000 1.0079 + 5124 SYS 1708 WAT H2 B 0.417000 1.0079 + 5125 SYS 1709 WAT O1 D -0.834000 15.9994 + 5126 SYS 1709 WAT H1 B 0.417000 1.0079 + 5127 SYS 1709 WAT H2 B 0.417000 1.0079 + 5128 SYS 1710 WAT O1 D -0.834000 15.9994 + 5129 SYS 1710 WAT H1 B 0.417000 1.0079 + 5130 SYS 1710 WAT H2 B 0.417000 1.0079 + 5131 SYS 1711 WAT O1 D -0.834000 15.9994 + 5132 SYS 1711 WAT H1 B 0.417000 1.0079 + 5133 SYS 1711 WAT H2 B 0.417000 1.0079 + 5134 SYS 1712 WAT O1 D -0.834000 15.9994 + 5135 SYS 1712 WAT H1 B 0.417000 1.0079 + 5136 SYS 1712 WAT H2 B 0.417000 1.0079 + 5137 SYS 1713 WAT O1 D -0.834000 15.9994 + 5138 SYS 1713 WAT H1 B 0.417000 1.0079 + 5139 SYS 1713 WAT H2 B 0.417000 1.0079 + 5140 SYS 1714 WAT O1 D -0.834000 15.9994 + 5141 SYS 1714 WAT H1 B 0.417000 1.0079 + 5142 SYS 1714 WAT H2 B 0.417000 1.0079 + 5143 SYS 1715 WAT O1 D -0.834000 15.9994 + 5144 SYS 1715 WAT H1 B 0.417000 1.0079 + 5145 SYS 1715 WAT H2 B 0.417000 1.0079 + 5146 SYS 1716 WAT O1 D -0.834000 15.9994 + 5147 SYS 1716 WAT H1 B 0.417000 1.0079 + 5148 SYS 1716 WAT H2 B 0.417000 1.0079 + 5149 SYS 1717 WAT O1 D -0.834000 15.9994 + 5150 SYS 1717 WAT H1 B 0.417000 1.0079 + 5151 SYS 1717 WAT H2 B 0.417000 1.0079 + 5152 SYS 1718 WAT O1 D -0.834000 15.9994 + 5153 SYS 1718 WAT H1 B 0.417000 1.0079 + 5154 SYS 1718 WAT H2 B 0.417000 1.0079 + 5155 SYS 1719 WAT O1 D -0.834000 15.9994 + 5156 SYS 1719 WAT H1 B 0.417000 1.0079 + 5157 SYS 1719 WAT H2 B 0.417000 1.0079 + 5158 SYS 1720 WAT O1 D -0.834000 15.9994 + 5159 SYS 1720 WAT H1 B 0.417000 1.0079 + 5160 SYS 1720 WAT H2 B 0.417000 1.0079 + 5161 SYS 1721 WAT O1 D -0.834000 15.9994 + 5162 SYS 1721 WAT H1 B 0.417000 1.0079 + 5163 SYS 1721 WAT H2 B 0.417000 1.0079 + 5164 SYS 1722 WAT O1 D -0.834000 15.9994 + 5165 SYS 1722 WAT H1 B 0.417000 1.0079 + 5166 SYS 1722 WAT H2 B 0.417000 1.0079 + 5167 SYS 1723 WAT O1 D -0.834000 15.9994 + 5168 SYS 1723 WAT H1 B 0.417000 1.0079 + 5169 SYS 1723 WAT H2 B 0.417000 1.0079 + 5170 SYS 1724 WAT O1 D -0.834000 15.9994 + 5171 SYS 1724 WAT H1 B 0.417000 1.0079 + 5172 SYS 1724 WAT H2 B 0.417000 1.0079 + 5173 SYS 1725 WAT O1 D -0.834000 15.9994 + 5174 SYS 1725 WAT H1 B 0.417000 1.0079 + 5175 SYS 1725 WAT H2 B 0.417000 1.0079 + 5176 SYS 1726 WAT O1 D -0.834000 15.9994 + 5177 SYS 1726 WAT H1 B 0.417000 1.0079 + 5178 SYS 1726 WAT H2 B 0.417000 1.0079 + 5179 SYS 1727 WAT O1 D -0.834000 15.9994 + 5180 SYS 1727 WAT H1 B 0.417000 1.0079 + 5181 SYS 1727 WAT H2 B 0.417000 1.0079 + 5182 SYS 1728 WAT O1 D -0.834000 15.9994 + 5183 SYS 1728 WAT H1 B 0.417000 1.0079 + 5184 SYS 1728 WAT H2 B 0.417000 1.0079 + 5185 SYS 1729 WAT O1 D -0.834000 15.9994 + 5186 SYS 1729 WAT H1 B 0.417000 1.0079 + 5187 SYS 1729 WAT H2 B 0.417000 1.0079 + 5188 SYS 1730 WAT O1 D -0.834000 15.9994 + 5189 SYS 1730 WAT H1 B 0.417000 1.0079 + 5190 SYS 1730 WAT H2 B 0.417000 1.0079 + 5191 SYS 1731 WAT O1 D -0.834000 15.9994 + 5192 SYS 1731 WAT H1 B 0.417000 1.0079 + 5193 SYS 1731 WAT H2 B 0.417000 1.0079 + 5194 SYS 1732 WAT O1 D -0.834000 15.9994 + 5195 SYS 1732 WAT H1 B 0.417000 1.0079 + 5196 SYS 1732 WAT H2 B 0.417000 1.0079 + 5197 SYS 1733 WAT O1 D -0.834000 15.9994 + 5198 SYS 1733 WAT H1 B 0.417000 1.0079 + 5199 SYS 1733 WAT H2 B 0.417000 1.0079 + 5200 SYS 1734 WAT O1 D -0.834000 15.9994 + 5201 SYS 1734 WAT H1 B 0.417000 1.0079 + 5202 SYS 1734 WAT H2 B 0.417000 1.0079 + 5203 SYS 1735 WAT O1 D -0.834000 15.9994 + 5204 SYS 1735 WAT H1 B 0.417000 1.0079 + 5205 SYS 1735 WAT H2 B 0.417000 1.0079 + 5206 SYS 1736 WAT O1 D -0.834000 15.9994 + 5207 SYS 1736 WAT H1 B 0.417000 1.0079 + 5208 SYS 1736 WAT H2 B 0.417000 1.0079 + 5209 SYS 1737 WAT O1 D -0.834000 15.9994 + 5210 SYS 1737 WAT H1 B 0.417000 1.0079 + 5211 SYS 1737 WAT H2 B 0.417000 1.0079 + 5212 SYS 1738 WAT O1 D -0.834000 15.9994 + 5213 SYS 1738 WAT H1 B 0.417000 1.0079 + 5214 SYS 1738 WAT H2 B 0.417000 1.0079 + 5215 SYS 1739 WAT O1 D -0.834000 15.9994 + 5216 SYS 1739 WAT H1 B 0.417000 1.0079 + 5217 SYS 1739 WAT H2 B 0.417000 1.0079 + 5218 SYS 1740 WAT O1 D -0.834000 15.9994 + 5219 SYS 1740 WAT H1 B 0.417000 1.0079 + 5220 SYS 1740 WAT H2 B 0.417000 1.0079 + 5221 SYS 1741 WAT O1 D -0.834000 15.9994 + 5222 SYS 1741 WAT H1 B 0.417000 1.0079 + 5223 SYS 1741 WAT H2 B 0.417000 1.0079 + 5224 SYS 1742 WAT O1 D -0.834000 15.9994 + 5225 SYS 1742 WAT H1 B 0.417000 1.0079 + 5226 SYS 1742 WAT H2 B 0.417000 1.0079 + 5227 SYS 1743 WAT O1 D -0.834000 15.9994 + 5228 SYS 1743 WAT H1 B 0.417000 1.0079 + 5229 SYS 1743 WAT H2 B 0.417000 1.0079 + 5230 SYS 1744 WAT O1 D -0.834000 15.9994 + 5231 SYS 1744 WAT H1 B 0.417000 1.0079 + 5232 SYS 1744 WAT H2 B 0.417000 1.0079 + 5233 SYS 1745 WAT O1 D -0.834000 15.9994 + 5234 SYS 1745 WAT H1 B 0.417000 1.0079 + 5235 SYS 1745 WAT H2 B 0.417000 1.0079 + 5236 SYS 1746 WAT O1 D -0.834000 15.9994 + 5237 SYS 1746 WAT H1 B 0.417000 1.0079 + 5238 SYS 1746 WAT H2 B 0.417000 1.0079 + 5239 SYS 1747 WAT O1 D -0.834000 15.9994 + 5240 SYS 1747 WAT H1 B 0.417000 1.0079 + 5241 SYS 1747 WAT H2 B 0.417000 1.0079 + 5242 SYS 1748 WAT O1 D -0.834000 15.9994 + 5243 SYS 1748 WAT H1 B 0.417000 1.0079 + 5244 SYS 1748 WAT H2 B 0.417000 1.0079 + 5245 SYS 1749 WAT O1 D -0.834000 15.9994 + 5246 SYS 1749 WAT H1 B 0.417000 1.0079 + 5247 SYS 1749 WAT H2 B 0.417000 1.0079 + 5248 SYS 1750 WAT O1 D -0.834000 15.9994 + 5249 SYS 1750 WAT H1 B 0.417000 1.0079 + 5250 SYS 1750 WAT H2 B 0.417000 1.0079 + 5251 SYS 1751 WAT O1 D -0.834000 15.9994 + 5252 SYS 1751 WAT H1 B 0.417000 1.0079 + 5253 SYS 1751 WAT H2 B 0.417000 1.0079 + 5254 SYS 1752 WAT O1 D -0.834000 15.9994 + 5255 SYS 1752 WAT H1 B 0.417000 1.0079 + 5256 SYS 1752 WAT H2 B 0.417000 1.0079 + 5257 SYS 1753 WAT O1 D -0.834000 15.9994 + 5258 SYS 1753 WAT H1 B 0.417000 1.0079 + 5259 SYS 1753 WAT H2 B 0.417000 1.0079 + 5260 SYS 1754 WAT O1 D -0.834000 15.9994 + 5261 SYS 1754 WAT H1 B 0.417000 1.0079 + 5262 SYS 1754 WAT H2 B 0.417000 1.0079 + 5263 SYS 1755 WAT O1 D -0.834000 15.9994 + 5264 SYS 1755 WAT H1 B 0.417000 1.0079 + 5265 SYS 1755 WAT H2 B 0.417000 1.0079 + 5266 SYS 1756 WAT O1 D -0.834000 15.9994 + 5267 SYS 1756 WAT H1 B 0.417000 1.0079 + 5268 SYS 1756 WAT H2 B 0.417000 1.0079 + 5269 SYS 1757 WAT O1 D -0.834000 15.9994 + 5270 SYS 1757 WAT H1 B 0.417000 1.0079 + 5271 SYS 1757 WAT H2 B 0.417000 1.0079 + 5272 SYS 1758 WAT O1 D -0.834000 15.9994 + 5273 SYS 1758 WAT H1 B 0.417000 1.0079 + 5274 SYS 1758 WAT H2 B 0.417000 1.0079 + 5275 SYS 1759 WAT O1 D -0.834000 15.9994 + 5276 SYS 1759 WAT H1 B 0.417000 1.0079 + 5277 SYS 1759 WAT H2 B 0.417000 1.0079 + 5278 SYS 1760 WAT O1 D -0.834000 15.9994 + 5279 SYS 1760 WAT H1 B 0.417000 1.0079 + 5280 SYS 1760 WAT H2 B 0.417000 1.0079 + 5281 SYS 1761 WAT O1 D -0.834000 15.9994 + 5282 SYS 1761 WAT H1 B 0.417000 1.0079 + 5283 SYS 1761 WAT H2 B 0.417000 1.0079 + 5284 SYS 1762 WAT O1 D -0.834000 15.9994 + 5285 SYS 1762 WAT H1 B 0.417000 1.0079 + 5286 SYS 1762 WAT H2 B 0.417000 1.0079 + 5287 SYS 1763 WAT O1 D -0.834000 15.9994 + 5288 SYS 1763 WAT H1 B 0.417000 1.0079 + 5289 SYS 1763 WAT H2 B 0.417000 1.0079 + 5290 SYS 1764 WAT O1 D -0.834000 15.9994 + 5291 SYS 1764 WAT H1 B 0.417000 1.0079 + 5292 SYS 1764 WAT H2 B 0.417000 1.0079 + 5293 SYS 1765 WAT O1 D -0.834000 15.9994 + 5294 SYS 1765 WAT H1 B 0.417000 1.0079 + 5295 SYS 1765 WAT H2 B 0.417000 1.0079 + 5296 SYS 1766 WAT O1 D -0.834000 15.9994 + 5297 SYS 1766 WAT H1 B 0.417000 1.0079 + 5298 SYS 1766 WAT H2 B 0.417000 1.0079 + 5299 SYS 1767 WAT O1 D -0.834000 15.9994 + 5300 SYS 1767 WAT H1 B 0.417000 1.0079 + 5301 SYS 1767 WAT H2 B 0.417000 1.0079 + 5302 SYS 1768 WAT O1 D -0.834000 15.9994 + 5303 SYS 1768 WAT H1 B 0.417000 1.0079 + 5304 SYS 1768 WAT H2 B 0.417000 1.0079 + 5305 SYS 1769 WAT O1 D -0.834000 15.9994 + 5306 SYS 1769 WAT H1 B 0.417000 1.0079 + 5307 SYS 1769 WAT H2 B 0.417000 1.0079 + 5308 SYS 1770 WAT O1 D -0.834000 15.9994 + 5309 SYS 1770 WAT H1 B 0.417000 1.0079 + 5310 SYS 1770 WAT H2 B 0.417000 1.0079 + 5311 SYS 1771 WAT O1 D -0.834000 15.9994 + 5312 SYS 1771 WAT H1 B 0.417000 1.0079 + 5313 SYS 1771 WAT H2 B 0.417000 1.0079 + 5314 SYS 1772 WAT O1 D -0.834000 15.9994 + 5315 SYS 1772 WAT H1 B 0.417000 1.0079 + 5316 SYS 1772 WAT H2 B 0.417000 1.0079 + 5317 SYS 1773 WAT O1 D -0.834000 15.9994 + 5318 SYS 1773 WAT H1 B 0.417000 1.0079 + 5319 SYS 1773 WAT H2 B 0.417000 1.0079 + 5320 SYS 1774 WAT O1 D -0.834000 15.9994 + 5321 SYS 1774 WAT H1 B 0.417000 1.0079 + 5322 SYS 1774 WAT H2 B 0.417000 1.0079 + 5323 SYS 1775 WAT O1 D -0.834000 15.9994 + 5324 SYS 1775 WAT H1 B 0.417000 1.0079 + 5325 SYS 1775 WAT H2 B 0.417000 1.0079 + 5326 SYS 1776 WAT O1 D -0.834000 15.9994 + 5327 SYS 1776 WAT H1 B 0.417000 1.0079 + 5328 SYS 1776 WAT H2 B 0.417000 1.0079 + 5329 SYS 1777 WAT O1 D -0.834000 15.9994 + 5330 SYS 1777 WAT H1 B 0.417000 1.0079 + 5331 SYS 1777 WAT H2 B 0.417000 1.0079 + 5332 SYS 1778 WAT O1 D -0.834000 15.9994 + 5333 SYS 1778 WAT H1 B 0.417000 1.0079 + 5334 SYS 1778 WAT H2 B 0.417000 1.0079 + 5335 SYS 1779 WAT O1 D -0.834000 15.9994 + 5336 SYS 1779 WAT H1 B 0.417000 1.0079 + 5337 SYS 1779 WAT H2 B 0.417000 1.0079 + 5338 SYS 1780 WAT O1 D -0.834000 15.9994 + 5339 SYS 1780 WAT H1 B 0.417000 1.0079 + 5340 SYS 1780 WAT H2 B 0.417000 1.0079 + 5341 SYS 1781 WAT O1 D -0.834000 15.9994 + 5342 SYS 1781 WAT H1 B 0.417000 1.0079 + 5343 SYS 1781 WAT H2 B 0.417000 1.0079 + 5344 SYS 1782 WAT O1 D -0.834000 15.9994 + 5345 SYS 1782 WAT H1 B 0.417000 1.0079 + 5346 SYS 1782 WAT H2 B 0.417000 1.0079 + 5347 SYS 1783 WAT O1 D -0.834000 15.9994 + 5348 SYS 1783 WAT H1 B 0.417000 1.0079 + 5349 SYS 1783 WAT H2 B 0.417000 1.0079 + 5350 SYS 1784 WAT O1 D -0.834000 15.9994 + 5351 SYS 1784 WAT H1 B 0.417000 1.0079 + 5352 SYS 1784 WAT H2 B 0.417000 1.0079 + 5353 SYS 1785 WAT O1 D -0.834000 15.9994 + 5354 SYS 1785 WAT H1 B 0.417000 1.0079 + 5355 SYS 1785 WAT H2 B 0.417000 1.0079 + 5356 SYS 1786 WAT O1 D -0.834000 15.9994 + 5357 SYS 1786 WAT H1 B 0.417000 1.0079 + 5358 SYS 1786 WAT H2 B 0.417000 1.0079 + 5359 SYS 1787 WAT O1 D -0.834000 15.9994 + 5360 SYS 1787 WAT H1 B 0.417000 1.0079 + 5361 SYS 1787 WAT H2 B 0.417000 1.0079 + 5362 SYS 1788 WAT O1 D -0.834000 15.9994 + 5363 SYS 1788 WAT H1 B 0.417000 1.0079 + 5364 SYS 1788 WAT H2 B 0.417000 1.0079 + 5365 SYS 1789 WAT O1 D -0.834000 15.9994 + 5366 SYS 1789 WAT H1 B 0.417000 1.0079 + 5367 SYS 1789 WAT H2 B 0.417000 1.0079 + 5368 SYS 1790 WAT O1 D -0.834000 15.9994 + 5369 SYS 1790 WAT H1 B 0.417000 1.0079 + 5370 SYS 1790 WAT H2 B 0.417000 1.0079 + 5371 SYS 1791 WAT O1 D -0.834000 15.9994 + 5372 SYS 1791 WAT H1 B 0.417000 1.0079 + 5373 SYS 1791 WAT H2 B 0.417000 1.0079 + 5374 SYS 1792 WAT O1 D -0.834000 15.9994 + 5375 SYS 1792 WAT H1 B 0.417000 1.0079 + 5376 SYS 1792 WAT H2 B 0.417000 1.0079 + 5377 SYS 1793 WAT O1 D -0.834000 15.9994 + 5378 SYS 1793 WAT H1 B 0.417000 1.0079 + 5379 SYS 1793 WAT H2 B 0.417000 1.0079 + 5380 SYS 1794 WAT O1 D -0.834000 15.9994 + 5381 SYS 1794 WAT H1 B 0.417000 1.0079 + 5382 SYS 1794 WAT H2 B 0.417000 1.0079 + 5383 SYS 1795 WAT O1 D -0.834000 15.9994 + 5384 SYS 1795 WAT H1 B 0.417000 1.0079 + 5385 SYS 1795 WAT H2 B 0.417000 1.0079 + 5386 SYS 1796 WAT O1 D -0.834000 15.9994 + 5387 SYS 1796 WAT H1 B 0.417000 1.0079 + 5388 SYS 1796 WAT H2 B 0.417000 1.0079 + 5389 SYS 1797 WAT O1 D -0.834000 15.9994 + 5390 SYS 1797 WAT H1 B 0.417000 1.0079 + 5391 SYS 1797 WAT H2 B 0.417000 1.0079 + 5392 SYS 1798 WAT O1 D -0.834000 15.9994 + 5393 SYS 1798 WAT H1 B 0.417000 1.0079 + 5394 SYS 1798 WAT H2 B 0.417000 1.0079 + 5395 SYS 1799 WAT O1 D -0.834000 15.9994 + 5396 SYS 1799 WAT H1 B 0.417000 1.0079 + 5397 SYS 1799 WAT H2 B 0.417000 1.0079 + 5398 SYS 1800 WAT O1 D -0.834000 15.9994 + 5399 SYS 1800 WAT H1 B 0.417000 1.0079 + 5400 SYS 1800 WAT H2 B 0.417000 1.0079 + 5401 SYS 1801 WAT O1 D -0.834000 15.9994 + 5402 SYS 1801 WAT H1 B 0.417000 1.0079 + 5403 SYS 1801 WAT H2 B 0.417000 1.0079 + 5404 SYS 1802 WAT O1 D -0.834000 15.9994 + 5405 SYS 1802 WAT H1 B 0.417000 1.0079 + 5406 SYS 1802 WAT H2 B 0.417000 1.0079 + 5407 SYS 1803 WAT O1 D -0.834000 15.9994 + 5408 SYS 1803 WAT H1 B 0.417000 1.0079 + 5409 SYS 1803 WAT H2 B 0.417000 1.0079 + 5410 SYS 1804 WAT O1 D -0.834000 15.9994 + 5411 SYS 1804 WAT H1 B 0.417000 1.0079 + 5412 SYS 1804 WAT H2 B 0.417000 1.0079 + 5413 SYS 1805 WAT O1 D -0.834000 15.9994 + 5414 SYS 1805 WAT H1 B 0.417000 1.0079 + 5415 SYS 1805 WAT H2 B 0.417000 1.0079 + 5416 SYS 1806 WAT O1 D -0.834000 15.9994 + 5417 SYS 1806 WAT H1 B 0.417000 1.0079 + 5418 SYS 1806 WAT H2 B 0.417000 1.0079 + 5419 SYS 1807 WAT O1 D -0.834000 15.9994 + 5420 SYS 1807 WAT H1 B 0.417000 1.0079 + 5421 SYS 1807 WAT H2 B 0.417000 1.0079 + 5422 SYS 1808 WAT O1 D -0.834000 15.9994 + 5423 SYS 1808 WAT H1 B 0.417000 1.0079 + 5424 SYS 1808 WAT H2 B 0.417000 1.0079 + 5425 SYS 1809 WAT O1 D -0.834000 15.9994 + 5426 SYS 1809 WAT H1 B 0.417000 1.0079 + 5427 SYS 1809 WAT H2 B 0.417000 1.0079 + 5428 SYS 1810 WAT O1 D -0.834000 15.9994 + 5429 SYS 1810 WAT H1 B 0.417000 1.0079 + 5430 SYS 1810 WAT H2 B 0.417000 1.0079 + 5431 SYS 1811 WAT O1 D -0.834000 15.9994 + 5432 SYS 1811 WAT H1 B 0.417000 1.0079 + 5433 SYS 1811 WAT H2 B 0.417000 1.0079 + 5434 SYS 1812 WAT O1 D -0.834000 15.9994 + 5435 SYS 1812 WAT H1 B 0.417000 1.0079 + 5436 SYS 1812 WAT H2 B 0.417000 1.0079 + 5437 SYS 1813 WAT O1 D -0.834000 15.9994 + 5438 SYS 1813 WAT H1 B 0.417000 1.0079 + 5439 SYS 1813 WAT H2 B 0.417000 1.0079 + 5440 SYS 1814 WAT O1 D -0.834000 15.9994 + 5441 SYS 1814 WAT H1 B 0.417000 1.0079 + 5442 SYS 1814 WAT H2 B 0.417000 1.0079 + 5443 SYS 1815 WAT O1 D -0.834000 15.9994 + 5444 SYS 1815 WAT H1 B 0.417000 1.0079 + 5445 SYS 1815 WAT H2 B 0.417000 1.0079 + 5446 SYS 1816 WAT O1 D -0.834000 15.9994 + 5447 SYS 1816 WAT H1 B 0.417000 1.0079 + 5448 SYS 1816 WAT H2 B 0.417000 1.0079 + 5449 SYS 1817 WAT O1 D -0.834000 15.9994 + 5450 SYS 1817 WAT H1 B 0.417000 1.0079 + 5451 SYS 1817 WAT H2 B 0.417000 1.0079 + 5452 SYS 1818 WAT O1 D -0.834000 15.9994 + 5453 SYS 1818 WAT H1 B 0.417000 1.0079 + 5454 SYS 1818 WAT H2 B 0.417000 1.0079 + 5455 SYS 1819 WAT O1 D -0.834000 15.9994 + 5456 SYS 1819 WAT H1 B 0.417000 1.0079 + 5457 SYS 1819 WAT H2 B 0.417000 1.0079 + 5458 SYS 1820 WAT O1 D -0.834000 15.9994 + 5459 SYS 1820 WAT H1 B 0.417000 1.0079 + 5460 SYS 1820 WAT H2 B 0.417000 1.0079 + 5461 SYS 1821 WAT O1 D -0.834000 15.9994 + 5462 SYS 1821 WAT H1 B 0.417000 1.0079 + 5463 SYS 1821 WAT H2 B 0.417000 1.0079 + 5464 SYS 1822 WAT O1 D -0.834000 15.9994 + 5465 SYS 1822 WAT H1 B 0.417000 1.0079 + 5466 SYS 1822 WAT H2 B 0.417000 1.0079 + 5467 SYS 1823 WAT O1 D -0.834000 15.9994 + 5468 SYS 1823 WAT H1 B 0.417000 1.0079 + 5469 SYS 1823 WAT H2 B 0.417000 1.0079 + 5470 SYS 1824 WAT O1 D -0.834000 15.9994 + 5471 SYS 1824 WAT H1 B 0.417000 1.0079 + 5472 SYS 1824 WAT H2 B 0.417000 1.0079 + 5473 SYS 1825 WAT O1 D -0.834000 15.9994 + 5474 SYS 1825 WAT H1 B 0.417000 1.0079 + 5475 SYS 1825 WAT H2 B 0.417000 1.0079 + 5476 SYS 1826 WAT O1 D -0.834000 15.9994 + 5477 SYS 1826 WAT H1 B 0.417000 1.0079 + 5478 SYS 1826 WAT H2 B 0.417000 1.0079 + 5479 SYS 1827 WAT O1 D -0.834000 15.9994 + 5480 SYS 1827 WAT H1 B 0.417000 1.0079 + 5481 SYS 1827 WAT H2 B 0.417000 1.0079 + 5482 SYS 1828 WAT O1 D -0.834000 15.9994 + 5483 SYS 1828 WAT H1 B 0.417000 1.0079 + 5484 SYS 1828 WAT H2 B 0.417000 1.0079 + 5485 SYS 1829 WAT O1 D -0.834000 15.9994 + 5486 SYS 1829 WAT H1 B 0.417000 1.0079 + 5487 SYS 1829 WAT H2 B 0.417000 1.0079 + 5488 SYS 1830 WAT O1 D -0.834000 15.9994 + 5489 SYS 1830 WAT H1 B 0.417000 1.0079 + 5490 SYS 1830 WAT H2 B 0.417000 1.0079 + 5491 SYS 1831 WAT O1 D -0.834000 15.9994 + 5492 SYS 1831 WAT H1 B 0.417000 1.0079 + 5493 SYS 1831 WAT H2 B 0.417000 1.0079 + 5494 SYS 1832 WAT O1 D -0.834000 15.9994 + 5495 SYS 1832 WAT H1 B 0.417000 1.0079 + 5496 SYS 1832 WAT H2 B 0.417000 1.0079 + 5497 SYS 1833 WAT O1 D -0.834000 15.9994 + 5498 SYS 1833 WAT H1 B 0.417000 1.0079 + 5499 SYS 1833 WAT H2 B 0.417000 1.0079 + 5500 SYS 1834 WAT O1 D -0.834000 15.9994 + 5501 SYS 1834 WAT H1 B 0.417000 1.0079 + 5502 SYS 1834 WAT H2 B 0.417000 1.0079 + 5503 SYS 1835 WAT O1 D -0.834000 15.9994 + 5504 SYS 1835 WAT H1 B 0.417000 1.0079 + 5505 SYS 1835 WAT H2 B 0.417000 1.0079 + 5506 SYS 1836 WAT O1 D -0.834000 15.9994 + 5507 SYS 1836 WAT H1 B 0.417000 1.0079 + 5508 SYS 1836 WAT H2 B 0.417000 1.0079 + 5509 SYS 1837 WAT O1 D -0.834000 15.9994 + 5510 SYS 1837 WAT H1 B 0.417000 1.0079 + 5511 SYS 1837 WAT H2 B 0.417000 1.0079 + 5512 SYS 1838 WAT O1 D -0.834000 15.9994 + 5513 SYS 1838 WAT H1 B 0.417000 1.0079 + 5514 SYS 1838 WAT H2 B 0.417000 1.0079 + 5515 SYS 1839 WAT O1 D -0.834000 15.9994 + 5516 SYS 1839 WAT H1 B 0.417000 1.0079 + 5517 SYS 1839 WAT H2 B 0.417000 1.0079 + 5518 SYS 1840 WAT O1 D -0.834000 15.9994 + 5519 SYS 1840 WAT H1 B 0.417000 1.0079 + 5520 SYS 1840 WAT H2 B 0.417000 1.0079 + 5521 SYS 1841 WAT O1 D -0.834000 15.9994 + 5522 SYS 1841 WAT H1 B 0.417000 1.0079 + 5523 SYS 1841 WAT H2 B 0.417000 1.0079 + 5524 SYS 1842 WAT O1 D -0.834000 15.9994 + 5525 SYS 1842 WAT H1 B 0.417000 1.0079 + 5526 SYS 1842 WAT H2 B 0.417000 1.0079 + 5527 SYS 1843 WAT O1 D -0.834000 15.9994 + 5528 SYS 1843 WAT H1 B 0.417000 1.0079 + 5529 SYS 1843 WAT H2 B 0.417000 1.0079 + 5530 SYS 1844 WAT O1 D -0.834000 15.9994 + 5531 SYS 1844 WAT H1 B 0.417000 1.0079 + 5532 SYS 1844 WAT H2 B 0.417000 1.0079 + 5533 SYS 1845 WAT O1 D -0.834000 15.9994 + 5534 SYS 1845 WAT H1 B 0.417000 1.0079 + 5535 SYS 1845 WAT H2 B 0.417000 1.0079 + 5536 SYS 1846 WAT O1 D -0.834000 15.9994 + 5537 SYS 1846 WAT H1 B 0.417000 1.0079 + 5538 SYS 1846 WAT H2 B 0.417000 1.0079 + 5539 SYS 1847 WAT O1 D -0.834000 15.9994 + 5540 SYS 1847 WAT H1 B 0.417000 1.0079 + 5541 SYS 1847 WAT H2 B 0.417000 1.0079 + 5542 SYS 1848 WAT O1 D -0.834000 15.9994 + 5543 SYS 1848 WAT H1 B 0.417000 1.0079 + 5544 SYS 1848 WAT H2 B 0.417000 1.0079 + 5545 SYS 1849 WAT O1 D -0.834000 15.9994 + 5546 SYS 1849 WAT H1 B 0.417000 1.0079 + 5547 SYS 1849 WAT H2 B 0.417000 1.0079 + 5548 SYS 1850 WAT O1 D -0.834000 15.9994 + 5549 SYS 1850 WAT H1 B 0.417000 1.0079 + 5550 SYS 1850 WAT H2 B 0.417000 1.0079 + 5551 SYS 1851 WAT O1 D -0.834000 15.9994 + 5552 SYS 1851 WAT H1 B 0.417000 1.0079 + 5553 SYS 1851 WAT H2 B 0.417000 1.0079 + 5554 SYS 1852 WAT O1 D -0.834000 15.9994 + 5555 SYS 1852 WAT H1 B 0.417000 1.0079 + 5556 SYS 1852 WAT H2 B 0.417000 1.0079 + 5557 SYS 1853 WAT O1 D -0.834000 15.9994 + 5558 SYS 1853 WAT H1 B 0.417000 1.0079 + 5559 SYS 1853 WAT H2 B 0.417000 1.0079 + 5560 SYS 1854 WAT O1 D -0.834000 15.9994 + 5561 SYS 1854 WAT H1 B 0.417000 1.0079 + 5562 SYS 1854 WAT H2 B 0.417000 1.0079 + 5563 SYS 1855 WAT O1 D -0.834000 15.9994 + 5564 SYS 1855 WAT H1 B 0.417000 1.0079 + 5565 SYS 1855 WAT H2 B 0.417000 1.0079 + 5566 SYS 1856 WAT O1 D -0.834000 15.9994 + 5567 SYS 1856 WAT H1 B 0.417000 1.0079 + 5568 SYS 1856 WAT H2 B 0.417000 1.0079 + 5569 SYS 1857 WAT O1 D -0.834000 15.9994 + 5570 SYS 1857 WAT H1 B 0.417000 1.0079 + 5571 SYS 1857 WAT H2 B 0.417000 1.0079 + 5572 SYS 1858 WAT O1 D -0.834000 15.9994 + 5573 SYS 1858 WAT H1 B 0.417000 1.0079 + 5574 SYS 1858 WAT H2 B 0.417000 1.0079 + 5575 SYS 1859 WAT O1 D -0.834000 15.9994 + 5576 SYS 1859 WAT H1 B 0.417000 1.0079 + 5577 SYS 1859 WAT H2 B 0.417000 1.0079 + 5578 SYS 1860 WAT O1 D -0.834000 15.9994 + 5579 SYS 1860 WAT H1 B 0.417000 1.0079 + 5580 SYS 1860 WAT H2 B 0.417000 1.0079 + 5581 SYS 1861 WAT O1 D -0.834000 15.9994 + 5582 SYS 1861 WAT H1 B 0.417000 1.0079 + 5583 SYS 1861 WAT H2 B 0.417000 1.0079 + 5584 SYS 1862 WAT O1 D -0.834000 15.9994 + 5585 SYS 1862 WAT H1 B 0.417000 1.0079 + 5586 SYS 1862 WAT H2 B 0.417000 1.0079 + 5587 SYS 1863 WAT O1 D -0.834000 15.9994 + 5588 SYS 1863 WAT H1 B 0.417000 1.0079 + 5589 SYS 1863 WAT H2 B 0.417000 1.0079 + 5590 SYS 1864 WAT O1 D -0.834000 15.9994 + 5591 SYS 1864 WAT H1 B 0.417000 1.0079 + 5592 SYS 1864 WAT H2 B 0.417000 1.0079 + 5593 SYS 1865 WAT O1 D -0.834000 15.9994 + 5594 SYS 1865 WAT H1 B 0.417000 1.0079 + 5595 SYS 1865 WAT H2 B 0.417000 1.0079 + 5596 SYS 1866 WAT O1 D -0.834000 15.9994 + 5597 SYS 1866 WAT H1 B 0.417000 1.0079 + 5598 SYS 1866 WAT H2 B 0.417000 1.0079 + 5599 SYS 1867 WAT O1 D -0.834000 15.9994 + 5600 SYS 1867 WAT H1 B 0.417000 1.0079 + 5601 SYS 1867 WAT H2 B 0.417000 1.0079 + 5602 SYS 1868 WAT O1 D -0.834000 15.9994 + 5603 SYS 1868 WAT H1 B 0.417000 1.0079 + 5604 SYS 1868 WAT H2 B 0.417000 1.0079 + 5605 SYS 1869 WAT O1 D -0.834000 15.9994 + 5606 SYS 1869 WAT H1 B 0.417000 1.0079 + 5607 SYS 1869 WAT H2 B 0.417000 1.0079 + 5608 SYS 1870 WAT O1 D -0.834000 15.9994 + 5609 SYS 1870 WAT H1 B 0.417000 1.0079 + 5610 SYS 1870 WAT H2 B 0.417000 1.0079 + 5611 SYS 1871 WAT O1 D -0.834000 15.9994 + 5612 SYS 1871 WAT H1 B 0.417000 1.0079 + 5613 SYS 1871 WAT H2 B 0.417000 1.0079 + 5614 SYS 1872 WAT O1 D -0.834000 15.9994 + 5615 SYS 1872 WAT H1 B 0.417000 1.0079 + 5616 SYS 1872 WAT H2 B 0.417000 1.0079 + 5617 SYS 1873 WAT O1 D -0.834000 15.9994 + 5618 SYS 1873 WAT H1 B 0.417000 1.0079 + 5619 SYS 1873 WAT H2 B 0.417000 1.0079 + 5620 SYS 1874 WAT O1 D -0.834000 15.9994 + 5621 SYS 1874 WAT H1 B 0.417000 1.0079 + 5622 SYS 1874 WAT H2 B 0.417000 1.0079 + 5623 SYS 1875 WAT O1 D -0.834000 15.9994 + 5624 SYS 1875 WAT H1 B 0.417000 1.0079 + 5625 SYS 1875 WAT H2 B 0.417000 1.0079 + 5626 SYS 1876 WAT O1 D -0.834000 15.9994 + 5627 SYS 1876 WAT H1 B 0.417000 1.0079 + 5628 SYS 1876 WAT H2 B 0.417000 1.0079 + 5629 SYS 1877 WAT O1 D -0.834000 15.9994 + 5630 SYS 1877 WAT H1 B 0.417000 1.0079 + 5631 SYS 1877 WAT H2 B 0.417000 1.0079 + 5632 SYS 1878 WAT O1 D -0.834000 15.9994 + 5633 SYS 1878 WAT H1 B 0.417000 1.0079 + 5634 SYS 1878 WAT H2 B 0.417000 1.0079 + 5635 SYS 1879 WAT O1 D -0.834000 15.9994 + 5636 SYS 1879 WAT H1 B 0.417000 1.0079 + 5637 SYS 1879 WAT H2 B 0.417000 1.0079 + 5638 SYS 1880 WAT O1 D -0.834000 15.9994 + 5639 SYS 1880 WAT H1 B 0.417000 1.0079 + 5640 SYS 1880 WAT H2 B 0.417000 1.0079 + 5641 SYS 1881 WAT O1 D -0.834000 15.9994 + 5642 SYS 1881 WAT H1 B 0.417000 1.0079 + 5643 SYS 1881 WAT H2 B 0.417000 1.0079 + 5644 SYS 1882 WAT O1 D -0.834000 15.9994 + 5645 SYS 1882 WAT H1 B 0.417000 1.0079 + 5646 SYS 1882 WAT H2 B 0.417000 1.0079 + 5647 SYS 1883 WAT O1 D -0.834000 15.9994 + 5648 SYS 1883 WAT H1 B 0.417000 1.0079 + 5649 SYS 1883 WAT H2 B 0.417000 1.0079 + 5650 SYS 1884 WAT O1 D -0.834000 15.9994 + 5651 SYS 1884 WAT H1 B 0.417000 1.0079 + 5652 SYS 1884 WAT H2 B 0.417000 1.0079 + 5653 SYS 1885 WAT O1 D -0.834000 15.9994 + 5654 SYS 1885 WAT H1 B 0.417000 1.0079 + 5655 SYS 1885 WAT H2 B 0.417000 1.0079 + 5656 SYS 1886 WAT O1 D -0.834000 15.9994 + 5657 SYS 1886 WAT H1 B 0.417000 1.0079 + 5658 SYS 1886 WAT H2 B 0.417000 1.0079 + 5659 SYS 1887 WAT O1 D -0.834000 15.9994 + 5660 SYS 1887 WAT H1 B 0.417000 1.0079 + 5661 SYS 1887 WAT H2 B 0.417000 1.0079 + 5662 SYS 1888 WAT O1 D -0.834000 15.9994 + 5663 SYS 1888 WAT H1 B 0.417000 1.0079 + 5664 SYS 1888 WAT H2 B 0.417000 1.0079 + 5665 SYS 1889 WAT O1 D -0.834000 15.9994 + 5666 SYS 1889 WAT H1 B 0.417000 1.0079 + 5667 SYS 1889 WAT H2 B 0.417000 1.0079 + 5668 SYS 1890 WAT O1 D -0.834000 15.9994 + 5669 SYS 1890 WAT H1 B 0.417000 1.0079 + 5670 SYS 1890 WAT H2 B 0.417000 1.0079 + 5671 SYS 1891 WAT O1 D -0.834000 15.9994 + 5672 SYS 1891 WAT H1 B 0.417000 1.0079 + 5673 SYS 1891 WAT H2 B 0.417000 1.0079 + 5674 SYS 1892 WAT O1 D -0.834000 15.9994 + 5675 SYS 1892 WAT H1 B 0.417000 1.0079 + 5676 SYS 1892 WAT H2 B 0.417000 1.0079 + 5677 SYS 1893 WAT O1 D -0.834000 15.9994 + 5678 SYS 1893 WAT H1 B 0.417000 1.0079 + 5679 SYS 1893 WAT H2 B 0.417000 1.0079 + 5680 SYS 1894 WAT O1 D -0.834000 15.9994 + 5681 SYS 1894 WAT H1 B 0.417000 1.0079 + 5682 SYS 1894 WAT H2 B 0.417000 1.0079 + 5683 SYS 1895 WAT O1 D -0.834000 15.9994 + 5684 SYS 1895 WAT H1 B 0.417000 1.0079 + 5685 SYS 1895 WAT H2 B 0.417000 1.0079 + 5686 SYS 1896 WAT O1 D -0.834000 15.9994 + 5687 SYS 1896 WAT H1 B 0.417000 1.0079 + 5688 SYS 1896 WAT H2 B 0.417000 1.0079 + 5689 SYS 1897 WAT O1 D -0.834000 15.9994 + 5690 SYS 1897 WAT H1 B 0.417000 1.0079 + 5691 SYS 1897 WAT H2 B 0.417000 1.0079 + 5692 SYS 1898 WAT O1 D -0.834000 15.9994 + 5693 SYS 1898 WAT H1 B 0.417000 1.0079 + 5694 SYS 1898 WAT H2 B 0.417000 1.0079 + 5695 SYS 1899 WAT O1 D -0.834000 15.9994 + 5696 SYS 1899 WAT H1 B 0.417000 1.0079 + 5697 SYS 1899 WAT H2 B 0.417000 1.0079 + 5698 SYS 1900 WAT O1 D -0.834000 15.9994 + 5699 SYS 1900 WAT H1 B 0.417000 1.0079 + 5700 SYS 1900 WAT H2 B 0.417000 1.0079 + 5701 SYS 1901 WAT O1 D -0.834000 15.9994 + 5702 SYS 1901 WAT H1 B 0.417000 1.0079 + 5703 SYS 1901 WAT H2 B 0.417000 1.0079 + 5704 SYS 1902 WAT O1 D -0.834000 15.9994 + 5705 SYS 1902 WAT H1 B 0.417000 1.0079 + 5706 SYS 1902 WAT H2 B 0.417000 1.0079 + 5707 SYS 1903 WAT O1 D -0.834000 15.9994 + 5708 SYS 1903 WAT H1 B 0.417000 1.0079 + 5709 SYS 1903 WAT H2 B 0.417000 1.0079 + 5710 SYS 1904 WAT O1 D -0.834000 15.9994 + 5711 SYS 1904 WAT H1 B 0.417000 1.0079 + 5712 SYS 1904 WAT H2 B 0.417000 1.0079 + 5713 SYS 1905 WAT O1 D -0.834000 15.9994 + 5714 SYS 1905 WAT H1 B 0.417000 1.0079 + 5715 SYS 1905 WAT H2 B 0.417000 1.0079 + 5716 SYS 1906 WAT O1 D -0.834000 15.9994 + 5717 SYS 1906 WAT H1 B 0.417000 1.0079 + 5718 SYS 1906 WAT H2 B 0.417000 1.0079 + 5719 SYS 1907 WAT O1 D -0.834000 15.9994 + 5720 SYS 1907 WAT H1 B 0.417000 1.0079 + 5721 SYS 1907 WAT H2 B 0.417000 1.0079 + 5722 SYS 1908 WAT O1 D -0.834000 15.9994 + 5723 SYS 1908 WAT H1 B 0.417000 1.0079 + 5724 SYS 1908 WAT H2 B 0.417000 1.0079 + 5725 SYS 1909 WAT O1 D -0.834000 15.9994 + 5726 SYS 1909 WAT H1 B 0.417000 1.0079 + 5727 SYS 1909 WAT H2 B 0.417000 1.0079 + 5728 SYS 1910 WAT O1 D -0.834000 15.9994 + 5729 SYS 1910 WAT H1 B 0.417000 1.0079 + 5730 SYS 1910 WAT H2 B 0.417000 1.0079 + 5731 SYS 1911 WAT O1 D -0.834000 15.9994 + 5732 SYS 1911 WAT H1 B 0.417000 1.0079 + 5733 SYS 1911 WAT H2 B 0.417000 1.0079 + 5734 SYS 1912 WAT O1 D -0.834000 15.9994 + 5735 SYS 1912 WAT H1 B 0.417000 1.0079 + 5736 SYS 1912 WAT H2 B 0.417000 1.0079 + 5737 SYS 1913 WAT O1 D -0.834000 15.9994 + 5738 SYS 1913 WAT H1 B 0.417000 1.0079 + 5739 SYS 1913 WAT H2 B 0.417000 1.0079 + 5740 SYS 1914 WAT O1 D -0.834000 15.9994 + 5741 SYS 1914 WAT H1 B 0.417000 1.0079 + 5742 SYS 1914 WAT H2 B 0.417000 1.0079 + 5743 SYS 1915 WAT O1 D -0.834000 15.9994 + 5744 SYS 1915 WAT H1 B 0.417000 1.0079 + 5745 SYS 1915 WAT H2 B 0.417000 1.0079 + 5746 SYS 1916 WAT O1 D -0.834000 15.9994 + 5747 SYS 1916 WAT H1 B 0.417000 1.0079 + 5748 SYS 1916 WAT H2 B 0.417000 1.0079 + 5749 SYS 1917 WAT O1 D -0.834000 15.9994 + 5750 SYS 1917 WAT H1 B 0.417000 1.0079 + 5751 SYS 1917 WAT H2 B 0.417000 1.0079 + 5752 SYS 1918 WAT O1 D -0.834000 15.9994 + 5753 SYS 1918 WAT H1 B 0.417000 1.0079 + 5754 SYS 1918 WAT H2 B 0.417000 1.0079 + 5755 SYS 1919 WAT O1 D -0.834000 15.9994 + 5756 SYS 1919 WAT H1 B 0.417000 1.0079 + 5757 SYS 1919 WAT H2 B 0.417000 1.0079 + 5758 SYS 1920 WAT O1 D -0.834000 15.9994 + 5759 SYS 1920 WAT H1 B 0.417000 1.0079 + 5760 SYS 1920 WAT H2 B 0.417000 1.0079 + 5761 SYS 1921 WAT O1 D -0.834000 15.9994 + 5762 SYS 1921 WAT H1 B 0.417000 1.0079 + 5763 SYS 1921 WAT H2 B 0.417000 1.0079 + 5764 SYS 1922 WAT O1 D -0.834000 15.9994 + 5765 SYS 1922 WAT H1 B 0.417000 1.0079 + 5766 SYS 1922 WAT H2 B 0.417000 1.0079 + 5767 SYS 1923 WAT O1 D -0.834000 15.9994 + 5768 SYS 1923 WAT H1 B 0.417000 1.0079 + 5769 SYS 1923 WAT H2 B 0.417000 1.0079 + 5770 SYS 1924 WAT O1 D -0.834000 15.9994 + 5771 SYS 1924 WAT H1 B 0.417000 1.0079 + 5772 SYS 1924 WAT H2 B 0.417000 1.0079 + 5773 SYS 1925 WAT O1 D -0.834000 15.9994 + 5774 SYS 1925 WAT H1 B 0.417000 1.0079 + 5775 SYS 1925 WAT H2 B 0.417000 1.0079 + 5776 SYS 1926 WAT O1 D -0.834000 15.9994 + 5777 SYS 1926 WAT H1 B 0.417000 1.0079 + 5778 SYS 1926 WAT H2 B 0.417000 1.0079 + 5779 SYS 1927 WAT O1 D -0.834000 15.9994 + 5780 SYS 1927 WAT H1 B 0.417000 1.0079 + 5781 SYS 1927 WAT H2 B 0.417000 1.0079 + 5782 SYS 1928 WAT O1 D -0.834000 15.9994 + 5783 SYS 1928 WAT H1 B 0.417000 1.0079 + 5784 SYS 1928 WAT H2 B 0.417000 1.0079 + 5785 SYS 1929 WAT O1 D -0.834000 15.9994 + 5786 SYS 1929 WAT H1 B 0.417000 1.0079 + 5787 SYS 1929 WAT H2 B 0.417000 1.0079 + 5788 SYS 1930 WAT O1 D -0.834000 15.9994 + 5789 SYS 1930 WAT H1 B 0.417000 1.0079 + 5790 SYS 1930 WAT H2 B 0.417000 1.0079 + 5791 SYS 1931 WAT O1 D -0.834000 15.9994 + 5792 SYS 1931 WAT H1 B 0.417000 1.0079 + 5793 SYS 1931 WAT H2 B 0.417000 1.0079 + 5794 SYS 1932 WAT O1 D -0.834000 15.9994 + 5795 SYS 1932 WAT H1 B 0.417000 1.0079 + 5796 SYS 1932 WAT H2 B 0.417000 1.0079 + 5797 SYS 1933 WAT O1 D -0.834000 15.9994 + 5798 SYS 1933 WAT H1 B 0.417000 1.0079 + 5799 SYS 1933 WAT H2 B 0.417000 1.0079 + 5800 SYS 1934 WAT O1 D -0.834000 15.9994 + 5801 SYS 1934 WAT H1 B 0.417000 1.0079 + 5802 SYS 1934 WAT H2 B 0.417000 1.0079 + 5803 SYS 1935 WAT O1 D -0.834000 15.9994 + 5804 SYS 1935 WAT H1 B 0.417000 1.0079 + 5805 SYS 1935 WAT H2 B 0.417000 1.0079 + 5806 SYS 1936 WAT O1 D -0.834000 15.9994 + 5807 SYS 1936 WAT H1 B 0.417000 1.0079 + 5808 SYS 1936 WAT H2 B 0.417000 1.0079 + 5809 SYS 1937 WAT O1 D -0.834000 15.9994 + 5810 SYS 1937 WAT H1 B 0.417000 1.0079 + 5811 SYS 1937 WAT H2 B 0.417000 1.0079 + 5812 SYS 1938 WAT O1 D -0.834000 15.9994 + 5813 SYS 1938 WAT H1 B 0.417000 1.0079 + 5814 SYS 1938 WAT H2 B 0.417000 1.0079 + 5815 SYS 1939 WAT O1 D -0.834000 15.9994 + 5816 SYS 1939 WAT H1 B 0.417000 1.0079 + 5817 SYS 1939 WAT H2 B 0.417000 1.0079 + 5818 SYS 1940 WAT O1 D -0.834000 15.9994 + 5819 SYS 1940 WAT H1 B 0.417000 1.0079 + 5820 SYS 1940 WAT H2 B 0.417000 1.0079 + 5821 SYS 1941 WAT O1 D -0.834000 15.9994 + 5822 SYS 1941 WAT H1 B 0.417000 1.0079 + 5823 SYS 1941 WAT H2 B 0.417000 1.0079 + 5824 SYS 1942 WAT O1 D -0.834000 15.9994 + 5825 SYS 1942 WAT H1 B 0.417000 1.0079 + 5826 SYS 1942 WAT H2 B 0.417000 1.0079 + 5827 SYS 1943 WAT O1 D -0.834000 15.9994 + 5828 SYS 1943 WAT H1 B 0.417000 1.0079 + 5829 SYS 1943 WAT H2 B 0.417000 1.0079 + 5830 SYS 1944 WAT O1 D -0.834000 15.9994 + 5831 SYS 1944 WAT H1 B 0.417000 1.0079 + 5832 SYS 1944 WAT H2 B 0.417000 1.0079 + 5833 SYS 1945 WAT O1 D -0.834000 15.9994 + 5834 SYS 1945 WAT H1 B 0.417000 1.0079 + 5835 SYS 1945 WAT H2 B 0.417000 1.0079 + 5836 SYS 1946 WAT O1 D -0.834000 15.9994 + 5837 SYS 1946 WAT H1 B 0.417000 1.0079 + 5838 SYS 1946 WAT H2 B 0.417000 1.0079 + 5839 SYS 1947 WAT O1 D -0.834000 15.9994 + 5840 SYS 1947 WAT H1 B 0.417000 1.0079 + 5841 SYS 1947 WAT H2 B 0.417000 1.0079 + 5842 SYS 1948 WAT O1 D -0.834000 15.9994 + 5843 SYS 1948 WAT H1 B 0.417000 1.0079 + 5844 SYS 1948 WAT H2 B 0.417000 1.0079 + 5845 SYS 1949 WAT O1 D -0.834000 15.9994 + 5846 SYS 1949 WAT H1 B 0.417000 1.0079 + 5847 SYS 1949 WAT H2 B 0.417000 1.0079 + 5848 SYS 1950 WAT O1 D -0.834000 15.9994 + 5849 SYS 1950 WAT H1 B 0.417000 1.0079 + 5850 SYS 1950 WAT H2 B 0.417000 1.0079 + 5851 SYS 1951 WAT O1 D -0.834000 15.9994 + 5852 SYS 1951 WAT H1 B 0.417000 1.0079 + 5853 SYS 1951 WAT H2 B 0.417000 1.0079 + 5854 SYS 1952 WAT O1 D -0.834000 15.9994 + 5855 SYS 1952 WAT H1 B 0.417000 1.0079 + 5856 SYS 1952 WAT H2 B 0.417000 1.0079 + 5857 SYS 1953 WAT O1 D -0.834000 15.9994 + 5858 SYS 1953 WAT H1 B 0.417000 1.0079 + 5859 SYS 1953 WAT H2 B 0.417000 1.0079 + 5860 SYS 1954 WAT O1 D -0.834000 15.9994 + 5861 SYS 1954 WAT H1 B 0.417000 1.0079 + 5862 SYS 1954 WAT H2 B 0.417000 1.0079 + 5863 SYS 1955 WAT O1 D -0.834000 15.9994 + 5864 SYS 1955 WAT H1 B 0.417000 1.0079 + 5865 SYS 1955 WAT H2 B 0.417000 1.0079 + 5866 SYS 1956 WAT O1 D -0.834000 15.9994 + 5867 SYS 1956 WAT H1 B 0.417000 1.0079 + 5868 SYS 1956 WAT H2 B 0.417000 1.0079 + 5869 SYS 1957 WAT O1 D -0.834000 15.9994 + 5870 SYS 1957 WAT H1 B 0.417000 1.0079 + 5871 SYS 1957 WAT H2 B 0.417000 1.0079 + 5872 SYS 1958 WAT O1 D -0.834000 15.9994 + 5873 SYS 1958 WAT H1 B 0.417000 1.0079 + 5874 SYS 1958 WAT H2 B 0.417000 1.0079 + 5875 SYS 1959 WAT O1 D -0.834000 15.9994 + 5876 SYS 1959 WAT H1 B 0.417000 1.0079 + 5877 SYS 1959 WAT H2 B 0.417000 1.0079 + 5878 SYS 1960 WAT O1 D -0.834000 15.9994 + 5879 SYS 1960 WAT H1 B 0.417000 1.0079 + 5880 SYS 1960 WAT H2 B 0.417000 1.0079 + 5881 SYS 1961 WAT O1 D -0.834000 15.9994 + 5882 SYS 1961 WAT H1 B 0.417000 1.0079 + 5883 SYS 1961 WAT H2 B 0.417000 1.0079 + 5884 SYS 1962 WAT O1 D -0.834000 15.9994 + 5885 SYS 1962 WAT H1 B 0.417000 1.0079 + 5886 SYS 1962 WAT H2 B 0.417000 1.0079 + 5887 SYS 1963 WAT O1 D -0.834000 15.9994 + 5888 SYS 1963 WAT H1 B 0.417000 1.0079 + 5889 SYS 1963 WAT H2 B 0.417000 1.0079 + 5890 SYS 1964 WAT O1 D -0.834000 15.9994 + 5891 SYS 1964 WAT H1 B 0.417000 1.0079 + 5892 SYS 1964 WAT H2 B 0.417000 1.0079 + 5893 SYS 1965 WAT O1 D -0.834000 15.9994 + 5894 SYS 1965 WAT H1 B 0.417000 1.0079 + 5895 SYS 1965 WAT H2 B 0.417000 1.0079 + 5896 SYS 1966 WAT O1 D -0.834000 15.9994 + 5897 SYS 1966 WAT H1 B 0.417000 1.0079 + 5898 SYS 1966 WAT H2 B 0.417000 1.0079 + 5899 SYS 1967 WAT O1 D -0.834000 15.9994 + 5900 SYS 1967 WAT H1 B 0.417000 1.0079 + 5901 SYS 1967 WAT H2 B 0.417000 1.0079 + 5902 SYS 1968 WAT O1 D -0.834000 15.9994 + 5903 SYS 1968 WAT H1 B 0.417000 1.0079 + 5904 SYS 1968 WAT H2 B 0.417000 1.0079 + 5905 SYS 1969 WAT O1 D -0.834000 15.9994 + 5906 SYS 1969 WAT H1 B 0.417000 1.0079 + 5907 SYS 1969 WAT H2 B 0.417000 1.0079 + 5908 SYS 1970 WAT O1 D -0.834000 15.9994 + 5909 SYS 1970 WAT H1 B 0.417000 1.0079 + 5910 SYS 1970 WAT H2 B 0.417000 1.0079 + 5911 SYS 1971 WAT O1 D -0.834000 15.9994 + 5912 SYS 1971 WAT H1 B 0.417000 1.0079 + 5913 SYS 1971 WAT H2 B 0.417000 1.0079 + 5914 SYS 1972 WAT O1 D -0.834000 15.9994 + 5915 SYS 1972 WAT H1 B 0.417000 1.0079 + 5916 SYS 1972 WAT H2 B 0.417000 1.0079 + 5917 SYS 1973 WAT O1 D -0.834000 15.9994 + 5918 SYS 1973 WAT H1 B 0.417000 1.0079 + 5919 SYS 1973 WAT H2 B 0.417000 1.0079 + 5920 SYS 1974 WAT O1 D -0.834000 15.9994 + 5921 SYS 1974 WAT H1 B 0.417000 1.0079 + 5922 SYS 1974 WAT H2 B 0.417000 1.0079 + 5923 SYS 1975 WAT O1 D -0.834000 15.9994 + 5924 SYS 1975 WAT H1 B 0.417000 1.0079 + 5925 SYS 1975 WAT H2 B 0.417000 1.0079 + 5926 SYS 1976 WAT O1 D -0.834000 15.9994 + 5927 SYS 1976 WAT H1 B 0.417000 1.0079 + 5928 SYS 1976 WAT H2 B 0.417000 1.0079 + 5929 SYS 1977 WAT O1 D -0.834000 15.9994 + 5930 SYS 1977 WAT H1 B 0.417000 1.0079 + 5931 SYS 1977 WAT H2 B 0.417000 1.0079 + 5932 SYS 1978 WAT O1 D -0.834000 15.9994 + 5933 SYS 1978 WAT H1 B 0.417000 1.0079 + 5934 SYS 1978 WAT H2 B 0.417000 1.0079 + 5935 SYS 1979 WAT O1 D -0.834000 15.9994 + 5936 SYS 1979 WAT H1 B 0.417000 1.0079 + 5937 SYS 1979 WAT H2 B 0.417000 1.0079 + 5938 SYS 1980 WAT O1 D -0.834000 15.9994 + 5939 SYS 1980 WAT H1 B 0.417000 1.0079 + 5940 SYS 1980 WAT H2 B 0.417000 1.0079 + 5941 SYS 1981 WAT O1 D -0.834000 15.9994 + 5942 SYS 1981 WAT H1 B 0.417000 1.0079 + 5943 SYS 1981 WAT H2 B 0.417000 1.0079 + 5944 SYS 1982 WAT O1 D -0.834000 15.9994 + 5945 SYS 1982 WAT H1 B 0.417000 1.0079 + 5946 SYS 1982 WAT H2 B 0.417000 1.0079 + 5947 SYS 1983 WAT O1 D -0.834000 15.9994 + 5948 SYS 1983 WAT H1 B 0.417000 1.0079 + 5949 SYS 1983 WAT H2 B 0.417000 1.0079 + 5950 SYS 1984 WAT O1 D -0.834000 15.9994 + 5951 SYS 1984 WAT H1 B 0.417000 1.0079 + 5952 SYS 1984 WAT H2 B 0.417000 1.0079 + 5953 SYS 1985 WAT O1 D -0.834000 15.9994 + 5954 SYS 1985 WAT H1 B 0.417000 1.0079 + 5955 SYS 1985 WAT H2 B 0.417000 1.0079 + 5956 SYS 1986 WAT O1 D -0.834000 15.9994 + 5957 SYS 1986 WAT H1 B 0.417000 1.0079 + 5958 SYS 1986 WAT H2 B 0.417000 1.0079 + 5959 SYS 1987 WAT O1 D -0.834000 15.9994 + 5960 SYS 1987 WAT H1 B 0.417000 1.0079 + 5961 SYS 1987 WAT H2 B 0.417000 1.0079 + 5962 SYS 1988 WAT O1 D -0.834000 15.9994 + 5963 SYS 1988 WAT H1 B 0.417000 1.0079 + 5964 SYS 1988 WAT H2 B 0.417000 1.0079 + 5965 SYS 1989 WAT O1 D -0.834000 15.9994 + 5966 SYS 1989 WAT H1 B 0.417000 1.0079 + 5967 SYS 1989 WAT H2 B 0.417000 1.0079 + 5968 SYS 1990 WAT O1 D -0.834000 15.9994 + 5969 SYS 1990 WAT H1 B 0.417000 1.0079 + 5970 SYS 1990 WAT H2 B 0.417000 1.0079 + 5971 SYS 1991 WAT O1 D -0.834000 15.9994 + 5972 SYS 1991 WAT H1 B 0.417000 1.0079 + 5973 SYS 1991 WAT H2 B 0.417000 1.0079 + 5974 SYS 1992 WAT O1 D -0.834000 15.9994 + 5975 SYS 1992 WAT H1 B 0.417000 1.0079 + 5976 SYS 1992 WAT H2 B 0.417000 1.0079 + 5977 SYS 1993 WAT O1 D -0.834000 15.9994 + 5978 SYS 1993 WAT H1 B 0.417000 1.0079 + 5979 SYS 1993 WAT H2 B 0.417000 1.0079 + 5980 SYS 1994 WAT O1 D -0.834000 15.9994 + 5981 SYS 1994 WAT H1 B 0.417000 1.0079 + 5982 SYS 1994 WAT H2 B 0.417000 1.0079 + 5983 SYS 1995 WAT O1 D -0.834000 15.9994 + 5984 SYS 1995 WAT H1 B 0.417000 1.0079 + 5985 SYS 1995 WAT H2 B 0.417000 1.0079 + 5986 SYS 1996 WAT O1 D -0.834000 15.9994 + 5987 SYS 1996 WAT H1 B 0.417000 1.0079 + 5988 SYS 1996 WAT H2 B 0.417000 1.0079 + 5989 SYS 1997 WAT O1 D -0.834000 15.9994 + 5990 SYS 1997 WAT H1 B 0.417000 1.0079 + 5991 SYS 1997 WAT H2 B 0.417000 1.0079 + 5992 SYS 1998 WAT O1 D -0.834000 15.9994 + 5993 SYS 1998 WAT H1 B 0.417000 1.0079 + 5994 SYS 1998 WAT H2 B 0.417000 1.0079 + 5995 SYS 1999 WAT O1 D -0.834000 15.9994 + 5996 SYS 1999 WAT H1 B 0.417000 1.0079 + 5997 SYS 1999 WAT H2 B 0.417000 1.0079 + 5998 SYS 2000 WAT O1 D -0.834000 15.9994 + 5999 SYS 2000 WAT H1 B 0.417000 1.0079 + 6000 SYS 2000 WAT H2 B 0.417000 1.0079 + 6001 SYS 2001 WAT O1 D -0.834000 15.9994 + 6002 SYS 2001 WAT H1 B 0.417000 1.0079 + 6003 SYS 2001 WAT H2 B 0.417000 1.0079 + 6004 SYS 2002 WAT O1 D -0.834000 15.9994 + 6005 SYS 2002 WAT H1 B 0.417000 1.0079 + 6006 SYS 2002 WAT H2 B 0.417000 1.0079 + 6007 SYS 2003 WAT O1 D -0.834000 15.9994 + 6008 SYS 2003 WAT H1 B 0.417000 1.0079 + 6009 SYS 2003 WAT H2 B 0.417000 1.0079 + 6010 SYS 2004 WAT O1 D -0.834000 15.9994 + 6011 SYS 2004 WAT H1 B 0.417000 1.0079 + 6012 SYS 2004 WAT H2 B 0.417000 1.0079 + 6013 SYS 2005 WAT O1 D -0.834000 15.9994 + 6014 SYS 2005 WAT H1 B 0.417000 1.0079 + 6015 SYS 2005 WAT H2 B 0.417000 1.0079 + 6016 SYS 2006 WAT O1 D -0.834000 15.9994 + 6017 SYS 2006 WAT H1 B 0.417000 1.0079 + 6018 SYS 2006 WAT H2 B 0.417000 1.0079 + 6019 SYS 2007 WAT O1 D -0.834000 15.9994 + 6020 SYS 2007 WAT H1 B 0.417000 1.0079 + 6021 SYS 2007 WAT H2 B 0.417000 1.0079 + 6022 SYS 2008 WAT O1 D -0.834000 15.9994 + 6023 SYS 2008 WAT H1 B 0.417000 1.0079 + 6024 SYS 2008 WAT H2 B 0.417000 1.0079 + 6025 SYS 2009 WAT O1 D -0.834000 15.9994 + 6026 SYS 2009 WAT H1 B 0.417000 1.0079 + 6027 SYS 2009 WAT H2 B 0.417000 1.0079 + 6028 SYS 2010 WAT O1 D -0.834000 15.9994 + 6029 SYS 2010 WAT H1 B 0.417000 1.0079 + 6030 SYS 2010 WAT H2 B 0.417000 1.0079 + 6031 SYS 2011 WAT O1 D -0.834000 15.9994 + 6032 SYS 2011 WAT H1 B 0.417000 1.0079 + 6033 SYS 2011 WAT H2 B 0.417000 1.0079 + 6034 SYS 2012 WAT O1 D -0.834000 15.9994 + 6035 SYS 2012 WAT H1 B 0.417000 1.0079 + 6036 SYS 2012 WAT H2 B 0.417000 1.0079 + 6037 SYS 2013 WAT O1 D -0.834000 15.9994 + 6038 SYS 2013 WAT H1 B 0.417000 1.0079 + 6039 SYS 2013 WAT H2 B 0.417000 1.0079 + 6040 SYS 2014 WAT O1 D -0.834000 15.9994 + 6041 SYS 2014 WAT H1 B 0.417000 1.0079 + 6042 SYS 2014 WAT H2 B 0.417000 1.0079 + 6043 SYS 2015 WAT O1 D -0.834000 15.9994 + 6044 SYS 2015 WAT H1 B 0.417000 1.0079 + 6045 SYS 2015 WAT H2 B 0.417000 1.0079 + 6046 SYS 2016 WAT O1 D -0.834000 15.9994 + 6047 SYS 2016 WAT H1 B 0.417000 1.0079 + 6048 SYS 2016 WAT H2 B 0.417000 1.0079 + 6049 SYS 2017 WAT O1 D -0.834000 15.9994 + 6050 SYS 2017 WAT H1 B 0.417000 1.0079 + 6051 SYS 2017 WAT H2 B 0.417000 1.0079 + 6052 SYS 2018 WAT O1 D -0.834000 15.9994 + 6053 SYS 2018 WAT H1 B 0.417000 1.0079 + 6054 SYS 2018 WAT H2 B 0.417000 1.0079 + 6055 SYS 2019 WAT O1 D -0.834000 15.9994 + 6056 SYS 2019 WAT H1 B 0.417000 1.0079 + 6057 SYS 2019 WAT H2 B 0.417000 1.0079 + 6058 SYS 2020 WAT O1 D -0.834000 15.9994 + 6059 SYS 2020 WAT H1 B 0.417000 1.0079 + 6060 SYS 2020 WAT H2 B 0.417000 1.0079 + 6061 SYS 2021 WAT O1 D -0.834000 15.9994 + 6062 SYS 2021 WAT H1 B 0.417000 1.0079 + 6063 SYS 2021 WAT H2 B 0.417000 1.0079 + 6064 SYS 2022 WAT O1 D -0.834000 15.9994 + 6065 SYS 2022 WAT H1 B 0.417000 1.0079 + 6066 SYS 2022 WAT H2 B 0.417000 1.0079 + 6067 SYS 2023 WAT O1 D -0.834000 15.9994 + 6068 SYS 2023 WAT H1 B 0.417000 1.0079 + 6069 SYS 2023 WAT H2 B 0.417000 1.0079 + 6070 SYS 2024 WAT O1 D -0.834000 15.9994 + 6071 SYS 2024 WAT H1 B 0.417000 1.0079 + 6072 SYS 2024 WAT H2 B 0.417000 1.0079 + 6073 SYS 2025 WAT O1 D -0.834000 15.9994 + 6074 SYS 2025 WAT H1 B 0.417000 1.0079 + 6075 SYS 2025 WAT H2 B 0.417000 1.0079 + 6076 SYS 2026 WAT O1 D -0.834000 15.9994 + 6077 SYS 2026 WAT H1 B 0.417000 1.0079 + 6078 SYS 2026 WAT H2 B 0.417000 1.0079 + 6079 SYS 2027 WAT O1 D -0.834000 15.9994 + 6080 SYS 2027 WAT H1 B 0.417000 1.0079 + 6081 SYS 2027 WAT H2 B 0.417000 1.0079 + 6082 SYS 2028 WAT O1 D -0.834000 15.9994 + 6083 SYS 2028 WAT H1 B 0.417000 1.0079 + 6084 SYS 2028 WAT H2 B 0.417000 1.0079 + 6085 SYS 2029 WAT O1 D -0.834000 15.9994 + 6086 SYS 2029 WAT H1 B 0.417000 1.0079 + 6087 SYS 2029 WAT H2 B 0.417000 1.0079 + 6088 SYS 2030 WAT O1 D -0.834000 15.9994 + 6089 SYS 2030 WAT H1 B 0.417000 1.0079 + 6090 SYS 2030 WAT H2 B 0.417000 1.0079 + 6091 SYS 2031 WAT O1 D -0.834000 15.9994 + 6092 SYS 2031 WAT H1 B 0.417000 1.0079 + 6093 SYS 2031 WAT H2 B 0.417000 1.0079 + 6094 SYS 2032 WAT O1 D -0.834000 15.9994 + 6095 SYS 2032 WAT H1 B 0.417000 1.0079 + 6096 SYS 2032 WAT H2 B 0.417000 1.0079 + 6097 SYS 2033 WAT O1 D -0.834000 15.9994 + 6098 SYS 2033 WAT H1 B 0.417000 1.0079 + 6099 SYS 2033 WAT H2 B 0.417000 1.0079 + 6100 SYS 2034 WAT O1 D -0.834000 15.9994 + 6101 SYS 2034 WAT H1 B 0.417000 1.0079 + 6102 SYS 2034 WAT H2 B 0.417000 1.0079 + 6103 SYS 2035 WAT O1 D -0.834000 15.9994 + 6104 SYS 2035 WAT H1 B 0.417000 1.0079 + 6105 SYS 2035 WAT H2 B 0.417000 1.0079 + 6106 SYS 2036 WAT O1 D -0.834000 15.9994 + 6107 SYS 2036 WAT H1 B 0.417000 1.0079 + 6108 SYS 2036 WAT H2 B 0.417000 1.0079 + 6109 SYS 2037 WAT O1 D -0.834000 15.9994 + 6110 SYS 2037 WAT H1 B 0.417000 1.0079 + 6111 SYS 2037 WAT H2 B 0.417000 1.0079 + 6112 SYS 2038 WAT O1 D -0.834000 15.9994 + 6113 SYS 2038 WAT H1 B 0.417000 1.0079 + 6114 SYS 2038 WAT H2 B 0.417000 1.0079 + 6115 SYS 2039 WAT O1 D -0.834000 15.9994 + 6116 SYS 2039 WAT H1 B 0.417000 1.0079 + 6117 SYS 2039 WAT H2 B 0.417000 1.0079 + 6118 SYS 2040 WAT O1 D -0.834000 15.9994 + 6119 SYS 2040 WAT H1 B 0.417000 1.0079 + 6120 SYS 2040 WAT H2 B 0.417000 1.0079 + 6121 SYS 2041 WAT O1 D -0.834000 15.9994 + 6122 SYS 2041 WAT H1 B 0.417000 1.0079 + 6123 SYS 2041 WAT H2 B 0.417000 1.0079 + 6124 SYS 2042 WAT O1 D -0.834000 15.9994 + 6125 SYS 2042 WAT H1 B 0.417000 1.0079 + 6126 SYS 2042 WAT H2 B 0.417000 1.0079 + 6127 SYS 2043 WAT O1 D -0.834000 15.9994 + 6128 SYS 2043 WAT H1 B 0.417000 1.0079 + 6129 SYS 2043 WAT H2 B 0.417000 1.0079 + 6130 SYS 2044 WAT O1 D -0.834000 15.9994 + 6131 SYS 2044 WAT H1 B 0.417000 1.0079 + 6132 SYS 2044 WAT H2 B 0.417000 1.0079 + 6133 SYS 2045 WAT O1 D -0.834000 15.9994 + 6134 SYS 2045 WAT H1 B 0.417000 1.0079 + 6135 SYS 2045 WAT H2 B 0.417000 1.0079 + 6136 SYS 2046 WAT O1 D -0.834000 15.9994 + 6137 SYS 2046 WAT H1 B 0.417000 1.0079 + 6138 SYS 2046 WAT H2 B 0.417000 1.0079 + 6139 SYS 2047 WAT O1 D -0.834000 15.9994 + 6140 SYS 2047 WAT H1 B 0.417000 1.0079 + 6141 SYS 2047 WAT H2 B 0.417000 1.0079 + 6142 SYS 2048 WAT O1 D -0.834000 15.9994 + 6143 SYS 2048 WAT H1 B 0.417000 1.0079 + 6144 SYS 2048 WAT H2 B 0.417000 1.0079 + 6145 SYS 2049 WAT O1 D -0.834000 15.9994 + 6146 SYS 2049 WAT H1 B 0.417000 1.0079 + 6147 SYS 2049 WAT H2 B 0.417000 1.0079 + 6148 SYS 2050 WAT O1 D -0.834000 15.9994 + 6149 SYS 2050 WAT H1 B 0.417000 1.0079 + 6150 SYS 2050 WAT H2 B 0.417000 1.0079 + 6151 SYS 2051 WAT O1 D -0.834000 15.9994 + 6152 SYS 2051 WAT H1 B 0.417000 1.0079 + 6153 SYS 2051 WAT H2 B 0.417000 1.0079 + 6154 SYS 2052 WAT O1 D -0.834000 15.9994 + 6155 SYS 2052 WAT H1 B 0.417000 1.0079 + 6156 SYS 2052 WAT H2 B 0.417000 1.0079 + 6157 SYS 2053 WAT O1 D -0.834000 15.9994 + 6158 SYS 2053 WAT H1 B 0.417000 1.0079 + 6159 SYS 2053 WAT H2 B 0.417000 1.0079 + 6160 SYS 2054 WAT O1 D -0.834000 15.9994 + 6161 SYS 2054 WAT H1 B 0.417000 1.0079 + 6162 SYS 2054 WAT H2 B 0.417000 1.0079 + 6163 SYS 2055 WAT O1 D -0.834000 15.9994 + 6164 SYS 2055 WAT H1 B 0.417000 1.0079 + 6165 SYS 2055 WAT H2 B 0.417000 1.0079 + 6166 SYS 2056 WAT O1 D -0.834000 15.9994 + 6167 SYS 2056 WAT H1 B 0.417000 1.0079 + 6168 SYS 2056 WAT H2 B 0.417000 1.0079 + 6169 SYS 2057 WAT O1 D -0.834000 15.9994 + 6170 SYS 2057 WAT H1 B 0.417000 1.0079 + 6171 SYS 2057 WAT H2 B 0.417000 1.0079 + 6172 SYS 2058 WAT O1 D -0.834000 15.9994 + 6173 SYS 2058 WAT H1 B 0.417000 1.0079 + 6174 SYS 2058 WAT H2 B 0.417000 1.0079 + 6175 SYS 2059 WAT O1 D -0.834000 15.9994 + 6176 SYS 2059 WAT H1 B 0.417000 1.0079 + 6177 SYS 2059 WAT H2 B 0.417000 1.0079 + 6178 SYS 2060 WAT O1 D -0.834000 15.9994 + 6179 SYS 2060 WAT H1 B 0.417000 1.0079 + 6180 SYS 2060 WAT H2 B 0.417000 1.0079 + 6181 SYS 2061 WAT O1 D -0.834000 15.9994 + 6182 SYS 2061 WAT H1 B 0.417000 1.0079 + 6183 SYS 2061 WAT H2 B 0.417000 1.0079 + 6184 SYS 2062 WAT O1 D -0.834000 15.9994 + 6185 SYS 2062 WAT H1 B 0.417000 1.0079 + 6186 SYS 2062 WAT H2 B 0.417000 1.0079 + 6187 SYS 2063 WAT O1 D -0.834000 15.9994 + 6188 SYS 2063 WAT H1 B 0.417000 1.0079 + 6189 SYS 2063 WAT H2 B 0.417000 1.0079 + 6190 SYS 2064 WAT O1 D -0.834000 15.9994 + 6191 SYS 2064 WAT H1 B 0.417000 1.0079 + 6192 SYS 2064 WAT H2 B 0.417000 1.0079 + 6193 SYS 2065 WAT O1 D -0.834000 15.9994 + 6194 SYS 2065 WAT H1 B 0.417000 1.0079 + 6195 SYS 2065 WAT H2 B 0.417000 1.0079 + 6196 SYS 2066 WAT O1 D -0.834000 15.9994 + 6197 SYS 2066 WAT H1 B 0.417000 1.0079 + 6198 SYS 2066 WAT H2 B 0.417000 1.0079 + 6199 SYS 2067 WAT O1 D -0.834000 15.9994 + 6200 SYS 2067 WAT H1 B 0.417000 1.0079 + 6201 SYS 2067 WAT H2 B 0.417000 1.0079 + 6202 SYS 2068 WAT O1 D -0.834000 15.9994 + 6203 SYS 2068 WAT H1 B 0.417000 1.0079 + 6204 SYS 2068 WAT H2 B 0.417000 1.0079 + 6205 SYS 2069 WAT O1 D -0.834000 15.9994 + 6206 SYS 2069 WAT H1 B 0.417000 1.0079 + 6207 SYS 2069 WAT H2 B 0.417000 1.0079 + 6208 SYS 2070 WAT O1 D -0.834000 15.9994 + 6209 SYS 2070 WAT H1 B 0.417000 1.0079 + 6210 SYS 2070 WAT H2 B 0.417000 1.0079 + 6211 SYS 2071 WAT O1 D -0.834000 15.9994 + 6212 SYS 2071 WAT H1 B 0.417000 1.0079 + 6213 SYS 2071 WAT H2 B 0.417000 1.0079 + 6214 SYS 2072 WAT O1 D -0.834000 15.9994 + 6215 SYS 2072 WAT H1 B 0.417000 1.0079 + 6216 SYS 2072 WAT H2 B 0.417000 1.0079 + 6217 SYS 2073 WAT O1 D -0.834000 15.9994 + 6218 SYS 2073 WAT H1 B 0.417000 1.0079 + 6219 SYS 2073 WAT H2 B 0.417000 1.0079 + 6220 SYS 2074 WAT O1 D -0.834000 15.9994 + 6221 SYS 2074 WAT H1 B 0.417000 1.0079 + 6222 SYS 2074 WAT H2 B 0.417000 1.0079 + 6223 SYS 2075 WAT O1 D -0.834000 15.9994 + 6224 SYS 2075 WAT H1 B 0.417000 1.0079 + 6225 SYS 2075 WAT H2 B 0.417000 1.0079 + 6226 SYS 2076 WAT O1 D -0.834000 15.9994 + 6227 SYS 2076 WAT H1 B 0.417000 1.0079 + 6228 SYS 2076 WAT H2 B 0.417000 1.0079 + 6229 SYS 2077 WAT O1 D -0.834000 15.9994 + 6230 SYS 2077 WAT H1 B 0.417000 1.0079 + 6231 SYS 2077 WAT H2 B 0.417000 1.0079 + 6232 SYS 2078 WAT O1 D -0.834000 15.9994 + 6233 SYS 2078 WAT H1 B 0.417000 1.0079 + 6234 SYS 2078 WAT H2 B 0.417000 1.0079 + 6235 SYS 2079 WAT O1 D -0.834000 15.9994 + 6236 SYS 2079 WAT H1 B 0.417000 1.0079 + 6237 SYS 2079 WAT H2 B 0.417000 1.0079 + 6238 SYS 2080 WAT O1 D -0.834000 15.9994 + 6239 SYS 2080 WAT H1 B 0.417000 1.0079 + 6240 SYS 2080 WAT H2 B 0.417000 1.0079 + 6241 SYS 2081 WAT O1 D -0.834000 15.9994 + 6242 SYS 2081 WAT H1 B 0.417000 1.0079 + 6243 SYS 2081 WAT H2 B 0.417000 1.0079 + 6244 SYS 2082 WAT O1 D -0.834000 15.9994 + 6245 SYS 2082 WAT H1 B 0.417000 1.0079 + 6246 SYS 2082 WAT H2 B 0.417000 1.0079 + 6247 SYS 2083 WAT O1 D -0.834000 15.9994 + 6248 SYS 2083 WAT H1 B 0.417000 1.0079 + 6249 SYS 2083 WAT H2 B 0.417000 1.0079 + 6250 SYS 2084 WAT O1 D -0.834000 15.9994 + 6251 SYS 2084 WAT H1 B 0.417000 1.0079 + 6252 SYS 2084 WAT H2 B 0.417000 1.0079 + 6253 SYS 2085 WAT O1 D -0.834000 15.9994 + 6254 SYS 2085 WAT H1 B 0.417000 1.0079 + 6255 SYS 2085 WAT H2 B 0.417000 1.0079 + 6256 SYS 2086 WAT O1 D -0.834000 15.9994 + 6257 SYS 2086 WAT H1 B 0.417000 1.0079 + 6258 SYS 2086 WAT H2 B 0.417000 1.0079 + 6259 SYS 2087 WAT O1 D -0.834000 15.9994 + 6260 SYS 2087 WAT H1 B 0.417000 1.0079 + 6261 SYS 2087 WAT H2 B 0.417000 1.0079 + 6262 SYS 2088 WAT O1 D -0.834000 15.9994 + 6263 SYS 2088 WAT H1 B 0.417000 1.0079 + 6264 SYS 2088 WAT H2 B 0.417000 1.0079 + 6265 SYS 2089 WAT O1 D -0.834000 15.9994 + 6266 SYS 2089 WAT H1 B 0.417000 1.0079 + 6267 SYS 2089 WAT H2 B 0.417000 1.0079 + 6268 SYS 2090 WAT O1 D -0.834000 15.9994 + 6269 SYS 2090 WAT H1 B 0.417000 1.0079 + 6270 SYS 2090 WAT H2 B 0.417000 1.0079 + 6271 SYS 2091 WAT O1 D -0.834000 15.9994 + 6272 SYS 2091 WAT H1 B 0.417000 1.0079 + 6273 SYS 2091 WAT H2 B 0.417000 1.0079 + 6274 SYS 2092 WAT O1 D -0.834000 15.9994 + 6275 SYS 2092 WAT H1 B 0.417000 1.0079 + 6276 SYS 2092 WAT H2 B 0.417000 1.0079 + 6277 SYS 2093 WAT O1 D -0.834000 15.9994 + 6278 SYS 2093 WAT H1 B 0.417000 1.0079 + 6279 SYS 2093 WAT H2 B 0.417000 1.0079 + 6280 SYS 2094 WAT O1 D -0.834000 15.9994 + 6281 SYS 2094 WAT H1 B 0.417000 1.0079 + 6282 SYS 2094 WAT H2 B 0.417000 1.0079 4188 !NBOND: bonds 1 2 1 3 4 6 4 5 @@ -8840,6 +8840,5 @@ PSF 0 0 0 0 0 0 0 0 0 0 - 1 0 !NGRP + 1 0 !NGRP 0 1 0 - diff --git a/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.pdb b/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.pdb index 7d0ca86..3f9a069 100644 --- a/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.pdb +++ b/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.pdb @@ -1,12998 +1,12998 @@ REMARK this file TIPS3P_reservoir_box_1 - created by mBuild/foyer using the REMARK parameters from the {'TIP3': 'files/TIPS3P_bonded_Hs.xml', 'WAT': 'files/TIPS3P_bonded_Hs.xml'} force field via MoSDef REMARK created on 2021-02-27 15:51:15.693586 -CRYST1 60.000 60.000 60.000 90.00 90.00 90.00 P 1 -ATOM 1 O1 TIP3A 1 26.156 47.894 20.488 1.00 0.00 O -ATOM 2 H1 TIP3A 1 26.996 48.257 20.211 1.00 0.00 H -ATOM 3 H2 TIP3A 1 25.744 47.595 19.677 1.00 0.00 H -ATOM 4 O1 TIP3A 2 38.445 21.898 31.143 1.00 0.00 O -ATOM 5 H1 TIP3A 2 38.553 21.170 31.754 1.00 0.00 H -ATOM 6 H2 TIP3A 2 39.309 22.006 30.744 1.00 0.00 H -ATOM 7 O1 TIP3A 3 6.387 1.126 29.857 1.00 0.00 O -ATOM 8 H1 TIP3A 3 6.376 0.187 30.040 1.00 0.00 H -ATOM 9 H2 TIP3A 3 7.298 1.388 30.000 1.00 0.00 H -ATOM 10 O1 TIP3A 4 7.493 32.170 51.127 1.00 0.00 O -ATOM 11 H1 TIP3A 4 8.330 32.556 51.383 1.00 0.00 H -ATOM 12 H2 TIP3A 4 7.612 31.229 51.261 1.00 0.00 H -ATOM 13 O1 TIP3A 5 43.117 41.558 6.128 1.00 0.00 O -ATOM 14 H1 TIP3A 5 43.036 40.692 6.526 1.00 0.00 H -ATOM 15 H2 TIP3A 5 42.251 41.953 6.235 1.00 0.00 H -ATOM 16 O1 TIP3A 6 -0.006 26.936 10.175 1.00 0.00 O -ATOM 17 H1 TIP3A 6 0.906 26.649 10.131 1.00 0.00 H -ATOM 18 H2 TIP3A 6 0.019 27.734 10.703 1.00 0.00 H -ATOM 19 O1 TIP3A 7 18.330 49.797 51.960 1.00 0.00 O -ATOM 20 H1 TIP3A 7 18.113 50.727 52.011 1.00 0.00 H -ATOM 21 H2 TIP3A 7 17.935 49.414 52.743 1.00 0.00 H -ATOM 22 O1 TIP3A 8 27.704 25.952 0.871 1.00 0.00 O -ATOM 23 H1 TIP3A 8 28.053 26.769 0.517 1.00 0.00 H -ATOM 24 H2 TIP3A 8 27.901 25.296 0.202 1.00 0.00 H -ATOM 25 O1 TIP3A 9 15.442 6.002 57.357 1.00 0.00 O -ATOM 26 H1 TIP3A 9 15.957 6.774 57.124 1.00 0.00 H -ATOM 27 H2 TIP3A 9 15.383 5.498 56.545 1.00 0.00 H -ATOM 28 O1 TIP3A 10 31.178 43.836 32.227 1.00 0.00 O -ATOM 29 H1 TIP3A 10 31.190 43.918 33.180 1.00 0.00 H -ATOM 30 H2 TIP3A 10 30.283 43.565 32.021 1.00 0.00 H -ATOM 31 O1 TIP3A 11 56.744 10.776 42.389 1.00 0.00 O -ATOM 32 H1 TIP3A 11 57.698 10.813 42.443 1.00 0.00 H -ATOM 33 H2 TIP3A 11 56.567 10.170 41.668 1.00 0.00 H -ATOM 34 O1 TIP3A 12 52.777 14.717 54.643 1.00 0.00 O -ATOM 35 H1 TIP3A 12 52.330 13.897 54.851 1.00 0.00 H -ATOM 36 H2 TIP3A 12 52.182 15.171 54.046 1.00 0.00 H -ATOM 37 O1 TIP3A 13 19.064 19.120 0.224 1.00 0.00 O -ATOM 38 H1 TIP3A 13 19.716 19.610 0.722 1.00 0.00 H -ATOM 39 H2 TIP3A 13 18.268 19.171 0.754 1.00 0.00 H -ATOM 40 O1 TIP3A 14 55.871 47.583 43.738 1.00 0.00 O -ATOM 41 H1 TIP3A 14 56.041 46.992 44.472 1.00 0.00 H -ATOM 42 H2 TIP3A 14 54.917 47.653 43.702 1.00 0.00 H -ATOM 43 O1 TIP3A 15 44.353 8.684 3.602 1.00 0.00 O -ATOM 44 H1 TIP3A 15 44.370 9.159 4.432 1.00 0.00 H -ATOM 45 H2 TIP3A 15 44.379 9.369 2.933 1.00 0.00 H -ATOM 46 O1 TIP3A 16 38.772 28.843 46.636 1.00 0.00 O -ATOM 47 H1 TIP3A 16 39.307 28.102 46.354 1.00 0.00 H -ATOM 48 H2 TIP3A 16 39.338 29.334 47.233 1.00 0.00 H -ATOM 49 O1 TIP3A 17 4.627 20.109 32.896 1.00 0.00 O -ATOM 50 H1 TIP3A 17 5.058 19.825 32.090 1.00 0.00 H -ATOM 51 H2 TIP3A 17 5.234 19.859 33.593 1.00 0.00 H -ATOM 52 O1 TIP3A 18 38.586 17.354 52.940 1.00 0.00 O -ATOM 53 H1 TIP3A 18 38.743 16.442 53.183 1.00 0.00 H -ATOM 54 H2 TIP3A 18 38.390 17.322 52.003 1.00 0.00 H -ATOM 55 O1 TIP3A 19 53.245 26.809 51.691 1.00 0.00 O -ATOM 56 H1 TIP3A 19 54.133 26.538 51.459 1.00 0.00 H -ATOM 57 H2 TIP3A 19 53.141 27.668 51.280 1.00 0.00 H -ATOM 58 O1 TIP3A 20 51.883 49.711 -0.082 1.00 0.00 O -ATOM 59 H1 TIP3A 20 52.165 50.620 0.013 1.00 0.00 H -ATOM 60 H2 TIP3A 20 51.156 49.619 0.536 1.00 0.00 H -ATOM 61 O1 TIP3A 21 26.888 49.924 50.235 1.00 0.00 O -ATOM 62 H1 TIP3A 21 26.145 50.508 50.384 1.00 0.00 H -ATOM 63 H2 TIP3A 21 27.568 50.490 49.869 1.00 0.00 H -ATOM 64 O1 TIP3A 22 13.857 45.790 6.692 1.00 0.00 O -ATOM 65 H1 TIP3A 22 13.721 46.138 7.573 1.00 0.00 H -ATOM 66 H2 TIP3A 22 14.723 46.112 6.439 1.00 0.00 H -ATOM 67 O1 TIP3A 23 51.845 34.969 8.679 1.00 0.00 O -ATOM 68 H1 TIP3A 23 51.940 34.547 7.826 1.00 0.00 H -ATOM 69 H2 TIP3A 23 50.917 35.200 8.730 1.00 0.00 H -ATOM 70 O1 TIP3A 24 24.658 48.874 43.327 1.00 0.00 O -ATOM 71 H1 TIP3A 24 24.324 48.007 43.098 1.00 0.00 H -ATOM 72 H2 TIP3A 24 25.201 48.724 44.103 1.00 0.00 H -ATOM 73 O1 TIP3A 25 37.185 46.339 3.697 1.00 0.00 O -ATOM 74 H1 TIP3A 25 37.611 46.572 2.872 1.00 0.00 H -ATOM 75 H2 TIP3A 25 37.027 47.178 4.130 1.00 0.00 H -ATOM 76 O1 TIP3A 26 47.979 15.192 7.728 1.00 0.00 O -ATOM 77 H1 TIP3A 26 47.527 14.522 8.239 1.00 0.00 H -ATOM 78 H2 TIP3A 26 48.815 15.315 8.180 1.00 0.00 H -ATOM 79 O1 TIP3A 27 22.526 45.601 19.613 1.00 0.00 O -ATOM 80 H1 TIP3A 27 23.128 46.329 19.468 1.00 0.00 H -ATOM 81 H2 TIP3A 27 22.870 45.154 20.387 1.00 0.00 H -ATOM 82 O1 TIP3A 28 41.862 43.508 21.056 1.00 0.00 O -ATOM 83 H1 TIP3A 28 41.582 42.594 21.075 1.00 0.00 H -ATOM 84 H2 TIP3A 28 42.566 43.557 21.703 1.00 0.00 H -ATOM 85 O1 TIP3A 29 3.213 36.702 23.846 1.00 0.00 O -ATOM 86 H1 TIP3A 29 2.865 37.433 23.336 1.00 0.00 H -ATOM 87 H2 TIP3A 29 2.439 36.207 24.117 1.00 0.00 H -ATOM 88 O1 TIP3A 30 11.301 6.844 47.949 1.00 0.00 O -ATOM 89 H1 TIP3A 30 10.461 6.390 47.999 1.00 0.00 H -ATOM 90 H2 TIP3A 30 11.941 6.148 47.794 1.00 0.00 H -ATOM 91 O1 TIP3A 31 11.403 54.194 51.385 1.00 0.00 O -ATOM 92 H1 TIP3A 31 12.289 54.025 51.703 1.00 0.00 H -ATOM 93 H2 TIP3A 31 11.268 55.130 51.535 1.00 0.00 H -ATOM 94 O1 TIP3A 32 30.419 17.378 47.417 1.00 0.00 O -ATOM 95 H1 TIP3A 32 29.774 16.811 47.838 1.00 0.00 H -ATOM 96 H2 TIP3A 32 31.262 17.075 47.755 1.00 0.00 H -ATOM 97 O1 TIP3A 33 34.523 9.006 6.604 1.00 0.00 O -ATOM 98 H1 TIP3A 33 34.690 9.939 6.731 1.00 0.00 H -ATOM 99 H2 TIP3A 33 35.393 8.609 6.562 1.00 0.00 H -ATOM 100 O1 TIP3A 34 55.879 29.186 29.526 1.00 0.00 O -ATOM 101 H1 TIP3A 34 56.408 29.125 28.732 1.00 0.00 H -ATOM 102 H2 TIP3A 34 56.120 30.030 29.910 1.00 0.00 H -ATOM 103 O1 TIP3A 35 9.619 27.507 52.474 1.00 0.00 O -ATOM 104 H1 TIP3A 35 10.008 28.081 51.815 1.00 0.00 H -ATOM 105 H2 TIP3A 35 9.551 28.052 53.258 1.00 0.00 H -ATOM 106 O1 TIP3A 36 5.458 28.038 34.215 1.00 0.00 O -ATOM 107 H1 TIP3A 36 4.717 27.558 33.849 1.00 0.00 H -ATOM 108 H2 TIP3A 36 5.124 28.925 34.355 1.00 0.00 H -ATOM 109 O1 TIP3A 37 19.326 40.037 7.508 1.00 0.00 O -ATOM 110 H1 TIP3A 37 19.158 39.133 7.773 1.00 0.00 H -ATOM 111 H2 TIP3A 37 18.961 40.099 6.624 1.00 0.00 H -ATOM 112 O1 TIP3A 38 6.116 18.393 19.434 1.00 0.00 O -ATOM 113 H1 TIP3A 38 5.164 18.309 19.413 1.00 0.00 H -ATOM 114 H2 TIP3A 38 6.384 17.907 20.214 1.00 0.00 H -ATOM 115 O1 TIP3A 39 18.474 34.330 14.963 1.00 0.00 O -ATOM 116 H1 TIP3A 39 19.429 34.271 14.948 1.00 0.00 H -ATOM 117 H2 TIP3A 39 18.284 34.990 15.630 1.00 0.00 H -ATOM 118 O1 TIP3A 40 39.952 22.917 44.286 1.00 0.00 O -ATOM 119 H1 TIP3A 40 39.569 23.069 45.149 1.00 0.00 H -ATOM 120 H2 TIP3A 40 39.381 22.263 43.881 1.00 0.00 H -ATOM 121 O1 TIP3A 41 42.117 17.959 33.714 1.00 0.00 O -ATOM 122 H1 TIP3A 41 41.831 18.813 33.389 1.00 0.00 H -ATOM 123 H2 TIP3A 41 42.392 18.125 34.616 1.00 0.00 H -ATOM 124 O1 TIP3A 42 30.553 28.916 52.572 1.00 0.00 O -ATOM 125 H1 TIP3A 42 31.104 28.155 52.752 1.00 0.00 H -ATOM 126 H2 TIP3A 42 30.869 29.590 53.174 1.00 0.00 H -ATOM 127 O1 TIP3A 43 48.299 19.061 45.305 1.00 0.00 O -ATOM 128 H1 TIP3A 43 48.530 18.393 45.950 1.00 0.00 H -ATOM 129 H2 TIP3A 43 47.345 19.122 45.353 1.00 0.00 H -ATOM 130 O1 TIP3A 44 46.611 31.899 57.221 1.00 0.00 O -ATOM 131 H1 TIP3A 44 46.857 31.184 56.636 1.00 0.00 H -ATOM 132 H2 TIP3A 44 45.937 32.381 56.742 1.00 0.00 H -ATOM 133 O1 TIP3A 45 49.150 44.449 44.918 1.00 0.00 O -ATOM 134 H1 TIP3A 45 48.374 43.959 44.647 1.00 0.00 H -ATOM 135 H2 TIP3A 45 48.822 45.081 45.560 1.00 0.00 H -ATOM 136 O1 TIP3A 46 46.352 25.637 21.131 1.00 0.00 O -ATOM 137 H1 TIP3A 46 45.673 25.646 21.805 1.00 0.00 H -ATOM 138 H2 TIP3A 46 46.622 26.552 21.049 1.00 0.00 H -ATOM 139 O1 TIP3A 47 43.157 39.300 30.512 1.00 0.00 O -ATOM 140 H1 TIP3A 47 42.237 39.552 30.441 1.00 0.00 H -ATOM 141 H2 TIP3A 47 43.218 38.849 31.355 1.00 0.00 H -ATOM 142 O1 TIP3A 48 53.392 54.299 26.279 1.00 0.00 O -ATOM 143 H1 TIP3A 48 52.569 54.312 26.766 1.00 0.00 H -ATOM 144 H2 TIP3A 48 54.062 54.501 26.933 1.00 0.00 H -ATOM 145 O1 TIP3A 49 24.350 52.670 41.864 1.00 0.00 O -ATOM 146 H1 TIP3A 49 23.855 53.161 41.208 1.00 0.00 H -ATOM 147 H2 TIP3A 49 23.995 52.965 42.703 1.00 0.00 H -ATOM 148 O1 TIP3A 50 41.220 26.966 56.475 1.00 0.00 O -ATOM 149 H1 TIP3A 50 40.347 26.997 56.085 1.00 0.00 H -ATOM 150 H2 TIP3A 50 41.462 27.885 56.595 1.00 0.00 H -ATOM 151 O1 TIP3A 51 32.204 51.852 45.415 1.00 0.00 O -ATOM 152 H1 TIP3A 51 31.959 51.413 44.601 1.00 0.00 H -ATOM 153 H2 TIP3A 51 31.511 52.498 45.557 1.00 0.00 H -ATOM 154 O1 TIP3A 52 50.063 48.771 14.029 1.00 0.00 O -ATOM 155 H1 TIP3A 52 49.626 47.961 13.768 1.00 0.00 H -ATOM 156 H2 TIP3A 52 49.560 49.464 13.599 1.00 0.00 H -ATOM 157 O1 TIP3A 53 21.842 34.185 39.768 1.00 0.00 O -ATOM 158 H1 TIP3A 53 22.738 34.116 40.096 1.00 0.00 H -ATOM 159 H2 TIP3A 53 21.293 34.022 40.535 1.00 0.00 H -ATOM 160 O1 TIP3A 54 53.827 57.320 51.339 1.00 0.00 O -ATOM 161 H1 TIP3A 54 53.956 57.599 50.433 1.00 0.00 H -ATOM 162 H2 TIP3A 54 52.913 57.038 51.376 1.00 0.00 H -ATOM 163 O1 TIP3A 55 35.866 41.802 1.067 1.00 0.00 O -ATOM 164 H1 TIP3A 55 36.404 41.298 0.457 1.00 0.00 H -ATOM 165 H2 TIP3A 55 35.237 42.261 0.510 1.00 0.00 H -ATOM 166 O1 TIP3A 56 56.652 27.058 8.906 1.00 0.00 O -ATOM 167 H1 TIP3A 56 57.298 26.817 8.242 1.00 0.00 H -ATOM 168 H2 TIP3A 56 57.062 27.777 9.389 1.00 0.00 H -ATOM 169 O1 TIP3A 57 38.212 6.022 17.808 1.00 0.00 O -ATOM 170 H1 TIP3A 57 38.967 5.471 18.010 1.00 0.00 H -ATOM 171 H2 TIP3A 57 37.875 5.674 16.982 1.00 0.00 H -ATOM 172 O1 TIP3A 58 23.454 33.358 31.010 1.00 0.00 O -ATOM 173 H1 TIP3A 58 23.100 33.811 30.246 1.00 0.00 H -ATOM 174 H2 TIP3A 58 24.383 33.237 30.809 1.00 0.00 H -ATOM 175 O1 TIP3A 59 55.849 12.899 24.155 1.00 0.00 O -ATOM 176 H1 TIP3A 59 55.436 12.215 23.630 1.00 0.00 H -ATOM 177 H2 TIP3A 59 55.678 12.643 25.061 1.00 0.00 H -ATOM 178 O1 TIP3A 60 35.787 40.521 20.038 1.00 0.00 O -ATOM 179 H1 TIP3A 60 34.895 40.582 19.696 1.00 0.00 H -ATOM 180 H2 TIP3A 60 36.162 41.389 19.883 1.00 0.00 H -ATOM 181 O1 TIP3A 61 17.578 52.136 5.435 1.00 0.00 O -ATOM 182 H1 TIP3A 61 17.039 51.495 5.898 1.00 0.00 H -ATOM 183 H2 TIP3A 61 17.420 52.960 5.896 1.00 0.00 H -ATOM 184 O1 TIP3A 62 15.912 15.798 28.771 1.00 0.00 O -ATOM 185 H1 TIP3A 62 15.513 15.796 27.901 1.00 0.00 H -ATOM 186 H2 TIP3A 62 15.199 15.553 29.363 1.00 0.00 H -ATOM 187 O1 TIP3A 63 45.326 37.024 36.741 1.00 0.00 O -ATOM 188 H1 TIP3A 63 44.508 36.539 36.644 1.00 0.00 H -ATOM 189 H2 TIP3A 63 45.101 37.925 36.504 1.00 0.00 H -ATOM 190 O1 TIP3A 64 57.223 15.012 33.041 1.00 0.00 O -ATOM 191 H1 TIP3A 64 56.342 14.648 33.125 1.00 0.00 H -ATOM 192 H2 TIP3A 64 57.540 14.682 32.200 1.00 0.00 H -ATOM 193 O1 TIP3A 65 0.563 9.631 22.867 1.00 0.00 O -ATOM 194 H1 TIP3A 65 1.302 10.234 22.938 1.00 0.00 H -ATOM 195 H2 TIP3A 65 -0.002 9.857 23.606 1.00 0.00 H -ATOM 196 O1 TIP3A 66 37.777 30.879 7.550 1.00 0.00 O -ATOM 197 H1 TIP3A 66 37.808 31.833 7.604 1.00 0.00 H -ATOM 198 H2 TIP3A 66 37.721 30.588 8.461 1.00 0.00 H -ATOM 199 O1 TIP3A 67 49.883 9.316 28.159 1.00 0.00 O -ATOM 200 H1 TIP3A 67 49.367 8.594 27.801 1.00 0.00 H -ATOM 201 H2 TIP3A 67 50.682 9.326 27.631 1.00 0.00 H -ATOM 202 O1 TIP3A 68 47.998 20.184 5.474 1.00 0.00 O -ATOM 203 H1 TIP3A 68 47.168 19.872 5.117 1.00 0.00 H -ATOM 204 H2 TIP3A 68 48.621 20.090 4.752 1.00 0.00 H -ATOM 205 O1 TIP3A 69 11.201 50.304 41.865 1.00 0.00 O -ATOM 206 H1 TIP3A 69 10.561 50.954 42.152 1.00 0.00 H -ATOM 207 H2 TIP3A 69 11.607 50.693 41.089 1.00 0.00 H -ATOM 208 O1 TIP3A 70 7.291 6.163 54.867 1.00 0.00 O -ATOM 209 H1 TIP3A 70 8.108 6.526 54.528 1.00 0.00 H -ATOM 210 H2 TIP3A 70 7.306 6.368 55.802 1.00 0.00 H -ATOM 211 O1 TIP3A 71 4.215 56.328 24.911 1.00 0.00 O -ATOM 212 H1 TIP3A 71 3.404 55.875 25.141 1.00 0.00 H -ATOM 213 H2 TIP3A 71 4.265 56.258 23.957 1.00 0.00 H -ATOM 214 O1 TIP3A 72 36.233 12.425 13.602 1.00 0.00 O -ATOM 215 H1 TIP3A 72 35.382 12.543 13.180 1.00 0.00 H -ATOM 216 H2 TIP3A 72 36.759 13.163 13.291 1.00 0.00 H -ATOM 217 O1 TIP3A 73 31.568 32.636 43.693 1.00 0.00 O -ATOM 218 H1 TIP3A 73 32.504 32.499 43.551 1.00 0.00 H -ATOM 219 H2 TIP3A 73 31.494 33.560 43.935 1.00 0.00 H -ATOM 220 O1 TIP3A 74 57.338 22.642 18.111 1.00 0.00 O -ATOM 221 H1 TIP3A 74 57.815 23.466 18.212 1.00 0.00 H -ATOM 222 H2 TIP3A 74 56.425 22.870 18.287 1.00 0.00 H -ATOM 223 O1 TIP3A 75 29.532 56.363 17.938 1.00 0.00 O -ATOM 224 H1 TIP3A 75 30.262 56.918 17.665 1.00 0.00 H -ATOM 225 H2 TIP3A 75 29.192 55.995 17.122 1.00 0.00 H -ATOM 226 O1 TIP3A 76 11.084 10.452 24.183 1.00 0.00 O -ATOM 227 H1 TIP3A 76 11.513 11.302 24.278 1.00 0.00 H -ATOM 228 H2 TIP3A 76 11.275 10.186 23.283 1.00 0.00 H -ATOM 229 O1 TIP3A 77 0.489 20.833 10.034 1.00 0.00 O -ATOM 230 H1 TIP3A 77 1.365 20.930 9.661 1.00 0.00 H -ATOM 231 H2 TIP3A 77 -0.000 20.341 9.374 1.00 0.00 H -ATOM 232 O1 TIP3A 78 55.083 32.266 1.110 1.00 0.00 O -ATOM 233 H1 TIP3A 78 54.783 31.875 0.291 1.00 0.00 H -ATOM 234 H2 TIP3A 78 55.831 32.809 0.857 1.00 0.00 H -ATOM 235 O1 TIP3A 79 30.655 52.844 31.458 1.00 0.00 O -ATOM 236 H1 TIP3A 79 29.861 53.347 31.634 1.00 0.00 H -ATOM 237 H2 TIP3A 79 31.240 53.058 32.186 1.00 0.00 H -ATOM 238 O1 TIP3A 80 28.413 2.691 54.743 1.00 0.00 O -ATOM 239 H1 TIP3A 80 29.276 2.290 54.642 1.00 0.00 H -ATOM 240 H2 TIP3A 80 27.821 2.112 54.260 1.00 0.00 H -ATOM 241 O1 TIP3A 81 50.151 2.965 2.176 1.00 0.00 O -ATOM 242 H1 TIP3A 81 49.327 2.548 1.924 1.00 0.00 H -ATOM 243 H2 TIP3A 81 50.822 2.313 1.971 1.00 0.00 H -ATOM 244 O1 TIP3A 82 30.122 49.298 36.315 1.00 0.00 O -ATOM 245 H1 TIP3A 82 30.556 48.537 36.700 1.00 0.00 H -ATOM 246 H2 TIP3A 82 29.740 48.971 35.500 1.00 0.00 H -ATOM 247 O1 TIP3A 83 3.484 54.975 43.107 1.00 0.00 O -ATOM 248 H1 TIP3A 83 4.252 54.502 42.787 1.00 0.00 H -ATOM 249 H2 TIP3A 83 2.763 54.659 42.561 1.00 0.00 H -ATOM 250 O1 TIP3A 84 22.885 32.198 28.775 1.00 0.00 O -ATOM 251 H1 TIP3A 84 22.947 32.973 28.217 1.00 0.00 H -ATOM 252 H2 TIP3A 84 22.861 31.463 28.162 1.00 0.00 H -ATOM 253 O1 TIP3A 85 25.515 12.800 49.966 1.00 0.00 O -ATOM 254 H1 TIP3A 85 26.112 12.560 50.673 1.00 0.00 H -ATOM 255 H2 TIP3A 85 24.643 12.744 50.358 1.00 0.00 H -ATOM 256 O1 TIP3A 86 15.608 49.825 43.426 1.00 0.00 O -ATOM 257 H1 TIP3A 86 15.316 50.664 43.070 1.00 0.00 H -ATOM 258 H2 TIP3A 86 15.239 49.171 42.832 1.00 0.00 H -ATOM 259 O1 TIP3A 87 57.069 48.678 21.092 1.00 0.00 O -ATOM 260 H1 TIP3A 87 57.052 47.779 21.416 1.00 0.00 H -ATOM 261 H2 TIP3A 87 56.211 48.803 20.684 1.00 0.00 H -ATOM 262 O1 TIP3A 88 46.297 15.127 29.340 1.00 0.00 O -ATOM 263 H1 TIP3A 88 46.851 14.739 28.663 1.00 0.00 H -ATOM 264 H2 TIP3A 88 46.914 15.461 29.992 1.00 0.00 H -ATOM 265 O1 TIP3A 89 18.080 29.404 52.155 1.00 0.00 O -ATOM 266 H1 TIP3A 89 18.706 29.267 51.446 1.00 0.00 H -ATOM 267 H2 TIP3A 89 17.704 30.268 51.980 1.00 0.00 H -ATOM 268 O1 TIP3A 90 37.134 4.389 54.401 1.00 0.00 O -ATOM 269 H1 TIP3A 90 36.319 4.391 54.900 1.00 0.00 H -ATOM 270 H2 TIP3A 90 37.008 5.061 53.731 1.00 0.00 H -ATOM 271 O1 TIP3A 91 46.593 25.804 36.456 1.00 0.00 O -ATOM 272 H1 TIP3A 91 47.269 25.139 36.336 1.00 0.00 H -ATOM 273 H2 TIP3A 91 46.838 26.254 37.265 1.00 0.00 H -ATOM 274 O1 TIP3A 92 42.423 29.799 21.951 1.00 0.00 O -ATOM 275 H1 TIP3A 92 43.101 29.241 22.331 1.00 0.00 H -ATOM 276 H2 TIP3A 92 42.206 29.381 21.118 1.00 0.00 H -ATOM 277 O1 TIP3A 93 45.349 48.935 45.959 1.00 0.00 O -ATOM 278 H1 TIP3A 93 45.521 49.701 46.506 1.00 0.00 H -ATOM 279 H2 TIP3A 93 44.462 48.663 46.199 1.00 0.00 H -ATOM 280 O1 TIP3A 94 6.483 46.804 33.294 1.00 0.00 O -ATOM 281 H1 TIP3A 94 7.017 47.208 33.978 1.00 0.00 H -ATOM 282 H2 TIP3A 94 7.118 46.415 32.692 1.00 0.00 H -ATOM 283 O1 TIP3A 95 7.786 11.449 17.859 1.00 0.00 O -ATOM 284 H1 TIP3A 95 8.480 11.457 17.201 1.00 0.00 H -ATOM 285 H2 TIP3A 95 7.425 12.336 17.838 1.00 0.00 H -ATOM 286 O1 TIP3A 96 41.870 24.753 21.036 1.00 0.00 O -ATOM 287 H1 TIP3A 96 41.495 23.873 21.033 1.00 0.00 H -ATOM 288 H2 TIP3A 96 41.345 25.240 20.400 1.00 0.00 H -ATOM 289 O1 TIP3A 97 54.731 47.628 34.419 1.00 0.00 O -ATOM 290 H1 TIP3A 97 54.432 46.722 34.481 1.00 0.00 H -ATOM 291 H2 TIP3A 97 53.970 48.111 34.096 1.00 0.00 H -ATOM 292 O1 TIP3A 98 45.864 7.613 50.017 1.00 0.00 O -ATOM 293 H1 TIP3A 98 45.837 8.338 49.393 1.00 0.00 H -ATOM 294 H2 TIP3A 98 45.990 8.033 50.868 1.00 0.00 H -ATOM 295 O1 TIP3A 99 24.656 46.103 45.422 1.00 0.00 O -ATOM 296 H1 TIP3A 99 25.424 46.457 45.868 1.00 0.00 H -ATOM 297 H2 TIP3A 99 24.134 46.873 45.195 1.00 0.00 H -ATOM 298 O1 TIP3A 100 32.223 32.432 14.316 1.00 0.00 O -ATOM 299 H1 TIP3A 100 32.279 31.758 14.992 1.00 0.00 H -ATOM 300 H2 TIP3A 100 31.666 32.047 13.638 1.00 0.00 H -ATOM 301 O1 TIP3A 101 55.109 28.294 21.207 1.00 0.00 O -ATOM 302 H1 TIP3A 101 56.034 28.537 21.209 1.00 0.00 H -ATOM 303 H2 TIP3A 101 55.061 27.535 20.626 1.00 0.00 H -ATOM 304 O1 TIP3A 102 19.864 57.847 34.105 1.00 0.00 O -ATOM 305 H1 TIP3A 102 18.929 57.662 34.194 1.00 0.00 H -ATOM 306 H2 TIP3A 102 20.127 57.379 33.312 1.00 0.00 H -ATOM 307 O1 TIP3A 103 29.662 35.247 49.138 1.00 0.00 O -ATOM 308 H1 TIP3A 103 28.724 35.374 49.000 1.00 0.00 H -ATOM 309 H2 TIP3A 103 29.809 34.320 48.948 1.00 0.00 H -ATOM 310 O1 TIP3A 104 36.935 36.946 34.824 1.00 0.00 O -ATOM 311 H1 TIP3A 104 37.606 36.400 34.416 1.00 0.00 H -ATOM 312 H2 TIP3A 104 37.359 37.306 35.604 1.00 0.00 H -ATOM 313 O1 TIP3A 105 5.836 55.934 0.058 1.00 0.00 O -ATOM 314 H1 TIP3A 105 5.871 56.888 -0.000 1.00 0.00 H -ATOM 315 H2 TIP3A 105 5.183 55.758 0.736 1.00 0.00 H -ATOM 316 O1 TIP3A 106 35.067 37.378 27.103 1.00 0.00 O -ATOM 317 H1 TIP3A 106 34.990 37.428 28.055 1.00 0.00 H -ATOM 318 H2 TIP3A 106 34.444 36.697 26.847 1.00 0.00 H -ATOM 319 O1 TIP3A 107 3.609 22.580 21.948 1.00 0.00 O -ATOM 320 H1 TIP3A 107 3.634 22.325 22.870 1.00 0.00 H -ATOM 321 H2 TIP3A 107 3.984 23.461 21.933 1.00 0.00 H -ATOM 322 O1 TIP3A 108 25.004 41.218 56.497 1.00 0.00 O -ATOM 323 H1 TIP3A 108 25.940 41.062 56.377 1.00 0.00 H -ATOM 324 H2 TIP3A 108 24.773 40.705 57.273 1.00 0.00 H -ATOM 325 O1 TIP3A 109 34.858 10.374 36.705 1.00 0.00 O -ATOM 326 H1 TIP3A 109 35.231 9.507 36.859 1.00 0.00 H -ATOM 327 H2 TIP3A 109 34.059 10.389 37.233 1.00 0.00 H -ATOM 328 O1 TIP3A 110 2.107 10.340 37.221 1.00 0.00 O -ATOM 329 H1 TIP3A 110 2.147 9.600 37.827 1.00 0.00 H -ATOM 330 H2 TIP3A 110 2.654 10.075 36.482 1.00 0.00 H -ATOM 331 O1 TIP3A 111 26.289 33.691 6.200 1.00 0.00 O -ATOM 332 H1 TIP3A 111 26.923 34.407 6.204 1.00 0.00 H -ATOM 333 H2 TIP3A 111 25.907 33.704 7.079 1.00 0.00 H -ATOM 334 O1 TIP3A 112 48.657 52.943 18.705 1.00 0.00 O -ATOM 335 H1 TIP3A 112 47.993 53.165 19.357 1.00 0.00 H -ATOM 336 H2 TIP3A 112 48.343 53.347 17.895 1.00 0.00 H -ATOM 337 O1 TIP3A 113 19.896 34.532 27.497 1.00 0.00 O -ATOM 338 H1 TIP3A 113 20.850 34.456 27.490 1.00 0.00 H -ATOM 339 H2 TIP3A 113 19.677 34.881 26.633 1.00 0.00 H -ATOM 340 O1 TIP3A 114 57.179 4.917 52.185 1.00 0.00 O -ATOM 341 H1 TIP3A 114 58.003 4.434 52.225 1.00 0.00 H -ATOM 342 H2 TIP3A 114 57.017 5.193 53.087 1.00 0.00 H -ATOM 343 O1 TIP3A 115 11.299 16.890 13.427 1.00 0.00 O -ATOM 344 H1 TIP3A 115 12.000 16.889 12.776 1.00 0.00 H -ATOM 345 H2 TIP3A 115 11.219 17.808 13.692 1.00 0.00 H -ATOM 346 O1 TIP3A 116 30.089 18.460 45.462 1.00 0.00 O -ATOM 347 H1 TIP3A 116 29.521 19.198 45.681 1.00 0.00 H -ATOM 348 H2 TIP3A 116 30.387 18.641 44.570 1.00 0.00 H -ATOM 349 O1 TIP3A 117 11.198 5.764 28.545 1.00 0.00 O -ATOM 350 H1 TIP3A 117 10.299 5.866 28.236 1.00 0.00 H -ATOM 351 H2 TIP3A 117 11.140 5.112 29.244 1.00 0.00 H -ATOM 352 O1 TIP3A 118 1.373 10.843 9.555 1.00 0.00 O -ATOM 353 H1 TIP3A 118 1.169 10.322 8.780 1.00 0.00 H -ATOM 354 H2 TIP3A 118 2.293 10.651 9.739 1.00 0.00 H -ATOM 355 O1 TIP3A 119 46.009 45.121 41.079 1.00 0.00 O -ATOM 356 H1 TIP3A 119 45.171 45.526 40.860 1.00 0.00 H -ATOM 357 H2 TIP3A 119 46.460 45.033 40.238 1.00 0.00 H -ATOM 358 O1 TIP3A 120 49.385 42.589 5.212 1.00 0.00 O -ATOM 359 H1 TIP3A 120 49.929 43.370 5.317 1.00 0.00 H -ATOM 360 H2 TIP3A 120 50.005 41.892 4.994 1.00 0.00 H -ATOM 361 O1 TIP3A 121 11.330 45.289 34.853 1.00 0.00 O -ATOM 362 H1 TIP3A 121 11.900 45.769 35.452 1.00 0.00 H -ATOM 363 H2 TIP3A 121 11.804 45.284 34.021 1.00 0.00 H -ATOM 364 O1 TIP3A 122 17.153 41.685 0.460 1.00 0.00 O -ATOM 365 H1 TIP3A 122 16.467 41.832 1.110 1.00 0.00 H -ATOM 366 H2 TIP3A 122 17.343 42.555 0.110 1.00 0.00 H -ATOM 367 O1 TIP3A 123 46.635 24.121 8.934 1.00 0.00 O -ATOM 368 H1 TIP3A 123 45.790 23.677 8.991 1.00 0.00 H -ATOM 369 H2 TIP3A 123 47.274 23.413 8.853 1.00 0.00 H -ATOM 370 O1 TIP3A 124 52.676 4.239 23.393 1.00 0.00 O -ATOM 371 H1 TIP3A 124 53.280 3.527 23.598 1.00 0.00 H -ATOM 372 H2 TIP3A 124 53.121 5.028 23.703 1.00 0.00 H -ATOM 373 O1 TIP3A 125 52.123 15.851 3.457 1.00 0.00 O -ATOM 374 H1 TIP3A 125 52.064 15.381 4.288 1.00 0.00 H -ATOM 375 H2 TIP3A 125 51.752 15.246 2.813 1.00 0.00 H -ATOM 376 O1 TIP3A 126 16.747 40.535 26.722 1.00 0.00 O -ATOM 377 H1 TIP3A 126 17.648 40.358 26.455 1.00 0.00 H -ATOM 378 H2 TIP3A 126 16.273 40.663 25.899 1.00 0.00 H -ATOM 379 O1 TIP3A 127 28.815 35.772 3.671 1.00 0.00 O -ATOM 380 H1 TIP3A 127 29.238 36.627 3.748 1.00 0.00 H -ATOM 381 H2 TIP3A 127 28.200 35.741 4.404 1.00 0.00 H -ATOM 382 O1 TIP3A 128 38.763 6.434 20.623 1.00 0.00 O -ATOM 383 H1 TIP3A 128 38.686 5.534 20.308 1.00 0.00 H -ATOM 384 H2 TIP3A 128 39.202 6.901 19.912 1.00 0.00 H -ATOM 385 O1 TIP3A 129 29.530 41.873 37.826 1.00 0.00 O -ATOM 386 H1 TIP3A 129 28.865 41.245 38.106 1.00 0.00 H -ATOM 387 H2 TIP3A 129 29.046 42.522 37.314 1.00 0.00 H -ATOM 388 O1 TIP3A 130 19.803 22.592 25.408 1.00 0.00 O -ATOM 389 H1 TIP3A 130 19.625 22.263 26.289 1.00 0.00 H -ATOM 390 H2 TIP3A 130 20.342 21.912 25.003 1.00 0.00 H -ATOM 391 O1 TIP3A 131 54.356 9.806 17.126 1.00 0.00 O -ATOM 392 H1 TIP3A 131 53.858 10.238 16.433 1.00 0.00 H -ATOM 393 H2 TIP3A 131 54.956 10.480 17.446 1.00 0.00 H -ATOM 394 O1 TIP3A 132 16.102 22.338 49.086 1.00 0.00 O -ATOM 395 H1 TIP3A 132 15.988 21.390 49.027 1.00 0.00 H -ATOM 396 H2 TIP3A 132 16.791 22.456 49.740 1.00 0.00 H -ATOM 397 O1 TIP3A 133 5.133 40.232 5.022 1.00 0.00 O -ATOM 398 H1 TIP3A 133 4.599 40.772 4.440 1.00 0.00 H -ATOM 399 H2 TIP3A 133 4.548 39.527 5.300 1.00 0.00 H -ATOM 400 O1 TIP3A 134 37.571 3.381 40.449 1.00 0.00 O -ATOM 401 H1 TIP3A 134 37.673 2.593 39.916 1.00 0.00 H -ATOM 402 H2 TIP3A 134 37.071 3.982 39.895 1.00 0.00 H -ATOM 403 O1 TIP3A 135 38.863 5.159 50.480 1.00 0.00 O -ATOM 404 H1 TIP3A 135 38.411 4.323 50.586 1.00 0.00 H -ATOM 405 H2 TIP3A 135 39.662 5.068 51.000 1.00 0.00 H -ATOM 406 O1 TIP3A 136 50.540 56.189 30.993 1.00 0.00 O -ATOM 407 H1 TIP3A 136 50.965 56.709 30.311 1.00 0.00 H -ATOM 408 H2 TIP3A 136 49.913 55.640 30.521 1.00 0.00 H -ATOM 409 O1 TIP3A 137 8.933 33.334 32.642 1.00 0.00 O -ATOM 410 H1 TIP3A 137 9.064 32.416 32.877 1.00 0.00 H -ATOM 411 H2 TIP3A 137 8.068 33.550 32.992 1.00 0.00 H -ATOM 412 O1 TIP3A 138 32.657 45.122 1.515 1.00 0.00 O -ATOM 413 H1 TIP3A 138 32.928 44.219 1.679 1.00 0.00 H -ATOM 414 H2 TIP3A 138 33.115 45.635 2.182 1.00 0.00 H -ATOM 415 O1 TIP3A 139 57.322 55.665 45.497 1.00 0.00 O -ATOM 416 H1 TIP3A 139 56.366 55.693 45.472 1.00 0.00 H -ATOM 417 H2 TIP3A 139 57.540 54.748 45.328 1.00 0.00 H -ATOM 418 O1 TIP3A 140 27.487 25.431 48.758 1.00 0.00 O -ATOM 419 H1 TIP3A 140 27.203 25.289 49.660 1.00 0.00 H -ATOM 420 H2 TIP3A 140 27.733 26.356 48.727 1.00 0.00 H -ATOM 421 O1 TIP3A 141 31.266 7.753 55.505 1.00 0.00 O -ATOM 422 H1 TIP3A 141 32.191 7.782 55.745 1.00 0.00 H -ATOM 423 H2 TIP3A 141 30.808 8.088 56.277 1.00 0.00 H -ATOM 424 O1 TIP3A 142 39.210 42.251 10.081 1.00 0.00 O -ATOM 425 H1 TIP3A 142 39.370 43.138 10.400 1.00 0.00 H -ATOM 426 H2 TIP3A 142 38.827 41.792 10.829 1.00 0.00 H -ATOM 427 O1 TIP3A 143 52.786 52.270 5.104 1.00 0.00 O -ATOM 428 H1 TIP3A 143 52.889 52.256 4.153 1.00 0.00 H -ATOM 429 H2 TIP3A 143 53.639 52.555 5.434 1.00 0.00 H -ATOM 430 O1 TIP3A 144 39.256 6.271 36.958 1.00 0.00 O -ATOM 431 H1 TIP3A 144 40.086 6.210 37.431 1.00 0.00 H -ATOM 432 H2 TIP3A 144 38.949 7.163 37.127 1.00 0.00 H -ATOM 433 O1 TIP3A 145 47.142 26.428 49.987 1.00 0.00 O -ATOM 434 H1 TIP3A 145 46.725 25.581 49.828 1.00 0.00 H -ATOM 435 H2 TIP3A 145 47.756 26.533 49.259 1.00 0.00 H -ATOM 436 O1 TIP3A 146 29.649 25.919 4.046 1.00 0.00 O -ATOM 437 H1 TIP3A 146 29.396 26.839 4.106 1.00 0.00 H -ATOM 438 H2 TIP3A 146 30.456 25.925 3.530 1.00 0.00 H -ATOM 439 O1 TIP3A 147 46.184 31.422 2.840 1.00 0.00 O -ATOM 440 H1 TIP3A 147 46.419 30.545 2.540 1.00 0.00 H -ATOM 441 H2 TIP3A 147 46.713 31.557 3.626 1.00 0.00 H -ATOM 442 O1 TIP3A 148 8.964 7.501 57.165 1.00 0.00 O -ATOM 443 H1 TIP3A 148 8.711 7.888 58.002 1.00 0.00 H -ATOM 444 H2 TIP3A 148 9.331 6.647 57.396 1.00 0.00 H -ATOM 445 O1 TIP3A 149 24.420 49.301 36.309 1.00 0.00 O -ATOM 446 H1 TIP3A 149 23.897 49.965 36.757 1.00 0.00 H -ATOM 447 H2 TIP3A 149 24.754 49.745 35.529 1.00 0.00 H -ATOM 448 O1 TIP3A 150 49.978 6.096 52.278 1.00 0.00 O -ATOM 449 H1 TIP3A 150 49.794 6.853 51.723 1.00 0.00 H -ATOM 450 H2 TIP3A 150 50.906 5.911 52.131 1.00 0.00 H -ATOM 451 O1 TIP3A 151 39.422 7.949 56.285 1.00 0.00 O -ATOM 452 H1 TIP3A 151 38.677 8.524 56.454 1.00 0.00 H -ATOM 453 H2 TIP3A 151 39.059 7.064 56.335 1.00 0.00 H -ATOM 454 O1 TIP3A 152 17.259 19.863 22.175 1.00 0.00 O -ATOM 455 H1 TIP3A 152 16.986 20.644 21.695 1.00 0.00 H -ATOM 456 H2 TIP3A 152 16.737 19.880 22.978 1.00 0.00 H -ATOM 457 O1 TIP3A 153 53.504 43.645 49.197 1.00 0.00 O -ATOM 458 H1 TIP3A 153 53.262 43.335 50.069 1.00 0.00 H -ATOM 459 H2 TIP3A 153 53.575 42.848 48.670 1.00 0.00 H -ATOM 460 O1 TIP3A 154 37.514 27.091 1.077 1.00 0.00 O -ATOM 461 H1 TIP3A 154 37.160 26.775 1.907 1.00 0.00 H -ATOM 462 H2 TIP3A 154 37.585 26.307 0.531 1.00 0.00 H -ATOM 463 O1 TIP3A 155 18.221 51.753 44.718 1.00 0.00 O -ATOM 464 H1 TIP3A 155 17.386 52.103 44.409 1.00 0.00 H -ATOM 465 H2 TIP3A 155 18.869 52.105 44.107 1.00 0.00 H -ATOM 466 O1 TIP3A 156 22.965 45.107 33.052 1.00 0.00 O -ATOM 467 H1 TIP3A 156 22.469 44.651 33.731 1.00 0.00 H -ATOM 468 H2 TIP3A 156 22.484 45.923 32.910 1.00 0.00 H -ATOM 469 O1 TIP3A 157 0.727 36.594 22.611 1.00 0.00 O -ATOM 470 H1 TIP3A 157 0.507 35.871 22.024 1.00 0.00 H -ATOM 471 H2 TIP3A 157 0.077 36.540 23.312 1.00 0.00 H -ATOM 472 O1 TIP3A 158 43.970 27.955 1.177 1.00 0.00 O -ATOM 473 H1 TIP3A 158 43.851 28.904 1.154 1.00 0.00 H -ATOM 474 H2 TIP3A 158 43.081 27.601 1.129 1.00 0.00 H -ATOM 475 O1 TIP3A 159 46.630 31.900 20.584 1.00 0.00 O -ATOM 476 H1 TIP3A 159 46.537 31.079 21.066 1.00 0.00 H -ATOM 477 H2 TIP3A 159 47.518 31.869 20.225 1.00 0.00 H -ATOM 478 O1 TIP3A 160 56.964 37.732 16.359 1.00 0.00 O -ATOM 479 H1 TIP3A 160 57.121 36.909 15.897 1.00 0.00 H -ATOM 480 H2 TIP3A 160 56.152 38.069 15.980 1.00 0.00 H -ATOM 481 O1 TIP3A 161 0.644 30.393 35.492 1.00 0.00 O -ATOM 482 H1 TIP3A 161 0.424 29.464 35.559 1.00 0.00 H -ATOM 483 H2 TIP3A 161 1.545 30.449 35.810 1.00 0.00 H -ATOM 484 O1 TIP3A 162 22.552 31.849 11.147 1.00 0.00 O -ATOM 485 H1 TIP3A 162 23.412 31.447 11.028 1.00 0.00 H -ATOM 486 H2 TIP3A 162 22.013 31.475 10.450 1.00 0.00 H -ATOM 487 O1 TIP3A 163 3.805 9.483 29.649 1.00 0.00 O -ATOM 488 H1 TIP3A 163 4.612 9.624 29.154 1.00 0.00 H -ATOM 489 H2 TIP3A 163 4.090 9.045 30.452 1.00 0.00 H -ATOM 490 O1 TIP3A 164 12.981 57.240 46.622 1.00 0.00 O -ATOM 491 H1 TIP3A 164 13.372 56.368 46.586 1.00 0.00 H -ATOM 492 H2 TIP3A 164 13.719 57.827 46.791 1.00 0.00 H -ATOM 493 O1 TIP3A 165 55.560 13.336 17.224 1.00 0.00 O -ATOM 494 H1 TIP3A 165 54.679 13.600 17.487 1.00 0.00 H -ATOM 495 H2 TIP3A 165 55.422 12.596 16.631 1.00 0.00 H -ATOM 496 O1 TIP3A 166 8.708 20.230 24.123 1.00 0.00 O -ATOM 497 H1 TIP3A 166 9.630 20.127 23.890 1.00 0.00 H -ATOM 498 H2 TIP3A 166 8.300 20.592 23.336 1.00 0.00 H -ATOM 499 O1 TIP3A 167 55.858 52.475 33.368 1.00 0.00 O -ATOM 500 H1 TIP3A 167 56.389 52.054 32.693 1.00 0.00 H -ATOM 501 H2 TIP3A 167 56.363 53.247 33.625 1.00 0.00 H -ATOM 502 O1 TIP3A 168 49.898 46.690 42.401 1.00 0.00 O -ATOM 503 H1 TIP3A 168 49.895 47.509 41.908 1.00 0.00 H -ATOM 504 H2 TIP3A 168 50.547 46.144 41.957 1.00 0.00 H -ATOM 505 O1 TIP3A 169 29.116 37.186 36.048 1.00 0.00 O -ATOM 506 H1 TIP3A 169 29.845 36.569 36.108 1.00 0.00 H -ATOM 507 H2 TIP3A 169 28.579 36.854 35.328 1.00 0.00 H -ATOM 508 O1 TIP3A 170 31.703 4.396 37.158 1.00 0.00 O -ATOM 509 H1 TIP3A 170 32.607 4.677 37.296 1.00 0.00 H -ATOM 510 H2 TIP3A 170 31.307 5.103 36.648 1.00 0.00 H -ATOM 511 O1 TIP3A 171 43.697 23.641 16.852 1.00 0.00 O -ATOM 512 H1 TIP3A 171 44.603 23.620 17.159 1.00 0.00 H -ATOM 513 H2 TIP3A 171 43.189 23.899 17.622 1.00 0.00 H -ATOM 514 O1 TIP3A 172 35.785 21.591 49.960 1.00 0.00 O -ATOM 515 H1 TIP3A 172 34.897 21.947 49.996 1.00 0.00 H -ATOM 516 H2 TIP3A 172 35.789 20.890 50.612 1.00 0.00 H -ATOM 517 O1 TIP3A 173 44.981 20.865 27.845 1.00 0.00 O -ATOM 518 H1 TIP3A 173 45.407 20.060 27.553 1.00 0.00 H -ATOM 519 H2 TIP3A 173 45.530 21.180 28.564 1.00 0.00 H -ATOM 520 O1 TIP3A 174 16.181 33.754 7.243 1.00 0.00 O -ATOM 521 H1 TIP3A 174 17.036 34.181 7.211 1.00 0.00 H -ATOM 522 H2 TIP3A 174 16.236 33.055 6.591 1.00 0.00 H -ATOM 523 O1 TIP3A 175 50.110 2.105 28.320 1.00 0.00 O -ATOM 524 H1 TIP3A 175 49.402 1.504 28.548 1.00 0.00 H -ATOM 525 H2 TIP3A 175 50.056 2.800 28.976 1.00 0.00 H -ATOM 526 O1 TIP3A 176 30.479 46.479 54.229 1.00 0.00 O -ATOM 527 H1 TIP3A 176 29.560 46.646 54.435 1.00 0.00 H -ATOM 528 H2 TIP3A 176 30.956 46.771 55.007 1.00 0.00 H -ATOM 529 O1 TIP3A 177 36.529 8.382 38.514 1.00 0.00 O -ATOM 530 H1 TIP3A 177 36.168 7.497 38.470 1.00 0.00 H -ATOM 531 H2 TIP3A 177 37.457 8.253 38.713 1.00 0.00 H -ATOM 532 O1 TIP3A 178 41.632 12.439 5.378 1.00 0.00 O -ATOM 533 H1 TIP3A 178 40.919 12.985 5.048 1.00 0.00 H -ATOM 534 H2 TIP3A 178 41.204 11.633 5.667 1.00 0.00 H -ATOM 535 O1 TIP3A 179 34.358 54.758 37.175 1.00 0.00 O -ATOM 536 H1 TIP3A 179 33.944 55.620 37.204 1.00 0.00 H -ATOM 537 H2 TIP3A 179 35.223 54.921 36.797 1.00 0.00 H -ATOM 538 O1 TIP3A 180 19.833 19.735 43.813 1.00 0.00 O -ATOM 539 H1 TIP3A 180 20.646 19.248 43.946 1.00 0.00 H -ATOM 540 H2 TIP3A 180 19.919 20.504 44.377 1.00 0.00 H -ATOM 541 O1 TIP3A 181 40.406 45.097 8.480 1.00 0.00 O -ATOM 542 H1 TIP3A 181 40.480 44.196 8.793 1.00 0.00 H -ATOM 543 H2 TIP3A 181 40.737 45.630 9.204 1.00 0.00 H -ATOM 544 O1 TIP3A 182 7.327 23.667 25.131 1.00 0.00 O -ATOM 545 H1 TIP3A 182 8.028 24.201 25.505 1.00 0.00 H -ATOM 546 H2 TIP3A 182 7.776 23.058 24.544 1.00 0.00 H -ATOM 547 O1 TIP3A 183 28.870 15.211 35.736 1.00 0.00 O -ATOM 548 H1 TIP3A 183 29.793 15.413 35.583 1.00 0.00 H -ATOM 549 H2 TIP3A 183 28.638 15.724 36.510 1.00 0.00 H -ATOM 550 O1 TIP3A 184 24.655 31.811 24.988 1.00 0.00 O -ATOM 551 H1 TIP3A 184 24.494 31.391 25.833 1.00 0.00 H -ATOM 552 H2 TIP3A 184 23.781 31.972 24.631 1.00 0.00 H -ATOM 553 O1 TIP3A 185 34.197 30.040 43.228 1.00 0.00 O -ATOM 554 H1 TIP3A 185 34.177 30.490 42.385 1.00 0.00 H -ATOM 555 H2 TIP3A 185 33.578 30.526 43.774 1.00 0.00 H -ATOM 556 O1 TIP3A 186 8.497 29.247 25.777 1.00 0.00 O -ATOM 557 H1 TIP3A 186 8.455 28.556 25.117 1.00 0.00 H -ATOM 558 H2 TIP3A 186 9.364 29.148 26.174 1.00 0.00 H -ATOM 559 O1 TIP3A 187 16.692 8.194 55.375 1.00 0.00 O -ATOM 560 H1 TIP3A 187 16.848 9.000 54.884 1.00 0.00 H -ATOM 561 H2 TIP3A 187 17.508 8.042 55.853 1.00 0.00 H -ATOM 562 O1 TIP3A 188 10.329 3.407 39.142 1.00 0.00 O -ATOM 563 H1 TIP3A 188 11.197 3.133 38.846 1.00 0.00 H -ATOM 564 H2 TIP3A 188 10.154 4.214 38.656 1.00 0.00 H -ATOM 565 O1 TIP3A 189 21.965 31.540 18.759 1.00 0.00 O -ATOM 566 H1 TIP3A 189 21.327 30.924 19.117 1.00 0.00 H -ATOM 567 H2 TIP3A 189 22.722 30.999 18.534 1.00 0.00 H -ATOM 568 O1 TIP3A 190 14.083 34.258 22.014 1.00 0.00 O -ATOM 569 H1 TIP3A 190 13.290 34.692 22.326 1.00 0.00 H -ATOM 570 H2 TIP3A 190 13.765 33.561 21.439 1.00 0.00 H -ATOM 571 O1 TIP3A 191 51.406 47.637 21.916 1.00 0.00 O -ATOM 572 H1 TIP3A 191 50.673 48.225 21.735 1.00 0.00 H -ATOM 573 H2 TIP3A 191 51.029 46.944 22.460 1.00 0.00 H -ATOM 574 O1 TIP3A 192 29.872 20.733 4.633 1.00 0.00 O -ATOM 575 H1 TIP3A 192 30.700 21.177 4.812 1.00 0.00 H -ATOM 576 H2 TIP3A 192 30.090 20.075 3.972 1.00 0.00 H -ATOM 577 O1 TIP3A 193 10.206 34.420 24.481 1.00 0.00 O -ATOM 578 H1 TIP3A 193 10.541 34.306 25.370 1.00 0.00 H -ATOM 579 H2 TIP3A 193 10.617 33.717 23.977 1.00 0.00 H -ATOM 580 O1 TIP3A 194 45.580 52.221 0.189 1.00 0.00 O -ATOM 581 H1 TIP3A 194 45.377 53.155 0.189 1.00 0.00 H -ATOM 582 H2 TIP3A 194 45.544 51.967 1.111 1.00 0.00 H -ATOM 583 O1 TIP3A 195 52.276 25.204 25.640 1.00 0.00 O -ATOM 584 H1 TIP3A 195 52.263 25.426 26.570 1.00 0.00 H -ATOM 585 H2 TIP3A 195 52.185 24.251 25.619 1.00 0.00 H -ATOM 586 O1 TIP3A 196 46.468 3.340 18.196 1.00 0.00 O -ATOM 587 H1 TIP3A 196 46.170 2.879 18.979 1.00 0.00 H -ATOM 588 H2 TIP3A 196 45.675 3.735 17.833 1.00 0.00 H -ATOM 589 O1 TIP3A 197 27.979 17.342 15.941 1.00 0.00 O -ATOM 590 H1 TIP3A 197 28.023 16.463 15.568 1.00 0.00 H -ATOM 591 H2 TIP3A 197 27.620 17.212 16.820 1.00 0.00 H -ATOM 592 O1 TIP3A 198 47.171 44.533 10.140 1.00 0.00 O -ATOM 593 H1 TIP3A 198 46.548 43.991 9.658 1.00 0.00 H -ATOM 594 H2 TIP3A 198 46.966 45.430 9.874 1.00 0.00 H -ATOM 595 O1 TIP3A 199 43.052 17.636 42.591 1.00 0.00 O -ATOM 596 H1 TIP3A 199 43.937 17.935 42.797 1.00 0.00 H -ATOM 597 H2 TIP3A 199 43.161 17.070 41.827 1.00 0.00 H -ATOM 598 O1 TIP3A 200 24.798 57.913 7.148 1.00 0.00 O -ATOM 599 H1 TIP3A 200 25.368 57.893 7.916 1.00 0.00 H -ATOM 600 H2 TIP3A 200 24.928 57.061 6.730 1.00 0.00 H -ATOM 601 O1 TIP3A 201 50.088 27.552 52.314 1.00 0.00 O -ATOM 602 H1 TIP3A 201 49.493 28.226 51.987 1.00 0.00 H -ATOM 603 H2 TIP3A 201 50.824 28.040 52.684 1.00 0.00 H -ATOM 604 O1 TIP3A 202 20.439 30.277 55.392 1.00 0.00 O -ATOM 605 H1 TIP3A 202 20.130 31.182 55.382 1.00 0.00 H -ATOM 606 H2 TIP3A 202 21.321 30.321 55.022 1.00 0.00 H -ATOM 607 O1 TIP3A 203 28.241 6.637 9.259 1.00 0.00 O -ATOM 608 H1 TIP3A 203 29.180 6.563 9.097 1.00 0.00 H -ATOM 609 H2 TIP3A 203 27.834 6.140 8.548 1.00 0.00 H -ATOM 610 O1 TIP3A 204 30.758 53.683 8.276 1.00 0.00 O -ATOM 611 H1 TIP3A 204 29.805 53.625 8.217 1.00 0.00 H -ATOM 612 H2 TIP3A 204 31.075 53.207 7.508 1.00 0.00 H -ATOM 613 O1 TIP3A 205 2.469 40.164 55.140 1.00 0.00 O -ATOM 614 H1 TIP3A 205 2.940 40.859 55.597 1.00 0.00 H -ATOM 615 H2 TIP3A 205 2.097 39.625 55.840 1.00 0.00 H -ATOM 616 O1 TIP3A 206 39.004 4.141 22.635 1.00 0.00 O -ATOM 617 H1 TIP3A 206 38.481 4.918 22.444 1.00 0.00 H -ATOM 618 H2 TIP3A 206 39.538 4.011 21.851 1.00 0.00 H -ATOM 619 O1 TIP3A 207 30.815 52.615 14.207 1.00 0.00 O -ATOM 620 H1 TIP3A 207 31.016 53.503 13.913 1.00 0.00 H -ATOM 621 H2 TIP3A 207 31.292 52.048 13.601 1.00 0.00 H -ATOM 622 O1 TIP3A 208 40.565 0.251 30.424 1.00 0.00 O -ATOM 623 H1 TIP3A 208 40.127 0.500 31.238 1.00 0.00 H -ATOM 624 H2 TIP3A 208 40.563 1.051 29.896 1.00 0.00 H -ATOM 625 O1 TIP3A 209 10.129 30.674 41.974 1.00 0.00 O -ATOM 626 H1 TIP3A 209 10.989 30.267 41.869 1.00 0.00 H -ATOM 627 H2 TIP3A 209 9.954 30.625 42.914 1.00 0.00 H -ATOM 628 O1 TIP3A 210 48.270 3.991 6.077 1.00 0.00 O -ATOM 629 H1 TIP3A 210 48.744 4.770 5.788 1.00 0.00 H -ATOM 630 H2 TIP3A 210 48.945 3.425 6.452 1.00 0.00 H -ATOM 631 O1 TIP3A 211 18.030 39.027 23.523 1.00 0.00 O -ATOM 632 H1 TIP3A 211 18.322 38.167 23.825 1.00 0.00 H -ATOM 633 H2 TIP3A 211 17.205 39.176 23.984 1.00 0.00 H -ATOM 634 O1 TIP3A 212 20.644 40.615 22.712 1.00 0.00 O -ATOM 635 H1 TIP3A 212 21.270 40.340 22.042 1.00 0.00 H -ATOM 636 H2 TIP3A 212 20.364 41.488 22.435 1.00 0.00 H -ATOM 637 O1 TIP3A 213 52.641 38.958 28.932 1.00 0.00 O -ATOM 638 H1 TIP3A 213 52.614 39.912 28.867 1.00 0.00 H -ATOM 639 H2 TIP3A 213 53.530 38.724 28.662 1.00 0.00 H -ATOM 640 O1 TIP3A 214 41.013 6.338 5.706 1.00 0.00 O -ATOM 641 H1 TIP3A 214 40.083 6.240 5.503 1.00 0.00 H -ATOM 642 H2 TIP3A 214 41.029 6.647 6.612 1.00 0.00 H -ATOM 643 O1 TIP3A 215 13.430 36.211 7.706 1.00 0.00 O -ATOM 644 H1 TIP3A 215 12.804 35.500 7.842 1.00 0.00 H -ATOM 645 H2 TIP3A 215 13.024 36.764 7.039 1.00 0.00 H -ATOM 646 O1 TIP3A 216 34.299 40.230 43.929 1.00 0.00 O -ATOM 647 H1 TIP3A 216 34.194 41.001 43.373 1.00 0.00 H -ATOM 648 H2 TIP3A 216 33.608 40.311 44.586 1.00 0.00 H -ATOM 649 O1 TIP3A 217 44.181 44.372 5.592 1.00 0.00 O -ATOM 650 H1 TIP3A 217 44.942 44.107 5.075 1.00 0.00 H -ATOM 651 H2 TIP3A 217 43.528 43.691 5.425 1.00 0.00 H -ATOM 652 O1 TIP3A 218 38.740 19.484 5.137 1.00 0.00 O -ATOM 653 H1 TIP3A 218 37.805 19.298 5.057 1.00 0.00 H -ATOM 654 H2 TIP3A 218 38.828 19.907 5.992 1.00 0.00 H -ATOM 655 O1 TIP3A 219 55.299 7.684 50.087 1.00 0.00 O -ATOM 656 H1 TIP3A 219 55.313 7.024 49.395 1.00 0.00 H -ATOM 657 H2 TIP3A 219 54.849 7.257 50.817 1.00 0.00 H -ATOM 658 O1 TIP3A 220 21.857 32.473 54.847 1.00 0.00 O -ATOM 659 H1 TIP3A 220 21.940 33.207 54.240 1.00 0.00 H -ATOM 660 H2 TIP3A 220 21.971 32.864 55.714 1.00 0.00 H -ATOM 661 O1 TIP3A 221 10.352 14.019 48.268 1.00 0.00 O -ATOM 662 H1 TIP3A 221 11.244 13.703 48.408 1.00 0.00 H -ATOM 663 H2 TIP3A 221 10.295 14.817 48.794 1.00 0.00 H -ATOM 664 O1 TIP3A 222 26.711 24.820 26.560 1.00 0.00 O -ATOM 665 H1 TIP3A 222 26.852 24.773 27.505 1.00 0.00 H -ATOM 666 H2 TIP3A 222 27.384 24.250 26.188 1.00 0.00 H -ATOM 667 O1 TIP3A 223 30.030 7.222 46.468 1.00 0.00 O -ATOM 668 H1 TIP3A 223 30.394 7.921 45.926 1.00 0.00 H -ATOM 669 H2 TIP3A 223 30.686 6.525 46.434 1.00 0.00 H -ATOM 670 O1 TIP3A 224 34.900 42.107 5.812 1.00 0.00 O -ATOM 671 H1 TIP3A 224 34.772 41.159 5.845 1.00 0.00 H -ATOM 672 H2 TIP3A 224 34.022 42.471 5.922 1.00 0.00 H -ATOM 673 O1 TIP3A 225 43.333 16.077 23.586 1.00 0.00 O -ATOM 674 H1 TIP3A 225 43.520 16.729 24.260 1.00 0.00 H -ATOM 675 H2 TIP3A 225 42.390 16.153 23.434 1.00 0.00 H -ATOM 676 O1 TIP3A 226 29.293 18.336 20.657 1.00 0.00 O -ATOM 677 H1 TIP3A 226 29.298 18.407 19.703 1.00 0.00 H -ATOM 678 H2 TIP3A 226 29.735 17.505 20.837 1.00 0.00 H -ATOM 679 O1 TIP3A 227 10.240 3.307 6.743 1.00 0.00 O -ATOM 680 H1 TIP3A 227 9.387 3.737 6.689 1.00 0.00 H -ATOM 681 H2 TIP3A 227 10.775 3.752 6.084 1.00 0.00 H -ATOM 682 O1 TIP3A 228 4.377 27.788 14.526 1.00 0.00 O -ATOM 683 H1 TIP3A 228 4.911 27.004 14.402 1.00 0.00 H -ATOM 684 H2 TIP3A 228 4.745 28.427 13.915 1.00 0.00 H -ATOM 685 O1 TIP3A 229 31.949 13.561 53.149 1.00 0.00 O -ATOM 686 H1 TIP3A 229 32.890 13.568 53.321 1.00 0.00 H -ATOM 687 H2 TIP3A 229 31.818 12.820 52.557 1.00 0.00 H -ATOM 688 O1 TIP3A 230 44.235 50.025 12.251 1.00 0.00 O -ATOM 689 H1 TIP3A 230 43.281 50.043 12.181 1.00 0.00 H -ATOM 690 H2 TIP3A 230 44.532 50.728 11.672 1.00 0.00 H -ATOM 691 O1 TIP3A 231 27.320 43.900 18.591 1.00 0.00 O -ATOM 692 H1 TIP3A 231 27.119 43.016 18.897 1.00 0.00 H -ATOM 693 H2 TIP3A 231 26.791 44.005 17.799 1.00 0.00 H -ATOM 694 O1 TIP3A 232 50.246 31.020 2.446 1.00 0.00 O -ATOM 695 H1 TIP3A 232 49.634 30.722 3.117 1.00 0.00 H -ATOM 696 H2 TIP3A 232 49.879 31.848 2.135 1.00 0.00 H -ATOM 697 O1 TIP3A 233 51.102 24.631 38.530 1.00 0.00 O -ATOM 698 H1 TIP3A 233 51.681 25.348 38.789 1.00 0.00 H -ATOM 699 H2 TIP3A 233 50.540 24.489 39.293 1.00 0.00 H -ATOM 700 O1 TIP3A 234 35.485 7.459 56.038 1.00 0.00 O -ATOM 701 H1 TIP3A 234 36.112 7.512 56.759 1.00 0.00 H -ATOM 702 H2 TIP3A 234 34.742 7.991 56.327 1.00 0.00 H -ATOM 703 O1 TIP3A 235 51.064 52.740 8.474 1.00 0.00 O -ATOM 704 H1 TIP3A 235 51.311 51.816 8.452 1.00 0.00 H -ATOM 705 H2 TIP3A 235 51.088 52.973 9.402 1.00 0.00 H -ATOM 706 O1 TIP3A 236 42.331 27.257 18.509 1.00 0.00 O -ATOM 707 H1 TIP3A 236 43.062 27.836 18.293 1.00 0.00 H -ATOM 708 H2 TIP3A 236 42.244 27.325 19.460 1.00 0.00 H -ATOM 709 O1 TIP3A 237 2.176 57.287 41.933 1.00 0.00 O -ATOM 710 H1 TIP3A 237 2.901 56.726 41.659 1.00 0.00 H -ATOM 711 H2 TIP3A 237 2.042 57.884 41.195 1.00 0.00 H -ATOM 712 O1 TIP3A 238 41.197 48.358 45.700 1.00 0.00 O -ATOM 713 H1 TIP3A 238 40.750 49.050 45.212 1.00 0.00 H -ATOM 714 H2 TIP3A 238 41.515 48.791 46.493 1.00 0.00 H -ATOM 715 O1 TIP3A 239 36.722 54.902 19.408 1.00 0.00 O -ATOM 716 H1 TIP3A 239 35.795 54.910 19.646 1.00 0.00 H -ATOM 717 H2 TIP3A 239 36.747 55.281 18.529 1.00 0.00 H -ATOM 718 O1 TIP3A 240 22.362 22.278 34.781 1.00 0.00 O -ATOM 719 H1 TIP3A 240 23.310 22.295 34.653 1.00 0.00 H -ATOM 720 H2 TIP3A 240 22.238 22.543 35.693 1.00 0.00 H -ATOM 721 O1 TIP3A 241 30.597 27.907 50.616 1.00 0.00 O -ATOM 722 H1 TIP3A 241 31.112 27.542 49.898 1.00 0.00 H -ATOM 723 H2 TIP3A 241 29.689 27.839 50.319 1.00 0.00 H -ATOM 724 O1 TIP3A 242 29.120 44.892 28.012 1.00 0.00 O -ATOM 725 H1 TIP3A 242 28.592 45.677 28.155 1.00 0.00 H -ATOM 726 H2 TIP3A 242 28.683 44.211 28.526 1.00 0.00 H -ATOM 727 O1 TIP3A 243 9.494 33.037 2.378 1.00 0.00 O -ATOM 728 H1 TIP3A 243 8.689 33.509 2.588 1.00 0.00 H -ATOM 729 H2 TIP3A 243 9.550 32.350 3.043 1.00 0.00 H -ATOM 730 O1 TIP3A 244 40.759 5.642 2.430 1.00 0.00 O -ATOM 731 H1 TIP3A 244 40.132 6.364 2.419 1.00 0.00 H -ATOM 732 H2 TIP3A 244 41.527 5.984 1.971 1.00 0.00 H -ATOM 733 O1 TIP3A 245 3.936 22.866 54.225 1.00 0.00 O -ATOM 734 H1 TIP3A 245 3.594 22.305 54.920 1.00 0.00 H -ATOM 735 H2 TIP3A 245 3.793 23.757 54.543 1.00 0.00 H -ATOM 736 O1 TIP3A 246 51.611 27.311 4.496 1.00 0.00 O -ATOM 737 H1 TIP3A 246 52.481 27.639 4.721 1.00 0.00 H -ATOM 738 H2 TIP3A 246 51.032 27.695 5.155 1.00 0.00 H -ATOM 739 O1 TIP3A 247 43.793 39.585 24.926 1.00 0.00 O -ATOM 740 H1 TIP3A 247 44.633 39.719 24.488 1.00 0.00 H -ATOM 741 H2 TIP3A 247 44.011 39.101 25.723 1.00 0.00 H -ATOM 742 O1 TIP3A 248 11.575 55.082 27.760 1.00 0.00 O -ATOM 743 H1 TIP3A 248 11.005 55.036 28.526 1.00 0.00 H -ATOM 744 H2 TIP3A 248 11.397 54.273 27.279 1.00 0.00 H -ATOM 745 O1 TIP3A 249 0.535 39.404 29.683 1.00 0.00 O -ATOM 746 H1 TIP3A 249 0.294 38.483 29.775 1.00 0.00 H -ATOM 747 H2 TIP3A 249 1.400 39.387 29.274 1.00 0.00 H -ATOM 748 O1 TIP3A 250 23.204 23.806 22.489 1.00 0.00 O -ATOM 749 H1 TIP3A 250 24.022 24.281 22.634 1.00 0.00 H -ATOM 750 H2 TIP3A 250 23.198 23.618 21.550 1.00 0.00 H -ATOM 751 O1 TIP3A 251 2.908 32.520 13.424 1.00 0.00 O -ATOM 752 H1 TIP3A 251 2.622 33.180 12.793 1.00 0.00 H -ATOM 753 H2 TIP3A 251 3.748 32.847 13.749 1.00 0.00 H -ATOM 754 O1 TIP3A 252 25.358 11.203 10.232 1.00 0.00 O -ATOM 755 H1 TIP3A 252 24.584 10.834 9.809 1.00 0.00 H -ATOM 756 H2 TIP3A 252 25.039 11.534 11.072 1.00 0.00 H -ATOM 757 O1 TIP3A 253 13.967 28.034 19.827 1.00 0.00 O -ATOM 758 H1 TIP3A 253 14.287 27.286 19.324 1.00 0.00 H -ATOM 759 H2 TIP3A 253 13.802 27.682 20.703 1.00 0.00 H -ATOM 760 O1 TIP3A 254 51.534 47.147 57.524 1.00 0.00 O -ATOM 761 H1 TIP3A 254 50.637 47.471 57.446 1.00 0.00 H -ATOM 762 H2 TIP3A 254 51.453 46.334 58.024 1.00 0.00 H -ATOM 763 O1 TIP3A 255 38.482 56.435 29.997 1.00 0.00 O -ATOM 764 H1 TIP3A 255 39.154 57.009 30.364 1.00 0.00 H -ATOM 765 H2 TIP3A 255 37.902 57.023 29.513 1.00 0.00 H -ATOM 766 O1 TIP3A 256 33.583 5.946 55.667 1.00 0.00 O -ATOM 767 H1 TIP3A 256 34.446 5.627 55.405 1.00 0.00 H -ATOM 768 H2 TIP3A 256 33.039 5.833 54.887 1.00 0.00 H -ATOM 769 O1 TIP3A 257 17.577 56.149 17.533 1.00 0.00 O -ATOM 770 H1 TIP3A 257 18.126 56.049 16.757 1.00 0.00 H -ATOM 771 H2 TIP3A 257 17.974 56.875 18.016 1.00 0.00 H -ATOM 772 O1 TIP3A 258 6.989 42.144 13.646 1.00 0.00 O -ATOM 773 H1 TIP3A 258 7.214 41.854 14.529 1.00 0.00 H -ATOM 774 H2 TIP3A 258 6.082 42.444 13.716 1.00 0.00 H -ATOM 775 O1 TIP3A 259 21.029 42.278 46.564 1.00 0.00 O -ATOM 776 H1 TIP3A 259 20.127 42.294 46.883 1.00 0.00 H -ATOM 777 H2 TIP3A 259 21.524 41.854 47.267 1.00 0.00 H -ATOM 778 O1 TIP3A 260 51.639 28.375 45.854 1.00 0.00 O -ATOM 779 H1 TIP3A 260 52.087 27.611 46.215 1.00 0.00 H -ATOM 780 H2 TIP3A 260 51.734 28.284 44.905 1.00 0.00 H -ATOM 781 O1 TIP3A 261 16.518 28.891 46.537 1.00 0.00 O -ATOM 782 H1 TIP3A 261 15.707 28.501 46.212 1.00 0.00 H -ATOM 783 H2 TIP3A 261 17.059 29.007 45.755 1.00 0.00 H -ATOM 784 O1 TIP3A 262 54.706 15.279 24.035 1.00 0.00 O -ATOM 785 H1 TIP3A 262 54.358 14.715 24.725 1.00 0.00 H -ATOM 786 H2 TIP3A 262 54.511 14.812 23.221 1.00 0.00 H -ATOM 787 O1 TIP3A 263 44.911 26.602 19.257 1.00 0.00 O -ATOM 788 H1 TIP3A 263 44.344 26.683 20.024 1.00 0.00 H -ATOM 789 H2 TIP3A 263 44.526 25.889 18.748 1.00 0.00 H -ATOM 790 O1 TIP3A 264 29.021 42.058 9.950 1.00 0.00 O -ATOM 791 H1 TIP3A 264 28.625 41.247 9.635 1.00 0.00 H -ATOM 792 H2 TIP3A 264 29.378 41.833 10.810 1.00 0.00 H -ATOM 793 O1 TIP3A 265 43.479 11.016 39.382 1.00 0.00 O -ATOM 794 H1 TIP3A 265 42.860 11.231 40.079 1.00 0.00 H -ATOM 795 H2 TIP3A 265 43.078 11.372 38.588 1.00 0.00 H -ATOM 796 O1 TIP3A 266 3.860 56.151 31.747 1.00 0.00 O -ATOM 797 H1 TIP3A 266 4.705 55.882 32.105 1.00 0.00 H -ATOM 798 H2 TIP3A 266 3.214 55.757 32.335 1.00 0.00 H -ATOM 799 O1 TIP3A 267 50.561 5.105 50.087 1.00 0.00 O -ATOM 800 H1 TIP3A 267 50.767 5.990 49.788 1.00 0.00 H -ATOM 801 H2 TIP3A 267 51.335 4.588 49.858 1.00 0.00 H -ATOM 802 O1 TIP3A 268 16.061 41.439 49.193 1.00 0.00 O -ATOM 803 H1 TIP3A 268 16.115 41.978 49.981 1.00 0.00 H -ATOM 804 H2 TIP3A 268 16.811 41.711 48.663 1.00 0.00 H -ATOM 805 O1 TIP3A 269 13.941 42.774 44.609 1.00 0.00 O -ATOM 806 H1 TIP3A 269 13.455 43.362 44.032 1.00 0.00 H -ATOM 807 H2 TIP3A 269 14.476 42.244 44.016 1.00 0.00 H -ATOM 808 O1 TIP3A 270 34.968 48.015 24.743 1.00 0.00 O -ATOM 809 H1 TIP3A 270 35.887 47.796 24.595 1.00 0.00 H -ATOM 810 H2 TIP3A 270 34.481 47.366 24.235 1.00 0.00 H -ATOM 811 O1 TIP3A 271 20.320 56.406 46.655 1.00 0.00 O -ATOM 812 H1 TIP3A 271 20.237 56.700 45.749 1.00 0.00 H -ATOM 813 H2 TIP3A 271 21.122 55.883 46.666 1.00 0.00 H -ATOM 814 O1 TIP3A 272 24.487 36.483 18.329 1.00 0.00 O -ATOM 815 H1 TIP3A 272 25.417 36.708 18.342 1.00 0.00 H -ATOM 816 H2 TIP3A 272 24.271 36.302 19.244 1.00 0.00 H -ATOM 817 O1 TIP3A 273 32.304 35.799 45.137 1.00 0.00 O -ATOM 818 H1 TIP3A 273 31.718 36.554 45.088 1.00 0.00 H -ATOM 819 H2 TIP3A 273 33.054 36.042 44.594 1.00 0.00 H -ATOM 820 O1 TIP3A 274 10.708 50.368 3.182 1.00 0.00 O -ATOM 821 H1 TIP3A 274 9.770 50.191 3.119 1.00 0.00 H -ATOM 822 H2 TIP3A 274 11.022 49.758 3.850 1.00 0.00 H -ATOM 823 O1 TIP3A 275 27.337 37.337 26.839 1.00 0.00 O -ATOM 824 H1 TIP3A 275 27.296 38.264 26.604 1.00 0.00 H -ATOM 825 H2 TIP3A 275 26.990 37.300 27.731 1.00 0.00 H -ATOM 826 O1 TIP3A 276 43.073 7.162 20.946 1.00 0.00 O -ATOM 827 H1 TIP3A 276 42.240 7.052 21.402 1.00 0.00 H -ATOM 828 H2 TIP3A 276 43.731 7.158 21.642 1.00 0.00 H -ATOM 829 O1 TIP3A 277 39.679 19.540 8.538 1.00 0.00 O -ATOM 830 H1 TIP3A 277 40.184 20.234 8.115 1.00 0.00 H -ATOM 831 H2 TIP3A 277 39.526 18.898 7.845 1.00 0.00 H -ATOM 832 O1 TIP3A 278 23.266 57.221 39.723 1.00 0.00 O -ATOM 833 H1 TIP3A 278 22.549 57.545 40.267 1.00 0.00 H -ATOM 834 H2 TIP3A 278 23.793 57.998 39.533 1.00 0.00 H -ATOM 835 O1 TIP3A 279 23.823 45.181 23.624 1.00 0.00 O -ATOM 836 H1 TIP3A 279 24.072 45.098 22.704 1.00 0.00 H -ATOM 837 H2 TIP3A 279 22.891 45.399 23.602 1.00 0.00 H -ATOM 838 O1 TIP3A 280 26.732 53.849 46.872 1.00 0.00 O -ATOM 839 H1 TIP3A 280 26.638 53.089 46.298 1.00 0.00 H -ATOM 840 H2 TIP3A 280 27.677 53.991 46.930 1.00 0.00 H -ATOM 841 O1 TIP3A 281 1.781 10.708 52.577 1.00 0.00 O -ATOM 842 H1 TIP3A 281 2.698 10.952 52.461 1.00 0.00 H -ATOM 843 H2 TIP3A 281 1.612 10.071 51.883 1.00 0.00 H -ATOM 844 O1 TIP3A 282 4.534 34.021 57.057 1.00 0.00 O -ATOM 845 H1 TIP3A 282 5.150 33.434 57.493 1.00 0.00 H -ATOM 846 H2 TIP3A 282 3.803 33.456 56.802 1.00 0.00 H -ATOM 847 O1 TIP3A 283 27.070 1.252 40.540 1.00 0.00 O -ATOM 848 H1 TIP3A 283 26.577 2.058 40.388 1.00 0.00 H -ATOM 849 H2 TIP3A 283 27.351 0.974 39.668 1.00 0.00 H -ATOM 850 O1 TIP3A 284 21.184 44.359 40.238 1.00 0.00 O -ATOM 851 H1 TIP3A 284 21.357 44.387 41.178 1.00 0.00 H -ATOM 852 H2 TIP3A 284 21.211 45.275 39.960 1.00 0.00 H -ATOM 853 O1 TIP3A 285 39.159 42.234 57.463 1.00 0.00 O -ATOM 854 H1 TIP3A 285 39.749 42.986 57.499 1.00 0.00 H -ATOM 855 H2 TIP3A 285 38.311 42.580 57.742 1.00 0.00 H -ATOM 856 O1 TIP3A 286 46.954 57.551 28.500 1.00 0.00 O -ATOM 857 H1 TIP3A 286 47.797 58.001 28.475 1.00 0.00 H -ATOM 858 H2 TIP3A 286 47.031 56.858 27.844 1.00 0.00 H -ATOM 859 O1 TIP3A 287 6.673 16.232 44.210 1.00 0.00 O -ATOM 860 H1 TIP3A 287 5.977 16.400 43.575 1.00 0.00 H -ATOM 861 H2 TIP3A 287 7.480 16.466 43.750 1.00 0.00 H -ATOM 862 O1 TIP3A 288 55.749 37.390 12.320 1.00 0.00 O -ATOM 863 H1 TIP3A 288 55.307 38.238 12.337 1.00 0.00 H -ATOM 864 H2 TIP3A 288 55.280 36.861 12.966 1.00 0.00 H -ATOM 865 O1 TIP3A 289 18.279 36.169 29.602 1.00 0.00 O -ATOM 866 H1 TIP3A 289 18.170 35.953 30.528 1.00 0.00 H -ATOM 867 H2 TIP3A 289 18.666 37.045 29.604 1.00 0.00 H -ATOM 868 O1 TIP3A 290 3.427 14.245 24.740 1.00 0.00 O -ATOM 869 H1 TIP3A 290 2.736 13.589 24.824 1.00 0.00 H -ATOM 870 H2 TIP3A 290 3.113 14.838 24.056 1.00 0.00 H -ATOM 871 O1 TIP3A 291 33.102 57.391 3.137 1.00 0.00 O -ATOM 872 H1 TIP3A 291 33.265 56.452 3.219 1.00 0.00 H -ATOM 873 H2 TIP3A 291 32.681 57.636 3.962 1.00 0.00 H -ATOM 874 O1 TIP3A 292 39.697 33.443 5.494 1.00 0.00 O -ATOM 875 H1 TIP3A 292 39.548 34.385 5.423 1.00 0.00 H -ATOM 876 H2 TIP3A 292 39.126 33.162 6.210 1.00 0.00 H -ATOM 877 O1 TIP3A 293 38.521 33.269 53.114 1.00 0.00 O -ATOM 878 H1 TIP3A 293 38.838 34.046 53.573 1.00 0.00 H -ATOM 879 H2 TIP3A 293 37.827 32.924 53.676 1.00 0.00 H -ATOM 880 O1 TIP3A 294 22.886 36.174 52.678 1.00 0.00 O -ATOM 881 H1 TIP3A 294 23.052 37.093 52.470 1.00 0.00 H -ATOM 882 H2 TIP3A 294 23.531 35.960 53.353 1.00 0.00 H -ATOM 883 O1 TIP3A 295 50.526 39.195 8.629 1.00 0.00 O -ATOM 884 H1 TIP3A 295 50.581 39.348 9.572 1.00 0.00 H -ATOM 885 H2 TIP3A 295 49.613 38.948 8.479 1.00 0.00 H -ATOM 886 O1 TIP3A 296 47.156 13.731 6.219 1.00 0.00 O -ATOM 887 H1 TIP3A 296 47.170 12.780 6.115 1.00 0.00 H -ATOM 888 H2 TIP3A 296 46.479 14.029 5.611 1.00 0.00 H -ATOM 889 O1 TIP3A 297 48.502 25.691 52.010 1.00 0.00 O -ATOM 890 H1 TIP3A 297 49.432 25.481 51.931 1.00 0.00 H -ATOM 891 H2 TIP3A 297 48.059 25.014 51.496 1.00 0.00 H -ATOM 892 O1 TIP3A 298 33.323 22.138 40.367 1.00 0.00 O -ATOM 893 H1 TIP3A 298 33.692 22.278 41.239 1.00 0.00 H -ATOM 894 H2 TIP3A 298 33.238 21.187 40.292 1.00 0.00 H -ATOM 895 O1 TIP3A 299 10.815 24.879 23.673 1.00 0.00 O -ATOM 896 H1 TIP3A 299 10.304 24.972 24.476 1.00 0.00 H -ATOM 897 H2 TIP3A 299 11.674 25.242 23.892 1.00 0.00 H -ATOM 898 O1 TIP3A 300 48.765 51.330 15.635 1.00 0.00 O -ATOM 899 H1 TIP3A 300 49.028 50.410 15.647 1.00 0.00 H -ATOM 900 H2 TIP3A 300 49.366 51.760 16.243 1.00 0.00 H -ATOM 901 O1 TIP3A 301 18.070 7.785 35.573 1.00 0.00 O -ATOM 902 H1 TIP3A 301 17.316 7.940 36.141 1.00 0.00 H -ATOM 903 H2 TIP3A 301 17.799 8.121 34.718 1.00 0.00 H -ATOM 904 O1 TIP3A 302 45.699 20.960 42.938 1.00 0.00 O -ATOM 905 H1 TIP3A 302 45.157 21.747 42.887 1.00 0.00 H -ATOM 906 H2 TIP3A 302 45.215 20.373 43.521 1.00 0.00 H -ATOM 907 O1 TIP3A 303 9.749 21.853 39.631 1.00 0.00 O -ATOM 908 H1 TIP3A 303 10.166 21.046 39.332 1.00 0.00 H -ATOM 909 H2 TIP3A 303 8.885 21.845 39.216 1.00 0.00 H -ATOM 910 O1 TIP3A 304 49.081 46.969 37.242 1.00 0.00 O -ATOM 911 H1 TIP3A 304 48.806 47.886 37.258 1.00 0.00 H -ATOM 912 H2 TIP3A 304 49.906 46.974 36.755 1.00 0.00 H -ATOM 913 O1 TIP3A 305 32.741 33.608 33.258 1.00 0.00 O -ATOM 914 H1 TIP3A 305 32.442 33.898 32.397 1.00 0.00 H -ATOM 915 H2 TIP3A 305 32.836 34.415 33.764 1.00 0.00 H -ATOM 916 O1 TIP3A 306 21.096 16.171 17.775 1.00 0.00 O -ATOM 917 H1 TIP3A 306 21.725 15.877 17.117 1.00 0.00 H -ATOM 918 H2 TIP3A 306 21.591 16.176 18.595 1.00 0.00 H -ATOM 919 O1 TIP3A 307 5.817 6.962 23.417 1.00 0.00 O -ATOM 920 H1 TIP3A 307 6.462 6.256 23.397 1.00 0.00 H -ATOM 921 H2 TIP3A 307 5.154 6.699 22.778 1.00 0.00 H -ATOM 922 O1 TIP3A 308 11.757 3.193 25.767 1.00 0.00 O -ATOM 923 H1 TIP3A 308 12.057 3.948 26.271 1.00 0.00 H -ATOM 924 H2 TIP3A 308 11.206 3.567 25.078 1.00 0.00 H -ATOM 925 O1 TIP3A 309 47.827 25.200 18.815 1.00 0.00 O -ATOM 926 H1 TIP3A 309 48.110 24.291 18.724 1.00 0.00 H -ATOM 927 H2 TIP3A 309 48.086 25.444 19.703 1.00 0.00 H -ATOM 928 O1 TIP3A 310 5.200 33.469 21.579 1.00 0.00 O -ATOM 929 H1 TIP3A 310 6.066 33.774 21.848 1.00 0.00 H -ATOM 930 H2 TIP3A 310 4.763 34.253 21.243 1.00 0.00 H -ATOM 931 O1 TIP3A 311 55.899 30.762 19.289 1.00 0.00 O -ATOM 932 H1 TIP3A 311 55.469 30.367 20.047 1.00 0.00 H -ATOM 933 H2 TIP3A 311 56.806 30.459 19.343 1.00 0.00 H -ATOM 934 O1 TIP3A 312 26.033 47.798 33.304 1.00 0.00 O -ATOM 935 H1 TIP3A 312 25.477 47.026 33.405 1.00 0.00 H -ATOM 936 H2 TIP3A 312 25.499 48.523 33.630 1.00 0.00 H -ATOM 937 O1 TIP3A 313 41.351 37.134 11.061 1.00 0.00 O -ATOM 938 H1 TIP3A 313 42.138 36.635 10.844 1.00 0.00 H -ATOM 939 H2 TIP3A 313 41.621 38.050 10.994 1.00 0.00 H -ATOM 940 O1 TIP3A 314 5.815 20.138 0.436 1.00 0.00 O -ATOM 941 H1 TIP3A 314 6.140 19.238 0.450 1.00 0.00 H -ATOM 942 H2 TIP3A 314 6.347 20.596 1.088 1.00 0.00 H -ATOM 943 O1 TIP3A 315 28.420 48.329 31.502 1.00 0.00 O -ATOM 944 H1 TIP3A 315 29.250 47.948 31.788 1.00 0.00 H -ATOM 945 H2 TIP3A 315 27.787 47.615 31.580 1.00 0.00 H -ATOM 946 O1 TIP3A 316 41.563 41.837 53.141 1.00 0.00 O -ATOM 947 H1 TIP3A 316 41.795 41.044 52.659 1.00 0.00 H -ATOM 948 H2 TIP3A 316 41.066 42.363 52.513 1.00 0.00 H -ATOM 949 O1 TIP3A 317 26.022 39.190 31.959 1.00 0.00 O -ATOM 950 H1 TIP3A 317 25.812 40.047 32.327 1.00 0.00 H -ATOM 951 H2 TIP3A 317 25.549 38.568 32.513 1.00 0.00 H -ATOM 952 O1 TIP3A 318 0.939 39.273 22.703 1.00 0.00 O -ATOM 953 H1 TIP3A 318 1.276 40.159 22.581 1.00 0.00 H -ATOM 954 H2 TIP3A 318 -0.000 39.347 22.529 1.00 0.00 H -ATOM 955 O1 TIP3A 319 39.033 12.280 36.207 1.00 0.00 O -ATOM 956 H1 TIP3A 319 39.089 13.023 36.808 1.00 0.00 H -ATOM 957 H2 TIP3A 319 38.964 11.515 36.779 1.00 0.00 H -ATOM 958 O1 TIP3A 320 4.078 42.225 14.606 1.00 0.00 O -ATOM 959 H1 TIP3A 320 3.423 41.791 15.152 1.00 0.00 H -ATOM 960 H2 TIP3A 320 3.647 43.027 14.307 1.00 0.00 H -ATOM 961 O1 TIP3A 321 3.873 15.873 13.006 1.00 0.00 O -ATOM 962 H1 TIP3A 321 4.323 15.034 13.096 1.00 0.00 H -ATOM 963 H2 TIP3A 321 4.332 16.458 13.610 1.00 0.00 H -ATOM 964 O1 TIP3A 322 16.309 23.040 22.712 1.00 0.00 O -ATOM 965 H1 TIP3A 322 16.268 22.342 23.366 1.00 0.00 H -ATOM 966 H2 TIP3A 322 15.395 23.280 22.560 1.00 0.00 H -ATOM 967 O1 TIP3A 323 55.978 22.577 26.443 1.00 0.00 O -ATOM 968 H1 TIP3A 323 55.195 22.059 26.629 1.00 0.00 H -ATOM 969 H2 TIP3A 323 56.708 21.987 26.635 1.00 0.00 H -ATOM 970 O1 TIP3A 324 17.938 34.726 11.301 1.00 0.00 O -ATOM 971 H1 TIP3A 324 17.440 34.782 12.116 1.00 0.00 H -ATOM 972 H2 TIP3A 324 17.571 33.966 10.847 1.00 0.00 H -ATOM 973 O1 TIP3A 325 34.844 26.109 51.317 1.00 0.00 O -ATOM 974 H1 TIP3A 325 34.170 26.439 50.724 1.00 0.00 H -ATOM 975 H2 TIP3A 325 34.400 25.436 51.834 1.00 0.00 H -ATOM 976 O1 TIP3A 326 54.434 46.191 18.398 1.00 0.00 O -ATOM 977 H1 TIP3A 326 55.380 46.050 18.396 1.00 0.00 H -ATOM 978 H2 TIP3A 326 54.095 45.558 17.764 1.00 0.00 H -ATOM 979 O1 TIP3A 327 49.715 8.330 48.724 1.00 0.00 O -ATOM 980 H1 TIP3A 327 48.792 8.529 48.570 1.00 0.00 H -ATOM 981 H2 TIP3A 327 49.837 7.454 48.358 1.00 0.00 H -ATOM 982 O1 TIP3A 328 14.071 1.959 2.531 1.00 0.00 O -ATOM 983 H1 TIP3A 328 15.001 1.966 2.306 1.00 0.00 H -ATOM 984 H2 TIP3A 328 13.620 1.966 1.687 1.00 0.00 H -ATOM 985 O1 TIP3A 329 4.931 53.009 25.506 1.00 0.00 O -ATOM 986 H1 TIP3A 329 4.354 52.567 24.884 1.00 0.00 H -ATOM 987 H2 TIP3A 329 4.619 53.915 25.520 1.00 0.00 H -ATOM 988 O1 TIP3A 330 13.193 35.126 38.929 1.00 0.00 O -ATOM 989 H1 TIP3A 330 12.387 35.629 38.818 1.00 0.00 H -ATOM 990 H2 TIP3A 330 12.920 34.334 39.395 1.00 0.00 H -ATOM 991 O1 TIP3A 331 40.658 39.143 32.152 1.00 0.00 O -ATOM 992 H1 TIP3A 331 39.962 39.792 32.061 1.00 0.00 H -ATOM 993 H2 TIP3A 331 40.666 38.929 33.086 1.00 0.00 H -ATOM 994 O1 TIP3A 332 29.315 50.532 16.899 1.00 0.00 O -ATOM 995 H1 TIP3A 332 28.782 51.091 17.464 1.00 0.00 H -ATOM 996 H2 TIP3A 332 28.938 49.658 17.001 1.00 0.00 H -ATOM 997 O1 TIP3A 333 32.498 57.534 35.809 1.00 0.00 O -ATOM 998 H1 TIP3A 333 31.683 58.034 35.821 1.00 0.00 H -ATOM 999 H2 TIP3A 333 32.287 56.718 36.263 1.00 0.00 H -ATOM 1000 O1 TIP3A 334 53.938 32.921 51.172 1.00 0.00 O -ATOM 1001 H1 TIP3A 334 54.520 33.208 50.470 1.00 0.00 H -ATOM 1002 H2 TIP3A 334 54.519 32.762 51.916 1.00 0.00 H -ATOM 1003 O1 TIP3A 335 44.102 55.674 42.537 1.00 0.00 O -ATOM 1004 H1 TIP3A 335 44.092 54.793 42.909 1.00 0.00 H -ATOM 1005 H2 TIP3A 335 45.013 55.816 42.278 1.00 0.00 H -ATOM 1006 O1 TIP3A 336 24.093 52.473 49.094 1.00 0.00 O -ATOM 1007 H1 TIP3A 336 23.539 52.555 48.319 1.00 0.00 H -ATOM 1008 H2 TIP3A 336 23.771 53.148 49.692 1.00 0.00 H -ATOM 1009 O1 TIP3A 337 14.776 1.798 41.436 1.00 0.00 O -ATOM 1010 H1 TIP3A 337 14.670 2.651 41.016 1.00 0.00 H -ATOM 1011 H2 TIP3A 337 14.093 1.772 42.106 1.00 0.00 H -ATOM 1012 O1 TIP3A 338 54.085 1.813 44.787 1.00 0.00 O -ATOM 1013 H1 TIP3A 338 53.250 1.518 45.149 1.00 0.00 H -ATOM 1014 H2 TIP3A 338 53.912 2.703 44.480 1.00 0.00 H -ATOM 1015 O1 TIP3A 339 28.660 38.067 46.026 1.00 0.00 O -ATOM 1016 H1 TIP3A 339 29.065 37.884 45.179 1.00 0.00 H -ATOM 1017 H2 TIP3A 339 29.062 37.436 46.625 1.00 0.00 H -ATOM 1018 O1 TIP3A 340 14.981 44.143 11.813 1.00 0.00 O -ATOM 1019 H1 TIP3A 340 14.238 44.482 11.314 1.00 0.00 H -ATOM 1020 H2 TIP3A 340 14.680 43.297 12.146 1.00 0.00 H -ATOM 1021 O1 TIP3A 341 47.045 18.117 15.360 1.00 0.00 O -ATOM 1022 H1 TIP3A 341 46.635 17.533 14.723 1.00 0.00 H -ATOM 1023 H2 TIP3A 341 46.386 18.227 16.045 1.00 0.00 H -ATOM 1024 O1 TIP3A 342 25.742 2.546 44.307 1.00 0.00 O -ATOM 1025 H1 TIP3A 342 26.350 1.808 44.347 1.00 0.00 H -ATOM 1026 H2 TIP3A 342 25.412 2.536 43.408 1.00 0.00 H -ATOM 1027 O1 TIP3A 343 31.765 26.058 47.484 1.00 0.00 O -ATOM 1028 H1 TIP3A 343 31.535 26.950 47.745 1.00 0.00 H -ATOM 1029 H2 TIP3A 343 32.108 26.149 46.595 1.00 0.00 H -ATOM 1030 O1 TIP3A 344 3.961 54.133 50.574 1.00 0.00 O -ATOM 1031 H1 TIP3A 344 3.681 55.047 50.609 1.00 0.00 H -ATOM 1032 H2 TIP3A 344 3.373 53.678 51.177 1.00 0.00 H -ATOM 1033 O1 TIP3A 345 45.986 12.218 19.268 1.00 0.00 O -ATOM 1034 H1 TIP3A 345 45.171 12.720 19.252 1.00 0.00 H -ATOM 1035 H2 TIP3A 345 46.548 12.653 18.625 1.00 0.00 H -ATOM 1036 O1 TIP3A 346 2.466 38.983 20.243 1.00 0.00 O -ATOM 1037 H1 TIP3A 346 3.409 38.828 20.188 1.00 0.00 H -ATOM 1038 H2 TIP3A 346 2.116 38.624 19.427 1.00 0.00 H -ATOM 1039 O1 TIP3A 347 27.585 44.273 11.574 1.00 0.00 O -ATOM 1040 H1 TIP3A 347 26.946 44.985 11.553 1.00 0.00 H -ATOM 1041 H2 TIP3A 347 27.794 44.165 12.503 1.00 0.00 H -ATOM 1042 O1 TIP3A 348 22.285 29.667 57.514 1.00 0.00 O -ATOM 1043 H1 TIP3A 348 22.145 30.604 57.651 1.00 0.00 H -ATOM 1044 H2 TIP3A 348 23.102 29.616 57.017 1.00 0.00 H -ATOM 1045 O1 TIP3A 349 7.230 30.976 55.318 1.00 0.00 O -ATOM 1046 H1 TIP3A 349 6.519 31.595 55.479 1.00 0.00 H -ATOM 1047 H2 TIP3A 349 7.833 31.448 54.742 1.00 0.00 H -ATOM 1048 O1 TIP3A 350 36.733 57.853 39.113 1.00 0.00 O -ATOM 1049 H1 TIP3A 350 37.265 57.999 39.894 1.00 0.00 H -ATOM 1050 H2 TIP3A 350 35.832 58.000 39.404 1.00 0.00 H -ATOM 1051 O1 TIP3A 351 50.005 26.207 20.485 1.00 0.00 O -ATOM 1052 H1 TIP3A 351 50.442 26.974 20.118 1.00 0.00 H -ATOM 1053 H2 TIP3A 351 50.045 26.338 21.433 1.00 0.00 H -ATOM 1054 O1 TIP3A 352 14.328 33.401 8.411 1.00 0.00 O -ATOM 1055 H1 TIP3A 352 14.452 34.019 9.130 1.00 0.00 H -ATOM 1056 H2 TIP3A 352 13.382 33.384 8.269 1.00 0.00 H -ATOM 1057 O1 TIP3A 353 8.539 53.586 36.758 1.00 0.00 O -ATOM 1058 H1 TIP3A 353 9.249 54.202 36.583 1.00 0.00 H -ATOM 1059 H2 TIP3A 353 8.188 53.859 37.607 1.00 0.00 H -ATOM 1060 O1 TIP3A 354 24.553 30.624 22.457 1.00 0.00 O -ATOM 1061 H1 TIP3A 354 23.684 30.669 22.854 1.00 0.00 H -ATOM 1062 H2 TIP3A 354 24.962 29.858 22.862 1.00 0.00 H -ATOM 1063 O1 TIP3A 355 21.818 44.064 43.617 1.00 0.00 O -ATOM 1064 H1 TIP3A 355 22.533 44.614 43.300 1.00 0.00 H -ATOM 1065 H2 TIP3A 355 22.253 43.331 44.053 1.00 0.00 H -ATOM 1066 O1 TIP3A 356 46.158 33.755 37.189 1.00 0.00 O -ATOM 1067 H1 TIP3A 356 46.704 33.919 36.421 1.00 0.00 H -ATOM 1068 H2 TIP3A 356 46.739 33.912 37.934 1.00 0.00 H -ATOM 1069 O1 TIP3A 357 29.214 8.176 32.789 1.00 0.00 O -ATOM 1070 H1 TIP3A 357 29.406 7.635 32.023 1.00 0.00 H -ATOM 1071 H2 TIP3A 357 29.971 8.055 33.364 1.00 0.00 H -ATOM 1072 O1 TIP3A 358 41.122 42.463 12.863 1.00 0.00 O -ATOM 1073 H1 TIP3A 358 40.924 41.733 13.449 1.00 0.00 H -ATOM 1074 H2 TIP3A 358 40.412 42.453 12.219 1.00 0.00 H -ATOM 1075 O1 TIP3A 359 -0.003 46.434 32.851 1.00 0.00 O -ATOM 1076 H1 TIP3A 359 0.561 47.171 32.618 1.00 0.00 H -ATOM 1077 H2 TIP3A 359 0.559 45.664 32.764 1.00 0.00 H -ATOM 1078 O1 TIP3A 360 1.616 52.631 3.912 1.00 0.00 O -ATOM 1079 H1 TIP3A 360 1.579 53.269 4.624 1.00 0.00 H -ATOM 1080 H2 TIP3A 360 1.122 51.878 4.238 1.00 0.00 H -ATOM 1081 O1 TIP3A 361 7.026 36.732 40.716 1.00 0.00 O -ATOM 1082 H1 TIP3A 361 6.629 37.563 40.974 1.00 0.00 H -ATOM 1083 H2 TIP3A 361 6.375 36.071 40.953 1.00 0.00 H -ATOM 1084 O1 TIP3A 362 48.311 19.533 2.601 1.00 0.00 O -ATOM 1085 H1 TIP3A 362 48.384 18.580 2.570 1.00 0.00 H -ATOM 1086 H2 TIP3A 362 47.625 19.742 1.965 1.00 0.00 H -ATOM 1087 O1 TIP3A 363 57.116 26.104 2.549 1.00 0.00 O -ATOM 1088 H1 TIP3A 363 56.703 25.704 1.785 1.00 0.00 H -ATOM 1089 H2 TIP3A 363 58.001 25.736 2.563 1.00 0.00 H -ATOM 1090 O1 TIP3A 364 33.122 33.145 11.533 1.00 0.00 O -ATOM 1091 H1 TIP3A 364 32.614 33.821 11.085 1.00 0.00 H -ATOM 1092 H2 TIP3A 364 33.012 33.340 12.464 1.00 0.00 H -ATOM 1093 O1 TIP3A 365 20.616 3.152 23.181 1.00 0.00 O -ATOM 1094 H1 TIP3A 365 20.344 4.068 23.208 1.00 0.00 H -ATOM 1095 H2 TIP3A 365 20.915 2.963 24.071 1.00 0.00 H -ATOM 1096 O1 TIP3A 366 46.504 39.305 41.733 1.00 0.00 O -ATOM 1097 H1 TIP3A 366 45.890 38.637 41.430 1.00 0.00 H -ATOM 1098 H2 TIP3A 366 46.324 40.066 41.180 1.00 0.00 H -ATOM 1099 O1 TIP3A 367 48.385 27.545 10.466 1.00 0.00 O -ATOM 1100 H1 TIP3A 367 48.088 26.683 10.757 1.00 0.00 H -ATOM 1101 H2 TIP3A 367 48.663 27.409 9.560 1.00 0.00 H -ATOM 1102 O1 TIP3A 368 22.780 1.454 45.216 1.00 0.00 O -ATOM 1103 H1 TIP3A 368 23.000 0.532 45.346 1.00 0.00 H -ATOM 1104 H2 TIP3A 368 22.326 1.475 44.372 1.00 0.00 H -ATOM 1105 O1 TIP3A 369 18.484 15.768 37.469 1.00 0.00 O -ATOM 1106 H1 TIP3A 369 19.355 15.373 37.466 1.00 0.00 H -ATOM 1107 H2 TIP3A 369 17.928 15.126 37.025 1.00 0.00 H -ATOM 1108 O1 TIP3A 370 14.299 39.450 50.240 1.00 0.00 O -ATOM 1109 H1 TIP3A 370 15.067 39.348 50.801 1.00 0.00 H -ATOM 1110 H2 TIP3A 370 13.578 39.081 50.751 1.00 0.00 H -ATOM 1111 O1 TIP3A 371 22.380 29.239 0.725 1.00 0.00 O -ATOM 1112 H1 TIP3A 371 22.519 30.185 0.718 1.00 0.00 H -ATOM 1113 H2 TIP3A 371 21.734 29.086 0.035 1.00 0.00 H -ATOM 1114 O1 TIP3A 372 53.431 2.895 21.254 1.00 0.00 O -ATOM 1115 H1 TIP3A 372 52.610 3.372 21.372 1.00 0.00 H -ATOM 1116 H2 TIP3A 372 53.729 3.143 20.378 1.00 0.00 H -ATOM 1117 O1 TIP3A 373 5.241 37.115 3.001 1.00 0.00 O -ATOM 1118 H1 TIP3A 373 5.132 36.528 2.253 1.00 0.00 H -ATOM 1119 H2 TIP3A 373 5.816 37.810 2.679 1.00 0.00 H -ATOM 1120 O1 TIP3A 374 31.140 32.193 40.415 1.00 0.00 O -ATOM 1121 H1 TIP3A 374 30.222 31.949 40.529 1.00 0.00 H -ATOM 1122 H2 TIP3A 374 31.618 31.604 40.999 1.00 0.00 H -ATOM 1123 O1 TIP3A 375 31.513 48.766 3.083 1.00 0.00 O -ATOM 1124 H1 TIP3A 375 31.813 48.052 2.520 1.00 0.00 H -ATOM 1125 H2 TIP3A 375 30.980 48.336 3.752 1.00 0.00 H -ATOM 1126 O1 TIP3A 376 14.905 29.066 42.267 1.00 0.00 O -ATOM 1127 H1 TIP3A 376 15.326 28.748 43.065 1.00 0.00 H -ATOM 1128 H2 TIP3A 376 15.252 29.951 42.149 1.00 0.00 H -ATOM 1129 O1 TIP3A 377 46.348 8.678 7.668 1.00 0.00 O -ATOM 1130 H1 TIP3A 377 45.791 8.212 7.045 1.00 0.00 H -ATOM 1131 H2 TIP3A 377 47.046 8.057 7.878 1.00 0.00 H -ATOM 1132 O1 TIP3A 378 21.970 4.286 44.152 1.00 0.00 O -ATOM 1133 H1 TIP3A 378 21.256 3.731 43.839 1.00 0.00 H -ATOM 1134 H2 TIP3A 378 22.263 3.868 44.962 1.00 0.00 H -ATOM 1135 O1 TIP3A 379 48.212 32.145 35.535 1.00 0.00 O -ATOM 1136 H1 TIP3A 379 48.599 32.677 34.841 1.00 0.00 H -ATOM 1137 H2 TIP3A 379 48.639 32.448 36.337 1.00 0.00 H -ATOM 1138 O1 TIP3A 380 43.097 34.797 9.613 1.00 0.00 O -ATOM 1139 H1 TIP3A 380 42.243 35.079 9.287 1.00 0.00 H -ATOM 1140 H2 TIP3A 380 43.652 35.573 9.534 1.00 0.00 H -ATOM 1141 O1 TIP3A 381 4.028 37.033 34.985 1.00 0.00 O -ATOM 1142 H1 TIP3A 381 3.165 37.424 35.115 1.00 0.00 H -ATOM 1143 H2 TIP3A 381 4.555 37.735 34.602 1.00 0.00 H -ATOM 1144 O1 TIP3A 382 23.166 43.208 22.030 1.00 0.00 O -ATOM 1145 H1 TIP3A 382 22.321 42.882 21.723 1.00 0.00 H -ATOM 1146 H2 TIP3A 382 23.708 43.251 21.242 1.00 0.00 H -ATOM 1147 O1 TIP3A 383 35.813 28.245 50.608 1.00 0.00 O -ATOM 1148 H1 TIP3A 383 36.738 28.084 50.425 1.00 0.00 H -ATOM 1149 H2 TIP3A 383 35.809 29.044 51.137 1.00 0.00 H -ATOM 1150 O1 TIP3A 384 49.335 28.827 47.313 1.00 0.00 O -ATOM 1151 H1 TIP3A 384 49.288 29.703 46.932 1.00 0.00 H -ATOM 1152 H2 TIP3A 384 49.515 28.251 46.570 1.00 0.00 H -ATOM 1153 O1 TIP3A 385 28.836 10.845 16.115 1.00 0.00 O -ATOM 1154 H1 TIP3A 385 28.863 11.361 16.919 1.00 0.00 H -ATOM 1155 H2 TIP3A 385 28.470 10.001 16.382 1.00 0.00 H -ATOM 1156 O1 TIP3A 386 21.775 4.191 30.151 1.00 0.00 O -ATOM 1157 H1 TIP3A 386 22.730 4.131 30.148 1.00 0.00 H -ATOM 1158 H2 TIP3A 386 21.575 4.783 30.878 1.00 0.00 H -ATOM 1159 O1 TIP3A 387 38.561 17.864 55.170 1.00 0.00 O -ATOM 1160 H1 TIP3A 387 37.667 18.154 54.992 1.00 0.00 H -ATOM 1161 H2 TIP3A 387 39.115 18.518 54.743 1.00 0.00 H -ATOM 1162 O1 TIP3A 388 24.942 11.109 33.386 1.00 0.00 O -ATOM 1163 H1 TIP3A 388 24.141 11.265 33.884 1.00 0.00 H -ATOM 1164 H2 TIP3A 388 25.430 10.471 33.909 1.00 0.00 H -ATOM 1165 O1 TIP3A 389 24.688 53.776 1.599 1.00 0.00 O -ATOM 1166 H1 TIP3A 389 25.109 54.554 1.965 1.00 0.00 H -ATOM 1167 H2 TIP3A 389 24.105 54.116 0.920 1.00 0.00 H -ATOM 1168 O1 TIP3A 390 5.973 39.235 27.035 1.00 0.00 O -ATOM 1169 H1 TIP3A 390 5.485 38.589 26.525 1.00 0.00 H -ATOM 1170 H2 TIP3A 390 6.137 39.952 26.421 1.00 0.00 H -ATOM 1171 O1 TIP3A 391 14.079 48.647 34.829 1.00 0.00 O -ATOM 1172 H1 TIP3A 391 14.065 49.579 35.044 1.00 0.00 H -ATOM 1173 H2 TIP3A 391 15.002 48.451 34.664 1.00 0.00 H -ATOM 1174 O1 TIP3A 392 14.341 35.480 2.687 1.00 0.00 O -ATOM 1175 H1 TIP3A 392 14.544 35.253 1.780 1.00 0.00 H -ATOM 1176 H2 TIP3A 392 15.154 35.855 3.028 1.00 0.00 H -ATOM 1177 O1 TIP3A 393 55.894 34.492 27.851 1.00 0.00 O -ATOM 1178 H1 TIP3A 393 56.098 34.242 26.950 1.00 0.00 H -ATOM 1179 H2 TIP3A 393 55.179 33.909 28.106 1.00 0.00 H -ATOM 1180 O1 TIP3A 394 41.471 14.497 32.301 1.00 0.00 O -ATOM 1181 H1 TIP3A 394 41.934 15.323 32.432 1.00 0.00 H -ATOM 1182 H2 TIP3A 394 40.656 14.596 32.795 1.00 0.00 H -ATOM 1183 O1 TIP3A 395 4.847 35.270 12.159 1.00 0.00 O -ATOM 1184 H1 TIP3A 395 4.214 34.774 12.677 1.00 0.00 H -ATOM 1185 H2 TIP3A 395 4.834 36.149 12.539 1.00 0.00 H -ATOM 1186 O1 TIP3A 396 48.451 31.562 18.096 1.00 0.00 O -ATOM 1187 H1 TIP3A 396 47.731 32.064 17.716 1.00 0.00 H -ATOM 1188 H2 TIP3A 396 48.951 31.251 17.341 1.00 0.00 H -ATOM 1189 O1 TIP3A 397 40.294 23.973 35.107 1.00 0.00 O -ATOM 1190 H1 TIP3A 397 41.067 24.449 34.807 1.00 0.00 H -ATOM 1191 H2 TIP3A 397 39.626 24.159 34.446 1.00 0.00 H -ATOM 1192 O1 TIP3A 398 18.302 31.899 34.262 1.00 0.00 O -ATOM 1193 H1 TIP3A 398 17.573 32.460 34.527 1.00 0.00 H -ATOM 1194 H2 TIP3A 398 19.044 32.208 34.782 1.00 0.00 H -ATOM 1195 O1 TIP3A 399 41.359 18.354 24.169 1.00 0.00 O -ATOM 1196 H1 TIP3A 399 41.947 18.973 23.738 1.00 0.00 H -ATOM 1197 H2 TIP3A 399 41.332 18.643 25.082 1.00 0.00 H -ATOM 1198 O1 TIP3A 400 5.745 52.505 21.313 1.00 0.00 O -ATOM 1199 H1 TIP3A 400 6.164 51.757 20.889 1.00 0.00 H -ATOM 1200 H2 TIP3A 400 6.205 52.597 22.148 1.00 0.00 H -ATOM 1201 O1 TIP3A 401 17.950 5.747 54.343 1.00 0.00 O -ATOM 1202 H1 TIP3A 401 18.060 5.539 53.416 1.00 0.00 H -ATOM 1203 H2 TIP3A 401 17.683 4.920 54.745 1.00 0.00 H -ATOM 1204 O1 TIP3A 402 45.992 46.047 55.760 1.00 0.00 O -ATOM 1205 H1 TIP3A 402 45.874 45.111 55.919 1.00 0.00 H -ATOM 1206 H2 TIP3A 402 46.941 46.173 55.764 1.00 0.00 H -ATOM 1207 O1 TIP3A 403 30.242 8.044 20.444 1.00 0.00 O -ATOM 1208 H1 TIP3A 403 30.567 8.380 21.278 1.00 0.00 H -ATOM 1209 H2 TIP3A 403 30.605 8.640 19.788 1.00 0.00 H -ATOM 1210 O1 TIP3A 404 57.089 14.756 0.091 1.00 0.00 O -ATOM 1211 H1 TIP3A 404 58.029 14.901 -0.010 1.00 0.00 H -ATOM 1212 H2 TIP3A 404 56.982 13.807 0.008 1.00 0.00 H -ATOM 1213 O1 TIP3A 405 31.651 17.399 4.374 1.00 0.00 O -ATOM 1214 H1 TIP3A 405 31.436 18.192 3.883 1.00 0.00 H -ATOM 1215 H2 TIP3A 405 31.170 17.489 5.198 1.00 0.00 H -ATOM 1216 O1 TIP3A 406 3.895 57.310 48.817 1.00 0.00 O -ATOM 1217 H1 TIP3A 406 3.321 58.002 48.492 1.00 0.00 H -ATOM 1218 H2 TIP3A 406 4.063 56.758 48.053 1.00 0.00 H -ATOM 1219 O1 TIP3A 407 3.567 24.256 2.691 1.00 0.00 O -ATOM 1220 H1 TIP3A 407 3.429 24.293 3.637 1.00 0.00 H -ATOM 1221 H2 TIP3A 407 4.502 24.425 2.578 1.00 0.00 H -ATOM 1222 O1 TIP3A 408 44.313 5.890 46.117 1.00 0.00 O -ATOM 1223 H1 TIP3A 408 43.541 5.777 46.670 1.00 0.00 H -ATOM 1224 H2 TIP3A 408 44.000 6.400 45.369 1.00 0.00 H -ATOM 1225 O1 TIP3A 409 2.690 34.185 37.704 1.00 0.00 O -ATOM 1226 H1 TIP3A 409 2.881 33.897 36.812 1.00 0.00 H -ATOM 1227 H2 TIP3A 409 2.171 33.474 38.081 1.00 0.00 H -ATOM 1228 O1 TIP3A 410 39.322 16.539 27.490 1.00 0.00 O -ATOM 1229 H1 TIP3A 410 39.802 17.364 27.417 1.00 0.00 H -ATOM 1230 H2 TIP3A 410 39.736 15.963 26.847 1.00 0.00 H -ATOM 1231 O1 TIP3A 411 8.736 19.278 41.632 1.00 0.00 O -ATOM 1232 H1 TIP3A 411 8.100 19.893 41.996 1.00 0.00 H -ATOM 1233 H2 TIP3A 411 9.194 19.778 40.956 1.00 0.00 H -ATOM 1234 O1 TIP3A 412 45.212 26.357 52.800 1.00 0.00 O -ATOM 1235 H1 TIP3A 412 45.917 25.999 53.338 1.00 0.00 H -ATOM 1236 H2 TIP3A 412 45.641 27.012 52.248 1.00 0.00 H -ATOM 1237 O1 TIP3A 413 29.337 21.794 23.244 1.00 0.00 O -ATOM 1238 H1 TIP3A 413 28.689 21.264 22.780 1.00 0.00 H -ATOM 1239 H2 TIP3A 413 28.927 22.655 23.328 1.00 0.00 H -ATOM 1240 O1 TIP3A 414 25.866 36.614 30.485 1.00 0.00 O -ATOM 1241 H1 TIP3A 414 24.933 36.680 30.686 1.00 0.00 H -ATOM 1242 H2 TIP3A 414 25.993 37.202 29.739 1.00 0.00 H -ATOM 1243 O1 TIP3A 415 34.759 10.564 12.447 1.00 0.00 O -ATOM 1244 H1 TIP3A 415 34.219 9.779 12.367 1.00 0.00 H -ATOM 1245 H2 TIP3A 415 34.432 11.152 11.765 1.00 0.00 H -ATOM 1246 O1 TIP3A 416 7.164 21.121 35.451 1.00 0.00 O -ATOM 1247 H1 TIP3A 416 7.931 21.686 35.365 1.00 0.00 H -ATOM 1248 H2 TIP3A 416 6.620 21.553 36.111 1.00 0.00 H -ATOM 1249 O1 TIP3A 417 43.482 2.714 41.343 1.00 0.00 O -ATOM 1250 H1 TIP3A 417 44.371 2.362 41.317 1.00 0.00 H -ATOM 1251 H2 TIP3A 417 43.568 3.546 41.810 1.00 0.00 H -ATOM 1252 O1 TIP3A 418 4.928 12.206 16.594 1.00 0.00 O -ATOM 1253 H1 TIP3A 418 5.778 11.823 16.382 1.00 0.00 H -ATOM 1254 H2 TIP3A 418 4.310 11.753 16.018 1.00 0.00 H -ATOM 1255 O1 TIP3A 419 14.427 42.745 6.269 1.00 0.00 O -ATOM 1256 H1 TIP3A 419 14.991 42.079 5.878 1.00 0.00 H -ATOM 1257 H2 TIP3A 419 13.633 42.733 5.733 1.00 0.00 H -ATOM 1258 O1 TIP3A 420 2.329 28.481 14.944 1.00 0.00 O -ATOM 1259 H1 TIP3A 420 2.106 27.554 14.873 1.00 0.00 H -ATOM 1260 H2 TIP3A 420 1.656 28.847 15.519 1.00 0.00 H -ATOM 1261 O1 TIP3A 421 38.698 6.437 12.908 1.00 0.00 O -ATOM 1262 H1 TIP3A 421 38.187 6.124 13.653 1.00 0.00 H -ATOM 1263 H2 TIP3A 421 39.557 6.028 13.017 1.00 0.00 H -ATOM 1264 O1 TIP3A 422 45.325 35.382 42.594 1.00 0.00 O -ATOM 1265 H1 TIP3A 422 45.523 34.512 42.248 1.00 0.00 H -ATOM 1266 H2 TIP3A 422 46.156 35.693 42.953 1.00 0.00 H -ATOM 1267 O1 TIP3A 423 29.123 5.294 22.788 1.00 0.00 O -ATOM 1268 H1 TIP3A 423 29.070 4.376 23.053 1.00 0.00 H -ATOM 1269 H2 TIP3A 423 28.695 5.323 21.932 1.00 0.00 H -ATOM 1270 O1 TIP3A 424 10.524 22.517 46.660 1.00 0.00 O -ATOM 1271 H1 TIP3A 424 9.576 22.395 46.644 1.00 0.00 H -ATOM 1272 H2 TIP3A 424 10.875 21.728 46.247 1.00 0.00 H -ATOM 1273 O1 TIP3A 425 9.226 17.734 25.108 1.00 0.00 O -ATOM 1274 H1 TIP3A 425 9.507 18.507 25.597 1.00 0.00 H -ATOM 1275 H2 TIP3A 425 9.539 17.887 24.216 1.00 0.00 H -ATOM 1276 O1 TIP3A 426 15.032 51.978 30.858 1.00 0.00 O -ATOM 1277 H1 TIP3A 426 14.465 51.238 31.072 1.00 0.00 H -ATOM 1278 H2 TIP3A 426 15.636 52.040 31.598 1.00 0.00 H -ATOM 1279 O1 TIP3A 427 3.000 14.271 36.331 1.00 0.00 O -ATOM 1280 H1 TIP3A 427 2.227 14.733 36.653 1.00 0.00 H -ATOM 1281 H2 TIP3A 427 2.736 13.352 36.299 1.00 0.00 H -ATOM 1282 O1 TIP3A 428 19.507 3.874 53.798 1.00 0.00 O -ATOM 1283 H1 TIP3A 428 20.442 3.689 53.882 1.00 0.00 H -ATOM 1284 H2 TIP3A 428 19.134 3.069 53.437 1.00 0.00 H -ATOM 1285 O1 TIP3A 429 41.863 16.909 53.238 1.00 0.00 O -ATOM 1286 H1 TIP3A 429 41.981 17.229 52.345 1.00 0.00 H -ATOM 1287 H2 TIP3A 429 40.914 16.829 53.340 1.00 0.00 H -ATOM 1288 O1 TIP3A 430 33.690 54.839 45.349 1.00 0.00 O -ATOM 1289 H1 TIP3A 430 32.757 54.675 45.484 1.00 0.00 H -ATOM 1290 H2 TIP3A 430 34.130 54.179 45.883 1.00 0.00 H -ATOM 1291 O1 TIP3A 431 33.209 44.171 31.276 1.00 0.00 O -ATOM 1292 H1 TIP3A 431 32.629 43.881 30.573 1.00 0.00 H -ATOM 1293 H2 TIP3A 431 33.474 43.364 31.717 1.00 0.00 H -ATOM 1294 O1 TIP3A 432 3.839 28.126 49.157 1.00 0.00 O -ATOM 1295 H1 TIP3A 432 2.887 28.029 49.153 1.00 0.00 H -ATOM 1296 H2 TIP3A 432 3.997 28.912 49.681 1.00 0.00 H -ATOM 1297 O1 TIP3A 433 18.098 40.423 11.436 1.00 0.00 O -ATOM 1298 H1 TIP3A 433 18.105 39.498 11.679 1.00 0.00 H -ATOM 1299 H2 TIP3A 433 18.888 40.784 11.838 1.00 0.00 H -ATOM 1300 O1 TIP3A 434 16.396 48.896 36.799 1.00 0.00 O -ATOM 1301 H1 TIP3A 434 15.441 48.958 36.785 1.00 0.00 H -ATOM 1302 H2 TIP3A 434 16.695 49.806 36.811 1.00 0.00 H -ATOM 1303 O1 TIP3A 435 35.874 26.437 27.483 1.00 0.00 O -ATOM 1304 H1 TIP3A 435 36.581 27.028 27.740 1.00 0.00 H -ATOM 1305 H2 TIP3A 435 36.234 25.936 26.750 1.00 0.00 H -ATOM 1306 O1 TIP3A 436 16.175 21.237 53.971 1.00 0.00 O -ATOM 1307 H1 TIP3A 436 16.931 20.652 54.012 1.00 0.00 H -ATOM 1308 H2 TIP3A 436 16.356 21.909 54.629 1.00 0.00 H -ATOM 1309 O1 TIP3A 437 35.277 49.779 4.115 1.00 0.00 O -ATOM 1310 H1 TIP3A 437 34.807 49.406 4.860 1.00 0.00 H -ATOM 1311 H2 TIP3A 437 36.124 50.045 4.473 1.00 0.00 H -ATOM 1312 O1 TIP3A 438 13.816 46.671 28.715 1.00 0.00 O -ATOM 1313 H1 TIP3A 438 13.226 45.918 28.723 1.00 0.00 H -ATOM 1314 H2 TIP3A 438 14.507 46.441 29.336 1.00 0.00 H -ATOM 1315 O1 TIP3A 439 31.877 1.970 21.799 1.00 0.00 O -ATOM 1316 H1 TIP3A 439 32.161 2.033 20.888 1.00 0.00 H -ATOM 1317 H2 TIP3A 439 32.154 2.797 22.195 1.00 0.00 H -ATOM 1318 O1 TIP3A 440 46.053 13.573 48.341 1.00 0.00 O -ATOM 1319 H1 TIP3A 440 45.323 13.959 47.858 1.00 0.00 H -ATOM 1320 H2 TIP3A 440 46.481 14.318 48.764 1.00 0.00 H -ATOM 1321 O1 TIP3A 441 47.770 4.900 3.216 1.00 0.00 O -ATOM 1322 H1 TIP3A 441 48.385 4.215 3.475 1.00 0.00 H -ATOM 1323 H2 TIP3A 441 47.079 4.436 2.742 1.00 0.00 H -ATOM 1324 O1 TIP3A 442 56.822 30.589 48.925 1.00 0.00 O -ATOM 1325 H1 TIP3A 442 56.538 31.461 48.652 1.00 0.00 H -ATOM 1326 H2 TIP3A 442 56.376 30.442 49.760 1.00 0.00 H -ATOM 1327 O1 TIP3A 443 29.377 45.633 45.187 1.00 0.00 O -ATOM 1328 H1 TIP3A 443 29.654 46.523 45.403 1.00 0.00 H -ATOM 1329 H2 TIP3A 443 30.087 45.283 44.649 1.00 0.00 H -ATOM 1330 O1 TIP3A 444 32.647 24.570 11.004 1.00 0.00 O -ATOM 1331 H1 TIP3A 444 32.707 23.630 10.838 1.00 0.00 H -ATOM 1332 H2 TIP3A 444 33.349 24.749 11.630 1.00 0.00 H -ATOM 1333 O1 TIP3A 445 24.544 18.180 19.831 1.00 0.00 O -ATOM 1334 H1 TIP3A 445 24.749 17.448 19.250 1.00 0.00 H -ATOM 1335 H2 TIP3A 445 25.089 18.032 20.605 1.00 0.00 H -ATOM 1336 O1 TIP3A 446 18.591 4.841 4.227 1.00 0.00 O -ATOM 1337 H1 TIP3A 446 19.277 4.847 3.560 1.00 0.00 H -ATOM 1338 H2 TIP3A 446 17.840 4.434 3.795 1.00 0.00 H -ATOM 1339 O1 TIP3A 447 27.794 18.118 26.490 1.00 0.00 O -ATOM 1340 H1 TIP3A 447 28.311 17.357 26.754 1.00 0.00 H -ATOM 1341 H2 TIP3A 447 27.094 18.171 27.141 1.00 0.00 H -ATOM 1342 O1 TIP3A 448 7.307 40.396 56.611 1.00 0.00 O -ATOM 1343 H1 TIP3A 448 8.088 40.352 56.060 1.00 0.00 H -ATOM 1344 H2 TIP3A 448 6.833 39.586 56.421 1.00 0.00 H -ATOM 1345 O1 TIP3A 449 48.030 49.909 1.840 1.00 0.00 O -ATOM 1346 H1 TIP3A 449 47.623 49.057 1.990 1.00 0.00 H -ATOM 1347 H2 TIP3A 449 47.427 50.363 1.251 1.00 0.00 H -ATOM 1348 O1 TIP3A 450 51.400 17.184 33.372 1.00 0.00 O -ATOM 1349 H1 TIP3A 450 51.201 16.264 33.546 1.00 0.00 H -ATOM 1350 H2 TIP3A 450 52.349 17.249 33.488 1.00 0.00 H -ATOM 1351 O1 TIP3A 451 43.791 52.660 41.577 1.00 0.00 O -ATOM 1352 H1 TIP3A 451 43.462 51.882 41.128 1.00 0.00 H -ATOM 1353 H2 TIP3A 451 43.003 53.140 41.832 1.00 0.00 H -ATOM 1354 O1 TIP3A 452 12.391 18.633 35.153 1.00 0.00 O -ATOM 1355 H1 TIP3A 452 12.917 18.755 35.942 1.00 0.00 H -ATOM 1356 H2 TIP3A 452 12.214 17.692 35.126 1.00 0.00 H -ATOM 1357 O1 TIP3A 453 19.944 39.426 34.443 1.00 0.00 O -ATOM 1358 H1 TIP3A 453 20.069 38.992 33.600 1.00 0.00 H -ATOM 1359 H2 TIP3A 453 20.488 40.212 34.391 1.00 0.00 H -ATOM 1360 O1 TIP3A 454 38.368 57.510 11.365 1.00 0.00 O -ATOM 1361 H1 TIP3A 454 39.186 58.000 11.285 1.00 0.00 H -ATOM 1362 H2 TIP3A 454 37.861 57.993 12.018 1.00 0.00 H -ATOM 1363 O1 TIP3A 455 26.666 53.515 27.432 1.00 0.00 O -ATOM 1364 H1 TIP3A 455 27.314 54.148 27.739 1.00 0.00 H -ATOM 1365 H2 TIP3A 455 27.182 52.828 27.009 1.00 0.00 H -ATOM 1366 O1 TIP3A 456 10.400 52.239 33.642 1.00 0.00 O -ATOM 1367 H1 TIP3A 456 9.606 51.706 33.638 1.00 0.00 H -ATOM 1368 H2 TIP3A 456 10.607 52.369 32.716 1.00 0.00 H -ATOM 1369 O1 TIP3A 457 14.177 1.268 26.566 1.00 0.00 O -ATOM 1370 H1 TIP3A 457 13.952 0.529 27.129 1.00 0.00 H -ATOM 1371 H2 TIP3A 457 14.963 1.644 26.965 1.00 0.00 H -ATOM 1372 O1 TIP3A 458 18.762 0.231 28.408 1.00 0.00 O -ATOM 1373 H1 TIP3A 458 18.658 0.121 29.353 1.00 0.00 H -ATOM 1374 H2 TIP3A 458 19.690 0.057 28.247 1.00 0.00 H -ATOM 1375 O1 TIP3A 459 52.050 46.674 18.119 1.00 0.00 O -ATOM 1376 H1 TIP3A 459 51.118 46.771 18.314 1.00 0.00 H -ATOM 1377 H2 TIP3A 459 52.112 46.805 17.172 1.00 0.00 H -ATOM 1378 O1 TIP3A 460 3.470 32.403 2.466 1.00 0.00 O -ATOM 1379 H1 TIP3A 460 3.051 33.067 3.013 1.00 0.00 H -ATOM 1380 H2 TIP3A 460 2.824 32.211 1.785 1.00 0.00 H -ATOM 1381 O1 TIP3A 461 18.560 12.568 46.853 1.00 0.00 O -ATOM 1382 H1 TIP3A 461 18.240 11.858 47.408 1.00 0.00 H -ATOM 1383 H2 TIP3A 461 17.819 12.781 46.285 1.00 0.00 H -ATOM 1384 O1 TIP3A 462 48.387 29.867 15.333 1.00 0.00 O -ATOM 1385 H1 TIP3A 462 48.903 29.075 15.476 1.00 0.00 H -ATOM 1386 H2 TIP3A 462 48.000 29.748 14.465 1.00 0.00 H -ATOM 1387 O1 TIP3A 463 18.628 56.969 27.814 1.00 0.00 O -ATOM 1388 H1 TIP3A 463 18.909 56.949 26.900 1.00 0.00 H -ATOM 1389 H2 TIP3A 463 18.543 56.048 28.060 1.00 0.00 H -ATOM 1390 O1 TIP3A 464 54.106 54.072 21.620 1.00 0.00 O -ATOM 1391 H1 TIP3A 464 53.466 54.471 22.207 1.00 0.00 H -ATOM 1392 H2 TIP3A 464 54.368 54.782 21.033 1.00 0.00 H -ATOM 1393 O1 TIP3A 465 55.024 37.256 52.740 1.00 0.00 O -ATOM 1394 H1 TIP3A 465 54.405 37.982 52.812 1.00 0.00 H -ATOM 1395 H2 TIP3A 465 55.516 37.439 51.938 1.00 0.00 H -ATOM 1396 O1 TIP3A 466 7.977 30.576 2.006 1.00 0.00 O -ATOM 1397 H1 TIP3A 466 7.706 31.493 2.022 1.00 0.00 H -ATOM 1398 H2 TIP3A 466 7.411 30.146 2.648 1.00 0.00 H -ATOM 1399 O1 TIP3A 467 22.687 46.332 41.566 1.00 0.00 O -ATOM 1400 H1 TIP3A 467 23.533 46.156 41.977 1.00 0.00 H -ATOM 1401 H2 TIP3A 467 22.165 46.741 42.256 1.00 0.00 H -ATOM 1402 O1 TIP3A 468 9.633 19.129 8.753 1.00 0.00 O -ATOM 1403 H1 TIP3A 468 10.275 19.715 8.356 1.00 0.00 H -ATOM 1404 H2 TIP3A 468 9.055 18.880 8.031 1.00 0.00 H -ATOM 1405 O1 TIP3A 469 34.725 1.047 57.041 1.00 0.00 O -ATOM 1406 H1 TIP3A 469 35.616 1.154 56.710 1.00 0.00 H -ATOM 1407 H2 TIP3A 469 34.474 0.162 56.775 1.00 0.00 H -ATOM 1408 O1 TIP3A 470 49.421 14.235 5.040 1.00 0.00 O -ATOM 1409 H1 TIP3A 470 49.999 14.996 5.002 1.00 0.00 H -ATOM 1410 H2 TIP3A 470 49.823 13.598 4.447 1.00 0.00 H -ATOM 1411 O1 TIP3A 471 2.867 32.682 44.764 1.00 0.00 O -ATOM 1412 H1 TIP3A 471 3.179 31.778 44.764 1.00 0.00 H -ATOM 1413 H2 TIP3A 471 2.080 32.665 44.219 1.00 0.00 H -ATOM 1414 O1 TIP3A 472 33.871 2.630 39.083 1.00 0.00 O -ATOM 1415 H1 TIP3A 472 33.875 3.583 39.164 1.00 0.00 H -ATOM 1416 H2 TIP3A 472 33.043 2.358 39.480 1.00 0.00 H -ATOM 1417 O1 TIP3A 473 46.595 19.038 12.636 1.00 0.00 O -ATOM 1418 H1 TIP3A 473 45.711 19.399 12.582 1.00 0.00 H -ATOM 1419 H2 TIP3A 473 47.108 19.567 12.024 1.00 0.00 H -ATOM 1420 O1 TIP3A 474 48.541 28.674 22.412 1.00 0.00 O -ATOM 1421 H1 TIP3A 474 47.788 29.206 22.664 1.00 0.00 H -ATOM 1422 H2 TIP3A 474 48.515 27.924 23.007 1.00 0.00 H -ATOM 1423 O1 TIP3A 475 36.261 53.858 4.415 1.00 0.00 O -ATOM 1424 H1 TIP3A 475 35.337 53.773 4.181 1.00 0.00 H -ATOM 1425 H2 TIP3A 475 36.355 53.342 5.216 1.00 0.00 H -ATOM 1426 O1 TIP3A 476 5.413 51.834 5.610 1.00 0.00 O -ATOM 1427 H1 TIP3A 476 5.373 51.410 4.753 1.00 0.00 H -ATOM 1428 H2 TIP3A 476 5.495 51.110 6.232 1.00 0.00 H -ATOM 1429 O1 TIP3A 477 38.431 10.527 17.927 1.00 0.00 O -ATOM 1430 H1 TIP3A 477 38.578 11.243 17.310 1.00 0.00 H -ATOM 1431 H2 TIP3A 477 37.861 10.903 18.599 1.00 0.00 H -ATOM 1432 O1 TIP3A 478 16.111 44.818 21.471 1.00 0.00 O -ATOM 1433 H1 TIP3A 478 16.596 43.996 21.530 1.00 0.00 H -ATOM 1434 H2 TIP3A 478 16.670 45.459 21.912 1.00 0.00 H -ATOM 1435 O1 TIP3A 479 2.947 19.659 47.057 1.00 0.00 O -ATOM 1436 H1 TIP3A 479 3.904 19.675 47.064 1.00 0.00 H -ATOM 1437 H2 TIP3A 479 2.723 18.985 46.415 1.00 0.00 H -ATOM 1438 O1 TIP3A 480 22.836 37.484 40.906 1.00 0.00 O -ATOM 1439 H1 TIP3A 480 22.855 37.971 41.729 1.00 0.00 H -ATOM 1440 H2 TIP3A 480 22.988 36.573 41.163 1.00 0.00 H -ATOM 1441 O1 TIP3A 481 51.635 6.672 20.421 1.00 0.00 O -ATOM 1442 H1 TIP3A 481 52.494 6.614 20.838 1.00 0.00 H -ATOM 1443 H2 TIP3A 481 51.781 7.215 19.646 1.00 0.00 H -ATOM 1444 O1 TIP3A 482 6.165 30.544 27.989 1.00 0.00 O -ATOM 1445 H1 TIP3A 482 6.797 30.206 27.356 1.00 0.00 H -ATOM 1446 H2 TIP3A 482 6.111 29.863 28.661 1.00 0.00 H -ATOM 1447 O1 TIP3A 483 13.206 54.348 31.766 1.00 0.00 O -ATOM 1448 H1 TIP3A 483 13.034 53.606 31.187 1.00 0.00 H -ATOM 1449 H2 TIP3A 483 14.115 54.230 32.042 1.00 0.00 H -ATOM 1450 O1 TIP3A 484 36.224 13.932 23.490 1.00 0.00 O -ATOM 1451 H1 TIP3A 484 36.753 14.156 24.254 1.00 0.00 H -ATOM 1452 H2 TIP3A 484 35.802 14.754 23.240 1.00 0.00 H -ATOM 1453 O1 TIP3A 485 56.480 53.148 56.753 1.00 0.00 O -ATOM 1454 H1 TIP3A 485 56.919 52.476 57.273 1.00 0.00 H -ATOM 1455 H2 TIP3A 485 55.635 52.759 56.522 1.00 0.00 H -ATOM 1456 O1 TIP3A 486 12.649 1.398 55.001 1.00 0.00 O -ATOM 1457 H1 TIP3A 486 12.966 2.107 55.558 1.00 0.00 H -ATOM 1458 H2 TIP3A 486 13.156 1.482 54.193 1.00 0.00 H -ATOM 1459 O1 TIP3A 487 9.535 33.641 47.994 1.00 0.00 O -ATOM 1460 H1 TIP3A 487 9.725 33.346 47.104 1.00 0.00 H -ATOM 1461 H2 TIP3A 487 10.327 34.103 48.269 1.00 0.00 H -ATOM 1462 O1 TIP3A 488 33.574 34.632 1.752 1.00 0.00 O -ATOM 1463 H1 TIP3A 488 33.116 33.831 1.495 1.00 0.00 H -ATOM 1464 H2 TIP3A 488 33.066 35.338 1.351 1.00 0.00 H -ATOM 1465 O1 TIP3A 489 57.310 4.580 34.675 1.00 0.00 O -ATOM 1466 H1 TIP3A 489 56.354 4.595 34.652 1.00 0.00 H -ATOM 1467 H2 TIP3A 489 57.577 5.033 33.874 1.00 0.00 H -ATOM 1468 O1 TIP3A 490 15.159 57.525 43.607 1.00 0.00 O -ATOM 1469 H1 TIP3A 490 15.953 58.059 43.615 1.00 0.00 H -ATOM 1470 H2 TIP3A 490 15.249 56.973 42.829 1.00 0.00 H -ATOM 1471 O1 TIP3A 491 45.721 19.613 10.253 1.00 0.00 O -ATOM 1472 H1 TIP3A 491 44.853 19.567 9.853 1.00 0.00 H -ATOM 1473 H2 TIP3A 491 46.046 20.483 10.021 1.00 0.00 H -ATOM 1474 O1 TIP3A 492 25.462 49.516 57.369 1.00 0.00 O -ATOM 1475 H1 TIP3A 492 25.423 49.688 56.429 1.00 0.00 H -ATOM 1476 H2 TIP3A 492 26.258 48.997 57.486 1.00 0.00 H -ATOM 1477 O1 TIP3A 493 28.410 28.220 52.166 1.00 0.00 O -ATOM 1478 H1 TIP3A 493 28.853 27.385 52.312 1.00 0.00 H -ATOM 1479 H2 TIP3A 493 27.806 28.049 51.443 1.00 0.00 H -ATOM 1480 O1 TIP3A 494 8.442 20.052 0.657 1.00 0.00 O -ATOM 1481 H1 TIP3A 494 8.716 20.223 1.557 1.00 0.00 H -ATOM 1482 H2 TIP3A 494 8.611 19.118 0.528 1.00 0.00 H -ATOM 1483 O1 TIP3A 495 47.569 14.664 44.430 1.00 0.00 O -ATOM 1484 H1 TIP3A 495 47.298 13.802 44.118 1.00 0.00 H -ATOM 1485 H2 TIP3A 495 46.817 14.987 44.928 1.00 0.00 H -ATOM 1486 O1 TIP3A 496 54.610 55.574 15.204 1.00 0.00 O -ATOM 1487 H1 TIP3A 496 53.930 55.032 14.805 1.00 0.00 H -ATOM 1488 H2 TIP3A 496 54.959 55.036 15.915 1.00 0.00 H -ATOM 1489 O1 TIP3A 497 50.765 42.687 46.663 1.00 0.00 O -ATOM 1490 H1 TIP3A 497 50.791 43.640 46.744 1.00 0.00 H -ATOM 1491 H2 TIP3A 497 50.078 42.413 47.272 1.00 0.00 H -ATOM 1492 O1 TIP3A 498 31.566 29.876 37.624 1.00 0.00 O -ATOM 1493 H1 TIP3A 498 31.853 30.788 37.590 1.00 0.00 H -ATOM 1494 H2 TIP3A 498 30.837 29.877 38.246 1.00 0.00 H -ATOM 1495 O1 TIP3A 499 47.331 43.146 12.598 1.00 0.00 O -ATOM 1496 H1 TIP3A 499 47.032 44.049 12.706 1.00 0.00 H -ATOM 1497 H2 TIP3A 499 48.287 43.207 12.603 1.00 0.00 H -ATOM 1498 O1 TIP3A 500 25.576 18.421 57.260 1.00 0.00 O -ATOM 1499 H1 TIP3A 500 24.627 18.452 57.149 1.00 0.00 H -ATOM 1500 H2 TIP3A 500 25.714 17.804 57.979 1.00 0.00 H -ATOM 1501 O1 TIP3A 501 10.480 19.329 43.579 1.00 0.00 O -ATOM 1502 H1 TIP3A 501 10.781 19.426 42.676 1.00 0.00 H -ATOM 1503 H2 TIP3A 501 9.739 18.725 43.522 1.00 0.00 H -ATOM 1504 O1 TIP3A 502 34.798 17.208 20.791 1.00 0.00 O -ATOM 1505 H1 TIP3A 502 34.628 16.298 20.552 1.00 0.00 H -ATOM 1506 H2 TIP3A 502 35.148 17.605 19.992 1.00 0.00 H -ATOM 1507 O1 TIP3A 503 23.273 55.994 36.937 1.00 0.00 O -ATOM 1508 H1 TIP3A 503 23.917 56.378 36.343 1.00 0.00 H -ATOM 1509 H2 TIP3A 503 22.936 55.232 36.465 1.00 0.00 H -ATOM 1510 O1 TIP3A 504 48.249 41.660 17.445 1.00 0.00 O -ATOM 1511 H1 TIP3A 504 48.396 40.715 17.412 1.00 0.00 H -ATOM 1512 H2 TIP3A 504 49.096 42.026 17.703 1.00 0.00 H -ATOM 1513 O1 TIP3A 505 41.422 25.721 13.612 1.00 0.00 O -ATOM 1514 H1 TIP3A 505 40.704 25.118 13.803 1.00 0.00 H -ATOM 1515 H2 TIP3A 505 42.136 25.432 14.180 1.00 0.00 H -ATOM 1516 O1 TIP3A 506 46.768 9.255 54.534 1.00 0.00 O -ATOM 1517 H1 TIP3A 506 47.582 9.574 54.145 1.00 0.00 H -ATOM 1518 H2 TIP3A 506 46.466 8.572 53.935 1.00 0.00 H -ATOM 1519 O1 TIP3A 507 33.387 27.099 18.561 1.00 0.00 O -ATOM 1520 H1 TIP3A 507 32.542 27.405 18.235 1.00 0.00 H -ATOM 1521 H2 TIP3A 507 34.032 27.641 18.105 1.00 0.00 H -ATOM 1522 O1 TIP3A 508 44.841 8.847 57.522 1.00 0.00 O -ATOM 1523 H1 TIP3A 508 44.172 8.327 57.966 1.00 0.00 H -ATOM 1524 H2 TIP3A 508 44.571 8.852 56.603 1.00 0.00 H -ATOM 1525 O1 TIP3A 509 39.248 55.403 6.329 1.00 0.00 O -ATOM 1526 H1 TIP3A 509 39.738 55.556 7.136 1.00 0.00 H -ATOM 1527 H2 TIP3A 509 38.760 54.596 6.494 1.00 0.00 H -ATOM 1528 O1 TIP3A 510 25.696 41.971 54.065 1.00 0.00 O -ATOM 1529 H1 TIP3A 510 25.871 42.892 53.875 1.00 0.00 H -ATOM 1530 H2 TIP3A 510 24.749 41.878 53.952 1.00 0.00 H -ATOM 1531 O1 TIP3A 511 55.785 5.318 9.984 1.00 0.00 O -ATOM 1532 H1 TIP3A 511 56.196 6.180 10.044 1.00 0.00 H -ATOM 1533 H2 TIP3A 511 55.311 5.335 9.152 1.00 0.00 H -ATOM 1534 O1 TIP3A 512 48.250 22.562 54.703 1.00 0.00 O -ATOM 1535 H1 TIP3A 512 48.715 22.419 53.880 1.00 0.00 H -ATOM 1536 H2 TIP3A 512 47.472 23.064 54.455 1.00 0.00 H -ATOM 1537 O1 TIP3A 513 29.943 44.812 17.702 1.00 0.00 O -ATOM 1538 H1 TIP3A 513 30.075 45.623 18.192 1.00 0.00 H -ATOM 1539 H2 TIP3A 513 30.018 44.119 18.359 1.00 0.00 H -ATOM 1540 O1 TIP3A 514 18.145 37.523 6.016 1.00 0.00 O -ATOM 1541 H1 TIP3A 514 17.764 36.912 5.386 1.00 0.00 H -ATOM 1542 H2 TIP3A 514 17.841 38.385 5.729 1.00 0.00 H -ATOM 1543 O1 TIP3A 515 14.312 46.862 52.992 1.00 0.00 O -ATOM 1544 H1 TIP3A 515 14.346 47.778 53.266 1.00 0.00 H -ATOM 1545 H2 TIP3A 515 14.935 46.805 52.267 1.00 0.00 H -ATOM 1546 O1 TIP3A 516 25.101 32.432 50.266 1.00 0.00 O -ATOM 1547 H1 TIP3A 516 25.099 33.386 50.210 1.00 0.00 H -ATOM 1548 H2 TIP3A 516 25.789 32.157 49.659 1.00 0.00 H -ATOM 1549 O1 TIP3A 517 33.681 45.221 55.789 1.00 0.00 O -ATOM 1550 H1 TIP3A 517 33.024 45.769 56.217 1.00 0.00 H -ATOM 1551 H2 TIP3A 517 34.166 45.823 55.225 1.00 0.00 H -ATOM 1552 O1 TIP3A 518 7.609 4.923 31.217 1.00 0.00 O -ATOM 1553 H1 TIP3A 518 7.739 4.418 30.414 1.00 0.00 H -ATOM 1554 H2 TIP3A 518 7.594 5.835 30.927 1.00 0.00 H -ATOM 1555 O1 TIP3A 519 43.546 0.843 28.860 1.00 0.00 O -ATOM 1556 H1 TIP3A 519 42.647 1.127 29.016 1.00 0.00 H -ATOM 1557 H2 TIP3A 519 43.611 -0.002 29.306 1.00 0.00 H -ATOM 1558 O1 TIP3A 520 17.997 7.922 53.296 1.00 0.00 O -ATOM 1559 H1 TIP3A 520 17.173 7.775 52.834 1.00 0.00 H -ATOM 1560 H2 TIP3A 520 18.470 8.550 52.750 1.00 0.00 H -ATOM 1561 O1 TIP3A 521 7.896 9.882 48.807 1.00 0.00 O -ATOM 1562 H1 TIP3A 521 7.656 9.262 49.494 1.00 0.00 H -ATOM 1563 H2 TIP3A 521 8.283 9.341 48.118 1.00 0.00 H -ATOM 1564 O1 TIP3A 522 33.371 50.890 7.859 1.00 0.00 O -ATOM 1565 H1 TIP3A 522 33.345 51.553 7.170 1.00 0.00 H -ATOM 1566 H2 TIP3A 522 32.652 51.125 8.446 1.00 0.00 H -ATOM 1567 O1 TIP3A 523 44.290 3.052 39.229 1.00 0.00 O -ATOM 1568 H1 TIP3A 523 45.184 2.712 39.242 1.00 0.00 H -ATOM 1569 H2 TIP3A 523 44.253 3.599 38.443 1.00 0.00 H -ATOM 1570 O1 TIP3A 524 30.040 32.962 12.304 1.00 0.00 O -ATOM 1571 H1 TIP3A 524 30.429 33.836 12.298 1.00 0.00 H -ATOM 1572 H2 TIP3A 524 30.447 32.513 11.562 1.00 0.00 H -ATOM 1573 O1 TIP3A 525 11.295 40.516 51.155 1.00 0.00 O -ATOM 1574 H1 TIP3A 525 11.721 40.201 50.359 1.00 0.00 H -ATOM 1575 H2 TIP3A 525 12.016 40.681 51.764 1.00 0.00 H -ATOM 1576 O1 TIP3A 526 38.185 34.717 7.567 1.00 0.00 O -ATOM 1577 H1 TIP3A 526 38.899 35.257 7.904 1.00 0.00 H -ATOM 1578 H2 TIP3A 526 37.880 34.220 8.327 1.00 0.00 H -ATOM 1579 O1 TIP3A 527 34.081 43.689 27.242 1.00 0.00 O -ATOM 1580 H1 TIP3A 527 33.627 44.531 27.223 1.00 0.00 H -ATOM 1581 H2 TIP3A 527 34.764 43.770 26.575 1.00 0.00 H -ATOM 1582 O1 TIP3A 528 49.808 12.687 36.827 1.00 0.00 O -ATOM 1583 H1 TIP3A 528 49.880 12.911 35.900 1.00 0.00 H -ATOM 1584 H2 TIP3A 528 49.155 13.296 37.172 1.00 0.00 H -ATOM 1585 O1 TIP3A 529 42.293 17.466 28.714 1.00 0.00 O -ATOM 1586 H1 TIP3A 529 42.930 16.844 28.366 1.00 0.00 H -ATOM 1587 H2 TIP3A 529 41.482 16.962 28.791 1.00 0.00 H -ATOM 1588 O1 TIP3A 530 7.304 3.026 28.530 1.00 0.00 O -ATOM 1589 H1 TIP3A 530 7.378 3.897 28.139 1.00 0.00 H -ATOM 1590 H2 TIP3A 530 7.936 2.492 28.048 1.00 0.00 H -ATOM 1591 O1 TIP3A 531 15.656 16.890 6.722 1.00 0.00 O -ATOM 1592 H1 TIP3A 531 16.141 16.093 6.934 1.00 0.00 H -ATOM 1593 H2 TIP3A 531 16.331 17.522 6.472 1.00 0.00 H -ATOM 1594 O1 TIP3A 532 1.599 40.745 13.548 1.00 0.00 O -ATOM 1595 H1 TIP3A 532 1.863 41.661 13.471 1.00 0.00 H -ATOM 1596 H2 TIP3A 532 0.642 40.767 13.503 1.00 0.00 H -ATOM 1597 O1 TIP3A 533 30.783 23.381 11.928 1.00 0.00 O -ATOM 1598 H1 TIP3A 533 29.940 22.929 11.916 1.00 0.00 H -ATOM 1599 H2 TIP3A 533 31.295 22.917 12.591 1.00 0.00 H -ATOM 1600 O1 TIP3A 534 0.622 14.935 11.070 1.00 0.00 O -ATOM 1601 H1 TIP3A 534 0.128 15.688 10.747 1.00 0.00 H -ATOM 1602 H2 TIP3A 534 -0.000 14.458 11.621 1.00 0.00 H -ATOM 1603 O1 TIP3A 535 49.806 51.320 0.332 1.00 0.00 O -ATOM 1604 H1 TIP3A 535 49.580 51.546 1.234 1.00 0.00 H -ATOM 1605 H2 TIP3A 535 50.372 52.035 0.040 1.00 0.00 H -ATOM 1606 O1 TIP3A 536 26.297 13.170 36.625 1.00 0.00 O -ATOM 1607 H1 TIP3A 536 25.451 13.181 37.073 1.00 0.00 H -ATOM 1608 H2 TIP3A 536 26.568 14.088 36.603 1.00 0.00 H -ATOM 1609 O1 TIP3A 537 48.358 49.742 18.145 1.00 0.00 O -ATOM 1610 H1 TIP3A 537 49.298 49.902 18.062 1.00 0.00 H -ATOM 1611 H2 TIP3A 537 48.117 49.301 17.330 1.00 0.00 H -ATOM 1612 O1 TIP3A 538 49.734 42.863 57.580 1.00 0.00 O -ATOM 1613 H1 TIP3A 538 50.371 42.279 57.171 1.00 0.00 H -ATOM 1614 H2 TIP3A 538 50.265 43.539 58.004 1.00 0.00 H -ATOM 1615 O1 TIP3A 539 22.898 22.220 1.319 1.00 0.00 O -ATOM 1616 H1 TIP3A 539 22.115 22.415 0.806 1.00 0.00 H -ATOM 1617 H2 TIP3A 539 23.075 23.026 1.805 1.00 0.00 H -ATOM 1618 O1 TIP3A 540 53.807 44.792 12.909 1.00 0.00 O -ATOM 1619 H1 TIP3A 540 54.521 45.354 12.610 1.00 0.00 H -ATOM 1620 H2 TIP3A 540 53.018 45.321 12.789 1.00 0.00 H -ATOM 1621 O1 TIP3A 541 17.895 13.008 33.443 1.00 0.00 O -ATOM 1622 H1 TIP3A 541 18.105 13.941 33.413 1.00 0.00 H -ATOM 1623 H2 TIP3A 541 17.505 12.877 34.308 1.00 0.00 H -ATOM 1624 O1 TIP3A 542 11.870 3.642 1.819 1.00 0.00 O -ATOM 1625 H1 TIP3A 542 11.045 3.626 1.336 1.00 0.00 H -ATOM 1626 H2 TIP3A 542 11.728 3.050 2.558 1.00 0.00 H -ATOM 1627 O1 TIP3A 543 37.124 31.818 10.231 1.00 0.00 O -ATOM 1628 H1 TIP3A 543 37.391 32.569 9.703 1.00 0.00 H -ATOM 1629 H2 TIP3A 543 37.654 31.883 11.026 1.00 0.00 H -ATOM 1630 O1 TIP3A 544 31.541 14.223 16.237 1.00 0.00 O -ATOM 1631 H1 TIP3A 544 30.702 14.613 16.481 1.00 0.00 H -ATOM 1632 H2 TIP3A 544 31.738 13.613 16.948 1.00 0.00 H -ATOM 1633 O1 TIP3A 545 39.144 3.890 4.452 1.00 0.00 O -ATOM 1634 H1 TIP3A 545 38.821 4.703 4.064 1.00 0.00 H -ATOM 1635 H2 TIP3A 545 40.014 4.112 4.786 1.00 0.00 H -ATOM 1636 O1 TIP3A 546 22.651 9.371 32.277 1.00 0.00 O -ATOM 1637 H1 TIP3A 546 22.923 9.560 33.174 1.00 0.00 H -ATOM 1638 H2 TIP3A 546 23.471 9.249 31.798 1.00 0.00 H -ATOM 1639 O1 TIP3A 547 30.704 41.840 45.592 1.00 0.00 O -ATOM 1640 H1 TIP3A 547 31.635 41.769 45.386 1.00 0.00 H -ATOM 1641 H2 TIP3A 547 30.262 41.408 44.860 1.00 0.00 H -ATOM 1642 O1 TIP3A 548 12.972 23.209 24.069 1.00 0.00 O -ATOM 1643 H1 TIP3A 548 12.038 23.067 24.218 1.00 0.00 H -ATOM 1644 H2 TIP3A 548 13.351 23.261 24.947 1.00 0.00 H -ATOM 1645 O1 TIP3A 549 18.953 35.718 7.303 1.00 0.00 O -ATOM 1646 H1 TIP3A 549 18.547 35.954 8.136 1.00 0.00 H -ATOM 1647 H2 TIP3A 549 19.647 36.367 7.182 1.00 0.00 H -ATOM 1648 O1 TIP3A 550 7.940 20.370 4.447 1.00 0.00 O -ATOM 1649 H1 TIP3A 550 7.458 20.515 3.633 1.00 0.00 H -ATOM 1650 H2 TIP3A 550 7.303 20.553 5.138 1.00 0.00 H -ATOM 1651 O1 TIP3A 551 28.853 24.338 20.941 1.00 0.00 O -ATOM 1652 H1 TIP3A 551 28.131 23.780 21.230 1.00 0.00 H -ATOM 1653 H2 TIP3A 551 28.587 24.646 20.075 1.00 0.00 H -ATOM 1654 O1 TIP3A 552 46.671 25.524 6.827 1.00 0.00 O -ATOM 1655 H1 TIP3A 552 46.980 24.730 6.390 1.00 0.00 H -ATOM 1656 H2 TIP3A 552 47.368 25.743 7.446 1.00 0.00 H -ATOM 1657 O1 TIP3A 553 41.533 57.093 16.094 1.00 0.00 O -ATOM 1658 H1 TIP3A 553 41.326 56.212 16.403 1.00 0.00 H -ATOM 1659 H2 TIP3A 553 41.036 57.185 15.280 1.00 0.00 H -ATOM 1660 O1 TIP3A 554 24.506 28.843 7.643 1.00 0.00 O -ATOM 1661 H1 TIP3A 554 25.398 28.939 7.310 1.00 0.00 H -ATOM 1662 H2 TIP3A 554 24.614 28.729 8.588 1.00 0.00 H -ATOM 1663 O1 TIP3A 555 16.297 27.879 52.302 1.00 0.00 O -ATOM 1664 H1 TIP3A 555 15.952 26.990 52.233 1.00 0.00 H -ATOM 1665 H2 TIP3A 555 15.641 28.353 52.814 1.00 0.00 H -ATOM 1666 O1 TIP3A 556 11.367 41.347 7.152 1.00 0.00 O -ATOM 1667 H1 TIP3A 556 12.258 41.393 6.807 1.00 0.00 H -ATOM 1668 H2 TIP3A 556 10.904 40.768 6.546 1.00 0.00 H -ATOM 1669 O1 TIP3A 557 16.455 37.078 32.967 1.00 0.00 O -ATOM 1670 H1 TIP3A 557 15.617 36.678 32.740 1.00 0.00 H -ATOM 1671 H2 TIP3A 557 17.112 36.480 32.610 1.00 0.00 H -ATOM 1672 O1 TIP3A 558 25.873 29.593 40.215 1.00 0.00 O -ATOM 1673 H1 TIP3A 558 26.772 29.272 40.267 1.00 0.00 H -ATOM 1674 H2 TIP3A 558 25.733 30.050 41.045 1.00 0.00 H -ATOM 1675 O1 TIP3A 559 16.649 13.130 30.669 1.00 0.00 O -ATOM 1676 H1 TIP3A 559 17.056 13.779 31.242 1.00 0.00 H -ATOM 1677 H2 TIP3A 559 16.339 13.633 29.916 1.00 0.00 H -ATOM 1678 O1 TIP3A 560 44.705 10.896 46.808 1.00 0.00 O -ATOM 1679 H1 TIP3A 560 44.445 11.621 46.240 1.00 0.00 H -ATOM 1680 H2 TIP3A 560 44.296 11.092 47.651 1.00 0.00 H -ATOM 1681 O1 TIP3A 561 13.639 2.396 23.523 1.00 0.00 O -ATOM 1682 H1 TIP3A 561 14.310 2.903 23.978 1.00 0.00 H -ATOM 1683 H2 TIP3A 561 12.812 2.805 23.782 1.00 0.00 H -ATOM 1684 O1 TIP3A 562 4.117 11.868 31.189 1.00 0.00 O -ATOM 1685 H1 TIP3A 562 4.185 12.192 32.087 1.00 0.00 H -ATOM 1686 H2 TIP3A 562 5.015 11.634 30.950 1.00 0.00 H -ATOM 1687 O1 TIP3A 563 7.875 5.231 8.678 1.00 0.00 O -ATOM 1688 H1 TIP3A 563 7.022 5.573 8.413 1.00 0.00 H -ATOM 1689 H2 TIP3A 563 7.675 4.412 9.133 1.00 0.00 H -ATOM 1690 O1 TIP3A 564 47.733 53.441 39.634 1.00 0.00 O -ATOM 1691 H1 TIP3A 564 48.015 52.533 39.527 1.00 0.00 H -ATOM 1692 H2 TIP3A 564 47.695 53.788 38.742 1.00 0.00 H -ATOM 1693 O1 TIP3A 565 8.865 1.611 13.102 1.00 0.00 O -ATOM 1694 H1 TIP3A 565 8.274 2.356 13.004 1.00 0.00 H -ATOM 1695 H2 TIP3A 565 8.532 1.139 13.866 1.00 0.00 H -ATOM 1696 O1 TIP3A 566 16.721 30.013 11.536 1.00 0.00 O -ATOM 1697 H1 TIP3A 566 16.797 30.551 12.323 1.00 0.00 H -ATOM 1698 H2 TIP3A 566 17.609 29.982 11.178 1.00 0.00 H -ATOM 1699 O1 TIP3A 567 36.976 44.804 48.664 1.00 0.00 O -ATOM 1700 H1 TIP3A 567 36.227 45.320 48.369 1.00 0.00 H -ATOM 1701 H2 TIP3A 567 37.730 45.203 48.227 1.00 0.00 H -ATOM 1702 O1 TIP3A 568 23.361 9.410 5.014 1.00 0.00 O -ATOM 1703 H1 TIP3A 568 23.809 8.691 4.570 1.00 0.00 H -ATOM 1704 H2 TIP3A 568 23.880 10.186 4.798 1.00 0.00 H -ATOM 1705 O1 TIP3A 569 13.950 0.616 35.618 1.00 0.00 O -ATOM 1706 H1 TIP3A 569 13.079 1.003 35.534 1.00 0.00 H -ATOM 1707 H2 TIP3A 569 14.046 0.070 34.837 1.00 0.00 H -ATOM 1708 O1 TIP3A 570 54.065 31.725 23.764 1.00 0.00 O -ATOM 1709 H1 TIP3A 570 54.991 31.695 23.524 1.00 0.00 H -ATOM 1710 H2 TIP3A 570 54.046 32.217 24.585 1.00 0.00 H -ATOM 1711 O1 TIP3A 571 17.966 6.758 15.050 1.00 0.00 O -ATOM 1712 H1 TIP3A 571 18.635 6.944 14.391 1.00 0.00 H -ATOM 1713 H2 TIP3A 571 17.692 5.859 14.866 1.00 0.00 H -ATOM 1714 O1 TIP3A 572 6.553 33.827 18.589 1.00 0.00 O -ATOM 1715 H1 TIP3A 572 6.191 34.000 17.720 1.00 0.00 H -ATOM 1716 H2 TIP3A 572 6.870 34.679 18.890 1.00 0.00 H -ATOM 1717 O1 TIP3A 573 27.937 4.175 36.588 1.00 0.00 O -ATOM 1718 H1 TIP3A 573 28.632 4.815 36.741 1.00 0.00 H -ATOM 1719 H2 TIP3A 573 27.129 4.689 36.606 1.00 0.00 H -ATOM 1720 O1 TIP3A 574 53.189 36.756 10.055 1.00 0.00 O -ATOM 1721 H1 TIP3A 574 53.734 36.005 10.288 1.00 0.00 H -ATOM 1722 H2 TIP3A 574 53.760 37.515 10.176 1.00 0.00 H -ATOM 1723 O1 TIP3A 575 8.035 42.334 9.001 1.00 0.00 O -ATOM 1724 H1 TIP3A 575 8.530 41.801 9.622 1.00 0.00 H -ATOM 1725 H2 TIP3A 575 7.215 41.856 8.874 1.00 0.00 H -ATOM 1726 O1 TIP3A 576 52.206 23.468 55.969 1.00 0.00 O -ATOM 1727 H1 TIP3A 576 52.338 22.787 55.310 1.00 0.00 H -ATOM 1728 H2 TIP3A 576 52.701 24.219 55.640 1.00 0.00 H -ATOM 1729 O1 TIP3A 577 57.015 16.182 47.679 1.00 0.00 O -ATOM 1730 H1 TIP3A 577 56.695 16.006 46.795 1.00 0.00 H -ATOM 1731 H2 TIP3A 577 57.968 16.203 47.590 1.00 0.00 H -ATOM 1732 O1 TIP3A 578 16.495 47.429 46.306 1.00 0.00 O -ATOM 1733 H1 TIP3A 578 16.488 48.384 46.260 1.00 0.00 H -ATOM 1734 H2 TIP3A 578 15.915 47.150 45.597 1.00 0.00 H -ATOM 1735 O1 TIP3A 579 5.702 7.756 32.611 1.00 0.00 O -ATOM 1736 H1 TIP3A 579 5.779 6.885 32.998 1.00 0.00 H -ATOM 1737 H2 TIP3A 579 5.138 7.630 31.847 1.00 0.00 H -ATOM 1738 O1 TIP3A 580 18.654 31.747 31.573 1.00 0.00 O -ATOM 1739 H1 TIP3A 580 19.119 32.362 32.140 1.00 0.00 H -ATOM 1740 H2 TIP3A 580 18.674 32.157 30.707 1.00 0.00 H -ATOM 1741 O1 TIP3A 581 39.316 52.611 45.977 1.00 0.00 O -ATOM 1742 H1 TIP3A 581 39.318 52.130 45.150 1.00 0.00 H -ATOM 1743 H2 TIP3A 581 40.184 52.453 46.349 1.00 0.00 H -ATOM 1744 O1 TIP3A 582 49.423 39.050 12.712 1.00 0.00 O -ATOM 1745 H1 TIP3A 582 48.661 39.072 12.133 1.00 0.00 H -ATOM 1746 H2 TIP3A 582 49.874 38.237 12.483 1.00 0.00 H -ATOM 1747 O1 TIP3A 583 55.030 44.668 33.579 1.00 0.00 O -ATOM 1748 H1 TIP3A 583 55.376 43.845 33.236 1.00 0.00 H -ATOM 1749 H2 TIP3A 583 54.081 44.540 33.600 1.00 0.00 H -ATOM 1750 O1 TIP3A 584 36.826 7.166 25.922 1.00 0.00 O -ATOM 1751 H1 TIP3A 584 35.975 6.730 25.889 1.00 0.00 H -ATOM 1752 H2 TIP3A 584 36.717 7.947 25.378 1.00 0.00 H -ATOM 1753 O1 TIP3A 585 22.586 25.975 28.973 1.00 0.00 O -ATOM 1754 H1 TIP3A 585 22.618 25.176 29.498 1.00 0.00 H -ATOM 1755 H2 TIP3A 585 23.432 26.004 28.526 1.00 0.00 H -ATOM 1756 O1 TIP3A 586 3.799 1.952 26.345 1.00 0.00 O -ATOM 1757 H1 TIP3A 586 3.104 2.424 25.888 1.00 0.00 H -ATOM 1758 H2 TIP3A 586 3.577 1.027 26.231 1.00 0.00 H -ATOM 1759 O1 TIP3A 587 55.590 18.576 36.772 1.00 0.00 O -ATOM 1760 H1 TIP3A 587 54.977 19.259 36.501 1.00 0.00 H -ATOM 1761 H2 TIP3A 587 56.343 18.684 36.190 1.00 0.00 H -ATOM 1762 O1 TIP3A 588 47.982 45.351 48.917 1.00 0.00 O -ATOM 1763 H1 TIP3A 588 47.982 45.807 49.758 1.00 0.00 H -ATOM 1764 H2 TIP3A 588 48.866 44.992 48.839 1.00 0.00 H -ATOM 1765 O1 TIP3A 589 12.799 13.372 8.374 1.00 0.00 O -ATOM 1766 H1 TIP3A 589 13.717 13.626 8.289 1.00 0.00 H -ATOM 1767 H2 TIP3A 589 12.694 12.641 7.765 1.00 0.00 H -ATOM 1768 O1 TIP3A 590 24.694 41.866 23.523 1.00 0.00 O -ATOM 1769 H1 TIP3A 590 25.408 41.360 23.910 1.00 0.00 H -ATOM 1770 H2 TIP3A 590 25.125 42.452 22.901 1.00 0.00 H -ATOM 1771 O1 TIP3A 591 46.986 56.221 9.082 1.00 0.00 O -ATOM 1772 H1 TIP3A 591 46.308 55.603 8.811 1.00 0.00 H -ATOM 1773 H2 TIP3A 591 46.525 56.857 9.631 1.00 0.00 H -ATOM 1774 O1 TIP3A 592 7.267 56.919 29.044 1.00 0.00 O -ATOM 1775 H1 TIP3A 592 8.118 57.136 29.423 1.00 0.00 H -ATOM 1776 H2 TIP3A 592 6.644 57.471 29.517 1.00 0.00 H -ATOM 1777 O1 TIP3A 593 50.640 9.405 21.337 1.00 0.00 O -ATOM 1778 H1 TIP3A 593 51.470 8.941 21.238 1.00 0.00 H -ATOM 1779 H2 TIP3A 593 50.813 10.065 22.010 1.00 0.00 H -ATOM 1780 O1 TIP3A 594 41.194 3.146 19.347 1.00 0.00 O -ATOM 1781 H1 TIP3A 594 41.014 3.637 20.148 1.00 0.00 H -ATOM 1782 H2 TIP3A 594 40.914 2.252 19.546 1.00 0.00 H -ATOM 1783 O1 TIP3A 595 58.009 18.301 3.262 1.00 0.00 O -ATOM 1784 H1 TIP3A 595 57.761 17.378 3.228 1.00 0.00 H -ATOM 1785 H2 TIP3A 595 57.279 18.761 2.845 1.00 0.00 H -ATOM 1786 O1 TIP3A 596 55.888 6.024 26.904 1.00 0.00 O -ATOM 1787 H1 TIP3A 596 55.484 5.198 26.639 1.00 0.00 H -ATOM 1788 H2 TIP3A 596 55.762 6.060 27.853 1.00 0.00 H -ATOM 1789 O1 TIP3A 597 10.377 15.562 43.002 1.00 0.00 O -ATOM 1790 H1 TIP3A 597 10.031 15.460 43.888 1.00 0.00 H -ATOM 1791 H2 TIP3A 597 10.015 14.821 42.515 1.00 0.00 H -ATOM 1792 O1 TIP3A 598 13.603 20.223 48.223 1.00 0.00 O -ATOM 1793 H1 TIP3A 598 13.896 21.132 48.280 1.00 0.00 H -ATOM 1794 H2 TIP3A 598 12.968 20.130 48.934 1.00 0.00 H -ATOM 1795 O1 TIP3A 599 5.562 24.807 9.823 1.00 0.00 O -ATOM 1796 H1 TIP3A 599 5.297 25.095 10.695 1.00 0.00 H -ATOM 1797 H2 TIP3A 599 6.200 25.461 9.537 1.00 0.00 H -ATOM 1798 O1 TIP3A 600 49.005 1.098 6.622 1.00 0.00 O -ATOM 1799 H1 TIP3A 600 48.129 1.247 6.977 1.00 0.00 H -ATOM 1800 H2 TIP3A 600 49.451 0.579 7.292 1.00 0.00 H -ATOM 1801 O1 TIP3A 601 43.900 51.579 48.075 1.00 0.00 O -ATOM 1802 H1 TIP3A 601 43.792 52.356 47.527 1.00 0.00 H -ATOM 1803 H2 TIP3A 601 43.773 50.843 47.476 1.00 0.00 H -ATOM 1804 O1 TIP3A 602 53.200 44.798 40.921 1.00 0.00 O -ATOM 1805 H1 TIP3A 602 53.005 43.866 41.009 1.00 0.00 H -ATOM 1806 H2 TIP3A 602 54.146 44.859 41.053 1.00 0.00 H -ATOM 1807 O1 TIP3A 603 53.507 13.719 6.575 1.00 0.00 O -ATOM 1808 H1 TIP3A 603 54.068 12.946 6.629 1.00 0.00 H -ATOM 1809 H2 TIP3A 603 53.894 14.340 7.193 1.00 0.00 H -ATOM 1810 O1 TIP3A 604 56.652 4.959 11.990 1.00 0.00 O -ATOM 1811 H1 TIP3A 604 57.349 4.680 12.582 1.00 0.00 H -ATOM 1812 H2 TIP3A 604 56.129 4.169 11.845 1.00 0.00 H -ATOM 1813 O1 TIP3A 605 1.123 5.572 28.624 1.00 0.00 O -ATOM 1814 H1 TIP3A 605 1.386 5.072 29.397 1.00 0.00 H -ATOM 1815 H2 TIP3A 605 1.212 6.488 28.889 1.00 0.00 H -ATOM 1816 O1 TIP3A 606 14.555 11.260 22.963 1.00 0.00 O -ATOM 1817 H1 TIP3A 606 15.004 10.415 22.951 1.00 0.00 H -ATOM 1818 H2 TIP3A 606 15.124 11.826 23.486 1.00 0.00 H -ATOM 1819 O1 TIP3A 607 11.967 30.730 50.123 1.00 0.00 O -ATOM 1820 H1 TIP3A 607 12.905 30.744 49.936 1.00 0.00 H -ATOM 1821 H2 TIP3A 607 11.668 29.883 49.793 1.00 0.00 H -ATOM 1822 O1 TIP3A 608 22.076 21.200 38.287 1.00 0.00 O -ATOM 1823 H1 TIP3A 608 21.439 21.543 38.912 1.00 0.00 H -ATOM 1824 H2 TIP3A 608 22.389 21.972 37.815 1.00 0.00 H -ATOM 1825 O1 TIP3A 609 12.891 30.475 52.402 1.00 0.00 O -ATOM 1826 H1 TIP3A 609 13.658 29.905 52.355 1.00 0.00 H -ATOM 1827 H2 TIP3A 609 12.990 30.944 53.231 1.00 0.00 H -ATOM 1828 O1 TIP3A 610 -0.001 56.492 40.672 1.00 0.00 O -ATOM 1829 H1 TIP3A 610 0.496 56.888 39.957 1.00 0.00 H -ATOM 1830 H2 TIP3A 610 0.215 55.561 40.629 1.00 0.00 H -ATOM 1831 O1 TIP3A 611 13.224 28.998 30.287 1.00 0.00 O -ATOM 1832 H1 TIP3A 611 12.602 29.501 30.810 1.00 0.00 H -ATOM 1833 H2 TIP3A 611 14.074 29.167 30.695 1.00 0.00 H -ATOM 1834 O1 TIP3A 612 18.245 29.713 54.799 1.00 0.00 O -ATOM 1835 H1 TIP3A 612 17.529 29.996 54.231 1.00 0.00 H -ATOM 1836 H2 TIP3A 612 18.778 29.140 54.246 1.00 0.00 H -ATOM 1837 O1 TIP3A 613 9.109 6.968 9.224 1.00 0.00 O -ATOM 1838 H1 TIP3A 613 9.238 7.916 9.206 1.00 0.00 H -ATOM 1839 H2 TIP3A 613 9.223 6.728 10.144 1.00 0.00 H -ATOM 1840 O1 TIP3A 614 38.162 28.998 23.964 1.00 0.00 O -ATOM 1841 H1 TIP3A 614 37.721 29.207 23.141 1.00 0.00 H -ATOM 1842 H2 TIP3A 614 37.466 29.019 24.622 1.00 0.00 H -ATOM 1843 O1 TIP3A 615 18.368 55.450 50.962 1.00 0.00 O -ATOM 1844 H1 TIP3A 615 17.896 54.713 51.347 1.00 0.00 H -ATOM 1845 H2 TIP3A 615 17.814 56.210 51.141 1.00 0.00 H -ATOM 1846 O1 TIP3A 616 25.643 11.735 40.482 1.00 0.00 O -ATOM 1847 H1 TIP3A 616 24.911 11.120 40.459 1.00 0.00 H -ATOM 1848 H2 TIP3A 616 25.427 12.390 39.817 1.00 0.00 H -ATOM 1849 O1 TIP3A 617 6.333 26.886 25.842 1.00 0.00 O -ATOM 1850 H1 TIP3A 617 6.707 27.698 26.183 1.00 0.00 H -ATOM 1851 H2 TIP3A 617 6.808 26.192 26.301 1.00 0.00 H -ATOM 1852 O1 TIP3A 618 9.197 26.055 20.042 1.00 0.00 O -ATOM 1853 H1 TIP3A 618 9.456 26.154 19.127 1.00 0.00 H -ATOM 1854 H2 TIP3A 618 8.476 25.425 20.021 1.00 0.00 H -ATOM 1855 O1 TIP3A 619 57.236 28.993 3.830 1.00 0.00 O -ATOM 1856 H1 TIP3A 619 58.000 29.538 3.645 1.00 0.00 H -ATOM 1857 H2 TIP3A 619 57.328 28.244 3.239 1.00 0.00 H -ATOM 1858 O1 TIP3A 620 29.391 23.758 2.496 1.00 0.00 O -ATOM 1859 H1 TIP3A 620 28.599 24.292 2.448 1.00 0.00 H -ATOM 1860 H2 TIP3A 620 29.969 24.124 1.826 1.00 0.00 H -ATOM 1861 O1 TIP3A 621 42.990 32.855 0.648 1.00 0.00 O -ATOM 1862 H1 TIP3A 621 42.586 33.593 0.192 1.00 0.00 H -ATOM 1863 H2 TIP3A 621 43.692 32.566 0.064 1.00 0.00 H -ATOM 1864 O1 TIP3A 622 0.753 44.468 14.862 1.00 0.00 O -ATOM 1865 H1 TIP3A 622 0.057 45.123 14.813 1.00 0.00 H -ATOM 1866 H2 TIP3A 622 0.531 43.938 15.628 1.00 0.00 H -ATOM 1867 O1 TIP3A 623 39.915 34.404 41.278 1.00 0.00 O -ATOM 1868 H1 TIP3A 623 40.200 35.317 41.269 1.00 0.00 H -ATOM 1869 H2 TIP3A 623 39.020 34.429 40.939 1.00 0.00 H -ATOM 1870 O1 TIP3A 624 9.154 43.537 20.578 1.00 0.00 O -ATOM 1871 H1 TIP3A 624 9.977 43.140 20.298 1.00 0.00 H -ATOM 1872 H2 TIP3A 624 9.352 44.471 20.655 1.00 0.00 H -ATOM 1873 O1 TIP3A 625 20.575 17.617 12.878 1.00 0.00 O -ATOM 1874 H1 TIP3A 625 20.587 18.569 12.783 1.00 0.00 H -ATOM 1875 H2 TIP3A 625 19.664 17.408 13.087 1.00 0.00 H -ATOM 1876 O1 TIP3A 626 12.528 26.638 22.195 1.00 0.00 O -ATOM 1877 H1 TIP3A 626 11.969 27.413 22.236 1.00 0.00 H -ATOM 1878 H2 TIP3A 626 12.199 26.143 21.445 1.00 0.00 H -ATOM 1879 O1 TIP3A 627 32.243 42.349 25.661 1.00 0.00 O -ATOM 1880 H1 TIP3A 627 32.476 43.270 25.546 1.00 0.00 H -ATOM 1881 H2 TIP3A 627 31.628 42.346 26.395 1.00 0.00 H -ATOM 1882 O1 TIP3A 628 52.422 51.346 45.076 1.00 0.00 O -ATOM 1883 H1 TIP3A 628 52.814 51.671 44.266 1.00 0.00 H -ATOM 1884 H2 TIP3A 628 51.773 50.703 44.788 1.00 0.00 H -ATOM 1885 O1 TIP3A 629 32.442 15.791 23.688 1.00 0.00 O -ATOM 1886 H1 TIP3A 629 32.990 16.389 24.194 1.00 0.00 H -ATOM 1887 H2 TIP3A 629 31.628 15.729 24.188 1.00 0.00 H -ATOM 1888 O1 TIP3A 630 16.728 4.118 39.726 1.00 0.00 O -ATOM 1889 H1 TIP3A 630 16.373 3.370 39.247 1.00 0.00 H -ATOM 1890 H2 TIP3A 630 16.041 4.784 39.674 1.00 0.00 H -ATOM 1891 O1 TIP3A 631 17.761 40.748 3.188 1.00 0.00 O -ATOM 1892 H1 TIP3A 631 18.149 40.629 2.321 1.00 0.00 H -ATOM 1893 H2 TIP3A 631 17.327 39.915 3.373 1.00 0.00 H -ATOM 1894 O1 TIP3A 632 44.005 18.098 39.554 1.00 0.00 O -ATOM 1895 H1 TIP3A 632 43.507 18.550 40.234 1.00 0.00 H -ATOM 1896 H2 TIP3A 632 43.387 17.468 39.182 1.00 0.00 H -ATOM 1897 O1 TIP3A 633 11.501 32.788 37.688 1.00 0.00 O -ATOM 1898 H1 TIP3A 633 11.439 32.574 38.618 1.00 0.00 H -ATOM 1899 H2 TIP3A 633 12.442 32.832 37.514 1.00 0.00 H -ATOM 1900 O1 TIP3A 634 38.032 3.857 42.720 1.00 0.00 O -ATOM 1901 H1 TIP3A 634 37.623 4.173 43.525 1.00 0.00 H -ATOM 1902 H2 TIP3A 634 38.675 3.211 43.015 1.00 0.00 H -ATOM 1903 O1 TIP3A 635 12.661 47.570 31.764 1.00 0.00 O -ATOM 1904 H1 TIP3A 635 13.089 47.800 30.940 1.00 0.00 H -ATOM 1905 H2 TIP3A 635 12.231 46.733 31.586 1.00 0.00 H -ATOM 1906 O1 TIP3A 636 45.758 12.393 28.777 1.00 0.00 O -ATOM 1907 H1 TIP3A 636 46.615 12.492 29.191 1.00 0.00 H -ATOM 1908 H2 TIP3A 636 45.139 12.383 29.508 1.00 0.00 H -ATOM 1909 O1 TIP3A 637 23.385 34.086 25.318 1.00 0.00 O -ATOM 1910 H1 TIP3A 637 23.332 35.033 25.189 1.00 0.00 H -ATOM 1911 H2 TIP3A 637 22.642 33.879 25.886 1.00 0.00 H -ATOM 1912 O1 TIP3A 638 6.567 35.772 35.000 1.00 0.00 O -ATOM 1913 H1 TIP3A 638 7.504 35.966 35.006 1.00 0.00 H -ATOM 1914 H2 TIP3A 638 6.175 36.465 35.532 1.00 0.00 H -ATOM 1915 O1 TIP3A 639 0.198 52.578 53.052 1.00 0.00 O -ATOM 1916 H1 TIP3A 639 1.144 52.550 52.911 1.00 0.00 H -ATOM 1917 H2 TIP3A 639 -0.005 53.511 53.131 1.00 0.00 H -ATOM 1918 O1 TIP3A 640 39.706 34.774 36.263 1.00 0.00 O -ATOM 1919 H1 TIP3A 640 39.530 35.680 36.515 1.00 0.00 H -ATOM 1920 H2 TIP3A 640 40.536 34.814 35.787 1.00 0.00 H -ATOM 1921 O1 TIP3A 641 32.688 13.204 2.195 1.00 0.00 O -ATOM 1922 H1 TIP3A 641 32.355 14.021 2.564 1.00 0.00 H -ATOM 1923 H2 TIP3A 641 32.612 12.570 2.908 1.00 0.00 H -ATOM 1924 O1 TIP3A 642 52.278 50.885 2.600 1.00 0.00 O -ATOM 1925 H1 TIP3A 642 52.509 50.093 2.116 1.00 0.00 H -ATOM 1926 H2 TIP3A 642 51.676 51.353 2.020 1.00 0.00 H -ATOM 1927 O1 TIP3A 643 -0.029 55.531 34.783 1.00 0.00 O -ATOM 1928 H1 TIP3A 643 0.286 55.488 35.685 1.00 0.00 H -ATOM 1929 H2 TIP3A 643 0.744 55.341 34.250 1.00 0.00 H -ATOM 1930 O1 TIP3A 644 22.842 41.067 25.011 1.00 0.00 O -ATOM 1931 H1 TIP3A 644 23.644 40.546 25.003 1.00 0.00 H -ATOM 1932 H2 TIP3A 644 23.143 41.974 24.945 1.00 0.00 H -ATOM 1933 O1 TIP3A 645 17.578 42.783 7.081 1.00 0.00 O -ATOM 1934 H1 TIP3A 645 17.114 42.095 7.557 1.00 0.00 H -ATOM 1935 H2 TIP3A 645 16.983 43.027 6.371 1.00 0.00 H -ATOM 1936 O1 TIP3A 646 28.379 28.599 45.067 1.00 0.00 O -ATOM 1937 H1 TIP3A 646 28.768 27.894 44.551 1.00 0.00 H -ATOM 1938 H2 TIP3A 646 27.434 28.467 44.981 1.00 0.00 H -ATOM 1939 O1 TIP3A 647 37.554 13.032 52.590 1.00 0.00 O -ATOM 1940 H1 TIP3A 647 38.139 12.308 52.811 1.00 0.00 H -ATOM 1941 H2 TIP3A 647 37.310 13.410 53.436 1.00 0.00 H -ATOM 1942 O1 TIP3A 648 8.110 4.452 37.351 1.00 0.00 O -ATOM 1943 H1 TIP3A 648 7.217 4.109 37.322 1.00 0.00 H -ATOM 1944 H2 TIP3A 648 8.290 4.730 36.453 1.00 0.00 H -ATOM 1945 O1 TIP3A 649 7.508 45.615 54.445 1.00 0.00 O -ATOM 1946 H1 TIP3A 649 7.139 44.785 54.745 1.00 0.00 H -ATOM 1947 H2 TIP3A 649 8.456 45.482 54.476 1.00 0.00 H -ATOM 1948 O1 TIP3A 650 21.059 22.623 15.617 1.00 0.00 O -ATOM 1949 H1 TIP3A 650 21.656 23.041 14.997 1.00 0.00 H -ATOM 1950 H2 TIP3A 650 21.584 22.495 16.407 1.00 0.00 H -ATOM 1951 O1 TIP3A 651 57.995 33.977 17.977 1.00 0.00 O -ATOM 1952 H1 TIP3A 651 57.970 33.253 18.602 1.00 0.00 H -ATOM 1953 H2 TIP3A 651 57.606 33.618 17.179 1.00 0.00 H -ATOM 1954 O1 TIP3A 652 14.283 28.165 1.324 1.00 0.00 O -ATOM 1955 H1 TIP3A 652 15.232 28.107 1.423 1.00 0.00 H -ATOM 1956 H2 TIP3A 652 14.132 28.057 0.385 1.00 0.00 H -ATOM 1957 O1 TIP3A 653 9.998 49.005 24.590 1.00 0.00 O -ATOM 1958 H1 TIP3A 653 10.853 48.628 24.794 1.00 0.00 H -ATOM 1959 H2 TIP3A 653 9.371 48.317 24.816 1.00 0.00 H -ATOM 1960 O1 TIP3A 654 21.015 22.570 45.301 1.00 0.00 O -ATOM 1961 H1 TIP3A 654 21.503 22.390 46.104 1.00 0.00 H -ATOM 1962 H2 TIP3A 654 20.137 22.806 45.602 1.00 0.00 H -ATOM 1963 O1 TIP3A 655 48.945 3.781 31.914 1.00 0.00 O -ATOM 1964 H1 TIP3A 655 49.363 4.625 31.745 1.00 0.00 H -ATOM 1965 H2 TIP3A 655 49.634 3.135 31.751 1.00 0.00 H -ATOM 1966 O1 TIP3A 656 52.940 6.453 49.751 1.00 0.00 O -ATOM 1967 H1 TIP3A 656 53.000 5.803 49.052 1.00 0.00 H -ATOM 1968 H2 TIP3A 656 52.960 5.939 50.559 1.00 0.00 H -ATOM 1969 O1 TIP3A 657 52.668 10.632 29.353 1.00 0.00 O -ATOM 1970 H1 TIP3A 657 52.812 11.556 29.149 1.00 0.00 H -ATOM 1971 H2 TIP3A 657 53.543 10.243 29.332 1.00 0.00 H -ATOM 1972 O1 TIP3A 658 34.825 42.460 10.789 1.00 0.00 O -ATOM 1973 H1 TIP3A 658 34.071 43.030 10.646 1.00 0.00 H -ATOM 1974 H2 TIP3A 658 34.467 41.699 11.248 1.00 0.00 H -ATOM 1975 O1 TIP3A 659 15.684 41.994 21.918 1.00 0.00 O -ATOM 1976 H1 TIP3A 659 14.818 41.591 21.973 1.00 0.00 H -ATOM 1977 H2 TIP3A 659 16.185 41.585 22.624 1.00 0.00 H -ATOM 1978 O1 TIP3A 660 54.362 5.885 53.924 1.00 0.00 O -ATOM 1979 H1 TIP3A 660 54.501 5.008 54.281 1.00 0.00 H -ATOM 1980 H2 TIP3A 660 55.058 6.416 54.313 1.00 0.00 H -ATOM 1981 O1 TIP3A 661 4.932 28.961 37.209 1.00 0.00 O -ATOM 1982 H1 TIP3A 661 5.148 29.542 37.938 1.00 0.00 H -ATOM 1983 H2 TIP3A 661 4.142 28.501 37.494 1.00 0.00 H -ATOM 1984 O1 TIP3A 662 21.672 19.538 34.574 1.00 0.00 O -ATOM 1985 H1 TIP3A 662 20.765 19.745 34.797 1.00 0.00 H -ATOM 1986 H2 TIP3A 662 21.823 19.982 33.740 1.00 0.00 H -ATOM 1987 O1 TIP3A 663 38.051 16.360 39.864 1.00 0.00 O -ATOM 1988 H1 TIP3A 663 37.723 17.242 40.039 1.00 0.00 H -ATOM 1989 H2 TIP3A 663 38.186 15.978 40.732 1.00 0.00 H -ATOM 1990 O1 TIP3A 664 -0.018 52.846 24.274 1.00 0.00 O -ATOM 1991 H1 TIP3A 664 -0.007 52.052 23.741 1.00 0.00 H -ATOM 1992 H2 TIP3A 664 0.786 52.798 24.794 1.00 0.00 H -ATOM 1993 O1 TIP3A 665 47.556 49.528 56.607 1.00 0.00 O -ATOM 1994 H1 TIP3A 665 48.211 50.131 56.257 1.00 0.00 H -ATOM 1995 H2 TIP3A 665 48.048 48.733 56.814 1.00 0.00 H -ATOM 1996 O1 TIP3A 666 0.070 22.084 54.085 1.00 0.00 O -ATOM 1997 H1 TIP3A 666 0.537 21.905 53.269 1.00 0.00 H -ATOM 1998 H2 TIP3A 666 0.762 22.184 54.740 1.00 0.00 H -ATOM 1999 O1 TIP3A 667 57.774 10.904 24.022 1.00 0.00 O -ATOM 2000 H1 TIP3A 667 56.910 10.516 24.155 1.00 0.00 H -ATOM 2001 H2 TIP3A 667 57.929 10.828 23.080 1.00 0.00 H -ATOM 2002 O1 TIP3A 668 22.590 12.347 16.245 1.00 0.00 O -ATOM 2003 H1 TIP3A 668 21.659 12.126 16.248 1.00 0.00 H -ATOM 2004 H2 TIP3A 668 23.035 11.516 16.416 1.00 0.00 H -ATOM 2005 O1 TIP3A 669 43.643 49.307 39.698 1.00 0.00 O -ATOM 2006 H1 TIP3A 669 43.404 49.489 38.790 1.00 0.00 H -ATOM 2007 H2 TIP3A 669 44.597 49.392 39.717 1.00 0.00 H -ATOM 2008 O1 TIP3A 670 27.212 31.116 48.179 1.00 0.00 O -ATOM 2009 H1 TIP3A 670 26.955 30.242 48.472 1.00 0.00 H -ATOM 2010 H2 TIP3A 670 27.934 31.361 48.758 1.00 0.00 H -ATOM 2011 O1 TIP3A 671 23.365 11.951 31.941 1.00 0.00 O -ATOM 2012 H1 TIP3A 671 22.539 11.629 32.302 1.00 0.00 H -ATOM 2013 H2 TIP3A 671 23.237 11.930 30.992 1.00 0.00 H -ATOM 2014 O1 TIP3A 672 3.991 44.777 30.446 1.00 0.00 O -ATOM 2015 H1 TIP3A 672 3.758 44.414 31.300 1.00 0.00 H -ATOM 2016 H2 TIP3A 672 4.879 44.459 30.284 1.00 0.00 H -ATOM 2017 O1 TIP3A 673 23.740 50.927 6.405 1.00 0.00 O -ATOM 2018 H1 TIP3A 673 23.536 50.019 6.626 1.00 0.00 H -ATOM 2019 H2 TIP3A 673 23.334 51.063 5.549 1.00 0.00 H -ATOM 2020 O1 TIP3A 674 2.729 46.890 38.672 1.00 0.00 O -ATOM 2021 H1 TIP3A 674 3.632 46.665 38.891 1.00 0.00 H -ATOM 2022 H2 TIP3A 674 2.541 46.384 37.880 1.00 0.00 H -ATOM 2023 O1 TIP3A 675 42.708 29.653 3.209 1.00 0.00 O -ATOM 2024 H1 TIP3A 675 43.587 29.295 3.327 1.00 0.00 H -ATOM 2025 H2 TIP3A 675 42.850 30.583 3.026 1.00 0.00 H -ATOM 2026 O1 TIP3A 676 52.276 14.890 18.946 1.00 0.00 O -ATOM 2027 H1 TIP3A 676 51.680 14.513 18.301 1.00 0.00 H -ATOM 2028 H2 TIP3A 676 52.967 14.234 19.047 1.00 0.00 H -ATOM 2029 O1 TIP3A 677 11.433 12.265 52.704 1.00 0.00 O -ATOM 2030 H1 TIP3A 677 11.386 11.426 52.248 1.00 0.00 H -ATOM 2031 H2 TIP3A 677 11.666 12.037 53.604 1.00 0.00 H -ATOM 2032 O1 TIP3A 678 11.636 8.497 19.068 1.00 0.00 O -ATOM 2033 H1 TIP3A 678 11.932 7.753 18.544 1.00 0.00 H -ATOM 2034 H2 TIP3A 678 10.683 8.401 19.104 1.00 0.00 H -ATOM 2035 O1 TIP3A 679 13.304 57.448 36.337 1.00 0.00 O -ATOM 2036 H1 TIP3A 679 14.080 58.001 36.256 1.00 0.00 H -ATOM 2037 H2 TIP3A 679 12.661 58.001 36.782 1.00 0.00 H -ATOM 2038 O1 TIP3A 680 11.971 22.560 48.359 1.00 0.00 O -ATOM 2039 H1 TIP3A 680 11.516 21.738 48.536 1.00 0.00 H -ATOM 2040 H2 TIP3A 680 12.528 22.697 49.125 1.00 0.00 H -ATOM 2041 O1 TIP3A 681 38.200 9.730 28.019 1.00 0.00 O -ATOM 2042 H1 TIP3A 681 37.899 10.570 27.677 1.00 0.00 H -ATOM 2043 H2 TIP3A 681 38.305 9.178 27.243 1.00 0.00 H -ATOM 2044 O1 TIP3A 682 25.549 24.219 12.045 1.00 0.00 O -ATOM 2045 H1 TIP3A 682 26.173 24.765 12.522 1.00 0.00 H -ATOM 2046 H2 TIP3A 682 25.601 24.528 11.140 1.00 0.00 H -ATOM 2047 O1 TIP3A 683 17.694 29.296 5.931 1.00 0.00 O -ATOM 2048 H1 TIP3A 683 16.815 29.193 6.293 1.00 0.00 H -ATOM 2049 H2 TIP3A 683 17.786 30.238 5.787 1.00 0.00 H -ATOM 2050 O1 TIP3A 684 41.352 43.991 27.026 1.00 0.00 O -ATOM 2051 H1 TIP3A 684 41.794 44.087 27.869 1.00 0.00 H -ATOM 2052 H2 TIP3A 684 41.884 43.356 26.546 1.00 0.00 H -ATOM 2053 O1 TIP3A 685 15.703 0.611 3.891 1.00 0.00 O -ATOM 2054 H1 TIP3A 685 15.503 0.640 4.826 1.00 0.00 H -ATOM 2055 H2 TIP3A 685 16.437 -0.000 3.821 1.00 0.00 H -ATOM 2056 O1 TIP3A 686 25.957 51.342 41.115 1.00 0.00 O -ATOM 2057 H1 TIP3A 686 26.244 50.442 41.265 1.00 0.00 H -ATOM 2058 H2 TIP3A 686 25.334 51.278 40.390 1.00 0.00 H -ATOM 2059 O1 TIP3A 687 26.420 48.414 46.660 1.00 0.00 O -ATOM 2060 H1 TIP3A 687 26.789 49.289 46.549 1.00 0.00 H -ATOM 2061 H2 TIP3A 687 25.482 48.563 46.788 1.00 0.00 H -ATOM 2062 O1 TIP3A 688 33.582 8.963 20.839 1.00 0.00 O -ATOM 2063 H1 TIP3A 688 32.736 8.528 20.944 1.00 0.00 H -ATOM 2064 H2 TIP3A 688 33.791 9.296 21.712 1.00 0.00 H -ATOM 2065 O1 TIP3A 689 24.141 15.615 50.935 1.00 0.00 O -ATOM 2066 H1 TIP3A 689 25.083 15.777 50.888 1.00 0.00 H -ATOM 2067 H2 TIP3A 689 23.979 14.945 50.270 1.00 0.00 H -ATOM 2068 O1 TIP3A 690 25.610 38.012 22.042 1.00 0.00 O -ATOM 2069 H1 TIP3A 690 24.886 38.132 21.428 1.00 0.00 H -ATOM 2070 H2 TIP3A 690 26.339 37.715 21.497 1.00 0.00 H -ATOM 2071 O1 TIP3A 691 46.040 53.622 48.138 1.00 0.00 O -ATOM 2072 H1 TIP3A 691 45.967 52.731 47.797 1.00 0.00 H -ATOM 2073 H2 TIP3A 691 45.331 54.102 47.708 1.00 0.00 H -ATOM 2074 O1 TIP3A 692 33.055 20.309 17.779 1.00 0.00 O -ATOM 2075 H1 TIP3A 692 33.782 20.084 17.200 1.00 0.00 H -ATOM 2076 H2 TIP3A 692 33.435 20.298 18.658 1.00 0.00 H -ATOM 2077 O1 TIP3A 693 12.121 19.969 23.136 1.00 0.00 O -ATOM 2078 H1 TIP3A 693 11.500 19.309 22.832 1.00 0.00 H -ATOM 2079 H2 TIP3A 693 11.902 20.754 22.633 1.00 0.00 H -ATOM 2080 O1 TIP3A 694 51.397 40.738 25.053 1.00 0.00 O -ATOM 2081 H1 TIP3A 694 51.300 40.138 25.792 1.00 0.00 H -ATOM 2082 H2 TIP3A 694 50.555 41.190 24.998 1.00 0.00 H -ATOM 2083 O1 TIP3A 695 19.621 38.817 56.797 1.00 0.00 O -ATOM 2084 H1 TIP3A 695 20.510 38.552 56.565 1.00 0.00 H -ATOM 2085 H2 TIP3A 695 19.738 39.497 57.462 1.00 0.00 H -ATOM 2086 O1 TIP3A 696 0.731 29.707 44.327 1.00 0.00 O -ATOM 2087 H1 TIP3A 696 0.023 29.072 44.428 1.00 0.00 H -ATOM 2088 H2 TIP3A 696 1.315 29.535 45.066 1.00 0.00 H -ATOM 2089 O1 TIP3A 697 53.420 12.954 43.369 1.00 0.00 O -ATOM 2090 H1 TIP3A 697 52.993 12.505 42.640 1.00 0.00 H -ATOM 2091 H2 TIP3A 697 53.675 13.805 43.011 1.00 0.00 H -ATOM 2092 O1 TIP3A 698 20.566 11.417 47.203 1.00 0.00 O -ATOM 2093 H1 TIP3A 698 20.894 12.315 47.215 1.00 0.00 H -ATOM 2094 H2 TIP3A 698 20.794 11.090 46.332 1.00 0.00 H -ATOM 2095 O1 TIP3A 699 34.242 31.168 34.296 1.00 0.00 O -ATOM 2096 H1 TIP3A 699 34.138 31.999 33.834 1.00 0.00 H -ATOM 2097 H2 TIP3A 699 34.951 30.722 33.832 1.00 0.00 H -ATOM 2098 O1 TIP3A 700 48.834 34.405 38.549 1.00 0.00 O -ATOM 2099 H1 TIP3A 700 49.134 33.561 38.886 1.00 0.00 H -ATOM 2100 H2 TIP3A 700 49.419 34.592 37.815 1.00 0.00 H -ATOM 2101 O1 TIP3A 701 54.172 55.671 23.910 1.00 0.00 O -ATOM 2102 H1 TIP3A 701 54.198 55.941 24.828 1.00 0.00 H -ATOM 2103 H2 TIP3A 701 54.935 55.102 23.806 1.00 0.00 H -ATOM 2104 O1 TIP3A 702 27.184 46.159 14.325 1.00 0.00 O -ATOM 2105 H1 TIP3A 702 27.390 46.149 13.391 1.00 0.00 H -ATOM 2106 H2 TIP3A 702 27.444 45.292 14.638 1.00 0.00 H -ATOM 2107 O1 TIP3A 703 25.969 57.469 21.643 1.00 0.00 O -ATOM 2108 H1 TIP3A 703 26.124 56.616 22.046 1.00 0.00 H -ATOM 2109 H2 TIP3A 703 26.720 58.000 21.909 1.00 0.00 H -ATOM 2110 O1 TIP3A 704 20.738 23.754 20.573 1.00 0.00 O -ATOM 2111 H1 TIP3A 704 20.999 23.548 21.470 1.00 0.00 H -ATOM 2112 H2 TIP3A 704 21.387 23.311 20.026 1.00 0.00 H -ATOM 2113 O1 TIP3A 705 13.906 5.272 30.349 1.00 0.00 O -ATOM 2114 H1 TIP3A 705 14.494 5.299 29.596 1.00 0.00 H -ATOM 2115 H2 TIP3A 705 13.751 4.340 30.501 1.00 0.00 H -ATOM 2116 O1 TIP3A 706 49.512 10.059 50.857 1.00 0.00 O -ATOM 2117 H1 TIP3A 706 49.269 10.227 49.947 1.00 0.00 H -ATOM 2118 H2 TIP3A 706 49.889 9.179 50.847 1.00 0.00 H -ATOM 2119 O1 TIP3A 707 16.237 49.227 15.936 1.00 0.00 O -ATOM 2120 H1 TIP3A 707 16.171 49.708 15.113 1.00 0.00 H -ATOM 2121 H2 TIP3A 707 16.372 49.904 16.600 1.00 0.00 H -ATOM 2122 O1 TIP3A 708 1.048 33.411 23.553 1.00 0.00 O -ATOM 2123 H1 TIP3A 708 0.949 33.416 22.601 1.00 0.00 H -ATOM 2124 H2 TIP3A 708 1.100 34.337 23.794 1.00 0.00 H -ATOM 2125 O1 TIP3A 709 30.425 22.364 41.613 1.00 0.00 O -ATOM 2126 H1 TIP3A 709 31.091 22.964 41.948 1.00 0.00 H -ATOM 2127 H2 TIP3A 709 29.716 22.409 42.255 1.00 0.00 H -ATOM 2128 O1 TIP3A 710 29.700 55.874 49.699 1.00 0.00 O -ATOM 2129 H1 TIP3A 710 30.269 56.630 49.842 1.00 0.00 H -ATOM 2130 H2 TIP3A 710 28.812 56.229 49.753 1.00 0.00 H -ATOM 2131 O1 TIP3A 711 8.246 51.170 26.185 1.00 0.00 O -ATOM 2132 H1 TIP3A 711 7.903 51.329 25.306 1.00 0.00 H -ATOM 2133 H2 TIP3A 711 7.582 51.534 26.771 1.00 0.00 H -ATOM 2134 O1 TIP3A 712 54.902 8.496 0.718 1.00 0.00 O -ATOM 2135 H1 TIP3A 712 55.587 7.843 0.860 1.00 0.00 H -ATOM 2136 H2 TIP3A 712 54.378 8.140 -0.000 1.00 0.00 H -ATOM 2137 O1 TIP3A 713 2.633 49.072 0.917 1.00 0.00 O -ATOM 2138 H1 TIP3A 713 2.448 48.869 0.001 1.00 0.00 H -ATOM 2139 H2 TIP3A 713 3.588 49.115 0.966 1.00 0.00 H -ATOM 2140 O1 TIP3A 714 56.121 27.731 17.938 1.00 0.00 O -ATOM 2141 H1 TIP3A 714 57.046 27.972 17.896 1.00 0.00 H -ATOM 2142 H2 TIP3A 714 55.723 28.399 18.497 1.00 0.00 H -ATOM 2143 O1 TIP3A 715 10.998 48.008 46.871 1.00 0.00 O -ATOM 2144 H1 TIP3A 715 11.486 47.872 47.683 1.00 0.00 H -ATOM 2145 H2 TIP3A 715 10.604 48.875 46.970 1.00 0.00 H -ATOM 2146 O1 TIP3A 716 37.955 41.045 29.196 1.00 0.00 O -ATOM 2147 H1 TIP3A 716 37.060 41.325 29.386 1.00 0.00 H -ATOM 2148 H2 TIP3A 716 37.890 40.585 28.359 1.00 0.00 H -ATOM 2149 O1 TIP3A 717 23.834 55.350 19.972 1.00 0.00 O -ATOM 2150 H1 TIP3A 717 24.487 56.049 19.941 1.00 0.00 H -ATOM 2151 H2 TIP3A 717 23.983 54.847 19.171 1.00 0.00 H -ATOM 2152 O1 TIP3A 718 3.913 51.645 14.080 1.00 0.00 O -ATOM 2153 H1 TIP3A 718 3.766 51.357 13.180 1.00 0.00 H -ATOM 2154 H2 TIP3A 718 3.885 50.840 14.598 1.00 0.00 H -ATOM 2155 O1 TIP3A 719 2.186 8.025 9.494 1.00 0.00 O -ATOM 2156 H1 TIP3A 719 3.141 7.969 9.468 1.00 0.00 H -ATOM 2157 H2 TIP3A 719 1.890 7.383 8.848 1.00 0.00 H -ATOM 2158 O1 TIP3A 720 38.962 5.773 39.752 1.00 0.00 O -ATOM 2159 H1 TIP3A 720 38.944 6.618 39.304 1.00 0.00 H -ATOM 2160 H2 TIP3A 720 38.949 5.126 39.046 1.00 0.00 H -ATOM 2161 O1 TIP3A 721 56.140 17.009 14.294 1.00 0.00 O -ATOM 2162 H1 TIP3A 721 56.989 16.648 14.042 1.00 0.00 H -ATOM 2163 H2 TIP3A 721 56.188 17.093 15.247 1.00 0.00 H -ATOM 2164 O1 TIP3A 722 42.324 7.365 52.328 1.00 0.00 O -ATOM 2165 H1 TIP3A 722 42.843 8.092 52.670 1.00 0.00 H -ATOM 2166 H2 TIP3A 722 42.131 6.825 53.095 1.00 0.00 H -ATOM 2167 O1 TIP3A 723 13.902 26.811 26.497 1.00 0.00 O -ATOM 2168 H1 TIP3A 723 13.950 25.861 26.602 1.00 0.00 H -ATOM 2169 H2 TIP3A 723 13.339 26.940 25.734 1.00 0.00 H -ATOM 2170 O1 TIP3A 724 24.108 51.290 31.438 1.00 0.00 O -ATOM 2171 H1 TIP3A 724 23.997 51.360 32.386 1.00 0.00 H -ATOM 2172 H2 TIP3A 724 23.294 50.891 31.130 1.00 0.00 H -ATOM 2173 O1 TIP3A 725 41.146 10.488 27.470 1.00 0.00 O -ATOM 2174 H1 TIP3A 725 40.645 10.207 26.705 1.00 0.00 H -ATOM 2175 H2 TIP3A 725 40.736 10.032 28.206 1.00 0.00 H -ATOM 2176 O1 TIP3A 726 46.400 35.649 6.784 1.00 0.00 O -ATOM 2177 H1 TIP3A 726 46.815 36.497 6.941 1.00 0.00 H -ATOM 2178 H2 TIP3A 726 45.590 35.680 7.295 1.00 0.00 H -ATOM 2179 O1 TIP3A 727 27.657 54.333 34.154 1.00 0.00 O -ATOM 2180 H1 TIP3A 727 27.898 55.150 33.719 1.00 0.00 H -ATOM 2181 H2 TIP3A 727 27.984 53.646 33.572 1.00 0.00 H -ATOM 2182 O1 TIP3A 728 40.693 21.668 1.235 1.00 0.00 O -ATOM 2183 H1 TIP3A 728 41.370 21.065 1.542 1.00 0.00 H -ATOM 2184 H2 TIP3A 728 40.127 21.803 1.995 1.00 0.00 H -ATOM 2185 O1 TIP3A 729 23.198 45.501 50.089 1.00 0.00 O -ATOM 2186 H1 TIP3A 729 23.247 44.654 50.531 1.00 0.00 H -ATOM 2187 H2 TIP3A 729 24.077 45.870 50.178 1.00 0.00 H -ATOM 2188 O1 TIP3A 730 18.299 9.443 28.371 1.00 0.00 O -ATOM 2189 H1 TIP3A 730 18.722 9.557 29.221 1.00 0.00 H -ATOM 2190 H2 TIP3A 730 18.932 9.785 27.739 1.00 0.00 H -ATOM 2191 O1 TIP3A 731 30.228 42.395 6.854 1.00 0.00 O -ATOM 2192 H1 TIP3A 731 30.231 42.657 7.774 1.00 0.00 H -ATOM 2193 H2 TIP3A 731 31.144 42.200 6.657 1.00 0.00 H -ATOM 2194 O1 TIP3A 732 6.877 32.528 15.525 1.00 0.00 O -ATOM 2195 H1 TIP3A 732 7.052 33.450 15.713 1.00 0.00 H -ATOM 2196 H2 TIP3A 732 5.958 32.405 15.766 1.00 0.00 H -ATOM 2197 O1 TIP3A 733 20.103 13.502 3.331 1.00 0.00 O -ATOM 2198 H1 TIP3A 733 20.241 13.335 2.399 1.00 0.00 H -ATOM 2199 H2 TIP3A 733 20.983 13.640 3.683 1.00 0.00 H -ATOM 2200 O1 TIP3A 734 41.513 51.480 7.357 1.00 0.00 O -ATOM 2201 H1 TIP3A 734 41.767 50.695 6.873 1.00 0.00 H -ATOM 2202 H2 TIP3A 734 40.764 51.828 6.873 1.00 0.00 H -ATOM 2203 O1 TIP3A 735 35.735 15.235 41.267 1.00 0.00 O -ATOM 2204 H1 TIP3A 735 36.286 14.485 41.045 1.00 0.00 H -ATOM 2205 H2 TIP3A 735 36.217 15.692 41.957 1.00 0.00 H -ATOM 2206 O1 TIP3A 736 4.924 56.903 40.739 1.00 0.00 O -ATOM 2207 H1 TIP3A 736 5.092 55.990 40.970 1.00 0.00 H -ATOM 2208 H2 TIP3A 736 4.385 56.856 39.949 1.00 0.00 H -ATOM 2209 O1 TIP3A 737 17.376 2.229 4.349 1.00 0.00 O -ATOM 2210 H1 TIP3A 737 17.052 2.220 5.249 1.00 0.00 H -ATOM 2211 H2 TIP3A 737 17.982 1.489 4.304 1.00 0.00 H -ATOM 2212 O1 TIP3A 738 9.127 12.640 1.451 1.00 0.00 O -ATOM 2213 H1 TIP3A 738 8.505 12.823 2.154 1.00 0.00 H -ATOM 2214 H2 TIP3A 738 8.663 12.038 0.869 1.00 0.00 H -ATOM 2215 O1 TIP3A 739 19.786 15.501 55.352 1.00 0.00 O -ATOM 2216 H1 TIP3A 739 19.137 15.691 54.676 1.00 0.00 H -ATOM 2217 H2 TIP3A 739 19.295 15.042 56.035 1.00 0.00 H -ATOM 2218 O1 TIP3A 740 35.349 15.415 47.164 1.00 0.00 O -ATOM 2219 H1 TIP3A 740 35.313 14.739 46.488 1.00 0.00 H -ATOM 2220 H2 TIP3A 740 34.514 15.878 47.084 1.00 0.00 H -ATOM 2221 O1 TIP3A 741 22.926 30.030 37.820 1.00 0.00 O -ATOM 2222 H1 TIP3A 741 22.466 29.438 38.412 1.00 0.00 H -ATOM 2223 H2 TIP3A 741 22.263 30.668 37.553 1.00 0.00 H -ATOM 2224 O1 TIP3A 742 24.819 15.708 35.287 1.00 0.00 O -ATOM 2225 H1 TIP3A 742 24.868 14.757 35.377 1.00 0.00 H -ATOM 2226 H2 TIP3A 742 24.102 15.854 34.669 1.00 0.00 H -ATOM 2227 O1 TIP3A 743 56.629 40.752 40.353 1.00 0.00 O -ATOM 2228 H1 TIP3A 743 56.366 41.643 40.123 1.00 0.00 H -ATOM 2229 H2 TIP3A 743 57.585 40.784 40.384 1.00 0.00 H -ATOM 2230 O1 TIP3A 744 50.806 33.543 35.456 1.00 0.00 O -ATOM 2231 H1 TIP3A 744 50.981 34.329 34.939 1.00 0.00 H -ATOM 2232 H2 TIP3A 744 51.255 32.841 34.984 1.00 0.00 H -ATOM 2233 O1 TIP3A 745 34.466 35.103 21.486 1.00 0.00 O -ATOM 2234 H1 TIP3A 745 33.519 34.968 21.492 1.00 0.00 H -ATOM 2235 H2 TIP3A 745 34.600 35.842 20.891 1.00 0.00 H -ATOM 2236 O1 TIP3A 746 44.379 29.292 7.703 1.00 0.00 O -ATOM 2237 H1 TIP3A 746 45.124 28.872 8.133 1.00 0.00 H -ATOM 2238 H2 TIP3A 746 44.534 29.157 6.768 1.00 0.00 H -ATOM 2239 O1 TIP3A 747 30.186 4.430 44.606 1.00 0.00 O -ATOM 2240 H1 TIP3A 747 30.861 3.754 44.648 1.00 0.00 H -ATOM 2241 H2 TIP3A 747 29.537 4.162 45.257 1.00 0.00 H -ATOM 2242 O1 TIP3A 748 17.886 41.231 37.395 1.00 0.00 O -ATOM 2243 H1 TIP3A 748 18.346 40.800 38.115 1.00 0.00 H -ATOM 2244 H2 TIP3A 748 18.114 40.715 36.621 1.00 0.00 H -ATOM 2245 O1 TIP3A 749 2.622 53.456 23.816 1.00 0.00 O -ATOM 2246 H1 TIP3A 749 2.649 53.894 24.666 1.00 0.00 H -ATOM 2247 H2 TIP3A 749 2.790 54.153 23.181 1.00 0.00 H -ATOM 2248 O1 TIP3A 750 33.147 16.091 18.297 1.00 0.00 O -ATOM 2249 H1 TIP3A 750 33.949 15.571 18.323 1.00 0.00 H -ATOM 2250 H2 TIP3A 750 32.517 15.537 17.835 1.00 0.00 H -ATOM 2251 O1 TIP3A 751 24.557 50.293 9.517 1.00 0.00 O -ATOM 2252 H1 TIP3A 751 25.264 49.714 9.799 1.00 0.00 H -ATOM 2253 H2 TIP3A 751 24.979 50.915 8.923 1.00 0.00 H -ATOM 2254 O1 TIP3A 752 4.095 41.951 43.944 1.00 0.00 O -ATOM 2255 H1 TIP3A 752 4.415 41.642 44.791 1.00 0.00 H -ATOM 2256 H2 TIP3A 752 4.015 42.899 44.049 1.00 0.00 H -ATOM 2257 O1 TIP3A 753 55.509 28.205 36.846 1.00 0.00 O -ATOM 2258 H1 TIP3A 753 55.596 29.156 36.790 1.00 0.00 H -ATOM 2259 H2 TIP3A 753 54.572 28.057 36.977 1.00 0.00 H -ATOM 2260 O1 TIP3A 754 22.985 53.611 34.951 1.00 0.00 O -ATOM 2261 H1 TIP3A 754 23.354 52.906 34.421 1.00 0.00 H -ATOM 2262 H2 TIP3A 754 22.098 53.314 35.161 1.00 0.00 H -ATOM 2263 O1 TIP3A 755 28.828 32.008 7.054 1.00 0.00 O -ATOM 2264 H1 TIP3A 755 28.578 31.161 6.687 1.00 0.00 H -ATOM 2265 H2 TIP3A 755 28.261 32.639 6.610 1.00 0.00 H -ATOM 2266 O1 TIP3A 756 52.944 9.145 41.206 1.00 0.00 O -ATOM 2267 H1 TIP3A 756 52.192 8.572 41.058 1.00 0.00 H -ATOM 2268 H2 TIP3A 756 53.137 9.053 42.139 1.00 0.00 H -ATOM 2269 O1 TIP3A 757 36.989 22.191 44.311 1.00 0.00 O -ATOM 2270 H1 TIP3A 757 37.507 22.053 45.104 1.00 0.00 H -ATOM 2271 H2 TIP3A 757 36.115 22.419 44.632 1.00 0.00 H -ATOM 2272 O1 TIP3A 758 20.429 33.670 48.556 1.00 0.00 O -ATOM 2273 H1 TIP3A 758 19.657 33.147 48.343 1.00 0.00 H -ATOM 2274 H2 TIP3A 758 20.991 33.077 49.056 1.00 0.00 H -ATOM 2275 O1 TIP3A 759 0.008 25.402 28.045 1.00 0.00 O -ATOM 2276 H1 TIP3A 759 0.462 25.611 28.861 1.00 0.00 H -ATOM 2277 H2 TIP3A 759 0.496 25.875 27.370 1.00 0.00 H -ATOM 2278 O1 TIP3A 760 6.851 6.579 28.584 1.00 0.00 O -ATOM 2279 H1 TIP3A 760 7.660 6.078 28.679 1.00 0.00 H -ATOM 2280 H2 TIP3A 760 6.157 5.963 28.821 1.00 0.00 H -ATOM 2281 O1 TIP3A 761 17.494 12.983 8.618 1.00 0.00 O -ATOM 2282 H1 TIP3A 761 17.190 13.873 8.792 1.00 0.00 H -ATOM 2283 H2 TIP3A 761 18.116 13.079 7.896 1.00 0.00 H -ATOM 2284 O1 TIP3A 762 19.761 12.120 13.817 1.00 0.00 O -ATOM 2285 H1 TIP3A 762 19.831 12.202 12.866 1.00 0.00 H -ATOM 2286 H2 TIP3A 762 20.039 11.222 14.001 1.00 0.00 H -ATOM 2287 O1 TIP3A 763 32.970 21.622 11.708 1.00 0.00 O -ATOM 2288 H1 TIP3A 763 33.865 21.410 11.447 1.00 0.00 H -ATOM 2289 H2 TIP3A 763 32.437 20.922 11.329 1.00 0.00 H -ATOM 2290 O1 TIP3A 764 25.976 8.524 17.083 1.00 0.00 O -ATOM 2291 H1 TIP3A 764 25.978 7.567 17.065 1.00 0.00 H -ATOM 2292 H2 TIP3A 764 25.305 8.775 16.447 1.00 0.00 H -ATOM 2293 O1 TIP3A 765 8.267 38.482 38.029 1.00 0.00 O -ATOM 2294 H1 TIP3A 765 8.765 37.707 37.772 1.00 0.00 H -ATOM 2295 H2 TIP3A 765 7.855 38.783 37.218 1.00 0.00 H -ATOM 2296 O1 TIP3A 766 36.380 39.163 38.960 1.00 0.00 O -ATOM 2297 H1 TIP3A 766 36.143 39.907 39.513 1.00 0.00 H -ATOM 2298 H2 TIP3A 766 35.844 39.268 38.173 1.00 0.00 H -ATOM 2299 O1 TIP3A 767 33.151 2.301 17.004 1.00 0.00 O -ATOM 2300 H1 TIP3A 767 33.801 1.616 17.160 1.00 0.00 H -ATOM 2301 H2 TIP3A 767 32.536 1.910 16.382 1.00 0.00 H -ATOM 2302 O1 TIP3A 768 16.463 1.286 30.323 1.00 0.00 O -ATOM 2303 H1 TIP3A 768 16.871 0.593 30.840 1.00 0.00 H -ATOM 2304 H2 TIP3A 768 17.064 2.028 30.398 1.00 0.00 H -ATOM 2305 O1 TIP3A 769 14.238 22.818 6.096 1.00 0.00 O -ATOM 2306 H1 TIP3A 769 14.619 23.449 6.706 1.00 0.00 H -ATOM 2307 H2 TIP3A 769 13.869 22.134 6.657 1.00 0.00 H -ATOM 2308 O1 TIP3A 770 51.477 31.445 57.684 1.00 0.00 O -ATOM 2309 H1 TIP3A 770 51.045 32.244 57.982 1.00 0.00 H -ATOM 2310 H2 TIP3A 770 51.893 31.691 56.857 1.00 0.00 H -ATOM 2311 O1 TIP3A 771 4.115 15.134 7.864 1.00 0.00 O -ATOM 2312 H1 TIP3A 771 4.716 14.403 7.724 1.00 0.00 H -ATOM 2313 H2 TIP3A 771 4.673 15.912 7.841 1.00 0.00 H -ATOM 2314 O1 TIP3A 772 52.607 56.548 45.626 1.00 0.00 O -ATOM 2315 H1 TIP3A 772 52.409 56.594 44.692 1.00 0.00 H -ATOM 2316 H2 TIP3A 772 53.492 56.908 45.702 1.00 0.00 H -ATOM 2317 O1 TIP3A 773 23.466 3.481 14.991 1.00 0.00 O -ATOM 2318 H1 TIP3A 773 22.934 2.755 14.666 1.00 0.00 H -ATOM 2319 H2 TIP3A 773 24.040 3.705 14.257 1.00 0.00 H -ATOM 2320 O1 TIP3A 774 18.469 27.255 36.643 1.00 0.00 O -ATOM 2321 H1 TIP3A 774 18.430 28.210 36.663 1.00 0.00 H -ATOM 2322 H2 TIP3A 774 17.811 26.974 37.281 1.00 0.00 H -ATOM 2323 O1 TIP3A 775 47.273 46.960 42.029 1.00 0.00 O -ATOM 2324 H1 TIP3A 775 47.766 47.343 42.754 1.00 0.00 H -ATOM 2325 H2 TIP3A 775 47.855 46.288 41.671 1.00 0.00 H -ATOM 2326 O1 TIP3A 776 14.427 46.761 33.149 1.00 0.00 O -ATOM 2327 H1 TIP3A 776 15.262 46.326 33.319 1.00 0.00 H -ATOM 2328 H2 TIP3A 776 13.819 46.047 32.954 1.00 0.00 H -ATOM 2329 O1 TIP3A 777 14.564 11.897 45.790 1.00 0.00 O -ATOM 2330 H1 TIP3A 777 14.722 12.645 45.215 1.00 0.00 H -ATOM 2331 H2 TIP3A 777 14.693 11.132 45.230 1.00 0.00 H -ATOM 2332 O1 TIP3A 778 31.156 48.501 45.572 1.00 0.00 O -ATOM 2333 H1 TIP3A 778 31.678 48.195 44.831 1.00 0.00 H -ATOM 2334 H2 TIP3A 778 31.474 47.990 46.317 1.00 0.00 H -ATOM 2335 O1 TIP3A 779 4.001 28.466 31.846 1.00 0.00 O -ATOM 2336 H1 TIP3A 779 4.863 28.881 31.846 1.00 0.00 H -ATOM 2337 H2 TIP3A 779 3.515 28.921 32.534 1.00 0.00 H -ATOM 2338 O1 TIP3A 780 19.000 54.786 38.467 1.00 0.00 O -ATOM 2339 H1 TIP3A 780 19.090 53.842 38.597 1.00 0.00 H -ATOM 2340 H2 TIP3A 780 19.900 55.104 38.390 1.00 0.00 H -ATOM 2341 O1 TIP3A 781 28.988 27.833 39.482 1.00 0.00 O -ATOM 2342 H1 TIP3A 781 28.046 27.671 39.457 1.00 0.00 H -ATOM 2343 H2 TIP3A 781 29.162 28.362 38.703 1.00 0.00 H -ATOM 2344 O1 TIP3A 782 24.735 31.282 3.507 1.00 0.00 O -ATOM 2345 H1 TIP3A 782 25.467 31.700 3.959 1.00 0.00 H -ATOM 2346 H2 TIP3A 782 25.003 31.259 2.587 1.00 0.00 H -ATOM 2347 O1 TIP3A 783 29.703 28.973 48.259 1.00 0.00 O -ATOM 2348 H1 TIP3A 783 30.618 29.250 48.230 1.00 0.00 H -ATOM 2349 H2 TIP3A 783 29.644 28.271 47.611 1.00 0.00 H -ATOM 2350 O1 TIP3A 784 48.177 48.037 28.135 1.00 0.00 O -ATOM 2351 H1 TIP3A 784 48.431 48.796 28.659 1.00 0.00 H -ATOM 2352 H2 TIP3A 784 48.862 47.389 28.302 1.00 0.00 H -ATOM 2353 O1 TIP3A 785 52.556 0.913 12.986 1.00 0.00 O -ATOM 2354 H1 TIP3A 785 52.082 1.350 12.279 1.00 0.00 H -ATOM 2355 H2 TIP3A 785 52.161 0.042 13.038 1.00 0.00 H -ATOM 2356 O1 TIP3A 786 33.190 35.050 47.493 1.00 0.00 O -ATOM 2357 H1 TIP3A 786 32.511 35.703 47.328 1.00 0.00 H -ATOM 2358 H2 TIP3A 786 32.769 34.405 48.063 1.00 0.00 H -ATOM 2359 O1 TIP3A 787 4.430 19.121 56.900 1.00 0.00 O -ATOM 2360 H1 TIP3A 787 3.628 19.036 57.414 1.00 0.00 H -ATOM 2361 H2 TIP3A 787 4.153 19.552 56.091 1.00 0.00 H -ATOM 2362 O1 TIP3A 788 34.148 31.641 46.084 1.00 0.00 O -ATOM 2363 H1 TIP3A 788 34.596 30.887 45.702 1.00 0.00 H -ATOM 2364 H2 TIP3A 788 33.259 31.596 45.731 1.00 0.00 H -ATOM 2365 O1 TIP3A 789 49.859 13.428 1.813 1.00 0.00 O -ATOM 2366 H1 TIP3A 789 49.418 14.261 1.979 1.00 0.00 H -ATOM 2367 H2 TIP3A 789 49.393 12.796 2.362 1.00 0.00 H -ATOM 2368 O1 TIP3A 790 4.439 1.949 23.188 1.00 0.00 O -ATOM 2369 H1 TIP3A 790 4.246 1.723 24.097 1.00 0.00 H -ATOM 2370 H2 TIP3A 790 4.519 2.904 23.189 1.00 0.00 H -ATOM 2371 O1 TIP3A 791 25.024 3.682 57.991 1.00 0.00 O -ATOM 2372 H1 TIP3A 791 25.821 4.211 58.001 1.00 0.00 H -ATOM 2373 H2 TIP3A 791 25.249 2.920 57.456 1.00 0.00 H -ATOM 2374 O1 TIP3A 792 23.983 22.717 41.831 1.00 0.00 O -ATOM 2375 H1 TIP3A 792 23.669 23.403 41.242 1.00 0.00 H -ATOM 2376 H2 TIP3A 792 24.582 22.197 41.295 1.00 0.00 H -ATOM 2377 O1 TIP3A 793 39.648 54.353 30.427 1.00 0.00 O -ATOM 2378 H1 TIP3A 793 40.177 54.189 29.648 1.00 0.00 H -ATOM 2379 H2 TIP3A 793 39.585 53.501 30.859 1.00 0.00 H -ATOM 2380 O1 TIP3A 794 4.014 40.263 13.042 1.00 0.00 O -ATOM 2381 H1 TIP3A 794 4.900 39.902 13.030 1.00 0.00 H -ATOM 2382 H2 TIP3A 794 3.479 39.573 13.436 1.00 0.00 H -ATOM 2383 O1 TIP3A 795 12.256 43.471 49.840 1.00 0.00 O -ATOM 2384 H1 TIP3A 795 11.359 43.147 49.917 1.00 0.00 H -ATOM 2385 H2 TIP3A 795 12.803 42.706 50.024 1.00 0.00 H -ATOM 2386 O1 TIP3A 796 57.213 2.861 33.307 1.00 0.00 O -ATOM 2387 H1 TIP3A 796 56.456 2.674 32.753 1.00 0.00 H -ATOM 2388 H2 TIP3A 796 57.422 2.022 33.720 1.00 0.00 H -ATOM 2389 O1 TIP3A 797 15.299 6.094 15.100 1.00 0.00 O -ATOM 2390 H1 TIP3A 797 15.152 6.343 16.012 1.00 0.00 H -ATOM 2391 H2 TIP3A 797 14.936 6.819 14.592 1.00 0.00 H -ATOM 2392 O1 TIP3A 798 10.384 51.831 38.987 1.00 0.00 O -ATOM 2393 H1 TIP3A 798 9.928 52.623 39.269 1.00 0.00 H -ATOM 2394 H2 TIP3A 798 9.735 51.351 38.472 1.00 0.00 H -ATOM 2395 O1 TIP3A 799 13.086 56.445 10.928 1.00 0.00 O -ATOM 2396 H1 TIP3A 799 13.191 55.531 11.189 1.00 0.00 H -ATOM 2397 H2 TIP3A 799 13.005 56.415 9.974 1.00 0.00 H -ATOM 2398 O1 TIP3A 800 -0.001 25.783 5.769 1.00 0.00 O -ATOM 2399 H1 TIP3A 800 0.387 25.327 5.023 1.00 0.00 H -ATOM 2400 H2 TIP3A 800 0.110 25.178 6.503 1.00 0.00 H -ATOM 2401 O1 TIP3A 801 12.583 2.861 32.255 1.00 0.00 O -ATOM 2402 H1 TIP3A 801 13.223 3.506 32.554 1.00 0.00 H -ATOM 2403 H2 TIP3A 801 11.870 2.916 32.893 1.00 0.00 H -ATOM 2404 O1 TIP3A 802 27.122 34.259 44.405 1.00 0.00 O -ATOM 2405 H1 TIP3A 802 26.281 34.608 44.696 1.00 0.00 H -ATOM 2406 H2 TIP3A 802 27.209 34.563 43.501 1.00 0.00 H -ATOM 2407 O1 TIP3A 803 43.335 21.937 49.936 1.00 0.00 O -ATOM 2408 H1 TIP3A 803 44.231 22.144 50.200 1.00 0.00 H -ATOM 2409 H2 TIP3A 803 43.432 21.450 49.118 1.00 0.00 H -ATOM 2410 O1 TIP3A 804 30.929 39.221 45.002 1.00 0.00 O -ATOM 2411 H1 TIP3A 804 31.316 38.600 44.386 1.00 0.00 H -ATOM 2412 H2 TIP3A 804 31.675 39.572 45.490 1.00 0.00 H -ATOM 2413 O1 TIP3A 805 35.775 3.157 37.851 1.00 0.00 O -ATOM 2414 H1 TIP3A 805 36.016 2.458 38.458 1.00 0.00 H -ATOM 2415 H2 TIP3A 805 36.597 3.611 37.667 1.00 0.00 H -ATOM 2416 O1 TIP3A 806 6.330 29.014 42.167 1.00 0.00 O -ATOM 2417 H1 TIP3A 806 7.247 29.164 42.394 1.00 0.00 H -ATOM 2418 H2 TIP3A 806 6.173 29.581 41.411 1.00 0.00 H -ATOM 2419 O1 TIP3A 807 3.053 32.291 22.930 1.00 0.00 O -ATOM 2420 H1 TIP3A 807 3.212 31.397 22.629 1.00 0.00 H -ATOM 2421 H2 TIP3A 807 3.904 32.592 23.248 1.00 0.00 H -ATOM 2422 O1 TIP3A 808 35.451 55.695 39.832 1.00 0.00 O -ATOM 2423 H1 TIP3A 808 36.379 55.859 39.994 1.00 0.00 H -ATOM 2424 H2 TIP3A 808 35.440 54.930 39.256 1.00 0.00 H -ATOM 2425 O1 TIP3A 809 14.379 45.556 22.883 1.00 0.00 O -ATOM 2426 H1 TIP3A 809 14.358 46.109 22.103 1.00 0.00 H -ATOM 2427 H2 TIP3A 809 14.198 44.674 22.558 1.00 0.00 H -ATOM 2428 O1 TIP3A 810 30.139 10.117 25.293 1.00 0.00 O -ATOM 2429 H1 TIP3A 810 30.573 10.869 24.892 1.00 0.00 H -ATOM 2430 H2 TIP3A 810 29.280 10.081 24.870 1.00 0.00 H -ATOM 2431 O1 TIP3A 811 50.852 19.424 5.915 1.00 0.00 O -ATOM 2432 H1 TIP3A 811 50.589 19.887 6.709 1.00 0.00 H -ATOM 2433 H2 TIP3A 811 51.094 18.547 6.216 1.00 0.00 H -ATOM 2434 O1 TIP3A 812 37.105 38.695 13.704 1.00 0.00 O -ATOM 2435 H1 TIP3A 812 37.373 38.004 14.310 1.00 0.00 H -ATOM 2436 H2 TIP3A 812 36.390 38.308 13.199 1.00 0.00 H -ATOM 2437 O1 TIP3A 813 17.480 34.221 32.389 1.00 0.00 O -ATOM 2438 H1 TIP3A 813 18.381 34.450 32.160 1.00 0.00 H -ATOM 2439 H2 TIP3A 813 17.259 33.498 31.801 1.00 0.00 H -ATOM 2440 O1 TIP3A 814 21.187 31.547 16.284 1.00 0.00 O -ATOM 2441 H1 TIP3A 814 20.912 32.294 15.754 1.00 0.00 H -ATOM 2442 H2 TIP3A 814 20.451 31.389 16.877 1.00 0.00 H -ATOM 2443 O1 TIP3A 815 50.684 16.642 15.516 1.00 0.00 O -ATOM 2444 H1 TIP3A 815 51.271 16.640 16.271 1.00 0.00 H -ATOM 2445 H2 TIP3A 815 49.811 16.519 15.889 1.00 0.00 H -ATOM 2446 O1 TIP3A 816 43.322 50.185 35.887 1.00 0.00 O -ATOM 2447 H1 TIP3A 816 43.846 50.984 35.932 1.00 0.00 H -ATOM 2448 H2 TIP3A 816 43.950 49.498 35.662 1.00 0.00 H -ATOM 2449 O1 TIP3A 817 32.213 50.356 1.709 1.00 0.00 O -ATOM 2450 H1 TIP3A 817 32.027 51.239 2.025 1.00 0.00 H -ATOM 2451 H2 TIP3A 817 32.482 50.479 0.798 1.00 0.00 H -ATOM 2452 O1 TIP3A 818 19.984 15.254 47.754 1.00 0.00 O -ATOM 2453 H1 TIP3A 818 19.279 14.616 47.652 1.00 0.00 H -ATOM 2454 H2 TIP3A 818 19.621 16.071 47.410 1.00 0.00 H -ATOM 2455 O1 TIP3A 819 4.090 2.665 4.770 1.00 0.00 O -ATOM 2456 H1 TIP3A 819 4.509 3.013 5.556 1.00 0.00 H -ATOM 2457 H2 TIP3A 819 3.305 2.222 5.092 1.00 0.00 H -ATOM 2458 O1 TIP3A 820 43.758 9.965 43.052 1.00 0.00 O -ATOM 2459 H1 TIP3A 820 42.815 9.952 43.212 1.00 0.00 H -ATOM 2460 H2 TIP3A 820 44.047 9.072 43.245 1.00 0.00 H -ATOM 2461 O1 TIP3A 821 8.395 4.353 48.384 1.00 0.00 O -ATOM 2462 H1 TIP3A 821 8.198 3.440 48.587 1.00 0.00 H -ATOM 2463 H2 TIP3A 821 8.135 4.836 49.169 1.00 0.00 H -ATOM 2464 O1 TIP3A 822 26.434 27.322 4.542 1.00 0.00 O -ATOM 2465 H1 TIP3A 822 26.626 28.259 4.538 1.00 0.00 H -ATOM 2466 H2 TIP3A 822 27.016 26.961 5.212 1.00 0.00 H -ATOM 2467 O1 TIP3A 823 38.855 54.370 19.178 1.00 0.00 O -ATOM 2468 H1 TIP3A 823 39.631 54.719 19.615 1.00 0.00 H -ATOM 2469 H2 TIP3A 823 38.909 53.423 19.312 1.00 0.00 H -ATOM 2470 O1 TIP3A 824 43.618 46.665 18.236 1.00 0.00 O -ATOM 2471 H1 TIP3A 824 44.160 45.878 18.283 1.00 0.00 H -ATOM 2472 H2 TIP3A 824 43.893 47.099 17.427 1.00 0.00 H -ATOM 2473 O1 TIP3A 825 10.149 47.352 34.285 1.00 0.00 O -ATOM 2474 H1 TIP3A 825 10.854 47.846 34.701 1.00 0.00 H -ATOM 2475 H2 TIP3A 825 10.539 47.007 33.481 1.00 0.00 H -ATOM 2476 O1 TIP3A 826 45.437 46.269 23.217 1.00 0.00 O -ATOM 2477 H1 TIP3A 826 45.956 47.063 23.342 1.00 0.00 H -ATOM 2478 H2 TIP3A 826 44.528 46.563 23.284 1.00 0.00 H -ATOM 2479 O1 TIP3A 827 42.032 15.487 39.725 1.00 0.00 O -ATOM 2480 H1 TIP3A 827 41.078 15.424 39.765 1.00 0.00 H -ATOM 2481 H2 TIP3A 827 42.343 14.738 40.235 1.00 0.00 H -ATOM 2482 O1 TIP3A 828 27.947 51.987 57.367 1.00 0.00 O -ATOM 2483 H1 TIP3A 828 28.467 51.260 57.027 1.00 0.00 H -ATOM 2484 H2 TIP3A 828 28.511 52.402 58.020 1.00 0.00 H -ATOM 2485 O1 TIP3A 829 31.693 49.951 41.545 1.00 0.00 O -ATOM 2486 H1 TIP3A 829 30.860 50.156 41.969 1.00 0.00 H -ATOM 2487 H2 TIP3A 829 31.512 49.168 41.024 1.00 0.00 H -ATOM 2488 O1 TIP3A 830 22.532 36.792 29.614 1.00 0.00 O -ATOM 2489 H1 TIP3A 830 22.546 35.837 29.567 1.00 0.00 H -ATOM 2490 H2 TIP3A 830 21.992 37.062 28.870 1.00 0.00 H -ATOM 2491 O1 TIP3A 831 27.009 32.370 39.191 1.00 0.00 O -ATOM 2492 H1 TIP3A 831 26.398 32.584 39.896 1.00 0.00 H -ATOM 2493 H2 TIP3A 831 27.862 32.312 39.622 1.00 0.00 H -ATOM 2494 O1 TIP3A 832 20.583 52.283 22.569 1.00 0.00 O -ATOM 2495 H1 TIP3A 832 20.583 51.401 22.940 1.00 0.00 H -ATOM 2496 H2 TIP3A 832 20.972 52.178 21.700 1.00 0.00 H -ATOM 2497 O1 TIP3A 833 13.390 51.649 23.425 1.00 0.00 O -ATOM 2498 H1 TIP3A 833 12.557 51.181 23.391 1.00 0.00 H -ATOM 2499 H2 TIP3A 833 13.287 52.368 22.801 1.00 0.00 H -ATOM 2500 O1 TIP3A 834 28.760 26.033 26.593 1.00 0.00 O -ATOM 2501 H1 TIP3A 834 28.954 25.727 25.708 1.00 0.00 H -ATOM 2502 H2 TIP3A 834 29.492 26.610 26.814 1.00 0.00 H -ATOM 2503 O1 TIP3A 835 2.222 56.267 38.743 1.00 0.00 O -ATOM 2504 H1 TIP3A 835 2.083 55.377 38.420 1.00 0.00 H -ATOM 2505 H2 TIP3A 835 2.337 56.794 37.951 1.00 0.00 H -ATOM 2506 O1 TIP3A 836 12.745 7.546 23.660 1.00 0.00 O -ATOM 2507 H1 TIP3A 836 13.425 6.893 23.499 1.00 0.00 H -ATOM 2508 H2 TIP3A 836 12.819 8.156 22.926 1.00 0.00 H -ATOM 2509 O1 TIP3A 837 21.251 34.916 7.830 1.00 0.00 O -ATOM 2510 H1 TIP3A 837 21.760 35.709 7.993 1.00 0.00 H -ATOM 2511 H2 TIP3A 837 20.684 34.832 8.598 1.00 0.00 H -ATOM 2512 O1 TIP3A 838 25.739 48.151 14.765 1.00 0.00 O -ATOM 2513 H1 TIP3A 838 24.833 48.457 14.781 1.00 0.00 H -ATOM 2514 H2 TIP3A 838 25.767 47.449 15.416 1.00 0.00 H -ATOM 2515 O1 TIP3A 839 48.456 56.881 49.088 1.00 0.00 O -ATOM 2516 H1 TIP3A 839 49.120 56.629 48.447 1.00 0.00 H -ATOM 2517 H2 TIP3A 839 47.982 57.601 48.672 1.00 0.00 H -ATOM 2518 O1 TIP3A 840 33.971 39.055 5.973 1.00 0.00 O -ATOM 2519 H1 TIP3A 840 34.736 38.680 6.408 1.00 0.00 H -ATOM 2520 H2 TIP3A 840 33.674 38.368 5.375 1.00 0.00 H -ATOM 2521 O1 TIP3A 841 31.975 53.940 54.338 1.00 0.00 O -ATOM 2522 H1 TIP3A 841 32.264 54.779 53.982 1.00 0.00 H -ATOM 2523 H2 TIP3A 841 31.174 53.737 53.854 1.00 0.00 H -ATOM 2524 O1 TIP3A 842 6.553 6.912 12.496 1.00 0.00 O -ATOM 2525 H1 TIP3A 842 6.507 6.127 11.952 1.00 0.00 H -ATOM 2526 H2 TIP3A 842 5.772 7.414 12.260 1.00 0.00 H -ATOM 2527 O1 TIP3A 843 28.104 5.618 13.743 1.00 0.00 O -ATOM 2528 H1 TIP3A 843 27.691 4.779 13.541 1.00 0.00 H -ATOM 2529 H2 TIP3A 843 27.918 6.167 12.981 1.00 0.00 H -ATOM 2530 O1 TIP3A 844 25.710 5.224 45.266 1.00 0.00 O -ATOM 2531 H1 TIP3A 844 25.616 5.633 46.125 1.00 0.00 H -ATOM 2532 H2 TIP3A 844 26.219 4.431 45.431 1.00 0.00 H -ATOM 2533 O1 TIP3A 845 23.705 16.466 11.223 1.00 0.00 O -ATOM 2534 H1 TIP3A 845 23.197 15.992 10.566 1.00 0.00 H -ATOM 2535 H2 TIP3A 845 23.210 16.352 12.036 1.00 0.00 H -ATOM 2536 O1 TIP3A 846 24.663 51.880 18.156 1.00 0.00 O -ATOM 2537 H1 TIP3A 846 24.191 51.067 18.336 1.00 0.00 H -ATOM 2538 H2 TIP3A 846 24.785 52.282 19.016 1.00 0.00 H -ATOM 2539 O1 TIP3A 847 21.278 30.265 13.453 1.00 0.00 O -ATOM 2540 H1 TIP3A 847 20.647 30.434 14.152 1.00 0.00 H -ATOM 2541 H2 TIP3A 847 21.194 31.018 12.867 1.00 0.00 H -ATOM 2542 O1 TIP3A 848 47.401 22.039 2.663 1.00 0.00 O -ATOM 2543 H1 TIP3A 848 47.072 21.893 3.550 1.00 0.00 H -ATOM 2544 H2 TIP3A 848 46.647 21.871 2.097 1.00 0.00 H -ATOM 2545 O1 TIP3A 849 6.266 13.096 54.677 1.00 0.00 O -ATOM 2546 H1 TIP3A 849 7.074 12.649 54.927 1.00 0.00 H -ATOM 2547 H2 TIP3A 849 5.579 12.443 54.817 1.00 0.00 H -ATOM 2548 O1 TIP3A 850 36.047 1.663 14.645 1.00 0.00 O -ATOM 2549 H1 TIP3A 850 35.456 1.059 15.092 1.00 0.00 H -ATOM 2550 H2 TIP3A 850 35.642 1.806 13.789 1.00 0.00 H -ATOM 2551 O1 TIP3A 851 37.358 23.053 8.036 1.00 0.00 O -ATOM 2552 H1 TIP3A 851 38.288 23.248 8.150 1.00 0.00 H -ATOM 2553 H2 TIP3A 851 37.298 22.103 8.135 1.00 0.00 H -ATOM 2554 O1 TIP3A 852 9.915 24.253 12.899 1.00 0.00 O -ATOM 2555 H1 TIP3A 852 9.145 23.824 13.271 1.00 0.00 H -ATOM 2556 H2 TIP3A 852 9.593 25.101 12.591 1.00 0.00 H -ATOM 2557 O1 TIP3A 853 44.038 44.253 16.132 1.00 0.00 O -ATOM 2558 H1 TIP3A 853 44.123 45.204 16.182 1.00 0.00 H -ATOM 2559 H2 TIP3A 853 44.711 43.983 15.508 1.00 0.00 H -ATOM 2560 O1 TIP3A 854 16.671 30.094 35.477 1.00 0.00 O -ATOM 2561 H1 TIP3A 854 17.460 30.129 36.017 1.00 0.00 H -ATOM 2562 H2 TIP3A 854 16.994 30.157 34.577 1.00 0.00 H -ATOM 2563 O1 TIP3A 855 24.615 48.088 7.718 1.00 0.00 O -ATOM 2564 H1 TIP3A 855 25.350 48.699 7.684 1.00 0.00 H -ATOM 2565 H2 TIP3A 855 23.987 48.501 8.311 1.00 0.00 H -ATOM 2566 O1 TIP3A 856 26.431 2.807 4.919 1.00 0.00 O -ATOM 2567 H1 TIP3A 856 25.512 2.859 5.180 1.00 0.00 H -ATOM 2568 H2 TIP3A 856 26.585 3.610 4.419 1.00 0.00 H -ATOM 2569 O1 TIP3A 857 28.091 26.689 10.527 1.00 0.00 O -ATOM 2570 H1 TIP3A 857 28.583 25.875 10.633 1.00 0.00 H -ATOM 2571 H2 TIP3A 857 27.663 26.822 11.373 1.00 0.00 H -ATOM 2572 O1 TIP3A 858 35.924 23.568 48.402 1.00 0.00 O -ATOM 2573 H1 TIP3A 858 35.182 23.863 48.929 1.00 0.00 H -ATOM 2574 H2 TIP3A 858 36.349 24.375 48.111 1.00 0.00 H -ATOM 2575 O1 TIP3A 859 43.958 51.376 44.054 1.00 0.00 O -ATOM 2576 H1 TIP3A 859 44.504 51.147 44.805 1.00 0.00 H -ATOM 2577 H2 TIP3A 859 44.466 52.033 43.578 1.00 0.00 H -ATOM 2578 O1 TIP3A 860 13.658 28.627 37.237 1.00 0.00 O -ATOM 2579 H1 TIP3A 860 13.038 28.287 37.881 1.00 0.00 H -ATOM 2580 H2 TIP3A 860 13.538 29.577 37.267 1.00 0.00 H -ATOM 2581 O1 TIP3A 861 9.735 23.425 16.170 1.00 0.00 O -ATOM 2582 H1 TIP3A 861 10.025 23.494 15.261 1.00 0.00 H -ATOM 2583 H2 TIP3A 861 10.541 23.288 16.669 1.00 0.00 H -ATOM 2584 O1 TIP3A 862 20.497 2.910 8.240 1.00 0.00 O -ATOM 2585 H1 TIP3A 862 19.566 3.129 8.244 1.00 0.00 H -ATOM 2586 H2 TIP3A 862 20.793 3.134 7.357 1.00 0.00 H -ATOM 2587 O1 TIP3A 863 0.970 22.724 25.706 1.00 0.00 O -ATOM 2588 H1 TIP3A 863 1.893 22.491 25.617 1.00 0.00 H -ATOM 2589 H2 TIP3A 863 0.965 23.457 26.323 1.00 0.00 H -ATOM 2590 O1 TIP3A 864 46.670 10.975 43.349 1.00 0.00 O -ATOM 2591 H1 TIP3A 864 45.780 11.238 43.581 1.00 0.00 H -ATOM 2592 H2 TIP3A 864 46.851 11.437 42.529 1.00 0.00 H -ATOM 2593 O1 TIP3A 865 12.680 1.346 21.784 1.00 0.00 O -ATOM 2594 H1 TIP3A 865 13.540 1.480 21.388 1.00 0.00 H -ATOM 2595 H2 TIP3A 865 12.249 0.708 21.215 1.00 0.00 H -ATOM 2596 O1 TIP3A 866 35.605 44.237 1.457 1.00 0.00 O -ATOM 2597 H1 TIP3A 866 35.456 45.144 1.190 1.00 0.00 H -ATOM 2598 H2 TIP3A 866 35.386 44.222 2.389 1.00 0.00 H -ATOM 2599 O1 TIP3A 867 44.023 10.323 23.219 1.00 0.00 O -ATOM 2600 H1 TIP3A 867 44.452 9.800 23.895 1.00 0.00 H -ATOM 2601 H2 TIP3A 867 43.924 11.190 23.613 1.00 0.00 H -ATOM 2602 O1 TIP3A 868 14.752 45.452 26.829 1.00 0.00 O -ATOM 2603 H1 TIP3A 868 14.151 46.155 26.586 1.00 0.00 H -ATOM 2604 H2 TIP3A 868 14.353 44.659 26.470 1.00 0.00 H -ATOM 2605 O1 TIP3A 869 5.351 20.174 21.828 1.00 0.00 O -ATOM 2606 H1 TIP3A 869 6.269 20.140 21.562 1.00 0.00 H -ATOM 2607 H2 TIP3A 869 4.994 19.324 21.567 1.00 0.00 H -ATOM 2608 O1 TIP3A 870 52.557 54.168 52.445 1.00 0.00 O -ATOM 2609 H1 TIP3A 870 51.698 53.788 52.625 1.00 0.00 H -ATOM 2610 H2 TIP3A 870 52.366 55.018 52.048 1.00 0.00 H -ATOM 2611 O1 TIP3A 871 22.170 3.249 11.353 1.00 0.00 O -ATOM 2612 H1 TIP3A 871 22.990 3.741 11.355 1.00 0.00 H -ATOM 2613 H2 TIP3A 871 21.624 3.690 12.005 1.00 0.00 H -ATOM 2614 O1 TIP3A 872 57.069 48.173 35.829 1.00 0.00 O -ATOM 2615 H1 TIP3A 872 57.926 48.505 36.095 1.00 0.00 H -ATOM 2616 H2 TIP3A 872 56.984 48.434 34.912 1.00 0.00 H -ATOM 2617 O1 TIP3A 873 25.390 50.198 13.467 1.00 0.00 O -ATOM 2618 H1 TIP3A 873 26.089 50.428 14.078 1.00 0.00 H -ATOM 2619 H2 TIP3A 873 24.781 50.936 13.510 1.00 0.00 H -ATOM 2620 O1 TIP3A 874 9.387 1.829 15.773 1.00 0.00 O -ATOM 2621 H1 TIP3A 874 9.613 1.218 16.473 1.00 0.00 H -ATOM 2622 H2 TIP3A 874 10.010 2.550 15.871 1.00 0.00 H -ATOM 2623 O1 TIP3A 875 21.558 47.931 44.004 1.00 0.00 O -ATOM 2624 H1 TIP3A 875 22.254 48.491 43.662 1.00 0.00 H -ATOM 2625 H2 TIP3A 875 20.826 48.061 43.399 1.00 0.00 H -ATOM 2626 O1 TIP3A 876 6.544 37.344 5.223 1.00 0.00 O -ATOM 2627 H1 TIP3A 876 5.631 37.612 5.324 1.00 0.00 H -ATOM 2628 H2 TIP3A 876 6.907 37.963 4.590 1.00 0.00 H -ATOM 2629 O1 TIP3A 877 23.491 38.480 56.806 1.00 0.00 O -ATOM 2630 H1 TIP3A 877 24.398 38.531 57.107 1.00 0.00 H -ATOM 2631 H2 TIP3A 877 22.968 38.661 57.588 1.00 0.00 H -ATOM 2632 O1 TIP3A 878 23.512 46.964 27.455 1.00 0.00 O -ATOM 2633 H1 TIP3A 878 22.623 47.207 27.198 1.00 0.00 H -ATOM 2634 H2 TIP3A 878 24.075 47.575 26.978 1.00 0.00 H -ATOM 2635 O1 TIP3A 879 30.328 20.832 43.670 1.00 0.00 O -ATOM 2636 H1 TIP3A 879 31.263 20.769 43.480 1.00 0.00 H -ATOM 2637 H2 TIP3A 879 30.272 21.453 44.397 1.00 0.00 H -ATOM 2638 O1 TIP3A 880 12.127 16.087 25.577 1.00 0.00 O -ATOM 2639 H1 TIP3A 880 12.838 15.960 26.204 1.00 0.00 H -ATOM 2640 H2 TIP3A 880 12.322 15.474 24.867 1.00 0.00 H -ATOM 2641 O1 TIP3A 881 20.112 29.232 11.334 1.00 0.00 O -ATOM 2642 H1 TIP3A 881 20.511 28.758 10.605 1.00 0.00 H -ATOM 2643 H2 TIP3A 881 19.975 30.118 10.998 1.00 0.00 H -ATOM 2644 O1 TIP3A 882 4.050 23.138 28.658 1.00 0.00 O -ATOM 2645 H1 TIP3A 882 4.083 24.092 28.595 1.00 0.00 H -ATOM 2646 H2 TIP3A 882 4.686 22.832 28.010 1.00 0.00 H -ATOM 2647 O1 TIP3A 883 21.534 58.009 55.631 1.00 0.00 O -ATOM 2648 H1 TIP3A 883 21.001 57.957 56.425 1.00 0.00 H -ATOM 2649 H2 TIP3A 883 22.434 57.903 55.939 1.00 0.00 H -ATOM 2650 O1 TIP3A 884 13.103 48.344 9.839 1.00 0.00 O -ATOM 2651 H1 TIP3A 884 12.327 47.996 9.401 1.00 0.00 H -ATOM 2652 H2 TIP3A 884 13.826 48.142 9.245 1.00 0.00 H -ATOM 2653 O1 TIP3A 885 41.547 53.741 11.390 1.00 0.00 O -ATOM 2654 H1 TIP3A 885 41.033 53.516 12.165 1.00 0.00 H -ATOM 2655 H2 TIP3A 885 41.000 54.366 10.913 1.00 0.00 H -ATOM 2656 O1 TIP3A 886 -0.005 36.610 19.667 1.00 0.00 O -ATOM 2657 H1 TIP3A 886 0.771 37.007 20.060 1.00 0.00 H -ATOM 2658 H2 TIP3A 886 0.143 36.675 18.723 1.00 0.00 H -ATOM 2659 O1 TIP3A 887 6.968 51.757 0.095 1.00 0.00 O -ATOM 2660 H1 TIP3A 887 6.138 51.493 0.490 1.00 0.00 H -ATOM 2661 H2 TIP3A 887 6.890 52.705 -0.015 1.00 0.00 H -ATOM 2662 O1 TIP3A 888 32.622 8.380 26.234 1.00 0.00 O -ATOM 2663 H1 TIP3A 888 32.229 7.941 26.988 1.00 0.00 H -ATOM 2664 H2 TIP3A 888 31.918 8.921 25.876 1.00 0.00 H -ATOM 2665 O1 TIP3A 889 47.444 30.301 38.497 1.00 0.00 O -ATOM 2666 H1 TIP3A 889 46.533 30.038 38.365 1.00 0.00 H -ATOM 2667 H2 TIP3A 889 47.897 30.002 37.709 1.00 0.00 H -ATOM 2668 O1 TIP3A 890 52.780 11.684 49.195 1.00 0.00 O -ATOM 2669 H1 TIP3A 890 52.198 10.938 49.060 1.00 0.00 H -ATOM 2670 H2 TIP3A 890 52.193 12.438 49.264 1.00 0.00 H -ATOM 2671 O1 TIP3A 891 37.259 17.564 26.274 1.00 0.00 O -ATOM 2672 H1 TIP3A 891 38.134 17.746 25.933 1.00 0.00 H -ATOM 2673 H2 TIP3A 891 36.665 17.930 25.618 1.00 0.00 H -ATOM 2674 O1 TIP3A 892 39.070 2.102 10.845 1.00 0.00 O -ATOM 2675 H1 TIP3A 892 38.427 2.728 10.515 1.00 0.00 H -ATOM 2676 H2 TIP3A 892 39.906 2.406 10.489 1.00 0.00 H -ATOM 2677 O1 TIP3A 893 0.401 52.615 1.574 1.00 0.00 O -ATOM 2678 H1 TIP3A 893 0.268 51.858 1.005 1.00 0.00 H -ATOM 2679 H2 TIP3A 893 -0.001 52.364 2.406 1.00 0.00 H -ATOM 2680 O1 TIP3A 894 45.677 36.837 39.007 1.00 0.00 O -ATOM 2681 H1 TIP3A 894 45.434 37.127 39.885 1.00 0.00 H -ATOM 2682 H2 TIP3A 894 46.004 35.946 39.129 1.00 0.00 H -ATOM 2683 O1 TIP3A 895 6.443 6.943 6.726 1.00 0.00 O -ATOM 2684 H1 TIP3A 895 6.216 6.085 6.369 1.00 0.00 H -ATOM 2685 H2 TIP3A 895 6.984 7.349 6.048 1.00 0.00 H -ATOM 2686 O1 TIP3A 896 9.181 11.551 39.908 1.00 0.00 O -ATOM 2687 H1 TIP3A 896 8.840 11.729 40.783 1.00 0.00 H -ATOM 2688 H2 TIP3A 896 8.402 11.496 39.353 1.00 0.00 H -ATOM 2689 O1 TIP3A 897 53.299 18.005 23.458 1.00 0.00 O -ATOM 2690 H1 TIP3A 897 54.185 17.716 23.243 1.00 0.00 H -ATOM 2691 H2 TIP3A 897 52.756 17.665 22.746 1.00 0.00 H -ATOM 2692 O1 TIP3A 898 10.635 53.558 21.551 1.00 0.00 O -ATOM 2693 H1 TIP3A 898 11.208 54.271 21.272 1.00 0.00 H -ATOM 2694 H2 TIP3A 898 11.214 52.949 22.009 1.00 0.00 H -ATOM 2695 O1 TIP3A 899 53.505 51.321 16.011 1.00 0.00 O -ATOM 2696 H1 TIP3A 899 53.190 50.432 16.172 1.00 0.00 H -ATOM 2697 H2 TIP3A 899 53.031 51.862 16.644 1.00 0.00 H -ATOM 2698 O1 TIP3A 900 1.354 48.292 19.048 1.00 0.00 O -ATOM 2699 H1 TIP3A 900 2.013 48.902 18.718 1.00 0.00 H -ATOM 2700 H2 TIP3A 900 1.757 47.428 18.952 1.00 0.00 H -ATOM 2701 O1 TIP3A 901 28.064 34.617 36.637 1.00 0.00 O -ATOM 2702 H1 TIP3A 901 27.481 35.373 36.689 1.00 0.00 H -ATOM 2703 H2 TIP3A 901 28.254 34.524 35.703 1.00 0.00 H -ATOM 2704 O1 TIP3A 902 36.673 57.109 47.611 1.00 0.00 O -ATOM 2705 H1 TIP3A 902 36.584 57.569 46.778 1.00 0.00 H -ATOM 2706 H2 TIP3A 902 36.679 56.181 47.374 1.00 0.00 H -ATOM 2707 O1 TIP3A 903 51.551 49.475 56.442 1.00 0.00 O -ATOM 2708 H1 TIP3A 903 51.023 49.625 57.226 1.00 0.00 H -ATOM 2709 H2 TIP3A 903 50.990 48.948 55.872 1.00 0.00 H -ATOM 2710 O1 TIP3A 904 41.292 50.821 22.654 1.00 0.00 O -ATOM 2711 H1 TIP3A 904 41.026 50.228 21.952 1.00 0.00 H -ATOM 2712 H2 TIP3A 904 42.249 50.809 22.629 1.00 0.00 H -ATOM 2713 O1 TIP3A 905 39.655 48.710 25.131 1.00 0.00 O -ATOM 2714 H1 TIP3A 905 39.055 47.994 24.926 1.00 0.00 H -ATOM 2715 H2 TIP3A 905 39.672 49.244 24.336 1.00 0.00 H -ATOM 2716 O1 TIP3A 906 36.327 11.919 55.734 1.00 0.00 O -ATOM 2717 H1 TIP3A 906 36.278 12.835 56.003 1.00 0.00 H -ATOM 2718 H2 TIP3A 906 36.252 11.943 54.780 1.00 0.00 H -ATOM 2719 O1 TIP3A 907 55.962 16.340 9.205 1.00 0.00 O -ATOM 2720 H1 TIP3A 907 56.896 16.161 9.100 1.00 0.00 H -ATOM 2721 H2 TIP3A 907 55.815 16.298 10.150 1.00 0.00 H -ATOM 2722 O1 TIP3A 908 22.224 40.718 5.846 1.00 0.00 O -ATOM 2723 H1 TIP3A 908 21.886 39.999 6.378 1.00 0.00 H -ATOM 2724 H2 TIP3A 908 21.446 41.111 5.450 1.00 0.00 H -ATOM 2725 O1 TIP3A 909 51.782 26.154 49.003 1.00 0.00 O -ATOM 2726 H1 TIP3A 909 52.726 26.219 49.144 1.00 0.00 H -ATOM 2727 H2 TIP3A 909 51.686 25.479 48.331 1.00 0.00 H -ATOM 2728 O1 TIP3A 910 36.177 46.710 55.329 1.00 0.00 O -ATOM 2729 H1 TIP3A 910 35.910 47.604 55.118 1.00 0.00 H -ATOM 2730 H2 TIP3A 910 36.644 46.408 54.549 1.00 0.00 H -ATOM 2731 O1 TIP3A 911 26.896 50.703 43.442 1.00 0.00 O -ATOM 2732 H1 TIP3A 911 27.562 51.238 43.872 1.00 0.00 H -ATOM 2733 H2 TIP3A 911 27.372 49.936 43.124 1.00 0.00 H -ATOM 2734 O1 TIP3A 912 7.532 32.648 36.561 1.00 0.00 O -ATOM 2735 H1 TIP3A 912 8.041 32.627 35.751 1.00 0.00 H -ATOM 2736 H2 TIP3A 912 6.619 32.623 36.271 1.00 0.00 H -ATOM 2737 O1 TIP3A 913 31.862 18.202 19.683 1.00 0.00 O -ATOM 2738 H1 TIP3A 913 31.612 17.721 18.894 1.00 0.00 H -ATOM 2739 H2 TIP3A 913 32.567 17.680 20.068 1.00 0.00 H -ATOM 2740 O1 TIP3A 914 48.499 3.652 20.227 1.00 0.00 O -ATOM 2741 H1 TIP3A 914 47.598 3.969 20.277 1.00 0.00 H -ATOM 2742 H2 TIP3A 914 48.965 4.328 19.734 1.00 0.00 H -ATOM 2743 O1 TIP3A 915 28.665 17.107 43.089 1.00 0.00 O -ATOM 2744 H1 TIP3A 915 28.050 17.731 43.473 1.00 0.00 H -ATOM 2745 H2 TIP3A 915 28.600 17.256 42.145 1.00 0.00 H -ATOM 2746 O1 TIP3A 916 55.395 18.174 19.998 1.00 0.00 O -ATOM 2747 H1 TIP3A 916 55.214 19.006 19.561 1.00 0.00 H -ATOM 2748 H2 TIP3A 916 54.653 18.049 20.591 1.00 0.00 H -ATOM 2749 O1 TIP3A 917 57.703 51.823 30.520 1.00 0.00 O -ATOM 2750 H1 TIP3A 917 57.270 52.643 30.753 1.00 0.00 H -ATOM 2751 H2 TIP3A 917 57.209 51.496 29.768 1.00 0.00 H -ATOM 2752 O1 TIP3A 918 26.619 55.158 40.019 1.00 0.00 O -ATOM 2753 H1 TIP3A 918 26.442 54.291 40.383 1.00 0.00 H -ATOM 2754 H2 TIP3A 918 27.138 55.599 40.692 1.00 0.00 H -ATOM 2755 O1 TIP3A 919 52.181 57.999 24.038 1.00 0.00 O -ATOM 2756 H1 TIP3A 919 51.817 57.117 23.964 1.00 0.00 H -ATOM 2757 H2 TIP3A 919 53.076 57.863 24.353 1.00 0.00 H -ATOM 2758 O1 TIP3A 920 0.746 15.727 19.283 1.00 0.00 O -ATOM 2759 H1 TIP3A 920 0.461 16.626 19.120 1.00 0.00 H -ATOM 2760 H2 TIP3A 920 -0.000 15.314 19.719 1.00 0.00 H -ATOM 2761 O1 TIP3A 921 18.467 24.556 50.796 1.00 0.00 O -ATOM 2762 H1 TIP3A 921 17.523 24.406 50.819 1.00 0.00 H -ATOM 2763 H2 TIP3A 921 18.824 23.937 51.434 1.00 0.00 H -ATOM 2764 O1 TIP3A 922 53.787 36.885 56.335 1.00 0.00 O -ATOM 2765 H1 TIP3A 922 53.447 36.417 57.096 1.00 0.00 H -ATOM 2766 H2 TIP3A 922 53.119 36.763 55.660 1.00 0.00 H -ATOM 2767 O1 TIP3A 923 2.114 4.894 9.217 1.00 0.00 O -ATOM 2768 H1 TIP3A 923 3.043 5.059 9.376 1.00 0.00 H -ATOM 2769 H2 TIP3A 923 1.662 5.395 9.897 1.00 0.00 H -ATOM 2770 O1 TIP3A 924 16.125 47.287 4.584 1.00 0.00 O -ATOM 2771 H1 TIP3A 924 16.736 47.106 3.870 1.00 0.00 H -ATOM 2772 H2 TIP3A 924 15.260 47.255 4.174 1.00 0.00 H -ATOM 2773 O1 TIP3A 925 42.215 14.448 4.037 1.00 0.00 O -ATOM 2774 H1 TIP3A 925 42.350 15.336 4.367 1.00 0.00 H -ATOM 2775 H2 TIP3A 925 41.811 14.570 3.178 1.00 0.00 H -ATOM 2776 O1 TIP3A 926 22.975 16.625 20.819 1.00 0.00 O -ATOM 2777 H1 TIP3A 926 22.112 16.297 21.069 1.00 0.00 H -ATOM 2778 H2 TIP3A 926 23.235 16.075 20.079 1.00 0.00 H -ATOM 2779 O1 TIP3A 927 39.612 39.250 12.709 1.00 0.00 O -ATOM 2780 H1 TIP3A 927 40.279 39.703 12.196 1.00 0.00 H -ATOM 2781 H2 TIP3A 927 39.362 38.499 12.169 1.00 0.00 H -ATOM 2782 O1 TIP3A 928 36.830 31.754 47.525 1.00 0.00 O -ATOM 2783 H1 TIP3A 928 36.004 31.306 47.346 1.00 0.00 H -ATOM 2784 H2 TIP3A 928 36.949 32.345 46.781 1.00 0.00 H -ATOM 2785 O1 TIP3A 929 49.429 36.777 57.188 1.00 0.00 O -ATOM 2786 H1 TIP3A 929 48.478 36.718 57.110 1.00 0.00 H -ATOM 2787 H2 TIP3A 929 49.696 35.920 57.524 1.00 0.00 H -ATOM 2788 O1 TIP3A 930 46.494 37.598 50.446 1.00 0.00 O -ATOM 2789 H1 TIP3A 930 45.911 36.843 50.370 1.00 0.00 H -ATOM 2790 H2 TIP3A 930 47.130 37.343 51.116 1.00 0.00 H -ATOM 2791 O1 TIP3A 931 9.853 55.573 1.112 1.00 0.00 O -ATOM 2792 H1 TIP3A 931 9.489 56.364 0.717 1.00 0.00 H -ATOM 2793 H2 TIP3A 931 9.263 54.871 0.832 1.00 0.00 H -ATOM 2794 O1 TIP3A 932 3.125 28.121 11.031 1.00 0.00 O -ATOM 2795 H1 TIP3A 932 2.832 27.211 11.034 1.00 0.00 H -ATOM 2796 H2 TIP3A 932 3.802 28.157 11.707 1.00 0.00 H -ATOM 2797 O1 TIP3A 933 9.337 2.162 23.860 1.00 0.00 O -ATOM 2798 H1 TIP3A 933 9.662 3.025 23.607 1.00 0.00 H -ATOM 2799 H2 TIP3A 933 9.411 2.149 24.815 1.00 0.00 H -ATOM 2800 O1 TIP3A 934 4.082 27.103 27.163 1.00 0.00 O -ATOM 2801 H1 TIP3A 934 4.026 27.070 26.208 1.00 0.00 H -ATOM 2802 H2 TIP3A 934 3.472 26.428 27.463 1.00 0.00 H -ATOM 2803 O1 TIP3A 935 52.788 47.866 36.996 1.00 0.00 O -ATOM 2804 H1 TIP3A 935 53.396 48.583 37.173 1.00 0.00 H -ATOM 2805 H2 TIP3A 935 53.208 47.361 36.299 1.00 0.00 H -ATOM 2806 O1 TIP3A 936 20.577 45.816 55.650 1.00 0.00 O -ATOM 2807 H1 TIP3A 936 20.837 46.630 56.080 1.00 0.00 H -ATOM 2808 H2 TIP3A 936 20.986 45.859 54.786 1.00 0.00 H -ATOM 2809 O1 TIP3A 937 5.427 55.905 36.804 1.00 0.00 O -ATOM 2810 H1 TIP3A 937 5.490 55.045 37.217 1.00 0.00 H -ATOM 2811 H2 TIP3A 937 5.037 56.466 37.475 1.00 0.00 H -ATOM 2812 O1 TIP3A 938 56.823 42.301 17.607 1.00 0.00 O -ATOM 2813 H1 TIP3A 938 57.769 42.404 17.506 1.00 0.00 H -ATOM 2814 H2 TIP3A 938 56.577 42.964 18.253 1.00 0.00 H -ATOM 2815 O1 TIP3A 939 18.183 52.422 17.573 1.00 0.00 O -ATOM 2816 H1 TIP3A 939 18.749 53.156 17.809 1.00 0.00 H -ATOM 2817 H2 TIP3A 939 17.298 52.724 17.782 1.00 0.00 H -ATOM 2818 O1 TIP3A 940 43.337 41.185 44.784 1.00 0.00 O -ATOM 2819 H1 TIP3A 940 42.752 41.873 45.100 1.00 0.00 H -ATOM 2820 H2 TIP3A 940 43.819 40.904 45.562 1.00 0.00 H -ATOM 2821 O1 TIP3A 941 54.783 17.928 6.505 1.00 0.00 O -ATOM 2822 H1 TIP3A 941 54.813 17.514 5.643 1.00 0.00 H -ATOM 2823 H2 TIP3A 941 53.884 18.246 6.587 1.00 0.00 H -ATOM 2824 O1 TIP3A 942 4.394 18.854 24.682 1.00 0.00 O -ATOM 2825 H1 TIP3A 942 4.682 19.330 23.903 1.00 0.00 H -ATOM 2826 H2 TIP3A 942 4.085 19.536 25.279 1.00 0.00 H -ATOM 2827 O1 TIP3A 943 51.228 17.757 55.667 1.00 0.00 O -ATOM 2828 H1 TIP3A 943 51.201 17.759 56.624 1.00 0.00 H -ATOM 2829 H2 TIP3A 943 50.871 16.904 55.419 1.00 0.00 H -ATOM 2830 O1 TIP3A 944 42.182 5.395 37.033 1.00 0.00 O -ATOM 2831 H1 TIP3A 944 42.286 6.338 37.152 1.00 0.00 H -ATOM 2832 H2 TIP3A 944 42.615 5.008 37.795 1.00 0.00 H -ATOM 2833 O1 TIP3A 945 10.075 8.671 34.336 1.00 0.00 O -ATOM 2834 H1 TIP3A 945 10.965 8.332 34.247 1.00 0.00 H -ATOM 2835 H2 TIP3A 945 10.191 9.594 34.564 1.00 0.00 H -ATOM 2836 O1 TIP3A 946 48.097 21.066 19.244 1.00 0.00 O -ATOM 2837 H1 TIP3A 946 47.696 21.233 18.392 1.00 0.00 H -ATOM 2838 H2 TIP3A 946 48.668 20.310 19.096 1.00 0.00 H -ATOM 2839 O1 TIP3A 947 25.946 23.564 52.391 1.00 0.00 O -ATOM 2840 H1 TIP3A 947 25.136 23.309 51.950 1.00 0.00 H -ATOM 2841 H2 TIP3A 947 25.740 24.403 52.805 1.00 0.00 H -ATOM 2842 O1 TIP3A 948 39.636 4.596 10.236 1.00 0.00 O -ATOM 2843 H1 TIP3A 948 39.953 4.340 9.370 1.00 0.00 H -ATOM 2844 H2 TIP3A 948 40.278 5.235 10.548 1.00 0.00 H -ATOM 2845 O1 TIP3A 949 8.053 34.556 38.030 1.00 0.00 O -ATOM 2846 H1 TIP3A 949 8.732 34.346 37.391 1.00 0.00 H -ATOM 2847 H2 TIP3A 949 7.252 34.638 37.511 1.00 0.00 H -ATOM 2848 O1 TIP3A 950 18.585 46.953 20.845 1.00 0.00 O -ATOM 2849 H1 TIP3A 950 18.527 46.651 21.751 1.00 0.00 H -ATOM 2850 H2 TIP3A 950 19.103 46.281 20.401 1.00 0.00 H -ATOM 2851 O1 TIP3A 951 52.095 29.239 25.317 1.00 0.00 O -ATOM 2852 H1 TIP3A 951 51.168 29.137 25.530 1.00 0.00 H -ATOM 2853 H2 TIP3A 951 52.181 30.155 25.051 1.00 0.00 H -ATOM 2854 O1 TIP3A 952 37.601 20.999 3.493 1.00 0.00 O -ATOM 2855 H1 TIP3A 952 37.588 21.386 2.619 1.00 0.00 H -ATOM 2856 H2 TIP3A 952 38.233 21.528 3.981 1.00 0.00 H -ATOM 2857 O1 TIP3A 953 0.531 48.609 51.313 1.00 0.00 O -ATOM 2858 H1 TIP3A 953 0.232 48.745 50.415 1.00 0.00 H -ATOM 2859 H2 TIP3A 953 1.345 48.113 51.222 1.00 0.00 H -ATOM 2860 O1 TIP3A 954 30.301 2.774 3.354 1.00 0.00 O -ATOM 2861 H1 TIP3A 954 30.124 2.107 2.691 1.00 0.00 H -ATOM 2862 H2 TIP3A 954 30.794 3.450 2.889 1.00 0.00 H -ATOM 2863 O1 TIP3A 955 54.632 13.565 53.218 1.00 0.00 O -ATOM 2864 H1 TIP3A 955 54.248 14.363 52.857 1.00 0.00 H -ATOM 2865 H2 TIP3A 955 55.125 13.861 53.984 1.00 0.00 H -ATOM 2866 O1 TIP3A 956 29.946 21.388 38.071 1.00 0.00 O -ATOM 2867 H1 TIP3A 956 29.316 20.779 38.456 1.00 0.00 H -ATOM 2868 H2 TIP3A 956 30.373 20.885 37.376 1.00 0.00 H -ATOM 2869 O1 TIP3A 957 47.476 48.594 44.683 1.00 0.00 O -ATOM 2870 H1 TIP3A 957 46.796 47.921 44.647 1.00 0.00 H -ATOM 2871 H2 TIP3A 957 47.164 49.282 44.094 1.00 0.00 H -ATOM 2872 O1 TIP3A 958 36.298 13.272 7.705 1.00 0.00 O -ATOM 2873 H1 TIP3A 958 36.666 12.407 7.878 1.00 0.00 H -ATOM 2874 H2 TIP3A 958 35.903 13.536 8.536 1.00 0.00 H -ATOM 2875 O1 TIP3A 959 35.962 35.147 42.127 1.00 0.00 O -ATOM 2876 H1 TIP3A 959 35.072 35.493 42.185 1.00 0.00 H -ATOM 2877 H2 TIP3A 959 35.982 34.426 42.757 1.00 0.00 H -ATOM 2878 O1 TIP3A 960 44.582 3.419 22.593 1.00 0.00 O -ATOM 2879 H1 TIP3A 960 44.745 2.920 23.392 1.00 0.00 H -ATOM 2880 H2 TIP3A 960 44.663 4.335 22.861 1.00 0.00 H -ATOM 2881 O1 TIP3A 961 10.889 3.524 21.396 1.00 0.00 O -ATOM 2882 H1 TIP3A 961 10.482 4.193 20.847 1.00 0.00 H -ATOM 2883 H2 TIP3A 961 10.254 2.808 21.414 1.00 0.00 H -ATOM 2884 O1 TIP3A 962 1.844 54.155 13.973 1.00 0.00 O -ATOM 2885 H1 TIP3A 962 2.536 53.553 14.243 1.00 0.00 H -ATOM 2886 H2 TIP3A 962 2.002 54.300 13.040 1.00 0.00 H -ATOM 2887 O1 TIP3A 963 17.168 55.383 40.540 1.00 0.00 O -ATOM 2888 H1 TIP3A 963 17.343 55.888 39.747 1.00 0.00 H -ATOM 2889 H2 TIP3A 963 17.464 55.948 41.255 1.00 0.00 H -ATOM 2890 O1 TIP3A 964 46.327 34.632 27.959 1.00 0.00 O -ATOM 2891 H1 TIP3A 964 45.981 35.523 27.996 1.00 0.00 H -ATOM 2892 H2 TIP3A 964 46.909 34.632 27.198 1.00 0.00 H -ATOM 2893 O1 TIP3A 965 47.575 53.944 56.590 1.00 0.00 O -ATOM 2894 H1 TIP3A 965 48.359 54.483 56.494 1.00 0.00 H -ATOM 2895 H2 TIP3A 965 46.907 54.546 56.919 1.00 0.00 H -ATOM 2896 O1 TIP3A 966 36.114 5.496 11.448 1.00 0.00 O -ATOM 2897 H1 TIP3A 966 35.383 5.290 12.029 1.00 0.00 H -ATOM 2898 H2 TIP3A 966 36.641 6.127 11.939 1.00 0.00 H -ATOM 2899 O1 TIP3A 967 48.670 21.068 28.242 1.00 0.00 O -ATOM 2900 H1 TIP3A 967 49.516 20.809 28.606 1.00 0.00 H -ATOM 2901 H2 TIP3A 967 48.743 22.015 28.116 1.00 0.00 H -ATOM 2902 O1 TIP3A 968 11.780 5.289 40.802 1.00 0.00 O -ATOM 2903 H1 TIP3A 968 12.486 5.870 41.084 1.00 0.00 H -ATOM 2904 H2 TIP3A 968 12.017 4.432 41.159 1.00 0.00 H -ATOM 2905 O1 TIP3A 969 15.533 3.902 16.738 1.00 0.00 O -ATOM 2906 H1 TIP3A 969 15.790 3.736 15.832 1.00 0.00 H -ATOM 2907 H2 TIP3A 969 16.322 3.717 17.249 1.00 0.00 H -ATOM 2908 O1 TIP3A 970 0.576 42.553 35.835 1.00 0.00 O -ATOM 2909 H1 TIP3A 970 0.262 41.771 35.382 1.00 0.00 H -ATOM 2910 H2 TIP3A 970 0.521 42.330 36.765 1.00 0.00 H -ATOM 2911 O1 TIP3A 971 33.489 17.319 1.414 1.00 0.00 O -ATOM 2912 H1 TIP3A 971 32.870 17.314 2.143 1.00 0.00 H -ATOM 2913 H2 TIP3A 971 33.527 18.236 1.138 1.00 0.00 H -ATOM 2914 O1 TIP3A 972 31.063 2.987 17.849 1.00 0.00 O -ATOM 2915 H1 TIP3A 972 30.441 3.583 18.263 1.00 0.00 H -ATOM 2916 H2 TIP3A 972 30.923 2.149 18.290 1.00 0.00 H -ATOM 2917 O1 TIP3A 973 15.314 48.397 31.907 1.00 0.00 O -ATOM 2918 H1 TIP3A 973 14.850 49.233 31.925 1.00 0.00 H -ATOM 2919 H2 TIP3A 973 15.993 48.484 32.578 1.00 0.00 H -ATOM 2920 O1 TIP3A 974 32.831 42.342 23.164 1.00 0.00 O -ATOM 2921 H1 TIP3A 974 32.273 41.566 23.185 1.00 0.00 H -ATOM 2922 H2 TIP3A 974 33.493 42.180 23.837 1.00 0.00 H -ATOM 2923 O1 TIP3A 975 16.449 42.670 53.001 1.00 0.00 O -ATOM 2924 H1 TIP3A 975 16.815 42.019 52.403 1.00 0.00 H -ATOM 2925 H2 TIP3A 975 16.068 42.155 53.713 1.00 0.00 H -ATOM 2926 O1 TIP3A 976 6.798 11.730 20.292 1.00 0.00 O -ATOM 2927 H1 TIP3A 976 7.371 12.481 20.145 1.00 0.00 H -ATOM 2928 H2 TIP3A 976 5.942 12.116 20.486 1.00 0.00 H -ATOM 2929 O1 TIP3A 977 33.435 28.062 46.647 1.00 0.00 O -ATOM 2930 H1 TIP3A 977 34.092 27.962 47.335 1.00 0.00 H -ATOM 2931 H2 TIP3A 977 33.427 29.000 46.457 1.00 0.00 H -ATOM 2932 O1 TIP3A 978 19.988 22.884 42.285 1.00 0.00 O -ATOM 2933 H1 TIP3A 978 19.116 23.207 42.510 1.00 0.00 H -ATOM 2934 H2 TIP3A 978 20.233 22.322 43.020 1.00 0.00 H -ATOM 2935 O1 TIP3A 979 22.846 10.842 27.577 1.00 0.00 O -ATOM 2936 H1 TIP3A 979 22.706 10.885 28.522 1.00 0.00 H -ATOM 2937 H2 TIP3A 979 22.160 11.398 27.206 1.00 0.00 H -ATOM 2938 O1 TIP3A 980 25.313 14.806 18.064 1.00 0.00 O -ATOM 2939 H1 TIP3A 980 24.416 14.977 18.347 1.00 0.00 H -ATOM 2940 H2 TIP3A 980 25.702 15.676 17.962 1.00 0.00 H -ATOM 2941 O1 TIP3A 981 39.785 56.752 51.888 1.00 0.00 O -ATOM 2942 H1 TIP3A 981 39.576 55.839 51.694 1.00 0.00 H -ATOM 2943 H2 TIP3A 981 39.661 57.209 51.055 1.00 0.00 H -ATOM 2944 O1 TIP3A 982 22.666 37.981 32.378 1.00 0.00 O -ATOM 2945 H1 TIP3A 982 21.842 38.438 32.212 1.00 0.00 H -ATOM 2946 H2 TIP3A 982 22.423 37.056 32.420 1.00 0.00 H -ATOM 2947 O1 TIP3A 983 51.725 16.222 43.670 1.00 0.00 O -ATOM 2948 H1 TIP3A 983 51.446 15.932 44.538 1.00 0.00 H -ATOM 2949 H2 TIP3A 983 52.275 15.509 43.344 1.00 0.00 H -ATOM 2950 O1 TIP3A 984 38.179 13.956 56.183 1.00 0.00 O -ATOM 2951 H1 TIP3A 984 38.471 14.707 55.666 1.00 0.00 H -ATOM 2952 H2 TIP3A 984 38.507 13.194 55.705 1.00 0.00 H -ATOM 2953 O1 TIP3A 985 4.142 5.028 36.666 1.00 0.00 O -ATOM 2954 H1 TIP3A 985 3.970 5.224 35.745 1.00 0.00 H -ATOM 2955 H2 TIP3A 985 4.634 5.785 36.984 1.00 0.00 H -ATOM 2956 O1 TIP3A 986 3.104 2.636 37.559 1.00 0.00 O -ATOM 2957 H1 TIP3A 986 2.662 3.481 37.484 1.00 0.00 H -ATOM 2958 H2 TIP3A 986 2.666 2.199 38.290 1.00 0.00 H -ATOM 2959 O1 TIP3A 987 4.163 11.122 34.029 1.00 0.00 O -ATOM 2960 H1 TIP3A 987 3.929 10.195 33.994 1.00 0.00 H -ATOM 2961 H2 TIP3A 987 5.115 11.125 34.135 1.00 0.00 H -ATOM 2962 O1 TIP3A 988 21.080 54.600 7.681 1.00 0.00 O -ATOM 2963 H1 TIP3A 988 20.571 53.972 8.192 1.00 0.00 H -ATOM 2964 H2 TIP3A 988 20.429 55.067 7.157 1.00 0.00 H -ATOM 2965 O1 TIP3A 989 2.523 43.864 8.075 1.00 0.00 O -ATOM 2966 H1 TIP3A 989 2.392 43.726 7.138 1.00 0.00 H -ATOM 2967 H2 TIP3A 989 3.445 44.111 8.155 1.00 0.00 H -ATOM 2968 O1 TIP3A 990 9.807 17.126 27.484 1.00 0.00 O -ATOM 2969 H1 TIP3A 990 10.173 17.989 27.671 1.00 0.00 H -ATOM 2970 H2 TIP3A 990 10.368 16.771 26.794 1.00 0.00 H -ATOM 2971 O1 TIP3A 991 15.130 29.960 2.630 1.00 0.00 O -ATOM 2972 H1 TIP3A 991 14.360 30.443 2.334 1.00 0.00 H -ATOM 2973 H2 TIP3A 991 15.187 30.149 3.567 1.00 0.00 H -ATOM 2974 O1 TIP3A 992 2.170 35.024 18.569 1.00 0.00 O -ATOM 2975 H1 TIP3A 992 2.215 35.961 18.383 1.00 0.00 H -ATOM 2976 H2 TIP3A 992 1.416 34.930 19.151 1.00 0.00 H -ATOM 2977 O1 TIP3A 993 11.946 9.859 31.057 1.00 0.00 O -ATOM 2978 H1 TIP3A 993 11.227 10.263 30.572 1.00 0.00 H -ATOM 2979 H2 TIP3A 993 12.730 10.308 30.741 1.00 0.00 H -ATOM 2980 O1 TIP3A 994 31.393 29.734 15.126 1.00 0.00 O -ATOM 2981 H1 TIP3A 994 30.564 30.206 15.195 1.00 0.00 H -ATOM 2982 H2 TIP3A 994 31.674 29.608 16.032 1.00 0.00 H -ATOM 2983 O1 TIP3A 995 54.750 9.764 7.199 1.00 0.00 O -ATOM 2984 H1 TIP3A 995 55.442 10.205 7.690 1.00 0.00 H -ATOM 2985 H2 TIP3A 995 54.957 8.832 7.277 1.00 0.00 H -ATOM 2986 O1 TIP3A 996 56.306 14.468 50.276 1.00 0.00 O -ATOM 2987 H1 TIP3A 996 55.617 13.899 50.619 1.00 0.00 H -ATOM 2988 H2 TIP3A 996 55.971 14.767 49.430 1.00 0.00 H -ATOM 2989 O1 TIP3A 997 54.900 31.811 44.542 1.00 0.00 O -ATOM 2990 H1 TIP3A 997 54.753 31.419 43.682 1.00 0.00 H -ATOM 2991 H2 TIP3A 997 54.294 31.351 45.123 1.00 0.00 H -ATOM 2992 O1 TIP3A 998 22.012 13.676 28.118 1.00 0.00 O -ATOM 2993 H1 TIP3A 998 21.178 13.214 28.190 1.00 0.00 H -ATOM 2994 H2 TIP3A 998 22.583 13.241 28.753 1.00 0.00 H -ATOM 2995 O1 TIP3A 999 20.478 37.357 5.080 1.00 0.00 O -ATOM 2996 H1 TIP3A 999 21.430 37.438 5.055 1.00 0.00 H -ATOM 2997 H2 TIP3A 999 20.284 36.621 4.499 1.00 0.00 H -ATOM 2998 O1 TIP3A1000 14.236 25.062 21.981 1.00 0.00 O -ATOM 2999 H1 TIP3A1000 14.522 25.752 22.577 1.00 0.00 H -ATOM 3000 H2 TIP3A1000 13.516 24.629 22.442 1.00 0.00 H -ATOM 3001 O1 TIP3A1001 33.065 53.001 34.701 1.00 0.00 O -ATOM 3002 H1 TIP3A1001 33.166 52.090 34.428 1.00 0.00 H -ATOM 3003 H2 TIP3A1001 32.118 53.136 34.743 1.00 0.00 H -ATOM 3004 O1 TIP3A1002 54.312 36.243 26.004 1.00 0.00 O -ATOM 3005 H1 TIP3A1002 53.469 36.006 25.618 1.00 0.00 H -ATOM 3006 H2 TIP3A1002 54.085 36.753 26.782 1.00 0.00 H -ATOM 3007 O1 TIP3A1003 3.761 8.658 51.619 1.00 0.00 O -ATOM 3008 H1 TIP3A1003 4.413 7.989 51.822 1.00 0.00 H -ATOM 3009 H2 TIP3A1003 2.948 8.327 52.003 1.00 0.00 H -ATOM 3010 O1 TIP3A1004 20.429 22.043 48.010 1.00 0.00 O -ATOM 3011 H1 TIP3A1004 19.738 21.467 47.684 1.00 0.00 H -ATOM 3012 H2 TIP3A1004 20.109 22.927 47.828 1.00 0.00 H -ATOM 3013 O1 TIP3A1005 16.469 29.166 32.103 1.00 0.00 O -ATOM 3014 H1 TIP3A1005 17.325 28.904 32.440 1.00 0.00 H -ATOM 3015 H2 TIP3A1005 15.920 29.250 32.884 1.00 0.00 H -ATOM 3016 O1 TIP3A1006 45.798 19.346 40.418 1.00 0.00 O -ATOM 3017 H1 TIP3A1006 46.706 19.647 40.447 1.00 0.00 H -ATOM 3018 H2 TIP3A1006 45.337 19.916 41.035 1.00 0.00 H -ATOM 3019 O1 TIP3A1007 10.370 54.844 49.124 1.00 0.00 O -ATOM 3020 H1 TIP3A1007 10.020 54.854 48.234 1.00 0.00 H -ATOM 3021 H2 TIP3A1007 9.897 55.543 49.576 1.00 0.00 H -ATOM 3022 O1 TIP3A1008 2.387 10.973 39.919 1.00 0.00 O -ATOM 3023 H1 TIP3A1008 2.269 10.026 39.993 1.00 0.00 H -ATOM 3024 H2 TIP3A1008 1.629 11.270 39.415 1.00 0.00 H -ATOM 3025 O1 TIP3A1009 31.609 22.416 18.740 1.00 0.00 O -ATOM 3026 H1 TIP3A1009 31.339 22.823 17.917 1.00 0.00 H -ATOM 3027 H2 TIP3A1009 31.069 21.628 18.806 1.00 0.00 H -ATOM 3028 O1 TIP3A1010 36.674 39.901 8.723 1.00 0.00 O -ATOM 3029 H1 TIP3A1010 36.198 39.792 9.546 1.00 0.00 H -ATOM 3030 H2 TIP3A1010 36.670 39.029 8.327 1.00 0.00 H -ATOM 3031 O1 TIP3A1011 36.576 41.648 50.247 1.00 0.00 O -ATOM 3032 H1 TIP3A1011 36.398 42.138 51.050 1.00 0.00 H -ATOM 3033 H2 TIP3A1011 35.946 41.991 49.612 1.00 0.00 H -ATOM 3034 O1 TIP3A1012 32.940 3.667 31.009 1.00 0.00 O -ATOM 3035 H1 TIP3A1012 32.080 3.396 31.327 1.00 0.00 H -ATOM 3036 H2 TIP3A1012 32.971 4.610 31.175 1.00 0.00 H -ATOM 3037 O1 TIP3A1013 14.615 18.974 8.254 1.00 0.00 O -ATOM 3038 H1 TIP3A1013 15.505 18.626 8.251 1.00 0.00 H -ATOM 3039 H2 TIP3A1013 14.156 18.466 7.585 1.00 0.00 H -ATOM 3040 O1 TIP3A1014 19.635 49.655 26.432 1.00 0.00 O -ATOM 3041 H1 TIP3A1014 18.880 49.069 26.474 1.00 0.00 H -ATOM 3042 H2 TIP3A1014 19.428 50.263 25.722 1.00 0.00 H -ATOM 3043 O1 TIP3A1015 54.763 16.120 17.607 1.00 0.00 O -ATOM 3044 H1 TIP3A1015 53.915 15.679 17.603 1.00 0.00 H -ATOM 3045 H2 TIP3A1015 54.680 16.808 16.946 1.00 0.00 H -ATOM 3046 O1 TIP3A1016 39.623 29.253 49.545 1.00 0.00 O -ATOM 3047 H1 TIP3A1016 40.090 29.637 50.286 1.00 0.00 H -ATOM 3048 H2 TIP3A1016 40.015 28.386 49.437 1.00 0.00 H -ATOM 3049 O1 TIP3A1017 17.704 44.440 2.451 1.00 0.00 O -ATOM 3050 H1 TIP3A1017 17.118 44.960 1.903 1.00 0.00 H -ATOM 3051 H2 TIP3A1017 17.723 43.579 2.032 1.00 0.00 H -ATOM 3052 O1 TIP3A1018 42.646 38.066 28.066 1.00 0.00 O -ATOM 3053 H1 TIP3A1018 42.369 37.840 28.954 1.00 0.00 H -ATOM 3054 H2 TIP3A1018 41.848 38.376 27.637 1.00 0.00 H -ATOM 3055 O1 TIP3A1019 52.643 38.992 49.776 1.00 0.00 O -ATOM 3056 H1 TIP3A1019 53.476 39.459 49.717 1.00 0.00 H -ATOM 3057 H2 TIP3A1019 52.284 39.247 50.626 1.00 0.00 H -ATOM 3058 O1 TIP3A1020 54.261 38.554 33.316 1.00 0.00 O -ATOM 3059 H1 TIP3A1020 54.568 39.385 33.676 1.00 0.00 H -ATOM 3060 H2 TIP3A1020 53.760 38.154 34.027 1.00 0.00 H -ATOM 3061 O1 TIP3A1021 36.547 50.480 24.250 1.00 0.00 O -ATOM 3062 H1 TIP3A1021 36.993 49.646 24.110 1.00 0.00 H -ATOM 3063 H2 TIP3A1021 35.905 50.531 23.541 1.00 0.00 H -ATOM 3064 O1 TIP3A1022 46.081 23.677 47.296 1.00 0.00 O -ATOM 3065 H1 TIP3A1022 46.148 24.496 47.785 1.00 0.00 H -ATOM 3066 H2 TIP3A1022 45.170 23.404 47.408 1.00 0.00 H -ATOM 3067 O1 TIP3A1023 9.516 5.807 24.906 1.00 0.00 O -ATOM 3068 H1 TIP3A1023 10.462 5.749 25.033 1.00 0.00 H -ATOM 3069 H2 TIP3A1023 9.218 6.411 25.587 1.00 0.00 H -ATOM 3070 O1 TIP3A1024 22.145 34.793 16.018 1.00 0.00 O -ATOM 3071 H1 TIP3A1024 22.964 35.253 16.199 1.00 0.00 H -ATOM 3072 H2 TIP3A1024 22.416 33.905 15.780 1.00 0.00 H -ATOM 3073 O1 TIP3A1025 33.784 11.591 51.612 1.00 0.00 O -ATOM 3074 H1 TIP3A1025 34.186 11.498 52.475 1.00 0.00 H -ATOM 3075 H2 TIP3A1025 33.590 10.693 51.340 1.00 0.00 H -ATOM 3076 O1 TIP3A1026 15.755 57.505 52.566 1.00 0.00 O -ATOM 3077 H1 TIP3A1026 14.996 56.988 52.300 1.00 0.00 H -ATOM 3078 H2 TIP3A1026 16.239 56.932 53.162 1.00 0.00 H -ATOM 3079 O1 TIP3A1027 7.295 8.306 3.818 1.00 0.00 O -ATOM 3080 H1 TIP3A1027 6.895 9.155 3.632 1.00 0.00 H -ATOM 3081 H2 TIP3A1027 6.566 7.685 3.787 1.00 0.00 H -ATOM 3082 O1 TIP3A1028 6.873 55.418 18.767 1.00 0.00 O -ATOM 3083 H1 TIP3A1028 6.237 54.917 18.257 1.00 0.00 H -ATOM 3084 H2 TIP3A1028 6.990 56.231 18.273 1.00 0.00 H -ATOM 3085 O1 TIP3A1029 51.873 31.500 52.722 1.00 0.00 O -ATOM 3086 H1 TIP3A1029 51.392 31.814 51.957 1.00 0.00 H -ATOM 3087 H2 TIP3A1029 52.261 30.672 52.439 1.00 0.00 H -ATOM 3088 O1 TIP3A1030 30.584 28.229 41.370 1.00 0.00 O -ATOM 3089 H1 TIP3A1030 30.452 27.544 42.025 1.00 0.00 H -ATOM 3090 H2 TIP3A1030 30.893 27.762 40.593 1.00 0.00 H -ATOM 3091 O1 TIP3A1031 18.162 57.955 9.890 1.00 0.00 O -ATOM 3092 H1 TIP3A1031 17.346 57.664 10.297 1.00 0.00 H -ATOM 3093 H2 TIP3A1031 18.554 57.155 9.539 1.00 0.00 H -ATOM 3094 O1 TIP3A1032 42.001 45.643 23.299 1.00 0.00 O -ATOM 3095 H1 TIP3A1032 42.482 46.119 23.975 1.00 0.00 H -ATOM 3096 H2 TIP3A1032 42.117 44.720 23.526 1.00 0.00 H -ATOM 3097 O1 TIP3A1033 54.497 16.572 28.328 1.00 0.00 O -ATOM 3098 H1 TIP3A1033 54.067 17.387 28.072 1.00 0.00 H -ATOM 3099 H2 TIP3A1033 53.843 15.893 28.161 1.00 0.00 H -ATOM 3100 O1 TIP3A1034 21.237 56.423 4.471 1.00 0.00 O -ATOM 3101 H1 TIP3A1034 20.574 55.916 4.004 1.00 0.00 H -ATOM 3102 H2 TIP3A1034 21.751 56.840 3.780 1.00 0.00 H -ATOM 3103 O1 TIP3A1035 51.135 4.323 47.515 1.00 0.00 O -ATOM 3104 H1 TIP3A1035 51.640 4.257 46.705 1.00 0.00 H -ATOM 3105 H2 TIP3A1035 51.200 5.246 47.764 1.00 0.00 H -ATOM 3106 O1 TIP3A1036 8.451 42.968 49.665 1.00 0.00 O -ATOM 3107 H1 TIP3A1036 8.776 43.848 49.481 1.00 0.00 H -ATOM 3108 H2 TIP3A1036 9.033 42.388 49.173 1.00 0.00 H -ATOM 3109 O1 TIP3A1037 43.643 57.049 16.945 1.00 0.00 O -ATOM 3110 H1 TIP3A1037 44.393 56.923 16.365 1.00 0.00 H -ATOM 3111 H2 TIP3A1037 44.000 57.514 17.702 1.00 0.00 H -ATOM 3112 O1 TIP3A1038 4.085 36.875 52.429 1.00 0.00 O -ATOM 3113 H1 TIP3A1038 4.040 37.789 52.706 1.00 0.00 H -ATOM 3114 H2 TIP3A1038 3.170 36.601 52.357 1.00 0.00 H -ATOM 3115 O1 TIP3A1039 51.758 40.581 12.810 1.00 0.00 O -ATOM 3116 H1 TIP3A1039 51.816 39.677 13.118 1.00 0.00 H -ATOM 3117 H2 TIP3A1039 50.821 40.777 12.818 1.00 0.00 H -ATOM 3118 O1 TIP3A1040 16.822 48.144 9.625 1.00 0.00 O -ATOM 3119 H1 TIP3A1040 17.521 47.673 9.172 1.00 0.00 H -ATOM 3120 H2 TIP3A1040 17.279 48.703 10.255 1.00 0.00 H -ATOM 3121 O1 TIP3A1041 17.320 16.461 11.772 1.00 0.00 O -ATOM 3122 H1 TIP3A1041 18.144 16.181 11.374 1.00 0.00 H -ATOM 3123 H2 TIP3A1041 17.544 17.259 12.251 1.00 0.00 H -ATOM 3124 O1 TIP3A1042 9.442 6.529 6.783 1.00 0.00 O -ATOM 3125 H1 TIP3A1042 8.826 6.060 6.223 1.00 0.00 H -ATOM 3126 H2 TIP3A1042 9.120 7.431 6.793 1.00 0.00 H -ATOM 3127 O1 TIP3A1043 0.488 27.523 22.468 1.00 0.00 O -ATOM 3128 H1 TIP3A1043 -0.016 26.710 22.481 1.00 0.00 H -ATOM 3129 H2 TIP3A1043 0.002 28.097 21.875 1.00 0.00 H -ATOM 3130 O1 TIP3A1044 57.456 19.929 37.609 1.00 0.00 O -ATOM 3131 H1 TIP3A1044 58.027 19.176 37.463 1.00 0.00 H -ATOM 3132 H2 TIP3A1044 58.017 20.577 38.035 1.00 0.00 H -ATOM 3133 O1 TIP3A1045 22.064 37.165 54.480 1.00 0.00 O -ATOM 3134 H1 TIP3A1045 21.649 36.360 54.789 1.00 0.00 H -ATOM 3135 H2 TIP3A1045 22.082 37.736 55.249 1.00 0.00 H -ATOM 3136 O1 TIP3A1046 11.674 19.611 26.082 1.00 0.00 O -ATOM 3137 H1 TIP3A1046 11.964 20.522 26.120 1.00 0.00 H -ATOM 3138 H2 TIP3A1046 11.985 19.295 25.233 1.00 0.00 H -ATOM 3139 O1 TIP3A1047 28.045 46.633 52.489 1.00 0.00 O -ATOM 3140 H1 TIP3A1047 28.218 47.440 52.005 1.00 0.00 H -ATOM 3141 H2 TIP3A1047 27.192 46.776 52.899 1.00 0.00 H -ATOM 3142 O1 TIP3A1048 14.852 29.805 39.739 1.00 0.00 O -ATOM 3143 H1 TIP3A1048 14.421 30.639 39.925 1.00 0.00 H -ATOM 3144 H2 TIP3A1048 14.196 29.142 39.957 1.00 0.00 H -ATOM 3145 O1 TIP3A1049 10.682 48.746 16.047 1.00 0.00 O -ATOM 3146 H1 TIP3A1049 10.697 49.517 16.615 1.00 0.00 H -ATOM 3147 H2 TIP3A1049 9.993 48.192 16.413 1.00 0.00 H -ATOM 3148 O1 TIP3A1050 55.158 13.802 12.906 1.00 0.00 O -ATOM 3149 H1 TIP3A1050 54.439 13.896 13.530 1.00 0.00 H -ATOM 3150 H2 TIP3A1050 55.679 13.074 13.247 1.00 0.00 H -ATOM 3151 O1 TIP3A1051 40.491 33.772 17.939 1.00 0.00 O -ATOM 3152 H1 TIP3A1051 40.186 34.025 18.810 1.00 0.00 H -ATOM 3153 H2 TIP3A1051 40.364 34.556 17.403 1.00 0.00 H -ATOM 3154 O1 TIP3A1052 19.911 39.478 13.486 1.00 0.00 O -ATOM 3155 H1 TIP3A1052 20.344 40.330 13.460 1.00 0.00 H -ATOM 3156 H2 TIP3A1052 20.384 38.948 12.844 1.00 0.00 H -ATOM 3157 O1 TIP3A1053 9.500 49.515 5.592 1.00 0.00 O -ATOM 3158 H1 TIP3A1053 9.070 50.369 5.591 1.00 0.00 H -ATOM 3159 H2 TIP3A1053 8.820 48.903 5.308 1.00 0.00 H -ATOM 3160 O1 TIP3A1054 41.255 27.164 3.792 1.00 0.00 O -ATOM 3161 H1 TIP3A1054 41.202 28.119 3.792 1.00 0.00 H -ATOM 3162 H2 TIP3A1054 40.629 26.888 4.462 1.00 0.00 H -ATOM 3163 O1 TIP3A1055 8.221 16.087 47.898 1.00 0.00 O -ATOM 3164 H1 TIP3A1055 8.645 15.969 47.050 1.00 0.00 H -ATOM 3165 H2 TIP3A1055 8.659 16.847 48.282 1.00 0.00 H -ATOM 3166 O1 TIP3A1056 48.239 44.784 6.324 1.00 0.00 O -ATOM 3167 H1 TIP3A1056 47.955 43.921 6.624 1.00 0.00 H -ATOM 3168 H2 TIP3A1056 47.593 45.389 6.690 1.00 0.00 H -ATOM 3169 O1 TIP3A1057 28.542 6.305 19.386 1.00 0.00 O -ATOM 3170 H1 TIP3A1057 29.494 6.218 19.372 1.00 0.00 H -ATOM 3171 H2 TIP3A1057 28.368 6.928 20.092 1.00 0.00 H -ATOM 3172 O1 TIP3A1058 20.077 6.102 45.179 1.00 0.00 O -ATOM 3173 H1 TIP3A1058 20.713 6.213 44.473 1.00 0.00 H -ATOM 3174 H2 TIP3A1058 20.568 5.669 45.879 1.00 0.00 H -ATOM 3175 O1 TIP3A1059 16.307 4.251 12.808 1.00 0.00 O -ATOM 3176 H1 TIP3A1059 16.015 3.357 12.633 1.00 0.00 H -ATOM 3177 H2 TIP3A1059 16.223 4.351 13.757 1.00 0.00 H -ATOM 3178 O1 TIP3A1060 57.813 55.611 0.958 1.00 0.00 O -ATOM 3179 H1 TIP3A1060 57.107 55.246 0.425 1.00 0.00 H -ATOM 3180 H2 TIP3A1060 57.468 55.605 1.851 1.00 0.00 H -ATOM 3181 O1 TIP3A1061 0.727 18.268 9.839 1.00 0.00 O -ATOM 3182 H1 TIP3A1061 1.220 18.640 10.569 1.00 0.00 H -ATOM 3183 H2 TIP3A1061 1.364 18.205 9.126 1.00 0.00 H -ATOM 3184 O1 TIP3A1062 54.537 5.811 21.327 1.00 0.00 O -ATOM 3185 H1 TIP3A1062 55.185 6.507 21.229 1.00 0.00 H -ATOM 3186 H2 TIP3A1062 54.819 5.132 20.714 1.00 0.00 H -ATOM 3187 O1 TIP3A1063 3.178 26.585 46.672 1.00 0.00 O -ATOM 3188 H1 TIP3A1063 2.309 26.985 46.667 1.00 0.00 H -ATOM 3189 H2 TIP3A1063 3.422 26.553 47.597 1.00 0.00 H -ATOM 3190 O1 TIP3A1064 37.705 10.714 48.933 1.00 0.00 O -ATOM 3191 H1 TIP3A1064 38.271 11.051 49.627 1.00 0.00 H -ATOM 3192 H2 TIP3A1064 37.426 9.853 49.247 1.00 0.00 H -ATOM 3193 O1 TIP3A1065 43.716 35.473 39.475 1.00 0.00 O -ATOM 3194 H1 TIP3A1065 43.914 35.396 38.542 1.00 0.00 H -ATOM 3195 H2 TIP3A1065 44.221 34.770 39.886 1.00 0.00 H -ATOM 3196 O1 TIP3A1066 19.538 31.414 49.696 1.00 0.00 O -ATOM 3197 H1 TIP3A1066 18.912 31.207 50.389 1.00 0.00 H -ATOM 3198 H2 TIP3A1066 20.281 30.833 49.862 1.00 0.00 H -ATOM 3199 O1 TIP3A1067 43.626 42.518 23.494 1.00 0.00 O -ATOM 3200 H1 TIP3A1067 43.358 41.728 23.962 1.00 0.00 H -ATOM 3201 H2 TIP3A1067 44.505 42.319 23.170 1.00 0.00 H -ATOM 3202 O1 TIP3A1068 19.486 50.779 28.319 1.00 0.00 O -ATOM 3203 H1 TIP3A1068 19.739 51.537 28.845 1.00 0.00 H -ATOM 3204 H2 TIP3A1068 18.607 50.555 28.627 1.00 0.00 H -ATOM 3205 O1 TIP3A1069 32.112 28.357 23.676 1.00 0.00 O -ATOM 3206 H1 TIP3A1069 31.528 27.898 24.280 1.00 0.00 H -ATOM 3207 H2 TIP3A1069 32.840 28.651 24.224 1.00 0.00 H -ATOM 3208 O1 TIP3A1070 4.764 26.490 19.245 1.00 0.00 O -ATOM 3209 H1 TIP3A1070 4.525 25.953 20.000 1.00 0.00 H -ATOM 3210 H2 TIP3A1070 3.945 26.605 18.763 1.00 0.00 H -ATOM 3211 O1 TIP3A1071 32.184 25.872 0.607 1.00 0.00 O -ATOM 3212 H1 TIP3A1071 31.974 24.960 0.410 1.00 0.00 H -ATOM 3213 H2 TIP3A1071 32.958 26.060 0.075 1.00 0.00 H -ATOM 3214 O1 TIP3A1072 48.720 24.737 30.964 1.00 0.00 O -ATOM 3215 H1 TIP3A1072 47.832 25.092 30.987 1.00 0.00 H -ATOM 3216 H2 TIP3A1072 48.706 24.015 31.593 1.00 0.00 H -ATOM 3217 O1 TIP3A1073 50.631 16.395 10.409 1.00 0.00 O -ATOM 3218 H1 TIP3A1073 51.399 15.862 10.207 1.00 0.00 H -ATOM 3219 H2 TIP3A1073 50.940 17.299 10.341 1.00 0.00 H -ATOM 3220 O1 TIP3A1074 11.490 8.062 25.886 1.00 0.00 O -ATOM 3221 H1 TIP3A1074 11.156 7.453 26.544 1.00 0.00 H -ATOM 3222 H2 TIP3A1074 12.432 7.897 25.861 1.00 0.00 H -ATOM 3223 O1 TIP3A1075 40.268 28.191 53.961 1.00 0.00 O -ATOM 3224 H1 TIP3A1075 39.489 28.661 53.666 1.00 0.00 H -ATOM 3225 H2 TIP3A1075 40.940 28.868 54.042 1.00 0.00 H -ATOM 3226 O1 TIP3A1076 33.380 53.515 21.124 1.00 0.00 O -ATOM 3227 H1 TIP3A1076 34.262 53.589 21.487 1.00 0.00 H -ATOM 3228 H2 TIP3A1076 32.804 53.799 21.835 1.00 0.00 H -ATOM 3229 O1 TIP3A1077 32.819 13.247 31.303 1.00 0.00 O -ATOM 3230 H1 TIP3A1077 33.561 12.834 30.862 1.00 0.00 H -ATOM 3231 H2 TIP3A1077 32.946 13.043 32.230 1.00 0.00 H -ATOM 3232 O1 TIP3A1078 19.399 22.542 37.365 1.00 0.00 O -ATOM 3233 H1 TIP3A1078 20.133 23.052 37.706 1.00 0.00 H -ATOM 3234 H2 TIP3A1078 18.707 22.651 38.018 1.00 0.00 H -ATOM 3235 O1 TIP3A1079 1.038 53.261 40.079 1.00 0.00 O -ATOM 3236 H1 TIP3A1079 0.813 53.092 40.994 1.00 0.00 H -ATOM 3237 H2 TIP3A1079 0.197 53.425 39.651 1.00 0.00 H -ATOM 3238 O1 TIP3A1080 35.273 6.853 44.630 1.00 0.00 O -ATOM 3239 H1 TIP3A1080 35.487 6.001 45.009 1.00 0.00 H -ATOM 3240 H2 TIP3A1080 35.944 6.994 43.962 1.00 0.00 H -ATOM 3241 O1 TIP3A1081 43.328 30.432 50.973 1.00 0.00 O -ATOM 3242 H1 TIP3A1081 43.234 30.948 51.773 1.00 0.00 H -ATOM 3243 H2 TIP3A1081 42.988 31.000 50.280 1.00 0.00 H -ATOM 3244 O1 TIP3A1082 55.604 9.872 39.263 1.00 0.00 O -ATOM 3245 H1 TIP3A1082 56.524 10.069 39.435 1.00 0.00 H -ATOM 3246 H2 TIP3A1082 55.622 9.267 38.521 1.00 0.00 H -ATOM 3247 O1 TIP3A1083 14.043 8.126 49.855 1.00 0.00 O -ATOM 3248 H1 TIP3A1083 14.477 8.121 49.002 1.00 0.00 H -ATOM 3249 H2 TIP3A1083 14.719 7.838 50.469 1.00 0.00 H -ATOM 3250 O1 TIP3A1084 33.098 26.149 20.994 1.00 0.00 O -ATOM 3251 H1 TIP3A1084 32.909 27.085 21.045 1.00 0.00 H -ATOM 3252 H2 TIP3A1084 32.427 25.738 21.540 1.00 0.00 H -ATOM 3253 O1 TIP3A1085 35.967 34.289 11.274 1.00 0.00 O -ATOM 3254 H1 TIP3A1085 36.476 34.116 12.065 1.00 0.00 H -ATOM 3255 H2 TIP3A1085 35.267 33.635 11.291 1.00 0.00 H -ATOM 3256 O1 TIP3A1086 56.171 20.182 29.002 1.00 0.00 O -ATOM 3257 H1 TIP3A1086 56.040 20.294 28.061 1.00 0.00 H -ATOM 3258 H2 TIP3A1086 55.748 20.945 29.396 1.00 0.00 H -ATOM 3259 O1 TIP3A1087 22.266 40.874 17.135 1.00 0.00 O -ATOM 3260 H1 TIP3A1087 21.487 40.860 17.690 1.00 0.00 H -ATOM 3261 H2 TIP3A1087 22.994 40.726 17.738 1.00 0.00 H -ATOM 3262 O1 TIP3A1088 44.520 6.498 11.463 1.00 0.00 O -ATOM 3263 H1 TIP3A1088 45.475 6.447 11.451 1.00 0.00 H -ATOM 3264 H2 TIP3A1088 44.246 6.048 10.664 1.00 0.00 H -ATOM 3265 O1 TIP3A1089 51.840 23.885 52.170 1.00 0.00 O -ATOM 3266 H1 TIP3A1089 52.069 24.699 51.723 1.00 0.00 H -ATOM 3267 H2 TIP3A1089 50.919 23.740 51.948 1.00 0.00 H -ATOM 3268 O1 TIP3A1090 15.501 52.034 21.780 1.00 0.00 O -ATOM 3269 H1 TIP3A1090 15.452 52.815 22.330 1.00 0.00 H -ATOM 3270 H2 TIP3A1090 15.879 52.345 20.956 1.00 0.00 H -ATOM 3271 O1 TIP3A1091 5.520 47.001 23.250 1.00 0.00 O -ATOM 3272 H1 TIP3A1091 5.278 46.093 23.425 1.00 0.00 H -ATOM 3273 H2 TIP3A1091 4.976 47.256 22.505 1.00 0.00 H -ATOM 3274 O1 TIP3A1092 55.669 46.076 8.574 1.00 0.00 O -ATOM 3275 H1 TIP3A1092 56.410 45.483 8.458 1.00 0.00 H -ATOM 3276 H2 TIP3A1092 54.904 45.557 8.325 1.00 0.00 H -ATOM 3277 O1 TIP3A1093 26.638 43.956 23.254 1.00 0.00 O -ATOM 3278 H1 TIP3A1093 27.579 44.122 23.304 1.00 0.00 H -ATOM 3279 H2 TIP3A1093 26.261 44.508 23.941 1.00 0.00 H -ATOM 3280 O1 TIP3A1094 26.949 33.329 3.854 1.00 0.00 O -ATOM 3281 H1 TIP3A1094 26.885 34.219 3.510 1.00 0.00 H -ATOM 3282 H2 TIP3A1094 27.890 33.165 3.920 1.00 0.00 H -ATOM 3283 O1 TIP3A1095 9.494 14.938 19.900 1.00 0.00 O -ATOM 3284 H1 TIP3A1095 9.968 15.765 19.821 1.00 0.00 H -ATOM 3285 H2 TIP3A1095 9.937 14.348 19.290 1.00 0.00 H -ATOM 3286 O1 TIP3A1096 3.308 8.578 15.021 1.00 0.00 O -ATOM 3287 H1 TIP3A1096 3.020 9.456 15.272 1.00 0.00 H -ATOM 3288 H2 TIP3A1096 4.239 8.558 15.246 1.00 0.00 H -ATOM 3289 O1 TIP3A1097 27.351 49.506 36.929 1.00 0.00 O -ATOM 3290 H1 TIP3A1097 26.501 49.939 36.863 1.00 0.00 H -ATOM 3291 H2 TIP3A1097 27.953 50.085 36.459 1.00 0.00 H -ATOM 3292 O1 TIP3A1098 7.546 10.220 29.258 1.00 0.00 O -ATOM 3293 H1 TIP3A1098 7.602 11.126 28.956 1.00 0.00 H -ATOM 3294 H2 TIP3A1098 6.852 10.228 29.917 1.00 0.00 H -ATOM 3295 O1 TIP3A1099 55.029 17.937 2.859 1.00 0.00 O -ATOM 3296 H1 TIP3A1099 54.225 17.419 2.872 1.00 0.00 H -ATOM 3297 H2 TIP3A1099 55.587 17.530 3.523 1.00 0.00 H -ATOM 3298 O1 TIP3A1100 5.681 32.140 6.747 1.00 0.00 O -ATOM 3299 H1 TIP3A1100 4.976 32.696 7.077 1.00 0.00 H -ATOM 3300 H2 TIP3A1100 5.383 31.247 6.919 1.00 0.00 H -ATOM 3301 O1 TIP3A1101 20.483 14.067 40.850 1.00 0.00 O -ATOM 3302 H1 TIP3A1101 20.648 13.555 40.059 1.00 0.00 H -ATOM 3303 H2 TIP3A1101 20.463 14.976 40.547 1.00 0.00 H -ATOM 3304 O1 TIP3A1102 56.146 19.919 34.306 1.00 0.00 O -ATOM 3305 H1 TIP3A1102 56.603 20.632 33.860 1.00 0.00 H -ATOM 3306 H2 TIP3A1102 56.633 19.131 34.061 1.00 0.00 H -ATOM 3307 O1 TIP3A1103 36.933 24.563 52.866 1.00 0.00 O -ATOM 3308 H1 TIP3A1103 37.000 25.409 52.424 1.00 0.00 H -ATOM 3309 H2 TIP3A1103 36.107 24.193 52.552 1.00 0.00 H -ATOM 3310 O1 TIP3A1104 19.355 46.243 33.928 1.00 0.00 O -ATOM 3311 H1 TIP3A1104 19.083 45.356 34.161 1.00 0.00 H -ATOM 3312 H2 TIP3A1104 18.540 46.695 33.710 1.00 0.00 H -ATOM 3313 O1 TIP3A1105 20.149 53.814 57.398 1.00 0.00 O -ATOM 3314 H1 TIP3A1105 20.690 54.602 57.423 1.00 0.00 H -ATOM 3315 H2 TIP3A1105 19.442 53.988 58.021 1.00 0.00 H -ATOM 3316 O1 TIP3A1106 35.863 7.676 14.859 1.00 0.00 O -ATOM 3317 H1 TIP3A1106 36.737 7.840 14.505 1.00 0.00 H -ATOM 3318 H2 TIP3A1106 35.726 6.736 14.734 1.00 0.00 H -ATOM 3319 O1 TIP3A1107 19.891 54.783 12.933 1.00 0.00 O -ATOM 3320 H1 TIP3A1107 19.882 54.450 12.036 1.00 0.00 H -ATOM 3321 H2 TIP3A1107 20.726 55.248 13.008 1.00 0.00 H -ATOM 3322 O1 TIP3A1108 52.308 36.415 18.615 1.00 0.00 O -ATOM 3323 H1 TIP3A1108 51.732 37.175 18.541 1.00 0.00 H -ATOM 3324 H2 TIP3A1108 52.526 36.368 19.546 1.00 0.00 H -ATOM 3325 O1 TIP3A1109 41.012 15.356 46.919 1.00 0.00 O -ATOM 3326 H1 TIP3A1109 41.360 15.905 46.217 1.00 0.00 H -ATOM 3327 H2 TIP3A1109 41.162 15.862 47.718 1.00 0.00 H -ATOM 3328 O1 TIP3A1110 14.016 43.473 33.595 1.00 0.00 O -ATOM 3329 H1 TIP3A1110 13.766 44.087 34.285 1.00 0.00 H -ATOM 3330 H2 TIP3A1110 14.677 43.941 33.084 1.00 0.00 H -ATOM 3331 O1 TIP3A1111 2.514 1.571 32.810 1.00 0.00 O -ATOM 3332 H1 TIP3A1111 2.463 0.880 33.469 1.00 0.00 H -ATOM 3333 H2 TIP3A1111 3.309 2.057 33.033 1.00 0.00 H -ATOM 3334 O1 TIP3A1112 50.581 8.938 25.466 1.00 0.00 O -ATOM 3335 H1 TIP3A1112 49.887 8.284 25.393 1.00 0.00 H -ATOM 3336 H2 TIP3A1112 51.059 8.873 24.638 1.00 0.00 H -ATOM 3337 O1 TIP3A1113 50.030 42.239 42.598 1.00 0.00 O -ATOM 3338 H1 TIP3A1113 50.709 42.177 43.269 1.00 0.00 H -ATOM 3339 H2 TIP3A1113 49.323 42.730 43.017 1.00 0.00 H -ATOM 3340 O1 TIP3A1114 52.584 49.927 5.303 1.00 0.00 O -ATOM 3341 H1 TIP3A1114 52.789 49.122 5.778 1.00 0.00 H -ATOM 3342 H2 TIP3A1114 52.677 49.690 4.379 1.00 0.00 H -ATOM 3343 O1 TIP3A1115 1.862 44.449 50.032 1.00 0.00 O -ATOM 3344 H1 TIP3A1115 1.968 44.481 50.982 1.00 0.00 H -ATOM 3345 H2 TIP3A1115 1.385 43.635 49.870 1.00 0.00 H -ATOM 3346 O1 TIP3A1116 7.139 15.303 20.585 1.00 0.00 O -ATOM 3347 H1 TIP3A1116 7.244 15.719 21.440 1.00 0.00 H -ATOM 3348 H2 TIP3A1116 6.191 15.251 20.459 1.00 0.00 H -ATOM 3349 O1 TIP3A1117 52.405 57.320 10.581 1.00 0.00 O -ATOM 3350 H1 TIP3A1117 51.862 57.028 9.850 1.00 0.00 H -ATOM 3351 H2 TIP3A1117 53.204 57.651 10.171 1.00 0.00 H -ATOM 3352 O1 TIP3A1118 11.213 13.701 57.941 1.00 0.00 O -ATOM 3353 H1 TIP3A1118 11.967 13.532 57.378 1.00 0.00 H -ATOM 3354 H2 TIP3A1118 10.734 14.402 57.498 1.00 0.00 H -ATOM 3355 O1 TIP3A1119 51.051 45.808 55.261 1.00 0.00 O -ATOM 3356 H1 TIP3A1119 50.567 45.549 56.044 1.00 0.00 H -ATOM 3357 H2 TIP3A1119 50.735 45.216 54.577 1.00 0.00 H -ATOM 3358 O1 TIP3A1120 55.063 7.532 58.000 1.00 0.00 O -ATOM 3359 H1 TIP3A1120 54.694 7.528 57.118 1.00 0.00 H -ATOM 3360 H2 TIP3A1120 55.819 6.947 57.947 1.00 0.00 H -ATOM 3361 O1 TIP3A1121 17.688 16.071 4.565 1.00 0.00 O -ATOM 3362 H1 TIP3A1121 18.051 15.186 4.578 1.00 0.00 H -ATOM 3363 H2 TIP3A1121 16.846 15.980 4.118 1.00 0.00 H -ATOM 3364 O1 TIP3A1122 25.953 10.449 36.583 1.00 0.00 O -ATOM 3365 H1 TIP3A1122 25.847 10.895 37.423 1.00 0.00 H -ATOM 3366 H2 TIP3A1122 26.481 11.050 36.057 1.00 0.00 H -ATOM 3367 O1 TIP3A1123 8.662 44.370 56.693 1.00 0.00 O -ATOM 3368 H1 TIP3A1123 7.917 43.789 56.546 1.00 0.00 H -ATOM 3369 H2 TIP3A1123 9.102 44.008 57.463 1.00 0.00 H -ATOM 3370 O1 TIP3A1124 31.528 21.771 28.226 1.00 0.00 O -ATOM 3371 H1 TIP3A1124 30.649 21.412 28.340 1.00 0.00 H -ATOM 3372 H2 TIP3A1124 32.084 21.224 28.782 1.00 0.00 H -ATOM 3373 O1 TIP3A1125 42.343 56.315 56.470 1.00 0.00 O -ATOM 3374 H1 TIP3A1125 42.348 55.556 55.887 1.00 0.00 H -ATOM 3375 H2 TIP3A1125 43.255 56.411 56.746 1.00 0.00 H -ATOM 3376 O1 TIP3A1126 35.479 25.974 54.905 1.00 0.00 O -ATOM 3377 H1 TIP3A1126 36.017 26.335 54.201 1.00 0.00 H -ATOM 3378 H2 TIP3A1126 35.992 26.126 55.700 1.00 0.00 H -ATOM 3379 O1 TIP3A1127 17.273 21.307 31.824 1.00 0.00 O -ATOM 3380 H1 TIP3A1127 16.605 21.050 32.459 1.00 0.00 H -ATOM 3381 H2 TIP3A1127 16.803 21.364 30.992 1.00 0.00 H -ATOM 3382 O1 TIP3A1128 15.932 55.269 48.474 1.00 0.00 O -ATOM 3383 H1 TIP3A1128 14.992 55.428 48.547 1.00 0.00 H -ATOM 3384 H2 TIP3A1128 16.116 54.604 49.138 1.00 0.00 H -ATOM 3385 O1 TIP3A1129 50.749 36.371 26.894 1.00 0.00 O -ATOM 3386 H1 TIP3A1129 51.312 37.022 27.313 1.00 0.00 H -ATOM 3387 H2 TIP3A1129 50.867 36.520 25.955 1.00 0.00 H -ATOM 3388 O1 TIP3A1130 7.421 32.217 19.990 1.00 0.00 O -ATOM 3389 H1 TIP3A1130 6.473 32.094 20.007 1.00 0.00 H -ATOM 3390 H2 TIP3A1130 7.750 31.651 20.688 1.00 0.00 H -ATOM 3391 O1 TIP3A1131 44.753 9.978 50.488 1.00 0.00 O -ATOM 3392 H1 TIP3A1131 45.335 10.441 49.886 1.00 0.00 H -ATOM 3393 H2 TIP3A1131 44.277 10.672 50.944 1.00 0.00 H -ATOM 3394 O1 TIP3A1132 25.115 36.685 15.225 1.00 0.00 O -ATOM 3395 H1 TIP3A1132 25.265 36.929 16.137 1.00 0.00 H -ATOM 3396 H2 TIP3A1132 25.504 37.397 14.718 1.00 0.00 H -ATOM 3397 O1 TIP3A1133 24.361 50.207 27.408 1.00 0.00 O -ATOM 3398 H1 TIP3A1133 24.161 51.134 27.283 1.00 0.00 H -ATOM 3399 H2 TIP3A1133 24.646 49.905 26.545 1.00 0.00 H -ATOM 3400 O1 TIP3A1134 46.063 33.125 7.719 1.00 0.00 O -ATOM 3401 H1 TIP3A1134 46.408 32.670 8.487 1.00 0.00 H -ATOM 3402 H2 TIP3A1134 45.123 33.201 7.887 1.00 0.00 H -ATOM 3403 O1 TIP3A1135 2.869 18.308 53.131 1.00 0.00 O -ATOM 3404 H1 TIP3A1135 3.605 18.068 52.569 1.00 0.00 H -ATOM 3405 H2 TIP3A1135 2.095 18.181 52.581 1.00 0.00 H -ATOM 3406 O1 TIP3A1136 35.507 48.450 10.614 1.00 0.00 O -ATOM 3407 H1 TIP3A1136 35.759 49.117 11.251 1.00 0.00 H -ATOM 3408 H2 TIP3A1136 36.308 47.947 10.463 1.00 0.00 H -ATOM 3409 O1 TIP3A1137 32.843 28.807 41.396 1.00 0.00 O -ATOM 3410 H1 TIP3A1137 32.531 29.564 40.902 1.00 0.00 H -ATOM 3411 H2 TIP3A1137 32.492 28.935 42.278 1.00 0.00 H -ATOM 3412 O1 TIP3A1138 44.534 44.850 53.596 1.00 0.00 O -ATOM 3413 H1 TIP3A1138 44.004 45.640 53.491 1.00 0.00 H -ATOM 3414 H2 TIP3A1138 44.245 44.476 54.430 1.00 0.00 H -ATOM 3415 O1 TIP3A1139 5.273 30.668 53.009 1.00 0.00 O -ATOM 3416 H1 TIP3A1139 6.099 30.945 53.405 1.00 0.00 H -ATOM 3417 H2 TIP3A1139 5.050 29.855 53.464 1.00 0.00 H -ATOM 3418 O1 TIP3A1140 30.545 38.282 13.145 1.00 0.00 O -ATOM 3419 H1 TIP3A1140 30.737 37.381 12.887 1.00 0.00 H -ATOM 3420 H2 TIP3A1140 29.918 38.591 12.490 1.00 0.00 H -ATOM 3421 O1 TIP3A1141 44.876 36.796 29.514 1.00 0.00 O -ATOM 3422 H1 TIP3A1141 45.580 37.439 29.594 1.00 0.00 H -ATOM 3423 H2 TIP3A1141 44.469 36.990 28.669 1.00 0.00 H -ATOM 3424 O1 TIP3A1142 30.973 2.367 7.523 1.00 0.00 O -ATOM 3425 H1 TIP3A1142 30.265 2.764 7.018 1.00 0.00 H -ATOM 3426 H2 TIP3A1142 31.136 1.529 7.090 1.00 0.00 H -ATOM 3427 O1 TIP3A1143 48.926 27.402 27.566 1.00 0.00 O -ATOM 3428 H1 TIP3A1143 48.643 28.157 28.081 1.00 0.00 H -ATOM 3429 H2 TIP3A1143 49.506 27.769 26.898 1.00 0.00 H -ATOM 3430 O1 TIP3A1144 46.124 50.698 31.232 1.00 0.00 O -ATOM 3431 H1 TIP3A1144 45.931 51.634 31.284 1.00 0.00 H -ATOM 3432 H2 TIP3A1144 46.578 50.593 30.395 1.00 0.00 H -ATOM 3433 O1 TIP3A1145 29.835 30.884 36.434 1.00 0.00 O -ATOM 3434 H1 TIP3A1145 30.050 31.815 36.450 1.00 0.00 H -ATOM 3435 H2 TIP3A1145 29.131 30.789 37.077 1.00 0.00 H -ATOM 3436 O1 TIP3A1146 5.776 46.663 4.053 1.00 0.00 O -ATOM 3437 H1 TIP3A1146 6.110 45.875 4.480 1.00 0.00 H -ATOM 3438 H2 TIP3A1146 6.527 47.014 3.575 1.00 0.00 H -ATOM 3439 O1 TIP3A1147 11.474 44.596 52.482 1.00 0.00 O -ATOM 3440 H1 TIP3A1147 12.042 43.863 52.715 1.00 0.00 H -ATOM 3441 H2 TIP3A1147 10.701 44.187 52.091 1.00 0.00 H -ATOM 3442 O1 TIP3A1148 38.720 25.267 44.309 1.00 0.00 O -ATOM 3443 H1 TIP3A1148 39.077 25.275 45.197 1.00 0.00 H -ATOM 3444 H2 TIP3A1148 39.109 26.034 43.887 1.00 0.00 H -ATOM 3445 O1 TIP3A1149 34.076 52.288 26.963 1.00 0.00 O -ATOM 3446 H1 TIP3A1149 33.194 51.946 26.818 1.00 0.00 H -ATOM 3447 H2 TIP3A1149 33.959 52.989 27.605 1.00 0.00 H -ATOM 3448 O1 TIP3A1150 36.409 12.529 16.271 1.00 0.00 O -ATOM 3449 H1 TIP3A1150 36.741 13.361 15.934 1.00 0.00 H -ATOM 3450 H2 TIP3A1150 36.476 12.612 17.223 1.00 0.00 H -ATOM 3451 O1 TIP3A1151 13.311 23.024 45.677 1.00 0.00 O -ATOM 3452 H1 TIP3A1151 12.385 23.262 45.638 1.00 0.00 H -ATOM 3453 H2 TIP3A1151 13.732 23.593 45.032 1.00 0.00 H -ATOM 3454 O1 TIP3A1152 21.936 37.841 15.540 1.00 0.00 O -ATOM 3455 H1 TIP3A1152 21.026 37.661 15.773 1.00 0.00 H -ATOM 3456 H2 TIP3A1152 21.961 37.759 14.586 1.00 0.00 H -ATOM 3457 O1 TIP3A1153 22.573 16.115 7.487 1.00 0.00 O -ATOM 3458 H1 TIP3A1153 22.505 16.918 6.972 1.00 0.00 H -ATOM 3459 H2 TIP3A1153 23.311 15.643 7.101 1.00 0.00 H -ATOM 3460 O1 TIP3A1154 4.978 52.868 9.065 1.00 0.00 O -ATOM 3461 H1 TIP3A1154 4.101 52.704 8.721 1.00 0.00 H -ATOM 3462 H2 TIP3A1154 4.995 52.412 9.907 1.00 0.00 H -ATOM 3463 O1 TIP3A1155 19.987 57.634 36.777 1.00 0.00 O -ATOM 3464 H1 TIP3A1155 19.668 57.399 37.648 1.00 0.00 H -ATOM 3465 H2 TIP3A1155 19.587 56.989 36.193 1.00 0.00 H -ATOM 3466 O1 TIP3A1156 29.356 31.166 45.750 1.00 0.00 O -ATOM 3467 H1 TIP3A1156 28.874 30.889 44.972 1.00 0.00 H -ATOM 3468 H2 TIP3A1156 29.494 30.359 46.247 1.00 0.00 H -ATOM 3469 O1 TIP3A1157 32.886 34.068 18.559 1.00 0.00 O -ATOM 3470 H1 TIP3A1157 33.221 34.658 19.233 1.00 0.00 H -ATOM 3471 H2 TIP3A1157 32.011 34.403 18.360 1.00 0.00 H -ATOM 3472 O1 TIP3A1158 27.383 24.280 7.259 1.00 0.00 O -ATOM 3473 H1 TIP3A1158 26.802 23.527 7.155 1.00 0.00 H -ATOM 3474 H2 TIP3A1158 28.066 23.975 7.856 1.00 0.00 H -ATOM 3475 O1 TIP3A1159 25.773 34.097 20.283 1.00 0.00 O -ATOM 3476 H1 TIP3A1159 24.930 34.538 20.382 1.00 0.00 H -ATOM 3477 H2 TIP3A1159 26.258 34.640 19.661 1.00 0.00 H -ATOM 3478 O1 TIP3A1160 31.603 44.070 28.338 1.00 0.00 O -ATOM 3479 H1 TIP3A1160 31.187 44.211 27.489 1.00 0.00 H -ATOM 3480 H2 TIP3A1160 31.468 44.891 28.811 1.00 0.00 H -ATOM 3481 O1 TIP3A1161 16.729 20.175 9.272 1.00 0.00 O -ATOM 3482 H1 TIP3A1161 17.415 19.509 9.270 1.00 0.00 H -ATOM 3483 H2 TIP3A1161 16.997 20.793 9.954 1.00 0.00 H -ATOM 3484 O1 TIP3A1162 14.324 53.212 1.971 1.00 0.00 O -ATOM 3485 H1 TIP3A1162 13.785 52.424 1.906 1.00 0.00 H -ATOM 3486 H2 TIP3A1162 14.986 52.997 2.629 1.00 0.00 H -ATOM 3487 O1 TIP3A1163 41.572 22.738 11.870 1.00 0.00 O -ATOM 3488 H1 TIP3A1163 41.925 22.027 12.404 1.00 0.00 H -ATOM 3489 H2 TIP3A1163 41.158 23.329 12.500 1.00 0.00 H -ATOM 3490 O1 TIP3A1164 51.809 56.913 48.943 1.00 0.00 O -ATOM 3491 H1 TIP3A1164 51.694 57.783 49.322 1.00 0.00 H -ATOM 3492 H2 TIP3A1164 51.619 56.310 49.663 1.00 0.00 H -ATOM 3493 O1 TIP3A1165 21.618 12.194 41.572 1.00 0.00 O -ATOM 3494 H1 TIP3A1165 22.296 12.542 42.150 1.00 0.00 H -ATOM 3495 H2 TIP3A1165 22.097 11.866 40.811 1.00 0.00 H -ATOM 3496 O1 TIP3A1166 29.756 43.440 54.606 1.00 0.00 O -ATOM 3497 H1 TIP3A1166 29.697 44.393 54.663 1.00 0.00 H -ATOM 3498 H2 TIP3A1166 28.949 43.125 55.013 1.00 0.00 H -ATOM 3499 O1 TIP3A1167 8.937 14.033 15.682 1.00 0.00 O -ATOM 3500 H1 TIP3A1167 9.574 13.641 15.086 1.00 0.00 H -ATOM 3501 H2 TIP3A1167 9.154 13.668 16.540 1.00 0.00 H -ATOM 3502 O1 TIP3A1168 40.883 17.660 20.996 1.00 0.00 O -ATOM 3503 H1 TIP3A1168 40.666 17.641 21.928 1.00 0.00 H -ATOM 3504 H2 TIP3A1168 41.831 17.527 20.968 1.00 0.00 H -ATOM 3505 O1 TIP3A1169 56.409 36.089 37.384 1.00 0.00 O -ATOM 3506 H1 TIP3A1169 56.273 35.571 36.592 1.00 0.00 H -ATOM 3507 H2 TIP3A1169 56.390 35.449 38.096 1.00 0.00 H -ATOM 3508 O1 TIP3A1170 51.010 51.363 23.219 1.00 0.00 O -ATOM 3509 H1 TIP3A1170 50.215 50.834 23.280 1.00 0.00 H -ATOM 3510 H2 TIP3A1170 51.614 50.961 23.844 1.00 0.00 H -ATOM 3511 O1 TIP3A1171 31.844 38.578 24.873 1.00 0.00 O -ATOM 3512 H1 TIP3A1171 32.437 37.995 25.346 1.00 0.00 H -ATOM 3513 H2 TIP3A1171 31.272 37.989 24.379 1.00 0.00 H -ATOM 3514 O1 TIP3A1172 19.141 25.841 19.766 1.00 0.00 O -ATOM 3515 H1 TIP3A1172 19.557 25.990 20.615 1.00 0.00 H -ATOM 3516 H2 TIP3A1172 18.538 26.578 19.663 1.00 0.00 H -ATOM 3517 O1 TIP3A1173 45.577 17.394 29.328 1.00 0.00 O -ATOM 3518 H1 TIP3A1173 44.992 18.147 29.247 1.00 0.00 H -ATOM 3519 H2 TIP3A1173 46.367 17.652 28.852 1.00 0.00 H -ATOM 3520 O1 TIP3A1174 6.030 35.593 15.774 1.00 0.00 O -ATOM 3521 H1 TIP3A1174 6.629 36.203 16.203 1.00 0.00 H -ATOM 3522 H2 TIP3A1174 5.170 35.802 16.139 1.00 0.00 H -ATOM 3523 O1 TIP3A1175 51.055 28.137 11.918 1.00 0.00 O -ATOM 3524 H1 TIP3A1175 50.340 27.680 12.360 1.00 0.00 H -ATOM 3525 H2 TIP3A1175 50.757 28.231 11.013 1.00 0.00 H -ATOM 3526 O1 TIP3A1176 27.633 57.588 32.703 1.00 0.00 O -ATOM 3527 H1 TIP3A1176 27.801 57.364 33.618 1.00 0.00 H -ATOM 3528 H2 TIP3A1176 26.747 57.266 32.536 1.00 0.00 H -ATOM 3529 O1 TIP3A1177 17.391 56.538 14.111 1.00 0.00 O -ATOM 3530 H1 TIP3A1177 17.686 55.668 14.377 1.00 0.00 H -ATOM 3531 H2 TIP3A1177 17.089 56.948 14.922 1.00 0.00 H -ATOM 3532 O1 TIP3A1178 28.799 52.137 46.489 1.00 0.00 O -ATOM 3533 H1 TIP3A1178 28.885 51.189 46.579 1.00 0.00 H -ATOM 3534 H2 TIP3A1178 28.556 52.271 45.573 1.00 0.00 H -ATOM 3535 O1 TIP3A1179 6.700 7.401 25.926 1.00 0.00 O -ATOM 3536 H1 TIP3A1179 6.741 7.834 26.778 1.00 0.00 H -ATOM 3537 H2 TIP3A1179 7.444 7.757 25.439 1.00 0.00 H -ATOM 3538 O1 TIP3A1180 16.517 6.358 45.858 1.00 0.00 O -ATOM 3539 H1 TIP3A1180 16.881 5.591 46.300 1.00 0.00 H -ATOM 3540 H2 TIP3A1180 15.910 5.996 45.212 1.00 0.00 H -ATOM 3541 O1 TIP3A1181 53.689 50.451 33.157 1.00 0.00 O -ATOM 3542 H1 TIP3A1181 53.951 50.476 32.237 1.00 0.00 H -ATOM 3543 H2 TIP3A1181 52.732 50.402 33.133 1.00 0.00 H -ATOM 3544 O1 TIP3A1182 9.176 7.182 3.557 1.00 0.00 O -ATOM 3545 H1 TIP3A1182 9.837 7.475 2.930 1.00 0.00 H -ATOM 3546 H2 TIP3A1182 9.311 6.236 3.624 1.00 0.00 H -ATOM 3547 O1 TIP3A1183 43.578 11.401 54.180 1.00 0.00 O -ATOM 3548 H1 TIP3A1183 42.884 10.774 53.981 1.00 0.00 H -ATOM 3549 H2 TIP3A1183 43.912 11.126 55.035 1.00 0.00 H -ATOM 3550 O1 TIP3A1184 42.468 57.336 28.492 1.00 0.00 O -ATOM 3551 H1 TIP3A1184 43.423 57.299 28.527 1.00 0.00 H -ATOM 3552 H2 TIP3A1184 42.230 58.001 29.138 1.00 0.00 H -ATOM 3553 O1 TIP3A1185 38.927 22.927 48.651 1.00 0.00 O -ATOM 3554 H1 TIP3A1185 39.863 22.825 48.821 1.00 0.00 H -ATOM 3555 H2 TIP3A1185 38.792 22.515 47.797 1.00 0.00 H -ATOM 3556 O1 TIP3A1186 3.076 30.632 38.443 1.00 0.00 O -ATOM 3557 H1 TIP3A1186 3.367 30.775 37.543 1.00 0.00 H -ATOM 3558 H2 TIP3A1186 3.461 31.355 38.938 1.00 0.00 H -ATOM 3559 O1 TIP3A1187 16.518 35.099 44.497 1.00 0.00 O -ATOM 3560 H1 TIP3A1187 16.043 35.538 43.793 1.00 0.00 H -ATOM 3561 H2 TIP3A1187 17.372 34.890 44.118 1.00 0.00 H -ATOM 3562 O1 TIP3A1188 47.418 38.862 30.921 1.00 0.00 O -ATOM 3563 H1 TIP3A1188 46.557 38.729 31.317 1.00 0.00 H -ATOM 3564 H2 TIP3A1188 48.035 38.512 31.565 1.00 0.00 H -ATOM 3565 O1 TIP3A1189 10.171 55.004 33.327 1.00 0.00 O -ATOM 3566 H1 TIP3A1189 10.334 54.893 32.391 1.00 0.00 H -ATOM 3567 H2 TIP3A1189 11.004 54.780 33.743 1.00 0.00 H -ATOM 3568 O1 TIP3A1190 50.764 14.797 51.991 1.00 0.00 O -ATOM 3569 H1 TIP3A1190 50.013 15.022 51.443 1.00 0.00 H -ATOM 3570 H2 TIP3A1190 50.392 14.645 52.860 1.00 0.00 H -ATOM 3571 O1 TIP3A1191 32.387 11.371 5.293 1.00 0.00 O -ATOM 3572 H1 TIP3A1191 32.812 10.764 5.899 1.00 0.00 H -ATOM 3573 H2 TIP3A1191 33.102 11.910 4.954 1.00 0.00 H -ATOM 3574 O1 TIP3A1192 30.632 5.980 6.728 1.00 0.00 O -ATOM 3575 H1 TIP3A1192 29.886 6.553 6.901 1.00 0.00 H -ATOM 3576 H2 TIP3A1192 31.167 6.036 7.520 1.00 0.00 H -ATOM 3577 O1 TIP3A1193 46.215 30.448 24.728 1.00 0.00 O -ATOM 3578 H1 TIP3A1193 46.780 30.675 23.990 1.00 0.00 H -ATOM 3579 H2 TIP3A1193 45.325 30.515 24.379 1.00 0.00 H -ATOM 3580 O1 TIP3A1194 5.718 5.175 48.050 1.00 0.00 O -ATOM 3581 H1 TIP3A1194 6.123 5.850 48.593 1.00 0.00 H -ATOM 3582 H2 TIP3A1194 4.811 5.463 47.944 1.00 0.00 H -ATOM 3583 O1 TIP3A1195 56.841 38.406 54.318 1.00 0.00 O -ATOM 3584 H1 TIP3A1195 56.283 38.811 53.655 1.00 0.00 H -ATOM 3585 H2 TIP3A1195 56.626 37.474 54.276 1.00 0.00 H -ATOM 3586 O1 TIP3A1196 2.151 45.319 28.358 1.00 0.00 O -ATOM 3587 H1 TIP3A1196 2.513 44.450 28.528 1.00 0.00 H -ATOM 3588 H2 TIP3A1196 2.168 45.404 27.404 1.00 0.00 H -ATOM 3589 O1 TIP3A1197 20.065 35.812 23.682 1.00 0.00 O -ATOM 3590 H1 TIP3A1197 20.604 35.031 23.804 1.00 0.00 H -ATOM 3591 H2 TIP3A1197 19.955 36.168 24.564 1.00 0.00 H -ATOM 3592 O1 TIP3A1198 53.163 19.954 27.019 1.00 0.00 O -ATOM 3593 H1 TIP3A1198 52.682 20.747 26.785 1.00 0.00 H -ATOM 3594 H2 TIP3A1198 53.018 19.359 26.283 1.00 0.00 H -ATOM 3595 O1 TIP3A1199 35.054 32.132 13.054 1.00 0.00 O -ATOM 3596 H1 TIP3A1199 34.823 32.592 13.860 1.00 0.00 H -ATOM 3597 H2 TIP3A1199 36.010 32.168 13.022 1.00 0.00 H -ATOM 3598 O1 TIP3A1200 40.107 17.234 38.062 1.00 0.00 O -ATOM 3599 H1 TIP3A1200 40.387 16.995 37.179 1.00 0.00 H -ATOM 3600 H2 TIP3A1200 39.336 17.786 37.929 1.00 0.00 H -ATOM 3601 O1 TIP3A1201 45.523 3.705 46.249 1.00 0.00 O -ATOM 3602 H1 TIP3A1201 46.158 4.382 46.018 1.00 0.00 H -ATOM 3603 H2 TIP3A1201 45.945 3.209 46.952 1.00 0.00 H -ATOM 3604 O1 TIP3A1202 32.314 35.015 13.805 1.00 0.00 O -ATOM 3605 H1 TIP3A1202 31.697 34.620 14.420 1.00 0.00 H -ATOM 3606 H2 TIP3A1202 31.760 35.432 13.144 1.00 0.00 H -ATOM 3607 O1 TIP3A1203 37.242 34.329 24.925 1.00 0.00 O -ATOM 3608 H1 TIP3A1203 37.651 34.970 24.345 1.00 0.00 H -ATOM 3609 H2 TIP3A1203 37.762 34.366 25.728 1.00 0.00 H -ATOM 3610 O1 TIP3A1204 32.995 44.158 7.656 1.00 0.00 O -ATOM 3611 H1 TIP3A1204 32.850 43.212 7.651 1.00 0.00 H -ATOM 3612 H2 TIP3A1204 32.124 44.534 7.788 1.00 0.00 H -ATOM 3613 O1 TIP3A1205 40.859 8.610 54.485 1.00 0.00 O -ATOM 3614 H1 TIP3A1205 40.400 9.384 54.809 1.00 0.00 H -ATOM 3615 H2 TIP3A1205 40.863 8.714 53.533 1.00 0.00 H -ATOM 3616 O1 TIP3A1206 14.145 25.600 6.580 1.00 0.00 O -ATOM 3617 H1 TIP3A1206 14.248 25.425 5.645 1.00 0.00 H -ATOM 3618 H2 TIP3A1206 13.226 25.853 6.677 1.00 0.00 H -ATOM 3619 O1 TIP3A1207 56.310 49.429 23.807 1.00 0.00 O -ATOM 3620 H1 TIP3A1207 56.885 48.814 23.351 1.00 0.00 H -ATOM 3621 H2 TIP3A1207 55.698 48.872 24.289 1.00 0.00 H -ATOM 3622 O1 TIP3A1208 29.510 33.457 29.812 1.00 0.00 O -ATOM 3623 H1 TIP3A1208 29.146 32.642 30.156 1.00 0.00 H -ATOM 3624 H2 TIP3A1208 30.437 33.426 30.051 1.00 0.00 H -ATOM 3625 O1 TIP3A1209 15.476 38.625 34.281 1.00 0.00 O -ATOM 3626 H1 TIP3A1209 15.038 39.371 33.872 1.00 0.00 H -ATOM 3627 H2 TIP3A1209 15.117 38.593 35.169 1.00 0.00 H -ATOM 3628 O1 TIP3A1210 42.155 16.248 12.950 1.00 0.00 O -ATOM 3629 H1 TIP3A1210 41.510 15.633 12.603 1.00 0.00 H -ATOM 3630 H2 TIP3A1210 42.991 15.786 12.879 1.00 0.00 H -ATOM 3631 O1 TIP3A1211 29.854 55.971 34.428 1.00 0.00 O -ATOM 3632 H1 TIP3A1211 30.631 56.444 34.724 1.00 0.00 H -ATOM 3633 H2 TIP3A1211 30.196 55.159 34.052 1.00 0.00 H -ATOM 3634 O1 TIP3A1212 51.534 42.358 14.795 1.00 0.00 O -ATOM 3635 H1 TIP3A1212 51.939 41.515 14.994 1.00 0.00 H -ATOM 3636 H2 TIP3A1212 52.203 42.836 14.303 1.00 0.00 H -ATOM 3637 O1 TIP3A1213 56.990 46.373 10.784 1.00 0.00 O -ATOM 3638 H1 TIP3A1213 56.922 45.445 11.007 1.00 0.00 H -ATOM 3639 H2 TIP3A1213 56.137 46.739 11.018 1.00 0.00 H -ATOM 3640 O1 TIP3A1214 26.167 27.763 18.862 1.00 0.00 O -ATOM 3641 H1 TIP3A1214 26.063 27.940 19.796 1.00 0.00 H -ATOM 3642 H2 TIP3A1214 26.426 28.604 18.485 1.00 0.00 H -ATOM 3643 O1 TIP3A1215 39.300 43.555 53.088 1.00 0.00 O -ATOM 3644 H1 TIP3A1215 39.693 44.196 53.681 1.00 0.00 H -ATOM 3645 H2 TIP3A1215 38.371 43.553 53.319 1.00 0.00 H -ATOM 3646 O1 TIP3A1216 44.084 47.645 13.091 1.00 0.00 O -ATOM 3647 H1 TIP3A1216 43.628 46.890 12.722 1.00 0.00 H -ATOM 3648 H2 TIP3A1216 43.392 48.171 13.492 1.00 0.00 H -ATOM 3649 O1 TIP3A1217 3.791 39.959 46.803 1.00 0.00 O -ATOM 3650 H1 TIP3A1217 4.470 39.612 46.224 1.00 0.00 H -ATOM 3651 H2 TIP3A1217 4.014 40.884 46.907 1.00 0.00 H -ATOM 3652 O1 TIP3A1218 44.633 41.221 39.833 1.00 0.00 O -ATOM 3653 H1 TIP3A1218 45.108 41.786 40.442 1.00 0.00 H -ATOM 3654 H2 TIP3A1218 43.710 41.415 39.996 1.00 0.00 H -ATOM 3655 O1 TIP3A1219 51.520 28.676 28.619 1.00 0.00 O -ATOM 3656 H1 TIP3A1219 50.972 27.908 28.777 1.00 0.00 H -ATOM 3657 H2 TIP3A1219 51.541 28.764 27.666 1.00 0.00 H -ATOM 3658 O1 TIP3A1220 46.463 51.113 19.576 1.00 0.00 O -ATOM 3659 H1 TIP3A1220 46.880 50.263 19.710 1.00 0.00 H -ATOM 3660 H2 TIP3A1220 45.896 50.986 18.815 1.00 0.00 H -ATOM 3661 O1 TIP3A1221 11.372 42.304 44.197 1.00 0.00 O -ATOM 3662 H1 TIP3A1221 10.627 42.397 44.790 1.00 0.00 H -ATOM 3663 H2 TIP3A1221 11.774 41.471 44.445 1.00 0.00 H -ATOM 3664 O1 TIP3A1222 26.641 41.473 30.363 1.00 0.00 O -ATOM 3665 H1 TIP3A1222 26.328 40.574 30.267 1.00 0.00 H -ATOM 3666 H2 TIP3A1222 27.483 41.484 29.906 1.00 0.00 H -ATOM 3667 O1 TIP3A1223 28.687 19.079 11.590 1.00 0.00 O -ATOM 3668 H1 TIP3A1223 27.827 18.873 11.954 1.00 0.00 H -ATOM 3669 H2 TIP3A1223 28.716 18.605 10.758 1.00 0.00 H -ATOM 3670 O1 TIP3A1224 12.931 42.082 56.414 1.00 0.00 O -ATOM 3671 H1 TIP3A1224 11.976 42.066 56.353 1.00 0.00 H -ATOM 3672 H2 TIP3A1224 13.173 41.180 56.627 1.00 0.00 H -ATOM 3673 O1 TIP3A1225 21.853 51.152 17.773 1.00 0.00 O -ATOM 3674 H1 TIP3A1225 21.365 50.329 17.789 1.00 0.00 H -ATOM 3675 H2 TIP3A1225 21.622 51.584 18.596 1.00 0.00 H -ATOM 3676 O1 TIP3A1226 29.109 45.534 6.579 1.00 0.00 O -ATOM 3677 H1 TIP3A1226 28.893 44.625 6.782 1.00 0.00 H -ATOM 3678 H2 TIP3A1226 29.755 45.782 7.241 1.00 0.00 H -ATOM 3679 O1 TIP3A1227 19.649 52.007 48.982 1.00 0.00 O -ATOM 3680 H1 TIP3A1227 19.801 51.128 49.325 1.00 0.00 H -ATOM 3681 H2 TIP3A1227 20.091 52.587 49.603 1.00 0.00 H -ATOM 3682 O1 TIP3A1228 20.782 38.415 19.657 1.00 0.00 O -ATOM 3683 H1 TIP3A1228 20.208 39.122 19.948 1.00 0.00 H -ATOM 3684 H2 TIP3A1228 20.676 37.731 20.320 1.00 0.00 H -ATOM 3685 O1 TIP3A1229 24.540 6.683 36.748 1.00 0.00 O -ATOM 3686 H1 TIP3A1229 24.463 7.636 36.756 1.00 0.00 H -ATOM 3687 H2 TIP3A1229 23.819 6.379 37.300 1.00 0.00 H -ATOM 3688 O1 TIP3A1230 32.873 40.075 53.293 1.00 0.00 O -ATOM 3689 H1 TIP3A1230 32.717 39.144 53.444 1.00 0.00 H -ATOM 3690 H2 TIP3A1230 32.258 40.313 52.599 1.00 0.00 H -ATOM 3691 O1 TIP3A1231 16.736 46.844 29.080 1.00 0.00 O -ATOM 3692 H1 TIP3A1231 17.343 46.985 29.806 1.00 0.00 H -ATOM 3693 H2 TIP3A1231 16.424 47.721 28.854 1.00 0.00 H -ATOM 3694 O1 TIP3A1232 51.926 51.346 36.882 1.00 0.00 O -ATOM 3695 H1 TIP3A1232 50.996 51.381 37.102 1.00 0.00 H -ATOM 3696 H2 TIP3A1232 52.318 52.061 37.384 1.00 0.00 H -ATOM 3697 O1 TIP3A1233 56.151 57.547 15.388 1.00 0.00 O -ATOM 3698 H1 TIP3A1233 55.315 57.872 15.056 1.00 0.00 H -ATOM 3699 H2 TIP3A1233 56.525 57.056 14.655 1.00 0.00 H -ATOM 3700 O1 TIP3A1234 27.131 31.667 36.203 1.00 0.00 O -ATOM 3701 H1 TIP3A1234 27.770 32.379 36.201 1.00 0.00 H -ATOM 3702 H2 TIP3A1234 26.511 31.904 36.893 1.00 0.00 H -ATOM 3703 O1 TIP3A1235 43.073 41.684 9.217 1.00 0.00 O -ATOM 3704 H1 TIP3A1235 42.689 40.981 8.695 1.00 0.00 H -ATOM 3705 H2 TIP3A1235 43.929 41.346 9.481 1.00 0.00 H -ATOM 3706 O1 TIP3A1236 36.051 17.971 1.656 1.00 0.00 O -ATOM 3707 H1 TIP3A1236 35.718 17.124 1.952 1.00 0.00 H -ATOM 3708 H2 TIP3A1236 35.779 18.029 0.739 1.00 0.00 H -ATOM 3709 O1 TIP3A1237 53.247 15.532 56.822 1.00 0.00 O -ATOM 3710 H1 TIP3A1237 53.969 15.986 57.255 1.00 0.00 H -ATOM 3711 H2 TIP3A1237 52.766 16.224 56.367 1.00 0.00 H -ATOM 3712 O1 TIP3A1238 53.384 23.998 43.018 1.00 0.00 O -ATOM 3713 H1 TIP3A1238 53.830 23.836 42.188 1.00 0.00 H -ATOM 3714 H2 TIP3A1238 52.946 24.841 42.895 1.00 0.00 H -ATOM 3715 O1 TIP3A1239 29.066 6.931 57.575 1.00 0.00 O -ATOM 3716 H1 TIP3A1239 28.909 6.203 56.975 1.00 0.00 H -ATOM 3717 H2 TIP3A1239 29.964 6.799 57.882 1.00 0.00 H -ATOM 3718 O1 TIP3A1240 0.526 54.734 51.037 1.00 0.00 O -ATOM 3719 H1 TIP3A1240 1.261 54.686 51.647 1.00 0.00 H -ATOM 3720 H2 TIP3A1240 0.646 53.982 50.456 1.00 0.00 H -ATOM 3721 O1 TIP3A1241 17.119 37.637 40.739 1.00 0.00 O -ATOM 3722 H1 TIP3A1241 17.289 37.093 41.508 1.00 0.00 H -ATOM 3723 H2 TIP3A1241 16.174 37.789 40.757 1.00 0.00 H -ATOM 3724 O1 TIP3A1242 30.714 28.081 9.142 1.00 0.00 O -ATOM 3725 H1 TIP3A1242 30.829 28.723 9.842 1.00 0.00 H -ATOM 3726 H2 TIP3A1242 29.996 27.524 9.443 1.00 0.00 H -ATOM 3727 O1 TIP3A1243 51.057 10.626 32.367 1.00 0.00 O -ATOM 3728 H1 TIP3A1243 50.718 11.519 32.422 1.00 0.00 H -ATOM 3729 H2 TIP3A1243 50.956 10.388 31.444 1.00 0.00 H -ATOM 3730 O1 TIP3A1244 6.314 20.608 53.906 1.00 0.00 O -ATOM 3731 H1 TIP3A1244 7.144 20.199 53.665 1.00 0.00 H -ATOM 3732 H2 TIP3A1244 6.139 21.231 53.200 1.00 0.00 H -ATOM 3733 O1 TIP3A1245 56.512 42.697 10.097 1.00 0.00 O -ATOM 3734 H1 TIP3A1245 55.948 42.656 9.325 1.00 0.00 H -ATOM 3735 H2 TIP3A1245 56.409 41.842 10.516 1.00 0.00 H -ATOM 3736 O1 TIP3A1246 40.681 25.592 23.244 1.00 0.00 O -ATOM 3737 H1 TIP3A1246 40.599 26.544 23.197 1.00 0.00 H -ATOM 3738 H2 TIP3A1246 40.113 25.267 22.545 1.00 0.00 H -ATOM 3739 O1 TIP3A1247 2.092 39.591 32.285 1.00 0.00 O -ATOM 3740 H1 TIP3A1247 1.605 39.922 31.532 1.00 0.00 H -ATOM 3741 H2 TIP3A1247 1.449 39.085 32.783 1.00 0.00 H -ATOM 3742 O1 TIP3A1248 22.162 28.687 44.816 1.00 0.00 O -ATOM 3743 H1 TIP3A1248 22.832 28.976 44.197 1.00 0.00 H -ATOM 3744 H2 TIP3A1248 21.547 28.180 44.284 1.00 0.00 H -ATOM 3745 O1 TIP3A1249 3.268 24.696 24.845 1.00 0.00 O -ATOM 3746 H1 TIP3A1249 3.405 24.924 25.764 1.00 0.00 H -ATOM 3747 H2 TIP3A1249 2.364 24.956 24.665 1.00 0.00 H -ATOM 3748 O1 TIP3A1250 11.725 47.142 13.106 1.00 0.00 O -ATOM 3749 H1 TIP3A1250 11.535 47.557 13.947 1.00 0.00 H -ATOM 3750 H2 TIP3A1250 11.634 46.204 13.275 1.00 0.00 H -ATOM 3751 O1 TIP3A1251 45.787 51.978 34.450 1.00 0.00 O -ATOM 3752 H1 TIP3A1251 45.173 52.504 34.960 1.00 0.00 H -ATOM 3753 H2 TIP3A1251 45.985 51.228 35.012 1.00 0.00 H -ATOM 3754 O1 TIP3A1252 7.380 1.948 35.611 1.00 0.00 O -ATOM 3755 H1 TIP3A1252 8.023 2.622 35.830 1.00 0.00 H -ATOM 3756 H2 TIP3A1252 6.671 2.081 36.240 1.00 0.00 H -ATOM 3757 O1 TIP3A1253 33.389 35.485 5.620 1.00 0.00 O -ATOM 3758 H1 TIP3A1253 34.105 34.883 5.422 1.00 0.00 H -ATOM 3759 H2 TIP3A1253 33.781 36.145 6.192 1.00 0.00 H -ATOM 3760 O1 TIP3A1254 20.794 16.252 24.614 1.00 0.00 O -ATOM 3761 H1 TIP3A1254 21.484 15.889 24.059 1.00 0.00 H -ATOM 3762 H2 TIP3A1254 20.026 15.711 24.426 1.00 0.00 H -ATOM 3763 O1 TIP3A1255 15.355 20.649 46.585 1.00 0.00 O -ATOM 3764 H1 TIP3A1255 15.657 21.557 46.583 1.00 0.00 H -ATOM 3765 H2 TIP3A1255 15.871 20.223 45.900 1.00 0.00 H -ATOM 3766 O1 TIP3A1256 4.726 53.541 53.225 1.00 0.00 O -ATOM 3767 H1 TIP3A1256 4.209 53.588 54.028 1.00 0.00 H -ATOM 3768 H2 TIP3A1256 5.346 54.268 53.295 1.00 0.00 H -ATOM 3769 O1 TIP3A1257 11.462 27.200 9.787 1.00 0.00 O -ATOM 3770 H1 TIP3A1257 11.993 27.269 8.994 1.00 0.00 H -ATOM 3771 H2 TIP3A1257 11.579 28.042 10.229 1.00 0.00 H -ATOM 3772 O1 TIP3A1258 55.794 42.682 48.921 1.00 0.00 O -ATOM 3773 H1 TIP3A1258 56.579 43.227 48.882 1.00 0.00 H -ATOM 3774 H2 TIP3A1258 56.053 41.923 49.444 1.00 0.00 H -ATOM 3775 O1 TIP3A1259 13.261 50.123 51.883 1.00 0.00 O -ATOM 3776 H1 TIP3A1259 13.711 49.289 51.753 1.00 0.00 H -ATOM 3777 H2 TIP3A1259 13.436 50.351 52.796 1.00 0.00 H -ATOM 3778 O1 TIP3A1260 23.425 29.146 47.434 1.00 0.00 O -ATOM 3779 H1 TIP3A1260 22.477 29.024 47.460 1.00 0.00 H -ATOM 3780 H2 TIP3A1260 23.764 28.327 47.073 1.00 0.00 H -ATOM 3781 O1 TIP3A1261 4.563 26.050 42.198 1.00 0.00 O -ATOM 3782 H1 TIP3A1261 5.512 25.969 42.277 1.00 0.00 H -ATOM 3783 H2 TIP3A1261 4.346 25.570 41.398 1.00 0.00 H -ATOM 3784 O1 TIP3A1262 51.682 50.302 14.570 1.00 0.00 O -ATOM 3785 H1 TIP3A1262 52.488 50.392 14.063 1.00 0.00 H -ATOM 3786 H2 TIP3A1262 51.094 50.964 14.205 1.00 0.00 H -ATOM 3787 O1 TIP3A1263 56.097 5.692 7.122 1.00 0.00 O -ATOM 3788 H1 TIP3A1263 56.864 6.217 6.898 1.00 0.00 H -ATOM 3789 H2 TIP3A1263 56.367 4.788 6.955 1.00 0.00 H -ATOM 3790 O1 TIP3A1264 43.081 27.671 27.250 1.00 0.00 O -ATOM 3791 H1 TIP3A1264 42.441 26.968 27.354 1.00 0.00 H -ATOM 3792 H2 TIP3A1264 43.349 27.886 28.144 1.00 0.00 H -ATOM 3793 O1 TIP3A1265 9.825 55.497 26.314 1.00 0.00 O -ATOM 3794 H1 TIP3A1265 9.081 55.285 25.752 1.00 0.00 H -ATOM 3795 H2 TIP3A1265 9.430 55.803 27.131 1.00 0.00 H -ATOM 3796 O1 TIP3A1266 47.678 34.198 0.851 1.00 0.00 O -ATOM 3797 H1 TIP3A1266 47.527 33.267 1.009 1.00 0.00 H -ATOM 3798 H2 TIP3A1266 48.566 34.356 1.173 1.00 0.00 H -ATOM 3799 O1 TIP3A1267 22.605 26.196 18.891 1.00 0.00 O -ATOM 3800 H1 TIP3A1267 22.915 26.804 19.561 1.00 0.00 H -ATOM 3801 H2 TIP3A1267 23.102 25.393 19.047 1.00 0.00 H -ATOM 3802 O1 TIP3A1268 3.160 8.515 49.314 1.00 0.00 O -ATOM 3803 H1 TIP3A1268 2.207 8.598 49.302 1.00 0.00 H -ATOM 3804 H2 TIP3A1268 3.474 9.283 48.837 1.00 0.00 H -ATOM 3805 O1 TIP3A1269 42.757 46.627 26.099 1.00 0.00 O -ATOM 3806 H1 TIP3A1269 42.657 47.138 26.902 1.00 0.00 H -ATOM 3807 H2 TIP3A1269 42.200 45.859 26.232 1.00 0.00 H -ATOM 3808 O1 TIP3A1270 9.775 29.963 10.381 1.00 0.00 O -ATOM 3809 H1 TIP3A1270 10.436 29.887 9.694 1.00 0.00 H -ATOM 3810 H2 TIP3A1270 9.021 30.360 9.945 1.00 0.00 H -ATOM 3811 O1 TIP3A1271 39.767 39.922 54.782 1.00 0.00 O -ATOM 3812 H1 TIP3A1271 40.099 40.806 54.625 1.00 0.00 H -ATOM 3813 H2 TIP3A1271 39.163 40.020 55.519 1.00 0.00 H -ATOM 3814 O1 TIP3A1272 20.475 48.295 41.133 1.00 0.00 O -ATOM 3815 H1 TIP3A1272 19.721 48.687 41.572 1.00 0.00 H -ATOM 3816 H2 TIP3A1272 21.111 49.007 41.064 1.00 0.00 H -ATOM 3817 O1 TIP3A1273 11.020 57.531 34.170 1.00 0.00 O -ATOM 3818 H1 TIP3A1273 11.283 57.696 35.075 1.00 0.00 H -ATOM 3819 H2 TIP3A1273 10.081 57.349 34.222 1.00 0.00 H -ATOM 3820 O1 TIP3A1274 49.240 55.410 53.711 1.00 0.00 O -ATOM 3821 H1 TIP3A1274 48.309 55.584 53.578 1.00 0.00 H -ATOM 3822 H2 TIP3A1274 49.511 54.937 52.923 1.00 0.00 H -ATOM 3823 O1 TIP3A1275 55.696 24.953 45.193 1.00 0.00 O -ATOM 3824 H1 TIP3A1275 54.985 25.408 45.643 1.00 0.00 H -ATOM 3825 H2 TIP3A1275 55.346 24.763 44.321 1.00 0.00 H -ATOM 3826 O1 TIP3A1276 11.223 13.985 5.699 1.00 0.00 O -ATOM 3827 H1 TIP3A1276 11.558 13.089 5.688 1.00 0.00 H -ATOM 3828 H2 TIP3A1276 11.634 14.385 6.466 1.00 0.00 H -ATOM 3829 O1 TIP3A1277 26.605 0.722 55.999 1.00 0.00 O -ATOM 3830 H1 TIP3A1277 25.935 1.404 56.017 1.00 0.00 H -ATOM 3831 H2 TIP3A1277 26.315 0.084 56.652 1.00 0.00 H -ATOM 3832 O1 TIP3A1278 57.396 49.148 38.674 1.00 0.00 O -ATOM 3833 H1 TIP3A1278 56.891 49.353 37.888 1.00 0.00 H -ATOM 3834 H2 TIP3A1278 57.687 50.000 39.001 1.00 0.00 H -ATOM 3835 O1 TIP3A1279 54.886 57.839 44.194 1.00 0.00 O -ATOM 3836 H1 TIP3A1279 55.832 57.845 44.049 1.00 0.00 H -ATOM 3837 H2 TIP3A1279 54.569 57.094 43.683 1.00 0.00 H -ATOM 3838 O1 TIP3A1280 56.478 41.199 32.765 1.00 0.00 O -ATOM 3839 H1 TIP3A1280 56.673 40.268 32.660 1.00 0.00 H -ATOM 3840 H2 TIP3A1280 57.083 41.495 33.446 1.00 0.00 H -ATOM 3841 O1 TIP3A1281 26.313 33.822 15.267 1.00 0.00 O -ATOM 3842 H1 TIP3A1281 26.221 34.288 16.098 1.00 0.00 H -ATOM 3843 H2 TIP3A1281 25.586 33.199 15.260 1.00 0.00 H -ATOM 3844 O1 TIP3A1282 34.607 21.167 57.257 1.00 0.00 O -ATOM 3845 H1 TIP3A1282 35.044 20.734 57.990 1.00 0.00 H -ATOM 3846 H2 TIP3A1282 34.336 20.451 56.682 1.00 0.00 H -ATOM 3847 O1 TIP3A1283 15.435 50.606 38.399 1.00 0.00 O -ATOM 3848 H1 TIP3A1283 15.556 51.337 39.004 1.00 0.00 H -ATOM 3849 H2 TIP3A1283 15.699 49.834 38.900 1.00 0.00 H -ATOM 3850 O1 TIP3A1284 56.661 15.990 6.919 1.00 0.00 O -ATOM 3851 H1 TIP3A1284 55.720 15.862 6.809 1.00 0.00 H -ATOM 3852 H2 TIP3A1284 56.791 16.932 6.803 1.00 0.00 H -ATOM 3853 O1 TIP3A1285 22.025 42.143 14.575 1.00 0.00 O -ATOM 3854 H1 TIP3A1285 21.070 42.112 14.526 1.00 0.00 H -ATOM 3855 H2 TIP3A1285 22.275 42.825 13.950 1.00 0.00 H -ATOM 3856 O1 TIP3A1286 30.828 9.450 17.245 1.00 0.00 O -ATOM 3857 H1 TIP3A1286 31.674 9.004 17.231 1.00 0.00 H -ATOM 3858 H2 TIP3A1286 31.004 10.311 16.865 1.00 0.00 H -ATOM 3859 O1 TIP3A1287 29.878 45.628 37.271 1.00 0.00 O -ATOM 3860 H1 TIP3A1287 28.958 45.370 37.298 1.00 0.00 H -ATOM 3861 H2 TIP3A1287 30.224 45.205 36.485 1.00 0.00 H -ATOM 3862 O1 TIP3A1288 2.398 34.051 41.234 1.00 0.00 O -ATOM 3863 H1 TIP3A1288 3.351 34.125 41.210 1.00 0.00 H -ATOM 3864 H2 TIP3A1288 2.188 33.426 40.539 1.00 0.00 H -ATOM 3865 O1 TIP3A1289 19.433 7.753 56.957 1.00 0.00 O -ATOM 3866 H1 TIP3A1289 18.880 8.115 57.649 1.00 0.00 H -ATOM 3867 H2 TIP3A1289 19.133 6.849 56.859 1.00 0.00 H -ATOM 3868 O1 TIP3A1290 2.704 30.185 56.827 1.00 0.00 O -ATOM 3869 H1 TIP3A1290 2.617 30.190 57.779 1.00 0.00 H -ATOM 3870 H2 TIP3A1290 1.891 29.787 56.514 1.00 0.00 H -ATOM 3871 O1 TIP3A1291 40.518 46.121 36.904 1.00 0.00 O -ATOM 3872 H1 TIP3A1291 41.082 46.758 37.340 1.00 0.00 H -ATOM 3873 H2 TIP3A1291 41.031 45.312 36.895 1.00 0.00 H -ATOM 3874 O1 TIP3A1292 41.785 4.973 23.922 1.00 0.00 O -ATOM 3875 H1 TIP3A1292 42.473 4.397 23.592 1.00 0.00 H -ATOM 3876 H2 TIP3A1292 41.015 4.754 23.396 1.00 0.00 H -ATOM 3877 O1 TIP3A1293 52.503 44.522 57.312 1.00 0.00 O -ATOM 3878 H1 TIP3A1293 52.554 43.641 57.682 1.00 0.00 H -ATOM 3879 H2 TIP3A1293 53.388 44.875 57.410 1.00 0.00 H -ATOM 3880 O1 TIP3A1294 5.456 16.028 48.222 1.00 0.00 O -ATOM 3881 H1 TIP3A1294 4.706 15.436 48.198 1.00 0.00 H -ATOM 3882 H2 TIP3A1294 5.098 16.880 47.971 1.00 0.00 H -ATOM 3883 O1 TIP3A1295 18.594 49.873 47.651 1.00 0.00 O -ATOM 3884 H1 TIP3A1295 17.665 49.914 47.876 1.00 0.00 H -ATOM 3885 H2 TIP3A1295 18.884 49.022 47.980 1.00 0.00 H -ATOM 3886 O1 TIP3A1296 24.890 26.357 3.279 1.00 0.00 O -ATOM 3887 H1 TIP3A1296 24.872 26.755 2.409 1.00 0.00 H -ATOM 3888 H2 TIP3A1296 24.625 25.448 3.132 1.00 0.00 H -ATOM 3889 O1 TIP3A1297 45.730 48.397 19.479 1.00 0.00 O -ATOM 3890 H1 TIP3A1297 45.011 48.929 19.140 1.00 0.00 H -ATOM 3891 H2 TIP3A1297 45.425 47.494 19.386 1.00 0.00 H -ATOM 3892 O1 TIP3A1298 14.739 18.981 50.816 1.00 0.00 O -ATOM 3893 H1 TIP3A1298 15.525 19.037 51.359 1.00 0.00 H -ATOM 3894 H2 TIP3A1298 14.835 18.156 50.339 1.00 0.00 H -ATOM 3895 O1 TIP3A1299 34.217 13.009 40.757 1.00 0.00 O -ATOM 3896 H1 TIP3A1299 34.953 12.464 40.481 1.00 0.00 H -ATOM 3897 H2 TIP3A1299 33.974 13.500 39.971 1.00 0.00 H -ATOM 3898 O1 TIP3A1300 2.246 24.754 56.189 1.00 0.00 O -ATOM 3899 H1 TIP3A1300 2.392 23.839 56.430 1.00 0.00 H -ATOM 3900 H2 TIP3A1300 2.992 25.222 56.566 1.00 0.00 H -ATOM 3901 O1 TIP3A1301 46.486 14.390 41.758 1.00 0.00 O -ATOM 3902 H1 TIP3A1301 47.292 14.796 42.074 1.00 0.00 H -ATOM 3903 H2 TIP3A1301 45.791 14.802 42.271 1.00 0.00 H -ATOM 3904 O1 TIP3A1302 29.833 23.796 56.369 1.00 0.00 O -ATOM 3905 H1 TIP3A1302 30.568 24.107 56.896 1.00 0.00 H -ATOM 3906 H2 TIP3A1302 29.070 23.897 56.939 1.00 0.00 H -ATOM 3907 O1 TIP3A1303 15.146 10.058 13.680 1.00 0.00 O -ATOM 3908 H1 TIP3A1303 14.924 9.192 14.018 1.00 0.00 H -ATOM 3909 H2 TIP3A1303 14.650 10.131 12.864 1.00 0.00 H -ATOM 3910 O1 TIP3A1304 29.611 57.406 45.304 1.00 0.00 O -ATOM 3911 H1 TIP3A1304 29.059 58.000 44.796 1.00 0.00 H -ATOM 3912 H2 TIP3A1304 30.441 57.874 45.401 1.00 0.00 H -ATOM 3913 O1 TIP3A1305 56.342 53.189 39.573 1.00 0.00 O -ATOM 3914 H1 TIP3A1305 57.271 53.282 39.781 1.00 0.00 H -ATOM 3915 H2 TIP3A1305 56.306 52.464 38.949 1.00 0.00 H -ATOM 3916 O1 TIP3A1306 39.835 25.543 36.582 1.00 0.00 O -ATOM 3917 H1 TIP3A1306 39.584 25.999 35.779 1.00 0.00 H -ATOM 3918 H2 TIP3A1306 39.004 25.334 37.008 1.00 0.00 H -ATOM 3919 O1 TIP3A1307 54.911 49.287 17.941 1.00 0.00 O -ATOM 3920 H1 TIP3A1307 53.984 49.487 18.066 1.00 0.00 H -ATOM 3921 H2 TIP3A1307 55.329 49.564 18.757 1.00 0.00 H -ATOM 3922 O1 TIP3A1308 53.107 26.525 20.538 1.00 0.00 O -ATOM 3923 H1 TIP3A1308 52.576 26.526 19.742 1.00 0.00 H -ATOM 3924 H2 TIP3A1308 52.577 26.051 21.180 1.00 0.00 H -ATOM 3925 O1 TIP3A1309 37.831 50.317 39.838 1.00 0.00 O -ATOM 3926 H1 TIP3A1309 38.169 51.208 39.756 1.00 0.00 H -ATOM 3927 H2 TIP3A1309 37.833 50.146 40.781 1.00 0.00 H -ATOM 3928 O1 TIP3A1310 19.053 8.674 9.810 1.00 0.00 O -ATOM 3929 H1 TIP3A1310 19.951 8.987 9.711 1.00 0.00 H -ATOM 3930 H2 TIP3A1310 19.128 7.719 9.796 1.00 0.00 H -ATOM 3931 O1 TIP3A1311 19.104 25.326 46.909 1.00 0.00 O -ATOM 3932 H1 TIP3A1311 18.842 24.469 46.574 1.00 0.00 H -ATOM 3933 H2 TIP3A1311 18.858 25.308 47.834 1.00 0.00 H -ATOM 3934 O1 TIP3A1312 37.802 56.243 50.359 1.00 0.00 O -ATOM 3935 H1 TIP3A1312 37.276 55.450 50.262 1.00 0.00 H -ATOM 3936 H2 TIP3A1312 37.626 56.747 49.564 1.00 0.00 H -ATOM 3937 O1 TIP3A1313 18.349 36.699 21.377 1.00 0.00 O -ATOM 3938 H1 TIP3A1313 19.227 36.648 21.753 1.00 0.00 H -ATOM 3939 H2 TIP3A1313 18.472 37.141 20.537 1.00 0.00 H -ATOM 3940 O1 TIP3A1314 42.933 31.985 20.377 1.00 0.00 O -ATOM 3941 H1 TIP3A1314 43.645 31.437 20.706 1.00 0.00 H -ATOM 3942 H2 TIP3A1314 42.992 31.909 19.424 1.00 0.00 H -ATOM 3943 O1 TIP3A1315 26.635 41.975 13.556 1.00 0.00 O -ATOM 3944 H1 TIP3A1315 26.413 42.745 14.078 1.00 0.00 H -ATOM 3945 H2 TIP3A1315 26.649 42.294 12.653 1.00 0.00 H -ATOM 3946 O1 TIP3A1316 53.332 6.838 29.068 1.00 0.00 O -ATOM 3947 H1 TIP3A1316 54.102 7.378 28.894 1.00 0.00 H -ATOM 3948 H2 TIP3A1316 53.189 6.921 30.012 1.00 0.00 H -ATOM 3949 O1 TIP3A1317 55.903 28.532 0.749 1.00 0.00 O -ATOM 3950 H1 TIP3A1317 56.720 28.053 0.616 1.00 0.00 H -ATOM 3951 H2 TIP3A1317 55.218 27.867 0.666 1.00 0.00 H -ATOM 3952 O1 TIP3A1318 46.836 16.465 48.112 1.00 0.00 O -ATOM 3953 H1 TIP3A1318 46.915 17.197 47.502 1.00 0.00 H -ATOM 3954 H2 TIP3A1318 46.271 16.795 48.811 1.00 0.00 H -ATOM 3955 O1 TIP3A1319 9.319 39.793 4.297 1.00 0.00 O -ATOM 3956 H1 TIP3A1319 9.198 40.666 3.925 1.00 0.00 H -ATOM 3957 H2 TIP3A1319 8.541 39.652 4.837 1.00 0.00 H -ATOM 3958 O1 TIP3A1320 21.695 43.990 57.637 1.00 0.00 O -ATOM 3959 H1 TIP3A1320 20.815 43.913 58.005 1.00 0.00 H -ATOM 3960 H2 TIP3A1320 22.034 44.810 57.995 1.00 0.00 H -ATOM 3961 O1 TIP3A1321 25.733 45.139 20.892 1.00 0.00 O -ATOM 3962 H1 TIP3A1321 25.085 45.843 20.890 1.00 0.00 H -ATOM 3963 H2 TIP3A1321 26.402 45.427 20.270 1.00 0.00 H -ATOM 3964 O1 TIP3A1322 29.332 33.593 43.070 1.00 0.00 O -ATOM 3965 H1 TIP3A1322 29.298 33.733 44.015 1.00 0.00 H -ATOM 3966 H2 TIP3A1322 28.703 32.890 42.908 1.00 0.00 H -ATOM 3967 O1 TIP3A1323 55.554 51.634 36.888 1.00 0.00 O -ATOM 3968 H1 TIP3A1323 55.099 52.425 36.601 1.00 0.00 H -ATOM 3969 H2 TIP3A1323 56.382 51.646 36.405 1.00 0.00 H -ATOM 3970 O1 TIP3A1324 36.473 14.487 10.466 1.00 0.00 O -ATOM 3971 H1 TIP3A1324 36.841 15.057 11.140 1.00 0.00 H -ATOM 3972 H2 TIP3A1324 35.625 14.881 10.256 1.00 0.00 H -ATOM 3973 O1 TIP3A1325 12.360 51.454 57.935 1.00 0.00 O -ATOM 3974 H1 TIP3A1325 11.676 50.890 57.575 1.00 0.00 H -ATOM 3975 H2 TIP3A1325 11.949 52.316 58.006 1.00 0.00 H -ATOM 3976 O1 TIP3A1326 2.375 4.945 52.741 1.00 0.00 O -ATOM 3977 H1 TIP3A1326 2.194 4.908 51.802 1.00 0.00 H -ATOM 3978 H2 TIP3A1326 3.267 5.287 52.800 1.00 0.00 H -ATOM 3979 O1 TIP3A1327 18.041 4.858 10.604 1.00 0.00 O -ATOM 3980 H1 TIP3A1327 17.220 5.133 11.011 1.00 0.00 H -ATOM 3981 H2 TIP3A1327 18.345 5.632 10.129 1.00 0.00 H -ATOM 3982 O1 TIP3A1328 56.093 42.547 51.733 1.00 0.00 O -ATOM 3983 H1 TIP3A1328 55.299 42.881 51.318 1.00 0.00 H -ATOM 3984 H2 TIP3A1328 56.667 43.311 51.803 1.00 0.00 H -ATOM 3985 O1 TIP3A1329 16.198 52.619 36.009 1.00 0.00 O -ATOM 3986 H1 TIP3A1329 15.602 52.037 36.479 1.00 0.00 H -ATOM 3987 H2 TIP3A1329 17.069 52.374 36.322 1.00 0.00 H -ATOM 3988 O1 TIP3A1330 23.177 0.940 56.923 1.00 0.00 O -ATOM 3989 H1 TIP3A1330 22.646 1.049 56.135 1.00 0.00 H -ATOM 3990 H2 TIP3A1330 22.813 0.165 57.353 1.00 0.00 H -ATOM 3991 O1 TIP3A1331 23.881 2.292 7.655 1.00 0.00 O -ATOM 3992 H1 TIP3A1331 24.486 1.587 7.427 1.00 0.00 H -ATOM 3993 H2 TIP3A1331 23.044 2.021 7.277 1.00 0.00 H -ATOM 3994 O1 TIP3A1332 26.257 22.520 44.046 1.00 0.00 O -ATOM 3995 H1 TIP3A1332 26.001 23.138 44.730 1.00 0.00 H -ATOM 3996 H2 TIP3A1332 25.468 22.003 43.882 1.00 0.00 H -ATOM 3997 O1 TIP3A1333 33.448 32.586 22.873 1.00 0.00 O -ATOM 3998 H1 TIP3A1333 34.036 33.338 22.944 1.00 0.00 H -ATOM 3999 H2 TIP3A1333 32.572 32.954 22.995 1.00 0.00 H -ATOM 4000 O1 TIP3A1334 20.934 32.833 23.780 1.00 0.00 O -ATOM 4001 H1 TIP3A1334 21.410 32.019 23.618 1.00 0.00 H -ATOM 4002 H2 TIP3A1334 20.909 32.911 24.734 1.00 0.00 H -ATOM 4003 O1 TIP3A1335 48.945 38.671 24.796 1.00 0.00 O -ATOM 4004 H1 TIP3A1335 49.884 38.802 24.672 1.00 0.00 H -ATOM 4005 H2 TIP3A1335 48.613 39.534 25.045 1.00 0.00 H -ATOM 4006 O1 TIP3A1336 3.902 21.089 45.376 1.00 0.00 O -ATOM 4007 H1 TIP3A1336 4.358 21.841 45.752 1.00 0.00 H -ATOM 4008 H2 TIP3A1336 2.973 21.293 45.482 1.00 0.00 H -ATOM 4009 O1 TIP3A1337 14.704 17.488 42.287 1.00 0.00 O -ATOM 4010 H1 TIP3A1337 15.232 17.166 43.017 1.00 0.00 H -ATOM 4011 H2 TIP3A1337 14.943 18.412 42.206 1.00 0.00 H -ATOM 4012 O1 TIP3A1338 33.771 34.398 7.684 1.00 0.00 O -ATOM 4013 H1 TIP3A1338 34.129 33.548 7.430 1.00 0.00 H -ATOM 4014 H2 TIP3A1338 33.732 34.367 8.640 1.00 0.00 H -ATOM 4015 O1 TIP3A1339 38.842 57.145 45.712 1.00 0.00 O -ATOM 4016 H1 TIP3A1339 38.301 57.774 45.237 1.00 0.00 H -ATOM 4017 H2 TIP3A1339 39.713 57.235 45.323 1.00 0.00 H -ATOM 4018 O1 TIP3A1340 52.581 39.406 56.064 1.00 0.00 O -ATOM 4019 H1 TIP3A1340 53.182 40.117 56.287 1.00 0.00 H -ATOM 4020 H2 TIP3A1340 52.702 38.762 56.763 1.00 0.00 H -ATOM 4021 O1 TIP3A1341 51.622 8.817 6.073 1.00 0.00 O -ATOM 4022 H1 TIP3A1341 52.543 9.074 6.088 1.00 0.00 H -ATOM 4023 H2 TIP3A1341 51.587 8.082 5.460 1.00 0.00 H -ATOM 4024 O1 TIP3A1342 18.726 25.168 9.224 1.00 0.00 O -ATOM 4025 H1 TIP3A1342 18.853 24.353 9.708 1.00 0.00 H -ATOM 4026 H2 TIP3A1342 17.898 25.044 8.758 1.00 0.00 H -ATOM 4027 O1 TIP3A1343 10.021 30.983 54.316 1.00 0.00 O -ATOM 4028 H1 TIP3A1343 10.761 31.507 54.013 1.00 0.00 H -ATOM 4029 H2 TIP3A1343 10.265 30.080 54.109 1.00 0.00 H -ATOM 4030 O1 TIP3A1344 16.458 40.160 42.542 1.00 0.00 O -ATOM 4031 H1 TIP3A1344 16.518 40.442 43.454 1.00 0.00 H -ATOM 4032 H2 TIP3A1344 15.698 39.577 42.521 1.00 0.00 H -ATOM 4033 O1 TIP3A1345 15.038 53.976 46.093 1.00 0.00 O -ATOM 4034 H1 TIP3A1345 14.212 54.086 46.563 1.00 0.00 H -ATOM 4035 H2 TIP3A1345 15.575 54.717 46.374 1.00 0.00 H -ATOM 4036 O1 TIP3A1346 56.411 11.906 27.263 1.00 0.00 O -ATOM 4037 H1 TIP3A1346 57.037 12.628 27.307 1.00 0.00 H -ATOM 4038 H2 TIP3A1346 55.710 12.159 27.865 1.00 0.00 H -ATOM 4039 O1 TIP3A1347 57.616 31.716 27.833 1.00 0.00 O -ATOM 4040 H1 TIP3A1347 58.001 32.493 28.236 1.00 0.00 H -ATOM 4041 H2 TIP3A1347 57.610 31.061 28.532 1.00 0.00 H -ATOM 4042 O1 TIP3A1348 48.633 48.456 25.775 1.00 0.00 O -ATOM 4043 H1 TIP3A1348 48.324 47.552 25.835 1.00 0.00 H -ATOM 4044 H2 TIP3A1348 49.507 48.437 26.165 1.00 0.00 H -ATOM 4045 O1 TIP3A1349 41.878 17.109 15.287 1.00 0.00 O -ATOM 4046 H1 TIP3A1349 41.896 17.972 15.701 1.00 0.00 H -ATOM 4047 H2 TIP3A1349 42.792 16.933 15.062 1.00 0.00 H -ATOM 4048 O1 TIP3A1350 27.364 45.644 55.715 1.00 0.00 O -ATOM 4049 H1 TIP3A1350 26.657 45.002 55.777 1.00 0.00 H -ATOM 4050 H2 TIP3A1350 27.560 45.694 54.779 1.00 0.00 H -ATOM 4051 O1 TIP3A1351 27.871 27.661 16.457 1.00 0.00 O -ATOM 4052 H1 TIP3A1351 28.658 27.350 16.011 1.00 0.00 H -ATOM 4053 H2 TIP3A1351 28.168 28.412 16.972 1.00 0.00 H -ATOM 4054 O1 TIP3A1352 -0.001 52.322 12.842 1.00 0.00 O -ATOM 4055 H1 TIP3A1352 0.686 52.345 13.507 1.00 0.00 H -ATOM 4056 H2 TIP3A1352 0.028 53.188 12.435 1.00 0.00 H -ATOM 4057 O1 TIP3A1353 33.848 17.797 52.003 1.00 0.00 O -ATOM 4058 H1 TIP3A1353 34.801 17.716 51.963 1.00 0.00 H -ATOM 4059 H2 TIP3A1353 33.646 18.542 51.436 1.00 0.00 H -ATOM 4060 O1 TIP3A1354 37.491 23.790 1.888 1.00 0.00 O -ATOM 4061 H1 TIP3A1354 37.707 24.595 2.357 1.00 0.00 H -ATOM 4062 H2 TIP3A1354 38.286 23.575 1.400 1.00 0.00 H -ATOM 4063 O1 TIP3A1355 18.731 10.500 17.550 1.00 0.00 O -ATOM 4064 H1 TIP3A1355 18.695 10.594 16.598 1.00 0.00 H -ATOM 4065 H2 TIP3A1355 18.094 9.813 17.747 1.00 0.00 H -ATOM 4066 O1 TIP3A1356 18.921 36.410 0.020 1.00 0.00 O -ATOM 4067 H1 TIP3A1356 17.981 36.233 -0.004 1.00 0.00 H -ATOM 4068 H2 TIP3A1356 19.262 35.811 0.684 1.00 0.00 H -ATOM 4069 O1 TIP3A1357 1.010 48.888 11.154 1.00 0.00 O -ATOM 4070 H1 TIP3A1357 0.313 48.243 11.042 1.00 0.00 H -ATOM 4071 H2 TIP3A1357 1.670 48.439 11.683 1.00 0.00 H -ATOM 4072 O1 TIP3A1358 19.987 10.558 0.597 1.00 0.00 O -ATOM 4073 H1 TIP3A1358 19.074 10.380 0.820 1.00 0.00 H -ATOM 4074 H2 TIP3A1358 20.231 9.850 -0.000 1.00 0.00 H -ATOM 4075 O1 TIP3A1359 48.719 53.172 46.135 1.00 0.00 O -ATOM 4076 H1 TIP3A1359 48.169 53.757 46.654 1.00 0.00 H -ATOM 4077 H2 TIP3A1359 48.386 52.295 46.328 1.00 0.00 H -ATOM 4078 O1 TIP3A1360 26.816 27.813 32.346 1.00 0.00 O -ATOM 4079 H1 TIP3A1360 26.795 27.942 33.294 1.00 0.00 H -ATOM 4080 H2 TIP3A1360 27.407 28.495 32.024 1.00 0.00 H -ATOM 4081 O1 TIP3A1361 1.684 10.044 44.205 1.00 0.00 O -ATOM 4082 H1 TIP3A1361 1.600 10.609 43.437 1.00 0.00 H -ATOM 4083 H2 TIP3A1361 2.585 10.177 44.502 1.00 0.00 H -ATOM 4084 O1 TIP3A1362 13.234 1.381 49.517 1.00 0.00 O -ATOM 4085 H1 TIP3A1362 13.172 2.330 49.618 1.00 0.00 H -ATOM 4086 H2 TIP3A1362 12.394 1.050 49.837 1.00 0.00 H -ATOM 4087 O1 TIP3A1363 27.109 3.852 19.721 1.00 0.00 O -ATOM 4088 H1 TIP3A1363 28.045 3.688 19.832 1.00 0.00 H -ATOM 4089 H2 TIP3A1363 26.895 4.489 20.404 1.00 0.00 H -ATOM 4090 O1 TIP3A1364 28.240 13.254 11.027 1.00 0.00 O -ATOM 4091 H1 TIP3A1364 28.869 13.391 10.320 1.00 0.00 H -ATOM 4092 H2 TIP3A1364 27.957 12.345 10.924 1.00 0.00 H -ATOM 4093 O1 TIP3A1365 44.986 17.573 26.377 1.00 0.00 O -ATOM 4094 H1 TIP3A1365 45.406 18.379 26.080 1.00 0.00 H -ATOM 4095 H2 TIP3A1365 44.459 17.840 27.131 1.00 0.00 H -ATOM 4096 O1 TIP3A1366 45.436 7.485 31.167 1.00 0.00 O -ATOM 4097 H1 TIP3A1366 44.806 8.181 30.984 1.00 0.00 H -ATOM 4098 H2 TIP3A1366 46.119 7.909 31.687 1.00 0.00 H -ATOM 4099 O1 TIP3A1367 33.513 28.571 39.070 1.00 0.00 O -ATOM 4100 H1 TIP3A1367 32.633 28.236 38.900 1.00 0.00 H -ATOM 4101 H2 TIP3A1367 33.774 28.988 38.249 1.00 0.00 H -ATOM 4102 O1 TIP3A1368 8.228 8.616 0.290 1.00 0.00 O -ATOM 4103 H1 TIP3A1368 9.164 8.633 0.094 1.00 0.00 H -ATOM 4104 H2 TIP3A1368 7.928 9.506 0.106 1.00 0.00 H -ATOM 4105 O1 TIP3A1369 50.779 28.296 41.129 1.00 0.00 O -ATOM 4106 H1 TIP3A1369 50.441 29.191 41.154 1.00 0.00 H -ATOM 4107 H2 TIP3A1369 50.044 27.754 41.417 1.00 0.00 H -ATOM 4108 O1 TIP3A1370 9.506 51.226 35.989 1.00 0.00 O -ATOM 4109 H1 TIP3A1370 8.805 50.576 35.963 1.00 0.00 H -ATOM 4110 H2 TIP3A1370 10.311 50.708 36.041 1.00 0.00 H -ATOM 4111 O1 TIP3A1371 0.553 10.211 1.107 1.00 0.00 O -ATOM 4112 H1 TIP3A1371 -0.000 9.431 1.138 1.00 0.00 H -ATOM 4113 H2 TIP3A1371 0.379 10.662 1.933 1.00 0.00 H -ATOM 4114 O1 TIP3A1372 50.125 51.235 47.280 1.00 0.00 O -ATOM 4115 H1 TIP3A1372 50.322 51.865 47.972 1.00 0.00 H -ATOM 4116 H2 TIP3A1372 50.935 51.172 46.774 1.00 0.00 H -ATOM 4117 O1 TIP3A1373 33.359 30.292 54.977 1.00 0.00 O -ATOM 4118 H1 TIP3A1373 33.916 29.518 54.903 1.00 0.00 H -ATOM 4119 H2 TIP3A1373 32.649 30.137 54.353 1.00 0.00 H -ATOM 4120 O1 TIP3A1374 11.911 0.157 25.018 1.00 0.00 O -ATOM 4121 H1 TIP3A1374 11.236 0.771 25.308 1.00 0.00 H -ATOM 4122 H2 TIP3A1374 12.528 0.696 24.522 1.00 0.00 H -ATOM 4123 O1 TIP3A1375 37.319 33.850 38.672 1.00 0.00 O -ATOM 4124 H1 TIP3A1375 37.328 34.527 37.996 1.00 0.00 H -ATOM 4125 H2 TIP3A1375 38.244 33.695 38.868 1.00 0.00 H -ATOM 4126 O1 TIP3A1376 10.515 33.168 17.699 1.00 0.00 O -ATOM 4127 H1 TIP3A1376 9.632 32.866 17.911 1.00 0.00 H -ATOM 4128 H2 TIP3A1376 10.385 34.025 17.293 1.00 0.00 H -ATOM 4129 O1 TIP3A1377 12.047 49.889 12.398 1.00 0.00 O -ATOM 4130 H1 TIP3A1377 12.626 49.205 12.063 1.00 0.00 H -ATOM 4131 H2 TIP3A1377 11.310 49.412 12.782 1.00 0.00 H -ATOM 4132 O1 TIP3A1378 21.531 49.249 23.081 1.00 0.00 O -ATOM 4133 H1 TIP3A1378 20.584 49.127 23.019 1.00 0.00 H -ATOM 4134 H2 TIP3A1378 21.661 49.694 23.919 1.00 0.00 H -ATOM 4135 O1 TIP3A1379 11.572 22.417 38.220 1.00 0.00 O -ATOM 4136 H1 TIP3A1379 12.211 22.698 37.566 1.00 0.00 H -ATOM 4137 H2 TIP3A1379 11.150 23.227 38.507 1.00 0.00 H -ATOM 4138 O1 TIP3A1380 50.939 0.518 4.266 1.00 0.00 O -ATOM 4139 H1 TIP3A1380 50.855 0.563 3.315 1.00 0.00 H -ATOM 4140 H2 TIP3A1380 51.803 0.891 4.448 1.00 0.00 H -ATOM 4141 O1 TIP3A1381 50.206 12.014 41.403 1.00 0.00 O -ATOM 4142 H1 TIP3A1381 50.818 11.703 42.070 1.00 0.00 H -ATOM 4143 H2 TIP3A1381 49.576 11.299 41.303 1.00 0.00 H -ATOM 4144 O1 TIP3A1382 14.533 56.688 56.115 1.00 0.00 O -ATOM 4145 H1 TIP3A1382 14.475 55.738 56.020 1.00 0.00 H -ATOM 4146 H2 TIP3A1382 14.145 57.034 55.311 1.00 0.00 H -ATOM 4147 O1 TIP3A1383 49.007 54.398 43.061 1.00 0.00 O -ATOM 4148 H1 TIP3A1383 48.730 55.215 43.472 1.00 0.00 H -ATOM 4149 H2 TIP3A1383 49.936 54.529 42.866 1.00 0.00 H -ATOM 4150 O1 TIP3A1384 42.348 31.341 30.833 1.00 0.00 O -ATOM 4151 H1 TIP3A1384 41.885 30.504 30.809 1.00 0.00 H -ATOM 4152 H2 TIP3A1384 43.014 31.266 30.149 1.00 0.00 H -ATOM 4153 O1 TIP3A1385 14.160 8.487 54.342 1.00 0.00 O -ATOM 4154 H1 TIP3A1385 14.853 7.845 54.187 1.00 0.00 H -ATOM 4155 H2 TIP3A1385 14.529 9.086 54.991 1.00 0.00 H -ATOM 4156 O1 TIP3A1386 37.403 44.354 10.400 1.00 0.00 O -ATOM 4157 H1 TIP3A1386 37.414 43.811 11.187 1.00 0.00 H -ATOM 4158 H2 TIP3A1386 36.912 43.838 9.759 1.00 0.00 H -ATOM 4159 O1 TIP3A1387 13.761 20.472 31.459 1.00 0.00 O -ATOM 4160 H1 TIP3A1387 14.018 21.128 32.105 1.00 0.00 H -ATOM 4161 H2 TIP3A1387 13.310 19.797 31.967 1.00 0.00 H -ATOM 4162 O1 TIP3A1388 31.596 54.292 0.710 1.00 0.00 O -ATOM 4163 H1 TIP3A1388 30.953 53.730 1.142 1.00 0.00 H -ATOM 4164 H2 TIP3A1388 31.109 54.711 -0.000 1.00 0.00 H -ATOM 4165 O1 TIP3A1389 31.899 0.794 5.029 1.00 0.00 O -ATOM 4166 H1 TIP3A1389 32.101 0.465 4.154 1.00 0.00 H -ATOM 4167 H2 TIP3A1389 31.261 1.493 4.881 1.00 0.00 H -ATOM 4168 O1 TIP3A1390 45.855 49.437 42.156 1.00 0.00 O -ATOM 4169 H1 TIP3A1390 46.727 49.203 41.839 1.00 0.00 H -ATOM 4170 H2 TIP3A1390 45.615 50.212 41.648 1.00 0.00 H -ATOM 4171 O1 TIP3A1391 4.602 16.939 2.906 1.00 0.00 O -ATOM 4172 H1 TIP3A1391 4.854 16.985 3.827 1.00 0.00 H -ATOM 4173 H2 TIP3A1391 4.499 16.003 2.731 1.00 0.00 H -ATOM 4174 O1 TIP3A1392 2.200 57.130 50.914 1.00 0.00 O -ATOM 4175 H1 TIP3A1392 3.156 57.159 50.880 1.00 0.00 H -ATOM 4176 H2 TIP3A1392 1.942 58.018 51.161 1.00 0.00 H -ATOM 4177 O1 TIP3A1393 14.938 11.940 6.461 1.00 0.00 O -ATOM 4178 H1 TIP3A1393 14.410 12.725 6.316 1.00 0.00 H -ATOM 4179 H2 TIP3A1393 14.543 11.524 7.228 1.00 0.00 H -ATOM 4180 O1 TIP3A1394 11.154 2.063 43.019 1.00 0.00 O -ATOM 4181 H1 TIP3A1394 10.986 2.667 42.297 1.00 0.00 H -ATOM 4182 H2 TIP3A1394 11.960 2.388 43.421 1.00 0.00 H -ATOM 4183 O1 TIP3A1395 10.641 6.961 22.943 1.00 0.00 O -ATOM 4184 H1 TIP3A1395 9.774 7.250 23.227 1.00 0.00 H -ATOM 4185 H2 TIP3A1395 10.785 7.415 22.112 1.00 0.00 H -ATOM 4186 O1 TIP3A1396 53.460 35.786 42.622 1.00 0.00 O -ATOM 4187 H1 TIP3A1396 53.305 34.842 42.612 1.00 0.00 H -ATOM 4188 H2 TIP3A1396 52.801 36.144 42.026 1.00 0.00 H -ATOM 4189 O1 TIP3A1397 35.560 51.254 1.959 1.00 0.00 O -ATOM 4190 H1 TIP3A1397 35.879 51.871 1.301 1.00 0.00 H -ATOM 4191 H2 TIP3A1397 36.161 51.358 2.697 1.00 0.00 H -ATOM 4192 O1 TIP3A1398 38.245 55.915 25.319 1.00 0.00 O -ATOM 4193 H1 TIP3A1398 37.816 55.898 26.174 1.00 0.00 H -ATOM 4194 H2 TIP3A1398 37.525 55.962 24.689 1.00 0.00 H -ATOM 4195 O1 TIP3A1399 15.453 34.255 39.408 1.00 0.00 O -ATOM 4196 H1 TIP3A1399 14.954 33.631 39.934 1.00 0.00 H -ATOM 4197 H2 TIP3A1399 15.809 33.731 38.689 1.00 0.00 H -ATOM 4198 O1 TIP3A1400 12.746 55.915 40.889 1.00 0.00 O -ATOM 4199 H1 TIP3A1400 13.397 55.236 41.057 1.00 0.00 H -ATOM 4200 H2 TIP3A1400 12.408 56.143 41.755 1.00 0.00 H -ATOM 4201 O1 TIP3A1401 41.379 45.515 12.122 1.00 0.00 O -ATOM 4202 H1 TIP3A1401 41.466 44.586 11.911 1.00 0.00 H -ATOM 4203 H2 TIP3A1401 40.700 45.834 11.527 1.00 0.00 H -ATOM 4204 O1 TIP3A1402 41.928 13.307 41.874 1.00 0.00 O -ATOM 4205 H1 TIP3A1402 41.179 13.885 42.015 1.00 0.00 H -ATOM 4206 H2 TIP3A1402 41.932 12.728 42.637 1.00 0.00 H -ATOM 4207 O1 TIP3A1403 6.454 32.486 9.236 1.00 0.00 O -ATOM 4208 H1 TIP3A1403 7.305 32.060 9.131 1.00 0.00 H -ATOM 4209 H2 TIP3A1403 6.568 33.350 8.839 1.00 0.00 H -ATOM 4210 O1 TIP3A1404 21.407 13.950 9.933 1.00 0.00 O -ATOM 4211 H1 TIP3A1404 21.346 13.770 8.996 1.00 0.00 H -ATOM 4212 H2 TIP3A1404 21.657 13.111 10.323 1.00 0.00 H -ATOM 4213 O1 TIP3A1405 23.715 23.591 15.641 1.00 0.00 O -ATOM 4214 H1 TIP3A1405 24.154 22.746 15.554 1.00 0.00 H -ATOM 4215 H2 TIP3A1405 24.379 24.234 15.390 1.00 0.00 H -ATOM 4216 O1 TIP3A1406 30.359 23.887 26.229 1.00 0.00 O -ATOM 4217 H1 TIP3A1406 30.302 23.149 26.835 1.00 0.00 H -ATOM 4218 H2 TIP3A1406 29.865 23.604 25.459 1.00 0.00 H -ATOM 4219 O1 TIP3A1407 41.241 3.914 55.189 1.00 0.00 O -ATOM 4220 H1 TIP3A1407 41.135 4.180 56.102 1.00 0.00 H -ATOM 4221 H2 TIP3A1407 41.087 4.714 54.686 1.00 0.00 H -ATOM 4222 O1 TIP3A1408 38.400 26.121 31.919 1.00 0.00 O -ATOM 4223 H1 TIP3A1408 38.071 25.680 31.136 1.00 0.00 H -ATOM 4224 H2 TIP3A1408 38.592 27.013 31.628 1.00 0.00 H -ATOM 4225 O1 TIP3A1409 57.156 4.361 18.100 1.00 0.00 O -ATOM 4226 H1 TIP3A1409 56.546 3.878 18.655 1.00 0.00 H -ATOM 4227 H2 TIP3A1409 58.022 4.139 18.443 1.00 0.00 H -ATOM 4228 O1 TIP3A1410 32.073 41.393 20.413 1.00 0.00 O -ATOM 4229 H1 TIP3A1410 31.246 41.095 20.036 1.00 0.00 H -ATOM 4230 H2 TIP3A1410 32.744 41.043 19.826 1.00 0.00 H -ATOM 4231 O1 TIP3A1411 14.461 41.527 17.120 1.00 0.00 O -ATOM 4232 H1 TIP3A1411 15.013 40.876 17.553 1.00 0.00 H -ATOM 4233 H2 TIP3A1411 13.883 41.850 17.812 1.00 0.00 H -ATOM 4234 O1 TIP3A1412 36.227 40.657 47.029 1.00 0.00 O -ATOM 4235 H1 TIP3A1412 35.409 40.466 46.571 1.00 0.00 H -ATOM 4236 H2 TIP3A1412 36.335 39.928 47.642 1.00 0.00 H -ATOM 4237 O1 TIP3A1413 49.702 56.695 45.582 1.00 0.00 O -ATOM 4238 H1 TIP3A1413 49.280 55.836 45.574 1.00 0.00 H -ATOM 4239 H2 TIP3A1413 49.254 57.189 44.895 1.00 0.00 H -ATOM 4240 O1 TIP3A1414 4.813 36.708 45.127 1.00 0.00 O -ATOM 4241 H1 TIP3A1414 5.256 37.517 45.379 1.00 0.00 H -ATOM 4242 H2 TIP3A1414 4.566 36.300 45.957 1.00 0.00 H -ATOM 4243 O1 TIP3A1415 47.918 22.164 6.511 1.00 0.00 O -ATOM 4244 H1 TIP3A1415 48.345 22.990 6.737 1.00 0.00 H -ATOM 4245 H2 TIP3A1415 47.585 21.829 7.344 1.00 0.00 H -ATOM 4246 O1 TIP3A1416 54.349 53.030 46.542 1.00 0.00 O -ATOM 4247 H1 TIP3A1416 53.775 52.944 45.782 1.00 0.00 H -ATOM 4248 H2 TIP3A1416 53.799 52.790 47.288 1.00 0.00 H -ATOM 4249 O1 TIP3A1417 43.344 15.852 10.588 1.00 0.00 O -ATOM 4250 H1 TIP3A1417 44.005 16.448 10.940 1.00 0.00 H -ATOM 4251 H2 TIP3A1417 43.456 15.903 9.639 1.00 0.00 H -ATOM 4252 O1 TIP3A1418 30.032 15.343 27.933 1.00 0.00 O -ATOM 4253 H1 TIP3A1418 29.480 16.102 28.119 1.00 0.00 H -ATOM 4254 H2 TIP3A1418 30.858 15.716 27.626 1.00 0.00 H -ATOM 4255 O1 TIP3A1419 44.182 34.145 27.672 1.00 0.00 O -ATOM 4256 H1 TIP3A1419 43.839 34.966 28.024 1.00 0.00 H -ATOM 4257 H2 TIP3A1419 43.446 33.535 27.727 1.00 0.00 H -ATOM 4258 O1 TIP3A1420 26.839 15.447 57.783 1.00 0.00 O -ATOM 4259 H1 TIP3A1420 27.662 15.010 58.000 1.00 0.00 H -ATOM 4260 H2 TIP3A1420 26.311 14.769 57.359 1.00 0.00 H -ATOM 4261 O1 TIP3A1421 47.136 15.649 13.611 1.00 0.00 O -ATOM 4262 H1 TIP3A1421 46.190 15.694 13.475 1.00 0.00 H -ATOM 4263 H2 TIP3A1421 47.256 14.927 14.228 1.00 0.00 H -ATOM 4264 O1 TIP3A1422 28.867 3.624 47.672 1.00 0.00 O -ATOM 4265 H1 TIP3A1422 29.305 4.441 47.435 1.00 0.00 H -ATOM 4266 H2 TIP3A1422 28.413 3.824 48.491 1.00 0.00 H -ATOM 4267 O1 TIP3A1423 54.227 15.190 20.711 1.00 0.00 O -ATOM 4268 H1 TIP3A1423 54.973 15.757 20.520 1.00 0.00 H -ATOM 4269 H2 TIP3A1423 53.467 15.772 20.678 1.00 0.00 H -ATOM 4270 O1 TIP3A1424 53.477 29.323 20.031 1.00 0.00 O -ATOM 4271 H1 TIP3A1424 52.533 29.413 20.152 1.00 0.00 H -ATOM 4272 H2 TIP3A1424 53.572 28.620 19.388 1.00 0.00 H -ATOM 4273 O1 TIP3A1425 25.734 30.816 6.107 1.00 0.00 O -ATOM 4274 H1 TIP3A1425 26.415 31.474 5.971 1.00 0.00 H -ATOM 4275 H2 TIP3A1425 25.921 30.139 5.456 1.00 0.00 H -ATOM 4276 O1 TIP3A1426 5.969 52.761 33.308 1.00 0.00 O -ATOM 4277 H1 TIP3A1426 5.290 53.434 33.267 1.00 0.00 H -ATOM 4278 H2 TIP3A1426 5.683 52.174 34.009 1.00 0.00 H -ATOM 4279 O1 TIP3A1427 18.969 2.662 28.557 1.00 0.00 O -ATOM 4280 H1 TIP3A1427 19.835 2.327 28.328 1.00 0.00 H -ATOM 4281 H2 TIP3A1427 18.398 2.353 27.852 1.00 0.00 H -ATOM 4282 O1 TIP3A1428 42.292 19.109 8.392 1.00 0.00 O -ATOM 4283 H1 TIP3A1428 42.806 18.356 8.680 1.00 0.00 H -ATOM 4284 H2 TIP3A1428 42.766 19.868 8.733 1.00 0.00 H -ATOM 4285 O1 TIP3A1429 51.171 52.738 12.270 1.00 0.00 O -ATOM 4286 H1 TIP3A1429 51.920 52.906 12.841 1.00 0.00 H -ATOM 4287 H2 TIP3A1429 51.108 53.520 11.720 1.00 0.00 H -ATOM 4288 O1 TIP3A1430 20.005 8.230 46.225 1.00 0.00 O -ATOM 4289 H1 TIP3A1430 20.813 8.699 46.429 1.00 0.00 H -ATOM 4290 H2 TIP3A1430 19.907 8.322 45.276 1.00 0.00 H -ATOM 4291 O1 TIP3A1431 6.225 29.583 12.129 1.00 0.00 O -ATOM 4292 H1 TIP3A1431 5.887 28.863 11.598 1.00 0.00 H -ATOM 4293 H2 TIP3A1431 6.130 30.357 11.572 1.00 0.00 H -ATOM 4294 O1 TIP3A1432 4.345 30.190 26.778 1.00 0.00 O -ATOM 4295 H1 TIP3A1432 4.386 29.424 26.207 1.00 0.00 H -ATOM 4296 H2 TIP3A1432 4.060 30.902 26.204 1.00 0.00 H -ATOM 4297 O1 TIP3A1433 52.155 48.229 48.487 1.00 0.00 O -ATOM 4298 H1 TIP3A1433 51.769 48.887 49.064 1.00 0.00 H -ATOM 4299 H2 TIP3A1433 52.023 47.399 48.948 1.00 0.00 H -ATOM 4300 O1 TIP3A1434 39.899 2.045 39.842 1.00 0.00 O -ATOM 4301 H1 TIP3A1434 39.903 2.707 40.533 1.00 0.00 H -ATOM 4302 H2 TIP3A1434 40.178 2.516 39.057 1.00 0.00 H -ATOM 4303 O1 TIP3A1435 21.100 26.775 1.109 1.00 0.00 O -ATOM 4304 H1 TIP3A1435 21.988 26.525 1.363 1.00 0.00 H -ATOM 4305 H2 TIP3A1435 20.916 27.562 1.622 1.00 0.00 H -ATOM 4306 O1 TIP3A1436 14.203 14.518 1.238 1.00 0.00 O -ATOM 4307 H1 TIP3A1436 13.951 13.664 1.587 1.00 0.00 H -ATOM 4308 H2 TIP3A1436 14.997 14.750 1.721 1.00 0.00 H -ATOM 4309 O1 TIP3A1437 42.378 38.049 23.986 1.00 0.00 O -ATOM 4310 H1 TIP3A1437 42.487 37.099 23.995 1.00 0.00 H -ATOM 4311 H2 TIP3A1437 41.856 38.239 24.766 1.00 0.00 H -ATOM 4312 O1 TIP3A1438 29.342 20.098 15.453 1.00 0.00 O -ATOM 4313 H1 TIP3A1438 29.705 20.315 14.595 1.00 0.00 H -ATOM 4314 H2 TIP3A1438 29.933 20.520 16.077 1.00 0.00 H -ATOM 4315 O1 TIP3A1439 20.585 36.443 39.615 1.00 0.00 O -ATOM 4316 H1 TIP3A1439 20.485 37.386 39.496 1.00 0.00 H -ATOM 4317 H2 TIP3A1439 19.999 36.054 38.965 1.00 0.00 H -ATOM 4318 O1 TIP3A1440 26.105 50.518 24.691 1.00 0.00 O -ATOM 4319 H1 TIP3A1440 26.037 49.581 24.874 1.00 0.00 H -ATOM 4320 H2 TIP3A1440 25.502 50.665 23.962 1.00 0.00 H -ATOM 4321 O1 TIP3A1441 50.830 43.132 49.746 1.00 0.00 O -ATOM 4322 H1 TIP3A1441 50.708 43.674 48.967 1.00 0.00 H -ATOM 4323 H2 TIP3A1441 51.122 43.744 50.422 1.00 0.00 H -ATOM 4324 O1 TIP3A1442 42.492 53.662 0.622 1.00 0.00 O -ATOM 4325 H1 TIP3A1442 41.619 53.620 0.231 1.00 0.00 H -ATOM 4326 H2 TIP3A1442 42.998 54.209 0.021 1.00 0.00 H -ATOM 4327 O1 TIP3A1443 32.412 9.467 41.862 1.00 0.00 O -ATOM 4328 H1 TIP3A1443 32.175 10.393 41.901 1.00 0.00 H -ATOM 4329 H2 TIP3A1443 33.183 9.440 41.294 1.00 0.00 H -ATOM 4330 O1 TIP3A1444 12.427 27.966 53.723 1.00 0.00 O -ATOM 4331 H1 TIP3A1444 11.709 27.394 53.994 1.00 0.00 H -ATOM 4332 H2 TIP3A1444 12.035 28.554 53.077 1.00 0.00 H -ATOM 4333 O1 TIP3A1445 18.745 46.316 51.830 1.00 0.00 O -ATOM 4334 H1 TIP3A1445 17.892 46.694 52.043 1.00 0.00 H -ATOM 4335 H2 TIP3A1445 19.318 47.072 51.701 1.00 0.00 H -ATOM 4336 O1 TIP3A1446 18.096 4.857 29.709 1.00 0.00 O -ATOM 4337 H1 TIP3A1446 17.494 4.192 29.379 1.00 0.00 H -ATOM 4338 H2 TIP3A1446 17.666 5.690 29.513 1.00 0.00 H -ATOM 4339 O1 TIP3A1447 6.017 44.430 12.764 1.00 0.00 O -ATOM 4340 H1 TIP3A1447 5.995 44.840 11.900 1.00 0.00 H -ATOM 4341 H2 TIP3A1447 5.229 44.751 13.202 1.00 0.00 H -ATOM 4342 O1 TIP3A1448 56.630 18.327 27.105 1.00 0.00 O -ATOM 4343 H1 TIP3A1448 56.800 18.011 26.218 1.00 0.00 H -ATOM 4344 H2 TIP3A1448 57.464 18.702 27.390 1.00 0.00 H -ATOM 4345 O1 TIP3A1449 21.614 49.286 36.123 1.00 0.00 O -ATOM 4346 H1 TIP3A1449 21.548 50.217 35.913 1.00 0.00 H -ATOM 4347 H2 TIP3A1449 20.724 48.950 36.008 1.00 0.00 H -ATOM 4348 O1 TIP3A1450 47.779 50.762 12.633 1.00 0.00 O -ATOM 4349 H1 TIP3A1450 48.020 51.579 12.197 1.00 0.00 H -ATOM 4350 H2 TIP3A1450 47.230 51.035 13.368 1.00 0.00 H -ATOM 4351 O1 TIP3A1451 30.939 39.790 0.516 1.00 0.00 O -ATOM 4352 H1 TIP3A1451 30.715 38.873 0.356 1.00 0.00 H -ATOM 4353 H2 TIP3A1451 30.305 40.286 -0.003 1.00 0.00 H -ATOM 4354 O1 TIP3A1452 14.811 12.492 49.408 1.00 0.00 O -ATOM 4355 H1 TIP3A1452 15.765 12.475 49.345 1.00 0.00 H -ATOM 4356 H2 TIP3A1452 14.602 13.397 49.642 1.00 0.00 H -ATOM 4357 O1 TIP3A1453 32.532 6.336 20.934 1.00 0.00 O -ATOM 4358 H1 TIP3A1453 32.078 6.514 21.757 1.00 0.00 H -ATOM 4359 H2 TIP3A1453 33.450 6.230 21.185 1.00 0.00 H -ATOM 4360 O1 TIP3A1454 9.759 16.722 16.213 1.00 0.00 O -ATOM 4361 H1 TIP3A1454 9.890 17.017 17.114 1.00 0.00 H -ATOM 4362 H2 TIP3A1454 8.975 16.174 16.252 1.00 0.00 H -ATOM 4363 O1 TIP3A1455 22.005 47.074 0.929 1.00 0.00 O -ATOM 4364 H1 TIP3A1455 22.161 46.911 -0.001 1.00 0.00 H -ATOM 4365 H2 TIP3A1455 21.235 47.644 0.947 1.00 0.00 H -ATOM 4366 O1 TIP3A1456 16.967 10.959 7.903 1.00 0.00 O -ATOM 4367 H1 TIP3A1456 17.909 10.797 7.951 1.00 0.00 H -ATOM 4368 H2 TIP3A1456 16.567 10.140 8.198 1.00 0.00 H -ATOM 4369 O1 TIP3A1457 18.633 47.652 55.620 1.00 0.00 O -ATOM 4370 H1 TIP3A1457 19.255 48.302 55.293 1.00 0.00 H -ATOM 4371 H2 TIP3A1457 18.444 47.931 56.516 1.00 0.00 H -ATOM 4372 O1 TIP3A1458 25.864 12.253 23.941 1.00 0.00 O -ATOM 4373 H1 TIP3A1458 25.948 11.425 24.413 1.00 0.00 H -ATOM 4374 H2 TIP3A1458 24.962 12.256 23.619 1.00 0.00 H -ATOM 4375 O1 TIP3A1459 21.474 34.738 32.494 1.00 0.00 O -ATOM 4376 H1 TIP3A1459 20.882 35.489 32.477 1.00 0.00 H -ATOM 4377 H2 TIP3A1459 22.150 34.950 31.849 1.00 0.00 H -ATOM 4378 O1 TIP3A1460 38.807 23.168 39.899 1.00 0.00 O -ATOM 4379 H1 TIP3A1460 39.311 23.974 39.799 1.00 0.00 H -ATOM 4380 H2 TIP3A1460 38.263 23.319 40.672 1.00 0.00 H -ATOM 4381 O1 TIP3A1461 17.042 9.216 20.850 1.00 0.00 O -ATOM 4382 H1 TIP3A1461 16.244 9.442 21.327 1.00 0.00 H -ATOM 4383 H2 TIP3A1461 17.736 9.255 21.509 1.00 0.00 H -ATOM 4384 O1 TIP3A1462 53.635 47.668 57.979 1.00 0.00 O -ATOM 4385 H1 TIP3A1462 53.807 47.026 57.291 1.00 0.00 H -ATOM 4386 H2 TIP3A1462 54.425 48.208 58.008 1.00 0.00 H -ATOM 4387 O1 TIP3A1463 50.249 23.495 24.459 1.00 0.00 O -ATOM 4388 H1 TIP3A1463 49.751 23.826 25.206 1.00 0.00 H -ATOM 4389 H2 TIP3A1463 50.529 22.619 24.726 1.00 0.00 H -ATOM 4390 O1 TIP3A1464 27.283 12.003 44.764 1.00 0.00 O -ATOM 4391 H1 TIP3A1464 26.573 11.372 44.880 1.00 0.00 H -ATOM 4392 H2 TIP3A1464 27.662 11.783 43.912 1.00 0.00 H -ATOM 4393 O1 TIP3A1465 48.688 52.370 49.379 1.00 0.00 O -ATOM 4394 H1 TIP3A1465 48.324 52.994 50.005 1.00 0.00 H -ATOM 4395 H2 TIP3A1465 48.113 52.434 48.615 1.00 0.00 H -ATOM 4396 O1 TIP3A1466 13.361 51.753 39.792 1.00 0.00 O -ATOM 4397 H1 TIP3A1466 13.650 51.488 40.665 1.00 0.00 H -ATOM 4398 H2 TIP3A1466 13.117 52.674 39.889 1.00 0.00 H -ATOM 4399 O1 TIP3A1467 0.402 40.718 19.679 1.00 0.00 O -ATOM 4400 H1 TIP3A1467 -0.003 40.053 19.123 1.00 0.00 H -ATOM 4401 H2 TIP3A1467 -0.005 41.541 19.405 1.00 0.00 H -ATOM 4402 O1 TIP3A1468 23.139 19.751 41.157 1.00 0.00 O -ATOM 4403 H1 TIP3A1468 22.486 20.445 41.078 1.00 0.00 H -ATOM 4404 H2 TIP3A1468 22.679 18.956 40.882 1.00 0.00 H -ATOM 4405 O1 TIP3A1469 32.093 16.670 10.428 1.00 0.00 O -ATOM 4406 H1 TIP3A1469 31.942 16.830 11.359 1.00 0.00 H -ATOM 4407 H2 TIP3A1469 31.545 15.912 10.223 1.00 0.00 H -ATOM 4408 O1 TIP3A1470 10.851 50.627 26.508 1.00 0.00 O -ATOM 4409 H1 TIP3A1470 10.151 50.293 27.067 1.00 0.00 H -ATOM 4410 H2 TIP3A1470 10.412 50.866 25.691 1.00 0.00 H -ATOM 4411 O1 TIP3A1471 4.297 56.869 56.536 1.00 0.00 O -ATOM 4412 H1 TIP3A1471 4.774 56.431 57.240 1.00 0.00 H -ATOM 4413 H2 TIP3A1471 3.928 56.155 56.015 1.00 0.00 H -ATOM 4414 O1 TIP3A1472 9.189 8.078 30.170 1.00 0.00 O -ATOM 4415 H1 TIP3A1472 9.694 8.798 29.795 1.00 0.00 H -ATOM 4416 H2 TIP3A1472 9.477 7.304 29.684 1.00 0.00 H -ATOM 4417 O1 TIP3A1473 38.190 52.180 29.584 1.00 0.00 O -ATOM 4418 H1 TIP3A1473 37.333 52.273 29.169 1.00 0.00 H -ATOM 4419 H2 TIP3A1473 37.996 51.905 30.480 1.00 0.00 H -ATOM 4420 O1 TIP3A1474 3.022 14.533 31.568 1.00 0.00 O -ATOM 4421 H1 TIP3A1474 2.169 14.669 31.156 1.00 0.00 H -ATOM 4422 H2 TIP3A1474 3.495 15.352 31.416 1.00 0.00 H -ATOM 4423 O1 TIP3A1475 41.738 31.676 48.127 1.00 0.00 O -ATOM 4424 H1 TIP3A1475 42.674 31.480 48.153 1.00 0.00 H -ATOM 4425 H2 TIP3A1475 41.378 31.044 47.504 1.00 0.00 H -ATOM 4426 O1 TIP3A1476 4.067 6.160 27.422 1.00 0.00 O -ATOM 4427 H1 TIP3A1476 3.609 6.523 28.179 1.00 0.00 H -ATOM 4428 H2 TIP3A1476 3.379 5.743 26.902 1.00 0.00 H -ATOM 4429 O1 TIP3A1477 57.474 55.578 38.095 1.00 0.00 O -ATOM 4430 H1 TIP3A1477 57.563 56.326 38.684 1.00 0.00 H -ATOM 4431 H2 TIP3A1477 56.774 55.050 38.480 1.00 0.00 H -ATOM 4432 O1 TIP3A1478 48.068 37.370 16.307 1.00 0.00 O -ATOM 4433 H1 TIP3A1478 47.954 38.248 16.670 1.00 0.00 H -ATOM 4434 H2 TIP3A1478 48.651 36.928 16.926 1.00 0.00 H -ATOM 4435 O1 TIP3A1479 17.210 23.921 45.040 1.00 0.00 O -ATOM 4436 H1 TIP3A1479 17.857 23.244 44.846 1.00 0.00 H -ATOM 4437 H2 TIP3A1479 16.677 23.978 44.247 1.00 0.00 H -ATOM 4438 O1 TIP3A1480 32.950 19.630 44.349 1.00 0.00 O -ATOM 4439 H1 TIP3A1480 33.400 19.005 43.783 1.00 0.00 H -ATOM 4440 H2 TIP3A1480 33.629 19.942 44.949 1.00 0.00 H -ATOM 4441 O1 TIP3A1481 13.585 4.308 44.851 1.00 0.00 O -ATOM 4442 H1 TIP3A1481 13.153 3.468 44.999 1.00 0.00 H -ATOM 4443 H2 TIP3A1481 14.165 4.416 45.606 1.00 0.00 H -ATOM 4444 O1 TIP3A1482 1.127 53.023 22.044 1.00 0.00 O -ATOM 4445 H1 TIP3A1482 0.890 53.946 21.957 1.00 0.00 H -ATOM 4446 H2 TIP3A1482 1.945 52.939 21.554 1.00 0.00 H -ATOM 4447 O1 TIP3A1483 39.094 18.406 35.522 1.00 0.00 O -ATOM 4448 H1 TIP3A1483 38.876 17.480 35.627 1.00 0.00 H -ATOM 4449 H2 TIP3A1483 38.248 18.853 35.510 1.00 0.00 H -ATOM 4450 O1 TIP3A1484 55.790 28.592 15.292 1.00 0.00 O -ATOM 4451 H1 TIP3A1484 55.339 28.620 14.449 1.00 0.00 H -ATOM 4452 H2 TIP3A1484 56.470 29.263 15.222 1.00 0.00 H -ATOM 4453 O1 TIP3A1485 7.885 42.482 38.728 1.00 0.00 O -ATOM 4454 H1 TIP3A1485 7.709 42.145 39.606 1.00 0.00 H -ATOM 4455 H2 TIP3A1485 8.673 42.017 38.446 1.00 0.00 H -ATOM 4456 O1 TIP3A1486 23.082 13.579 34.425 1.00 0.00 O -ATOM 4457 H1 TIP3A1486 22.220 13.315 34.745 1.00 0.00 H -ATOM 4458 H2 TIP3A1486 22.914 13.951 33.559 1.00 0.00 H -ATOM 4459 O1 TIP3A1487 5.264 48.610 31.911 1.00 0.00 O -ATOM 4460 H1 TIP3A1487 4.426 48.968 32.202 1.00 0.00 H -ATOM 4461 H2 TIP3A1487 5.040 47.766 31.517 1.00 0.00 H -ATOM 4462 O1 TIP3A1488 55.943 11.234 0.798 1.00 0.00 O -ATOM 4463 H1 TIP3A1488 55.365 11.990 0.897 1.00 0.00 H -ATOM 4464 H2 TIP3A1488 56.669 11.555 0.263 1.00 0.00 H -ATOM 4465 O1 TIP3A1489 39.838 41.177 46.563 1.00 0.00 O -ATOM 4466 H1 TIP3A1489 40.517 41.626 47.065 1.00 0.00 H -ATOM 4467 H2 TIP3A1489 39.361 41.880 46.122 1.00 0.00 H -ATOM 4468 O1 TIP3A1490 26.286 39.852 42.405 1.00 0.00 O -ATOM 4469 H1 TIP3A1490 25.334 39.817 42.497 1.00 0.00 H -ATOM 4470 H2 TIP3A1490 26.619 39.411 43.187 1.00 0.00 H -ATOM 4471 O1 TIP3A1491 58.003 21.901 5.825 1.00 0.00 O -ATOM 4472 H1 TIP3A1491 57.439 22.552 6.241 1.00 0.00 H -ATOM 4473 H2 TIP3A1491 57.454 21.119 5.754 1.00 0.00 H -ATOM 4474 O1 TIP3A1492 28.214 43.111 16.350 1.00 0.00 O -ATOM 4475 H1 TIP3A1492 28.819 42.805 17.025 1.00 0.00 H -ATOM 4476 H2 TIP3A1492 28.713 43.048 15.534 1.00 0.00 H -ATOM 4477 O1 TIP3A1493 29.834 43.917 4.693 1.00 0.00 O -ATOM 4478 H1 TIP3A1493 30.496 43.228 4.644 1.00 0.00 H -ATOM 4479 H2 TIP3A1493 29.141 43.627 4.099 1.00 0.00 H -ATOM 4480 O1 TIP3A1494 18.419 1.224 23.465 1.00 0.00 O -ATOM 4481 H1 TIP3A1494 19.229 0.748 23.647 1.00 0.00 H -ATOM 4482 H2 TIP3A1494 18.710 2.055 23.088 1.00 0.00 H -ATOM 4483 O1 TIP3A1495 32.914 9.601 54.376 1.00 0.00 O -ATOM 4484 H1 TIP3A1495 33.398 8.871 53.991 1.00 0.00 H -ATOM 4485 H2 TIP3A1495 32.173 9.736 53.785 1.00 0.00 H -ATOM 4486 O1 TIP3A1496 29.737 41.928 33.997 1.00 0.00 O -ATOM 4487 H1 TIP3A1496 29.735 40.972 34.023 1.00 0.00 H -ATOM 4488 H2 TIP3A1496 28.952 42.156 33.497 1.00 0.00 H -ATOM 4489 O1 TIP3A1497 33.612 21.296 31.101 1.00 0.00 O -ATOM 4490 H1 TIP3A1497 33.737 21.930 30.395 1.00 0.00 H -ATOM 4491 H2 TIP3A1497 32.665 21.279 31.243 1.00 0.00 H -ATOM 4492 O1 TIP3A1498 4.445 26.146 7.054 1.00 0.00 O -ATOM 4493 H1 TIP3A1498 4.126 25.361 7.498 1.00 0.00 H -ATOM 4494 H2 TIP3A1498 5.191 26.433 7.581 1.00 0.00 H -ATOM 4495 O1 TIP3A1499 22.917 35.814 14.071 1.00 0.00 O -ATOM 4496 H1 TIP3A1499 22.171 35.740 13.478 1.00 0.00 H -ATOM 4497 H2 TIP3A1499 23.485 36.468 13.664 1.00 0.00 H -ATOM 4498 O1 TIP3A1500 45.444 2.202 43.756 1.00 0.00 O -ATOM 4499 H1 TIP3A1500 44.546 2.434 43.521 1.00 0.00 H -ATOM 4500 H2 TIP3A1500 45.988 2.712 43.155 1.00 0.00 H -ATOM 4501 O1 TIP3A1501 40.922 12.814 51.029 1.00 0.00 O -ATOM 4502 H1 TIP3A1501 40.140 13.157 51.461 1.00 0.00 H -ATOM 4503 H2 TIP3A1501 41.500 13.573 50.940 1.00 0.00 H -ATOM 4504 O1 TIP3A1502 32.610 53.768 2.594 1.00 0.00 O -ATOM 4505 H1 TIP3A1502 33.478 53.564 2.248 1.00 0.00 H -ATOM 4506 H2 TIP3A1502 32.741 53.847 3.539 1.00 0.00 H -ATOM 4507 O1 TIP3A1503 48.389 45.915 57.987 1.00 0.00 O -ATOM 4508 H1 TIP3A1503 48.842 45.170 57.593 1.00 0.00 H -ATOM 4509 H2 TIP3A1503 48.596 46.653 57.413 1.00 0.00 H -ATOM 4510 O1 TIP3A1504 57.987 22.360 57.845 1.00 0.00 O -ATOM 4511 H1 TIP3A1504 57.065 22.157 57.692 1.00 0.00 H -ATOM 4512 H2 TIP3A1504 58.002 23.305 58.001 1.00 0.00 H -ATOM 4513 O1 TIP3A1505 5.309 29.921 15.912 1.00 0.00 O -ATOM 4514 H1 TIP3A1505 4.453 29.532 16.087 1.00 0.00 H -ATOM 4515 H2 TIP3A1505 5.237 30.272 15.024 1.00 0.00 H -ATOM 4516 O1 TIP3A1506 10.723 8.154 56.022 1.00 0.00 O -ATOM 4517 H1 TIP3A1506 11.073 8.844 56.585 1.00 0.00 H -ATOM 4518 H2 TIP3A1506 10.065 8.595 55.484 1.00 0.00 H -ATOM 4519 O1 TIP3A1507 42.521 6.365 25.655 1.00 0.00 O -ATOM 4520 H1 TIP3A1507 43.465 6.511 25.617 1.00 0.00 H -ATOM 4521 H2 TIP3A1507 42.334 6.240 26.586 1.00 0.00 H -ATOM 4522 O1 TIP3A1508 47.900 34.463 52.267 1.00 0.00 O -ATOM 4523 H1 TIP3A1508 48.785 34.589 52.608 1.00 0.00 H -ATOM 4524 H2 TIP3A1508 47.996 33.791 51.591 1.00 0.00 H -ATOM 4525 O1 TIP3A1509 35.964 45.566 24.203 1.00 0.00 O -ATOM 4526 H1 TIP3A1509 35.464 45.421 25.005 1.00 0.00 H -ATOM 4527 H2 TIP3A1509 36.875 45.618 24.494 1.00 0.00 H -ATOM 4528 O1 TIP3A1510 41.442 29.208 13.832 1.00 0.00 O -ATOM 4529 H1 TIP3A1510 41.456 30.149 13.665 1.00 0.00 H -ATOM 4530 H2 TIP3A1510 41.037 28.832 13.049 1.00 0.00 H -ATOM 4531 O1 TIP3A1511 55.001 2.044 16.469 1.00 0.00 O -ATOM 4532 H1 TIP3A1511 55.617 2.129 17.195 1.00 0.00 H -ATOM 4533 H2 TIP3A1511 54.140 2.176 16.868 1.00 0.00 H -ATOM 4534 O1 TIP3A1512 36.042 1.689 31.340 1.00 0.00 O -ATOM 4535 H1 TIP3A1512 36.623 2.425 31.150 1.00 0.00 H -ATOM 4536 H2 TIP3A1512 36.136 1.108 30.585 1.00 0.00 H -ATOM 4537 O1 TIP3A1513 44.645 47.739 37.943 1.00 0.00 O -ATOM 4538 H1 TIP3A1513 43.961 47.305 37.435 1.00 0.00 H -ATOM 4539 H2 TIP3A1513 45.321 47.957 37.300 1.00 0.00 H -ATOM 4540 O1 TIP3A1514 23.821 22.955 18.466 1.00 0.00 O -ATOM 4541 H1 TIP3A1514 23.389 22.662 17.664 1.00 0.00 H -ATOM 4542 H2 TIP3A1514 24.342 23.711 18.196 1.00 0.00 H -ATOM 4543 O1 TIP3A1515 19.496 17.746 45.372 1.00 0.00 O -ATOM 4544 H1 TIP3A1515 19.086 16.881 45.395 1.00 0.00 H -ATOM 4545 H2 TIP3A1515 20.243 17.673 45.967 1.00 0.00 H -ATOM 4546 O1 TIP3A1516 30.324 5.111 29.392 1.00 0.00 O -ATOM 4547 H1 TIP3A1516 29.392 4.953 29.544 1.00 0.00 H -ATOM 4548 H2 TIP3A1516 30.755 4.309 29.689 1.00 0.00 H -ATOM 4549 O1 TIP3A1517 56.697 52.173 6.767 1.00 0.00 O -ATOM 4550 H1 TIP3A1517 56.747 53.052 7.142 1.00 0.00 H -ATOM 4551 H2 TIP3A1517 57.574 51.809 6.892 1.00 0.00 H -ATOM 4552 O1 TIP3A1518 7.958 39.630 32.708 1.00 0.00 O -ATOM 4553 H1 TIP3A1518 7.682 38.731 32.531 1.00 0.00 H -ATOM 4554 H2 TIP3A1518 7.456 40.161 32.090 1.00 0.00 H -ATOM 4555 O1 TIP3A1519 43.873 27.456 48.294 1.00 0.00 O -ATOM 4556 H1 TIP3A1519 44.308 26.604 48.314 1.00 0.00 H -ATOM 4557 H2 TIP3A1519 42.939 27.248 48.269 1.00 0.00 H -ATOM 4558 O1 TIP3A1520 2.021 17.094 14.399 1.00 0.00 O -ATOM 4559 H1 TIP3A1520 2.479 16.552 15.041 1.00 0.00 H -ATOM 4560 H2 TIP3A1520 1.813 16.494 13.682 1.00 0.00 H -ATOM 4561 O1 TIP3A1521 12.901 50.405 17.953 1.00 0.00 O -ATOM 4562 H1 TIP3A1521 12.072 50.093 18.313 1.00 0.00 H -ATOM 4563 H2 TIP3A1521 13.397 49.606 17.767 1.00 0.00 H -ATOM 4564 O1 TIP3A1522 31.409 28.691 27.794 1.00 0.00 O -ATOM 4565 H1 TIP3A1522 31.114 27.783 27.735 1.00 0.00 H -ATOM 4566 H2 TIP3A1522 30.885 29.069 28.501 1.00 0.00 H -ATOM 4567 O1 TIP3A1523 28.759 8.415 49.372 1.00 0.00 O -ATOM 4568 H1 TIP3A1523 27.826 8.203 49.358 1.00 0.00 H -ATOM 4569 H2 TIP3A1523 28.879 9.019 48.638 1.00 0.00 H -ATOM 4570 O1 TIP3A1524 32.139 25.186 13.852 1.00 0.00 O -ATOM 4571 H1 TIP3A1524 31.519 25.100 13.128 1.00 0.00 H -ATOM 4572 H2 TIP3A1524 31.614 25.030 14.638 1.00 0.00 H -ATOM 4573 O1 TIP3A1525 5.423 5.399 25.141 1.00 0.00 O -ATOM 4574 H1 TIP3A1525 4.687 4.787 25.121 1.00 0.00 H -ATOM 4575 H2 TIP3A1525 6.074 4.972 25.699 1.00 0.00 H -ATOM 4576 O1 TIP3A1526 8.835 53.725 52.812 1.00 0.00 O -ATOM 4577 H1 TIP3A1526 9.316 53.491 52.020 1.00 0.00 H -ATOM 4578 H2 TIP3A1526 8.865 52.936 53.354 1.00 0.00 H -ATOM 4579 O1 TIP3A1527 47.372 8.297 4.131 1.00 0.00 O -ATOM 4580 H1 TIP3A1527 46.673 7.681 3.911 1.00 0.00 H -ATOM 4581 H2 TIP3A1527 47.820 7.895 4.875 1.00 0.00 H -ATOM 4582 O1 TIP3A1528 13.955 19.947 18.332 1.00 0.00 O -ATOM 4583 H1 TIP3A1528 13.298 19.320 18.633 1.00 0.00 H -ATOM 4584 H2 TIP3A1528 13.764 20.068 17.402 1.00 0.00 H -ATOM 4585 O1 TIP3A1529 48.386 18.214 55.784 1.00 0.00 O -ATOM 4586 H1 TIP3A1529 48.720 17.321 55.855 1.00 0.00 H -ATOM 4587 H2 TIP3A1529 47.478 18.109 55.496 1.00 0.00 H -ATOM 4588 O1 TIP3A1530 38.822 25.831 48.841 1.00 0.00 O -ATOM 4589 H1 TIP3A1530 39.746 25.668 48.657 1.00 0.00 H -ATOM 4590 H2 TIP3A1530 38.351 25.283 48.212 1.00 0.00 H -ATOM 4591 O1 TIP3A1531 0.297 10.243 50.020 1.00 0.00 O -ATOM 4592 H1 TIP3A1531 -0.000 10.907 50.641 1.00 0.00 H -ATOM 4593 H2 TIP3A1531 1.015 10.662 49.545 1.00 0.00 H -ATOM 4594 O1 TIP3A1532 12.565 10.308 49.884 1.00 0.00 O -ATOM 4595 H1 TIP3A1532 12.969 10.424 50.743 1.00 0.00 H -ATOM 4596 H2 TIP3A1532 12.055 11.107 49.749 1.00 0.00 H -ATOM 4597 O1 TIP3A1533 0.960 32.616 52.763 1.00 0.00 O -ATOM 4598 H1 TIP3A1533 1.074 31.668 52.820 1.00 0.00 H -ATOM 4599 H2 TIP3A1533 0.376 32.743 52.015 1.00 0.00 H -ATOM 4600 O1 TIP3A1534 12.109 26.802 30.693 1.00 0.00 O -ATOM 4601 H1 TIP3A1534 11.337 26.800 31.257 1.00 0.00 H -ATOM 4602 H2 TIP3A1534 12.041 25.989 30.191 1.00 0.00 H -ATOM 4603 O1 TIP3A1535 2.454 3.864 0.662 1.00 0.00 O -ATOM 4604 H1 TIP3A1535 1.659 3.853 1.194 1.00 0.00 H -ATOM 4605 H2 TIP3A1535 2.525 2.973 0.318 1.00 0.00 H -ATOM 4606 O1 TIP3A1536 53.423 38.490 22.204 1.00 0.00 O -ATOM 4607 H1 TIP3A1536 52.680 39.010 22.510 1.00 0.00 H -ATOM 4608 H2 TIP3A1536 54.103 39.135 22.008 1.00 0.00 H -ATOM 4609 O1 TIP3A1537 28.958 44.764 47.818 1.00 0.00 O -ATOM 4610 H1 TIP3A1537 29.818 44.622 47.424 1.00 0.00 H -ATOM 4611 H2 TIP3A1537 28.936 45.700 48.018 1.00 0.00 H -ATOM 4612 O1 TIP3A1538 50.964 23.855 42.751 1.00 0.00 O -ATOM 4613 H1 TIP3A1538 50.621 24.748 42.725 1.00 0.00 H -ATOM 4614 H2 TIP3A1538 50.388 23.394 43.362 1.00 0.00 H -ATOM 4615 O1 TIP3A1539 3.044 6.369 2.124 1.00 0.00 O -ATOM 4616 H1 TIP3A1539 3.643 7.113 2.180 1.00 0.00 H -ATOM 4617 H2 TIP3A1539 2.679 6.288 3.006 1.00 0.00 H -ATOM 4618 O1 TIP3A1540 44.045 38.985 53.800 1.00 0.00 O -ATOM 4619 H1 TIP3A1540 43.601 38.152 53.953 1.00 0.00 H -ATOM 4620 H2 TIP3A1540 44.816 38.954 54.367 1.00 0.00 H -ATOM 4621 O1 TIP3A1541 28.191 55.138 7.800 1.00 0.00 O -ATOM 4622 H1 TIP3A1541 27.593 55.794 8.156 1.00 0.00 H -ATOM 4623 H2 TIP3A1541 27.743 54.801 7.023 1.00 0.00 H -ATOM 4624 O1 TIP3A1542 17.015 45.913 55.443 1.00 0.00 O -ATOM 4625 H1 TIP3A1542 16.632 46.504 54.795 1.00 0.00 H -ATOM 4626 H2 TIP3A1542 16.812 46.318 56.287 1.00 0.00 H -ATOM 4627 O1 TIP3A1543 11.513 35.852 46.071 1.00 0.00 O -ATOM 4628 H1 TIP3A1543 10.822 35.435 46.585 1.00 0.00 H -ATOM 4629 H2 TIP3A1543 12.148 36.153 46.723 1.00 0.00 H -ATOM 4630 O1 TIP3A1544 21.274 14.683 6.192 1.00 0.00 O -ATOM 4631 H1 TIP3A1544 21.557 13.824 5.882 1.00 0.00 H -ATOM 4632 H2 TIP3A1544 20.354 14.741 5.932 1.00 0.00 H -ATOM 4633 O1 TIP3A1545 21.343 9.993 37.062 1.00 0.00 O -ATOM 4634 H1 TIP3A1545 20.504 9.541 37.142 1.00 0.00 H -ATOM 4635 H2 TIP3A1545 21.987 9.289 36.974 1.00 0.00 H -ATOM 4636 O1 TIP3A1546 22.243 41.105 12.371 1.00 0.00 O -ATOM 4637 H1 TIP3A1546 23.175 41.318 12.395 1.00 0.00 H -ATOM 4638 H2 TIP3A1546 22.183 40.358 11.775 1.00 0.00 H -ATOM 4639 O1 TIP3A1547 32.834 1.089 12.601 1.00 0.00 O -ATOM 4640 H1 TIP3A1547 33.172 1.984 12.613 1.00 0.00 H -ATOM 4641 H2 TIP3A1547 32.182 1.069 13.302 1.00 0.00 H -ATOM 4642 O1 TIP3A1548 8.228 35.848 1.904 1.00 0.00 O -ATOM 4643 H1 TIP3A1548 7.301 36.060 2.003 1.00 0.00 H -ATOM 4644 H2 TIP3A1548 8.558 36.496 1.281 1.00 0.00 H -ATOM 4645 O1 TIP3A1549 16.137 53.444 41.165 1.00 0.00 O -ATOM 4646 H1 TIP3A1549 17.032 53.109 41.127 1.00 0.00 H -ATOM 4647 H2 TIP3A1549 15.615 52.788 40.702 1.00 0.00 H -ATOM 4648 O1 TIP3A1550 3.983 36.607 42.093 1.00 0.00 O -ATOM 4649 H1 TIP3A1550 4.446 37.304 42.557 1.00 0.00 H -ATOM 4650 H2 TIP3A1550 3.532 36.118 42.782 1.00 0.00 H -ATOM 4651 O1 TIP3A1551 5.739 12.235 44.394 1.00 0.00 O -ATOM 4652 H1 TIP3A1551 5.071 12.170 45.076 1.00 0.00 H -ATOM 4653 H2 TIP3A1551 5.255 12.131 43.574 1.00 0.00 H -ATOM 4654 O1 TIP3A1552 50.234 19.443 53.199 1.00 0.00 O -ATOM 4655 H1 TIP3A1552 51.065 18.982 53.313 1.00 0.00 H -ATOM 4656 H2 TIP3A1552 50.284 20.181 53.807 1.00 0.00 H -ATOM 4657 O1 TIP3A1553 13.690 8.419 20.923 1.00 0.00 O -ATOM 4658 H1 TIP3A1553 14.440 7.832 20.836 1.00 0.00 H -ATOM 4659 H2 TIP3A1553 12.929 7.866 20.741 1.00 0.00 H -ATOM 4660 O1 TIP3A1554 26.584 16.333 49.065 1.00 0.00 O -ATOM 4661 H1 TIP3A1554 25.698 16.352 48.704 1.00 0.00 H -ATOM 4662 H2 TIP3A1554 26.675 17.170 49.522 1.00 0.00 H -ATOM 4663 O1 TIP3A1555 11.890 27.979 43.215 1.00 0.00 O -ATOM 4664 H1 TIP3A1555 11.883 27.023 43.250 1.00 0.00 H -ATOM 4665 H2 TIP3A1555 10.984 28.219 43.022 1.00 0.00 H -ATOM 4666 O1 TIP3A1556 41.613 24.642 54.345 1.00 0.00 O -ATOM 4667 H1 TIP3A1556 42.205 23.896 54.256 1.00 0.00 H -ATOM 4668 H2 TIP3A1556 41.083 24.438 55.117 1.00 0.00 H -ATOM 4669 O1 TIP3A1557 13.944 52.226 28.637 1.00 0.00 O -ATOM 4670 H1 TIP3A1557 13.626 52.145 27.738 1.00 0.00 H -ATOM 4671 H2 TIP3A1557 13.278 52.752 29.081 1.00 0.00 H -ATOM 4672 O1 TIP3A1558 6.641 36.898 20.665 1.00 0.00 O -ATOM 4673 H1 TIP3A1558 6.423 35.967 20.676 1.00 0.00 H -ATOM 4674 H2 TIP3A1558 7.343 36.988 21.311 1.00 0.00 H -ATOM 4675 O1 TIP3A1559 18.019 24.619 22.992 1.00 0.00 O -ATOM 4676 H1 TIP3A1559 17.968 24.164 23.832 1.00 0.00 H -ATOM 4677 H2 TIP3A1559 17.485 25.405 23.111 1.00 0.00 H -ATOM 4678 O1 TIP3A1560 0.005 24.274 33.781 1.00 0.00 O -ATOM 4679 H1 TIP3A1560 0.114 24.613 32.893 1.00 0.00 H -ATOM 4680 H2 TIP3A1560 0.283 23.359 33.723 1.00 0.00 H -ATOM 4681 O1 TIP3A1561 31.234 22.980 20.968 1.00 0.00 O -ATOM 4682 H1 TIP3A1561 31.252 23.921 21.141 1.00 0.00 H -ATOM 4683 H2 TIP3A1561 30.777 22.606 21.722 1.00 0.00 H -ATOM 4684 O1 TIP3A1562 44.810 21.617 4.193 1.00 0.00 O -ATOM 4685 H1 TIP3A1562 44.113 20.996 4.403 1.00 0.00 H -ATOM 4686 H2 TIP3A1562 44.727 21.761 3.250 1.00 0.00 H -ATOM 4687 O1 TIP3A1563 36.054 18.062 45.968 1.00 0.00 O -ATOM 4688 H1 TIP3A1563 35.738 18.624 46.674 1.00 0.00 H -ATOM 4689 H2 TIP3A1563 37.001 18.203 45.954 1.00 0.00 H -ATOM 4690 O1 TIP3A1564 48.288 56.801 0.741 1.00 0.00 O -ATOM 4691 H1 TIP3A1564 48.216 56.077 1.362 1.00 0.00 H -ATOM 4692 H2 TIP3A1564 48.966 56.523 0.125 1.00 0.00 H -ATOM 4693 O1 TIP3A1565 16.674 12.891 38.868 1.00 0.00 O -ATOM 4694 H1 TIP3A1565 17.203 13.030 38.084 1.00 0.00 H -ATOM 4695 H2 TIP3A1565 16.787 13.693 39.379 1.00 0.00 H -ATOM 4696 O1 TIP3A1566 44.359 8.707 46.649 1.00 0.00 O -ATOM 4697 H1 TIP3A1566 43.450 8.991 46.747 1.00 0.00 H -ATOM 4698 H2 TIP3A1566 44.433 7.939 47.217 1.00 0.00 H -ATOM 4699 O1 TIP3A1567 45.974 22.142 15.771 1.00 0.00 O -ATOM 4700 H1 TIP3A1567 46.842 22.320 16.131 1.00 0.00 H -ATOM 4701 H2 TIP3A1567 45.500 21.717 16.486 1.00 0.00 H -ATOM 4702 O1 TIP3A1568 36.774 30.000 49.084 1.00 0.00 O -ATOM 4703 H1 TIP3A1568 37.504 29.432 48.841 1.00 0.00 H -ATOM 4704 H2 TIP3A1568 37.050 30.409 49.904 1.00 0.00 H -ATOM 4705 O1 TIP3A1569 3.046 41.398 39.725 1.00 0.00 O -ATOM 4706 H1 TIP3A1569 3.720 41.408 40.404 1.00 0.00 H -ATOM 4707 H2 TIP3A1569 3.499 41.688 38.932 1.00 0.00 H -ATOM 4708 O1 TIP3A1570 27.679 6.931 5.754 1.00 0.00 O -ATOM 4709 H1 TIP3A1570 26.764 6.980 6.027 1.00 0.00 H -ATOM 4710 H2 TIP3A1570 27.661 7.119 4.815 1.00 0.00 H -ATOM 4711 O1 TIP3A1571 20.426 27.243 15.708 1.00 0.00 O -ATOM 4712 H1 TIP3A1571 21.166 26.661 15.881 1.00 0.00 H -ATOM 4713 H2 TIP3A1571 20.801 28.123 15.737 1.00 0.00 H -ATOM 4714 O1 TIP3A1572 8.258 13.340 34.274 1.00 0.00 O -ATOM 4715 H1 TIP3A1572 8.542 12.486 34.598 1.00 0.00 H -ATOM 4716 H2 TIP3A1572 7.521 13.144 33.694 1.00 0.00 H -ATOM 4717 O1 TIP3A1573 36.227 55.143 28.423 1.00 0.00 O -ATOM 4718 H1 TIP3A1573 35.798 54.338 28.709 1.00 0.00 H -ATOM 4719 H2 TIP3A1573 35.742 55.843 28.862 1.00 0.00 H -ATOM 4720 O1 TIP3A1574 42.441 25.359 10.891 1.00 0.00 O -ATOM 4721 H1 TIP3A1574 41.884 25.591 10.149 1.00 0.00 H -ATOM 4722 H2 TIP3A1574 43.297 25.181 10.503 1.00 0.00 H -ATOM 4723 O1 TIP3A1575 55.427 27.819 32.941 1.00 0.00 O -ATOM 4724 H1 TIP3A1575 55.811 28.681 33.096 1.00 0.00 H -ATOM 4725 H2 TIP3A1575 55.920 27.230 33.513 1.00 0.00 H -ATOM 4726 O1 TIP3A1576 36.462 18.670 36.820 1.00 0.00 O -ATOM 4727 H1 TIP3A1576 37.094 18.165 37.331 1.00 0.00 H -ATOM 4728 H2 TIP3A1576 35.794 18.032 36.566 1.00 0.00 H -ATOM 4729 O1 TIP3A1577 51.419 26.985 54.533 1.00 0.00 O -ATOM 4730 H1 TIP3A1577 52.310 26.885 54.198 1.00 0.00 H -ATOM 4731 H2 TIP3A1577 51.533 27.328 55.419 1.00 0.00 H -ATOM 4732 O1 TIP3A1578 37.331 33.092 22.497 1.00 0.00 O -ATOM 4733 H1 TIP3A1578 37.566 33.944 22.129 1.00 0.00 H -ATOM 4734 H2 TIP3A1578 36.662 32.751 21.904 1.00 0.00 H -ATOM 4735 O1 TIP3A1579 39.683 22.625 25.259 1.00 0.00 O -ATOM 4736 H1 TIP3A1579 40.129 23.391 25.619 1.00 0.00 H -ATOM 4737 H2 TIP3A1579 38.769 22.897 25.175 1.00 0.00 H -ATOM 4738 O1 TIP3A1580 13.449 39.528 4.874 1.00 0.00 O -ATOM 4739 H1 TIP3A1580 13.277 39.415 5.809 1.00 0.00 H -ATOM 4740 H2 TIP3A1580 14.346 39.862 4.834 1.00 0.00 H -ATOM 4741 O1 TIP3A1581 5.056 22.948 56.590 1.00 0.00 O -ATOM 4742 H1 TIP3A1581 5.961 22.716 56.798 1.00 0.00 H -ATOM 4743 H2 TIP3A1581 4.983 23.871 56.835 1.00 0.00 H -ATOM 4744 O1 TIP3A1582 5.473 1.476 52.203 1.00 0.00 O -ATOM 4745 H1 TIP3A1582 5.175 2.383 52.261 1.00 0.00 H -ATOM 4746 H2 TIP3A1582 6.428 1.533 52.249 1.00 0.00 H -ATOM 4747 O1 TIP3A1583 15.637 43.014 46.343 1.00 0.00 O -ATOM 4748 H1 TIP3A1583 15.696 42.181 46.808 1.00 0.00 H -ATOM 4749 H2 TIP3A1583 14.937 43.491 46.790 1.00 0.00 H -ATOM 4750 O1 TIP3A1584 43.789 14.417 2.050 1.00 0.00 O -ATOM 4751 H1 TIP3A1584 44.497 14.367 1.409 1.00 0.00 H -ATOM 4752 H2 TIP3A1584 43.879 15.287 2.440 1.00 0.00 H -ATOM 4753 O1 TIP3A1585 9.011 55.565 45.814 1.00 0.00 O -ATOM 4754 H1 TIP3A1585 9.117 54.822 45.221 1.00 0.00 H -ATOM 4755 H2 TIP3A1585 8.231 55.352 46.328 1.00 0.00 H -ATOM 4756 O1 TIP3A1586 26.642 4.728 26.244 1.00 0.00 O -ATOM 4757 H1 TIP3A1586 26.071 4.238 26.835 1.00 0.00 H -ATOM 4758 H2 TIP3A1586 26.116 4.855 25.453 1.00 0.00 H -ATOM 4759 O1 TIP3A1587 57.271 27.955 38.140 1.00 0.00 O -ATOM 4760 H1 TIP3A1587 58.000 27.337 38.113 1.00 0.00 H -ATOM 4761 H2 TIP3A1587 57.523 28.595 38.807 1.00 0.00 H -ATOM 4762 O1 TIP3A1588 40.529 9.694 48.167 1.00 0.00 O -ATOM 4763 H1 TIP3A1588 39.631 9.749 48.492 1.00 0.00 H -ATOM 4764 H2 TIP3A1588 40.608 10.428 47.556 1.00 0.00 H -ATOM 4765 O1 TIP3A1589 23.727 53.537 11.288 1.00 0.00 O -ATOM 4766 H1 TIP3A1589 24.603 53.811 11.017 1.00 0.00 H -ATOM 4767 H2 TIP3A1589 23.687 53.749 12.221 1.00 0.00 H -ATOM 4768 O1 TIP3A1590 28.353 55.795 5.143 1.00 0.00 O -ATOM 4769 H1 TIP3A1590 28.086 55.098 4.544 1.00 0.00 H -ATOM 4770 H2 TIP3A1590 27.663 56.455 5.066 1.00 0.00 H -ATOM 4771 O1 TIP3A1591 27.296 3.868 42.042 1.00 0.00 O -ATOM 4772 H1 TIP3A1591 26.896 4.424 41.374 1.00 0.00 H -ATOM 4773 H2 TIP3A1591 28.236 4.039 41.966 1.00 0.00 H -ATOM 4774 O1 TIP3A1592 30.842 7.662 49.713 1.00 0.00 O -ATOM 4775 H1 TIP3A1592 30.458 6.787 49.683 1.00 0.00 H -ATOM 4776 H2 TIP3A1592 31.527 7.602 50.379 1.00 0.00 H -ATOM 4777 O1 TIP3A1593 48.734 32.668 28.618 1.00 0.00 O -ATOM 4778 H1 TIP3A1593 48.534 31.909 28.072 1.00 0.00 H -ATOM 4779 H2 TIP3A1593 47.923 33.178 28.627 1.00 0.00 H -ATOM 4780 O1 TIP3A1594 25.484 24.692 47.944 1.00 0.00 O -ATOM 4781 H1 TIP3A1594 24.574 24.408 48.030 1.00 0.00 H -ATOM 4782 H2 TIP3A1594 25.840 24.149 47.241 1.00 0.00 H -ATOM 4783 O1 TIP3A1595 53.962 40.219 26.268 1.00 0.00 O -ATOM 4784 H1 TIP3A1595 53.480 41.044 26.229 1.00 0.00 H -ATOM 4785 H2 TIP3A1595 53.327 39.584 26.600 1.00 0.00 H -ATOM 4786 O1 TIP3A1596 49.886 10.225 46.777 1.00 0.00 O -ATOM 4787 H1 TIP3A1596 49.370 9.432 46.638 1.00 0.00 H -ATOM 4788 H2 TIP3A1596 50.514 9.986 47.460 1.00 0.00 H -ATOM 4789 O1 TIP3A1597 27.487 5.759 39.713 1.00 0.00 O -ATOM 4790 H1 TIP3A1597 27.683 6.690 39.617 1.00 0.00 H -ATOM 4791 H2 TIP3A1597 27.804 5.362 38.902 1.00 0.00 H -ATOM 4792 O1 TIP3A1598 29.507 29.561 26.829 1.00 0.00 O -ATOM 4793 H1 TIP3A1598 28.812 29.913 27.383 1.00 0.00 H -ATOM 4794 H2 TIP3A1598 29.548 30.162 26.084 1.00 0.00 H -ATOM 4795 O1 TIP3A1599 44.910 28.008 23.456 1.00 0.00 O -ATOM 4796 H1 TIP3A1599 45.805 28.267 23.671 1.00 0.00 H -ATOM 4797 H2 TIP3A1599 44.898 27.058 23.577 1.00 0.00 H -ATOM 4798 O1 TIP3A1600 24.679 9.054 18.788 1.00 0.00 O -ATOM 4799 H1 TIP3A1600 24.023 9.748 18.841 1.00 0.00 H -ATOM 4800 H2 TIP3A1600 24.207 8.304 18.426 1.00 0.00 H -ATOM 4801 O1 TIP3A1601 23.568 48.195 2.886 1.00 0.00 O -ATOM 4802 H1 TIP3A1601 22.719 47.755 2.895 1.00 0.00 H -ATOM 4803 H2 TIP3A1601 23.481 48.870 2.212 1.00 0.00 H -ATOM 4804 O1 TIP3A1602 4.006 16.035 42.613 1.00 0.00 O -ATOM 4805 H1 TIP3A1602 3.431 16.590 43.139 1.00 0.00 H -ATOM 4806 H2 TIP3A1602 4.102 15.233 43.127 1.00 0.00 H -ATOM 4807 O1 TIP3A1603 29.509 16.941 24.764 1.00 0.00 O -ATOM 4808 H1 TIP3A1603 29.550 16.817 23.816 1.00 0.00 H -ATOM 4809 H2 TIP3A1603 29.399 16.057 25.117 1.00 0.00 H -ATOM 4810 O1 TIP3A1604 34.767 37.513 10.069 1.00 0.00 O -ATOM 4811 H1 TIP3A1604 34.920 38.317 10.564 1.00 0.00 H -ATOM 4812 H2 TIP3A1604 35.382 37.562 9.336 1.00 0.00 H -ATOM 4813 O1 TIP3A1605 43.001 4.227 15.026 1.00 0.00 O -ATOM 4814 H1 TIP3A1605 42.127 4.594 14.898 1.00 0.00 H -ATOM 4815 H2 TIP3A1605 42.974 3.380 14.578 1.00 0.00 H -ATOM 4816 O1 TIP3A1606 4.365 36.887 54.705 1.00 0.00 O -ATOM 4817 H1 TIP3A1606 3.534 36.437 54.554 1.00 0.00 H -ATOM 4818 H2 TIP3A1606 4.794 36.374 55.390 1.00 0.00 H -ATOM 4819 O1 TIP3A1607 15.406 13.183 53.234 1.00 0.00 O -ATOM 4820 H1 TIP3A1607 14.546 13.369 53.610 1.00 0.00 H -ATOM 4821 H2 TIP3A1607 15.388 12.244 53.046 1.00 0.00 H -ATOM 4822 O1 TIP3A1608 27.397 4.850 32.229 1.00 0.00 O -ATOM 4823 H1 TIP3A1608 28.232 5.311 32.156 1.00 0.00 H -ATOM 4824 H2 TIP3A1608 27.543 4.016 31.781 1.00 0.00 H -ATOM 4825 O1 TIP3A1609 13.878 53.498 19.080 1.00 0.00 O -ATOM 4826 H1 TIP3A1609 14.349 54.226 18.678 1.00 0.00 H -ATOM 4827 H2 TIP3A1609 14.020 53.609 20.020 1.00 0.00 H -ATOM 4828 O1 TIP3A1610 16.812 19.198 43.075 1.00 0.00 O -ATOM 4829 H1 TIP3A1610 16.242 19.608 43.725 1.00 0.00 H -ATOM 4830 H2 TIP3A1610 17.646 19.077 43.528 1.00 0.00 H -ATOM 4831 O1 TIP3A1611 53.950 50.466 21.804 1.00 0.00 O -ATOM 4832 H1 TIP3A1611 53.715 49.549 21.661 1.00 0.00 H -ATOM 4833 H2 TIP3A1611 53.359 50.760 22.498 1.00 0.00 H -ATOM 4834 O1 TIP3A1612 10.610 14.386 29.900 1.00 0.00 O -ATOM 4835 H1 TIP3A1612 9.856 14.403 29.311 1.00 0.00 H -ATOM 4836 H2 TIP3A1612 10.936 13.487 29.847 1.00 0.00 H -ATOM 4837 O1 TIP3A1613 5.376 48.779 43.138 1.00 0.00 O -ATOM 4838 H1 TIP3A1613 6.145 49.348 43.124 1.00 0.00 H -ATOM 4839 H2 TIP3A1613 5.572 48.095 42.497 1.00 0.00 H -ATOM 4840 O1 TIP3A1614 23.814 26.338 48.967 1.00 0.00 O -ATOM 4841 H1 TIP3A1614 24.760 26.450 49.053 1.00 0.00 H -ATOM 4842 H2 TIP3A1614 23.440 27.076 49.448 1.00 0.00 H -ATOM 4843 O1 TIP3A1615 50.387 20.297 22.418 1.00 0.00 O -ATOM 4844 H1 TIP3A1615 50.554 21.239 22.429 1.00 0.00 H -ATOM 4845 H2 TIP3A1615 49.702 20.167 23.074 1.00 0.00 H -ATOM 4846 O1 TIP3A1616 36.651 40.762 56.911 1.00 0.00 O -ATOM 4847 H1 TIP3A1616 36.649 41.138 57.791 1.00 0.00 H -ATOM 4848 H2 TIP3A1616 36.892 41.492 56.339 1.00 0.00 H -ATOM 4849 O1 TIP3A1617 54.503 47.418 40.663 1.00 0.00 O -ATOM 4850 H1 TIP3A1617 53.935 48.186 40.704 1.00 0.00 H -ATOM 4851 H2 TIP3A1617 54.545 47.102 41.566 1.00 0.00 H -ATOM 4852 O1 TIP3A1618 22.760 37.410 26.041 1.00 0.00 O -ATOM 4853 H1 TIP3A1618 22.212 37.286 25.267 1.00 0.00 H -ATOM 4854 H2 TIP3A1618 22.146 37.659 26.732 1.00 0.00 H -ATOM 4855 O1 TIP3A1619 40.232 54.913 44.837 1.00 0.00 O -ATOM 4856 H1 TIP3A1619 40.542 54.304 44.169 1.00 0.00 H -ATOM 4857 H2 TIP3A1619 39.326 55.101 44.589 1.00 0.00 H -ATOM 4858 O1 TIP3A1620 34.769 13.945 28.044 1.00 0.00 O -ATOM 4859 H1 TIP3A1620 34.619 13.173 27.500 1.00 0.00 H -ATOM 4860 H2 TIP3A1620 34.800 14.674 27.423 1.00 0.00 H -ATOM 4861 O1 TIP3A1621 10.802 4.548 34.357 1.00 0.00 O -ATOM 4862 H1 TIP3A1621 10.592 5.471 34.497 1.00 0.00 H -ATOM 4863 H2 TIP3A1621 9.969 4.147 34.110 1.00 0.00 H -ATOM 4864 O1 TIP3A1622 0.885 47.278 43.178 1.00 0.00 O -ATOM 4865 H1 TIP3A1622 0.401 47.370 43.998 1.00 0.00 H -ATOM 4866 H2 TIP3A1622 1.477 46.542 43.329 1.00 0.00 H -ATOM 4867 O1 TIP3A1623 28.669 18.746 2.866 1.00 0.00 O -ATOM 4868 H1 TIP3A1623 28.201 17.936 3.069 1.00 0.00 H -ATOM 4869 H2 TIP3A1623 28.889 18.668 1.937 1.00 0.00 H -ATOM 4870 O1 TIP3A1624 3.835 13.706 51.585 1.00 0.00 O -ATOM 4871 H1 TIP3A1624 4.110 13.791 50.673 1.00 0.00 H -ATOM 4872 H2 TIP3A1624 4.632 13.455 52.053 1.00 0.00 H -ATOM 4873 O1 TIP3A1625 13.794 19.813 53.110 1.00 0.00 O -ATOM 4874 H1 TIP3A1625 14.078 20.542 52.559 1.00 0.00 H -ATOM 4875 H2 TIP3A1625 13.982 20.101 54.004 1.00 0.00 H -ATOM 4876 O1 TIP3A1626 31.802 25.633 24.746 1.00 0.00 O -ATOM 4877 H1 TIP3A1626 31.145 25.412 24.086 1.00 0.00 H -ATOM 4878 H2 TIP3A1626 31.295 25.970 25.486 1.00 0.00 H -ATOM 4879 O1 TIP3A1627 29.105 51.072 14.507 1.00 0.00 O -ATOM 4880 H1 TIP3A1627 29.887 50.540 14.648 1.00 0.00 H -ATOM 4881 H2 TIP3A1627 28.594 50.581 13.863 1.00 0.00 H -ATOM 4882 O1 TIP3A1628 17.864 13.992 54.090 1.00 0.00 O -ATOM 4883 H1 TIP3A1628 17.692 13.051 54.080 1.00 0.00 H -ATOM 4884 H2 TIP3A1628 17.262 14.353 53.439 1.00 0.00 H -ATOM 4885 O1 TIP3A1629 16.353 50.793 25.876 1.00 0.00 O -ATOM 4886 H1 TIP3A1629 16.913 50.018 25.891 1.00 0.00 H -ATOM 4887 H2 TIP3A1629 16.347 51.103 26.782 1.00 0.00 H -ATOM 4888 O1 TIP3A1630 55.623 17.908 30.343 1.00 0.00 O -ATOM 4889 H1 TIP3A1630 54.689 18.028 30.178 1.00 0.00 H -ATOM 4890 H2 TIP3A1630 55.659 17.343 31.116 1.00 0.00 H -ATOM 4891 O1 TIP3A1631 3.089 23.666 0.627 1.00 0.00 O -ATOM 4892 H1 TIP3A1631 2.430 24.316 0.386 1.00 0.00 H -ATOM 4893 H2 TIP3A1631 3.782 23.772 -0.026 1.00 0.00 H -ATOM 4894 O1 TIP3A1632 33.245 36.857 55.355 1.00 0.00 O -ATOM 4895 H1 TIP3A1632 33.087 37.256 56.210 1.00 0.00 H -ATOM 4896 H2 TIP3A1632 33.681 37.542 54.847 1.00 0.00 H -ATOM 4897 O1 TIP3A1633 56.556 30.788 16.912 1.00 0.00 O -ATOM 4898 H1 TIP3A1633 55.612 30.793 16.761 1.00 0.00 H -ATOM 4899 H2 TIP3A1633 56.900 31.444 16.306 1.00 0.00 H -ATOM 4900 O1 TIP3A1634 16.776 33.875 41.164 1.00 0.00 O -ATOM 4901 H1 TIP3A1634 17.240 33.614 41.960 1.00 0.00 H -ATOM 4902 H2 TIP3A1634 16.452 34.756 41.353 1.00 0.00 H -ATOM 4903 O1 TIP3A1635 42.711 15.140 26.809 1.00 0.00 O -ATOM 4904 H1 TIP3A1635 43.446 14.529 26.850 1.00 0.00 H -ATOM 4905 H2 TIP3A1635 42.553 15.264 25.872 1.00 0.00 H -ATOM 4906 O1 TIP3A1636 44.197 35.334 13.537 1.00 0.00 O -ATOM 4907 H1 TIP3A1636 44.650 36.168 13.421 1.00 0.00 H -ATOM 4908 H2 TIP3A1636 43.951 35.320 14.463 1.00 0.00 H -ATOM 4909 O1 TIP3A1637 37.796 3.688 48.314 1.00 0.00 O -ATOM 4910 H1 TIP3A1637 38.215 3.001 47.797 1.00 0.00 H -ATOM 4911 H2 TIP3A1637 36.923 3.346 48.508 1.00 0.00 H -ATOM 4912 O1 TIP3A1638 7.190 43.973 10.242 1.00 0.00 O -ATOM 4913 H1 TIP3A1638 7.357 44.821 9.832 1.00 0.00 H -ATOM 4914 H2 TIP3A1638 7.856 43.902 10.927 1.00 0.00 H -ATOM 4915 O1 TIP3A1639 13.998 56.972 39.099 1.00 0.00 O -ATOM 4916 H1 TIP3A1639 14.516 56.742 39.870 1.00 0.00 H -ATOM 4917 H2 TIP3A1639 14.078 57.924 39.032 1.00 0.00 H -ATOM 4918 O1 TIP3A1640 43.623 50.552 15.344 1.00 0.00 O -ATOM 4919 H1 TIP3A1640 43.379 49.636 15.219 1.00 0.00 H -ATOM 4920 H2 TIP3A1640 42.990 51.043 14.818 1.00 0.00 H -ATOM 4921 O1 TIP3A1641 37.898 13.119 42.113 1.00 0.00 O -ATOM 4922 H1 TIP3A1641 38.006 13.961 42.554 1.00 0.00 H -ATOM 4923 H2 TIP3A1641 37.153 12.711 42.555 1.00 0.00 H -ATOM 4924 O1 TIP3A1642 27.651 23.281 10.419 1.00 0.00 O -ATOM 4925 H1 TIP3A1642 26.867 22.745 10.309 1.00 0.00 H -ATOM 4926 H2 TIP3A1642 27.436 24.110 9.990 1.00 0.00 H -ATOM 4927 O1 TIP3A1643 53.357 51.153 53.005 1.00 0.00 O -ATOM 4928 H1 TIP3A1643 53.837 51.975 52.911 1.00 0.00 H -ATOM 4929 H2 TIP3A1643 52.478 51.350 52.680 1.00 0.00 H -ATOM 4930 O1 TIP3A1644 46.459 50.537 37.090 1.00 0.00 O -ATOM 4931 H1 TIP3A1644 45.573 50.177 37.090 1.00 0.00 H -ATOM 4932 H2 TIP3A1644 46.929 50.021 37.746 1.00 0.00 H -ATOM 4933 O1 TIP3A1645 48.739 57.490 14.296 1.00 0.00 O -ATOM 4934 H1 TIP3A1645 48.686 57.916 15.151 1.00 0.00 H -ATOM 4935 H2 TIP3A1645 48.283 56.656 14.415 1.00 0.00 H -ATOM 4936 O1 TIP3A1646 24.761 55.680 26.932 1.00 0.00 O -ATOM 4937 H1 TIP3A1646 25.692 55.805 26.750 1.00 0.00 H -ATOM 4938 H2 TIP3A1646 24.546 56.368 27.564 1.00 0.00 H -ATOM 4939 O1 TIP3A1647 13.556 34.296 31.176 1.00 0.00 O -ATOM 4940 H1 TIP3A1647 14.401 34.729 31.296 1.00 0.00 H -ATOM 4941 H2 TIP3A1647 13.408 33.828 31.998 1.00 0.00 H -ATOM 4942 O1 TIP3A1648 1.772 31.598 48.357 1.00 0.00 O -ATOM 4943 H1 TIP3A1648 1.067 32.061 47.905 1.00 0.00 H -ATOM 4944 H2 TIP3A1648 1.573 30.670 48.224 1.00 0.00 H -ATOM 4945 O1 TIP3A1649 51.679 31.483 44.376 1.00 0.00 O -ATOM 4946 H1 TIP3A1649 51.992 31.591 45.274 1.00 0.00 H -ATOM 4947 H2 TIP3A1649 52.474 31.499 43.842 1.00 0.00 H -ATOM 4948 O1 TIP3A1650 17.089 50.473 41.743 1.00 0.00 O -ATOM 4949 H1 TIP3A1650 17.941 50.323 41.334 1.00 0.00 H -ATOM 4950 H2 TIP3A1650 16.465 50.445 41.017 1.00 0.00 H -ATOM 4951 O1 TIP3A1651 18.686 19.826 37.051 1.00 0.00 O -ATOM 4952 H1 TIP3A1651 18.266 19.943 36.200 1.00 0.00 H -ATOM 4953 H2 TIP3A1651 17.962 19.825 37.678 1.00 0.00 H -ATOM 4954 O1 TIP3A1652 2.153 17.220 31.491 1.00 0.00 O -ATOM 4955 H1 TIP3A1652 1.743 18.055 31.270 1.00 0.00 H -ATOM 4956 H2 TIP3A1652 1.708 16.939 32.291 1.00 0.00 H -ATOM 4957 O1 TIP3A1653 49.244 52.855 54.372 1.00 0.00 O -ATOM 4958 H1 TIP3A1653 49.114 52.167 53.721 1.00 0.00 H -ATOM 4959 H2 TIP3A1653 48.377 52.988 54.757 1.00 0.00 H -ATOM 4960 O1 TIP3A1654 4.127 46.593 34.539 1.00 0.00 O -ATOM 4961 H1 TIP3A1654 3.492 46.209 35.143 1.00 0.00 H -ATOM 4962 H2 TIP3A1654 4.901 46.035 34.618 1.00 0.00 H -ATOM 4963 O1 TIP3A1655 41.854 55.015 13.800 1.00 0.00 O -ATOM 4964 H1 TIP3A1655 41.098 55.572 13.617 1.00 0.00 H -ATOM 4965 H2 TIP3A1655 42.602 55.503 13.454 1.00 0.00 H -ATOM 4966 O1 TIP3A1656 49.156 14.994 32.393 1.00 0.00 O -ATOM 4967 H1 TIP3A1656 49.287 15.941 32.386 1.00 0.00 H -ATOM 4968 H2 TIP3A1656 49.738 14.666 31.706 1.00 0.00 H -ATOM 4969 O1 TIP3A1657 39.064 19.867 40.044 1.00 0.00 O -ATOM 4970 H1 TIP3A1657 38.613 19.217 39.507 1.00 0.00 H -ATOM 4971 H2 TIP3A1657 38.491 19.993 40.801 1.00 0.00 H -ATOM 4972 O1 TIP3A1658 20.904 49.904 14.327 1.00 0.00 O -ATOM 4973 H1 TIP3A1658 20.222 50.496 14.011 1.00 0.00 H -ATOM 4974 H2 TIP3A1658 21.691 50.167 13.849 1.00 0.00 H -ATOM 4975 O1 TIP3A1659 19.605 12.383 44.378 1.00 0.00 O -ATOM 4976 H1 TIP3A1659 19.413 13.243 44.749 1.00 0.00 H -ATOM 4977 H2 TIP3A1659 18.795 11.885 44.496 1.00 0.00 H -ATOM 4978 O1 TIP3A1660 7.442 9.979 26.096 1.00 0.00 O -ATOM 4979 H1 TIP3A1660 7.141 10.283 26.951 1.00 0.00 H -ATOM 4980 H2 TIP3A1660 7.439 10.765 25.547 1.00 0.00 H -ATOM 4981 O1 TIP3A1661 26.719 2.670 47.290 1.00 0.00 O -ATOM 4982 H1 TIP3A1661 27.260 1.887 47.390 1.00 0.00 H -ATOM 4983 H2 TIP3A1661 26.072 2.431 46.625 1.00 0.00 H -ATOM 4984 O1 TIP3A1662 49.637 39.248 35.737 1.00 0.00 O -ATOM 4985 H1 TIP3A1662 50.016 39.349 36.609 1.00 0.00 H -ATOM 4986 H2 TIP3A1662 49.251 38.372 35.743 1.00 0.00 H -ATOM 4987 O1 TIP3A1663 28.807 2.920 51.272 1.00 0.00 O -ATOM 4988 H1 TIP3A1663 29.182 3.762 51.528 1.00 0.00 H -ATOM 4989 H2 TIP3A1663 28.118 2.758 51.918 1.00 0.00 H -ATOM 4990 O1 TIP3A1664 23.216 9.348 54.276 1.00 0.00 O -ATOM 4991 H1 TIP3A1664 23.247 10.289 54.441 1.00 0.00 H -ATOM 4992 H2 TIP3A1664 24.131 9.097 54.143 1.00 0.00 H -ATOM 4993 O1 TIP3A1665 40.426 0.456 18.372 1.00 0.00 O -ATOM 4994 H1 TIP3A1665 41.267 0.000 18.386 1.00 0.00 H -ATOM 4995 H2 TIP3A1665 40.081 0.296 17.494 1.00 0.00 H -ATOM 4996 O1 TIP3A1666 52.527 29.208 42.278 1.00 0.00 O -ATOM 4997 H1 TIP3A1666 53.036 30.017 42.313 1.00 0.00 H -ATOM 4998 H2 TIP3A1666 51.818 29.343 42.908 1.00 0.00 H -ATOM 4999 O1 TIP3A1667 18.166 30.930 42.613 1.00 0.00 O -ATOM 5000 H1 TIP3A1667 17.604 31.635 42.934 1.00 0.00 H -ATOM 5001 H2 TIP3A1667 18.940 31.377 42.270 1.00 0.00 H -ATOM 5002 O1 TIP3A1668 8.491 14.778 12.823 1.00 0.00 O -ATOM 5003 H1 TIP3A1668 8.342 15.054 13.727 1.00 0.00 H -ATOM 5004 H2 TIP3A1668 8.395 15.579 12.308 1.00 0.00 H -ATOM 5005 O1 TIP3A1669 0.645 13.684 4.032 1.00 0.00 O -ATOM 5006 H1 TIP3A1669 0.581 13.303 4.907 1.00 0.00 H -ATOM 5007 H2 TIP3A1669 -0.000 14.392 4.030 1.00 0.00 H -ATOM 5008 O1 TIP3A1670 22.780 53.993 26.482 1.00 0.00 O -ATOM 5009 H1 TIP3A1670 23.503 53.750 27.059 1.00 0.00 H -ATOM 5010 H2 TIP3A1670 22.477 54.837 26.818 1.00 0.00 H -ATOM 5011 O1 TIP3A1671 40.631 45.842 51.802 1.00 0.00 O -ATOM 5012 H1 TIP3A1671 41.089 45.599 52.605 1.00 0.00 H -ATOM 5013 H2 TIP3A1671 39.816 46.246 52.102 1.00 0.00 H -ATOM 5014 O1 TIP3A1672 9.220 13.395 45.792 1.00 0.00 O -ATOM 5015 H1 TIP3A1672 8.412 13.708 45.387 1.00 0.00 H -ATOM 5016 H2 TIP3A1672 9.615 14.179 46.175 1.00 0.00 H -ATOM 5017 O1 TIP3A1673 19.261 22.118 21.030 1.00 0.00 O -ATOM 5018 H1 TIP3A1673 18.816 22.928 21.279 1.00 0.00 H -ATOM 5019 H2 TIP3A1673 19.347 21.630 21.849 1.00 0.00 H -ATOM 5020 O1 TIP3A1674 38.135 12.172 21.628 1.00 0.00 O -ATOM 5021 H1 TIP3A1674 37.855 12.894 22.189 1.00 0.00 H -ATOM 5022 H2 TIP3A1674 37.838 11.384 22.084 1.00 0.00 H -ATOM 5023 O1 TIP3A1675 31.230 42.208 9.681 1.00 0.00 O -ATOM 5024 H1 TIP3A1675 32.178 42.216 9.810 1.00 0.00 H -ATOM 5025 H2 TIP3A1675 31.042 41.336 9.334 1.00 0.00 H -ATOM 5026 O1 TIP3A1676 55.951 20.759 17.572 1.00 0.00 O -ATOM 5027 H1 TIP3A1676 55.074 21.054 17.814 1.00 0.00 H -ATOM 5028 H2 TIP3A1676 56.412 20.669 18.407 1.00 0.00 H -ATOM 5029 O1 TIP3A1677 53.888 6.295 41.808 1.00 0.00 O -ATOM 5030 H1 TIP3A1677 54.594 6.939 41.858 1.00 0.00 H -ATOM 5031 H2 TIP3A1677 53.262 6.572 42.478 1.00 0.00 H -ATOM 5032 O1 TIP3A1678 3.754 43.061 10.496 1.00 0.00 O -ATOM 5033 H1 TIP3A1678 4.119 43.946 10.478 1.00 0.00 H -ATOM 5034 H2 TIP3A1678 4.274 42.575 9.856 1.00 0.00 H -ATOM 5035 O1 TIP3A1679 19.885 55.649 52.950 1.00 0.00 O -ATOM 5036 H1 TIP3A1679 19.037 56.092 52.966 1.00 0.00 H -ATOM 5037 H2 TIP3A1679 19.823 54.987 53.638 1.00 0.00 H -ATOM 5038 O1 TIP3A1680 26.349 56.537 52.117 1.00 0.00 O -ATOM 5039 H1 TIP3A1680 25.647 57.187 52.147 1.00 0.00 H -ATOM 5040 H2 TIP3A1680 26.079 55.864 52.743 1.00 0.00 H -ATOM 5041 O1 TIP3A1681 27.392 37.715 2.927 1.00 0.00 O -ATOM 5042 H1 TIP3A1681 27.587 37.430 2.035 1.00 0.00 H -ATOM 5043 H2 TIP3A1681 26.436 37.744 2.967 1.00 0.00 H -ATOM 5044 O1 TIP3A1682 51.347 13.389 20.593 1.00 0.00 O -ATOM 5045 H1 TIP3A1682 52.068 13.818 21.052 1.00 0.00 H -ATOM 5046 H2 TIP3A1682 51.687 12.523 20.366 1.00 0.00 H -ATOM 5047 O1 TIP3A1683 10.967 31.525 7.766 1.00 0.00 O -ATOM 5048 H1 TIP3A1683 11.343 32.398 7.875 1.00 0.00 H -ATOM 5049 H2 TIP3A1683 10.153 31.549 8.271 1.00 0.00 H -ATOM 5050 O1 TIP3A1684 0.956 17.568 36.809 1.00 0.00 O -ATOM 5051 H1 TIP3A1684 0.579 18.446 36.861 1.00 0.00 H -ATOM 5052 H2 TIP3A1684 1.753 17.679 36.289 1.00 0.00 H -ATOM 5053 O1 TIP3A1685 11.772 29.541 35.008 1.00 0.00 O -ATOM 5054 H1 TIP3A1685 10.849 29.385 35.206 1.00 0.00 H -ATOM 5055 H2 TIP3A1685 12.238 28.840 35.466 1.00 0.00 H -ATOM 5056 O1 TIP3A1686 53.805 7.345 17.177 1.00 0.00 O -ATOM 5057 H1 TIP3A1686 53.202 7.886 16.667 1.00 0.00 H -ATOM 5058 H2 TIP3A1686 54.676 7.626 16.896 1.00 0.00 H -ATOM 5059 O1 TIP3A1687 23.347 50.006 15.339 1.00 0.00 O -ATOM 5060 H1 TIP3A1687 22.634 50.206 15.946 1.00 0.00 H -ATOM 5061 H2 TIP3A1687 24.047 50.612 15.585 1.00 0.00 H -ATOM 5062 O1 TIP3A1688 26.628 7.558 52.991 1.00 0.00 O -ATOM 5063 H1 TIP3A1688 27.015 6.685 53.033 1.00 0.00 H -ATOM 5064 H2 TIP3A1688 27.131 8.074 53.622 1.00 0.00 H -ATOM 5065 O1 TIP3A1689 51.472 32.479 18.762 1.00 0.00 O -ATOM 5066 H1 TIP3A1689 51.874 33.232 18.331 1.00 0.00 H -ATOM 5067 H2 TIP3A1689 50.957 32.857 19.475 1.00 0.00 H -ATOM 5068 O1 TIP3A1690 40.487 55.305 57.080 1.00 0.00 O -ATOM 5069 H1 TIP3A1690 40.300 54.483 56.630 1.00 0.00 H -ATOM 5070 H2 TIP3A1690 40.525 55.069 58.007 1.00 0.00 H -ATOM 5071 O1 TIP3A1691 2.845 33.443 9.612 1.00 0.00 O -ATOM 5072 H1 TIP3A1691 2.203 33.010 10.173 1.00 0.00 H -ATOM 5073 H2 TIP3A1691 2.475 34.310 9.448 1.00 0.00 H -ATOM 5074 O1 TIP3A1692 3.246 47.624 30.206 1.00 0.00 O -ATOM 5075 H1 TIP3A1692 3.789 47.450 29.438 1.00 0.00 H -ATOM 5076 H2 TIP3A1692 3.003 46.757 30.530 1.00 0.00 H -ATOM 5077 O1 TIP3A1693 12.132 29.844 39.455 1.00 0.00 O -ATOM 5078 H1 TIP3A1693 11.243 29.858 39.102 1.00 0.00 H -ATOM 5079 H2 TIP3A1693 12.178 30.615 40.021 1.00 0.00 H -ATOM 5080 O1 TIP3A1694 26.602 32.362 46.369 1.00 0.00 O -ATOM 5081 H1 TIP3A1694 26.164 32.566 45.543 1.00 0.00 H -ATOM 5082 H2 TIP3A1694 27.516 32.608 46.223 1.00 0.00 H -ATOM 5083 O1 TIP3A1695 38.107 34.230 30.698 1.00 0.00 O -ATOM 5084 H1 TIP3A1695 38.133 34.742 29.890 1.00 0.00 H -ATOM 5085 H2 TIP3A1695 38.927 34.444 31.144 1.00 0.00 H -ATOM 5086 O1 TIP3A1696 41.328 3.426 1.859 1.00 0.00 O -ATOM 5087 H1 TIP3A1696 42.264 3.617 1.909 1.00 0.00 H -ATOM 5088 H2 TIP3A1696 41.244 2.827 1.116 1.00 0.00 H -ATOM 5089 O1 TIP3A1697 20.924 20.152 54.046 1.00 0.00 O -ATOM 5090 H1 TIP3A1697 21.531 19.546 53.623 1.00 0.00 H -ATOM 5091 H2 TIP3A1697 20.056 19.850 53.777 1.00 0.00 H -ATOM 5092 O1 TIP3A1698 21.793 52.625 13.555 1.00 0.00 O -ATOM 5093 H1 TIP3A1698 21.170 52.820 14.254 1.00 0.00 H -ATOM 5094 H2 TIP3A1698 21.516 53.179 12.824 1.00 0.00 H -ATOM 5095 O1 TIP3A1699 38.759 4.993 24.999 1.00 0.00 O -ATOM 5096 H1 TIP3A1699 39.431 5.596 24.683 1.00 0.00 H -ATOM 5097 H2 TIP3A1699 38.277 5.495 25.658 1.00 0.00 H -ATOM 5098 O1 TIP3A1700 31.376 56.334 8.161 1.00 0.00 O -ATOM 5099 H1 TIP3A1700 30.741 56.652 7.520 1.00 0.00 H -ATOM 5100 H2 TIP3A1700 30.973 56.519 9.010 1.00 0.00 H -ATOM 5101 O1 TIP3A1701 11.327 17.500 31.795 1.00 0.00 O -ATOM 5102 H1 TIP3A1701 12.170 17.912 31.608 1.00 0.00 H -ATOM 5103 H2 TIP3A1701 11.398 16.624 31.415 1.00 0.00 H -ATOM 5104 O1 TIP3A1702 44.517 42.341 28.745 1.00 0.00 O -ATOM 5105 H1 TIP3A1702 44.454 42.893 27.967 1.00 0.00 H -ATOM 5106 H2 TIP3A1702 45.407 41.987 28.718 1.00 0.00 H -ATOM 5107 O1 TIP3A1703 41.955 25.553 5.627 1.00 0.00 O -ATOM 5108 H1 TIP3A1703 42.343 24.688 5.505 1.00 0.00 H -ATOM 5109 H2 TIP3A1703 42.583 26.157 5.230 1.00 0.00 H -ATOM 5110 O1 TIP3A1704 24.946 24.078 20.281 1.00 0.00 O -ATOM 5111 H1 TIP3A1704 25.623 24.741 20.151 1.00 0.00 H -ATOM 5112 H2 TIP3A1704 25.426 23.250 20.322 1.00 0.00 H -ATOM 5113 O1 TIP3A1705 49.415 36.967 28.583 1.00 0.00 O -ATOM 5114 H1 TIP3A1705 48.854 36.215 28.769 1.00 0.00 H -ATOM 5115 H2 TIP3A1705 49.001 37.396 27.833 1.00 0.00 H -ATOM 5116 O1 TIP3A1706 14.219 30.232 7.598 1.00 0.00 O -ATOM 5117 H1 TIP3A1706 15.155 30.084 7.467 1.00 0.00 H -ATOM 5118 H2 TIP3A1706 13.817 29.977 6.766 1.00 0.00 H -ATOM 5119 O1 TIP3A1707 40.332 43.029 29.129 1.00 0.00 O -ATOM 5120 H1 TIP3A1707 39.750 42.471 28.613 1.00 0.00 H -ATOM 5121 H2 TIP3A1707 39.774 43.378 29.825 1.00 0.00 H -ATOM 5122 O1 TIP3A1708 28.373 22.206 18.318 1.00 0.00 O -ATOM 5123 H1 TIP3A1708 27.812 22.981 18.312 1.00 0.00 H -ATOM 5124 H2 TIP3A1708 29.047 22.393 17.664 1.00 0.00 H -ATOM 5125 O1 TIP3A1709 27.191 30.128 8.799 1.00 0.00 O -ATOM 5126 H1 TIP3A1709 26.932 31.044 8.714 1.00 0.00 H -ATOM 5127 H2 TIP3A1709 27.332 30.004 9.738 1.00 0.00 H -ATOM 5128 O1 TIP3A1710 57.013 58.000 46.932 1.00 0.00 O -ATOM 5129 H1 TIP3A1710 56.233 57.448 46.976 1.00 0.00 H -ATOM 5130 H2 TIP3A1710 57.745 57.385 46.981 1.00 0.00 H -ATOM 5131 O1 TIP3A1711 20.355 53.899 33.092 1.00 0.00 O -ATOM 5132 H1 TIP3A1711 21.214 54.300 33.221 1.00 0.00 H -ATOM 5133 H2 TIP3A1711 20.200 53.401 33.896 1.00 0.00 H -ATOM 5134 O1 TIP3A1712 40.566 48.571 34.572 1.00 0.00 O -ATOM 5135 H1 TIP3A1712 40.394 47.648 34.386 1.00 0.00 H -ATOM 5136 H2 TIP3A1712 39.713 48.930 34.816 1.00 0.00 H -ATOM 5137 O1 TIP3A1713 28.386 39.950 1.259 1.00 0.00 O -ATOM 5138 H1 TIP3A1713 28.851 39.147 1.490 1.00 0.00 H -ATOM 5139 H2 TIP3A1713 27.557 39.649 0.887 1.00 0.00 H -ATOM 5140 O1 TIP3A1714 4.579 48.213 9.801 1.00 0.00 O -ATOM 5141 H1 TIP3A1714 5.121 47.433 9.687 1.00 0.00 H -ATOM 5142 H2 TIP3A1714 3.726 47.968 9.440 1.00 0.00 H -ATOM 5143 O1 TIP3A1715 4.154 54.111 5.544 1.00 0.00 O -ATOM 5144 H1 TIP3A1715 3.701 54.951 5.610 1.00 0.00 H -ATOM 5145 H2 TIP3A1715 3.840 53.608 6.296 1.00 0.00 H -ATOM 5146 O1 TIP3A1716 49.997 38.707 32.571 1.00 0.00 O -ATOM 5147 H1 TIP3A1716 49.913 39.657 32.651 1.00 0.00 H -ATOM 5148 H2 TIP3A1716 49.588 38.362 33.365 1.00 0.00 H -ATOM 5149 O1 TIP3A1717 52.277 55.517 32.247 1.00 0.00 O -ATOM 5150 H1 TIP3A1717 52.744 56.334 32.073 1.00 0.00 H -ATOM 5151 H2 TIP3A1717 52.428 55.348 33.178 1.00 0.00 H -ATOM 5152 O1 TIP3A1718 27.244 26.127 45.451 1.00 0.00 O -ATOM 5153 H1 TIP3A1718 26.419 26.551 45.685 1.00 0.00 H -ATOM 5154 H2 TIP3A1718 27.245 25.311 45.952 1.00 0.00 H -ATOM 5155 O1 TIP3A1719 6.708 23.965 34.802 1.00 0.00 O -ATOM 5156 H1 TIP3A1719 5.896 23.463 34.737 1.00 0.00 H -ATOM 5157 H2 TIP3A1719 7.075 23.719 35.652 1.00 0.00 H -ATOM 5158 O1 TIP3A1720 36.772 19.868 7.553 1.00 0.00 O -ATOM 5159 H1 TIP3A1720 36.254 20.467 7.017 1.00 0.00 H -ATOM 5160 H2 TIP3A1720 36.123 19.367 8.050 1.00 0.00 H -ATOM 5161 O1 TIP3A1721 16.089 45.451 8.797 1.00 0.00 O -ATOM 5162 H1 TIP3A1721 15.980 44.527 8.575 1.00 0.00 H -ATOM 5163 H2 TIP3A1721 17.013 45.534 9.032 1.00 0.00 H -ATOM 5164 O1 TIP3A1722 44.092 54.335 2.053 1.00 0.00 O -ATOM 5165 H1 TIP3A1722 43.442 54.339 2.756 1.00 0.00 H -ATOM 5166 H2 TIP3A1722 44.882 53.978 2.459 1.00 0.00 H -ATOM 5167 O1 TIP3A1723 54.484 19.990 5.243 1.00 0.00 O -ATOM 5168 H1 TIP3A1723 55.396 20.061 5.521 1.00 0.00 H -ATOM 5169 H2 TIP3A1723 54.509 19.410 4.482 1.00 0.00 H -ATOM 5170 O1 TIP3A1724 1.500 42.552 32.606 1.00 0.00 O -ATOM 5171 H1 TIP3A1724 0.546 42.521 32.539 1.00 0.00 H -ATOM 5172 H2 TIP3A1724 1.747 43.358 32.152 1.00 0.00 H -ATOM 5173 O1 TIP3A1725 25.096 31.483 29.600 1.00 0.00 O -ATOM 5174 H1 TIP3A1725 24.775 30.753 29.072 1.00 0.00 H -ATOM 5175 H2 TIP3A1725 25.228 32.194 28.972 1.00 0.00 H -ATOM 5176 O1 TIP3A1726 6.076 28.240 24.096 1.00 0.00 O -ATOM 5177 H1 TIP3A1726 6.494 29.100 24.064 1.00 0.00 H -ATOM 5178 H2 TIP3A1726 6.208 27.876 23.220 1.00 0.00 H -ATOM 5179 O1 TIP3A1727 23.295 42.987 30.225 1.00 0.00 O -ATOM 5180 H1 TIP3A1727 24.017 42.420 29.959 1.00 0.00 H -ATOM 5181 H2 TIP3A1727 22.917 43.298 29.402 1.00 0.00 H -ATOM 5182 O1 TIP3A1728 26.072 39.814 53.819 1.00 0.00 O -ATOM 5183 H1 TIP3A1728 26.076 38.870 53.978 1.00 0.00 H -ATOM 5184 H2 TIP3A1728 25.613 39.915 52.985 1.00 0.00 H -ATOM 5185 O1 TIP3A1729 45.541 6.029 39.428 1.00 0.00 O -ATOM 5186 H1 TIP3A1729 45.516 6.577 38.645 1.00 0.00 H -ATOM 5187 H2 TIP3A1729 46.440 5.703 39.465 1.00 0.00 H -ATOM 5188 O1 TIP3A1730 56.783 45.418 31.503 1.00 0.00 O -ATOM 5189 H1 TIP3A1730 56.249 44.870 30.928 1.00 0.00 H -ATOM 5190 H2 TIP3A1730 57.271 44.795 32.043 1.00 0.00 H -ATOM 5191 O1 TIP3A1731 46.229 17.406 2.477 1.00 0.00 O -ATOM 5192 H1 TIP3A1731 46.865 16.709 2.318 1.00 0.00 H -ATOM 5193 H2 TIP3A1731 46.309 17.982 1.716 1.00 0.00 H -ATOM 5194 O1 TIP3A1732 37.424 9.213 21.895 1.00 0.00 O -ATOM 5195 H1 TIP3A1732 36.482 9.374 21.938 1.00 0.00 H -ATOM 5196 H2 TIP3A1732 37.629 8.764 22.716 1.00 0.00 H -ATOM 5197 O1 TIP3A1733 46.735 53.677 14.999 1.00 0.00 O -ATOM 5198 H1 TIP3A1733 47.652 53.403 15.005 1.00 0.00 H -ATOM 5199 H2 TIP3A1733 46.339 53.174 14.286 1.00 0.00 H -ATOM 5200 O1 TIP3A1734 1.752 44.459 53.576 1.00 0.00 O -ATOM 5201 H1 TIP3A1734 0.897 44.840 53.774 1.00 0.00 H -ATOM 5202 H2 TIP3A1734 1.980 43.961 54.361 1.00 0.00 H -ATOM 5203 O1 TIP3A1735 57.802 20.961 15.933 1.00 0.00 O -ATOM 5204 H1 TIP3A1735 57.953 20.160 16.433 1.00 0.00 H -ATOM 5205 H2 TIP3A1735 58.000 20.720 15.028 1.00 0.00 H -ATOM 5206 O1 TIP3A1736 31.053 25.704 31.851 1.00 0.00 O -ATOM 5207 H1 TIP3A1736 30.809 26.623 31.950 1.00 0.00 H -ATOM 5208 H2 TIP3A1736 30.338 25.219 32.265 1.00 0.00 H -ATOM 5209 O1 TIP3A1737 42.242 45.765 4.873 1.00 0.00 O -ATOM 5210 H1 TIP3A1737 42.442 46.622 4.499 1.00 0.00 H -ATOM 5211 H2 TIP3A1737 41.849 45.274 4.150 1.00 0.00 H -ATOM 5212 O1 TIP3A1738 13.209 3.441 5.607 1.00 0.00 O -ATOM 5213 H1 TIP3A1738 13.791 2.731 5.339 1.00 0.00 H -ATOM 5214 H2 TIP3A1738 13.704 3.920 6.272 1.00 0.00 H -ATOM 5215 O1 TIP3A1739 20.647 26.739 48.080 1.00 0.00 O -ATOM 5216 H1 TIP3A1739 19.916 27.347 48.186 1.00 0.00 H -ATOM 5217 H2 TIP3A1739 20.671 26.247 48.901 1.00 0.00 H -ATOM 5218 O1 TIP3A1740 36.692 23.350 4.296 1.00 0.00 O -ATOM 5219 H1 TIP3A1740 36.917 23.049 5.176 1.00 0.00 H -ATOM 5220 H2 TIP3A1740 35.735 23.385 4.291 1.00 0.00 H -ATOM 5221 O1 TIP3A1741 50.183 57.179 17.616 1.00 0.00 O -ATOM 5222 H1 TIP3A1741 49.963 56.521 16.957 1.00 0.00 H -ATOM 5223 H2 TIP3A1741 49.847 58.001 17.257 1.00 0.00 H -ATOM 5224 O1 TIP3A1742 32.177 42.286 47.459 1.00 0.00 O -ATOM 5225 H1 TIP3A1742 31.659 42.618 48.191 1.00 0.00 H -ATOM 5226 H2 TIP3A1742 32.888 42.921 47.361 1.00 0.00 H -ATOM 5227 O1 TIP3A1743 0.177 47.411 40.260 1.00 0.00 O -ATOM 5228 H1 TIP3A1743 0.000 46.539 39.909 1.00 0.00 H -ATOM 5229 H2 TIP3A1743 0.696 47.843 39.581 1.00 0.00 H -ATOM 5230 O1 TIP3A1744 10.213 40.598 0.851 1.00 0.00 O -ATOM 5231 H1 TIP3A1744 9.330 40.459 0.511 1.00 0.00 H -ATOM 5232 H2 TIP3A1744 10.670 41.063 0.149 1.00 0.00 H -ATOM 5233 O1 TIP3A1745 51.285 8.105 8.299 1.00 0.00 O -ATOM 5234 H1 TIP3A1745 50.709 7.969 9.051 1.00 0.00 H -ATOM 5235 H2 TIP3A1745 51.067 7.392 7.698 1.00 0.00 H -ATOM 5236 O1 TIP3A1746 41.556 31.785 41.793 1.00 0.00 O -ATOM 5237 H1 TIP3A1746 41.262 31.511 40.925 1.00 0.00 H -ATOM 5238 H2 TIP3A1746 42.491 31.577 41.807 1.00 0.00 H -ATOM 5239 O1 TIP3A1747 8.525 24.491 52.691 1.00 0.00 O -ATOM 5240 H1 TIP3A1747 9.273 23.963 52.414 1.00 0.00 H -ATOM 5241 H2 TIP3A1747 8.895 25.357 52.867 1.00 0.00 H -ATOM 5242 O1 TIP3A1748 24.370 10.369 14.351 1.00 0.00 O -ATOM 5243 H1 TIP3A1748 24.730 9.489 14.249 1.00 0.00 H -ATOM 5244 H2 TIP3A1748 23.484 10.229 14.684 1.00 0.00 H -ATOM 5245 O1 TIP3A1749 57.999 14.623 52.606 1.00 0.00 O -ATOM 5246 H1 TIP3A1749 58.004 14.708 51.653 1.00 0.00 H -ATOM 5247 H2 TIP3A1749 57.367 15.278 52.902 1.00 0.00 H -ATOM 5248 O1 TIP3A1750 25.329 26.567 10.339 1.00 0.00 O -ATOM 5249 H1 TIP3A1750 25.740 27.423 10.452 1.00 0.00 H -ATOM 5250 H2 TIP3A1750 24.835 26.643 9.523 1.00 0.00 H -ATOM 5251 O1 TIP3A1751 25.995 49.842 17.981 1.00 0.00 O -ATOM 5252 H1 TIP3A1751 26.638 50.172 17.354 1.00 0.00 H -ATOM 5253 H2 TIP3A1751 26.442 49.882 18.827 1.00 0.00 H -ATOM 5254 O1 TIP3A1752 21.882 9.877 57.387 1.00 0.00 O -ATOM 5255 H1 TIP3A1752 21.108 10.368 57.658 1.00 0.00 H -ATOM 5256 H2 TIP3A1752 21.670 9.560 56.508 1.00 0.00 H -ATOM 5257 O1 TIP3A1753 33.709 7.986 18.599 1.00 0.00 O -ATOM 5258 H1 TIP3A1753 32.781 7.928 18.824 1.00 0.00 H -ATOM 5259 H2 TIP3A1753 33.717 8.281 17.688 1.00 0.00 H -ATOM 5260 O1 TIP3A1754 20.980 40.225 38.621 1.00 0.00 O -ATOM 5261 H1 TIP3A1754 20.220 39.651 38.708 1.00 0.00 H -ATOM 5262 H2 TIP3A1754 20.952 40.781 39.401 1.00 0.00 H -ATOM 5263 O1 TIP3A1755 1.215 42.991 45.452 1.00 0.00 O -ATOM 5264 H1 TIP3A1755 2.090 42.809 45.111 1.00 0.00 H -ATOM 5265 H2 TIP3A1755 1.085 42.337 46.140 1.00 0.00 H -ATOM 5266 O1 TIP3A1756 7.362 18.087 52.255 1.00 0.00 O -ATOM 5267 H1 TIP3A1756 6.413 17.965 52.275 1.00 0.00 H -ATOM 5268 H2 TIP3A1756 7.501 18.777 51.606 1.00 0.00 H -ATOM 5269 O1 TIP3A1757 5.197 16.370 26.311 1.00 0.00 O -ATOM 5270 H1 TIP3A1757 5.041 15.427 26.273 1.00 0.00 H -ATOM 5271 H2 TIP3A1757 4.484 16.753 25.800 1.00 0.00 H -ATOM 5272 O1 TIP3A1758 38.841 40.506 51.326 1.00 0.00 O -ATOM 5273 H1 TIP3A1758 39.341 41.257 51.644 1.00 0.00 H -ATOM 5274 H2 TIP3A1758 38.390 40.172 52.103 1.00 0.00 H -ATOM 5275 O1 TIP3A1759 19.246 20.688 2.584 1.00 0.00 O -ATOM 5276 H1 TIP3A1759 18.350 20.932 2.354 1.00 0.00 H -ATOM 5277 H2 TIP3A1759 19.549 21.396 3.154 1.00 0.00 H -ATOM 5278 O1 TIP3A1760 36.900 20.542 33.214 1.00 0.00 O -ATOM 5279 H1 TIP3A1760 37.346 20.155 33.967 1.00 0.00 H -ATOM 5280 H2 TIP3A1760 36.299 19.859 32.914 1.00 0.00 H -ATOM 5281 O1 TIP3A1761 10.643 19.145 37.934 1.00 0.00 O -ATOM 5282 H1 TIP3A1761 11.035 18.949 38.785 1.00 0.00 H -ATOM 5283 H2 TIP3A1761 11.222 19.805 37.550 1.00 0.00 H -ATOM 5284 O1 TIP3A1762 29.890 20.801 31.468 1.00 0.00 O -ATOM 5285 H1 TIP3A1762 29.447 20.238 30.835 1.00 0.00 H -ATOM 5286 H2 TIP3A1762 30.709 20.344 31.665 1.00 0.00 H -ATOM 5287 O1 TIP3A1763 18.810 44.397 4.590 1.00 0.00 O -ATOM 5288 H1 TIP3A1763 19.757 44.282 4.667 1.00 0.00 H -ATOM 5289 H2 TIP3A1763 18.552 44.823 5.408 1.00 0.00 H -ATOM 5290 O1 TIP3A1764 18.825 47.096 46.859 1.00 0.00 O -ATOM 5291 H1 TIP3A1764 18.992 46.527 47.610 1.00 0.00 H -ATOM 5292 H2 TIP3A1764 19.100 46.580 46.101 1.00 0.00 H -ATOM 5293 O1 TIP3A1765 21.675 28.753 6.821 1.00 0.00 O -ATOM 5294 H1 TIP3A1765 22.269 29.023 6.122 1.00 0.00 H -ATOM 5295 H2 TIP3A1765 21.159 29.537 7.012 1.00 0.00 H -ATOM 5296 O1 TIP3A1766 41.834 15.612 17.545 1.00 0.00 O -ATOM 5297 H1 TIP3A1766 41.968 16.426 18.028 1.00 0.00 H -ATOM 5298 H2 TIP3A1766 42.667 15.457 17.100 1.00 0.00 H -ATOM 5299 O1 TIP3A1767 2.362 8.378 56.227 1.00 0.00 O -ATOM 5300 H1 TIP3A1767 2.950 8.215 56.964 1.00 0.00 H -ATOM 5301 H2 TIP3A1767 1.496 8.127 56.551 1.00 0.00 H -ATOM 5302 O1 TIP3A1768 16.081 37.023 8.240 1.00 0.00 O -ATOM 5303 H1 TIP3A1768 16.396 37.126 7.342 1.00 0.00 H -ATOM 5304 H2 TIP3A1768 15.595 36.198 8.231 1.00 0.00 H -ATOM 5305 O1 TIP3A1769 36.158 33.586 55.693 1.00 0.00 O -ATOM 5306 H1 TIP3A1769 37.095 33.441 55.826 1.00 0.00 H -ATOM 5307 H2 TIP3A1769 35.984 34.430 56.111 1.00 0.00 H -ATOM 5308 O1 TIP3A1770 40.027 44.200 4.845 1.00 0.00 O -ATOM 5309 H1 TIP3A1770 39.737 45.096 5.014 1.00 0.00 H -ATOM 5310 H2 TIP3A1770 39.441 43.654 5.371 1.00 0.00 H -ATOM 5311 O1 TIP3A1771 3.928 47.462 55.997 1.00 0.00 O -ATOM 5312 H1 TIP3A1771 3.049 47.687 56.301 1.00 0.00 H -ATOM 5313 H2 TIP3A1771 3.846 47.406 55.044 1.00 0.00 H -ATOM 5314 O1 TIP3A1772 25.324 36.454 56.465 1.00 0.00 O -ATOM 5315 H1 TIP3A1772 24.463 36.068 56.310 1.00 0.00 H -ATOM 5316 H2 TIP3A1772 25.373 36.559 57.415 1.00 0.00 H -ATOM 5317 O1 TIP3A1773 41.473 23.294 9.087 1.00 0.00 O -ATOM 5318 H1 TIP3A1773 40.649 23.759 8.946 1.00 0.00 H -ATOM 5319 H2 TIP3A1773 41.991 23.479 8.303 1.00 0.00 H -ATOM 5320 O1 TIP3A1774 39.382 19.762 29.197 1.00 0.00 O -ATOM 5321 H1 TIP3A1774 38.557 20.065 29.574 1.00 0.00 H -ATOM 5322 H2 TIP3A1774 39.949 20.534 29.210 1.00 0.00 H -ATOM 5323 O1 TIP3A1775 9.480 18.094 33.538 1.00 0.00 O -ATOM 5324 H1 TIP3A1775 10.035 18.574 34.151 1.00 0.00 H -ATOM 5325 H2 TIP3A1775 9.603 18.542 32.701 1.00 0.00 H -ATOM 5326 O1 TIP3A1776 27.453 41.039 16.763 1.00 0.00 O -ATOM 5327 H1 TIP3A1776 28.111 40.348 16.833 1.00 0.00 H -ATOM 5328 H2 TIP3A1776 27.069 40.917 15.894 1.00 0.00 H -ATOM 5329 O1 TIP3A1777 6.326 50.196 48.000 1.00 0.00 O -ATOM 5330 H1 TIP3A1777 6.620 50.871 48.611 1.00 0.00 H -ATOM 5331 H2 TIP3A1777 5.409 50.409 47.829 1.00 0.00 H -ATOM 5332 O1 TIP3A1778 49.478 3.982 23.842 1.00 0.00 O -ATOM 5333 H1 TIP3A1778 49.235 3.229 24.380 1.00 0.00 H -ATOM 5334 H2 TIP3A1778 49.103 3.794 22.982 1.00 0.00 H -ATOM 5335 O1 TIP3A1779 53.453 31.466 6.057 1.00 0.00 O -ATOM 5336 H1 TIP3A1779 53.728 30.549 6.050 1.00 0.00 H -ATOM 5337 H2 TIP3A1779 53.067 31.594 6.923 1.00 0.00 H -ATOM 5338 O1 TIP3A1780 26.791 44.305 29.673 1.00 0.00 O -ATOM 5339 H1 TIP3A1780 26.128 43.622 29.572 1.00 0.00 H -ATOM 5340 H2 TIP3A1780 26.557 44.965 29.020 1.00 0.00 H -ATOM 5341 O1 TIP3A1781 33.574 30.771 28.945 1.00 0.00 O -ATOM 5342 H1 TIP3A1781 34.179 30.090 28.653 1.00 0.00 H -ATOM 5343 H2 TIP3A1781 34.131 31.413 29.387 1.00 0.00 H -ATOM 5344 O1 TIP3A1782 41.718 9.071 17.413 1.00 0.00 O -ATOM 5345 H1 TIP3A1782 42.618 8.748 17.425 1.00 0.00 H -ATOM 5346 H2 TIP3A1782 41.711 9.784 18.052 1.00 0.00 H -ATOM 5347 O1 TIP3A1783 42.171 10.704 1.541 1.00 0.00 O -ATOM 5348 H1 TIP3A1783 42.264 10.359 2.428 1.00 0.00 H -ATOM 5349 H2 TIP3A1783 41.497 10.156 1.139 1.00 0.00 H -ATOM 5350 O1 TIP3A1784 10.477 45.373 11.114 1.00 0.00 O -ATOM 5351 H1 TIP3A1784 10.173 46.272 10.994 1.00 0.00 H -ATOM 5352 H2 TIP3A1784 9.932 45.028 11.823 1.00 0.00 H -ATOM 5353 O1 TIP3A1785 49.621 26.617 36.871 1.00 0.00 O -ATOM 5354 H1 TIP3A1785 49.230 25.914 37.388 1.00 0.00 H -ATOM 5355 H2 TIP3A1785 49.057 27.374 37.029 1.00 0.00 H -ATOM 5356 O1 TIP3A1786 28.314 15.062 1.706 1.00 0.00 O -ATOM 5357 H1 TIP3A1786 27.358 15.022 1.716 1.00 0.00 H -ATOM 5358 H2 TIP3A1786 28.519 15.760 1.083 1.00 0.00 H -ATOM 5359 O1 TIP3A1787 2.903 46.427 45.401 1.00 0.00 O -ATOM 5360 H1 TIP3A1787 3.631 46.379 44.783 1.00 0.00 H -ATOM 5361 H2 TIP3A1787 3.304 46.709 46.223 1.00 0.00 H -ATOM 5362 O1 TIP3A1788 11.571 0.782 32.149 1.00 0.00 O -ATOM 5363 H1 TIP3A1788 11.470 0.369 33.006 1.00 0.00 H -ATOM 5364 H2 TIP3A1788 11.713 0.051 31.545 1.00 0.00 H -ATOM 5365 O1 TIP3A1789 9.108 32.548 15.739 1.00 0.00 O -ATOM 5366 H1 TIP3A1789 9.143 31.620 15.967 1.00 0.00 H -ATOM 5367 H2 TIP3A1789 9.201 32.564 14.785 1.00 0.00 H -ATOM 5368 O1 TIP3A1790 25.390 54.703 49.128 1.00 0.00 O -ATOM 5369 H1 TIP3A1790 26.339 54.583 49.138 1.00 0.00 H -ATOM 5370 H2 TIP3A1790 25.139 54.553 48.216 1.00 0.00 H -ATOM 5371 O1 TIP3A1791 50.342 46.304 2.850 1.00 0.00 O -ATOM 5372 H1 TIP3A1791 49.872 47.132 2.941 1.00 0.00 H -ATOM 5373 H2 TIP3A1791 49.919 45.717 3.476 1.00 0.00 H -ATOM 5374 O1 TIP3A1792 4.851 15.233 28.523 1.00 0.00 O -ATOM 5375 H1 TIP3A1792 5.191 16.058 28.866 1.00 0.00 H -ATOM 5376 H2 TIP3A1792 4.624 14.724 29.302 1.00 0.00 H -ATOM 5377 O1 TIP3A1793 3.434 38.521 37.274 1.00 0.00 O -ATOM 5378 H1 TIP3A1793 2.887 37.766 37.488 1.00 0.00 H -ATOM 5379 H2 TIP3A1793 3.813 38.789 38.112 1.00 0.00 H -ATOM 5380 O1 TIP3A1794 29.888 6.942 39.589 1.00 0.00 O -ATOM 5381 H1 TIP3A1794 30.633 6.559 40.051 1.00 0.00 H -ATOM 5382 H2 TIP3A1794 30.187 7.031 38.684 1.00 0.00 H -ATOM 5383 O1 TIP3A1795 50.543 31.903 8.350 1.00 0.00 O -ATOM 5384 H1 TIP3A1795 51.016 31.147 8.696 1.00 0.00 H -ATOM 5385 H2 TIP3A1795 50.803 31.949 7.430 1.00 0.00 H -ATOM 5386 O1 TIP3A1796 57.057 49.029 15.683 1.00 0.00 O -ATOM 5387 H1 TIP3A1796 57.983 49.247 15.777 1.00 0.00 H -ATOM 5388 H2 TIP3A1796 56.595 49.749 16.112 1.00 0.00 H -ATOM 5389 O1 TIP3A1797 38.613 21.570 10.195 1.00 0.00 O -ATOM 5390 H1 TIP3A1797 38.379 20.659 10.017 1.00 0.00 H -ATOM 5391 H2 TIP3A1797 39.402 21.722 9.674 1.00 0.00 H -ATOM 5392 O1 TIP3A1798 25.990 57.821 3.537 1.00 0.00 O -ATOM 5393 H1 TIP3A1798 26.920 58.000 3.669 1.00 0.00 H -ATOM 5394 H2 TIP3A1798 25.868 56.929 3.862 1.00 0.00 H -ATOM 5395 O1 TIP3A1799 13.541 52.028 43.399 1.00 0.00 O -ATOM 5396 H1 TIP3A1799 12.666 51.996 43.014 1.00 0.00 H -ATOM 5397 H2 TIP3A1799 14.079 52.467 42.739 1.00 0.00 H -ATOM 5398 O1 TIP3A1800 14.418 41.667 24.599 1.00 0.00 O -ATOM 5399 H1 TIP3A1800 13.952 40.832 24.569 1.00 0.00 H -ATOM 5400 H2 TIP3A1800 13.999 42.201 23.924 1.00 0.00 H -ATOM 5401 O1 TIP3A1801 32.099 36.367 3.137 1.00 0.00 O -ATOM 5402 H1 TIP3A1801 31.377 36.005 3.650 1.00 0.00 H -ATOM 5403 H2 TIP3A1801 32.883 35.958 3.503 1.00 0.00 H -ATOM 5404 O1 TIP3A1802 6.016 35.728 7.488 1.00 0.00 O -ATOM 5405 H1 TIP3A1802 5.097 35.468 7.423 1.00 0.00 H -ATOM 5406 H2 TIP3A1802 6.017 36.661 7.274 1.00 0.00 H -ATOM 5407 O1 TIP3A1803 35.976 30.631 22.082 1.00 0.00 O -ATOM 5408 H1 TIP3A1803 36.535 30.202 21.435 1.00 0.00 H -ATOM 5409 H2 TIP3A1803 35.289 31.052 21.565 1.00 0.00 H -ATOM 5410 O1 TIP3A1804 49.129 19.279 13.355 1.00 0.00 O -ATOM 5411 H1 TIP3A1804 49.469 19.781 14.095 1.00 0.00 H -ATOM 5412 H2 TIP3A1804 49.405 19.773 12.583 1.00 0.00 H -ATOM 5413 O1 TIP3A1805 52.416 25.646 1.918 1.00 0.00 O -ATOM 5414 H1 TIP3A1805 52.966 26.409 1.740 1.00 0.00 H -ATOM 5415 H2 TIP3A1805 51.999 25.841 2.758 1.00 0.00 H -ATOM 5416 O1 TIP3A1806 16.862 54.700 10.674 1.00 0.00 O -ATOM 5417 H1 TIP3A1806 17.515 54.650 11.372 1.00 0.00 H -ATOM 5418 H2 TIP3A1806 17.108 55.477 10.171 1.00 0.00 H -ATOM 5419 O1 TIP3A1807 24.889 0.350 22.435 1.00 0.00 O -ATOM 5420 H1 TIP3A1807 24.754 0.003 23.317 1.00 0.00 H -ATOM 5421 H2 TIP3A1807 24.066 0.171 21.979 1.00 0.00 H -ATOM 5422 O1 TIP3A1808 2.883 20.697 2.027 1.00 0.00 O -ATOM 5423 H1 TIP3A1808 2.361 21.311 1.510 1.00 0.00 H -ATOM 5424 H2 TIP3A1808 2.390 19.876 1.994 1.00 0.00 H -ATOM 5425 O1 TIP3A1809 34.080 56.405 26.220 1.00 0.00 O -ATOM 5426 H1 TIP3A1809 34.956 56.536 25.859 1.00 0.00 H -ATOM 5427 H2 TIP3A1809 34.049 56.977 26.987 1.00 0.00 H -ATOM 5428 O1 TIP3A1810 53.984 57.528 36.585 1.00 0.00 O -ATOM 5429 H1 TIP3A1810 53.029 57.560 36.533 1.00 0.00 H -ATOM 5430 H2 TIP3A1810 54.174 56.668 36.963 1.00 0.00 H -ATOM 5431 O1 TIP3A1811 52.822 1.183 29.680 1.00 0.00 O -ATOM 5432 H1 TIP3A1811 52.002 1.590 29.404 1.00 0.00 H -ATOM 5433 H2 TIP3A1811 53.504 1.775 29.361 1.00 0.00 H -ATOM 5434 O1 TIP3A1812 3.404 27.068 22.742 1.00 0.00 O -ATOM 5435 H1 TIP3A1812 3.989 26.544 23.288 1.00 0.00 H -ATOM 5436 H2 TIP3A1812 2.871 27.563 23.366 1.00 0.00 H -ATOM 5437 O1 TIP3A1813 4.714 48.601 26.141 1.00 0.00 O -ATOM 5438 H1 TIP3A1813 3.762 48.684 26.181 1.00 0.00 H -ATOM 5439 H2 TIP3A1813 5.036 49.502 26.184 1.00 0.00 H -ATOM 5440 O1 TIP3A1814 11.315 21.897 0.001 1.00 0.00 O -ATOM 5441 H1 TIP3A1814 11.101 20.965 0.016 1.00 0.00 H -ATOM 5442 H2 TIP3A1814 12.017 21.993 0.646 1.00 0.00 H -ATOM 5443 O1 TIP3A1815 57.627 17.214 29.839 1.00 0.00 O -ATOM 5444 H1 TIP3A1815 58.067 16.454 29.459 1.00 0.00 H -ATOM 5445 H2 TIP3A1815 57.998 17.964 29.372 1.00 0.00 H -ATOM 5446 O1 TIP3A1816 10.073 56.190 22.670 1.00 0.00 O -ATOM 5447 H1 TIP3A1816 9.143 56.015 22.528 1.00 0.00 H -ATOM 5448 H2 TIP3A1816 10.203 56.048 23.608 1.00 0.00 H -ATOM 5449 O1 TIP3A1817 16.167 30.724 37.695 1.00 0.00 O -ATOM 5450 H1 TIP3A1817 15.951 31.595 37.364 1.00 0.00 H -ATOM 5451 H2 TIP3A1817 16.426 30.870 38.605 1.00 0.00 H -ATOM 5452 O1 TIP3A1818 30.476 15.747 55.137 1.00 0.00 O -ATOM 5453 H1 TIP3A1818 30.952 14.976 54.830 1.00 0.00 H -ATOM 5454 H2 TIP3A1818 30.261 16.230 54.338 1.00 0.00 H -ATOM 5455 O1 TIP3A1819 24.777 47.970 5.073 1.00 0.00 O -ATOM 5456 H1 TIP3A1819 24.019 48.550 5.010 1.00 0.00 H -ATOM 5457 H2 TIP3A1819 25.453 48.504 5.491 1.00 0.00 H -ATOM 5458 O1 TIP3A1820 11.913 25.542 13.723 1.00 0.00 O -ATOM 5459 H1 TIP3A1820 11.417 26.031 14.380 1.00 0.00 H -ATOM 5460 H2 TIP3A1820 12.649 25.167 14.208 1.00 0.00 H -ATOM 5461 O1 TIP3A1821 14.277 32.844 54.658 1.00 0.00 O -ATOM 5462 H1 TIP3A1821 14.631 32.278 53.973 1.00 0.00 H -ATOM 5463 H2 TIP3A1821 13.385 33.041 54.369 1.00 0.00 H -ATOM 5464 O1 TIP3A1822 42.309 29.024 52.326 1.00 0.00 O -ATOM 5465 H1 TIP3A1822 42.663 28.179 52.601 1.00 0.00 H -ATOM 5466 H2 TIP3A1822 41.709 28.812 51.610 1.00 0.00 H -ATOM 5467 O1 TIP3A1823 9.024 39.614 13.731 1.00 0.00 O -ATOM 5468 H1 TIP3A1823 8.069 39.579 13.769 1.00 0.00 H -ATOM 5469 H2 TIP3A1823 9.304 38.709 13.876 1.00 0.00 H -ATOM 5470 O1 TIP3A1824 8.837 33.572 55.077 1.00 0.00 O -ATOM 5471 H1 TIP3A1824 9.503 33.661 55.758 1.00 0.00 H -ATOM 5472 H2 TIP3A1824 9.063 34.243 54.432 1.00 0.00 H -ATOM 5473 O1 TIP3A1825 25.862 38.305 0.217 1.00 0.00 O -ATOM 5474 H1 TIP3A1825 25.528 39.174 -0.002 1.00 0.00 H -ATOM 5475 H2 TIP3A1825 25.233 37.958 0.851 1.00 0.00 H -ATOM 5476 O1 TIP3A1826 39.597 26.794 38.722 1.00 0.00 O -ATOM 5477 H1 TIP3A1826 39.638 27.403 39.458 1.00 0.00 H -ATOM 5478 H2 TIP3A1826 40.109 26.037 39.008 1.00 0.00 H -ATOM 5479 O1 TIP3A1827 42.879 41.044 11.877 1.00 0.00 O -ATOM 5480 H1 TIP3A1827 43.214 41.939 11.890 1.00 0.00 H -ATOM 5481 H2 TIP3A1827 42.151 41.068 11.255 1.00 0.00 H -ATOM 5482 O1 TIP3A1828 21.097 13.034 52.965 1.00 0.00 O -ATOM 5483 H1 TIP3A1828 20.707 13.082 52.093 1.00 0.00 H -ATOM 5484 H2 TIP3A1828 21.869 12.478 52.852 1.00 0.00 H -ATOM 5485 O1 TIP3A1829 0.783 30.604 20.504 1.00 0.00 O -ATOM 5486 H1 TIP3A1829 0.970 29.689 20.708 1.00 0.00 H -ATOM 5487 H2 TIP3A1829 0.000 30.572 19.953 1.00 0.00 H -ATOM 5488 O1 TIP3A1830 14.635 19.074 33.581 1.00 0.00 O -ATOM 5489 H1 TIP3A1830 14.155 19.585 34.231 1.00 0.00 H -ATOM 5490 H2 TIP3A1830 15.544 19.092 33.884 1.00 0.00 H -ATOM 5491 O1 TIP3A1831 10.010 16.667 57.285 1.00 0.00 O -ATOM 5492 H1 TIP3A1831 9.818 16.456 56.372 1.00 0.00 H -ATOM 5493 H2 TIP3A1831 10.149 17.614 57.287 1.00 0.00 H -ATOM 5494 O1 TIP3A1832 11.417 1.252 37.597 1.00 0.00 O -ATOM 5495 H1 TIP3A1832 12.369 1.349 37.592 1.00 0.00 H -ATOM 5496 H2 TIP3A1832 11.245 0.598 38.276 1.00 0.00 H -ATOM 5497 O1 TIP3A1833 53.742 34.184 19.736 1.00 0.00 O -ATOM 5498 H1 TIP3A1833 54.201 35.002 19.549 1.00 0.00 H -ATOM 5499 H2 TIP3A1833 53.248 34.363 20.537 1.00 0.00 H -ATOM 5500 O1 TIP3A1834 46.540 0.746 46.907 1.00 0.00 O -ATOM 5501 H1 TIP3A1834 47.001 0.762 47.745 1.00 0.00 H -ATOM 5502 H2 TIP3A1834 46.895 -0.018 46.452 1.00 0.00 H -ATOM 5503 O1 TIP3A1835 34.171 34.384 36.803 1.00 0.00 O -ATOM 5504 H1 TIP3A1835 33.849 35.019 37.441 1.00 0.00 H -ATOM 5505 H2 TIP3A1835 35.005 34.082 37.164 1.00 0.00 H -ATOM 5506 O1 TIP3A1836 46.438 34.411 12.511 1.00 0.00 O -ATOM 5507 H1 TIP3A1836 45.643 34.606 12.016 1.00 0.00 H -ATOM 5508 H2 TIP3A1836 47.113 34.958 12.106 1.00 0.00 H -ATOM 5509 O1 TIP3A1837 32.404 52.628 50.611 1.00 0.00 O -ATOM 5510 H1 TIP3A1837 31.525 52.335 50.848 1.00 0.00 H -ATOM 5511 H2 TIP3A1837 32.276 53.155 49.821 1.00 0.00 H -ATOM 5512 O1 TIP3A1838 1.963 36.656 11.494 1.00 0.00 O -ATOM 5513 H1 TIP3A1838 2.488 35.946 11.125 1.00 0.00 H -ATOM 5514 H2 TIP3A1838 2.577 37.384 11.589 1.00 0.00 H -ATOM 5515 O1 TIP3A1839 11.675 9.128 6.706 1.00 0.00 O -ATOM 5516 H1 TIP3A1839 12.451 9.342 7.225 1.00 0.00 H -ATOM 5517 H2 TIP3A1839 11.895 9.413 5.819 1.00 0.00 H -ATOM 5518 O1 TIP3A1840 11.429 26.651 0.950 1.00 0.00 O -ATOM 5519 H1 TIP3A1840 10.503 26.836 1.098 1.00 0.00 H -ATOM 5520 H2 TIP3A1840 11.517 26.612 -0.003 1.00 0.00 H -ATOM 5521 O1 TIP3A1841 54.187 37.056 36.616 1.00 0.00 O -ATOM 5522 H1 TIP3A1841 53.756 36.568 37.317 1.00 0.00 H -ATOM 5523 H2 TIP3A1841 54.770 37.665 37.070 1.00 0.00 H -ATOM 5524 O1 TIP3A1842 51.577 22.693 27.079 1.00 0.00 O -ATOM 5525 H1 TIP3A1842 50.799 22.156 27.226 1.00 0.00 H -ATOM 5526 H2 TIP3A1842 52.096 22.586 27.876 1.00 0.00 H -ATOM 5527 O1 TIP3A1843 20.999 23.829 40.376 1.00 0.00 O -ATOM 5528 H1 TIP3A1843 21.306 24.517 40.967 1.00 0.00 H -ATOM 5529 H2 TIP3A1843 21.799 23.408 40.061 1.00 0.00 H -ATOM 5530 O1 TIP3A1844 12.275 14.136 54.871 1.00 0.00 O -ATOM 5531 H1 TIP3A1844 12.767 14.771 55.391 1.00 0.00 H -ATOM 5532 H2 TIP3A1844 12.350 14.454 53.971 1.00 0.00 H -ATOM 5533 O1 TIP3A1845 42.166 44.375 14.974 1.00 0.00 O -ATOM 5534 H1 TIP3A1845 41.524 43.727 14.688 1.00 0.00 H -ATOM 5535 H2 TIP3A1845 42.675 44.573 14.187 1.00 0.00 H -ATOM 5536 O1 TIP3A1846 53.458 28.069 13.019 1.00 0.00 O -ATOM 5537 H1 TIP3A1846 53.706 28.841 12.512 1.00 0.00 H -ATOM 5538 H2 TIP3A1846 54.176 27.451 12.882 1.00 0.00 H -ATOM 5539 O1 TIP3A1847 35.379 24.267 25.407 1.00 0.00 O -ATOM 5540 H1 TIP3A1847 34.905 24.218 26.237 1.00 0.00 H -ATOM 5541 H2 TIP3A1847 35.622 23.361 25.216 1.00 0.00 H -ATOM 5542 O1 TIP3A1848 57.578 10.884 29.528 1.00 0.00 O -ATOM 5543 H1 TIP3A1848 57.451 9.944 29.650 1.00 0.00 H -ATOM 5544 H2 TIP3A1848 58.000 11.176 30.337 1.00 0.00 H -ATOM 5545 O1 TIP3A1849 39.224 39.943 36.418 1.00 0.00 O -ATOM 5546 H1 TIP3A1849 39.343 39.976 37.367 1.00 0.00 H -ATOM 5547 H2 TIP3A1849 40.100 40.091 36.061 1.00 0.00 H -ATOM 5548 O1 TIP3A1850 13.963 20.134 5.114 1.00 0.00 O -ATOM 5549 H1 TIP3A1850 14.542 19.398 4.920 1.00 0.00 H -ATOM 5550 H2 TIP3A1850 13.720 20.014 6.032 1.00 0.00 H -ATOM 5551 O1 TIP3A1851 29.335 43.840 39.190 1.00 0.00 O -ATOM 5552 H1 TIP3A1851 30.244 44.133 39.240 1.00 0.00 H -ATOM 5553 H2 TIP3A1851 28.840 44.510 39.663 1.00 0.00 H -ATOM 5554 O1 TIP3A1852 0.500 11.988 41.792 1.00 0.00 O -ATOM 5555 H1 TIP3A1852 -0.000 11.175 41.852 1.00 0.00 H -ATOM 5556 H2 TIP3A1852 0.038 12.507 41.132 1.00 0.00 H -ATOM 5557 O1 TIP3A1853 36.620 12.632 38.335 1.00 0.00 O -ATOM 5558 H1 TIP3A1853 36.741 11.708 38.118 1.00 0.00 H -ATOM 5559 H2 TIP3A1853 36.235 13.015 37.546 1.00 0.00 H -ATOM 5560 O1 TIP3A1854 53.855 52.479 1.575 1.00 0.00 O -ATOM 5561 H1 TIP3A1854 53.828 51.871 0.837 1.00 0.00 H -ATOM 5562 H2 TIP3A1854 53.587 53.320 1.202 1.00 0.00 H -ATOM 5563 O1 TIP3A1855 46.423 5.065 34.867 1.00 0.00 O -ATOM 5564 H1 TIP3A1855 46.270 5.883 35.339 1.00 0.00 H -ATOM 5565 H2 TIP3A1855 46.539 4.409 35.555 1.00 0.00 H -ATOM 5566 O1 TIP3A1856 17.085 36.224 25.419 1.00 0.00 O -ATOM 5567 H1 TIP3A1856 17.888 35.823 25.750 1.00 0.00 H -ATOM 5568 H2 TIP3A1856 16.614 35.506 24.996 1.00 0.00 H -ATOM 5569 O1 TIP3A1857 47.969 54.691 51.360 1.00 0.00 O -ATOM 5570 H1 TIP3A1857 47.018 54.596 51.327 1.00 0.00 H -ATOM 5571 H2 TIP3A1857 48.121 55.629 51.246 1.00 0.00 H -ATOM 5572 O1 TIP3A1858 43.939 29.162 39.206 1.00 0.00 O -ATOM 5573 H1 TIP3A1858 44.276 28.267 39.185 1.00 0.00 H -ATOM 5574 H2 TIP3A1858 44.473 29.605 39.866 1.00 0.00 H -ATOM 5575 O1 TIP3A1859 1.027 31.979 0.269 1.00 0.00 O -ATOM 5576 H1 TIP3A1859 1.244 32.909 0.218 1.00 0.00 H -ATOM 5577 H2 TIP3A1859 0.298 31.935 0.888 1.00 0.00 H -ATOM 5578 O1 TIP3A1860 35.232 46.880 26.681 1.00 0.00 O -ATOM 5579 H1 TIP3A1860 34.341 46.653 26.948 1.00 0.00 H -ATOM 5580 H2 TIP3A1860 35.770 46.684 27.449 1.00 0.00 H -ATOM 5581 O1 TIP3A1861 24.394 26.148 53.022 1.00 0.00 O -ATOM 5582 H1 TIP3A1861 23.472 26.376 52.912 1.00 0.00 H -ATOM 5583 H2 TIP3A1861 24.866 26.793 52.494 1.00 0.00 H -ATOM 5584 O1 TIP3A1862 23.878 26.174 44.259 1.00 0.00 O -ATOM 5585 H1 TIP3A1862 24.211 27.070 44.277 1.00 0.00 H -ATOM 5586 H2 TIP3A1862 23.173 26.166 44.908 1.00 0.00 H -ATOM 5587 O1 TIP3A1863 49.009 30.293 53.194 1.00 0.00 O -ATOM 5588 H1 TIP3A1863 49.446 30.936 52.638 1.00 0.00 H -ATOM 5589 H2 TIP3A1863 49.723 29.844 53.649 1.00 0.00 H -ATOM 5590 O1 TIP3A1864 53.718 10.611 12.193 1.00 0.00 O -ATOM 5591 H1 TIP3A1864 54.266 10.918 12.915 1.00 0.00 H -ATOM 5592 H2 TIP3A1864 53.393 11.412 11.781 1.00 0.00 H -ATOM 5593 O1 TIP3A1865 48.089 49.628 54.111 1.00 0.00 O -ATOM 5594 H1 TIP3A1865 48.995 49.811 53.863 1.00 0.00 H -ATOM 5595 H2 TIP3A1865 47.787 48.991 53.463 1.00 0.00 H -ATOM 5596 O1 TIP3A1866 46.855 34.000 49.531 1.00 0.00 O -ATOM 5597 H1 TIP3A1866 46.626 34.790 50.020 1.00 0.00 H -ATOM 5598 H2 TIP3A1866 47.615 34.255 49.005 1.00 0.00 H -ATOM 5599 O1 TIP3A1867 4.939 18.085 40.184 1.00 0.00 O -ATOM 5600 H1 TIP3A1867 5.495 18.855 40.298 1.00 0.00 H -ATOM 5601 H2 TIP3A1867 4.285 18.155 40.880 1.00 0.00 H -ATOM 5602 O1 TIP3A1868 19.671 11.701 39.354 1.00 0.00 O -ATOM 5603 H1 TIP3A1868 19.794 10.763 39.214 1.00 0.00 H -ATOM 5604 H2 TIP3A1868 19.032 11.961 38.690 1.00 0.00 H -ATOM 5605 O1 TIP3A1869 46.015 9.602 27.789 1.00 0.00 O -ATOM 5606 H1 TIP3A1869 46.395 10.459 27.601 1.00 0.00 H -ATOM 5607 H2 TIP3A1869 46.333 9.038 27.083 1.00 0.00 H -ATOM 5608 O1 TIP3A1870 26.383 11.190 18.369 1.00 0.00 O -ATOM 5609 H1 TIP3A1870 26.947 11.949 18.514 1.00 0.00 H -ATOM 5610 H2 TIP3A1870 26.692 10.814 17.545 1.00 0.00 H -ATOM 5611 O1 TIP3A1871 23.084 55.428 56.400 1.00 0.00 O -ATOM 5612 H1 TIP3A1871 22.790 55.826 57.219 1.00 0.00 H -ATOM 5613 H2 TIP3A1871 22.281 55.105 55.989 1.00 0.00 H -ATOM 5614 O1 TIP3A1872 55.570 19.970 31.367 1.00 0.00 O -ATOM 5615 H1 TIP3A1872 54.618 19.899 31.318 1.00 0.00 H -ATOM 5616 H2 TIP3A1872 55.825 19.332 32.034 1.00 0.00 H -ATOM 5617 O1 TIP3A1873 56.476 42.660 30.875 1.00 0.00 O -ATOM 5618 H1 TIP3A1873 55.528 42.532 30.882 1.00 0.00 H -ATOM 5619 H2 TIP3A1873 56.826 41.848 30.509 1.00 0.00 H -ATOM 5620 O1 TIP3A1874 30.691 22.372 46.643 1.00 0.00 O -ATOM 5621 H1 TIP3A1874 31.359 21.772 46.315 1.00 0.00 H -ATOM 5622 H2 TIP3A1874 30.567 23.003 45.933 1.00 0.00 H -ATOM 5623 O1 TIP3A1875 27.665 13.745 38.744 1.00 0.00 O -ATOM 5624 H1 TIP3A1875 28.511 13.319 38.881 1.00 0.00 H -ATOM 5625 H2 TIP3A1875 27.213 13.657 39.583 1.00 0.00 H -ATOM 5626 O1 TIP3A1876 25.066 15.095 43.125 1.00 0.00 O -ATOM 5627 H1 TIP3A1876 24.315 14.502 43.141 1.00 0.00 H -ATOM 5628 H2 TIP3A1876 24.901 15.710 43.840 1.00 0.00 H -ATOM 5629 O1 TIP3A1877 17.859 5.194 17.883 1.00 0.00 O -ATOM 5630 H1 TIP3A1877 18.516 4.526 18.076 1.00 0.00 H -ATOM 5631 H2 TIP3A1877 18.176 5.621 17.087 1.00 0.00 H -ATOM 5632 O1 TIP3A1878 42.323 1.485 12.001 1.00 0.00 O -ATOM 5633 H1 TIP3A1878 41.399 1.240 11.969 1.00 0.00 H -ATOM 5634 H2 TIP3A1878 42.387 2.256 11.437 1.00 0.00 H -ATOM 5635 O1 TIP3A1879 20.341 39.541 10.591 1.00 0.00 O -ATOM 5636 H1 TIP3A1879 19.944 38.671 10.575 1.00 0.00 H -ATOM 5637 H2 TIP3A1879 19.946 40.000 9.850 1.00 0.00 H -ATOM 5638 O1 TIP3A1880 49.185 51.311 28.864 1.00 0.00 O -ATOM 5639 H1 TIP3A1880 49.464 50.662 29.509 1.00 0.00 H -ATOM 5640 H2 TIP3A1880 48.233 51.353 28.962 1.00 0.00 H -ATOM 5641 O1 TIP3A1881 30.290 55.343 29.098 1.00 0.00 O -ATOM 5642 H1 TIP3A1881 29.386 55.036 29.035 1.00 0.00 H -ATOM 5643 H2 TIP3A1881 30.483 55.330 30.036 1.00 0.00 H -ATOM 5644 O1 TIP3A1882 8.201 8.815 32.137 1.00 0.00 O -ATOM 5645 H1 TIP3A1882 7.916 9.031 33.024 1.00 0.00 H -ATOM 5646 H2 TIP3A1882 9.056 9.236 32.049 1.00 0.00 H -ATOM 5647 O1 TIP3A1883 11.057 51.559 30.109 1.00 0.00 O -ATOM 5648 H1 TIP3A1883 11.741 50.965 30.417 1.00 0.00 H -ATOM 5649 H2 TIP3A1883 11.342 52.425 30.403 1.00 0.00 H -ATOM 5650 O1 TIP3A1884 53.240 45.867 24.385 1.00 0.00 O -ATOM 5651 H1 TIP3A1884 53.821 46.267 23.738 1.00 0.00 H -ATOM 5652 H2 TIP3A1884 52.578 45.412 23.863 1.00 0.00 H -ATOM 5653 O1 TIP3A1885 2.874 19.846 36.499 1.00 0.00 O -ATOM 5654 H1 TIP3A1885 2.126 20.246 36.941 1.00 0.00 H -ATOM 5655 H2 TIP3A1885 2.787 20.121 35.585 1.00 0.00 H -ATOM 5656 O1 TIP3A1886 6.230 54.638 55.487 1.00 0.00 O -ATOM 5657 H1 TIP3A1886 6.024 55.572 55.503 1.00 0.00 H -ATOM 5658 H2 TIP3A1886 5.777 54.279 56.251 1.00 0.00 H -ATOM 5659 O1 TIP3A1887 3.724 4.269 2.584 1.00 0.00 O -ATOM 5660 H1 TIP3A1887 3.635 3.320 2.671 1.00 0.00 H -ATOM 5661 H2 TIP3A1887 4.555 4.473 3.015 1.00 0.00 H -ATOM 5662 O1 TIP3A1888 32.442 15.651 29.164 1.00 0.00 O -ATOM 5663 H1 TIP3A1888 32.957 16.362 29.544 1.00 0.00 H -ATOM 5664 H2 TIP3A1888 32.695 14.876 29.667 1.00 0.00 H -ATOM 5665 O1 TIP3A1889 25.488 0.740 52.996 1.00 0.00 O -ATOM 5666 H1 TIP3A1889 26.010 1.241 52.371 1.00 0.00 H -ATOM 5667 H2 TIP3A1889 24.608 1.110 52.925 1.00 0.00 H -ATOM 5668 O1 TIP3A1890 38.447 27.011 18.178 1.00 0.00 O -ATOM 5669 H1 TIP3A1890 37.944 26.205 18.065 1.00 0.00 H -ATOM 5670 H2 TIP3A1890 39.067 26.812 18.880 1.00 0.00 H -ATOM 5671 O1 TIP3A1891 54.932 23.959 34.809 1.00 0.00 O -ATOM 5672 H1 TIP3A1891 55.276 23.256 35.360 1.00 0.00 H -ATOM 5673 H2 TIP3A1891 55.523 24.697 34.965 1.00 0.00 H -ATOM 5674 O1 TIP3A1892 41.922 48.128 18.298 1.00 0.00 O -ATOM 5675 H1 TIP3A1892 41.418 48.902 18.551 1.00 0.00 H -ATOM 5676 H2 TIP3A1892 41.315 47.609 17.770 1.00 0.00 H -ATOM 5677 O1 TIP3A1893 54.310 1.780 33.536 1.00 0.00 O -ATOM 5678 H1 TIP3A1893 54.295 2.265 32.711 1.00 0.00 H -ATOM 5679 H2 TIP3A1893 55.022 1.149 33.429 1.00 0.00 H -ATOM 5680 O1 TIP3A1894 4.713 48.228 7.224 1.00 0.00 O -ATOM 5681 H1 TIP3A1894 5.127 49.089 7.287 1.00 0.00 H -ATOM 5682 H2 TIP3A1894 5.204 47.776 6.537 1.00 0.00 H -ATOM 5683 O1 TIP3A1895 52.195 24.967 45.312 1.00 0.00 O -ATOM 5684 H1 TIP3A1895 52.539 24.075 45.276 1.00 0.00 H -ATOM 5685 H2 TIP3A1895 51.315 24.871 45.676 1.00 0.00 H -ATOM 5686 O1 TIP3A1896 0.873 39.803 37.814 1.00 0.00 O -ATOM 5687 H1 TIP3A1896 0.782 40.152 36.928 1.00 0.00 H -ATOM 5688 H2 TIP3A1896 -0.000 39.478 38.034 1.00 0.00 H -ATOM 5689 O1 TIP3A1897 53.449 9.039 9.322 1.00 0.00 O -ATOM 5690 H1 TIP3A1897 53.066 9.544 8.605 1.00 0.00 H -ATOM 5691 H2 TIP3A1897 54.145 9.599 9.666 1.00 0.00 H -ATOM 5692 O1 TIP3A1898 52.955 22.075 51.594 1.00 0.00 O -ATOM 5693 H1 TIP3A1898 52.472 21.265 51.752 1.00 0.00 H -ATOM 5694 H2 TIP3A1898 53.783 21.956 52.061 1.00 0.00 H -ATOM 5695 O1 TIP3A1899 57.124 22.983 28.660 1.00 0.00 O -ATOM 5696 H1 TIP3A1899 57.021 23.907 28.882 1.00 0.00 H -ATOM 5697 H2 TIP3A1899 57.971 22.935 28.216 1.00 0.00 H -ATOM 5698 O1 TIP3A1900 12.949 53.120 49.621 1.00 0.00 O -ATOM 5699 H1 TIP3A1900 12.130 53.543 49.366 1.00 0.00 H -ATOM 5700 H2 TIP3A1900 12.679 52.381 50.167 1.00 0.00 H -ATOM 5701 O1 TIP3A1901 33.920 32.212 40.460 1.00 0.00 O -ATOM 5702 H1 TIP3A1901 34.747 32.626 40.705 1.00 0.00 H -ATOM 5703 H2 TIP3A1901 34.170 31.516 39.851 1.00 0.00 H -ATOM 5704 O1 TIP3A1902 45.611 21.513 38.831 1.00 0.00 O -ATOM 5705 H1 TIP3A1902 46.304 20.886 38.628 1.00 0.00 H -ATOM 5706 H2 TIP3A1902 45.720 21.698 39.764 1.00 0.00 H -ATOM 5707 O1 TIP3A1903 44.797 19.589 23.477 1.00 0.00 O -ATOM 5708 H1 TIP3A1903 43.974 20.073 23.419 1.00 0.00 H -ATOM 5709 H2 TIP3A1903 44.542 18.716 23.777 1.00 0.00 H -ATOM 5710 O1 TIP3A1904 19.939 9.369 55.082 1.00 0.00 O -ATOM 5711 H1 TIP3A1904 20.353 8.815 54.421 1.00 0.00 H -ATOM 5712 H2 TIP3A1904 19.026 9.439 54.799 1.00 0.00 H -ATOM 5713 O1 TIP3A1905 56.514 11.991 49.026 1.00 0.00 O -ATOM 5714 H1 TIP3A1905 55.772 11.930 49.626 1.00 0.00 H -ATOM 5715 H2 TIP3A1905 57.275 12.108 49.595 1.00 0.00 H -ATOM 5716 O1 TIP3A1906 56.120 32.053 21.449 1.00 0.00 O -ATOM 5717 H1 TIP3A1906 57.009 32.399 21.527 1.00 0.00 H -ATOM 5718 H2 TIP3A1906 55.613 32.776 21.078 1.00 0.00 H -ATOM 5719 O1 TIP3A1907 0.917 26.317 12.804 1.00 0.00 O -ATOM 5720 H1 TIP3A1907 1.372 27.155 12.726 1.00 0.00 H -ATOM 5721 H2 TIP3A1907 0.229 26.477 13.451 1.00 0.00 H -ATOM 5722 O1 TIP3A1908 6.163 38.439 24.387 1.00 0.00 O -ATOM 5723 H1 TIP3A1908 5.988 39.349 24.152 1.00 0.00 H -ATOM 5724 H2 TIP3A1908 6.968 38.220 23.917 1.00 0.00 H -ATOM 5725 O1 TIP3A1909 21.195 57.456 20.318 1.00 0.00 O -ATOM 5726 H1 TIP3A1909 21.980 58.000 20.364 1.00 0.00 H -ATOM 5727 H2 TIP3A1909 21.083 57.275 19.384 1.00 0.00 H -ATOM 5728 O1 TIP3A1910 51.319 14.570 37.491 1.00 0.00 O -ATOM 5729 H1 TIP3A1910 51.653 14.260 38.332 1.00 0.00 H -ATOM 5730 H2 TIP3A1910 50.477 14.974 37.702 1.00 0.00 H -ATOM 5731 O1 TIP3A1911 36.808 5.168 8.481 1.00 0.00 O -ATOM 5732 H1 TIP3A1911 37.629 5.266 8.962 1.00 0.00 H -ATOM 5733 H2 TIP3A1911 36.664 4.222 8.442 1.00 0.00 H -ATOM 5734 O1 TIP3A1912 25.006 29.404 30.847 1.00 0.00 O -ATOM 5735 H1 TIP3A1912 25.456 29.475 31.689 1.00 0.00 H -ATOM 5736 H2 TIP3A1912 25.624 28.938 30.283 1.00 0.00 H -ATOM 5737 O1 TIP3A1913 38.563 47.978 17.579 1.00 0.00 O -ATOM 5738 H1 TIP3A1913 38.288 48.531 18.310 1.00 0.00 H -ATOM 5739 H2 TIP3A1913 39.093 47.291 17.984 1.00 0.00 H -ATOM 5740 O1 TIP3A1914 3.503 14.534 20.295 1.00 0.00 O -ATOM 5741 H1 TIP3A1914 4.200 14.703 19.662 1.00 0.00 H -ATOM 5742 H2 TIP3A1914 3.866 14.817 21.135 1.00 0.00 H -ATOM 5743 O1 TIP3A1915 18.403 1.251 48.355 1.00 0.00 O -ATOM 5744 H1 TIP3A1915 17.727 0.984 47.733 1.00 0.00 H -ATOM 5745 H2 TIP3A1915 19.204 0.838 48.031 1.00 0.00 H -ATOM 5746 O1 TIP3A1916 33.059 12.118 14.485 1.00 0.00 O -ATOM 5747 H1 TIP3A1916 33.064 11.183 14.687 1.00 0.00 H -ATOM 5748 H2 TIP3A1916 32.166 12.294 14.187 1.00 0.00 H -ATOM 5749 O1 TIP3A1917 46.995 9.598 32.991 1.00 0.00 O -ATOM 5750 H1 TIP3A1917 46.999 10.554 33.031 1.00 0.00 H -ATOM 5751 H2 TIP3A1917 47.786 9.376 32.499 1.00 0.00 H -ATOM 5752 O1 TIP3A1918 11.774 43.547 36.198 1.00 0.00 O -ATOM 5753 H1 TIP3A1918 11.001 43.112 36.555 1.00 0.00 H -ATOM 5754 H2 TIP3A1918 12.372 43.622 36.943 1.00 0.00 H -ATOM 5755 O1 TIP3A1919 17.957 16.512 22.630 1.00 0.00 O -ATOM 5756 H1 TIP3A1919 18.788 16.933 22.413 1.00 0.00 H -ATOM 5757 H2 TIP3A1919 17.529 16.373 21.785 1.00 0.00 H -ATOM 5758 O1 TIP3A1920 17.831 21.005 5.168 1.00 0.00 O -ATOM 5759 H1 TIP3A1920 17.985 20.342 4.495 1.00 0.00 H -ATOM 5760 H2 TIP3A1920 17.343 20.545 5.851 1.00 0.00 H -ATOM 5761 O1 TIP3A1921 25.956 32.359 11.084 1.00 0.00 O -ATOM 5762 H1 TIP3A1921 26.872 32.088 11.048 1.00 0.00 H -ATOM 5763 H2 TIP3A1921 25.833 32.671 11.981 1.00 0.00 H -ATOM 5764 O1 TIP3A1922 23.677 8.835 39.460 1.00 0.00 O -ATOM 5765 H1 TIP3A1922 23.363 9.503 38.851 1.00 0.00 H -ATOM 5766 H2 TIP3A1922 23.073 8.884 40.201 1.00 0.00 H -ATOM 5767 O1 TIP3A1923 46.846 36.159 1.635 1.00 0.00 O -ATOM 5768 H1 TIP3A1923 46.970 36.886 2.244 1.00 0.00 H -ATOM 5769 H2 TIP3A1923 47.200 36.478 0.805 1.00 0.00 H -ATOM 5770 O1 TIP3A1924 34.954 8.712 34.660 1.00 0.00 O -ATOM 5771 H1 TIP3A1924 34.060 8.761 34.998 1.00 0.00 H -ATOM 5772 H2 TIP3A1924 35.027 9.459 34.064 1.00 0.00 H -ATOM 5773 O1 TIP3A1925 23.715 4.452 56.037 1.00 0.00 O -ATOM 5774 H1 TIP3A1925 23.632 4.958 56.845 1.00 0.00 H -ATOM 5775 H2 TIP3A1925 24.659 4.375 55.897 1.00 0.00 H -ATOM 5776 O1 TIP3A1926 56.708 28.289 40.909 1.00 0.00 O -ATOM 5777 H1 TIP3A1926 55.782 28.407 41.119 1.00 0.00 H -ATOM 5778 H2 TIP3A1926 56.801 27.348 40.755 1.00 0.00 H -ATOM 5779 O1 TIP3A1927 41.317 50.412 16.147 1.00 0.00 O -ATOM 5780 H1 TIP3A1927 40.654 50.773 16.736 1.00 0.00 H -ATOM 5781 H2 TIP3A1927 41.203 49.464 16.210 1.00 0.00 H -ATOM 5782 O1 TIP3A1928 39.788 41.074 41.565 1.00 0.00 O -ATOM 5783 H1 TIP3A1928 40.063 40.589 42.342 1.00 0.00 H -ATOM 5784 H2 TIP3A1928 40.499 40.945 40.937 1.00 0.00 H -ATOM 5785 O1 TIP3A1929 17.887 50.616 20.265 1.00 0.00 O -ATOM 5786 H1 TIP3A1929 16.972 50.643 19.988 1.00 0.00 H -ATOM 5787 H2 TIP3A1929 18.335 51.222 19.672 1.00 0.00 H -ATOM 5788 O1 TIP3A1930 47.085 41.407 3.997 1.00 0.00 O -ATOM 5789 H1 TIP3A1930 47.169 41.962 4.772 1.00 0.00 H -ATOM 5790 H2 TIP3A1930 47.947 41.442 3.582 1.00 0.00 H -ATOM 5791 O1 TIP3A1931 47.785 29.582 18.860 1.00 0.00 O -ATOM 5792 H1 TIP3A1931 46.996 29.936 18.449 1.00 0.00 H -ATOM 5793 H2 TIP3A1931 47.461 29.085 19.611 1.00 0.00 H -ATOM 5794 O1 TIP3A1932 17.186 48.142 34.799 1.00 0.00 O -ATOM 5795 H1 TIP3A1932 17.231 49.096 34.754 1.00 0.00 H -ATOM 5796 H2 TIP3A1932 17.830 47.902 35.467 1.00 0.00 H -ATOM 5797 O1 TIP3A1933 30.495 2.586 14.397 1.00 0.00 O -ATOM 5798 H1 TIP3A1933 30.880 1.862 14.890 1.00 0.00 H -ATOM 5799 H2 TIP3A1933 29.690 2.223 14.027 1.00 0.00 H -ATOM 5800 O1 TIP3A1934 56.591 55.061 26.475 1.00 0.00 O -ATOM 5801 H1 TIP3A1934 56.107 55.495 27.177 1.00 0.00 H -ATOM 5802 H2 TIP3A1934 56.131 55.316 25.674 1.00 0.00 H -ATOM 5803 O1 TIP3A1935 32.276 24.020 49.768 1.00 0.00 O -ATOM 5804 H1 TIP3A1935 31.885 24.577 50.440 1.00 0.00 H -ATOM 5805 H2 TIP3A1935 32.810 23.392 50.257 1.00 0.00 H -ATOM 5806 O1 TIP3A1936 9.102 3.164 2.258 1.00 0.00 O -ATOM 5807 H1 TIP3A1936 8.962 3.590 3.103 1.00 0.00 H -ATOM 5808 H2 TIP3A1936 8.342 3.416 1.734 1.00 0.00 H -ATOM 5809 O1 TIP3A1937 10.697 11.307 9.498 1.00 0.00 O -ATOM 5810 H1 TIP3A1937 11.390 11.963 9.551 1.00 0.00 H -ATOM 5811 H2 TIP3A1937 10.032 11.609 10.119 1.00 0.00 H -ATOM 5812 O1 TIP3A1938 30.140 42.079 29.549 1.00 0.00 O -ATOM 5813 H1 TIP3A1938 30.045 43.003 29.776 1.00 0.00 H -ATOM 5814 H2 TIP3A1938 30.936 42.043 29.017 1.00 0.00 H -ATOM 5815 O1 TIP3A1939 13.416 49.586 21.823 1.00 0.00 O -ATOM 5816 H1 TIP3A1939 13.658 48.662 21.783 1.00 0.00 H -ATOM 5817 H2 TIP3A1939 12.814 49.709 21.087 1.00 0.00 H -ATOM 5818 O1 TIP3A1940 55.552 31.679 39.883 1.00 0.00 O -ATOM 5819 H1 TIP3A1940 56.114 31.017 40.283 1.00 0.00 H -ATOM 5820 H2 TIP3A1940 55.202 31.256 39.099 1.00 0.00 H -ATOM 5821 O1 TIP3A1941 39.715 47.242 41.547 1.00 0.00 O -ATOM 5822 H1 TIP3A1941 40.559 47.271 41.097 1.00 0.00 H -ATOM 5823 H2 TIP3A1941 39.098 46.938 40.881 1.00 0.00 H -ATOM 5824 O1 TIP3A1942 52.031 23.633 22.198 1.00 0.00 O -ATOM 5825 H1 TIP3A1942 52.982 23.740 22.181 1.00 0.00 H -ATOM 5826 H2 TIP3A1942 51.857 22.937 21.563 1.00 0.00 H -ATOM 5827 O1 TIP3A1943 45.079 47.959 54.875 1.00 0.00 O -ATOM 5828 H1 TIP3A1943 45.800 48.504 54.562 1.00 0.00 H -ATOM 5829 H2 TIP3A1943 44.488 47.889 54.126 1.00 0.00 H -ATOM 5830 O1 TIP3A1944 53.647 0.731 21.587 1.00 0.00 O -ATOM 5831 H1 TIP3A1944 54.575 0.936 21.694 1.00 0.00 H -ATOM 5832 H2 TIP3A1944 53.634 -0.022 20.996 1.00 0.00 H -ATOM 5833 O1 TIP3A1945 13.748 16.505 -0.001 1.00 0.00 O -ATOM 5834 H1 TIP3A1945 14.425 16.751 0.629 1.00 0.00 H -ATOM 5835 H2 TIP3A1945 12.929 16.561 0.493 1.00 0.00 H -ATOM 5836 O1 TIP3A1946 34.735 8.335 42.447 1.00 0.00 O -ATOM 5837 H1 TIP3A1946 35.198 9.123 42.730 1.00 0.00 H -ATOM 5838 H2 TIP3A1946 34.037 8.222 43.092 1.00 0.00 H -ATOM 5839 O1 TIP3A1947 29.146 49.865 44.832 1.00 0.00 O -ATOM 5840 H1 TIP3A1947 29.161 49.183 44.161 1.00 0.00 H -ATOM 5841 H2 TIP3A1947 30.023 50.249 44.804 1.00 0.00 H -ATOM 5842 O1 TIP3A1948 5.120 21.526 24.311 1.00 0.00 O -ATOM 5843 H1 TIP3A1948 5.514 22.376 24.117 1.00 0.00 H -ATOM 5844 H2 TIP3A1948 5.781 21.070 24.833 1.00 0.00 H -ATOM 5845 O1 TIP3A1949 49.199 48.736 23.360 1.00 0.00 O -ATOM 5846 H1 TIP3A1949 48.691 47.966 23.612 1.00 0.00 H -ATOM 5847 H2 TIP3A1949 49.932 48.753 23.976 1.00 0.00 H -ATOM 5848 O1 TIP3A1950 3.692 8.013 46.812 1.00 0.00 O -ATOM 5849 H1 TIP3A1950 2.736 7.985 46.799 1.00 0.00 H -ATOM 5850 H2 TIP3A1950 3.921 8.677 46.161 1.00 0.00 H -ATOM 5851 O1 TIP3A1951 53.394 20.956 39.858 1.00 0.00 O -ATOM 5852 H1 TIP3A1951 54.223 20.529 39.645 1.00 0.00 H -ATOM 5853 H2 TIP3A1951 52.767 20.585 39.237 1.00 0.00 H -ATOM 5854 O1 TIP3A1952 46.040 26.519 57.433 1.00 0.00 O -ATOM 5855 H1 TIP3A1952 46.857 26.051 57.261 1.00 0.00 H -ATOM 5856 H2 TIP3A1952 46.036 27.236 56.799 1.00 0.00 H -ATOM 5857 O1 TIP3A1953 24.573 53.969 37.981 1.00 0.00 O -ATOM 5858 H1 TIP3A1953 24.910 54.138 37.102 1.00 0.00 H -ATOM 5859 H2 TIP3A1953 24.522 53.014 38.040 1.00 0.00 H -ATOM 5860 O1 TIP3A1954 56.244 5.724 36.717 1.00 0.00 O -ATOM 5861 H1 TIP3A1954 56.105 6.628 36.997 1.00 0.00 H -ATOM 5862 H2 TIP3A1954 55.484 5.249 37.053 1.00 0.00 H -ATOM 5863 O1 TIP3A1955 15.114 27.167 39.445 1.00 0.00 O -ATOM 5864 H1 TIP3A1955 15.458 26.823 40.269 1.00 0.00 H -ATOM 5865 H2 TIP3A1955 14.293 26.692 39.311 1.00 0.00 H -ATOM 5866 O1 TIP3A1956 43.197 10.393 28.251 1.00 0.00 O -ATOM 5867 H1 TIP3A1956 43.465 11.171 28.738 1.00 0.00 H -ATOM 5868 H2 TIP3A1956 43.913 10.237 27.634 1.00 0.00 H -ATOM 5869 O1 TIP3A1957 20.949 39.637 29.459 1.00 0.00 O -ATOM 5870 H1 TIP3A1957 20.661 40.526 29.259 1.00 0.00 H -ATOM 5871 H2 TIP3A1957 21.798 39.750 29.888 1.00 0.00 H -ATOM 5872 O1 TIP3A1958 17.268 17.876 36.920 1.00 0.00 O -ATOM 5873 H1 TIP3A1958 16.835 17.689 36.088 1.00 0.00 H -ATOM 5874 H2 TIP3A1958 16.578 17.782 37.577 1.00 0.00 H -ATOM 5875 O1 TIP3A1959 17.254 24.328 38.662 1.00 0.00 O -ATOM 5876 H1 TIP3A1959 16.811 25.156 38.478 1.00 0.00 H -ATOM 5877 H2 TIP3A1959 17.832 24.524 39.400 1.00 0.00 H -ATOM 5878 O1 TIP3A1960 4.908 9.660 53.207 1.00 0.00 O -ATOM 5879 H1 TIP3A1960 5.474 9.945 53.924 1.00 0.00 H -ATOM 5880 H2 TIP3A1960 4.044 9.562 53.608 1.00 0.00 H -ATOM 5881 O1 TIP3A1961 25.497 34.776 10.594 1.00 0.00 O -ATOM 5882 H1 TIP3A1961 26.165 34.735 11.278 1.00 0.00 H -ATOM 5883 H2 TIP3A1961 25.819 35.440 9.983 1.00 0.00 H -ATOM 5884 O1 TIP3A1962 12.680 28.653 27.451 1.00 0.00 O -ATOM 5885 H1 TIP3A1962 12.158 27.857 27.356 1.00 0.00 H -ATOM 5886 H2 TIP3A1962 12.251 29.291 26.878 1.00 0.00 H -ATOM 5887 O1 TIP3A1963 15.056 51.656 17.178 1.00 0.00 O -ATOM 5888 H1 TIP3A1963 15.065 51.633 16.222 1.00 0.00 H -ATOM 5889 H2 TIP3A1963 14.251 52.125 17.400 1.00 0.00 H -ATOM 5890 O1 TIP3A1964 5.015 4.483 31.324 1.00 0.00 O -ATOM 5891 H1 TIP3A1964 5.583 4.487 32.093 1.00 0.00 H -ATOM 5892 H2 TIP3A1964 5.000 5.394 31.030 1.00 0.00 H -ATOM 5893 O1 TIP3A1965 36.015 26.206 36.541 1.00 0.00 O -ATOM 5894 H1 TIP3A1965 36.002 27.118 36.254 1.00 0.00 H -ATOM 5895 H2 TIP3A1965 36.769 25.823 36.092 1.00 0.00 H -ATOM 5896 O1 TIP3A1966 44.654 38.225 51.690 1.00 0.00 O -ATOM 5897 H1 TIP3A1966 43.849 37.710 51.662 1.00 0.00 H -ATOM 5898 H2 TIP3A1966 45.195 37.789 52.349 1.00 0.00 H -ATOM 5899 O1 TIP3A1967 53.205 44.891 28.656 1.00 0.00 O -ATOM 5900 H1 TIP3A1967 53.818 45.303 29.264 1.00 0.00 H -ATOM 5901 H2 TIP3A1967 53.753 44.581 27.935 1.00 0.00 H -ATOM 5902 O1 TIP3A1968 47.092 22.238 35.998 1.00 0.00 O -ATOM 5903 H1 TIP3A1968 46.355 22.038 36.574 1.00 0.00 H -ATOM 5904 H2 TIP3A1968 47.845 21.820 36.419 1.00 0.00 H -ATOM 5905 O1 TIP3A1969 45.751 55.932 49.566 1.00 0.00 O -ATOM 5906 H1 TIP3A1969 46.350 55.677 48.865 1.00 0.00 H -ATOM 5907 H2 TIP3A1969 45.491 56.827 49.347 1.00 0.00 H -ATOM 5908 O1 TIP3A1970 57.227 7.313 19.454 1.00 0.00 O -ATOM 5909 H1 TIP3A1970 56.576 6.949 18.855 1.00 0.00 H -ATOM 5910 H2 TIP3A1970 57.832 7.794 18.889 1.00 0.00 H -ATOM 5911 O1 TIP3A1971 10.541 43.047 2.489 1.00 0.00 O -ATOM 5912 H1 TIP3A1971 10.583 42.426 3.215 1.00 0.00 H -ATOM 5913 H2 TIP3A1971 9.896 42.672 1.889 1.00 0.00 H -ATOM 5914 O1 TIP3A1972 24.203 53.673 22.075 1.00 0.00 O -ATOM 5915 H1 TIP3A1972 24.323 53.421 21.160 1.00 0.00 H -ATOM 5916 H2 TIP3A1972 24.936 53.264 22.535 1.00 0.00 H -ATOM 5917 O1 TIP3A1973 32.443 45.300 4.942 1.00 0.00 O -ATOM 5918 H1 TIP3A1973 32.577 46.246 4.963 1.00 0.00 H -ATOM 5919 H2 TIP3A1973 31.741 45.143 5.574 1.00 0.00 H -ATOM 5920 O1 TIP3A1974 10.083 56.509 53.033 1.00 0.00 O -ATOM 5921 H1 TIP3A1974 10.217 55.795 53.655 1.00 0.00 H -ATOM 5922 H2 TIP3A1974 9.631 57.186 53.538 1.00 0.00 H -ATOM 5923 O1 TIP3A1975 7.527 49.027 32.703 1.00 0.00 O -ATOM 5924 H1 TIP3A1975 7.690 49.541 33.494 1.00 0.00 H -ATOM 5925 H2 TIP3A1975 8.275 48.431 32.646 1.00 0.00 H -ATOM 5926 O1 TIP3A1976 7.396 28.396 52.202 1.00 0.00 O -ATOM 5927 H1 TIP3A1976 6.950 27.636 51.829 1.00 0.00 H -ATOM 5928 H2 TIP3A1976 7.012 29.147 51.749 1.00 0.00 H -ATOM 5929 O1 TIP3A1977 41.508 34.784 25.112 1.00 0.00 O -ATOM 5930 H1 TIP3A1977 41.224 33.884 25.267 1.00 0.00 H -ATOM 5931 H2 TIP3A1977 42.315 34.872 25.620 1.00 0.00 H -ATOM 5932 O1 TIP3A1978 0.091 23.581 57.227 1.00 0.00 O -ATOM 5933 H1 TIP3A1978 0.529 22.731 57.181 1.00 0.00 H -ATOM 5934 H2 TIP3A1978 -0.000 23.853 56.313 1.00 0.00 H -ATOM 5935 O1 TIP3A1979 47.700 33.895 18.950 1.00 0.00 O -ATOM 5936 H1 TIP3A1979 47.130 34.180 19.663 1.00 0.00 H -ATOM 5937 H2 TIP3A1979 48.539 33.710 19.372 1.00 0.00 H -ATOM 5938 O1 TIP3A1980 13.964 41.768 36.895 1.00 0.00 O -ATOM 5939 H1 TIP3A1980 14.774 41.304 36.684 1.00 0.00 H -ATOM 5940 H2 TIP3A1980 13.307 41.377 36.319 1.00 0.00 H -ATOM 5941 O1 TIP3A1981 51.188 15.413 29.532 1.00 0.00 O -ATOM 5942 H1 TIP3A1981 51.478 15.910 28.768 1.00 0.00 H -ATOM 5943 H2 TIP3A1981 51.919 14.825 29.728 1.00 0.00 H -ATOM 5944 O1 TIP3A1982 43.311 45.639 34.743 1.00 0.00 O -ATOM 5945 H1 TIP3A1982 42.358 45.554 34.772 1.00 0.00 H -ATOM 5946 H2 TIP3A1982 43.599 45.409 35.626 1.00 0.00 H -ATOM 5947 O1 TIP3A1983 30.455 36.683 25.952 1.00 0.00 O -ATOM 5948 H1 TIP3A1983 29.571 36.470 25.655 1.00 0.00 H -ATOM 5949 H2 TIP3A1983 30.345 36.942 26.867 1.00 0.00 H -ATOM 5950 O1 TIP3A1984 2.303 3.146 47.911 1.00 0.00 O -ATOM 5951 H1 TIP3A1984 2.145 3.638 48.716 1.00 0.00 H -ATOM 5952 H2 TIP3A1984 3.177 2.772 48.026 1.00 0.00 H -ATOM 5953 O1 TIP3A1985 35.017 41.252 31.742 1.00 0.00 O -ATOM 5954 H1 TIP3A1985 34.102 40.988 31.835 1.00 0.00 H -ATOM 5955 H2 TIP3A1985 35.409 41.064 32.596 1.00 0.00 H -ATOM 5956 O1 TIP3A1986 56.595 52.210 0.430 1.00 0.00 O -ATOM 5957 H1 TIP3A1986 55.774 52.479 0.020 1.00 0.00 H -ATOM 5958 H2 TIP3A1986 56.831 51.396 -0.016 1.00 0.00 H -ATOM 5959 O1 TIP3A1987 37.460 24.361 14.766 1.00 0.00 O -ATOM 5960 H1 TIP3A1987 36.796 23.718 14.521 1.00 0.00 H -ATOM 5961 H2 TIP3A1987 37.163 24.703 15.610 1.00 0.00 H -ATOM 5962 O1 TIP3A1988 8.240 39.864 27.207 1.00 0.00 O -ATOM 5963 H1 TIP3A1988 8.939 39.221 27.097 1.00 0.00 H -ATOM 5964 H2 TIP3A1988 8.697 40.689 27.373 1.00 0.00 H -ATOM 5965 O1 TIP3A1989 14.198 38.215 14.214 1.00 0.00 O -ATOM 5966 H1 TIP3A1989 13.418 38.764 14.279 1.00 0.00 H -ATOM 5967 H2 TIP3A1989 14.195 37.899 13.310 1.00 0.00 H -ATOM 5968 O1 TIP3A1990 6.607 37.247 13.243 1.00 0.00 O -ATOM 5969 H1 TIP3A1990 6.598 37.126 14.192 1.00 0.00 H -ATOM 5970 H2 TIP3A1990 6.223 38.114 13.107 1.00 0.00 H -ATOM 5971 O1 TIP3A1991 1.156 40.947 16.604 1.00 0.00 O -ATOM 5972 H1 TIP3A1991 1.856 40.387 16.270 1.00 0.00 H -ATOM 5973 H2 TIP3A1991 0.800 41.376 15.825 1.00 0.00 H -ATOM 5974 O1 TIP3A1992 41.599 33.539 39.461 1.00 0.00 O -ATOM 5975 H1 TIP3A1992 41.739 34.433 39.151 1.00 0.00 H -ATOM 5976 H2 TIP3A1992 42.267 33.411 40.135 1.00 0.00 H -ATOM 5977 O1 TIP3A1993 26.339 29.657 15.472 1.00 0.00 O -ATOM 5978 H1 TIP3A1993 26.218 29.707 16.419 1.00 0.00 H -ATOM 5979 H2 TIP3A1993 27.080 30.237 15.293 1.00 0.00 H -ATOM 5980 O1 TIP3A1994 0.068 29.385 17.492 1.00 0.00 O -ATOM 5981 H1 TIP3A1994 0.794 29.954 17.241 1.00 0.00 H -ATOM 5982 H2 TIP3A1994 0.384 28.499 17.313 1.00 0.00 H -ATOM 5983 O1 TIP3A1995 22.153 22.023 6.627 1.00 0.00 O -ATOM 5984 H1 TIP3A1995 21.852 21.116 6.680 1.00 0.00 H -ATOM 5985 H2 TIP3A1995 21.700 22.382 5.863 1.00 0.00 H -ATOM 5986 O1 TIP3A1996 52.515 32.478 54.754 1.00 0.00 O -ATOM 5987 H1 TIP3A1996 51.579 32.282 54.758 1.00 0.00 H -ATOM 5988 H2 TIP3A1996 52.939 31.623 54.835 1.00 0.00 H -ATOM 5989 O1 TIP3A1997 28.904 41.530 49.616 1.00 0.00 O -ATOM 5990 H1 TIP3A1997 28.693 42.458 49.712 1.00 0.00 H -ATOM 5991 H2 TIP3A1997 29.168 41.437 48.700 1.00 0.00 H -ATOM 5992 O1 TIP3A1998 35.815 22.633 31.210 1.00 0.00 O -ATOM 5993 H1 TIP3A1998 36.568 22.941 31.713 1.00 0.00 H -ATOM 5994 H2 TIP3A1998 35.769 21.695 31.395 1.00 0.00 H -ATOM 5995 O1 TIP3A1999 36.104 54.827 54.588 1.00 0.00 O -ATOM 5996 H1 TIP3A1999 36.111 55.770 54.429 1.00 0.00 H -ATOM 5997 H2 TIP3A1999 35.189 54.570 54.472 1.00 0.00 H -ATOM 5998 O1 TIP3A2000 32.526 21.160 25.150 1.00 0.00 O -ATOM 5999 H1 TIP3A2000 32.866 21.624 25.914 1.00 0.00 H -ATOM 6000 H2 TIP3A2000 31.597 21.028 25.342 1.00 0.00 H -ATOM 6001 O1 TIP3A2001 55.486 35.096 52.326 1.00 0.00 O -ATOM 6002 H1 TIP3A2001 55.477 35.242 51.381 1.00 0.00 H -ATOM 6003 H2 TIP3A2001 54.566 34.965 52.558 1.00 0.00 H -ATOM 6004 O1 TIP3A2002 18.867 43.060 55.067 1.00 0.00 O -ATOM 6005 H1 TIP3A2002 18.017 42.849 55.452 1.00 0.00 H -ATOM 6006 H2 TIP3A2002 18.908 42.531 54.270 1.00 0.00 H -ATOM 6007 O1 TIP3A2003 29.631 10.368 50.305 1.00 0.00 O -ATOM 6008 H1 TIP3A2003 28.762 10.344 50.703 1.00 0.00 H -ATOM 6009 H2 TIP3A2003 29.808 11.299 50.170 1.00 0.00 H -ATOM 6010 O1 TIP3A2004 56.515 16.614 35.470 1.00 0.00 O -ATOM 6011 H1 TIP3A2004 56.459 16.454 34.529 1.00 0.00 H -ATOM 6012 H2 TIP3A2004 55.974 15.929 35.863 1.00 0.00 H -ATOM 6013 O1 TIP3A2005 57.548 54.303 15.772 1.00 0.00 O -ATOM 6014 H1 TIP3A2005 57.088 53.719 16.374 1.00 0.00 H -ATOM 6015 H2 TIP3A2005 57.339 55.183 16.086 1.00 0.00 H -ATOM 6016 O1 TIP3A2006 28.524 46.870 35.739 1.00 0.00 O -ATOM 6017 H1 TIP3A2006 28.051 46.532 34.980 1.00 0.00 H -ATOM 6018 H2 TIP3A2006 27.862 47.342 36.245 1.00 0.00 H -ATOM 6019 O1 TIP3A2007 17.511 18.470 33.117 1.00 0.00 O -ATOM 6020 H1 TIP3A2007 16.972 17.936 32.535 1.00 0.00 H -ATOM 6021 H2 TIP3A2007 17.465 18.024 33.964 1.00 0.00 H -ATOM 6022 O1 TIP3A2008 38.706 44.416 18.904 1.00 0.00 O -ATOM 6023 H1 TIP3A2008 38.826 43.880 19.688 1.00 0.00 H -ATOM 6024 H2 TIP3A2008 38.975 43.849 18.181 1.00 0.00 H -ATOM 6025 O1 TIP3A2009 45.809 56.709 54.974 1.00 0.00 O -ATOM 6026 H1 TIP3A2009 46.292 57.534 54.984 1.00 0.00 H -ATOM 6027 H2 TIP3A2009 45.126 56.822 55.636 1.00 0.00 H -ATOM 6028 O1 TIP3A2010 46.613 2.628 12.207 1.00 0.00 O -ATOM 6029 H1 TIP3A2010 45.979 3.343 12.159 1.00 0.00 H -ATOM 6030 H2 TIP3A2010 46.095 1.837 12.053 1.00 0.00 H -ATOM 6031 O1 TIP3A2011 55.049 2.850 8.872 1.00 0.00 O -ATOM 6032 H1 TIP3A2011 55.056 1.897 8.792 1.00 0.00 H -ATOM 6033 H2 TIP3A2011 55.646 3.034 9.598 1.00 0.00 H -ATOM 6034 O1 TIP3A2012 24.286 54.160 31.909 1.00 0.00 O -ATOM 6035 H1 TIP3A2012 23.585 53.599 32.238 1.00 0.00 H -ATOM 6036 H2 TIP3A2012 24.201 54.970 32.413 1.00 0.00 H -ATOM 6037 O1 TIP3A2013 35.009 53.265 24.920 1.00 0.00 O -ATOM 6038 H1 TIP3A2013 35.835 52.785 24.976 1.00 0.00 H -ATOM 6039 H2 TIP3A2013 35.257 54.183 25.036 1.00 0.00 H -ATOM 6040 O1 TIP3A2014 22.682 44.992 13.906 1.00 0.00 O -ATOM 6041 H1 TIP3A2014 23.526 45.310 14.227 1.00 0.00 H -ATOM 6042 H2 TIP3A2014 22.449 45.599 13.203 1.00 0.00 H -ATOM 6043 O1 TIP3A2015 29.199 7.676 41.855 1.00 0.00 O -ATOM 6044 H1 TIP3A2015 29.141 6.722 41.810 1.00 0.00 H -ATOM 6045 H2 TIP3A2015 28.669 7.984 41.119 1.00 0.00 H -ATOM 6046 O1 TIP3A2016 28.078 55.533 0.343 1.00 0.00 O -ATOM 6047 H1 TIP3A2016 27.815 55.711 1.245 1.00 0.00 H -ATOM 6048 H2 TIP3A2016 28.892 55.035 0.424 1.00 0.00 H -ATOM 6049 O1 TIP3A2017 44.181 26.501 6.993 1.00 0.00 O -ATOM 6050 H1 TIP3A2017 45.011 26.975 6.965 1.00 0.00 H -ATOM 6051 H2 TIP3A2017 44.383 25.691 7.462 1.00 0.00 H -ATOM 6052 O1 TIP3A2018 37.914 31.967 17.302 1.00 0.00 O -ATOM 6053 H1 TIP3A2018 38.003 32.582 16.575 1.00 0.00 H -ATOM 6054 H2 TIP3A2018 38.633 31.346 17.181 1.00 0.00 H -ATOM 6055 O1 TIP3A2019 8.381 53.787 27.804 1.00 0.00 O -ATOM 6056 H1 TIP3A2019 9.085 53.225 27.483 1.00 0.00 H -ATOM 6057 H2 TIP3A2019 7.718 53.759 27.113 1.00 0.00 H -ATOM 6058 O1 TIP3A2020 15.784 10.577 4.948 1.00 0.00 O -ATOM 6059 H1 TIP3A2020 14.918 10.252 4.704 1.00 0.00 H -ATOM 6060 H2 TIP3A2020 16.178 9.860 5.445 1.00 0.00 H -ATOM 6061 O1 TIP3A2021 22.986 18.978 3.891 1.00 0.00 O -ATOM 6062 H1 TIP3A2021 23.489 19.286 4.644 1.00 0.00 H -ATOM 6063 H2 TIP3A2021 23.647 18.667 3.272 1.00 0.00 H -ATOM 6064 O1 TIP3A2022 26.727 7.763 31.339 1.00 0.00 O -ATOM 6065 H1 TIP3A2022 25.782 7.906 31.375 1.00 0.00 H -ATOM 6066 H2 TIP3A2022 26.891 7.075 31.985 1.00 0.00 H -ATOM 6067 O1 TIP3A2023 43.406 49.758 25.831 1.00 0.00 O -ATOM 6068 H1 TIP3A2023 43.107 49.337 26.636 1.00 0.00 H -ATOM 6069 H2 TIP3A2023 42.601 50.013 25.380 1.00 0.00 H -ATOM 6070 O1 TIP3A2024 7.117 22.760 4.595 1.00 0.00 O -ATOM 6071 H1 TIP3A2024 7.005 23.656 4.909 1.00 0.00 H -ATOM 6072 H2 TIP3A2024 6.615 22.726 3.780 1.00 0.00 H -ATOM 6073 O1 TIP3A2025 51.592 2.056 46.902 1.00 0.00 O -ATOM 6074 H1 TIP3A2025 52.197 2.218 47.625 1.00 0.00 H -ATOM 6075 H2 TIP3A2025 51.598 1.104 46.793 1.00 0.00 H -ATOM 6076 O1 TIP3A2026 46.687 -0.001 42.274 1.00 0.00 O -ATOM 6077 H1 TIP3A2026 47.108 0.851 42.164 1.00 0.00 H -ATOM 6078 H2 TIP3A2026 45.819 0.204 42.625 1.00 0.00 H -ATOM 6079 O1 TIP3A2027 52.855 15.761 15.023 1.00 0.00 O -ATOM 6080 H1 TIP3A2027 52.434 14.911 14.893 1.00 0.00 H -ATOM 6081 H2 TIP3A2027 53.744 15.547 15.309 1.00 0.00 H -ATOM 6082 O1 TIP3A2028 3.380 19.824 39.546 1.00 0.00 O -ATOM 6083 H1 TIP3A2028 4.156 20.260 39.196 1.00 0.00 H -ATOM 6084 H2 TIP3A2028 3.073 20.403 40.244 1.00 0.00 H -ATOM 6085 O1 TIP3A2029 6.519 54.599 16.068 1.00 0.00 O -ATOM 6086 H1 TIP3A2029 6.745 55.525 16.145 1.00 0.00 H -ATOM 6087 H2 TIP3A2029 5.676 54.594 15.614 1.00 0.00 H -ATOM 6088 O1 TIP3A2030 10.186 53.314 18.274 1.00 0.00 O -ATOM 6089 H1 TIP3A2030 9.527 53.837 17.819 1.00 0.00 H -ATOM 6090 H2 TIP3A2030 10.948 53.330 17.695 1.00 0.00 H -ATOM 6091 O1 TIP3A2031 40.019 8.817 23.087 1.00 0.00 O -ATOM 6092 H1 TIP3A2031 39.591 9.666 23.195 1.00 0.00 H -ATOM 6093 H2 TIP3A2031 39.760 8.528 22.211 1.00 0.00 H -ATOM 6094 O1 TIP3A2032 32.687 47.478 31.830 1.00 0.00 O -ATOM 6095 H1 TIP3A2032 32.399 48.349 31.559 1.00 0.00 H -ATOM 6096 H2 TIP3A2032 32.065 46.880 31.415 1.00 0.00 H -ATOM 6097 O1 TIP3A2033 23.574 21.906 55.030 1.00 0.00 O -ATOM 6098 H1 TIP3A2033 23.924 21.016 55.029 1.00 0.00 H -ATOM 6099 H2 TIP3A2033 23.131 21.989 55.875 1.00 0.00 H -ATOM 6100 O1 TIP3A2034 54.291 28.887 43.819 1.00 0.00 O -ATOM 6101 H1 TIP3A2034 54.059 28.515 44.669 1.00 0.00 H -ATOM 6102 H2 TIP3A2034 55.212 28.654 43.698 1.00 0.00 H -ATOM 6103 O1 TIP3A2035 15.100 49.434 27.896 1.00 0.00 O -ATOM 6104 H1 TIP3A2035 14.761 49.341 28.785 1.00 0.00 H -ATOM 6105 H2 TIP3A2035 14.526 50.083 27.487 1.00 0.00 H -ATOM 6106 O1 TIP3A2036 14.734 44.768 17.336 1.00 0.00 O -ATOM 6107 H1 TIP3A2036 13.945 45.081 16.894 1.00 0.00 H -ATOM 6108 H2 TIP3A2036 14.721 43.819 17.206 1.00 0.00 H -ATOM 6109 O1 TIP3A2037 1.421 40.166 8.986 1.00 0.00 O -ATOM 6110 H1 TIP3A2037 1.748 39.760 9.788 1.00 0.00 H -ATOM 6111 H2 TIP3A2037 1.623 41.097 9.088 1.00 0.00 H -ATOM 6112 O1 TIP3A2038 50.647 23.943 17.828 1.00 0.00 O -ATOM 6113 H1 TIP3A2038 50.422 24.513 18.562 1.00 0.00 H -ATOM 6114 H2 TIP3A2038 49.843 23.455 17.648 1.00 0.00 H -ATOM 6115 O1 TIP3A2039 19.997 54.585 40.596 1.00 0.00 O -ATOM 6116 H1 TIP3A2039 20.773 54.043 40.457 1.00 0.00 H -ATOM 6117 H2 TIP3A2039 19.462 54.085 41.213 1.00 0.00 H -ATOM 6118 O1 TIP3A2040 50.846 48.844 35.145 1.00 0.00 O -ATOM 6119 H1 TIP3A2040 50.661 49.509 34.482 1.00 0.00 H -ATOM 6120 H2 TIP3A2040 51.709 49.080 35.487 1.00 0.00 H -ATOM 6121 O1 TIP3A2041 1.031 7.808 2.748 1.00 0.00 O -ATOM 6122 H1 TIP3A2041 0.915 7.400 1.891 1.00 0.00 H -ATOM 6123 H2 TIP3A2041 0.177 8.193 2.950 1.00 0.00 H -ATOM 6124 O1 TIP3A2042 23.067 4.063 6.158 1.00 0.00 O -ATOM 6125 H1 TIP3A2042 22.770 4.454 6.979 1.00 0.00 H -ATOM 6126 H2 TIP3A2042 23.820 4.595 5.897 1.00 0.00 H -ATOM 6127 O1 TIP3A2043 30.633 25.139 39.920 1.00 0.00 O -ATOM 6128 H1 TIP3A2043 30.295 25.805 39.322 1.00 0.00 H -ATOM 6129 H2 TIP3A2043 31.334 24.709 39.429 1.00 0.00 H -ATOM 6130 O1 TIP3A2044 16.617 49.951 23.052 1.00 0.00 O -ATOM 6131 H1 TIP3A2044 15.872 49.657 22.530 1.00 0.00 H -ATOM 6132 H2 TIP3A2044 16.349 50.804 23.395 1.00 0.00 H -ATOM 6133 O1 TIP3A2045 27.561 34.571 13.070 1.00 0.00 O -ATOM 6134 H1 TIP3A2045 27.927 34.544 13.953 1.00 0.00 H -ATOM 6135 H2 TIP3A2045 28.312 34.422 12.494 1.00 0.00 H -ATOM 6136 O1 TIP3A2046 29.229 52.025 2.550 1.00 0.00 O -ATOM 6137 H1 TIP3A2046 29.432 51.325 3.169 1.00 0.00 H -ATOM 6138 H2 TIP3A2046 28.481 52.480 2.939 1.00 0.00 H -ATOM 6139 O1 TIP3A2047 54.201 24.565 12.538 1.00 0.00 O -ATOM 6140 H1 TIP3A2047 55.036 24.110 12.433 1.00 0.00 H -ATOM 6141 H2 TIP3A2047 54.323 25.398 12.082 1.00 0.00 H -ATOM 6142 O1 TIP3A2048 3.256 8.779 41.654 1.00 0.00 O -ATOM 6143 H1 TIP3A2048 2.535 8.402 42.156 1.00 0.00 H -ATOM 6144 H2 TIP3A2048 3.416 9.630 42.064 1.00 0.00 H -ATOM 6145 O1 TIP3A2049 19.565 30.784 8.622 1.00 0.00 O -ATOM 6146 H1 TIP3A2049 18.963 30.831 7.881 1.00 0.00 H -ATOM 6147 H2 TIP3A2049 20.264 31.402 8.404 1.00 0.00 H -ATOM 6148 O1 TIP3A2050 44.262 20.043 53.249 1.00 0.00 O -ATOM 6149 H1 TIP3A2050 44.655 20.707 53.814 1.00 0.00 H -ATOM 6150 H2 TIP3A2050 44.973 19.426 53.073 1.00 0.00 H -ATOM 6151 O1 TIP3A2051 30.127 38.054 8.929 1.00 0.00 O -ATOM 6152 H1 TIP3A2051 30.332 38.987 8.984 1.00 0.00 H -ATOM 6153 H2 TIP3A2051 29.563 37.977 8.159 1.00 0.00 H -ATOM 6154 O1 TIP3A2052 41.925 7.888 23.701 1.00 0.00 O -ATOM 6155 H1 TIP3A2052 42.190 8.787 23.512 1.00 0.00 H -ATOM 6156 H2 TIP3A2052 42.729 7.376 23.608 1.00 0.00 H -ATOM 6157 O1 TIP3A2053 46.041 38.071 26.056 1.00 0.00 O -ATOM 6158 H1 TIP3A2053 46.909 38.441 26.217 1.00 0.00 H -ATOM 6159 H2 TIP3A2053 45.667 37.951 26.929 1.00 0.00 H -ATOM 6160 O1 TIP3A2054 4.659 11.655 50.112 1.00 0.00 O -ATOM 6161 H1 TIP3A2054 5.198 11.407 49.362 1.00 0.00 H -ATOM 6162 H2 TIP3A2054 3.807 11.254 49.939 1.00 0.00 H -ATOM 6163 O1 TIP3A2055 28.302 52.569 9.862 1.00 0.00 O -ATOM 6164 H1 TIP3A2055 27.634 51.884 9.862 1.00 0.00 H -ATOM 6165 H2 TIP3A2055 27.926 53.271 9.330 1.00 0.00 H -ATOM 6166 O1 TIP3A2056 40.834 6.728 0.020 1.00 0.00 O -ATOM 6167 H1 TIP3A2056 40.644 7.651 0.187 1.00 0.00 H -ATOM 6168 H2 TIP3A2056 39.974 6.309 -0.020 1.00 0.00 H -ATOM 6169 O1 TIP3A2057 27.050 4.627 10.245 1.00 0.00 O -ATOM 6170 H1 TIP3A2057 26.138 4.906 10.319 1.00 0.00 H -ATOM 6171 H2 TIP3A2057 27.433 4.826 11.100 1.00 0.00 H -ATOM 6172 O1 TIP3A2058 1.972 15.543 22.259 1.00 0.00 O -ATOM 6173 H1 TIP3A2058 1.101 15.175 22.112 1.00 0.00 H -ATOM 6174 H2 TIP3A2058 1.806 16.439 22.555 1.00 0.00 H -ATOM 6175 O1 TIP3A2059 25.263 13.566 54.971 1.00 0.00 O -ATOM 6176 H1 TIP3A2059 24.631 13.996 55.546 1.00 0.00 H -ATOM 6177 H2 TIP3A2059 25.973 13.296 55.554 1.00 0.00 H -ATOM 6178 O1 TIP3A2060 20.051 36.618 52.418 1.00 0.00 O -ATOM 6179 H1 TIP3A2060 20.256 37.494 52.743 1.00 0.00 H -ATOM 6180 H2 TIP3A2060 19.352 36.306 52.994 1.00 0.00 H -ATOM 6181 O1 TIP3A2061 44.012 0.216 24.859 1.00 0.00 O -ATOM 6182 H1 TIP3A2061 43.572 -0.002 25.680 1.00 0.00 H -ATOM 6183 H2 TIP3A2061 44.035 1.173 24.846 1.00 0.00 H -ATOM 6184 O1 TIP3A2062 55.083 35.284 21.541 1.00 0.00 O -ATOM 6185 H1 TIP3A2062 54.532 36.059 21.438 1.00 0.00 H -ATOM 6186 H2 TIP3A2062 54.827 34.917 22.388 1.00 0.00 H -ATOM 6187 O1 TIP3A2063 55.113 52.050 50.181 1.00 0.00 O -ATOM 6188 H1 TIP3A2063 55.442 52.470 50.975 1.00 0.00 H -ATOM 6189 H2 TIP3A2063 54.163 52.027 50.296 1.00 0.00 H -ATOM 6190 O1 TIP3A2064 10.805 4.953 46.321 1.00 0.00 O -ATOM 6191 H1 TIP3A2064 10.816 4.315 47.034 1.00 0.00 H -ATOM 6192 H2 TIP3A2064 11.627 4.804 45.853 1.00 0.00 H -ATOM 6193 O1 TIP3A2065 8.031 42.016 21.766 1.00 0.00 O -ATOM 6194 H1 TIP3A2065 7.179 41.799 22.144 1.00 0.00 H -ATOM 6195 H2 TIP3A2065 8.361 41.185 21.424 1.00 0.00 H -ATOM 6196 O1 TIP3A2066 31.448 39.821 16.596 1.00 0.00 O -ATOM 6197 H1 TIP3A2066 32.163 40.359 16.933 1.00 0.00 H -ATOM 6198 H2 TIP3A2066 30.656 40.219 16.958 1.00 0.00 H -ATOM 6199 O1 TIP3A2067 46.578 21.482 51.856 1.00 0.00 O -ATOM 6200 H1 TIP3A2067 46.779 20.723 52.402 1.00 0.00 H -ATOM 6201 H2 TIP3A2067 46.501 22.210 52.474 1.00 0.00 H -ATOM 6202 O1 TIP3A2068 47.356 43.417 41.824 1.00 0.00 O -ATOM 6203 H1 TIP3A2068 47.172 43.061 40.955 1.00 0.00 H -ATOM 6204 H2 TIP3A2068 46.888 42.837 42.425 1.00 0.00 H -ATOM 6205 O1 TIP3A2069 36.020 43.818 33.346 1.00 0.00 O -ATOM 6206 H1 TIP3A2069 35.125 43.481 33.371 1.00 0.00 H -ATOM 6207 H2 TIP3A2069 36.564 43.078 33.614 1.00 0.00 H -ATOM 6208 O1 TIP3A2070 46.308 45.182 14.515 1.00 0.00 O -ATOM 6209 H1 TIP3A2070 45.796 45.990 14.545 1.00 0.00 H -ATOM 6210 H2 TIP3A2070 47.217 45.476 14.449 1.00 0.00 H -ATOM 6211 O1 TIP3A2071 42.616 51.072 4.128 1.00 0.00 O -ATOM 6212 H1 TIP3A2071 42.019 50.326 4.183 1.00 0.00 H -ATOM 6213 H2 TIP3A2071 43.047 51.098 4.982 1.00 0.00 H -ATOM 6214 O1 TIP3A2072 25.813 6.866 54.938 1.00 0.00 O -ATOM 6215 H1 TIP3A2072 26.174 6.024 55.212 1.00 0.00 H -ATOM 6216 H2 TIP3A2072 25.060 7.004 55.514 1.00 0.00 H -ATOM 6217 O1 TIP3A2073 57.604 28.045 48.210 1.00 0.00 O -ATOM 6218 H1 TIP3A2073 56.910 27.389 48.158 1.00 0.00 H -ATOM 6219 H2 TIP3A2073 57.473 28.595 47.437 1.00 0.00 H -ATOM 6220 O1 TIP3A2074 14.900 7.936 5.145 1.00 0.00 O -ATOM 6221 H1 TIP3A2074 13.986 7.653 5.143 1.00 0.00 H -ATOM 6222 H2 TIP3A2074 15.322 7.379 5.800 1.00 0.00 H -ATOM 6223 O1 TIP3A2075 7.659 18.105 38.474 1.00 0.00 O -ATOM 6224 H1 TIP3A2075 8.201 18.656 39.037 1.00 0.00 H -ATOM 6225 H2 TIP3A2075 8.182 17.315 38.334 1.00 0.00 H -ATOM 6226 O1 TIP3A2076 42.310 48.129 32.532 1.00 0.00 O -ATOM 6227 H1 TIP3A2076 43.194 47.764 32.502 1.00 0.00 H -ATOM 6228 H2 TIP3A2076 41.811 47.601 31.909 1.00 0.00 H -ATOM 6229 O1 TIP3A2077 49.349 39.996 56.353 1.00 0.00 O -ATOM 6230 H1 TIP3A2077 50.294 40.012 56.208 1.00 0.00 H -ATOM 6231 H2 TIP3A2077 49.021 40.768 55.890 1.00 0.00 H -ATOM 6232 O1 TIP3A2078 35.927 46.484 21.710 1.00 0.00 O -ATOM 6233 H1 TIP3A2078 36.088 45.563 21.909 1.00 0.00 H -ATOM 6234 H2 TIP3A2078 36.700 46.941 22.044 1.00 0.00 H -ATOM 6235 O1 TIP3A2079 39.591 10.009 44.805 1.00 0.00 O -ATOM 6236 H1 TIP3A2079 39.090 9.834 45.601 1.00 0.00 H -ATOM 6237 H2 TIP3A2079 40.313 10.569 45.094 1.00 0.00 H -ATOM 6238 O1 TIP3A2080 23.808 18.228 36.935 1.00 0.00 O -ATOM 6239 H1 TIP3A2080 24.241 19.080 36.909 1.00 0.00 H -ATOM 6240 H2 TIP3A2080 24.339 17.671 36.365 1.00 0.00 H -ATOM 6241 O1 TIP3A2081 6.144 47.651 54.790 1.00 0.00 O -ATOM 6242 H1 TIP3A2081 5.823 47.009 54.158 1.00 0.00 H -ATOM 6243 H2 TIP3A2081 7.017 47.886 54.472 1.00 0.00 H -ATOM 6244 O1 TIP3A2082 44.838 56.058 32.874 1.00 0.00 O -ATOM 6245 H1 TIP3A2082 45.773 56.261 32.883 1.00 0.00 H -ATOM 6246 H2 TIP3A2082 44.745 55.383 32.201 1.00 0.00 H -ATOM 6247 O1 TIP3A2083 43.833 42.929 37.848 1.00 0.00 O -ATOM 6248 H1 TIP3A2083 44.590 42.698 37.312 1.00 0.00 H -ATOM 6249 H2 TIP3A2083 43.334 42.115 37.924 1.00 0.00 H -ATOM 6250 O1 TIP3A2084 6.050 16.533 34.478 1.00 0.00 O -ATOM 6251 H1 TIP3A2084 6.049 16.585 33.523 1.00 0.00 H -ATOM 6252 H2 TIP3A2084 5.500 15.775 34.678 1.00 0.00 H -ATOM 6253 O1 TIP3A2085 14.765 14.650 42.333 1.00 0.00 O -ATOM 6254 H1 TIP3A2085 13.864 14.549 42.027 1.00 0.00 H -ATOM 6255 H2 TIP3A2085 15.266 14.855 41.542 1.00 0.00 H -ATOM 6256 O1 TIP3A2086 36.149 13.492 19.431 1.00 0.00 O -ATOM 6257 H1 TIP3A2086 36.148 14.372 19.805 1.00 0.00 H -ATOM 6258 H2 TIP3A2086 36.889 13.052 19.851 1.00 0.00 H -ATOM 6259 O1 TIP3A2087 19.141 31.949 57.227 1.00 0.00 O -ATOM 6260 H1 TIP3A2087 18.344 31.968 56.700 1.00 0.00 H -ATOM 6261 H2 TIP3A2087 18.933 32.479 57.997 1.00 0.00 H -ATOM 6262 O1 TIP3A2088 5.602 53.646 46.635 1.00 0.00 O -ATOM 6263 H1 TIP3A2088 5.336 52.748 46.828 1.00 0.00 H -ATOM 6264 H2 TIP3A2088 6.556 53.637 46.720 1.00 0.00 H -ATOM 6265 O1 TIP3A2089 16.128 10.776 26.334 1.00 0.00 O -ATOM 6266 H1 TIP3A2089 15.714 10.687 25.476 1.00 0.00 H -ATOM 6267 H2 TIP3A2089 16.476 9.904 26.524 1.00 0.00 H -ATOM 6268 O1 TIP3A2090 6.697 46.816 25.805 1.00 0.00 O -ATOM 6269 H1 TIP3A2090 5.855 46.705 26.246 1.00 0.00 H -ATOM 6270 H2 TIP3A2090 7.248 46.118 26.160 1.00 0.00 H -ATOM 6271 O1 TIP3A2091 24.961 47.582 53.602 1.00 0.00 O -ATOM 6272 H1 TIP3A2091 24.711 46.722 53.938 1.00 0.00 H -ATOM 6273 H2 TIP3A2091 25.709 47.842 54.140 1.00 0.00 H -ATOM 6274 O1 TIP3A2092 56.588 19.920 7.780 1.00 0.00 O -ATOM 6275 H1 TIP3A2092 55.632 19.887 7.746 1.00 0.00 H -ATOM 6276 H2 TIP3A2092 56.873 19.371 7.049 1.00 0.00 H -ATOM 6277 O1 TIP3A2093 47.160 29.192 31.810 1.00 0.00 O -ATOM 6278 H1 TIP3A2093 48.055 29.011 31.527 1.00 0.00 H -ATOM 6279 H2 TIP3A2093 47.226 30.008 32.307 1.00 0.00 H -ATOM 6280 O1 TIP3A2094 44.611 23.641 36.773 1.00 0.00 O -ATOM 6281 H1 TIP3A2094 44.392 24.528 37.056 1.00 0.00 H -ATOM 6282 H2 TIP3A2094 45.080 23.762 35.947 1.00 0.00 H -ATOM 6283 O1 TIP3A2095 57.451 38.976 24.317 1.00 0.00 O -ATOM 6284 H1 TIP3A2095 57.418 39.856 24.689 1.00 0.00 H -ATOM 6285 H2 TIP3A2095 58.000 38.479 24.924 1.00 0.00 H -ATOM 6286 O1 TIP3A2096 12.178 15.518 34.789 1.00 0.00 O -ATOM 6287 H1 TIP3A2096 12.546 14.637 34.848 1.00 0.00 H -ATOM 6288 H2 TIP3A2096 11.230 15.383 34.794 1.00 0.00 H -ATOM 6289 O1 TIP3A2097 22.446 19.419 47.315 1.00 0.00 O -ATOM 6290 H1 TIP3A2097 21.709 18.819 47.208 1.00 0.00 H -ATOM 6291 H2 TIP3A2097 22.633 19.404 48.254 1.00 0.00 H -ATOM 6292 O1 TIP3A2098 48.807 32.760 31.440 1.00 0.00 O -ATOM 6293 H1 TIP3A2098 47.942 33.040 31.141 1.00 0.00 H -ATOM 6294 H2 TIP3A2098 48.788 31.805 31.370 1.00 0.00 H -ATOM 6295 O1 TIP3A2099 42.440 18.489 46.199 1.00 0.00 O -ATOM 6296 H1 TIP3A2099 43.095 17.851 45.917 1.00 0.00 H -ATOM 6297 H2 TIP3A2099 41.736 18.411 45.554 1.00 0.00 H -ATOM 6298 O1 TIP3A2100 11.452 45.418 55.961 1.00 0.00 O -ATOM 6299 H1 TIP3A2100 11.621 45.281 55.030 1.00 0.00 H -ATOM 6300 H2 TIP3A2100 11.639 46.346 56.105 1.00 0.00 H -ATOM 6301 O1 TIP3A2101 22.853 47.546 36.912 1.00 0.00 O -ATOM 6302 H1 TIP3A2101 22.492 46.661 36.867 1.00 0.00 H -ATOM 6303 H2 TIP3A2101 23.461 47.520 37.651 1.00 0.00 H -ATOM 6304 O1 TIP3A2102 39.411 32.960 46.641 1.00 0.00 O -ATOM 6305 H1 TIP3A2102 39.640 32.385 47.370 1.00 0.00 H -ATOM 6306 H2 TIP3A2102 38.781 33.579 47.012 1.00 0.00 H -ATOM 6307 O1 TIP3A2103 56.508 21.412 10.803 1.00 0.00 O -ATOM 6308 H1 TIP3A2103 57.384 21.544 10.444 1.00 0.00 H -ATOM 6309 H2 TIP3A2103 55.960 22.046 10.339 1.00 0.00 H -ATOM 6310 O1 TIP3A2104 48.614 22.821 21.721 1.00 0.00 O -ATOM 6311 H1 TIP3A2104 48.691 22.104 21.092 1.00 0.00 H -ATOM 6312 H2 TIP3A2104 49.514 23.120 21.855 1.00 0.00 H -ATOM 6313 O1 TIP3A2105 37.234 51.520 48.427 1.00 0.00 O -ATOM 6314 H1 TIP3A2105 36.401 51.973 48.300 1.00 0.00 H -ATOM 6315 H2 TIP3A2105 37.150 51.100 49.284 1.00 0.00 H -ATOM 6316 O1 TIP3A2106 26.453 43.880 40.855 1.00 0.00 O -ATOM 6317 H1 TIP3A2106 27.224 43.346 40.670 1.00 0.00 H -ATOM 6318 H2 TIP3A2106 25.738 43.439 40.395 1.00 0.00 H -ATOM 6319 O1 TIP3A2107 31.965 11.747 55.846 1.00 0.00 O -ATOM 6320 H1 TIP3A2107 32.632 11.082 56.016 1.00 0.00 H -ATOM 6321 H2 TIP3A2107 31.848 11.732 54.895 1.00 0.00 H -ATOM 6322 O1 TIP3A2108 42.853 39.408 1.966 1.00 0.00 O -ATOM 6323 H1 TIP3A2108 42.314 39.559 2.742 1.00 0.00 H -ATOM 6324 H2 TIP3A2108 43.207 40.271 1.749 1.00 0.00 H -ATOM 6325 O1 TIP3A2109 34.640 7.107 23.658 1.00 0.00 O -ATOM 6326 H1 TIP3A2109 35.429 7.644 23.595 1.00 0.00 H -ATOM 6327 H2 TIP3A2109 34.733 6.460 22.957 1.00 0.00 H -ATOM 6328 O1 TIP3A2110 15.866 9.967 40.360 1.00 0.00 O -ATOM 6329 H1 TIP3A2110 16.490 9.249 40.256 1.00 0.00 H -ATOM 6330 H2 TIP3A2110 15.440 10.041 39.506 1.00 0.00 H -ATOM 6331 O1 TIP3A2111 12.265 48.519 6.055 1.00 0.00 O -ATOM 6332 H1 TIP3A2111 12.981 48.979 5.617 1.00 0.00 H -ATOM 6333 H2 TIP3A2111 11.788 49.207 6.520 1.00 0.00 H -ATOM 6334 O1 TIP3A2112 3.446 30.308 11.994 1.00 0.00 O -ATOM 6335 H1 TIP3A2112 3.115 31.159 11.707 1.00 0.00 H -ATOM 6336 H2 TIP3A2112 3.449 30.362 12.950 1.00 0.00 H -ATOM 6337 O1 TIP3A2113 29.300 28.946 11.740 1.00 0.00 O -ATOM 6338 H1 TIP3A2113 29.763 29.560 12.308 1.00 0.00 H -ATOM 6339 H2 TIP3A2113 29.144 28.179 12.292 1.00 0.00 H -ATOM 6340 O1 TIP3A2114 47.584 11.631 35.725 1.00 0.00 O -ATOM 6341 H1 TIP3A2114 46.706 11.611 35.344 1.00 0.00 H -ATOM 6342 H2 TIP3A2114 48.159 11.848 34.990 1.00 0.00 H -ATOM 6343 O1 TIP3A2115 41.722 20.642 42.657 1.00 0.00 O -ATOM 6344 H1 TIP3A2115 42.398 19.983 42.509 1.00 0.00 H -ATOM 6345 H2 TIP3A2115 42.028 21.133 43.420 1.00 0.00 H -ATOM 6346 O1 TIP3A2116 11.732 2.356 8.161 1.00 0.00 O -ATOM 6347 H1 TIP3A2116 12.292 2.041 7.452 1.00 0.00 H -ATOM 6348 H2 TIP3A2116 11.178 1.606 8.380 1.00 0.00 H -ATOM 6349 O1 TIP3A2117 17.491 39.510 33.367 1.00 0.00 O -ATOM 6350 H1 TIP3A2117 18.190 40.114 33.120 1.00 0.00 H -ATOM 6351 H2 TIP3A2117 17.770 39.152 34.211 1.00 0.00 H -ATOM 6352 O1 TIP3A2118 45.981 35.614 21.432 1.00 0.00 O -ATOM 6353 H1 TIP3A2118 45.509 35.059 22.052 1.00 0.00 H -ATOM 6354 H2 TIP3A2118 45.492 35.527 20.612 1.00 0.00 H -ATOM 6355 O1 TIP3A2119 54.880 33.323 35.551 1.00 0.00 O -ATOM 6356 H1 TIP3A2119 53.933 33.266 35.668 1.00 0.00 H -ATOM 6357 H2 TIP3A2119 54.995 33.919 34.810 1.00 0.00 H -ATOM 6358 O1 TIP3A2120 22.418 39.843 36.502 1.00 0.00 O -ATOM 6359 H1 TIP3A2120 21.580 40.304 36.507 1.00 0.00 H -ATOM 6360 H2 TIP3A2120 22.355 39.223 37.229 1.00 0.00 H -ATOM 6361 O1 TIP3A2121 31.323 8.659 23.585 1.00 0.00 O -ATOM 6362 H1 TIP3A2121 32.241 8.490 23.376 1.00 0.00 H -ATOM 6363 H2 TIP3A2121 30.882 7.825 23.422 1.00 0.00 H -ATOM 6364 O1 TIP3A2122 15.080 56.480 12.822 1.00 0.00 O -ATOM 6365 H1 TIP3A2122 15.695 55.753 12.917 1.00 0.00 H -ATOM 6366 H2 TIP3A2122 15.349 57.111 13.489 1.00 0.00 H -ATOM 6367 O1 TIP3A2123 1.253 29.403 37.857 1.00 0.00 O -ATOM 6368 H1 TIP3A2123 0.336 29.676 37.865 1.00 0.00 H -ATOM 6369 H2 TIP3A2123 1.294 28.683 38.487 1.00 0.00 H -ATOM 6370 O1 TIP3A2124 16.756 6.174 21.441 1.00 0.00 O -ATOM 6371 H1 TIP3A2124 16.582 7.107 21.321 1.00 0.00 H -ATOM 6372 H2 TIP3A2124 16.162 5.908 22.143 1.00 0.00 H -ATOM 6373 O1 TIP3A2125 57.518 25.932 54.843 1.00 0.00 O -ATOM 6374 H1 TIP3A2125 57.983 26.766 54.791 1.00 0.00 H -ATOM 6375 H2 TIP3A2125 58.002 25.350 54.256 1.00 0.00 H -ATOM 6376 O1 TIP3A2126 42.469 44.307 19.078 1.00 0.00 O -ATOM 6377 H1 TIP3A2126 41.708 43.794 18.809 1.00 0.00 H -ATOM 6378 H2 TIP3A2126 42.170 45.217 19.042 1.00 0.00 H -ATOM 6379 O1 TIP3A2127 48.616 7.349 42.510 1.00 0.00 O -ATOM 6380 H1 TIP3A2127 49.030 6.760 43.140 1.00 0.00 H -ATOM 6381 H2 TIP3A2127 48.639 8.208 42.933 1.00 0.00 H -ATOM 6382 O1 TIP3A2128 25.180 30.537 45.453 1.00 0.00 O -ATOM 6383 H1 TIP3A2128 25.764 30.337 46.183 1.00 0.00 H -ATOM 6384 H2 TIP3A2128 24.461 31.032 45.847 1.00 0.00 H -ATOM 6385 O1 TIP3A2129 11.763 6.907 4.667 1.00 0.00 O -ATOM 6386 H1 TIP3A2129 11.935 6.839 3.728 1.00 0.00 H -ATOM 6387 H2 TIP3A2129 11.146 7.634 4.746 1.00 0.00 H -ATOM 6388 O1 TIP3A2130 28.712 35.206 7.342 1.00 0.00 O -ATOM 6389 H1 TIP3A2130 28.716 35.667 8.180 1.00 0.00 H -ATOM 6390 H2 TIP3A2130 28.481 35.878 6.700 1.00 0.00 H -ATOM 6391 O1 TIP3A2131 43.783 9.069 11.729 1.00 0.00 O -ATOM 6392 H1 TIP3A2131 43.266 9.865 11.609 1.00 0.00 H -ATOM 6393 H2 TIP3A2131 43.380 8.632 12.480 1.00 0.00 H -ATOM 6394 O1 TIP3A2132 23.026 2.121 47.564 1.00 0.00 O -ATOM 6395 H1 TIP3A2132 22.263 2.591 47.900 1.00 0.00 H -ATOM 6396 H2 TIP3A2132 22.961 1.248 47.953 1.00 0.00 H -ATOM 6397 O1 TIP3A2133 50.685 43.438 29.057 1.00 0.00 O -ATOM 6398 H1 TIP3A2133 51.562 43.073 29.171 1.00 0.00 H -ATOM 6399 H2 TIP3A2133 50.817 44.211 28.507 1.00 0.00 H -ATOM 6400 O1 TIP3A2134 54.590 23.316 23.698 1.00 0.00 O -ATOM 6401 H1 TIP3A2134 55.286 23.078 24.310 1.00 0.00 H -ATOM 6402 H2 TIP3A2134 53.834 22.801 23.981 1.00 0.00 H -ATOM 6403 O1 TIP3A2135 3.832 15.834 38.545 1.00 0.00 O -ATOM 6404 H1 TIP3A2135 3.148 16.502 38.539 1.00 0.00 H -ATOM 6405 H2 TIP3A2135 4.483 16.151 37.917 1.00 0.00 H -ATOM 6406 O1 TIP3A2136 53.480 47.499 7.058 1.00 0.00 O -ATOM 6407 H1 TIP3A2136 54.384 47.208 6.948 1.00 0.00 H -ATOM 6408 H2 TIP3A2136 53.523 48.158 7.752 1.00 0.00 H -ATOM 6409 O1 TIP3A2137 40.039 16.358 7.319 1.00 0.00 O -ATOM 6410 H1 TIP3A2137 40.708 17.042 7.333 1.00 0.00 H -ATOM 6411 H2 TIP3A2137 39.661 16.410 6.441 1.00 0.00 H -ATOM 6412 O1 TIP3A2138 6.572 7.929 42.516 1.00 0.00 O -ATOM 6413 H1 TIP3A2138 7.127 8.582 42.091 1.00 0.00 H -ATOM 6414 H2 TIP3A2138 7.056 7.676 43.302 1.00 0.00 H -ATOM 6415 O1 TIP3A2139 1.213 40.600 4.482 1.00 0.00 O -ATOM 6416 H1 TIP3A2139 0.361 40.217 4.685 1.00 0.00 H -ATOM 6417 H2 TIP3A2139 1.050 41.156 3.719 1.00 0.00 H -ATOM 6418 O1 TIP3A2140 6.328 26.472 12.192 1.00 0.00 O -ATOM 6419 H1 TIP3A2140 6.704 27.113 12.794 1.00 0.00 H -ATOM 6420 H2 TIP3A2140 7.007 25.805 12.097 1.00 0.00 H -ATOM 6421 O1 TIP3A2141 21.600 26.970 22.202 1.00 0.00 O -ATOM 6422 H1 TIP3A2141 22.479 26.793 22.536 1.00 0.00 H -ATOM 6423 H2 TIP3A2141 21.041 26.336 22.652 1.00 0.00 H -ATOM 6424 O1 TIP3A2142 45.622 13.459 51.671 1.00 0.00 O -ATOM 6425 H1 TIP3A2142 46.352 12.842 51.660 1.00 0.00 H -ATOM 6426 H2 TIP3A2142 44.999 13.106 51.034 1.00 0.00 H -ATOM 6427 O1 TIP3A2143 26.240 22.566 24.235 1.00 0.00 O -ATOM 6428 H1 TIP3A2143 26.754 23.370 24.173 1.00 0.00 H -ATOM 6429 H2 TIP3A2143 26.878 21.862 24.114 1.00 0.00 H -ATOM 6430 O1 TIP3A2144 36.057 52.323 34.286 1.00 0.00 O -ATOM 6431 H1 TIP3A2144 36.946 52.494 33.978 1.00 0.00 H -ATOM 6432 H2 TIP3A2144 35.737 53.176 34.581 1.00 0.00 H -ATOM 6433 O1 TIP3A2145 45.256 21.313 6.787 1.00 0.00 O -ATOM 6434 H1 TIP3A2145 44.418 20.854 6.821 1.00 0.00 H -ATOM 6435 H2 TIP3A2145 45.052 22.156 6.380 1.00 0.00 H -ATOM 6436 O1 TIP3A2146 36.604 57.105 3.735 1.00 0.00 O -ATOM 6437 H1 TIP3A2146 37.298 56.756 4.293 1.00 0.00 H -ATOM 6438 H2 TIP3A2146 36.321 56.357 3.208 1.00 0.00 H -ATOM 6439 O1 TIP3A2147 15.482 12.299 28.359 1.00 0.00 O -ATOM 6440 H1 TIP3A2147 15.263 12.468 27.443 1.00 0.00 H -ATOM 6441 H2 TIP3A2147 15.071 11.456 28.553 1.00 0.00 H -ATOM 6442 O1 TIP3A2148 38.211 17.423 3.947 1.00 0.00 O -ATOM 6443 H1 TIP3A2148 38.917 16.930 3.529 1.00 0.00 H -ATOM 6444 H2 TIP3A2148 37.487 16.799 4.010 1.00 0.00 H -ATOM 6445 O1 TIP3A2149 32.160 25.548 57.374 1.00 0.00 O -ATOM 6446 H1 TIP3A2149 33.010 25.979 57.464 1.00 0.00 H -ATOM 6447 H2 TIP3A2149 31.594 26.001 58.000 1.00 0.00 H -ATOM 6448 O1 TIP3A2150 57.357 12.187 34.478 1.00 0.00 O -ATOM 6449 H1 TIP3A2150 57.509 13.121 34.335 1.00 0.00 H -ATOM 6450 H2 TIP3A2150 58.001 11.751 33.920 1.00 0.00 H -ATOM 6451 O1 TIP3A2151 21.355 11.246 8.108 1.00 0.00 O -ATOM 6452 H1 TIP3A2151 20.943 10.452 7.769 1.00 0.00 H -ATOM 6453 H2 TIP3A2151 21.989 11.495 7.435 1.00 0.00 H -ATOM 6454 O1 TIP3A2152 19.637 54.325 15.604 1.00 0.00 O -ATOM 6455 H1 TIP3A2152 20.296 54.091 16.257 1.00 0.00 H -ATOM 6456 H2 TIP3A2152 19.900 55.193 15.298 1.00 0.00 H -ATOM 6457 O1 TIP3A2153 20.599 9.509 33.271 1.00 0.00 O -ATOM 6458 H1 TIP3A2153 19.719 9.431 32.904 1.00 0.00 H -ATOM 6459 H2 TIP3A2153 20.792 8.636 33.617 1.00 0.00 H -ATOM 6460 O1 TIP3A2154 31.807 32.849 7.832 1.00 0.00 O -ATOM 6461 H1 TIP3A2154 31.511 33.729 7.605 1.00 0.00 H -ATOM 6462 H2 TIP3A2154 31.989 32.432 6.989 1.00 0.00 H -ATOM 6463 O1 TIP3A2155 36.778 31.909 5.081 1.00 0.00 O -ATOM 6464 H1 TIP3A2155 37.454 31.283 5.337 1.00 0.00 H -ATOM 6465 H2 TIP3A2155 36.081 31.370 4.705 1.00 0.00 H -ATOM 6466 O1 TIP3A2156 23.079 33.205 21.389 1.00 0.00 O -ATOM 6467 H1 TIP3A2156 22.767 32.443 21.876 1.00 0.00 H -ATOM 6468 H2 TIP3A2156 22.368 33.843 21.459 1.00 0.00 H -ATOM 6469 O1 TIP3A2157 40.466 40.954 5.042 1.00 0.00 O -ATOM 6470 H1 TIP3A2157 40.630 40.490 5.863 1.00 0.00 H -ATOM 6471 H2 TIP3A2157 39.549 41.223 5.098 1.00 0.00 H -ATOM 6472 O1 TIP3A2158 37.970 48.478 37.430 1.00 0.00 O -ATOM 6473 H1 TIP3A2158 37.220 49.036 37.636 1.00 0.00 H -ATOM 6474 H2 TIP3A2158 38.220 48.092 38.270 1.00 0.00 H -ATOM 6475 O1 TIP3A2159 28.677 2.083 43.561 1.00 0.00 O -ATOM 6476 H1 TIP3A2159 28.408 1.165 43.560 1.00 0.00 H -ATOM 6477 H2 TIP3A2159 28.520 2.378 44.458 1.00 0.00 H -ATOM 6478 O1 TIP3A2160 39.744 50.757 11.784 1.00 0.00 O -ATOM 6479 H1 TIP3A2160 40.487 51.280 11.486 1.00 0.00 H -ATOM 6480 H2 TIP3A2160 39.753 49.983 11.219 1.00 0.00 H -ATOM 6481 O1 TIP3A2161 51.574 9.410 18.892 1.00 0.00 O -ATOM 6482 H1 TIP3A2161 52.143 9.153 18.167 1.00 0.00 H -ATOM 6483 H2 TIP3A2161 50.728 9.011 18.686 1.00 0.00 H -ATOM 6484 O1 TIP3A2162 54.623 51.016 29.094 1.00 0.00 O -ATOM 6485 H1 TIP3A2162 55.147 50.228 29.233 1.00 0.00 H -ATOM 6486 H2 TIP3A2162 55.018 51.672 29.669 1.00 0.00 H -ATOM 6487 O1 TIP3A2163 47.467 13.593 16.211 1.00 0.00 O -ATOM 6488 H1 TIP3A2163 47.685 12.812 16.718 1.00 0.00 H -ATOM 6489 H2 TIP3A2163 46.570 13.444 15.913 1.00 0.00 H -ATOM 6490 O1 TIP3A2164 56.442 0.094 22.862 1.00 0.00 O -ATOM 6491 H1 TIP3A2164 56.562 1.040 22.780 1.00 0.00 H -ATOM 6492 H2 TIP3A2164 55.639 -0.002 23.375 1.00 0.00 H -ATOM 6493 O1 TIP3A2165 27.375 14.986 46.675 1.00 0.00 O -ATOM 6494 H1 TIP3A2165 26.428 14.950 46.805 1.00 0.00 H -ATOM 6495 H2 TIP3A2165 27.691 14.133 46.974 1.00 0.00 H -ATOM 6496 O1 TIP3A2166 57.872 34.547 25.671 1.00 0.00 O -ATOM 6497 H1 TIP3A2166 57.960 33.596 25.725 1.00 0.00 H -ATOM 6498 H2 TIP3A2166 57.546 34.708 24.785 1.00 0.00 H -ATOM 6499 O1 TIP3A2167 16.730 33.146 55.647 1.00 0.00 O -ATOM 6500 H1 TIP3A2167 16.249 32.334 55.488 1.00 0.00 H -ATOM 6501 H2 TIP3A2167 16.105 33.840 55.434 1.00 0.00 H -ATOM 6502 O1 TIP3A2168 47.239 19.534 30.095 1.00 0.00 O -ATOM 6503 H1 TIP3A2168 46.369 19.865 30.314 1.00 0.00 H -ATOM 6504 H2 TIP3A2168 47.369 18.791 30.685 1.00 0.00 H -ATOM 6505 O1 TIP3A2169 12.386 19.072 11.803 1.00 0.00 O -ATOM 6506 H1 TIP3A2169 13.038 18.559 11.326 1.00 0.00 H -ATOM 6507 H2 TIP3A2169 12.892 19.550 12.461 1.00 0.00 H -ATOM 6508 O1 TIP3A2170 13.639 3.132 38.936 1.00 0.00 O -ATOM 6509 H1 TIP3A2170 13.210 2.385 39.352 1.00 0.00 H -ATOM 6510 H2 TIP3A2170 13.523 3.852 39.556 1.00 0.00 H -ATOM 6511 O1 TIP3A2171 44.662 37.255 18.074 1.00 0.00 O -ATOM 6512 H1 TIP3A2171 43.919 36.659 18.171 1.00 0.00 H -ATOM 6513 H2 TIP3A2171 44.552 37.892 18.781 1.00 0.00 H -ATOM 6514 O1 TIP3A2172 6.207 14.703 4.655 1.00 0.00 O -ATOM 6515 H1 TIP3A2172 6.606 13.858 4.859 1.00 0.00 H -ATOM 6516 H2 TIP3A2172 5.607 14.518 3.932 1.00 0.00 H -ATOM 6517 O1 TIP3A2173 52.400 42.261 22.283 1.00 0.00 O -ATOM 6518 H1 TIP3A2173 52.147 43.166 22.463 1.00 0.00 H -ATOM 6519 H2 TIP3A2173 51.861 41.738 22.877 1.00 0.00 H -ATOM 6520 O1 TIP3A2174 23.062 33.362 42.917 1.00 0.00 O -ATOM 6521 H1 TIP3A2174 22.167 33.363 43.253 1.00 0.00 H -ATOM 6522 H2 TIP3A2174 23.088 34.095 42.300 1.00 0.00 H -ATOM 6523 O1 TIP3A2175 47.623 47.151 31.225 1.00 0.00 O -ATOM 6524 H1 TIP3A2175 48.323 47.597 30.749 1.00 0.00 H -ATOM 6525 H2 TIP3A2175 47.408 46.394 30.680 1.00 0.00 H -ATOM 6526 O1 TIP3A2176 39.697 8.685 39.221 1.00 0.00 O -ATOM 6527 H1 TIP3A2176 39.338 9.373 39.780 1.00 0.00 H -ATOM 6528 H2 TIP3A2176 39.547 8.997 38.328 1.00 0.00 H -ATOM 6529 O1 TIP3A2177 4.704 35.856 9.772 1.00 0.00 O -ATOM 6530 H1 TIP3A2177 5.268 35.106 9.586 1.00 0.00 H -ATOM 6531 H2 TIP3A2177 5.259 36.458 10.269 1.00 0.00 H -ATOM 6532 O1 TIP3A2178 23.482 30.170 52.140 1.00 0.00 O -ATOM 6533 H1 TIP3A2178 24.321 30.444 51.772 1.00 0.00 H -ATOM 6534 H2 TIP3A2178 23.581 30.297 53.084 1.00 0.00 H -ATOM 6535 O1 TIP3A2179 36.507 30.314 44.492 1.00 0.00 O -ATOM 6536 H1 TIP3A2179 37.068 31.033 44.780 1.00 0.00 H -ATOM 6537 H2 TIP3A2179 37.077 29.764 43.954 1.00 0.00 H -ATOM 6538 O1 TIP3A2180 52.645 42.250 31.041 1.00 0.00 O -ATOM 6539 H1 TIP3A2180 52.669 41.386 31.451 1.00 0.00 H -ATOM 6540 H2 TIP3A2180 52.871 42.857 31.747 1.00 0.00 H -ATOM 6541 O1 TIP3A2181 37.429 49.014 46.926 1.00 0.00 O -ATOM 6542 H1 TIP3A2181 38.061 48.376 47.256 1.00 0.00 H -ATOM 6543 H2 TIP3A2181 37.116 48.638 46.102 1.00 0.00 H -ATOM 6544 O1 TIP3A2182 20.362 16.718 53.130 1.00 0.00 O -ATOM 6545 H1 TIP3A2182 20.930 17.104 52.464 1.00 0.00 H -ATOM 6546 H2 TIP3A2182 20.343 17.366 53.834 1.00 0.00 H -ATOM 6547 O1 TIP3A2183 25.339 19.259 43.365 1.00 0.00 O -ATOM 6548 H1 TIP3A2183 24.979 18.588 42.786 1.00 0.00 H -ATOM 6549 H2 TIP3A2183 26.216 18.941 43.584 1.00 0.00 H -ATOM 6550 O1 TIP3A2184 50.188 21.771 34.208 1.00 0.00 O -ATOM 6551 H1 TIP3A2184 49.535 21.165 34.555 1.00 0.00 H -ATOM 6552 H2 TIP3A2184 51.000 21.532 34.657 1.00 0.00 H -ATOM 6553 O1 TIP3A2185 43.445 14.157 46.330 1.00 0.00 O -ATOM 6554 H1 TIP3A2185 43.584 15.103 46.303 1.00 0.00 H -ATOM 6555 H2 TIP3A2185 44.169 13.793 45.820 1.00 0.00 H -ATOM 6556 O1 TIP3A2186 49.630 42.787 26.196 1.00 0.00 O -ATOM 6557 H1 TIP3A2186 49.838 43.563 25.677 1.00 0.00 H -ATOM 6558 H2 TIP3A2186 48.696 42.639 26.043 1.00 0.00 H -ATOM 6559 O1 TIP3A2187 51.588 49.560 27.699 1.00 0.00 O -ATOM 6560 H1 TIP3A2187 50.806 49.042 27.887 1.00 0.00 H -ATOM 6561 H2 TIP3A2187 51.287 50.468 27.722 1.00 0.00 H -ATOM 6562 O1 TIP3A2188 35.166 46.511 18.513 1.00 0.00 O -ATOM 6563 H1 TIP3A2188 34.578 46.578 19.264 1.00 0.00 H -ATOM 6564 H2 TIP3A2188 35.113 45.592 18.248 1.00 0.00 H -ATOM 6565 O1 TIP3A2189 24.263 6.733 52.171 1.00 0.00 O -ATOM 6566 H1 TIP3A2189 25.091 6.579 51.718 1.00 0.00 H -ATOM 6567 H2 TIP3A2189 24.513 6.888 53.083 1.00 0.00 H -ATOM 6568 O1 TIP3A2190 45.275 41.276 30.836 1.00 0.00 O -ATOM 6569 H1 TIP3A2190 46.229 41.292 30.772 1.00 0.00 H -ATOM 6570 H2 TIP3A2190 45.017 40.473 30.382 1.00 0.00 H -ATOM 6571 O1 TIP3A2191 56.604 51.010 55.340 1.00 0.00 O -ATOM 6572 H1 TIP3A2191 56.474 50.263 55.923 1.00 0.00 H -ATOM 6573 H2 TIP3A2191 57.554 51.134 55.317 1.00 0.00 H -ATOM 6574 O1 TIP3A2192 10.723 48.626 40.516 1.00 0.00 O -ATOM 6575 H1 TIP3A2192 9.927 49.017 40.158 1.00 0.00 H -ATOM 6576 H2 TIP3A2192 10.412 47.895 41.051 1.00 0.00 H -ATOM 6577 O1 TIP3A2193 35.538 51.689 12.642 1.00 0.00 O -ATOM 6578 H1 TIP3A2193 36.477 51.679 12.822 1.00 0.00 H -ATOM 6579 H2 TIP3A2193 35.282 50.766 12.651 1.00 0.00 H -ATOM 6580 O1 TIP3A2194 18.269 36.789 54.870 1.00 0.00 O -ATOM 6581 H1 TIP3A2194 18.717 37.614 55.053 1.00 0.00 H -ATOM 6582 H2 TIP3A2194 17.464 37.047 54.421 1.00 0.00 H -ATOM 6583 O1 TIP3A2195 30.464 27.335 20.458 1.00 0.00 O -ATOM 6584 H1 TIP3A2195 30.482 26.872 21.295 1.00 0.00 H -ATOM 6585 H2 TIP3A2195 30.802 28.208 20.659 1.00 0.00 H -ATOM 6586 O1 TIP3A2196 27.164 48.255 12.150 1.00 0.00 O -ATOM 6587 H1 TIP3A2196 28.086 48.001 12.135 1.00 0.00 H -ATOM 6588 H2 TIP3A2196 27.146 49.064 12.662 1.00 0.00 H -ATOM 6589 O1 TIP3A2197 24.093 17.162 32.701 1.00 0.00 O -ATOM 6590 H1 TIP3A2197 24.976 17.130 32.333 1.00 0.00 H -ATOM 6591 H2 TIP3A2197 24.177 17.715 33.479 1.00 0.00 H -ATOM 6592 O1 TIP3A2198 53.428 42.278 39.518 1.00 0.00 O -ATOM 6593 H1 TIP3A2198 54.029 42.148 38.785 1.00 0.00 H -ATOM 6594 H2 TIP3A2198 52.596 41.914 39.213 1.00 0.00 H -ATOM 6595 O1 TIP3A2199 32.526 5.347 25.241 1.00 0.00 O -ATOM 6596 H1 TIP3A2199 33.461 5.160 25.169 1.00 0.00 H -ATOM 6597 H2 TIP3A2199 32.228 5.436 24.336 1.00 0.00 H -ATOM 6598 O1 TIP3A2200 34.851 44.572 29.699 1.00 0.00 O -ATOM 6599 H1 TIP3A2200 35.049 45.005 28.870 1.00 0.00 H -ATOM 6600 H2 TIP3A2200 34.870 45.276 30.348 1.00 0.00 H -ATOM 6601 O1 TIP3A2201 9.314 36.995 20.196 1.00 0.00 O -ATOM 6602 H1 TIP3A2201 8.826 36.417 19.611 1.00 0.00 H -ATOM 6603 H2 TIP3A2201 10.191 36.614 20.234 1.00 0.00 H -ATOM 6604 O1 TIP3A2202 53.626 57.302 12.863 1.00 0.00 O -ATOM 6605 H1 TIP3A2202 54.531 57.016 12.982 1.00 0.00 H -ATOM 6606 H2 TIP3A2202 53.422 57.792 13.661 1.00 0.00 H -ATOM 6607 O1 TIP3A2203 41.442 9.443 5.800 1.00 0.00 O -ATOM 6608 H1 TIP3A2203 40.647 9.013 6.114 1.00 0.00 H -ATOM 6609 H2 TIP3A2203 42.154 8.873 6.092 1.00 0.00 H -ATOM 6610 O1 TIP3A2204 40.309 49.112 38.672 1.00 0.00 O -ATOM 6611 H1 TIP3A2204 39.921 49.847 39.146 1.00 0.00 H -ATOM 6612 H2 TIP3A2204 40.938 49.517 38.074 1.00 0.00 H -ATOM 6613 O1 TIP3A2205 26.376 6.348 15.269 1.00 0.00 O -ATOM 6614 H1 TIP3A2205 25.507 5.969 15.395 1.00 0.00 H -ATOM 6615 H2 TIP3A2205 26.238 7.063 14.647 1.00 0.00 H -ATOM 6616 O1 TIP3A2206 43.049 51.192 9.396 1.00 0.00 O -ATOM 6617 H1 TIP3A2206 43.138 50.440 9.980 1.00 0.00 H -ATOM 6618 H2 TIP3A2206 43.898 51.634 9.442 1.00 0.00 H -ATOM 6619 O1 TIP3A2207 49.376 7.455 53.960 1.00 0.00 O -ATOM 6620 H1 TIP3A2207 48.619 7.757 53.460 1.00 0.00 H -ATOM 6621 H2 TIP3A2207 49.257 7.836 54.831 1.00 0.00 H -ATOM 6622 O1 TIP3A2208 18.707 42.263 29.789 1.00 0.00 O -ATOM 6623 H1 TIP3A2208 19.175 41.703 30.408 1.00 0.00 H -ATOM 6624 H2 TIP3A2208 18.232 41.653 29.224 1.00 0.00 H -ATOM 6625 O1 TIP3A2209 31.168 19.074 28.737 1.00 0.00 O -ATOM 6626 H1 TIP3A2209 30.305 19.071 29.150 1.00 0.00 H -ATOM 6627 H2 TIP3A2209 31.783 18.972 29.464 1.00 0.00 H -ATOM 6628 O1 TIP3A2210 36.744 56.193 0.838 1.00 0.00 O -ATOM 6629 H1 TIP3A2210 37.422 56.807 1.120 1.00 0.00 H -ATOM 6630 H2 TIP3A2210 37.229 55.450 0.477 1.00 0.00 H -ATOM 6631 O1 TIP3A2211 32.040 13.491 23.791 1.00 0.00 O -ATOM 6632 H1 TIP3A2211 31.089 13.401 23.848 1.00 0.00 H -ATOM 6633 H2 TIP3A2211 32.245 13.297 22.876 1.00 0.00 H -ATOM 6634 O1 TIP3A2212 11.241 35.786 11.552 1.00 0.00 O -ATOM 6635 H1 TIP3A2212 10.564 35.123 11.414 1.00 0.00 H -ATOM 6636 H2 TIP3A2212 10.940 36.544 11.050 1.00 0.00 H -ATOM 6637 O1 TIP3A2213 46.114 3.789 31.544 1.00 0.00 O -ATOM 6638 H1 TIP3A2213 46.191 4.574 31.003 1.00 0.00 H -ATOM 6639 H2 TIP3A2213 46.324 4.087 32.430 1.00 0.00 H -ATOM 6640 O1 TIP3A2214 30.526 7.039 16.799 1.00 0.00 O -ATOM 6641 H1 TIP3A2214 29.929 6.544 16.239 1.00 0.00 H -ATOM 6642 H2 TIP3A2214 31.125 6.380 17.153 1.00 0.00 H -ATOM 6643 O1 TIP3A2215 2.924 6.717 31.454 1.00 0.00 O -ATOM 6644 H1 TIP3A2215 2.512 5.895 31.717 1.00 0.00 H -ATOM 6645 H2 TIP3A2215 2.622 6.862 30.557 1.00 0.00 H -ATOM 6646 O1 TIP3A2216 41.634 21.871 52.532 1.00 0.00 O -ATOM 6647 H1 TIP3A2216 41.112 22.007 51.742 1.00 0.00 H -ATOM 6648 H2 TIP3A2216 41.611 20.924 52.674 1.00 0.00 H -ATOM 6649 O1 TIP3A2217 21.589 11.133 5.009 1.00 0.00 O -ATOM 6650 H1 TIP3A2217 21.207 10.356 5.416 1.00 0.00 H -ATOM 6651 H2 TIP3A2217 20.898 11.794 5.056 1.00 0.00 H -ATOM 6652 O1 TIP3A2218 40.581 31.269 9.132 1.00 0.00 O -ATOM 6653 H1 TIP3A2218 40.072 30.460 9.105 1.00 0.00 H -ATOM 6654 H2 TIP3A2218 40.249 31.786 8.396 1.00 0.00 H -ATOM 6655 O1 TIP3A2219 41.328 5.987 16.454 1.00 0.00 O -ATOM 6656 H1 TIP3A2219 40.558 5.430 16.342 1.00 0.00 H -ATOM 6657 H2 TIP3A2219 40.971 6.855 16.644 1.00 0.00 H -ATOM 6658 O1 TIP3A2220 8.355 15.677 6.959 1.00 0.00 O -ATOM 6659 H1 TIP3A2220 8.004 14.798 7.097 1.00 0.00 H -ATOM 6660 H2 TIP3A2220 9.302 15.550 6.892 1.00 0.00 H -ATOM 6661 O1 TIP3A2221 37.847 54.270 37.967 1.00 0.00 O -ATOM 6662 H1 TIP3A2221 37.811 54.453 37.028 1.00 0.00 H -ATOM 6663 H2 TIP3A2221 37.135 53.648 38.118 1.00 0.00 H -ATOM 6664 O1 TIP3A2222 14.869 34.734 34.960 1.00 0.00 O -ATOM 6665 H1 TIP3A2222 14.019 35.164 35.041 1.00 0.00 H -ATOM 6666 H2 TIP3A2222 14.957 34.223 35.766 1.00 0.00 H -ATOM 6667 O1 TIP3A2223 53.482 53.002 18.861 1.00 0.00 O -ATOM 6668 H1 TIP3A2223 53.431 53.932 19.075 1.00 0.00 H -ATOM 6669 H2 TIP3A2223 52.589 52.764 18.609 1.00 0.00 H -ATOM 6670 O1 TIP3A2224 20.100 9.680 25.565 1.00 0.00 O -ATOM 6671 H1 TIP3A2224 20.127 8.835 26.014 1.00 0.00 H -ATOM 6672 H2 TIP3A2224 20.620 10.263 26.119 1.00 0.00 H -ATOM 6673 O1 TIP3A2225 42.221 57.852 11.606 1.00 0.00 O -ATOM 6674 H1 TIP3A2225 43.134 57.697 11.363 1.00 0.00 H -ATOM 6675 H2 TIP3A2225 41.918 57.011 11.949 1.00 0.00 H -ATOM 6676 O1 TIP3A2226 6.315 19.843 48.492 1.00 0.00 O -ATOM 6677 H1 TIP3A2226 5.860 19.003 48.534 1.00 0.00 H -ATOM 6678 H2 TIP3A2226 5.898 20.306 47.765 1.00 0.00 H -ATOM 6679 O1 TIP3A2227 4.004 10.409 22.610 1.00 0.00 O -ATOM 6680 H1 TIP3A2227 3.701 10.982 23.314 1.00 0.00 H -ATOM 6681 H2 TIP3A2227 3.423 9.649 22.652 1.00 0.00 H -ATOM 6682 O1 TIP3A2228 40.712 20.772 32.471 1.00 0.00 O -ATOM 6683 H1 TIP3A2228 41.635 21.002 32.576 1.00 0.00 H -ATOM 6684 H2 TIP3A2228 40.702 20.144 31.748 1.00 0.00 H -ATOM 6685 O1 TIP3A2229 20.851 7.165 37.070 1.00 0.00 O -ATOM 6686 H1 TIP3A2229 21.089 7.161 36.144 1.00 0.00 H -ATOM 6687 H2 TIP3A2229 20.294 6.393 37.178 1.00 0.00 H -ATOM 6688 O1 TIP3A2230 20.926 42.089 41.720 1.00 0.00 O -ATOM 6689 H1 TIP3A2230 21.479 41.719 42.407 1.00 0.00 H -ATOM 6690 H2 TIP3A2230 21.514 42.200 40.972 1.00 0.00 H -ATOM 6691 O1 TIP3A2231 3.588 45.773 14.262 1.00 0.00 O -ATOM 6692 H1 TIP3A2231 4.128 46.148 14.957 1.00 0.00 H -ATOM 6693 H2 TIP3A2231 3.677 46.385 13.531 1.00 0.00 H -ATOM 6694 O1 TIP3A2232 50.860 37.039 31.421 1.00 0.00 O -ATOM 6695 H1 TIP3A2232 49.958 36.912 31.129 1.00 0.00 H -ATOM 6696 H2 TIP3A2232 51.071 36.240 31.904 1.00 0.00 H -ATOM 6697 O1 TIP3A2233 45.243 47.651 34.627 1.00 0.00 O -ATOM 6698 H1 TIP3A2233 45.778 47.200 35.280 1.00 0.00 H -ATOM 6699 H2 TIP3A2233 45.853 47.862 33.920 1.00 0.00 H -ATOM 6700 O1 TIP3A2234 10.094 45.599 41.086 1.00 0.00 O -ATOM 6701 H1 TIP3A2234 9.870 44.809 40.596 1.00 0.00 H -ATOM 6702 H2 TIP3A2234 10.018 45.341 42.005 1.00 0.00 H -ATOM 6703 O1 TIP3A2235 43.603 31.511 6.478 1.00 0.00 O -ATOM 6704 H1 TIP3A2235 43.554 32.197 5.813 1.00 0.00 H -ATOM 6705 H2 TIP3A2235 43.397 31.958 7.300 1.00 0.00 H -ATOM 6706 O1 TIP3A2236 34.512 25.472 47.115 1.00 0.00 O -ATOM 6707 H1 TIP3A2236 34.300 25.578 46.189 1.00 0.00 H -ATOM 6708 H2 TIP3A2236 35.235 26.082 47.267 1.00 0.00 H -ATOM 6709 O1 TIP3A2237 3.734 49.952 29.095 1.00 0.00 O -ATOM 6710 H1 TIP3A2237 3.451 50.854 28.948 1.00 0.00 H -ATOM 6711 H2 TIP3A2237 2.940 49.429 28.980 1.00 0.00 H -ATOM 6712 O1 TIP3A2238 49.255 10.983 17.269 1.00 0.00 O -ATOM 6713 H1 TIP3A2238 50.175 10.721 17.254 1.00 0.00 H -ATOM 6714 H2 TIP3A2238 49.228 11.734 17.864 1.00 0.00 H -ATOM 6715 O1 TIP3A2239 46.518 18.875 8.178 1.00 0.00 O -ATOM 6716 H1 TIP3A2239 47.129 18.196 7.894 1.00 0.00 H -ATOM 6717 H2 TIP3A2239 47.049 19.671 8.225 1.00 0.00 H -ATOM 6718 O1 TIP3A2240 15.614 8.308 37.619 1.00 0.00 O -ATOM 6719 H1 TIP3A2240 14.778 8.707 37.382 1.00 0.00 H -ATOM 6720 H2 TIP3A2240 15.464 7.935 38.489 1.00 0.00 H -ATOM 6721 O1 TIP3A2241 24.812 44.382 11.413 1.00 0.00 O -ATOM 6722 H1 TIP3A2241 24.181 45.071 11.620 1.00 0.00 H -ATOM 6723 H2 TIP3A2241 24.417 43.582 11.762 1.00 0.00 H -ATOM 6724 O1 TIP3A2242 8.627 4.014 57.753 1.00 0.00 O -ATOM 6725 H1 TIP3A2242 8.266 4.653 57.139 1.00 0.00 H -ATOM 6726 H2 TIP3A2242 9.371 3.629 57.288 1.00 0.00 H -ATOM 6727 O1 TIP3A2243 9.851 46.532 50.212 1.00 0.00 O -ATOM 6728 H1 TIP3A2243 10.288 45.813 50.667 1.00 0.00 H -ATOM 6729 H2 TIP3A2243 9.148 46.110 49.717 1.00 0.00 H -ATOM 6730 O1 TIP3A2244 36.171 9.866 57.541 1.00 0.00 O -ATOM 6731 H1 TIP3A2244 36.700 9.222 58.011 1.00 0.00 H -ATOM 6732 H2 TIP3A2244 36.603 9.957 56.691 1.00 0.00 H -ATOM 6733 O1 TIP3A2245 9.498 26.427 46.494 1.00 0.00 O -ATOM 6734 H1 TIP3A2245 10.165 25.745 46.419 1.00 0.00 H -ATOM 6735 H2 TIP3A2245 8.861 26.215 45.812 1.00 0.00 H -ATOM 6736 O1 TIP3A2246 23.448 15.225 1.475 1.00 0.00 O -ATOM 6737 H1 TIP3A2246 22.799 14.522 1.457 1.00 0.00 H -ATOM 6738 H2 TIP3A2246 24.103 14.931 2.109 1.00 0.00 H -ATOM 6739 O1 TIP3A2247 7.401 40.614 45.987 1.00 0.00 O -ATOM 6740 H1 TIP3A2247 7.241 41.094 45.174 1.00 0.00 H -ATOM 6741 H2 TIP3A2247 7.765 41.268 46.584 1.00 0.00 H -ATOM 6742 O1 TIP3A2248 23.807 51.192 22.616 1.00 0.00 O -ATOM 6743 H1 TIP3A2248 23.239 51.631 23.248 1.00 0.00 H -ATOM 6744 H2 TIP3A2248 23.341 51.269 21.782 1.00 0.00 H -ATOM 6745 O1 TIP3A2249 9.041 1.568 49.893 1.00 0.00 O -ATOM 6746 H1 TIP3A2249 9.921 1.238 50.071 1.00 0.00 H -ATOM 6747 H2 TIP3A2249 8.999 2.404 50.360 1.00 0.00 H -ATOM 6748 O1 TIP3A2250 20.857 41.882 20.316 1.00 0.00 O -ATOM 6749 H1 TIP3A2250 20.529 41.284 19.645 1.00 0.00 H -ATOM 6750 H2 TIP3A2250 21.194 42.632 19.825 1.00 0.00 H -ATOM 6751 O1 TIP3A2251 2.562 22.435 31.160 1.00 0.00 O -ATOM 6752 H1 TIP3A2251 2.424 21.489 31.183 1.00 0.00 H -ATOM 6753 H2 TIP3A2251 1.983 22.745 30.462 1.00 0.00 H -ATOM 6754 O1 TIP3A2252 22.227 32.305 51.523 1.00 0.00 O -ATOM 6755 H1 TIP3A2252 23.177 32.414 51.548 1.00 0.00 H -ATOM 6756 H2 TIP3A2252 22.047 31.964 50.646 1.00 0.00 H -ATOM 6757 O1 TIP3A2253 17.026 52.310 50.210 1.00 0.00 O -ATOM 6758 H1 TIP3A2253 17.825 52.551 50.677 1.00 0.00 H -ATOM 6759 H2 TIP3A2253 16.362 52.914 50.543 1.00 0.00 H -ATOM 6760 O1 TIP3A2254 28.495 24.730 13.601 1.00 0.00 O -ATOM 6761 H1 TIP3A2254 28.099 24.960 14.441 1.00 0.00 H -ATOM 6762 H2 TIP3A2254 28.632 23.783 13.652 1.00 0.00 H -ATOM 6763 O1 TIP3A2255 17.583 55.410 44.166 1.00 0.00 O -ATOM 6764 H1 TIP3A2255 16.876 55.986 44.454 1.00 0.00 H -ATOM 6765 H2 TIP3A2255 18.051 55.919 43.502 1.00 0.00 H -ATOM 6766 O1 TIP3A2256 7.900 43.749 46.923 1.00 0.00 O -ATOM 6767 H1 TIP3A2256 8.789 43.732 47.276 1.00 0.00 H -ATOM 6768 H2 TIP3A2256 7.991 43.420 46.028 1.00 0.00 H -ATOM 6769 O1 TIP3A2257 38.482 26.979 54.687 1.00 0.00 O -ATOM 6770 H1 TIP3A2257 38.776 26.151 54.310 1.00 0.00 H -ATOM 6771 H2 TIP3A2257 38.178 26.749 55.565 1.00 0.00 H -ATOM 6772 O1 TIP3A2258 32.675 37.017 9.618 1.00 0.00 O -ATOM 6773 H1 TIP3A2258 32.696 37.957 9.443 1.00 0.00 H -ATOM 6774 H2 TIP3A2258 31.857 36.880 10.098 1.00 0.00 H -ATOM 6775 O1 TIP3A2259 51.898 45.290 15.582 1.00 0.00 O -ATOM 6776 H1 TIP3A2259 52.018 44.676 16.307 1.00 0.00 H -ATOM 6777 H2 TIP3A2259 52.468 44.956 14.889 1.00 0.00 H -ATOM 6778 O1 TIP3A2260 6.430 1.453 24.068 1.00 0.00 O -ATOM 6779 H1 TIP3A2260 7.248 1.155 24.464 1.00 0.00 H -ATOM 6780 H2 TIP3A2260 6.581 2.378 23.872 1.00 0.00 H -ATOM 6781 O1 TIP3A2261 36.234 36.272 1.651 1.00 0.00 O -ATOM 6782 H1 TIP3A2261 36.838 36.599 2.316 1.00 0.00 H -ATOM 6783 H2 TIP3A2261 35.746 35.575 2.092 1.00 0.00 H -ATOM 6784 O1 TIP3A2262 15.773 31.704 31.094 1.00 0.00 O -ATOM 6785 H1 TIP3A2262 15.105 31.038 31.255 1.00 0.00 H -ATOM 6786 H2 TIP3A2262 15.343 32.533 31.307 1.00 0.00 H -ATOM 6787 O1 TIP3A2263 25.648 25.636 24.312 1.00 0.00 O -ATOM 6788 H1 TIP3A2263 25.163 24.844 24.540 1.00 0.00 H -ATOM 6789 H2 TIP3A2263 25.639 25.656 23.355 1.00 0.00 H -ATOM 6790 O1 TIP3A2264 1.179 1.087 28.390 1.00 0.00 O -ATOM 6791 H1 TIP3A2264 0.728 1.800 27.941 1.00 0.00 H -ATOM 6792 H2 TIP3A2264 1.641 1.512 29.114 1.00 0.00 H -ATOM 6793 O1 TIP3A2265 52.322 36.048 23.226 1.00 0.00 O -ATOM 6794 H1 TIP3A2265 52.736 36.852 23.537 1.00 0.00 H -ATOM 6795 H2 TIP3A2265 52.944 35.355 23.452 1.00 0.00 H -ATOM 6796 O1 TIP3A2266 33.403 9.146 48.415 1.00 0.00 O -ATOM 6797 H1 TIP3A2266 33.051 10.021 48.578 1.00 0.00 H -ATOM 6798 H2 TIP3A2266 33.043 8.608 49.121 1.00 0.00 H -ATOM 6799 O1 TIP3A2267 30.914 48.180 15.386 1.00 0.00 O -ATOM 6800 H1 TIP3A2267 31.708 47.703 15.627 1.00 0.00 H -ATOM 6801 H2 TIP3A2267 30.404 48.221 16.195 1.00 0.00 H -ATOM 6802 O1 TIP3A2268 43.517 23.973 32.570 1.00 0.00 O -ATOM 6803 H1 TIP3A2268 42.848 23.565 33.119 1.00 0.00 H -ATOM 6804 H2 TIP3A2268 44.132 23.265 32.375 1.00 0.00 H -ATOM 6805 O1 TIP3A2269 8.681 19.665 36.947 1.00 0.00 O -ATOM 6806 H1 TIP3A2269 9.042 19.791 36.070 1.00 0.00 H -ATOM 6807 H2 TIP3A2269 8.359 20.530 37.202 1.00 0.00 H -ATOM 6808 O1 TIP3A2270 26.048 12.068 1.549 1.00 0.00 O -ATOM 6809 H1 TIP3A2270 26.410 12.657 2.210 1.00 0.00 H -ATOM 6810 H2 TIP3A2270 25.809 12.641 0.821 1.00 0.00 H -ATOM 6811 O1 TIP3A2271 21.899 2.558 40.224 1.00 0.00 O -ATOM 6812 H1 TIP3A2271 22.635 2.047 39.889 1.00 0.00 H -ATOM 6813 H2 TIP3A2271 22.194 2.875 41.078 1.00 0.00 H -ATOM 6814 O1 TIP3A2272 33.767 39.037 3.207 1.00 0.00 O -ATOM 6815 H1 TIP3A2272 33.622 38.095 3.125 1.00 0.00 H -ATOM 6816 H2 TIP3A2272 34.677 39.115 3.498 1.00 0.00 H -ATOM 6817 O1 TIP3A2273 27.897 33.075 1.702 1.00 0.00 O -ATOM 6818 H1 TIP3A2273 27.082 32.948 1.216 1.00 0.00 H -ATOM 6819 H2 TIP3A2273 28.235 33.915 1.389 1.00 0.00 H -ATOM 6820 O1 TIP3A2274 23.183 34.330 11.835 1.00 0.00 O -ATOM 6821 H1 TIP3A2274 23.594 33.794 11.157 1.00 0.00 H -ATOM 6822 H2 TIP3A2274 22.261 34.376 11.578 1.00 0.00 H -ATOM 6823 O1 TIP3A2275 56.355 38.121 2.813 1.00 0.00 O -ATOM 6824 H1 TIP3A2275 56.890 37.333 2.722 1.00 0.00 H -ATOM 6825 H2 TIP3A2275 55.722 38.066 2.097 1.00 0.00 H -ATOM 6826 O1 TIP3A2276 33.816 50.401 56.570 1.00 0.00 O -ATOM 6827 H1 TIP3A2276 33.414 51.198 56.226 1.00 0.00 H -ATOM 6828 H2 TIP3A2276 33.121 49.980 57.076 1.00 0.00 H -ATOM 6829 O1 TIP3A2277 57.393 16.898 0.654 1.00 0.00 O -ATOM 6830 H1 TIP3A2277 57.511 17.842 0.559 1.00 0.00 H -ATOM 6831 H2 TIP3A2277 56.752 16.806 1.360 1.00 0.00 H -ATOM 6832 O1 TIP3A2278 7.476 26.159 36.637 1.00 0.00 O -ATOM 6833 H1 TIP3A2278 7.014 26.887 37.052 1.00 0.00 H -ATOM 6834 H2 TIP3A2278 6.982 25.988 35.835 1.00 0.00 H -ATOM 6835 O1 TIP3A2279 51.111 8.902 36.277 1.00 0.00 O -ATOM 6836 H1 TIP3A2279 51.920 9.283 35.939 1.00 0.00 H -ATOM 6837 H2 TIP3A2279 51.130 7.993 35.977 1.00 0.00 H -ATOM 6838 O1 TIP3A2280 8.437 12.012 49.066 1.00 0.00 O -ATOM 6839 H1 TIP3A2280 8.724 11.917 48.158 1.00 0.00 H -ATOM 6840 H2 TIP3A2280 9.185 12.408 49.514 1.00 0.00 H -ATOM 6841 O1 TIP3A2281 49.065 13.052 50.338 1.00 0.00 O -ATOM 6842 H1 TIP3A2281 48.226 12.780 49.967 1.00 0.00 H -ATOM 6843 H2 TIP3A2281 49.254 12.397 51.011 1.00 0.00 H -ATOM 6844 O1 TIP3A2282 27.914 19.529 17.525 1.00 0.00 O -ATOM 6845 H1 TIP3A2282 27.110 19.104 17.822 1.00 0.00 H -ATOM 6846 H2 TIP3A2282 27.628 20.129 16.835 1.00 0.00 H -ATOM 6847 O1 TIP3A2283 4.216 51.110 22.077 1.00 0.00 O -ATOM 6848 H1 TIP3A2283 4.719 50.303 21.970 1.00 0.00 H -ATOM 6849 H2 TIP3A2283 4.039 51.159 23.017 1.00 0.00 H -ATOM 6850 O1 TIP3A2284 50.989 38.155 38.537 1.00 0.00 O -ATOM 6851 H1 TIP3A2284 51.803 38.627 38.366 1.00 0.00 H -ATOM 6852 H2 TIP3A2284 50.874 37.589 37.774 1.00 0.00 H -ATOM 6853 O1 TIP3A2285 28.611 7.482 27.949 1.00 0.00 O -ATOM 6854 H1 TIP3A2285 27.995 7.695 28.649 1.00 0.00 H -ATOM 6855 H2 TIP3A2285 28.866 6.576 28.122 1.00 0.00 H -ATOM 6856 O1 TIP3A2286 1.411 46.604 16.491 1.00 0.00 O -ATOM 6857 H1 TIP3A2286 1.006 45.797 16.809 1.00 0.00 H -ATOM 6858 H2 TIP3A2286 0.827 47.301 16.793 1.00 0.00 H -ATOM 6859 O1 TIP3A2287 16.658 9.880 46.905 1.00 0.00 O -ATOM 6860 H1 TIP3A2287 16.058 10.563 47.202 1.00 0.00 H -ATOM 6861 H2 TIP3A2287 16.377 9.686 46.010 1.00 0.00 H -ATOM 6862 O1 TIP3A2288 3.134 40.207 35.686 1.00 0.00 O -ATOM 6863 H1 TIP3A2288 2.262 40.288 35.301 1.00 0.00 H -ATOM 6864 H2 TIP3A2288 3.617 40.962 35.347 1.00 0.00 H -ATOM 6865 O1 TIP3A2289 23.448 10.113 43.538 1.00 0.00 O -ATOM 6866 H1 TIP3A2289 22.528 9.860 43.476 1.00 0.00 H -ATOM 6867 H2 TIP3A2289 23.540 10.841 42.922 1.00 0.00 H -ATOM 6868 O1 TIP3A2290 41.676 32.883 10.854 1.00 0.00 O -ATOM 6869 H1 TIP3A2290 41.862 32.903 9.916 1.00 0.00 H -ATOM 6870 H2 TIP3A2290 41.712 33.800 11.126 1.00 0.00 H -ATOM 6871 O1 TIP3A2291 42.250 2.001 30.996 1.00 0.00 O -ATOM 6872 H1 TIP3A2291 41.687 2.682 31.364 1.00 0.00 H -ATOM 6873 H2 TIP3A2291 42.169 1.267 31.606 1.00 0.00 H -ATOM 6874 O1 TIP3A2292 11.436 40.007 36.663 1.00 0.00 O -ATOM 6875 H1 TIP3A2292 11.057 39.129 36.641 1.00 0.00 H -ATOM 6876 H2 TIP3A2292 11.284 40.312 37.559 1.00 0.00 H -ATOM 6877 O1 TIP3A2293 10.687 22.570 9.283 1.00 0.00 O -ATOM 6878 H1 TIP3A2293 10.988 21.695 9.040 1.00 0.00 H -ATOM 6879 H2 TIP3A2293 10.622 22.544 10.239 1.00 0.00 H -ATOM 6880 O1 TIP3A2294 29.872 15.002 20.788 1.00 0.00 O -ATOM 6881 H1 TIP3A2294 30.459 15.366 21.449 1.00 0.00 H -ATOM 6882 H2 TIP3A2294 29.068 14.799 21.267 1.00 0.00 H -ATOM 6883 O1 TIP3A2295 2.302 15.937 57.296 1.00 0.00 O -ATOM 6884 H1 TIP3A2295 2.494 15.001 57.321 1.00 0.00 H -ATOM 6885 H2 TIP3A2295 2.892 16.321 57.945 1.00 0.00 H -ATOM 6886 O1 TIP3A2296 41.504 52.425 54.756 1.00 0.00 O -ATOM 6887 H1 TIP3A2296 42.407 52.115 54.827 1.00 0.00 H -ATOM 6888 H2 TIP3A2296 41.502 53.265 55.216 1.00 0.00 H -ATOM 6889 O1 TIP3A2297 12.844 11.181 40.457 1.00 0.00 O -ATOM 6890 H1 TIP3A2297 13.625 10.671 40.669 1.00 0.00 H -ATOM 6891 H2 TIP3A2297 12.424 11.341 41.303 1.00 0.00 H -ATOM 6892 O1 TIP3A2298 27.298 46.336 18.077 1.00 0.00 O -ATOM 6893 H1 TIP3A2298 27.224 47.289 18.062 1.00 0.00 H -ATOM 6894 H2 TIP3A2298 27.913 46.153 18.788 1.00 0.00 H -ATOM 6895 O1 TIP3A2299 22.616 29.706 30.317 1.00 0.00 O -ATOM 6896 H1 TIP3A2299 22.835 28.942 29.785 1.00 0.00 H -ATOM 6897 H2 TIP3A2299 22.659 29.390 31.220 1.00 0.00 H -ATOM 6898 O1 TIP3A2300 6.237 24.090 50.998 1.00 0.00 O -ATOM 6899 H1 TIP3A2300 5.747 24.802 51.408 1.00 0.00 H -ATOM 6900 H2 TIP3A2300 6.280 24.331 50.072 1.00 0.00 H -ATOM 6901 O1 TIP3A2301 39.505 43.897 38.885 1.00 0.00 O -ATOM 6902 H1 TIP3A2301 39.519 42.941 38.900 1.00 0.00 H -ATOM 6903 H2 TIP3A2301 40.052 44.157 39.627 1.00 0.00 H -ATOM 6904 O1 TIP3A2302 45.159 46.316 30.272 1.00 0.00 O -ATOM 6905 H1 TIP3A2302 44.206 46.371 30.222 1.00 0.00 H -ATOM 6906 H2 TIP3A2302 45.327 45.539 30.807 1.00 0.00 H -ATOM 6907 O1 TIP3A2303 26.727 30.251 13.098 1.00 0.00 O -ATOM 6908 H1 TIP3A2303 26.292 30.216 12.247 1.00 0.00 H -ATOM 6909 H2 TIP3A2303 26.714 31.178 13.336 1.00 0.00 H -ATOM 6910 O1 TIP3A2304 36.807 55.693 56.622 1.00 0.00 O -ATOM 6911 H1 TIP3A2304 37.133 55.001 57.196 1.00 0.00 H -ATOM 6912 H2 TIP3A2304 35.860 55.700 56.769 1.00 0.00 H -ATOM 6913 O1 TIP3A2305 8.430 9.215 11.083 1.00 0.00 O -ATOM 6914 H1 TIP3A2305 9.128 9.431 11.700 1.00 0.00 H -ATOM 6915 H2 TIP3A2305 7.863 8.610 11.562 1.00 0.00 H -ATOM 6916 O1 TIP3A2306 52.345 30.382 4.148 1.00 0.00 O -ATOM 6917 H1 TIP3A2306 51.574 30.110 4.645 1.00 0.00 H -ATOM 6918 H2 TIP3A2306 52.153 30.124 3.246 1.00 0.00 H -ATOM 6919 O1 TIP3A2307 20.780 34.353 51.846 1.00 0.00 O -ATOM 6920 H1 TIP3A2307 20.600 34.412 52.784 1.00 0.00 H -ATOM 6921 H2 TIP3A2307 21.727 34.475 51.775 1.00 0.00 H -ATOM 6922 O1 TIP3A2308 3.885 53.644 1.342 1.00 0.00 O -ATOM 6923 H1 TIP3A2308 4.768 53.308 1.489 1.00 0.00 H -ATOM 6924 H2 TIP3A2308 3.665 53.361 0.453 1.00 0.00 H -ATOM 6925 O1 TIP3A2309 18.317 10.634 57.252 1.00 0.00 O -ATOM 6926 H1 TIP3A2309 17.984 10.119 57.986 1.00 0.00 H -ATOM 6927 H2 TIP3A2309 17.864 10.282 56.486 1.00 0.00 H -ATOM 6928 O1 TIP3A2310 27.373 19.615 23.817 1.00 0.00 O -ATOM 6929 H1 TIP3A2310 27.213 19.036 23.072 1.00 0.00 H -ATOM 6930 H2 TIP3A2310 26.630 19.467 24.401 1.00 0.00 H -ATOM 6931 O1 TIP3A2311 26.016 10.804 12.932 1.00 0.00 O -ATOM 6932 H1 TIP3A2311 26.237 9.913 12.663 1.00 0.00 H -ATOM 6933 H2 TIP3A2311 26.823 11.145 13.319 1.00 0.00 H -ATOM 6934 O1 TIP3A2312 55.206 28.293 47.056 1.00 0.00 O -ATOM 6935 H1 TIP3A2312 55.500 28.860 46.343 1.00 0.00 H -ATOM 6936 H2 TIP3A2312 54.732 27.585 46.619 1.00 0.00 H -ATOM 6937 O1 TIP3A2313 52.352 12.285 17.983 1.00 0.00 O -ATOM 6938 H1 TIP3A2313 52.173 11.345 17.956 1.00 0.00 H -ATOM 6939 H2 TIP3A2313 52.154 12.592 17.097 1.00 0.00 H -ATOM 6940 O1 TIP3A2314 40.495 8.734 13.692 1.00 0.00 O -ATOM 6941 H1 TIP3A2314 40.997 9.533 13.530 1.00 0.00 H -ATOM 6942 H2 TIP3A2314 39.838 8.991 14.339 1.00 0.00 H -ATOM 6943 O1 TIP3A2315 12.297 55.059 18.258 1.00 0.00 O -ATOM 6944 H1 TIP3A2315 12.476 55.955 18.541 1.00 0.00 H -ATOM 6945 H2 TIP3A2315 12.654 55.011 17.371 1.00 0.00 H -ATOM 6946 O1 TIP3A2316 11.494 1.471 57.998 1.00 0.00 O -ATOM 6947 H1 TIP3A2316 12.155 2.100 57.712 1.00 0.00 H -ATOM 6948 H2 TIP3A2316 10.679 1.781 57.601 1.00 0.00 H -ATOM 6949 O1 TIP3A2317 36.374 12.092 50.593 1.00 0.00 O -ATOM 6950 H1 TIP3A2317 36.874 12.730 50.084 1.00 0.00 H -ATOM 6951 H2 TIP3A2317 35.462 12.248 50.345 1.00 0.00 H -ATOM 6952 O1 TIP3A2318 12.098 25.517 3.854 1.00 0.00 O -ATOM 6953 H1 TIP3A2318 12.005 24.589 3.641 1.00 0.00 H -ATOM 6954 H2 TIP3A2318 11.368 25.942 3.402 1.00 0.00 H -ATOM 6955 O1 TIP3A2319 57.502 52.630 2.931 1.00 0.00 O -ATOM 6956 H1 TIP3A2319 58.000 52.074 2.332 1.00 0.00 H -ATOM 6957 H2 TIP3A2319 57.934 52.519 3.778 1.00 0.00 H -ATOM 6958 O1 TIP3A2320 40.618 47.138 27.727 1.00 0.00 O -ATOM 6959 H1 TIP3A2320 39.740 47.388 27.442 1.00 0.00 H -ATOM 6960 H2 TIP3A2320 40.604 46.180 27.735 1.00 0.00 H -ATOM 6961 O1 TIP3A2321 44.235 25.090 50.270 1.00 0.00 O -ATOM 6962 H1 TIP3A2321 44.403 24.547 49.500 1.00 0.00 H -ATOM 6963 H2 TIP3A2321 44.843 24.762 50.933 1.00 0.00 H -ATOM 6964 O1 TIP3A2322 7.855 18.168 28.827 1.00 0.00 O -ATOM 6965 H1 TIP3A2322 7.023 17.698 28.795 1.00 0.00 H -ATOM 6966 H2 TIP3A2322 8.028 18.412 27.917 1.00 0.00 H -ATOM 6967 O1 TIP3A2323 34.549 28.105 14.205 1.00 0.00 O -ATOM 6968 H1 TIP3A2323 34.994 27.452 14.743 1.00 0.00 H -ATOM 6969 H2 TIP3A2323 33.899 28.496 14.791 1.00 0.00 H -ATOM 6970 O1 TIP3A2324 16.101 44.419 24.068 1.00 0.00 O -ATOM 6971 H1 TIP3A2324 16.385 43.529 23.862 1.00 0.00 H -ATOM 6972 H2 TIP3A2324 15.247 44.308 24.486 1.00 0.00 H -ATOM 6973 O1 TIP3A2325 9.799 9.848 52.974 1.00 0.00 O -ATOM 6974 H1 TIP3A2325 9.591 8.915 52.939 1.00 0.00 H -ATOM 6975 H2 TIP3A2325 10.447 9.924 53.675 1.00 0.00 H -ATOM 6976 O1 TIP3A2326 46.748 8.508 45.700 1.00 0.00 O -ATOM 6977 H1 TIP3A2326 46.684 9.237 46.316 1.00 0.00 H -ATOM 6978 H2 TIP3A2326 46.865 8.924 44.846 1.00 0.00 H -ATOM 6979 O1 TIP3A2327 43.413 15.634 34.313 1.00 0.00 O -ATOM 6980 H1 TIP3A2327 43.862 15.632 33.468 1.00 0.00 H -ATOM 6981 H2 TIP3A2327 44.114 15.741 34.957 1.00 0.00 H -ATOM 6982 O1 TIP3A2328 36.437 25.254 22.422 1.00 0.00 O -ATOM 6983 H1 TIP3A2328 37.289 25.685 22.365 1.00 0.00 H -ATOM 6984 H2 TIP3A2328 36.437 24.835 23.284 1.00 0.00 H -ATOM 6985 O1 TIP3A2329 32.848 30.173 22.399 1.00 0.00 O -ATOM 6986 H1 TIP3A2329 32.208 30.140 21.688 1.00 0.00 H -ATOM 6987 H2 TIP3A2329 33.607 29.696 22.062 1.00 0.00 H -ATOM 6988 O1 TIP3A2330 3.309 32.446 15.933 1.00 0.00 O -ATOM 6989 H1 TIP3A2330 3.474 31.503 15.948 1.00 0.00 H -ATOM 6990 H2 TIP3A2330 3.920 32.806 16.577 1.00 0.00 H -ATOM 6991 O1 TIP3A2331 28.287 55.024 44.863 1.00 0.00 O -ATOM 6992 H1 TIP3A2331 29.244 55.022 44.891 1.00 0.00 H -ATOM 6993 H2 TIP3A2331 28.031 55.735 45.450 1.00 0.00 H -ATOM 6994 O1 TIP3A2332 10.220 47.452 52.714 1.00 0.00 O -ATOM 6995 H1 TIP3A2332 10.268 47.981 51.918 1.00 0.00 H -ATOM 6996 H2 TIP3A2332 9.571 47.898 53.259 1.00 0.00 H -ATOM 6997 O1 TIP3A2333 38.423 29.140 27.987 1.00 0.00 O -ATOM 6998 H1 TIP3A2333 39.127 28.883 27.393 1.00 0.00 H -ATOM 6999 H2 TIP3A2333 38.552 30.079 28.121 1.00 0.00 H -ATOM 7000 O1 TIP3A2334 48.667 43.668 54.763 1.00 0.00 O -ATOM 7001 H1 TIP3A2334 48.286 44.436 55.186 1.00 0.00 H -ATOM 7002 H2 TIP3A2334 48.612 42.977 55.424 1.00 0.00 H -ATOM 7003 O1 TIP3A2335 36.942 52.833 8.210 1.00 0.00 O -ATOM 7004 H1 TIP3A2335 37.590 52.660 7.527 1.00 0.00 H -ATOM 7005 H2 TIP3A2335 36.638 53.724 8.032 1.00 0.00 H -ATOM 7006 O1 TIP3A2336 53.424 3.508 37.197 1.00 0.00 O -ATOM 7007 H1 TIP3A2336 53.428 4.311 36.676 1.00 0.00 H -ATOM 7008 H2 TIP3A2336 54.320 3.177 37.133 1.00 0.00 H -ATOM 7009 O1 TIP3A2337 45.990 32.806 39.796 1.00 0.00 O -ATOM 7010 H1 TIP3A2337 45.334 32.452 40.396 1.00 0.00 H -ATOM 7011 H2 TIP3A2337 46.567 32.066 39.606 1.00 0.00 H -ATOM 7012 O1 TIP3A2338 7.001 22.021 20.416 1.00 0.00 O -ATOM 7013 H1 TIP3A2338 7.105 21.615 19.557 1.00 0.00 H -ATOM 7014 H2 TIP3A2338 6.247 22.604 20.318 1.00 0.00 H -ATOM 7015 O1 TIP3A2339 49.585 23.568 36.276 1.00 0.00 O -ATOM 7016 H1 TIP3A2339 49.578 23.743 37.216 1.00 0.00 H -ATOM 7017 H2 TIP3A2339 49.914 22.672 36.200 1.00 0.00 H -ATOM 7018 O1 TIP3A2340 37.080 46.769 32.089 1.00 0.00 O -ATOM 7019 H1 TIP3A2340 37.403 46.506 32.950 1.00 0.00 H -ATOM 7020 H2 TIP3A2340 37.862 47.055 31.615 1.00 0.00 H -ATOM 7021 O1 TIP3A2341 6.073 28.265 0.548 1.00 0.00 O -ATOM 7022 H1 TIP3A2341 5.507 27.531 0.311 1.00 0.00 H -ATOM 7023 H2 TIP3A2341 5.769 28.989 -0.000 1.00 0.00 H -ATOM 7024 O1 TIP3A2342 27.336 39.047 8.197 1.00 0.00 O -ATOM 7025 H1 TIP3A2342 27.943 39.212 8.918 1.00 0.00 H -ATOM 7026 H2 TIP3A2342 27.364 38.098 8.073 1.00 0.00 H -ATOM 7027 O1 TIP3A2343 33.487 5.366 13.173 1.00 0.00 O -ATOM 7028 H1 TIP3A2343 33.782 5.067 14.033 1.00 0.00 H -ATOM 7029 H2 TIP3A2343 32.547 5.184 13.165 1.00 0.00 H -ATOM 7030 O1 TIP3A2344 46.801 40.235 28.696 1.00 0.00 O -ATOM 7031 H1 TIP3A2344 46.719 40.272 27.744 1.00 0.00 H -ATOM 7032 H2 TIP3A2344 46.536 39.344 28.926 1.00 0.00 H -ATOM 7033 O1 TIP3A2345 18.606 42.436 23.354 1.00 0.00 O -ATOM 7034 H1 TIP3A2345 18.384 41.511 23.452 1.00 0.00 H -ATOM 7035 H2 TIP3A2345 18.092 42.727 22.600 1.00 0.00 H -ATOM 7036 O1 TIP3A2346 8.664 57.768 47.907 1.00 0.00 O -ATOM 7037 H1 TIP3A2346 9.142 56.939 47.924 1.00 0.00 H -ATOM 7038 H2 TIP3A2346 8.145 57.730 47.103 1.00 0.00 H -ATOM 7039 O1 TIP3A2347 51.031 32.381 41.767 1.00 0.00 O -ATOM 7040 H1 TIP3A2347 50.543 31.578 41.945 1.00 0.00 H -ATOM 7041 H2 TIP3A2347 50.640 32.728 40.965 1.00 0.00 H -ATOM 7042 O1 TIP3A2348 27.753 39.741 36.241 1.00 0.00 O -ATOM 7043 H1 TIP3A2348 27.573 38.941 36.734 1.00 0.00 H -ATOM 7044 H2 TIP3A2348 27.249 40.420 36.691 1.00 0.00 H -ATOM 7045 O1 TIP3A2349 32.595 40.998 55.310 1.00 0.00 O -ATOM 7046 H1 TIP3A2349 32.496 41.083 56.258 1.00 0.00 H -ATOM 7047 H2 TIP3A2349 31.770 41.326 54.952 1.00 0.00 H -ATOM 7048 O1 TIP3A2350 18.102 25.691 41.765 1.00 0.00 O -ATOM 7049 H1 TIP3A2350 17.929 26.622 41.629 1.00 0.00 H -ATOM 7050 H2 TIP3A2350 18.934 25.533 41.318 1.00 0.00 H -ATOM 7051 O1 TIP3A2351 10.408 31.311 21.196 1.00 0.00 O -ATOM 7052 H1 TIP3A2351 10.161 32.143 21.599 1.00 0.00 H -ATOM 7053 H2 TIP3A2351 11.299 31.454 20.877 1.00 0.00 H -ATOM 7054 O1 TIP3A2352 46.811 27.572 33.459 1.00 0.00 O -ATOM 7055 H1 TIP3A2352 46.801 26.615 33.472 1.00 0.00 H -ATOM 7056 H2 TIP3A2352 45.920 27.818 33.208 1.00 0.00 H -ATOM 7057 O1 TIP3A2353 52.445 6.676 46.611 1.00 0.00 O -ATOM 7058 H1 TIP3A2353 51.802 7.274 46.990 1.00 0.00 H -ATOM 7059 H2 TIP3A2353 53.010 7.237 46.078 1.00 0.00 H -ATOM 7060 O1 TIP3A2354 49.364 9.732 34.389 1.00 0.00 O -ATOM 7061 H1 TIP3A2354 49.897 8.938 34.408 1.00 0.00 H -ATOM 7062 H2 TIP3A2354 49.762 10.304 35.046 1.00 0.00 H -ATOM 7063 O1 TIP3A2355 18.271 15.182 19.272 1.00 0.00 O -ATOM 7064 H1 TIP3A2355 18.943 15.851 19.400 1.00 0.00 H -ATOM 7065 H2 TIP3A2355 17.455 15.676 19.180 1.00 0.00 H -ATOM 7066 O1 TIP3A2356 22.894 56.431 14.341 1.00 0.00 O -ATOM 7067 H1 TIP3A2356 21.950 56.555 14.438 1.00 0.00 H -ATOM 7068 H2 TIP3A2356 23.097 55.684 14.905 1.00 0.00 H -ATOM 7069 O1 TIP3A2357 0.061 33.784 38.624 1.00 0.00 O -ATOM 7070 H1 TIP3A2357 -0.000 32.913 39.016 1.00 0.00 H -ATOM 7071 H2 TIP3A2357 0.057 34.384 39.371 1.00 0.00 H -ATOM 7072 O1 TIP3A2358 26.473 0.332 0.670 1.00 0.00 O -ATOM 7073 H1 TIP3A2358 27.264 0.869 0.683 1.00 0.00 H -ATOM 7074 H2 TIP3A2358 25.781 0.930 0.387 1.00 0.00 H -ATOM 7075 O1 TIP3A2359 41.075 11.499 57.144 1.00 0.00 O -ATOM 7076 H1 TIP3A2359 41.310 10.593 56.949 1.00 0.00 H -ATOM 7077 H2 TIP3A2359 40.341 11.430 57.756 1.00 0.00 H -ATOM 7078 O1 TIP3A2360 8.138 39.448 53.832 1.00 0.00 O -ATOM 7079 H1 TIP3A2360 7.225 39.723 53.761 1.00 0.00 H -ATOM 7080 H2 TIP3A2360 8.129 38.748 54.485 1.00 0.00 H -ATOM 7081 O1 TIP3A2361 46.809 27.795 29.308 1.00 0.00 O -ATOM 7082 H1 TIP3A2361 46.086 27.170 29.255 1.00 0.00 H -ATOM 7083 H2 TIP3A2361 47.395 27.429 29.971 1.00 0.00 H -ATOM 7084 O1 TIP3A2362 23.197 35.845 36.793 1.00 0.00 O -ATOM 7085 H1 TIP3A2362 23.952 36.432 36.821 1.00 0.00 H -ATOM 7086 H2 TIP3A2362 22.852 35.941 35.905 1.00 0.00 H -ATOM 7087 O1 TIP3A2363 38.892 33.038 2.569 1.00 0.00 O -ATOM 7088 H1 TIP3A2363 38.427 32.357 2.084 1.00 0.00 H -ATOM 7089 H2 TIP3A2363 39.356 32.565 3.261 1.00 0.00 H -ATOM 7090 O1 TIP3A2364 6.344 52.423 51.173 1.00 0.00 O -ATOM 7091 H1 TIP3A2364 6.732 52.568 52.035 1.00 0.00 H -ATOM 7092 H2 TIP3A2364 5.548 51.921 51.349 1.00 0.00 H -ATOM 7093 O1 TIP3A2365 36.422 36.399 40.368 1.00 0.00 O -ATOM 7094 H1 TIP3A2365 36.525 37.332 40.182 1.00 0.00 H -ATOM 7095 H2 TIP3A2365 36.793 35.959 39.603 1.00 0.00 H -ATOM 7096 O1 TIP3A2366 22.120 35.801 18.156 1.00 0.00 O -ATOM 7097 H1 TIP3A2366 21.214 35.801 18.464 1.00 0.00 H -ATOM 7098 H2 TIP3A2366 22.317 36.724 17.992 1.00 0.00 H -ATOM 7099 O1 TIP3A2367 47.080 12.711 46.390 1.00 0.00 O -ATOM 7100 H1 TIP3A2367 47.295 11.932 45.878 1.00 0.00 H -ATOM 7101 H2 TIP3A2367 46.227 12.991 46.056 1.00 0.00 H -ATOM 7102 O1 TIP3A2368 35.896 43.520 36.270 1.00 0.00 O -ATOM 7103 H1 TIP3A2368 35.126 43.926 36.667 1.00 0.00 H -ATOM 7104 H2 TIP3A2368 36.156 44.126 35.575 1.00 0.00 H -ATOM 7105 O1 TIP3A2369 29.829 7.450 52.294 1.00 0.00 O -ATOM 7106 H1 TIP3A2369 29.590 7.988 51.540 1.00 0.00 H -ATOM 7107 H2 TIP3A2369 30.240 6.673 51.915 1.00 0.00 H -ATOM 7108 O1 TIP3A2370 56.903 31.230 52.386 1.00 0.00 O -ATOM 7109 H1 TIP3A2370 56.985 31.718 51.567 1.00 0.00 H -ATOM 7110 H2 TIP3A2370 56.587 31.875 53.019 1.00 0.00 H -ATOM 7111 O1 TIP3A2371 51.094 26.873 24.289 1.00 0.00 O -ATOM 7112 H1 TIP3A2371 50.572 26.737 25.080 1.00 0.00 H -ATOM 7113 H2 TIP3A2371 50.890 26.120 23.734 1.00 0.00 H -ATOM 7114 O1 TIP3A2372 48.005 25.806 23.430 1.00 0.00 O -ATOM 7115 H1 TIP3A2372 48.647 25.142 23.182 1.00 0.00 H -ATOM 7116 H2 TIP3A2372 47.205 25.312 23.608 1.00 0.00 H -ATOM 7117 O1 TIP3A2373 41.807 5.416 18.818 1.00 0.00 O -ATOM 7118 H1 TIP3A2373 42.441 5.600 19.509 1.00 0.00 H -ATOM 7119 H2 TIP3A2373 41.144 6.100 18.912 1.00 0.00 H -ATOM 7120 O1 TIP3A2374 25.113 42.103 16.439 1.00 0.00 O -ATOM 7121 H1 TIP3A2374 24.451 42.250 15.764 1.00 0.00 H -ATOM 7122 H2 TIP3A2374 25.776 42.774 16.275 1.00 0.00 H -ATOM 7123 O1 TIP3A2375 45.565 53.715 37.854 1.00 0.00 O -ATOM 7124 H1 TIP3A2375 46.095 53.474 37.094 1.00 0.00 H -ATOM 7125 H2 TIP3A2375 45.703 54.658 37.953 1.00 0.00 H -ATOM 7126 O1 TIP3A2376 45.115 24.655 33.935 1.00 0.00 O -ATOM 7127 H1 TIP3A2376 44.906 25.586 33.998 1.00 0.00 H -ATOM 7128 H2 TIP3A2376 45.825 24.612 33.293 1.00 0.00 H -ATOM 7129 O1 TIP3A2377 45.359 12.159 39.407 1.00 0.00 O -ATOM 7130 H1 TIP3A2377 46.298 12.209 39.580 1.00 0.00 H -ATOM 7131 H2 TIP3A2377 44.949 12.416 40.234 1.00 0.00 H -ATOM 7132 O1 TIP3A2378 42.247 9.344 38.277 1.00 0.00 O -ATOM 7133 H1 TIP3A2378 42.901 8.668 38.453 1.00 0.00 H -ATOM 7134 H2 TIP3A2378 41.823 9.495 39.122 1.00 0.00 H -ATOM 7135 O1 TIP3A2379 56.640 18.602 17.458 1.00 0.00 O -ATOM 7136 H1 TIP3A2379 55.950 18.691 16.802 1.00 0.00 H -ATOM 7137 H2 TIP3A2379 56.337 17.895 18.030 1.00 0.00 H -ATOM 7138 O1 TIP3A2380 57.676 23.522 45.677 1.00 0.00 O -ATOM 7139 H1 TIP3A2380 58.000 24.411 45.821 1.00 0.00 H -ATOM 7140 H2 TIP3A2380 57.037 23.383 46.377 1.00 0.00 H -ATOM 7141 O1 TIP3A2381 42.145 30.080 11.495 1.00 0.00 O -ATOM 7142 H1 TIP3A2381 41.397 30.675 11.530 1.00 0.00 H -ATOM 7143 H2 TIP3A2381 42.790 30.537 10.954 1.00 0.00 H -ATOM 7144 O1 TIP3A2382 45.766 56.394 52.795 1.00 0.00 O -ATOM 7145 H1 TIP3A2382 45.501 55.524 53.091 1.00 0.00 H -ATOM 7146 H2 TIP3A2382 45.765 56.334 51.839 1.00 0.00 H -ATOM 7147 O1 TIP3A2383 41.176 12.547 24.641 1.00 0.00 O -ATOM 7148 H1 TIP3A2383 41.600 11.695 24.543 1.00 0.00 H -ATOM 7149 H2 TIP3A2383 41.647 12.968 25.361 1.00 0.00 H -ATOM 7150 O1 TIP3A2384 27.568 50.753 5.929 1.00 0.00 O -ATOM 7151 H1 TIP3A2384 27.087 50.407 5.178 1.00 0.00 H -ATOM 7152 H2 TIP3A2384 28.444 50.374 5.847 1.00 0.00 H -ATOM 7153 O1 TIP3A2385 42.551 54.610 53.423 1.00 0.00 O -ATOM 7154 H1 TIP3A2385 43.396 55.040 53.543 1.00 0.00 H -ATOM 7155 H2 TIP3A2385 42.762 53.780 52.994 1.00 0.00 H -ATOM 7156 O1 TIP3A2386 9.598 45.140 32.711 1.00 0.00 O -ATOM 7157 H1 TIP3A2386 9.773 44.206 32.597 1.00 0.00 H -ATOM 7158 H2 TIP3A2386 8.996 45.360 32.000 1.00 0.00 H -ATOM 7159 O1 TIP3A2387 4.931 6.494 10.230 1.00 0.00 O -ATOM 7160 H1 TIP3A2387 4.925 6.315 9.291 1.00 0.00 H -ATOM 7161 H2 TIP3A2387 4.790 5.639 10.639 1.00 0.00 H -ATOM 7162 O1 TIP3A2388 25.877 49.656 30.087 1.00 0.00 O -ATOM 7163 H1 TIP3A2388 25.776 50.540 29.735 1.00 0.00 H -ATOM 7164 H2 TIP3A2388 26.746 49.656 30.488 1.00 0.00 H -ATOM 7165 O1 TIP3A2389 55.172 21.605 13.661 1.00 0.00 O -ATOM 7166 H1 TIP3A2389 54.410 21.899 13.163 1.00 0.00 H -ATOM 7167 H2 TIP3A2389 55.778 22.347 13.634 1.00 0.00 H -ATOM 7168 O1 TIP3A2390 50.293 26.153 1.296 1.00 0.00 O -ATOM 7169 H1 TIP3A2390 50.083 27.086 1.334 1.00 0.00 H -ATOM 7170 H2 TIP3A2390 49.758 25.759 1.986 1.00 0.00 H -ATOM 7171 O1 TIP3A2391 50.561 15.676 21.095 1.00 0.00 O -ATOM 7172 H1 TIP3A2391 51.287 16.061 20.605 1.00 0.00 H -ATOM 7173 H2 TIP3A2391 49.775 16.013 20.662 1.00 0.00 H -ATOM 7174 O1 TIP3A2392 27.681 36.881 14.451 1.00 0.00 O -ATOM 7175 H1 TIP3A2392 28.590 36.729 14.194 1.00 0.00 H -ATOM 7176 H2 TIP3A2392 27.618 36.519 15.336 1.00 0.00 H -ATOM 7177 O1 TIP3A2393 0.388 10.179 29.660 1.00 0.00 O -ATOM 7178 H1 TIP3A2393 0.794 9.683 30.370 1.00 0.00 H -ATOM 7179 H2 TIP3A2393 0.460 9.607 28.896 1.00 0.00 H -ATOM 7180 O1 TIP3A2394 25.070 4.800 31.738 1.00 0.00 O -ATOM 7181 H1 TIP3A2394 24.114 4.775 31.767 1.00 0.00 H -ATOM 7182 H2 TIP3A2394 25.278 5.684 31.432 1.00 0.00 H -ATOM 7183 O1 TIP3A2395 40.331 20.853 23.794 1.00 0.00 O -ATOM 7184 H1 TIP3A2395 39.681 20.246 23.440 1.00 0.00 H -ATOM 7185 H2 TIP3A2395 40.410 20.610 24.717 1.00 0.00 H -ATOM 7186 O1 TIP3A2396 11.592 20.567 6.209 1.00 0.00 O -ATOM 7187 H1 TIP3A2396 10.972 21.054 6.750 1.00 0.00 H -ATOM 7188 H2 TIP3A2396 11.507 19.660 6.503 1.00 0.00 H -ATOM 7189 O1 TIP3A2397 25.316 35.820 46.524 1.00 0.00 O -ATOM 7190 H1 TIP3A2397 25.381 36.772 46.601 1.00 0.00 H -ATOM 7191 H2 TIP3A2397 24.591 35.582 47.103 1.00 0.00 H -ATOM 7192 O1 TIP3A2398 4.208 20.104 50.798 1.00 0.00 O -ATOM 7193 H1 TIP3A2398 4.670 20.811 50.348 1.00 0.00 H -ATOM 7194 H2 TIP3A2398 4.778 19.874 51.532 1.00 0.00 H -ATOM 7195 O1 TIP3A2399 7.238 18.323 32.846 1.00 0.00 O -ATOM 7196 H1 TIP3A2399 7.451 18.970 32.175 1.00 0.00 H -ATOM 7197 H2 TIP3A2399 7.264 18.813 33.669 1.00 0.00 H -ATOM 7198 O1 TIP3A2400 51.394 35.304 37.156 1.00 0.00 O -ATOM 7199 H1 TIP3A2400 52.151 34.870 36.764 1.00 0.00 H -ATOM 7200 H2 TIP3A2400 51.681 35.538 38.039 1.00 0.00 H -ATOM 7201 O1 TIP3A2401 7.553 29.112 36.227 1.00 0.00 O -ATOM 7202 H1 TIP3A2401 6.981 29.816 36.531 1.00 0.00 H -ATOM 7203 H2 TIP3A2401 7.233 28.908 35.347 1.00 0.00 H -ATOM 7204 O1 TIP3A2402 44.484 40.581 14.834 1.00 0.00 O -ATOM 7205 H1 TIP3A2402 44.983 39.798 14.604 1.00 0.00 H -ATOM 7206 H2 TIP3A2402 43.703 40.539 14.282 1.00 0.00 H -ATOM 7207 O1 TIP3A2403 53.039 53.328 24.081 1.00 0.00 O -ATOM 7208 H1 TIP3A2403 52.089 53.274 24.181 1.00 0.00 H -ATOM 7209 H2 TIP3A2403 53.374 52.565 24.552 1.00 0.00 H -ATOM 7210 O1 TIP3A2404 25.663 16.430 25.824 1.00 0.00 O -ATOM 7211 H1 TIP3A2404 25.813 15.669 25.263 1.00 0.00 H -ATOM 7212 H2 TIP3A2404 24.913 16.876 25.429 1.00 0.00 H -ATOM 7213 O1 TIP3A2405 55.226 2.516 5.263 1.00 0.00 O -ATOM 7214 H1 TIP3A2405 54.696 1.862 4.809 1.00 0.00 H -ATOM 7215 H2 TIP3A2405 56.130 2.235 5.120 1.00 0.00 H -ATOM 7216 O1 TIP3A2406 44.062 23.021 23.905 1.00 0.00 O -ATOM 7217 H1 TIP3A2406 44.362 23.031 22.997 1.00 0.00 H -ATOM 7218 H2 TIP3A2406 43.466 22.273 23.953 1.00 0.00 H -ATOM 7219 O1 TIP3A2407 8.144 3.619 17.024 1.00 0.00 O -ATOM 7220 H1 TIP3A2407 7.779 2.815 17.392 1.00 0.00 H -ATOM 7221 H2 TIP3A2407 7.390 4.202 16.927 1.00 0.00 H -ATOM 7222 O1 TIP3A2408 33.740 49.242 41.038 1.00 0.00 O -ATOM 7223 H1 TIP3A2408 34.169 49.773 41.709 1.00 0.00 H -ATOM 7224 H2 TIP3A2408 34.137 49.530 40.215 1.00 0.00 H -ATOM 7225 O1 TIP3A2409 7.292 45.992 45.615 1.00 0.00 O -ATOM 7226 H1 TIP3A2409 8.100 45.771 46.077 1.00 0.00 H -ATOM 7227 H2 TIP3A2409 6.693 45.275 45.823 1.00 0.00 H -ATOM 7228 O1 TIP3A2410 33.991 44.274 51.233 1.00 0.00 O -ATOM 7229 H1 TIP3A2410 34.812 43.783 51.271 1.00 0.00 H -ATOM 7230 H2 TIP3A2410 33.486 43.843 50.543 1.00 0.00 H -ATOM 7231 O1 TIP3A2411 40.992 57.284 54.201 1.00 0.00 O -ATOM 7232 H1 TIP3A2411 41.308 56.394 54.046 1.00 0.00 H -ATOM 7233 H2 TIP3A2411 41.620 57.657 54.821 1.00 0.00 H -ATOM 7234 O1 TIP3A2412 39.430 43.721 34.200 1.00 0.00 O -ATOM 7235 H1 TIP3A2412 39.835 44.491 34.598 1.00 0.00 H -ATOM 7236 H2 TIP3A2412 39.555 43.843 33.259 1.00 0.00 H -ATOM 7237 O1 TIP3A2413 6.811 14.398 29.585 1.00 0.00 O -ATOM 7238 H1 TIP3A2413 7.723 14.456 29.870 1.00 0.00 H -ATOM 7239 H2 TIP3A2413 6.802 13.678 28.954 1.00 0.00 H -ATOM 7240 O1 TIP3A2414 52.853 23.204 49.497 1.00 0.00 O -ATOM 7241 H1 TIP3A2414 53.503 23.709 49.984 1.00 0.00 H -ATOM 7242 H2 TIP3A2414 53.235 22.330 49.421 1.00 0.00 H -ATOM 7243 O1 TIP3A2415 21.752 10.190 52.148 1.00 0.00 O -ATOM 7244 H1 TIP3A2415 21.532 10.096 53.074 1.00 0.00 H -ATOM 7245 H2 TIP3A2415 22.360 9.472 51.971 1.00 0.00 H -ATOM 7246 O1 TIP3A2416 25.228 56.169 34.479 1.00 0.00 O -ATOM 7247 H1 TIP3A2416 25.432 55.243 34.358 1.00 0.00 H -ATOM 7248 H2 TIP3A2416 25.866 56.473 35.125 1.00 0.00 H -ATOM 7249 O1 TIP3A2417 12.282 5.847 6.532 1.00 0.00 O -ATOM 7250 H1 TIP3A2417 13.120 5.984 6.973 1.00 0.00 H -ATOM 7251 H2 TIP3A2417 11.638 6.264 7.106 1.00 0.00 H -ATOM 7252 O1 TIP3A2418 48.625 57.539 52.212 1.00 0.00 O -ATOM 7253 H1 TIP3A2418 49.390 57.679 52.769 1.00 0.00 H -ATOM 7254 H2 TIP3A2418 48.831 58.003 51.400 1.00 0.00 H -ATOM 7255 O1 TIP3A2419 58.021 9.568 4.531 1.00 0.00 O -ATOM 7256 H1 TIP3A2419 57.506 8.871 4.127 1.00 0.00 H -ATOM 7257 H2 TIP3A2419 57.781 10.357 4.045 1.00 0.00 H -ATOM 7258 O1 TIP3A2420 48.371 44.125 15.778 1.00 0.00 O -ATOM 7259 H1 TIP3A2420 47.672 43.958 16.409 1.00 0.00 H -ATOM 7260 H2 TIP3A2420 48.939 43.356 15.840 1.00 0.00 H -ATOM 7261 O1 TIP3A2421 21.733 13.373 12.710 1.00 0.00 O -ATOM 7262 H1 TIP3A2421 22.210 13.558 13.519 1.00 0.00 H -ATOM 7263 H2 TIP3A2421 21.211 14.161 12.554 1.00 0.00 H -ATOM 7264 O1 TIP3A2422 38.354 44.399 13.433 1.00 0.00 O -ATOM 7265 H1 TIP3A2422 39.117 44.151 12.912 1.00 0.00 H -ATOM 7266 H2 TIP3A2422 38.469 43.936 14.264 1.00 0.00 H -ATOM 7267 O1 TIP3A2423 27.114 42.144 43.083 1.00 0.00 O -ATOM 7268 H1 TIP3A2423 26.793 43.045 43.094 1.00 0.00 H -ATOM 7269 H2 TIP3A2423 27.850 42.159 42.471 1.00 0.00 H -ATOM 7270 O1 TIP3A2424 38.754 37.020 22.049 1.00 0.00 O -ATOM 7271 H1 TIP3A2424 38.770 36.878 22.995 1.00 0.00 H -ATOM 7272 H2 TIP3A2424 39.488 36.502 21.716 1.00 0.00 H -ATOM 7273 O1 TIP3A2425 9.241 29.576 46.053 1.00 0.00 O -ATOM 7274 H1 TIP3A2425 8.526 28.946 45.970 1.00 0.00 H -ATOM 7275 H2 TIP3A2425 9.856 29.163 46.659 1.00 0.00 H -ATOM 7276 O1 TIP3A2426 30.915 28.766 44.871 1.00 0.00 O -ATOM 7277 H1 TIP3A2426 31.613 28.472 44.285 1.00 0.00 H -ATOM 7278 H2 TIP3A2426 31.136 28.380 45.719 1.00 0.00 H -ATOM 7279 O1 TIP3A2427 57.361 38.316 10.594 1.00 0.00 O -ATOM 7280 H1 TIP3A2427 58.000 38.149 11.286 1.00 0.00 H -ATOM 7281 H2 TIP3A2427 56.834 39.044 10.926 1.00 0.00 H -ATOM 7282 O1 TIP3A2428 33.158 19.665 35.872 1.00 0.00 O -ATOM 7283 H1 TIP3A2428 32.998 18.722 35.853 1.00 0.00 H -ATOM 7284 H2 TIP3A2428 33.171 19.926 34.951 1.00 0.00 H -ATOM 7285 O1 TIP3A2429 35.228 39.299 42.060 1.00 0.00 O -ATOM 7286 H1 TIP3A2429 36.146 39.551 41.969 1.00 0.00 H -ATOM 7287 H2 TIP3A2429 34.950 39.073 41.172 1.00 0.00 H -ATOM 7288 O1 TIP3A2430 36.526 46.559 16.633 1.00 0.00 O -ATOM 7289 H1 TIP3A2430 36.286 47.216 15.981 1.00 0.00 H -ATOM 7290 H2 TIP3A2430 37.050 45.919 16.148 1.00 0.00 H -ATOM 7291 O1 TIP3A2431 0.782 20.864 23.210 1.00 0.00 O -ATOM 7292 H1 TIP3A2431 1.292 21.454 23.765 1.00 0.00 H -ATOM 7293 H2 TIP3A2431 0.836 21.251 22.335 1.00 0.00 H -ATOM 7294 O1 TIP3A2432 29.959 56.727 25.291 1.00 0.00 O -ATOM 7295 H1 TIP3A2432 30.306 57.611 25.173 1.00 0.00 H -ATOM 7296 H2 TIP3A2432 30.557 56.315 25.916 1.00 0.00 H -ATOM 7297 O1 TIP3A2433 24.316 39.592 8.245 1.00 0.00 O -ATOM 7298 H1 TIP3A2433 25.154 39.131 8.218 1.00 0.00 H -ATOM 7299 H2 TIP3A2433 23.740 39.075 7.681 1.00 0.00 H -ATOM 7300 O1 TIP3A2434 38.120 19.759 0.511 1.00 0.00 O -ATOM 7301 H1 TIP3A2434 37.340 19.773 1.065 1.00 0.00 H -ATOM 7302 H2 TIP3A2434 38.676 20.455 0.862 1.00 0.00 H -ATOM 7303 O1 TIP3A2435 33.437 28.559 52.367 1.00 0.00 O -ATOM 7304 H1 TIP3A2435 33.560 28.437 51.426 1.00 0.00 H -ATOM 7305 H2 TIP3A2435 34.259 28.258 52.757 1.00 0.00 H -ATOM 7306 O1 TIP3A2436 12.581 57.437 29.811 1.00 0.00 O -ATOM 7307 H1 TIP3A2436 13.227 57.953 30.293 1.00 0.00 H -ATOM 7308 H2 TIP3A2436 11.768 57.551 30.303 1.00 0.00 H -ATOM 7309 O1 TIP3A2437 50.155 24.622 54.010 1.00 0.00 O -ATOM 7310 H1 TIP3A2437 49.213 24.785 54.006 1.00 0.00 H -ATOM 7311 H2 TIP3A2437 50.267 23.877 54.602 1.00 0.00 H -ATOM 7312 O1 TIP3A2438 40.193 12.826 19.961 1.00 0.00 O -ATOM 7313 H1 TIP3A2438 40.045 12.020 20.454 1.00 0.00 H -ATOM 7314 H2 TIP3A2438 39.343 13.267 19.960 1.00 0.00 H -ATOM 7315 O1 TIP3A2439 39.084 2.792 52.828 1.00 0.00 O -ATOM 7316 H1 TIP3A2439 38.416 3.475 52.771 1.00 0.00 H -ATOM 7317 H2 TIP3A2439 39.725 3.027 52.156 1.00 0.00 H -ATOM 7318 O1 TIP3A2440 15.566 33.889 57.566 1.00 0.00 O -ATOM 7319 H1 TIP3A2440 14.889 34.396 58.012 1.00 0.00 H -ATOM 7320 H2 TIP3A2440 16.382 34.146 57.997 1.00 0.00 H -ATOM 7321 O1 TIP3A2441 52.182 22.325 37.715 1.00 0.00 O -ATOM 7322 H1 TIP3A2441 52.922 21.811 37.394 1.00 0.00 H -ATOM 7323 H2 TIP3A2441 52.047 22.996 37.045 1.00 0.00 H -ATOM 7324 O1 TIP3A2442 45.574 5.926 21.002 1.00 0.00 O -ATOM 7325 H1 TIP3A2442 44.964 5.204 20.854 1.00 0.00 H -ATOM 7326 H2 TIP3A2442 46.060 5.671 21.787 1.00 0.00 H -ATOM 7327 O1 TIP3A2443 55.372 45.978 2.233 1.00 0.00 O -ATOM 7328 H1 TIP3A2443 55.705 45.086 2.140 1.00 0.00 H -ATOM 7329 H2 TIP3A2443 55.976 46.397 2.847 1.00 0.00 H -ATOM 7330 O1 TIP3A2444 20.434 24.512 43.715 1.00 0.00 O -ATOM 7331 H1 TIP3A2444 21.049 25.211 43.933 1.00 0.00 H -ATOM 7332 H2 TIP3A2444 19.580 24.852 43.982 1.00 0.00 H -ATOM 7333 O1 TIP3A2445 30.899 23.487 4.763 1.00 0.00 O -ATOM 7334 H1 TIP3A2445 31.294 23.779 5.583 1.00 0.00 H -ATOM 7335 H2 TIP3A2445 31.478 23.831 4.081 1.00 0.00 H -ATOM 7336 O1 TIP3A2446 10.816 54.288 41.614 1.00 0.00 O -ATOM 7337 H1 TIP3A2446 11.351 53.644 41.151 1.00 0.00 H -ATOM 7338 H2 TIP3A2446 9.923 54.120 41.313 1.00 0.00 H -ATOM 7339 O1 TIP3A2447 40.579 46.857 56.109 1.00 0.00 O -ATOM 7340 H1 TIP3A2447 40.899 47.758 56.082 1.00 0.00 H -ATOM 7341 H2 TIP3A2447 40.816 46.492 55.255 1.00 0.00 H -ATOM 7342 O1 TIP3A2448 1.437 20.118 14.374 1.00 0.00 O -ATOM 7343 H1 TIP3A2448 1.283 19.310 14.863 1.00 0.00 H -ATOM 7344 H2 TIP3A2448 2.390 20.211 14.358 1.00 0.00 H -ATOM 7345 O1 TIP3A2449 11.568 28.290 45.495 1.00 0.00 O -ATOM 7346 H1 TIP3A2449 10.995 27.568 45.239 1.00 0.00 H -ATOM 7347 H2 TIP3A2449 12.018 27.974 46.279 1.00 0.00 H -ATOM 7348 O1 TIP3A2450 8.584 41.135 7.046 1.00 0.00 O -ATOM 7349 H1 TIP3A2450 8.770 40.198 7.009 1.00 0.00 H -ATOM 7350 H2 TIP3A2450 8.842 41.466 6.186 1.00 0.00 H -ATOM 7351 O1 TIP3A2451 5.294 3.052 11.182 1.00 0.00 O -ATOM 7352 H1 TIP3A2451 5.825 2.297 11.433 1.00 0.00 H -ATOM 7353 H2 TIP3A2451 5.663 3.781 11.681 1.00 0.00 H -ATOM 7354 O1 TIP3A2452 33.706 34.915 29.053 1.00 0.00 O -ATOM 7355 H1 TIP3A2452 34.030 34.374 28.334 1.00 0.00 H -ATOM 7356 H2 TIP3A2452 33.611 35.789 28.671 1.00 0.00 H -ATOM 7357 O1 TIP3A2453 28.337 51.655 29.332 1.00 0.00 O -ATOM 7358 H1 TIP3A2453 29.216 51.877 29.635 1.00 0.00 H -ATOM 7359 H2 TIP3A2453 28.480 51.078 28.581 1.00 0.00 H -ATOM 7360 O1 TIP3A2454 5.842 56.072 13.104 1.00 0.00 O -ATOM 7361 H1 TIP3A2454 6.720 55.750 12.901 1.00 0.00 H -ATOM 7362 H2 TIP3A2454 5.846 56.196 14.054 1.00 0.00 H -ATOM 7363 O1 TIP3A2455 27.681 26.294 22.207 1.00 0.00 O -ATOM 7364 H1 TIP3A2455 27.111 27.039 22.390 1.00 0.00 H -ATOM 7365 H2 TIP3A2455 27.863 26.355 21.269 1.00 0.00 H -ATOM 7366 O1 TIP3A2456 10.723 29.510 18.468 1.00 0.00 O -ATOM 7367 H1 TIP3A2456 10.867 28.630 18.815 1.00 0.00 H -ATOM 7368 H2 TIP3A2456 10.094 29.907 19.071 1.00 0.00 H -ATOM 7369 O1 TIP3A2457 42.009 0.350 2.224 1.00 0.00 O -ATOM 7370 H1 TIP3A2457 42.543 0.362 1.430 1.00 0.00 H -ATOM 7371 H2 TIP3A2457 42.603 0.637 2.918 1.00 0.00 H -ATOM 7372 O1 TIP3A2458 44.800 55.844 26.486 1.00 0.00 O -ATOM 7373 H1 TIP3A2458 44.574 56.190 25.624 1.00 0.00 H -ATOM 7374 H2 TIP3A2458 43.956 55.666 26.902 1.00 0.00 H -ATOM 7375 O1 TIP3A2459 48.559 47.176 7.618 1.00 0.00 O -ATOM 7376 H1 TIP3A2459 48.026 46.924 8.371 1.00 0.00 H -ATOM 7377 H2 TIP3A2459 48.783 48.094 7.778 1.00 0.00 H -ATOM 7378 O1 TIP3A2460 6.005 33.022 1.986 1.00 0.00 O -ATOM 7379 H1 TIP3A2460 5.440 32.491 1.425 1.00 0.00 H -ATOM 7380 H2 TIP3A2460 5.595 32.977 2.850 1.00 0.00 H -ATOM 7381 O1 TIP3A2461 37.395 17.397 7.500 1.00 0.00 O -ATOM 7382 H1 TIP3A2461 37.844 17.909 6.828 1.00 0.00 H -ATOM 7383 H2 TIP3A2461 38.079 17.180 8.134 1.00 0.00 H -ATOM 7384 O1 TIP3A2462 12.193 16.004 52.215 1.00 0.00 O -ATOM 7385 H1 TIP3A2462 11.630 15.702 51.503 1.00 0.00 H -ATOM 7386 H2 TIP3A2462 13.028 15.559 52.066 1.00 0.00 H -ATOM 7387 O1 TIP3A2463 4.174 12.515 13.683 1.00 0.00 O -ATOM 7388 H1 TIP3A2463 4.733 12.321 12.931 1.00 0.00 H -ATOM 7389 H2 TIP3A2463 4.718 13.058 14.253 1.00 0.00 H -ATOM 7390 O1 TIP3A2464 51.093 23.013 29.822 1.00 0.00 O -ATOM 7391 H1 TIP3A2464 51.149 23.326 30.725 1.00 0.00 H -ATOM 7392 H2 TIP3A2464 50.643 23.716 29.352 1.00 0.00 H -ATOM 7393 O1 TIP3A2465 32.196 31.396 31.603 1.00 0.00 O -ATOM 7394 H1 TIP3A2465 32.806 30.998 32.224 1.00 0.00 H -ATOM 7395 H2 TIP3A2465 31.385 31.507 32.101 1.00 0.00 H -ATOM 7396 O1 TIP3A2466 48.227 56.347 4.976 1.00 0.00 O -ATOM 7397 H1 TIP3A2466 48.692 57.156 4.763 1.00 0.00 H -ATOM 7398 H2 TIP3A2466 47.725 56.144 4.186 1.00 0.00 H -ATOM 7399 O1 TIP3A2467 16.757 31.764 48.826 1.00 0.00 O -ATOM 7400 H1 TIP3A2467 15.938 31.853 49.312 1.00 0.00 H -ATOM 7401 H2 TIP3A2467 17.124 30.931 49.124 1.00 0.00 H -ATOM 7402 O1 TIP3A2468 57.228 9.786 20.777 1.00 0.00 O -ATOM 7403 H1 TIP3A2468 57.545 10.683 20.885 1.00 0.00 H -ATOM 7404 H2 TIP3A2468 58.000 9.290 20.504 1.00 0.00 H -ATOM 7405 O1 TIP3A2469 6.121 47.144 51.980 1.00 0.00 O -ATOM 7406 H1 TIP3A2469 6.211 46.274 51.591 1.00 0.00 H -ATOM 7407 H2 TIP3A2469 7.015 47.482 52.021 1.00 0.00 H -ATOM 7408 O1 TIP3A2470 43.508 57.218 51.820 1.00 0.00 O -ATOM 7409 H1 TIP3A2470 44.085 57.906 52.151 1.00 0.00 H -ATOM 7410 H2 TIP3A2470 43.753 57.122 50.899 1.00 0.00 H -ATOM 7411 O1 TIP3A2471 3.187 57.433 21.987 1.00 0.00 O -ATOM 7412 H1 TIP3A2471 3.999 57.919 22.132 1.00 0.00 H -ATOM 7413 H2 TIP3A2471 3.465 56.520 21.905 1.00 0.00 H -ATOM 7414 O1 TIP3A2472 2.013 25.811 43.378 1.00 0.00 O -ATOM 7415 H1 TIP3A2472 2.454 24.985 43.183 1.00 0.00 H -ATOM 7416 H2 TIP3A2472 2.614 26.272 43.964 1.00 0.00 H -ATOM 7417 O1 TIP3A2473 27.714 22.844 50.161 1.00 0.00 O -ATOM 7418 H1 TIP3A2473 28.483 23.390 50.318 1.00 0.00 H -ATOM 7419 H2 TIP3A2473 27.597 22.861 49.211 1.00 0.00 H -ATOM 7420 O1 TIP3A2474 20.625 17.845 2.354 1.00 0.00 O -ATOM 7421 H1 TIP3A2474 21.415 18.384 2.376 1.00 0.00 H -ATOM 7422 H2 TIP3A2474 20.037 18.254 2.990 1.00 0.00 H -ATOM 7423 O1 TIP3A2475 45.808 9.182 36.844 1.00 0.00 O -ATOM 7424 H1 TIP3A2475 46.070 8.969 35.949 1.00 0.00 H -ATOM 7425 H2 TIP3A2475 45.675 8.332 37.264 1.00 0.00 H -ATOM 7426 O1 TIP3A2476 24.692 38.734 28.744 1.00 0.00 O -ATOM 7427 H1 TIP3A2476 24.652 39.459 29.367 1.00 0.00 H -ATOM 7428 H2 TIP3A2476 23.803 38.379 28.731 1.00 0.00 H -ATOM 7429 O1 TIP3A2477 51.598 52.188 34.861 1.00 0.00 O -ATOM 7430 H1 TIP3A2477 51.103 51.657 34.238 1.00 0.00 H -ATOM 7431 H2 TIP3A2477 51.598 53.067 34.479 1.00 0.00 H -ATOM 7432 O1 TIP3A2478 35.116 0.881 41.767 1.00 0.00 O -ATOM 7433 H1 TIP3A2478 34.591 1.676 41.861 1.00 0.00 H -ATOM 7434 H2 TIP3A2478 35.986 1.196 41.522 1.00 0.00 H -ATOM 7435 O1 TIP3A2479 36.561 47.734 50.895 1.00 0.00 O -ATOM 7436 H1 TIP3A2479 36.856 46.994 51.425 1.00 0.00 H -ATOM 7437 H2 TIP3A2479 36.238 47.336 50.086 1.00 0.00 H -ATOM 7438 O1 TIP3A2480 29.729 54.297 56.523 1.00 0.00 O -ATOM 7439 H1 TIP3A2480 30.645 54.487 56.720 1.00 0.00 H -ATOM 7440 H2 TIP3A2480 29.754 53.849 55.676 1.00 0.00 H -ATOM 7441 O1 TIP3A2481 7.495 31.053 17.804 1.00 0.00 O -ATOM 7442 H1 TIP3A2481 6.566 31.216 17.961 1.00 0.00 H -ATOM 7443 H2 TIP3A2481 7.635 30.153 18.100 1.00 0.00 H -ATOM 7444 O1 TIP3A2482 15.732 36.575 29.929 1.00 0.00 O -ATOM 7445 H1 TIP3A2482 15.725 37.325 29.335 1.00 0.00 H -ATOM 7446 H2 TIP3A2482 15.055 35.991 29.586 1.00 0.00 H -ATOM 7447 O1 TIP3A2483 43.686 42.766 50.850 1.00 0.00 O -ATOM 7448 H1 TIP3A2483 44.401 42.387 50.340 1.00 0.00 H -ATOM 7449 H2 TIP3A2483 43.059 43.073 50.193 1.00 0.00 H -ATOM 7450 O1 TIP3A2484 10.131 29.005 16.402 1.00 0.00 O -ATOM 7451 H1 TIP3A2484 9.298 29.187 15.967 1.00 0.00 H -ATOM 7452 H2 TIP3A2484 10.761 28.918 15.686 1.00 0.00 H -ATOM 7453 O1 TIP3A2485 13.540 37.079 33.578 1.00 0.00 O -ATOM 7454 H1 TIP3A2485 13.295 36.219 33.238 1.00 0.00 H -ATOM 7455 H2 TIP3A2485 13.269 37.693 32.895 1.00 0.00 H -ATOM 7456 O1 TIP3A2486 46.168 15.842 4.266 1.00 0.00 O -ATOM 7457 H1 TIP3A2486 45.371 15.322 4.174 1.00 0.00 H -ATOM 7458 H2 TIP3A2486 45.988 16.430 4.999 1.00 0.00 H -ATOM 7459 O1 TIP3A2487 36.461 53.207 51.236 1.00 0.00 O -ATOM 7460 H1 TIP3A2487 36.927 53.043 50.416 1.00 0.00 H -ATOM 7461 H2 TIP3A2487 35.574 53.445 50.964 1.00 0.00 H -ATOM 7462 O1 TIP3A2488 49.718 50.861 43.683 1.00 0.00 O -ATOM 7463 H1 TIP3A2488 49.189 50.683 44.460 1.00 0.00 H -ATOM 7464 H2 TIP3A2488 49.741 50.028 43.211 1.00 0.00 H -ATOM 7465 O1 TIP3A2489 33.841 24.472 19.104 1.00 0.00 O -ATOM 7466 H1 TIP3A2489 32.946 24.142 19.044 1.00 0.00 H -ATOM 7467 H2 TIP3A2489 34.353 23.725 19.415 1.00 0.00 H -ATOM 7468 O1 TIP3A2490 9.884 27.040 6.651 1.00 0.00 O -ATOM 7469 H1 TIP3A2490 10.717 26.570 6.677 1.00 0.00 H -ATOM 7470 H2 TIP3A2490 9.957 27.697 7.343 1.00 0.00 H -ATOM 7471 O1 TIP3A2491 7.077 23.164 8.627 1.00 0.00 O -ATOM 7472 H1 TIP3A2491 7.811 23.459 8.089 1.00 0.00 H -ATOM 7473 H2 TIP3A2491 6.962 22.243 8.393 1.00 0.00 H -ATOM 7474 O1 TIP3A2492 44.156 9.649 33.533 1.00 0.00 O -ATOM 7475 H1 TIP3A2492 43.301 9.892 33.887 1.00 0.00 H -ATOM 7476 H2 TIP3A2492 44.231 10.150 32.720 1.00 0.00 H -ATOM 7477 O1 TIP3A2493 10.416 16.998 40.809 1.00 0.00 O -ATOM 7478 H1 TIP3A2493 11.277 17.404 40.906 1.00 0.00 H -ATOM 7479 H2 TIP3A2493 10.024 17.444 40.057 1.00 0.00 H -ATOM 7480 O1 TIP3A2494 53.571 28.058 24.113 1.00 0.00 O -ATOM 7481 H1 TIP3A2494 53.768 27.560 23.320 1.00 0.00 H -ATOM 7482 H2 TIP3A2494 53.253 27.402 24.735 1.00 0.00 H -ATOM 7483 O1 TIP3A2495 57.180 45.848 16.864 1.00 0.00 O -ATOM 7484 H1 TIP3A2495 57.663 45.571 16.086 1.00 0.00 H -ATOM 7485 H2 TIP3A2495 57.169 45.073 17.427 1.00 0.00 H -ATOM 7486 O1 TIP3A2496 40.450 5.785 27.978 1.00 0.00 O -ATOM 7487 H1 TIP3A2496 40.955 4.974 28.027 1.00 0.00 H -ATOM 7488 H2 TIP3A2496 39.774 5.607 27.323 1.00 0.00 H -ATOM 7489 O1 TIP3A2497 40.083 3.167 36.835 1.00 0.00 O -ATOM 7490 H1 TIP3A2497 40.809 3.704 36.520 1.00 0.00 H -ATOM 7491 H2 TIP3A2497 39.546 3.768 37.352 1.00 0.00 H -ATOM 7492 O1 TIP3A2498 1.013 43.860 41.226 1.00 0.00 O -ATOM 7493 H1 TIP3A2498 1.841 43.381 41.260 1.00 0.00 H -ATOM 7494 H2 TIP3A2498 1.043 44.446 41.982 1.00 0.00 H -ATOM 7495 O1 TIP3A2499 46.343 28.146 40.156 1.00 0.00 O -ATOM 7496 H1 TIP3A2499 47.084 27.579 40.363 1.00 0.00 H -ATOM 7497 H2 TIP3A2499 46.176 28.630 40.966 1.00 0.00 H -ATOM 7498 O1 TIP3A2500 34.163 3.523 55.978 1.00 0.00 O -ATOM 7499 H1 TIP3A2500 34.840 3.297 56.614 1.00 0.00 H -ATOM 7500 H2 TIP3A2500 33.776 2.683 55.729 1.00 0.00 H -ATOM 7501 O1 TIP3A2501 29.541 23.736 15.784 1.00 0.00 O -ATOM 7502 H1 TIP3A2501 29.512 22.817 15.520 1.00 0.00 H -ATOM 7503 H2 TIP3A2501 30.393 23.837 16.209 1.00 0.00 H -ATOM 7504 O1 TIP3A2502 41.580 7.783 4.112 1.00 0.00 O -ATOM 7505 H1 TIP3A2502 41.343 8.508 3.534 1.00 0.00 H -ATOM 7506 H2 TIP3A2502 42.384 7.427 3.733 1.00 0.00 H -ATOM 7507 O1 TIP3A2503 32.767 43.434 52.911 1.00 0.00 O -ATOM 7508 H1 TIP3A2503 33.474 42.939 53.323 1.00 0.00 H -ATOM 7509 H2 TIP3A2503 31.992 43.225 53.433 1.00 0.00 H -ATOM 7510 O1 TIP3A2504 37.895 20.440 53.610 1.00 0.00 O -ATOM 7511 H1 TIP3A2504 38.410 21.227 53.787 1.00 0.00 H -ATOM 7512 H2 TIP3A2504 37.375 20.309 54.403 1.00 0.00 H -ATOM 7513 O1 TIP3A2505 53.016 47.097 27.244 1.00 0.00 O -ATOM 7514 H1 TIP3A2505 53.928 46.812 27.187 1.00 0.00 H -ATOM 7515 H2 TIP3A2505 53.013 47.755 27.939 1.00 0.00 H -ATOM 7516 O1 TIP3A2506 45.262 17.073 8.309 1.00 0.00 O -ATOM 7517 H1 TIP3A2506 45.060 17.345 9.204 1.00 0.00 H -ATOM 7518 H2 TIP3A2506 44.720 17.640 7.759 1.00 0.00 H -ATOM 7519 O1 TIP3A2507 47.930 43.534 50.862 1.00 0.00 O -ATOM 7520 H1 TIP3A2507 48.808 43.911 50.810 1.00 0.00 H -ATOM 7521 H2 TIP3A2507 47.955 42.784 50.267 1.00 0.00 H -ATOM 7522 O1 TIP3A2508 24.001 22.884 4.361 1.00 0.00 O -ATOM 7523 H1 TIP3A2508 23.216 23.289 3.992 1.00 0.00 H -ATOM 7524 H2 TIP3A2508 23.961 23.090 5.295 1.00 0.00 H -ATOM 7525 O1 TIP3A2509 51.717 39.833 34.026 1.00 0.00 O -ATOM 7526 H1 TIP3A2509 51.169 40.363 34.604 1.00 0.00 H -ATOM 7527 H2 TIP3A2509 51.916 40.410 33.289 1.00 0.00 H -ATOM 7528 O1 TIP3A2510 13.344 19.013 57.184 1.00 0.00 O -ATOM 7529 H1 TIP3A2510 12.924 18.648 56.405 1.00 0.00 H -ATOM 7530 H2 TIP3A2510 13.322 18.301 57.824 1.00 0.00 H -ATOM 7531 O1 TIP3A2511 12.142 49.759 33.732 1.00 0.00 O -ATOM 7532 H1 TIP3A2511 12.670 50.207 33.072 1.00 0.00 H -ATOM 7533 H2 TIP3A2511 11.389 49.420 33.248 1.00 0.00 H -ATOM 7534 O1 TIP3A2512 17.286 13.316 1.448 1.00 0.00 O -ATOM 7535 H1 TIP3A2512 16.434 12.947 1.220 1.00 0.00 H -ATOM 7536 H2 TIP3A2512 17.395 13.112 2.378 1.00 0.00 H -ATOM 7537 O1 TIP3A2513 42.439 50.798 51.149 1.00 0.00 O -ATOM 7538 H1 TIP3A2513 41.948 50.128 50.675 1.00 0.00 H -ATOM 7539 H2 TIP3A2513 42.528 51.518 50.523 1.00 0.00 H -ATOM 7540 O1 TIP3A2514 31.396 45.437 15.403 1.00 0.00 O -ATOM 7541 H1 TIP3A2514 32.238 45.509 14.955 1.00 0.00 H -ATOM 7542 H2 TIP3A2514 31.599 45.601 16.325 1.00 0.00 H -ATOM 7543 O1 TIP3A2515 26.326 28.406 53.992 1.00 0.00 O -ATOM 7544 H1 TIP3A2515 26.431 28.717 53.094 1.00 0.00 H -ATOM 7545 H2 TIP3A2515 25.380 28.311 54.105 1.00 0.00 H -ATOM 7546 O1 TIP3A2516 41.483 16.781 55.966 1.00 0.00 O -ATOM 7547 H1 TIP3A2516 40.649 17.172 55.710 1.00 0.00 H -ATOM 7548 H2 TIP3A2516 41.241 16.045 56.530 1.00 0.00 H -ATOM 7549 O1 TIP3A2517 48.315 17.826 21.644 1.00 0.00 O -ATOM 7550 H1 TIP3A2517 48.019 17.006 22.036 1.00 0.00 H -ATOM 7551 H2 TIP3A2517 49.112 18.049 22.126 1.00 0.00 H -ATOM 7552 O1 TIP3A2518 23.599 5.828 28.109 1.00 0.00 O -ATOM 7553 H1 TIP3A2518 24.334 5.507 27.587 1.00 0.00 H -ATOM 7554 H2 TIP3A2518 23.980 6.023 28.965 1.00 0.00 H -ATOM 7555 O1 TIP3A2519 37.829 46.908 35.891 1.00 0.00 O -ATOM 7556 H1 TIP3A2519 38.735 47.193 35.776 1.00 0.00 H -ATOM 7557 H2 TIP3A2519 37.401 47.126 35.063 1.00 0.00 H -ATOM 7558 O1 TIP3A2520 1.663 52.625 9.798 1.00 0.00 O -ATOM 7559 H1 TIP3A2520 2.333 52.022 10.118 1.00 0.00 H -ATOM 7560 H2 TIP3A2520 0.834 52.178 9.975 1.00 0.00 H -ATOM 7561 O1 TIP3A2521 14.161 28.017 50.969 1.00 0.00 O -ATOM 7562 H1 TIP3A2521 13.535 27.941 50.250 1.00 0.00 H -ATOM 7563 H2 TIP3A2521 13.727 27.597 51.712 1.00 0.00 H -ATOM 7564 O1 TIP3A2522 29.026 29.165 22.862 1.00 0.00 O -ATOM 7565 H1 TIP3A2522 29.408 28.289 22.830 1.00 0.00 H -ATOM 7566 H2 TIP3A2522 28.243 29.105 22.314 1.00 0.00 H -ATOM 7567 O1 TIP3A2523 27.611 18.156 39.842 1.00 0.00 O -ATOM 7568 H1 TIP3A2523 26.763 18.599 39.855 1.00 0.00 H -ATOM 7569 H2 TIP3A2523 27.442 17.300 40.237 1.00 0.00 H -ATOM 7570 O1 TIP3A2524 29.811 41.641 2.807 1.00 0.00 O -ATOM 7571 H1 TIP3A2524 30.159 41.842 1.939 1.00 0.00 H -ATOM 7572 H2 TIP3A2524 28.864 41.580 2.677 1.00 0.00 H -ATOM 7573 O1 TIP3A2525 6.713 25.465 47.208 1.00 0.00 O -ATOM 7574 H1 TIP3A2525 6.987 25.093 46.371 1.00 0.00 H -ATOM 7575 H2 TIP3A2525 5.967 26.024 46.990 1.00 0.00 H -ATOM 7576 O1 TIP3A2526 54.394 50.176 35.383 1.00 0.00 O -ATOM 7577 H1 TIP3A2526 54.955 50.806 34.931 1.00 0.00 H -ATOM 7578 H2 TIP3A2526 54.999 49.515 35.720 1.00 0.00 H -ATOM 7579 O1 TIP3A2527 34.130 10.452 24.482 1.00 0.00 O -ATOM 7580 H1 TIP3A2527 33.983 9.527 24.678 1.00 0.00 H -ATOM 7581 H2 TIP3A2527 33.596 10.620 23.705 1.00 0.00 H -ATOM 7582 O1 TIP3A2528 21.518 24.365 27.424 1.00 0.00 O -ATOM 7583 H1 TIP3A2528 20.800 24.622 26.846 1.00 0.00 H -ATOM 7584 H2 TIP3A2528 21.131 23.717 28.014 1.00 0.00 H -ATOM 7585 O1 TIP3A2529 44.790 1.270 36.752 1.00 0.00 O -ATOM 7586 H1 TIP3A2529 45.174 1.099 35.893 1.00 0.00 H -ATOM 7587 H2 TIP3A2529 45.523 1.578 37.286 1.00 0.00 H -ATOM 7588 O1 TIP3A2530 39.691 57.214 9.278 1.00 0.00 O -ATOM 7589 H1 TIP3A2530 39.311 57.959 8.813 1.00 0.00 H -ATOM 7590 H2 TIP3A2530 40.415 56.926 8.721 1.00 0.00 H -ATOM 7591 O1 TIP3A2531 23.571 32.889 36.966 1.00 0.00 O -ATOM 7592 H1 TIP3A2531 24.448 32.600 37.216 1.00 0.00 H -ATOM 7593 H2 TIP3A2531 23.407 33.659 37.511 1.00 0.00 H -ATOM 7594 O1 TIP3A2532 32.072 38.957 36.362 1.00 0.00 O -ATOM 7595 H1 TIP3A2532 32.629 38.541 37.020 1.00 0.00 H -ATOM 7596 H2 TIP3A2532 31.184 38.681 36.590 1.00 0.00 H -ATOM 7597 O1 TIP3A2533 38.526 51.111 19.830 1.00 0.00 O -ATOM 7598 H1 TIP3A2533 38.851 50.246 19.582 1.00 0.00 H -ATOM 7599 H2 TIP3A2533 37.621 50.958 20.103 1.00 0.00 H -ATOM 7600 O1 TIP3A2534 38.249 32.661 49.682 1.00 0.00 O -ATOM 7601 H1 TIP3A2534 38.370 33.508 49.253 1.00 0.00 H -ATOM 7602 H2 TIP3A2534 37.304 32.594 49.819 1.00 0.00 H -ATOM 7603 O1 TIP3A2535 7.703 3.639 51.743 1.00 0.00 O -ATOM 7604 H1 TIP3A2535 6.852 3.501 51.330 1.00 0.00 H -ATOM 7605 H2 TIP3A2535 7.646 4.516 52.125 1.00 0.00 H -ATOM 7606 O1 TIP3A2536 29.312 20.767 50.455 1.00 0.00 O -ATOM 7607 H1 TIP3A2536 29.271 20.258 49.646 1.00 0.00 H -ATOM 7608 H2 TIP3A2536 29.210 20.119 51.153 1.00 0.00 H -ATOM 7609 O1 TIP3A2537 34.667 2.363 45.025 1.00 0.00 O -ATOM 7610 H1 TIP3A2537 34.750 1.575 44.488 1.00 0.00 H -ATOM 7611 H2 TIP3A2537 34.036 2.909 44.554 1.00 0.00 H -ATOM 7612 O1 TIP3A2538 18.723 4.834 34.924 1.00 0.00 O -ATOM 7613 H1 TIP3A2538 17.783 4.672 35.002 1.00 0.00 H -ATOM 7614 H2 TIP3A2538 18.855 5.040 33.998 1.00 0.00 H -ATOM 7615 O1 TIP3A2539 43.749 53.852 51.016 1.00 0.00 O -ATOM 7616 H1 TIP3A2539 44.550 54.358 51.145 1.00 0.00 H -ATOM 7617 H2 TIP3A2539 43.989 53.180 50.377 1.00 0.00 H -ATOM 7618 O1 TIP3A2540 31.327 19.631 1.910 1.00 0.00 O -ATOM 7619 H1 TIP3A2540 31.253 18.743 1.560 1.00 0.00 H -ATOM 7620 H2 TIP3A2540 32.182 19.649 2.341 1.00 0.00 H -ATOM 7621 O1 TIP3A2541 1.256 55.018 0.892 1.00 0.00 O -ATOM 7622 H1 TIP3A2541 0.335 54.759 0.871 1.00 0.00 H -ATOM 7623 H2 TIP3A2541 1.659 54.419 1.522 1.00 0.00 H -ATOM 7624 O1 TIP3A2542 21.705 27.575 55.887 1.00 0.00 O -ATOM 7625 H1 TIP3A2542 21.511 26.678 56.158 1.00 0.00 H -ATOM 7626 H2 TIP3A2542 20.874 27.908 55.547 1.00 0.00 H -ATOM 7627 O1 TIP3A2543 22.482 32.081 47.564 1.00 0.00 O -ATOM 7628 H1 TIP3A2543 21.647 31.615 47.531 1.00 0.00 H -ATOM 7629 H2 TIP3A2543 22.995 31.609 48.221 1.00 0.00 H -ATOM 7630 O1 TIP3A2544 35.314 9.577 26.563 1.00 0.00 O -ATOM 7631 H1 TIP3A2544 34.569 9.290 27.090 1.00 0.00 H -ATOM 7632 H2 TIP3A2544 36.081 9.364 27.095 1.00 0.00 H -ATOM 7633 O1 TIP3A2545 8.071 30.919 44.543 1.00 0.00 O -ATOM 7634 H1 TIP3A2545 7.356 30.284 44.547 1.00 0.00 H -ATOM 7635 H2 TIP3A2545 7.814 31.573 45.193 1.00 0.00 H -ATOM 7636 O1 TIP3A2546 29.343 10.656 38.493 1.00 0.00 O -ATOM 7637 H1 TIP3A2546 28.614 10.865 37.910 1.00 0.00 H -ATOM 7638 H2 TIP3A2546 30.066 10.439 37.904 1.00 0.00 H -ATOM 7639 O1 TIP3A2547 24.348 9.774 1.730 1.00 0.00 O -ATOM 7640 H1 TIP3A2547 23.445 9.747 1.416 1.00 0.00 H -ATOM 7641 H2 TIP3A2547 24.287 10.159 2.605 1.00 0.00 H -ATOM 7642 O1 TIP3A2548 6.498 33.749 13.602 1.00 0.00 O -ATOM 7643 H1 TIP3A2548 7.038 34.526 13.743 1.00 0.00 H -ATOM 7644 H2 TIP3A2548 7.123 33.063 13.364 1.00 0.00 H -ATOM 7645 O1 TIP3A2549 20.044 23.198 32.934 1.00 0.00 O -ATOM 7646 H1 TIP3A2549 20.269 24.124 32.857 1.00 0.00 H -ATOM 7647 H2 TIP3A2549 19.330 23.177 33.573 1.00 0.00 H -ATOM 7648 O1 TIP3A2550 12.646 33.190 24.750 1.00 0.00 O -ATOM 7649 H1 TIP3A2550 13.309 33.735 24.326 1.00 0.00 H -ATOM 7650 H2 TIP3A2550 12.884 32.294 24.512 1.00 0.00 H -ATOM 7651 O1 TIP3A2551 6.894 5.570 2.115 1.00 0.00 O -ATOM 7652 H1 TIP3A2551 6.472 4.993 1.480 1.00 0.00 H -ATOM 7653 H2 TIP3A2551 7.219 4.980 2.797 1.00 0.00 H -ATOM 7654 O1 TIP3A2552 14.026 29.661 48.383 1.00 0.00 O -ATOM 7655 H1 TIP3A2552 13.499 29.688 47.585 1.00 0.00 H -ATOM 7656 H2 TIP3A2552 14.840 29.232 48.119 1.00 0.00 H -ATOM 7657 O1 TIP3A2553 19.214 38.115 2.161 1.00 0.00 O -ATOM 7658 H1 TIP3A2553 19.754 37.327 2.200 1.00 0.00 H -ATOM 7659 H2 TIP3A2553 18.338 37.819 2.409 1.00 0.00 H -ATOM 7660 O1 TIP3A2554 21.881 18.128 57.154 1.00 0.00 O -ATOM 7661 H1 TIP3A2554 21.080 18.631 57.008 1.00 0.00 H -ATOM 7662 H2 TIP3A2554 22.508 18.490 56.527 1.00 0.00 H -ATOM 7663 O1 TIP3A2555 38.093 6.915 3.620 1.00 0.00 O -ATOM 7664 H1 TIP3A2555 38.804 7.352 4.086 1.00 0.00 H -ATOM 7665 H2 TIP3A2555 37.523 6.577 4.312 1.00 0.00 H -ATOM 7666 O1 TIP3A2556 4.573 22.301 47.974 1.00 0.00 O -ATOM 7667 H1 TIP3A2556 3.961 21.588 48.151 1.00 0.00 H -ATOM 7668 H2 TIP3A2556 5.052 22.417 48.795 1.00 0.00 H -ATOM 7669 O1 TIP3A2557 51.578 48.179 53.872 1.00 0.00 O -ATOM 7670 H1 TIP3A2557 51.778 47.340 53.458 1.00 0.00 H -ATOM 7671 H2 TIP3A2557 50.662 48.344 53.650 1.00 0.00 H -ATOM 7672 O1 TIP3A2558 33.458 55.259 24.282 1.00 0.00 O -ATOM 7673 H1 TIP3A2558 34.094 55.382 23.578 1.00 0.00 H -ATOM 7674 H2 TIP3A2558 33.197 54.340 24.212 1.00 0.00 H -ATOM 7675 O1 TIP3A2559 15.329 17.427 24.118 1.00 0.00 O -ATOM 7676 H1 TIP3A2559 15.796 17.430 23.283 1.00 0.00 H -ATOM 7677 H2 TIP3A2559 15.818 18.038 24.669 1.00 0.00 H -ATOM 7678 O1 TIP3A2560 21.973 21.109 4.088 1.00 0.00 O -ATOM 7679 H1 TIP3A2560 21.300 20.431 4.153 1.00 0.00 H -ATOM 7680 H2 TIP3A2560 21.820 21.519 3.236 1.00 0.00 H -ATOM 7681 O1 TIP3A2561 52.857 29.298 47.451 1.00 0.00 O -ATOM 7682 H1 TIP3A2561 53.005 28.528 47.999 1.00 0.00 H -ATOM 7683 H2 TIP3A2561 53.630 29.846 47.593 1.00 0.00 H -ATOM 7684 O1 TIP3A2562 19.522 32.755 13.344 1.00 0.00 O -ATOM 7685 H1 TIP3A2562 18.827 33.320 13.008 1.00 0.00 H -ATOM 7686 H2 TIP3A2562 19.161 31.870 13.289 1.00 0.00 H -ATOM 7687 O1 TIP3A2563 34.688 51.713 36.707 1.00 0.00 O -ATOM 7688 H1 TIP3A2563 34.518 51.074 36.017 1.00 0.00 H -ATOM 7689 H2 TIP3A2563 35.550 52.073 36.494 1.00 0.00 H -ATOM 7690 O1 TIP3A2564 39.090 25.420 3.857 1.00 0.00 O -ATOM 7691 H1 TIP3A2564 38.692 25.468 4.725 1.00 0.00 H -ATOM 7692 H2 TIP3A2564 39.795 24.778 3.950 1.00 0.00 H -ATOM 7693 O1 TIP3A2565 38.175 36.910 0.598 1.00 0.00 O -ATOM 7694 H1 TIP3A2565 38.711 37.647 0.305 1.00 0.00 H -ATOM 7695 H2 TIP3A2565 38.393 36.200 -0.006 1.00 0.00 H -ATOM 7696 O1 TIP3A2566 0.679 30.892 4.693 1.00 0.00 O -ATOM 7697 H1 TIP3A2566 1.065 31.519 4.083 1.00 0.00 H -ATOM 7698 H2 TIP3A2566 0.622 30.076 4.195 1.00 0.00 H -ATOM 7699 O1 TIP3A2567 30.062 14.013 5.058 1.00 0.00 O -ATOM 7700 H1 TIP3A2567 30.901 14.346 5.373 1.00 0.00 H -ATOM 7701 H2 TIP3A2567 30.296 13.324 4.435 1.00 0.00 H -ATOM 7702 O1 TIP3A2568 26.152 8.898 3.217 1.00 0.00 O -ATOM 7703 H1 TIP3A2568 25.872 9.268 4.054 1.00 0.00 H -ATOM 7704 H2 TIP3A2568 26.513 9.642 2.734 1.00 0.00 H -ATOM 7705 O1 TIP3A2569 42.701 37.963 5.025 1.00 0.00 O -ATOM 7706 H1 TIP3A2569 43.525 37.485 4.942 1.00 0.00 H -ATOM 7707 H2 TIP3A2569 42.904 38.694 5.609 1.00 0.00 H -ATOM 7708 O1 TIP3A2570 29.549 5.312 4.153 1.00 0.00 O -ATOM 7709 H1 TIP3A2570 28.724 4.827 4.171 1.00 0.00 H -ATOM 7710 H2 TIP3A2570 30.088 4.894 4.825 1.00 0.00 H -ATOM 7711 O1 TIP3A2571 32.001 0.200 19.112 1.00 0.00 O -ATOM 7712 H1 TIP3A2571 31.756 -0.001 18.209 1.00 0.00 H -ATOM 7713 H2 TIP3A2571 32.876 0.584 19.043 1.00 0.00 H -ATOM 7714 O1 TIP3A2572 12.810 13.838 28.743 1.00 0.00 O -ATOM 7715 H1 TIP3A2572 13.711 13.523 28.818 1.00 0.00 H -ATOM 7716 H2 TIP3A2572 12.474 13.419 27.951 1.00 0.00 H -ATOM 7717 O1 TIP3A2573 51.881 23.506 10.740 1.00 0.00 O -ATOM 7718 H1 TIP3A2573 52.451 24.088 11.241 1.00 0.00 H -ATOM 7719 H2 TIP3A2573 51.962 23.810 9.836 1.00 0.00 H -ATOM 7720 O1 TIP3A2574 55.324 39.066 8.496 1.00 0.00 O -ATOM 7721 H1 TIP3A2574 55.345 39.989 8.747 1.00 0.00 H -ATOM 7722 H2 TIP3A2574 56.033 38.974 7.859 1.00 0.00 H -ATOM 7723 O1 TIP3A2575 44.530 29.180 20.079 1.00 0.00 O -ATOM 7724 H1 TIP3A2575 43.872 29.592 19.520 1.00 0.00 H -ATOM 7725 H2 TIP3A2575 45.342 29.646 19.877 1.00 0.00 H -ATOM 7726 O1 TIP3A2576 46.418 42.513 14.679 1.00 0.00 O -ATOM 7727 H1 TIP3A2576 46.263 42.234 15.581 1.00 0.00 H -ATOM 7728 H2 TIP3A2576 46.514 41.696 14.188 1.00 0.00 H -ATOM 7729 O1 TIP3A2577 13.193 9.572 27.785 1.00 0.00 O -ATOM 7730 H1 TIP3A2577 12.270 9.522 27.540 1.00 0.00 H -ATOM 7731 H2 TIP3A2577 13.667 9.454 26.962 1.00 0.00 H -ATOM 7732 O1 TIP3A2578 22.874 39.373 34.422 1.00 0.00 O -ATOM 7733 H1 TIP3A2578 23.716 39.258 34.861 1.00 0.00 H -ATOM 7734 H2 TIP3A2578 23.093 39.794 33.590 1.00 0.00 H -ATOM 7735 O1 TIP3A2579 30.251 34.193 52.869 1.00 0.00 O -ATOM 7736 H1 TIP3A2579 31.125 33.867 52.656 1.00 0.00 H -ATOM 7737 H2 TIP3A2579 29.709 33.406 52.931 1.00 0.00 H -ATOM 7738 O1 TIP3A2580 31.892 42.365 15.593 1.00 0.00 O -ATOM 7739 H1 TIP3A2580 31.895 42.793 14.737 1.00 0.00 H -ATOM 7740 H2 TIP3A2580 31.025 41.963 15.657 1.00 0.00 H -ATOM 7741 O1 TIP3A2581 35.262 -0.000 8.923 1.00 0.00 O -ATOM 7742 H1 TIP3A2581 35.444 0.767 9.464 1.00 0.00 H -ATOM 7743 H2 TIP3A2581 35.069 0.357 8.056 1.00 0.00 H -ATOM 7744 O1 TIP3A2582 32.392 41.286 33.679 1.00 0.00 O -ATOM 7745 H1 TIP3A2582 33.043 41.971 33.829 1.00 0.00 H -ATOM 7746 H2 TIP3A2582 31.871 41.270 34.482 1.00 0.00 H -ATOM 7747 O1 TIP3A2583 55.654 57.354 31.213 1.00 0.00 O -ATOM 7748 H1 TIP3A2583 56.148 57.199 32.018 1.00 0.00 H -ATOM 7749 H2 TIP3A2583 55.281 56.499 30.993 1.00 0.00 H -ATOM 7750 O1 TIP3A2584 22.549 43.625 1.225 1.00 0.00 O -ATOM 7751 H1 TIP3A2584 22.376 44.479 0.830 1.00 0.00 H -ATOM 7752 H2 TIP3A2584 23.461 43.675 1.515 1.00 0.00 H -ATOM 7753 O1 TIP3A2585 26.563 27.823 47.559 1.00 0.00 O -ATOM 7754 H1 TIP3A2585 25.979 28.290 46.963 1.00 0.00 H -ATOM 7755 H2 TIP3A2585 27.433 28.174 47.366 1.00 0.00 H -ATOM 7756 O1 TIP3A2586 17.125 21.902 0.635 1.00 0.00 O -ATOM 7757 H1 TIP3A2586 17.303 21.209 -0.001 1.00 0.00 H -ATOM 7758 H2 TIP3A2586 17.947 22.389 0.694 1.00 0.00 H -ATOM 7759 O1 TIP3A2587 53.566 41.709 44.316 1.00 0.00 O -ATOM 7760 H1 TIP3A2587 54.057 40.897 44.192 1.00 0.00 H -ATOM 7761 H2 TIP3A2587 52.761 41.581 43.814 1.00 0.00 H -ATOM 7762 O1 TIP3A2588 31.679 43.122 56.735 1.00 0.00 O -ATOM 7763 H1 TIP3A2588 30.893 42.582 56.814 1.00 0.00 H -ATOM 7764 H2 TIP3A2588 31.496 43.705 55.997 1.00 0.00 H -ATOM 7765 O1 TIP3A2589 18.955 16.422 33.630 1.00 0.00 O -ATOM 7766 H1 TIP3A2589 19.548 15.923 33.069 1.00 0.00 H -ATOM 7767 H2 TIP3A2589 19.164 16.132 34.518 1.00 0.00 H -ATOM 7768 O1 TIP3A2590 10.888 10.248 15.649 1.00 0.00 O -ATOM 7769 H1 TIP3A2590 10.590 9.571 15.043 1.00 0.00 H -ATOM 7770 H2 TIP3A2590 10.427 11.040 15.370 1.00 0.00 H -ATOM 7771 O1 TIP3A2591 40.908 18.522 10.076 1.00 0.00 O -ATOM 7772 H1 TIP3A2591 40.613 17.631 9.889 1.00 0.00 H -ATOM 7773 H2 TIP3A2591 40.725 18.646 11.008 1.00 0.00 H -ATOM 7774 O1 TIP3A2592 15.825 16.620 9.128 1.00 0.00 O -ATOM 7775 H1 TIP3A2592 16.047 15.705 9.298 1.00 0.00 H -ATOM 7776 H2 TIP3A2592 16.521 17.119 9.557 1.00 0.00 H -ATOM 7777 O1 TIP3A2593 27.464 40.562 24.624 1.00 0.00 O -ATOM 7778 H1 TIP3A2593 27.900 41.333 24.986 1.00 0.00 H -ATOM 7779 H2 TIP3A2593 27.799 39.831 25.144 1.00 0.00 H -ATOM 7780 O1 TIP3A2594 35.301 30.525 15.462 1.00 0.00 O -ATOM 7781 H1 TIP3A2594 36.156 30.218 15.760 1.00 0.00 H -ATOM 7782 H2 TIP3A2594 35.241 30.224 14.555 1.00 0.00 H -ATOM 7783 O1 TIP3A2595 54.670 4.841 17.898 1.00 0.00 O -ATOM 7784 H1 TIP3A2595 54.931 5.346 17.128 1.00 0.00 H -ATOM 7785 H2 TIP3A2595 54.462 5.503 18.559 1.00 0.00 H -ATOM 7786 O1 TIP3A2596 28.203 32.402 18.276 1.00 0.00 O -ATOM 7787 H1 TIP3A2596 28.556 31.640 18.732 1.00 0.00 H -ATOM 7788 H2 TIP3A2596 28.181 33.092 18.941 1.00 0.00 H -ATOM 7789 O1 TIP3A2597 36.162 13.321 5.481 1.00 0.00 O -ATOM 7790 H1 TIP3A2597 37.103 13.347 5.651 1.00 0.00 H -ATOM 7791 H2 TIP3A2597 35.902 12.426 5.702 1.00 0.00 H -ATOM 7792 O1 TIP3A2598 24.056 44.432 52.864 1.00 0.00 O -ATOM 7793 H1 TIP3A2598 23.446 43.763 52.554 1.00 0.00 H -ATOM 7794 H2 TIP3A2598 23.628 44.811 53.631 1.00 0.00 H -ATOM 7795 O1 TIP3A2599 35.907 11.549 23.784 1.00 0.00 O -ATOM 7796 H1 TIP3A2599 35.414 11.634 22.969 1.00 0.00 H -ATOM 7797 H2 TIP3A2599 36.356 10.706 23.706 1.00 0.00 H -ATOM 7798 O1 TIP3A2600 47.916 14.590 20.467 1.00 0.00 O -ATOM 7799 H1 TIP3A2600 47.086 15.066 20.488 1.00 0.00 H -ATOM 7800 H2 TIP3A2600 47.889 14.096 19.647 1.00 0.00 H -ATOM 7801 O1 TIP3A2601 15.268 50.903 49.852 1.00 0.00 O -ATOM 7802 H1 TIP3A2601 14.775 50.959 49.034 1.00 0.00 H -ATOM 7803 H2 TIP3A2601 14.720 51.355 50.494 1.00 0.00 H -ATOM 7804 O1 TIP3A2602 43.742 28.686 32.307 1.00 0.00 O -ATOM 7805 H1 TIP3A2602 42.846 28.940 32.089 1.00 0.00 H -ATOM 7806 H2 TIP3A2602 44.228 28.791 31.488 1.00 0.00 H -ATOM 7807 O1 TIP3A2603 41.781 22.805 27.553 1.00 0.00 O -ATOM 7808 H1 TIP3A2603 41.316 22.090 27.120 1.00 0.00 H -ATOM 7809 H2 TIP3A2603 42.708 22.587 27.447 1.00 0.00 H -ATOM 7810 O1 TIP3A2604 40.315 20.210 3.783 1.00 0.00 O -ATOM 7811 H1 TIP3A2604 41.199 20.575 3.811 1.00 0.00 H -ATOM 7812 H2 TIP3A2604 40.446 19.267 3.679 1.00 0.00 H -ATOM 7813 O1 TIP3A2605 10.870 31.868 26.939 1.00 0.00 O -ATOM 7814 H1 TIP3A2605 10.100 31.714 26.393 1.00 0.00 H -ATOM 7815 H2 TIP3A2605 10.588 31.636 27.824 1.00 0.00 H -ATOM 7816 O1 TIP3A2606 32.442 27.095 8.203 1.00 0.00 O -ATOM 7817 H1 TIP3A2606 31.873 26.674 7.560 1.00 0.00 H -ATOM 7818 H2 TIP3A2606 32.466 26.484 8.940 1.00 0.00 H -ATOM 7819 O1 TIP3A2607 7.727 21.832 51.444 1.00 0.00 O -ATOM 7820 H1 TIP3A2607 8.463 22.333 51.093 1.00 0.00 H -ATOM 7821 H2 TIP3A2607 7.850 20.948 51.095 1.00 0.00 H -ATOM 7822 O1 TIP3A2608 41.454 29.325 7.087 1.00 0.00 O -ATOM 7823 H1 TIP3A2608 42.254 29.826 6.933 1.00 0.00 H -ATOM 7824 H2 TIP3A2608 41.760 28.462 7.365 1.00 0.00 H -ATOM 7825 O1 TIP3A2609 52.523 32.881 38.553 1.00 0.00 O -ATOM 7826 H1 TIP3A2609 51.707 33.370 38.650 1.00 0.00 H -ATOM 7827 H2 TIP3A2609 52.708 32.904 37.613 1.00 0.00 H -ATOM 7828 O1 TIP3A2610 48.508 17.979 49.770 1.00 0.00 O -ATOM 7829 H1 TIP3A2610 48.567 18.421 48.924 1.00 0.00 H -ATOM 7830 H2 TIP3A2610 49.098 18.472 50.341 1.00 0.00 H -ATOM 7831 O1 TIP3A2611 13.368 11.170 34.700 1.00 0.00 O -ATOM 7832 H1 TIP3A2611 13.070 12.078 34.650 1.00 0.00 H -ATOM 7833 H2 TIP3A2611 12.837 10.781 35.395 1.00 0.00 H -ATOM 7834 O1 TIP3A2612 52.842 6.482 8.714 1.00 0.00 O -ATOM 7835 H1 TIP3A2612 53.687 6.673 8.308 1.00 0.00 H -ATOM 7836 H2 TIP3A2612 52.994 6.602 9.652 1.00 0.00 H -ATOM 7837 O1 TIP3A2613 9.029 34.843 4.732 1.00 0.00 O -ATOM 7838 H1 TIP3A2613 8.252 35.347 4.492 1.00 0.00 H -ATOM 7839 H2 TIP3A2613 8.692 34.118 5.259 1.00 0.00 H -ATOM 7840 O1 TIP3A2614 48.649 38.040 53.404 1.00 0.00 O -ATOM 7841 H1 TIP3A2614 48.826 37.947 54.339 1.00 0.00 H -ATOM 7842 H2 TIP3A2614 48.872 38.951 53.207 1.00 0.00 H -ATOM 7843 O1 TIP3A2615 55.691 39.436 45.068 1.00 0.00 O -ATOM 7844 H1 TIP3A2615 54.841 39.004 44.993 1.00 0.00 H -ATOM 7845 H2 TIP3A2615 56.150 38.947 45.752 1.00 0.00 H -ATOM 7846 O1 TIP3A2616 45.562 29.449 4.713 1.00 0.00 O -ATOM 7847 H1 TIP3A2616 46.112 28.668 4.677 1.00 0.00 H -ATOM 7848 H2 TIP3A2616 46.018 30.037 5.316 1.00 0.00 H -ATOM 7849 O1 TIP3A2617 55.514 56.852 41.557 1.00 0.00 O -ATOM 7850 H1 TIP3A2617 55.072 56.077 41.212 1.00 0.00 H -ATOM 7851 H2 TIP3A2617 56.120 56.511 42.215 1.00 0.00 H -ATOM 7852 O1 TIP3A2618 33.466 11.365 17.995 1.00 0.00 O -ATOM 7853 H1 TIP3A2618 33.286 10.429 17.911 1.00 0.00 H -ATOM 7854 H2 TIP3A2618 32.918 11.776 17.325 1.00 0.00 H -ATOM 7855 O1 TIP3A2619 19.701 29.299 42.722 1.00 0.00 O -ATOM 7856 H1 TIP3A2619 20.295 29.655 42.062 1.00 0.00 H -ATOM 7857 H2 TIP3A2619 19.161 28.669 42.244 1.00 0.00 H -ATOM 7858 O1 TIP3A2620 8.173 31.450 4.680 1.00 0.00 O -ATOM 7859 H1 TIP3A2620 7.233 31.368 4.840 1.00 0.00 H -ATOM 7860 H2 TIP3A2620 8.542 30.621 4.986 1.00 0.00 H -ATOM 7861 O1 TIP3A2621 55.842 7.823 23.743 1.00 0.00 O -ATOM 7862 H1 TIP3A2621 56.638 8.343 23.841 1.00 0.00 H -ATOM 7863 H2 TIP3A2621 56.138 7.001 23.351 1.00 0.00 H -ATOM 7864 O1 TIP3A2622 19.386 34.093 42.029 1.00 0.00 O -ATOM 7865 H1 TIP3A2622 19.950 33.332 42.163 1.00 0.00 H -ATOM 7866 H2 TIP3A2622 19.618 34.692 42.740 1.00 0.00 H -ATOM 7867 O1 TIP3A2623 16.630 7.251 18.259 1.00 0.00 O -ATOM 7868 H1 TIP3A2623 15.991 6.561 18.083 1.00 0.00 H -ATOM 7869 H2 TIP3A2623 16.968 7.048 19.132 1.00 0.00 H -ATOM 7870 O1 TIP3A2624 13.512 15.179 3.484 1.00 0.00 O -ATOM 7871 H1 TIP3A2624 13.888 16.054 3.576 1.00 0.00 H -ATOM 7872 H2 TIP3A2624 12.801 15.155 4.126 1.00 0.00 H -ATOM 7873 O1 TIP3A2625 7.482 7.557 35.688 1.00 0.00 O -ATOM 7874 H1 TIP3A2625 6.749 7.881 35.165 1.00 0.00 H -ATOM 7875 H2 TIP3A2625 7.705 8.287 36.266 1.00 0.00 H -ATOM 7876 O1 TIP3A2626 8.926 28.337 1.409 1.00 0.00 O -ATOM 7877 H1 TIP3A2626 7.995 28.271 1.618 1.00 0.00 H -ATOM 7878 H2 TIP3A2626 8.971 29.007 0.725 1.00 0.00 H -ATOM 7879 O1 TIP3A2627 36.698 0.910 48.159 1.00 0.00 O -ATOM 7880 H1 TIP3A2627 36.481 1.367 47.347 1.00 0.00 H -ATOM 7881 H2 TIP3A2627 36.451 -0.000 47.996 1.00 0.00 H -ATOM 7882 O1 TIP3A2628 39.363 39.494 29.868 1.00 0.00 O -ATOM 7883 H1 TIP3A2628 40.224 39.777 29.562 1.00 0.00 H -ATOM 7884 H2 TIP3A2628 39.374 38.541 29.767 1.00 0.00 H -ATOM 7885 O1 TIP3A2629 45.949 11.412 16.483 1.00 0.00 O -ATOM 7886 H1 TIP3A2629 46.191 10.831 15.763 1.00 0.00 H -ATOM 7887 H2 TIP3A2629 45.585 10.829 17.150 1.00 0.00 H -ATOM 7888 O1 TIP3A2630 4.497 33.098 19.357 1.00 0.00 O -ATOM 7889 H1 TIP3A2630 3.707 33.512 19.009 1.00 0.00 H -ATOM 7890 H2 TIP3A2630 4.768 32.485 18.673 1.00 0.00 H -ATOM 7891 O1 TIP3A2631 14.817 12.664 40.138 1.00 0.00 O -ATOM 7892 H1 TIP3A2631 14.614 12.159 39.351 1.00 0.00 H -ATOM 7893 H2 TIP3A2631 15.462 12.131 40.605 1.00 0.00 H -ATOM 7894 O1 TIP3A2632 11.458 57.818 27.264 1.00 0.00 O -ATOM 7895 H1 TIP3A2632 12.150 57.287 27.657 1.00 0.00 H -ATOM 7896 H2 TIP3A2632 10.715 57.723 27.862 1.00 0.00 H -ATOM 7897 O1 TIP3A2633 53.866 17.062 25.370 1.00 0.00 O -ATOM 7898 H1 TIP3A2633 54.804 17.084 25.555 1.00 0.00 H -ATOM 7899 H2 TIP3A2633 53.504 16.474 26.034 1.00 0.00 H -ATOM 7900 O1 TIP3A2634 45.981 37.959 15.634 1.00 0.00 O -ATOM 7901 H1 TIP3A2634 45.646 37.064 15.588 1.00 0.00 H -ATOM 7902 H2 TIP3A2634 45.430 38.389 16.289 1.00 0.00 H -ATOM 7903 O1 TIP3A2635 24.754 35.841 43.702 1.00 0.00 O -ATOM 7904 H1 TIP3A2635 24.746 36.724 43.332 1.00 0.00 H -ATOM 7905 H2 TIP3A2635 23.845 35.680 43.957 1.00 0.00 H -ATOM 7906 O1 TIP3A2636 51.281 33.958 45.319 1.00 0.00 O -ATOM 7907 H1 TIP3A2636 50.601 33.309 45.140 1.00 0.00 H -ATOM 7908 H2 TIP3A2636 51.732 33.626 46.096 1.00 0.00 H -ATOM 7909 O1 TIP3A2637 22.494 31.571 32.449 1.00 0.00 O -ATOM 7910 H1 TIP3A2637 22.466 32.265 33.107 1.00 0.00 H -ATOM 7911 H2 TIP3A2637 22.430 30.760 32.953 1.00 0.00 H -ATOM 7912 O1 TIP3A2638 18.507 56.478 24.534 1.00 0.00 O -ATOM 7913 H1 TIP3A2638 18.406 56.669 23.602 1.00 0.00 H -ATOM 7914 H2 TIP3A2638 19.292 55.931 24.582 1.00 0.00 H -ATOM 7915 O1 TIP3A2639 27.230 -0.003 45.232 1.00 0.00 O -ATOM 7916 H1 TIP3A2639 26.397 0.042 45.700 1.00 0.00 H -ATOM 7917 H2 TIP3A2639 27.874 0.335 45.855 1.00 0.00 H -ATOM 7918 O1 TIP3A2640 21.965 53.219 3.367 1.00 0.00 O -ATOM 7919 H1 TIP3A2640 22.739 52.909 2.898 1.00 0.00 H -ATOM 7920 H2 TIP3A2640 22.292 53.917 3.936 1.00 0.00 H -ATOM 7921 O1 TIP3A2641 49.693 24.365 49.931 1.00 0.00 O -ATOM 7922 H1 TIP3A2641 50.283 23.892 49.346 1.00 0.00 H -ATOM 7923 H2 TIP3A2641 49.850 25.289 49.735 1.00 0.00 H -ATOM 7924 O1 TIP3A2642 29.820 12.012 53.049 1.00 0.00 O -ATOM 7925 H1 TIP3A2642 29.680 11.663 53.929 1.00 0.00 H -ATOM 7926 H2 TIP3A2642 29.054 12.562 52.884 1.00 0.00 H -ATOM 7927 O1 TIP3A2643 27.793 17.106 55.837 1.00 0.00 O -ATOM 7928 H1 TIP3A2643 28.337 16.411 55.469 1.00 0.00 H -ATOM 7929 H2 TIP3A2643 27.021 17.132 55.271 1.00 0.00 H -ATOM 7930 O1 TIP3A2644 41.795 37.742 39.420 1.00 0.00 O -ATOM 7931 H1 TIP3A2644 41.504 38.165 38.613 1.00 0.00 H -ATOM 7932 H2 TIP3A2644 42.607 38.197 39.649 1.00 0.00 H -ATOM 7933 O1 TIP3A2645 42.827 15.297 43.106 1.00 0.00 O -ATOM 7934 H1 TIP3A2645 41.971 15.529 43.465 1.00 0.00 H -ATOM 7935 H2 TIP3A2645 43.147 14.599 43.679 1.00 0.00 H -ATOM 7936 O1 TIP3A2646 26.785 54.177 20.352 1.00 0.00 O -ATOM 7937 H1 TIP3A2646 27.246 53.737 19.639 1.00 0.00 H -ATOM 7938 H2 TIP3A2646 27.182 53.824 21.149 1.00 0.00 H -ATOM 7939 O1 TIP3A2647 17.740 0.323 53.427 1.00 0.00 O -ATOM 7940 H1 TIP3A2647 17.934 1.164 53.840 1.00 0.00 H -ATOM 7941 H2 TIP3A2647 16.883 0.449 53.018 1.00 0.00 H -ATOM 7942 O1 TIP3A2648 17.428 32.832 8.961 1.00 0.00 O -ATOM 7943 H1 TIP3A2648 18.319 32.844 8.614 1.00 0.00 H -ATOM 7944 H2 TIP3A2648 17.200 31.903 9.005 1.00 0.00 H -ATOM 7945 O1 TIP3A2649 56.114 19.339 12.695 1.00 0.00 O -ATOM 7946 H1 TIP3A2649 56.697 19.488 11.951 1.00 0.00 H -ATOM 7947 H2 TIP3A2649 56.539 19.788 13.427 1.00 0.00 H -ATOM 7948 O1 TIP3A2650 14.812 1.487 10.486 1.00 0.00 O -ATOM 7949 H1 TIP3A2650 15.690 1.866 10.466 1.00 0.00 H -ATOM 7950 H2 TIP3A2650 14.428 1.812 11.302 1.00 0.00 H -ATOM 7951 O1 TIP3A2651 17.869 26.709 5.536 1.00 0.00 O -ATOM 7952 H1 TIP3A2651 18.664 26.385 5.959 1.00 0.00 H -ATOM 7953 H2 TIP3A2651 17.491 25.938 5.112 1.00 0.00 H -ATOM 7954 O1 TIP3A2652 1.575 52.139 29.248 1.00 0.00 O -ATOM 7955 H1 TIP3A2652 2.209 52.775 28.920 1.00 0.00 H -ATOM 7956 H2 TIP3A2652 0.962 52.659 29.769 1.00 0.00 H -ATOM 7957 O1 TIP3A2653 45.678 41.610 25.356 1.00 0.00 O -ATOM 7958 H1 TIP3A2653 44.956 41.511 25.976 1.00 0.00 H -ATOM 7959 H2 TIP3A2653 46.292 40.913 25.589 1.00 0.00 H -ATOM 7960 O1 TIP3A2654 28.450 30.405 51.085 1.00 0.00 O -ATOM 7961 H1 TIP3A2654 29.016 30.207 50.340 1.00 0.00 H -ATOM 7962 H2 TIP3A2654 29.028 30.353 51.847 1.00 0.00 H -ATOM 7963 O1 TIP3A2655 38.188 15.664 33.955 1.00 0.00 O -ATOM 7964 H1 TIP3A2655 38.632 15.933 33.151 1.00 0.00 H -ATOM 7965 H2 TIP3A2655 37.737 14.853 33.721 1.00 0.00 H -ATOM 7966 O1 TIP3A2656 7.731 15.277 50.277 1.00 0.00 O -ATOM 7967 H1 TIP3A2656 7.035 15.568 49.688 1.00 0.00 H -ATOM 7968 H2 TIP3A2656 7.973 16.061 50.769 1.00 0.00 H -ATOM 7969 O1 TIP3A2657 37.765 39.209 58.001 1.00 0.00 O -ATOM 7970 H1 TIP3A2657 38.698 39.253 57.797 1.00 0.00 H -ATOM 7971 H2 TIP3A2657 37.539 38.284 57.900 1.00 0.00 H -ATOM 7972 O1 TIP3A2658 2.546 42.079 48.162 1.00 0.00 O -ATOM 7973 H1 TIP3A2658 1.748 41.553 48.128 1.00 0.00 H -ATOM 7974 H2 TIP3A2658 3.097 41.637 48.809 1.00 0.00 H -ATOM 7975 O1 TIP3A2659 24.567 5.233 21.993 1.00 0.00 O -ATOM 7976 H1 TIP3A2659 24.007 4.877 21.303 1.00 0.00 H -ATOM 7977 H2 TIP3A2659 24.105 6.015 22.297 1.00 0.00 H -ATOM 7978 O1 TIP3A2660 29.939 58.001 0.696 1.00 0.00 O -ATOM 7979 H1 TIP3A2660 30.799 57.630 0.891 1.00 0.00 H -ATOM 7980 H2 TIP3A2660 29.541 57.377 0.087 1.00 0.00 H -ATOM 7981 O1 TIP3A2661 40.856 17.435 1.485 1.00 0.00 O -ATOM 7982 H1 TIP3A2661 41.760 17.484 1.177 1.00 0.00 H -ATOM 7983 H2 TIP3A2661 40.929 17.207 2.412 1.00 0.00 H -ATOM 7984 O1 TIP3A2662 14.494 31.435 14.832 1.00 0.00 O -ATOM 7985 H1 TIP3A2662 15.192 32.057 14.625 1.00 0.00 H -ATOM 7986 H2 TIP3A2662 14.095 31.779 15.631 1.00 0.00 H -ATOM 7987 O1 TIP3A2663 5.625 14.854 10.970 1.00 0.00 O -ATOM 7988 H1 TIP3A2663 5.452 15.736 11.298 1.00 0.00 H -ATOM 7989 H2 TIP3A2663 4.767 14.526 10.701 1.00 0.00 H -ATOM 7990 O1 TIP3A2664 49.947 10.561 4.854 1.00 0.00 O -ATOM 7991 H1 TIP3A2664 49.891 9.619 4.699 1.00 0.00 H -ATOM 7992 H2 TIP3A2664 49.320 10.943 4.239 1.00 0.00 H -ATOM 7993 O1 TIP3A2665 7.030 2.678 39.532 1.00 0.00 O -ATOM 7994 H1 TIP3A2665 7.662 2.470 38.845 1.00 0.00 H -ATOM 7995 H2 TIP3A2665 6.373 1.984 39.472 1.00 0.00 H -ATOM 7996 O1 TIP3A2666 29.277 21.268 57.693 1.00 0.00 O -ATOM 7997 H1 TIP3A2666 28.535 20.732 57.972 1.00 0.00 H -ATOM 7998 H2 TIP3A2666 28.981 21.683 56.881 1.00 0.00 H -ATOM 7999 O1 TIP3A2667 54.559 12.514 56.721 1.00 0.00 O -ATOM 8000 H1 TIP3A2667 53.936 13.216 56.534 1.00 0.00 H -ATOM 8001 H2 TIP3A2667 55.142 12.502 55.961 1.00 0.00 H -ATOM 8002 O1 TIP3A2668 25.809 30.728 57.088 1.00 0.00 O -ATOM 8003 H1 TIP3A2668 25.976 31.151 57.930 1.00 0.00 H -ATOM 8004 H2 TIP3A2668 26.168 29.846 57.188 1.00 0.00 H -ATOM 8005 O1 TIP3A2669 30.854 30.799 19.364 1.00 0.00 O -ATOM 8006 H1 TIP3A2669 30.805 31.642 18.915 1.00 0.00 H -ATOM 8007 H2 TIP3A2669 30.891 30.153 18.659 1.00 0.00 H -ATOM 8008 O1 TIP3A2670 19.737 18.923 23.082 1.00 0.00 O -ATOM 8009 H1 TIP3A2670 19.992 19.838 22.966 1.00 0.00 H -ATOM 8010 H2 TIP3A2670 18.947 18.961 23.622 1.00 0.00 H -ATOM 8011 O1 TIP3A2671 26.587 5.830 48.102 1.00 0.00 O -ATOM 8012 H1 TIP3A2671 26.428 6.771 48.043 1.00 0.00 H -ATOM 8013 H2 TIP3A2671 27.465 5.711 47.739 1.00 0.00 H -ATOM 8014 O1 TIP3A2672 27.935 1.161 9.275 1.00 0.00 O -ATOM 8015 H1 TIP3A2672 27.082 1.490 9.556 1.00 0.00 H -ATOM 8016 H2 TIP3A2672 28.369 0.896 10.087 1.00 0.00 H -ATOM 8017 O1 TIP3A2673 40.523 28.695 29.982 1.00 0.00 O -ATOM 8018 H1 TIP3A2673 40.299 29.547 29.610 1.00 0.00 H -ATOM 8019 H2 TIP3A2673 41.375 28.482 29.599 1.00 0.00 H -ATOM 8020 O1 TIP3A2674 43.278 40.322 56.264 1.00 0.00 O -ATOM 8021 H1 TIP3A2674 42.367 40.597 56.364 1.00 0.00 H -ATOM 8022 H2 TIP3A2674 43.775 41.140 56.247 1.00 0.00 H -ATOM 8023 O1 TIP3A2675 16.667 22.636 36.401 1.00 0.00 O -ATOM 8024 H1 TIP3A2675 16.572 22.477 37.339 1.00 0.00 H -ATOM 8025 H2 TIP3A2675 15.884 22.247 36.011 1.00 0.00 H -ATOM 8026 O1 TIP3A2676 21.093 30.881 21.754 1.00 0.00 O -ATOM 8027 H1 TIP3A2676 20.544 30.109 21.882 1.00 0.00 H -ATOM 8028 H2 TIP3A2676 20.604 31.425 21.136 1.00 0.00 H -ATOM 8029 O1 TIP3A2677 27.320 16.686 45.276 1.00 0.00 O -ATOM 8030 H1 TIP3A2677 26.592 17.261 45.513 1.00 0.00 H -ATOM 8031 H2 TIP3A2677 28.036 16.956 45.852 1.00 0.00 H -ATOM 8032 O1 TIP3A2678 2.049 34.661 27.131 1.00 0.00 O -ATOM 8033 H1 TIP3A2678 2.541 33.854 26.986 1.00 0.00 H -ATOM 8034 H2 TIP3A2678 2.245 34.902 28.037 1.00 0.00 H -ATOM 8035 O1 TIP3A2679 38.819 21.644 16.387 1.00 0.00 O -ATOM 8036 H1 TIP3A2679 39.010 22.537 16.101 1.00 0.00 H -ATOM 8037 H2 TIP3A2679 38.262 21.753 17.159 1.00 0.00 H -ATOM 8038 O1 TIP3A2680 40.352 55.343 3.765 1.00 0.00 O -ATOM 8039 H1 TIP3A2680 40.136 56.165 4.204 1.00 0.00 H -ATOM 8040 H2 TIP3A2680 40.933 54.889 4.378 1.00 0.00 H -ATOM 8041 O1 TIP3A2681 24.952 53.584 52.438 1.00 0.00 O -ATOM 8042 H1 TIP3A2681 24.016 53.780 52.468 1.00 0.00 H -ATOM 8043 H2 TIP3A2681 25.172 53.609 51.506 1.00 0.00 H -ATOM 8044 O1 TIP3A2682 35.520 2.850 11.025 1.00 0.00 O -ATOM 8045 H1 TIP3A2682 35.731 3.372 10.251 1.00 0.00 H -ATOM 8046 H2 TIP3A2682 36.321 2.863 11.549 1.00 0.00 H -ATOM 8047 O1 TIP3A2683 26.340 47.478 24.191 1.00 0.00 O -ATOM 8048 H1 TIP3A2683 26.892 47.596 23.419 1.00 0.00 H -ATOM 8049 H2 TIP3A2683 25.459 47.345 23.839 1.00 0.00 H -ATOM 8050 O1 TIP3A2684 43.775 29.866 46.071 1.00 0.00 O -ATOM 8051 H1 TIP3A2684 44.111 28.998 46.289 1.00 0.00 H -ATOM 8052 H2 TIP3A2684 43.290 29.738 45.256 1.00 0.00 H -ATOM 8053 O1 TIP3A2685 36.619 46.212 11.885 1.00 0.00 O -ATOM 8054 H1 TIP3A2685 36.049 45.444 11.864 1.00 0.00 H -ATOM 8055 H2 TIP3A2685 37.498 45.854 12.012 1.00 0.00 H -ATOM 8056 O1 TIP3A2686 39.543 44.661 24.109 1.00 0.00 O -ATOM 8057 H1 TIP3A2686 38.737 44.398 23.666 1.00 0.00 H -ATOM 8058 H2 TIP3A2686 39.245 45.138 24.885 1.00 0.00 H -ATOM 8059 O1 TIP3A2687 29.640 7.307 13.761 1.00 0.00 O -ATOM 8060 H1 TIP3A2687 30.071 8.117 13.491 1.00 0.00 H -ATOM 8061 H2 TIP3A2687 30.312 6.632 13.658 1.00 0.00 H -ATOM 8062 O1 TIP3A2688 8.584 25.790 50.166 1.00 0.00 O -ATOM 8063 H1 TIP3A2688 8.819 26.706 50.309 1.00 0.00 H -ATOM 8064 H2 TIP3A2688 7.923 25.604 50.833 1.00 0.00 H -ATOM 8065 O1 TIP3A2689 31.079 9.562 3.712 1.00 0.00 O -ATOM 8066 H1 TIP3A2689 31.825 10.119 3.491 1.00 0.00 H -ATOM 8067 H2 TIP3A2689 31.359 8.679 3.467 1.00 0.00 H -ATOM 8068 O1 TIP3A2690 21.623 27.872 41.865 1.00 0.00 O -ATOM 8069 H1 TIP3A2690 21.684 26.941 41.653 1.00 0.00 H -ATOM 8070 H2 TIP3A2690 22.489 28.223 41.654 1.00 0.00 H -ATOM 8071 O1 TIP3A2691 55.217 15.106 1.564 1.00 0.00 O -ATOM 8072 H1 TIP3A2691 54.993 14.656 0.750 1.00 0.00 H -ATOM 8073 H2 TIP3A2691 54.376 15.250 1.998 1.00 0.00 H -ATOM 8074 O1 TIP3A2692 5.245 44.667 56.873 1.00 0.00 O -ATOM 8075 H1 TIP3A2692 4.616 44.392 57.539 1.00 0.00 H -ATOM 8076 H2 TIP3A2692 4.918 45.514 56.569 1.00 0.00 H -ATOM 8077 O1 TIP3A2693 41.704 28.191 41.363 1.00 0.00 O -ATOM 8078 H1 TIP3A2693 42.442 27.588 41.446 1.00 0.00 H -ATOM 8079 H2 TIP3A2693 41.464 28.151 40.437 1.00 0.00 H -ATOM 8080 O1 TIP3A2694 44.502 53.858 56.432 1.00 0.00 O -ATOM 8081 H1 TIP3A2694 44.763 52.954 56.605 1.00 0.00 H -ATOM 8082 H2 TIP3A2694 44.740 54.333 57.229 1.00 0.00 H -ATOM 8083 O1 TIP3A2695 43.100 56.100 40.604 1.00 0.00 O -ATOM 8084 H1 TIP3A2695 42.937 57.035 40.724 1.00 0.00 H -ATOM 8085 H2 TIP3A2695 43.541 56.040 39.756 1.00 0.00 H -ATOM 8086 O1 TIP3A2696 11.786 11.771 46.957 1.00 0.00 O -ATOM 8087 H1 TIP3A2696 12.613 12.252 46.950 1.00 0.00 H -ATOM 8088 H2 TIP3A2696 12.040 10.858 47.094 1.00 0.00 H -ATOM 8089 O1 TIP3A2697 42.334 37.398 7.335 1.00 0.00 O -ATOM 8090 H1 TIP3A2697 43.181 36.953 7.351 1.00 0.00 H -ATOM 8091 H2 TIP3A2697 41.805 36.885 6.722 1.00 0.00 H -ATOM 8092 O1 TIP3A2698 14.063 42.681 39.554 1.00 0.00 O -ATOM 8093 H1 TIP3A2698 14.669 42.571 38.821 1.00 0.00 H -ATOM 8094 H2 TIP3A2698 14.115 43.613 39.770 1.00 0.00 H -ATOM 8095 O1 TIP3A2699 42.434 36.504 16.549 1.00 0.00 O -ATOM 8096 H1 TIP3A2699 41.811 37.092 16.124 1.00 0.00 H -ATOM 8097 H2 TIP3A2699 42.348 35.678 16.073 1.00 0.00 H -ATOM 8098 O1 TIP3A2700 51.290 36.497 53.508 1.00 0.00 O -ATOM 8099 H1 TIP3A2700 52.102 36.023 53.331 1.00 0.00 H -ATOM 8100 H2 TIP3A2700 51.121 36.347 54.438 1.00 0.00 H -ATOM 8101 O1 TIP3A2701 28.398 40.875 5.594 1.00 0.00 O -ATOM 8102 H1 TIP3A2701 29.083 40.229 5.759 1.00 0.00 H -ATOM 8103 H2 TIP3A2701 28.750 41.425 4.893 1.00 0.00 H -ATOM 8104 O1 TIP3A2702 22.716 8.016 26.347 1.00 0.00 O -ATOM 8105 H1 TIP3A2702 22.613 8.967 26.323 1.00 0.00 H -ATOM 8106 H2 TIP3A2702 22.091 7.724 27.012 1.00 0.00 H -ATOM 8107 O1 TIP3A2703 54.450 36.155 -0.012 1.00 0.00 O -ATOM 8108 H1 TIP3A2703 53.788 36.826 0.151 1.00 0.00 H -ATOM 8109 H2 TIP3A2703 55.099 36.285 0.680 1.00 0.00 H -ATOM 8110 O1 TIP3A2704 9.760 48.446 37.034 1.00 0.00 O -ATOM 8111 H1 TIP3A2704 9.551 48.890 37.855 1.00 0.00 H -ATOM 8112 H2 TIP3A2704 10.706 48.299 37.075 1.00 0.00 H -ATOM 8113 O1 TIP3A2705 38.854 37.725 47.883 1.00 0.00 O -ATOM 8114 H1 TIP3A2705 38.179 38.402 47.879 1.00 0.00 H -ATOM 8115 H2 TIP3A2705 38.559 37.096 48.543 1.00 0.00 H -ATOM 8116 O1 TIP3A2706 12.583 2.612 28.112 1.00 0.00 O -ATOM 8117 H1 TIP3A2706 12.479 1.681 28.306 1.00 0.00 H -ATOM 8118 H2 TIP3A2706 13.036 2.967 28.878 1.00 0.00 H -ATOM 8119 O1 TIP3A2707 52.993 9.463 47.514 1.00 0.00 O -ATOM 8120 H1 TIP3A2707 52.730 9.569 46.601 1.00 0.00 H -ATOM 8121 H2 TIP3A2707 53.858 9.870 47.564 1.00 0.00 H -ATOM 8122 O1 TIP3A2708 26.083 11.388 57.278 1.00 0.00 O -ATOM 8123 H1 TIP3A2708 25.995 10.480 57.564 1.00 0.00 H -ATOM 8124 H2 TIP3A2708 27.027 11.526 57.200 1.00 0.00 H -ATOM 8125 O1 TIP3A2709 21.089 17.379 32.472 1.00 0.00 O -ATOM 8126 H1 TIP3A2709 21.036 17.865 33.294 1.00 0.00 H -ATOM 8127 H2 TIP3A2709 21.961 17.580 32.130 1.00 0.00 H -ATOM 8128 O1 TIP3A2710 37.693 8.159 31.081 1.00 0.00 O -ATOM 8129 H1 TIP3A2710 36.902 7.658 31.277 1.00 0.00 H -ATOM 8130 H2 TIP3A2710 37.930 7.895 30.192 1.00 0.00 H -ATOM 8131 O1 TIP3A2711 30.914 48.331 27.840 1.00 0.00 O -ATOM 8132 H1 TIP3A2711 31.128 48.923 27.120 1.00 0.00 H -ATOM 8133 H2 TIP3A2711 30.958 48.880 28.623 1.00 0.00 H -ATOM 8134 O1 TIP3A2712 5.434 42.677 7.336 1.00 0.00 O -ATOM 8135 H1 TIP3A2712 6.321 42.635 6.981 1.00 0.00 H -ATOM 8136 H2 TIP3A2712 4.884 42.285 6.657 1.00 0.00 H -ATOM 8137 O1 TIP3A2713 56.047 13.121 9.674 1.00 0.00 O -ATOM 8138 H1 TIP3A2713 55.117 12.983 9.499 1.00 0.00 H -ATOM 8139 H2 TIP3A2713 56.305 13.816 9.068 1.00 0.00 H -ATOM 8140 O1 TIP3A2714 30.282 35.022 39.855 1.00 0.00 O -ATOM 8141 H1 TIP3A2714 30.072 35.595 39.118 1.00 0.00 H -ATOM 8142 H2 TIP3A2714 30.896 35.530 40.386 1.00 0.00 H -ATOM 8143 O1 TIP3A2715 56.162 18.512 56.349 1.00 0.00 O -ATOM 8144 H1 TIP3A2715 55.368 17.983 56.275 1.00 0.00 H -ATOM 8145 H2 TIP3A2715 56.038 19.221 55.717 1.00 0.00 H -ATOM 8146 O1 TIP3A2716 28.835 17.288 13.642 1.00 0.00 O -ATOM 8147 H1 TIP3A2716 29.741 17.014 13.779 1.00 0.00 H -ATOM 8148 H2 TIP3A2716 28.552 16.803 12.865 1.00 0.00 H -ATOM 8149 O1 TIP3A2717 52.218 15.102 35.131 1.00 0.00 O -ATOM 8150 H1 TIP3A2717 51.344 14.713 35.139 1.00 0.00 H -ATOM 8151 H2 TIP3A2717 52.624 14.762 34.332 1.00 0.00 H -ATOM 8152 O1 TIP3A2718 41.591 36.948 48.390 1.00 0.00 O -ATOM 8153 H1 TIP3A2718 42.222 36.369 48.815 1.00 0.00 H -ATOM 8154 H2 TIP3A2718 40.737 36.567 48.597 1.00 0.00 H -ATOM 8155 O1 TIP3A2719 45.328 28.004 36.138 1.00 0.00 O -ATOM 8156 H1 TIP3A2719 44.383 28.060 36.276 1.00 0.00 H -ATOM 8157 H2 TIP3A2719 45.490 28.541 35.362 1.00 0.00 H -ATOM 8158 O1 TIP3A2720 13.714 55.591 35.232 1.00 0.00 O -ATOM 8159 H1 TIP3A2720 12.824 55.270 35.094 1.00 0.00 H -ATOM 8160 H2 TIP3A2720 13.931 55.322 36.125 1.00 0.00 H -ATOM 8161 O1 TIP3A2721 53.561 31.312 18.537 1.00 0.00 O -ATOM 8162 H1 TIP3A2721 53.626 31.968 17.844 1.00 0.00 H -ATOM 8163 H2 TIP3A2721 53.505 30.477 18.072 1.00 0.00 H -ATOM 8164 O1 TIP3A2722 22.232 39.878 54.668 1.00 0.00 O -ATOM 8165 H1 TIP3A2722 23.162 39.893 54.889 1.00 0.00 H -ATOM 8166 H2 TIP3A2722 21.877 40.674 55.066 1.00 0.00 H -ATOM 8167 O1 TIP3A2723 13.586 49.623 24.573 1.00 0.00 O -ATOM 8168 H1 TIP3A2723 13.363 49.715 25.498 1.00 0.00 H -ATOM 8169 H2 TIP3A2723 13.863 48.711 24.482 1.00 0.00 H -ATOM 8170 O1 TIP3A2724 2.816 23.722 8.633 1.00 0.00 O -ATOM 8171 H1 TIP3A2724 2.301 24.487 8.378 1.00 0.00 H -ATOM 8172 H2 TIP3A2724 2.413 23.423 9.449 1.00 0.00 H -ATOM 8173 O1 TIP3A2725 2.972 49.751 8.259 1.00 0.00 O -ATOM 8174 H1 TIP3A2725 3.280 50.510 7.764 1.00 0.00 H -ATOM 8175 H2 TIP3A2725 2.212 50.074 8.745 1.00 0.00 H -ATOM 8176 O1 TIP3A2726 33.788 13.595 36.817 1.00 0.00 O -ATOM 8177 H1 TIP3A2726 34.162 12.715 36.792 1.00 0.00 H -ATOM 8178 H2 TIP3A2726 33.088 13.577 36.163 1.00 0.00 H -ATOM 8179 O1 TIP3A2727 48.580 32.682 55.009 1.00 0.00 O -ATOM 8180 H1 TIP3A2727 48.492 31.735 54.907 1.00 0.00 H -ATOM 8181 H2 TIP3A2727 48.015 33.050 54.328 1.00 0.00 H -ATOM 8182 O1 TIP3A2728 42.667 6.407 40.033 1.00 0.00 O -ATOM 8183 H1 TIP3A2728 43.147 5.595 39.874 1.00 0.00 H -ATOM 8184 H2 TIP3A2728 41.949 6.390 39.399 1.00 0.00 H -ATOM 8185 O1 TIP3A2729 2.530 5.575 45.751 1.00 0.00 O -ATOM 8186 H1 TIP3A2729 3.337 6.071 45.621 1.00 0.00 H -ATOM 8187 H2 TIP3A2729 2.348 5.655 46.688 1.00 0.00 H -ATOM 8188 O1 TIP3A2730 55.384 26.335 14.945 1.00 0.00 O -ATOM 8189 H1 TIP3A2730 54.438 26.470 14.914 1.00 0.00 H -ATOM 8190 H2 TIP3A2730 55.529 25.830 15.745 1.00 0.00 H -ATOM 8191 O1 TIP3A2731 18.548 32.644 36.883 1.00 0.00 O -ATOM 8192 H1 TIP3A2731 17.713 32.918 37.259 1.00 0.00 H -ATOM 8193 H2 TIP3A2731 19.203 33.170 37.343 1.00 0.00 H -ATOM 8194 O1 TIP3A2732 43.420 53.711 8.524 1.00 0.00 O -ATOM 8195 H1 TIP3A2732 43.892 54.075 7.776 1.00 0.00 H -ATOM 8196 H2 TIP3A2732 42.768 53.126 8.135 1.00 0.00 H -ATOM 8197 O1 TIP3A2733 7.329 30.886 34.388 1.00 0.00 O -ATOM 8198 H1 TIP3A2733 7.358 31.078 33.451 1.00 0.00 H -ATOM 8199 H2 TIP3A2733 6.396 30.886 34.604 1.00 0.00 H -ATOM 8200 O1 TIP3A2734 12.277 7.165 9.974 1.00 0.00 O -ATOM 8201 H1 TIP3A2734 12.659 8.040 9.917 1.00 0.00 H -ATOM 8202 H2 TIP3A2734 12.822 6.628 9.398 1.00 0.00 H -ATOM 8203 O1 TIP3A2735 35.366 27.062 3.853 1.00 0.00 O -ATOM 8204 H1 TIP3A2735 35.513 27.811 4.430 1.00 0.00 H -ATOM 8205 H2 TIP3A2735 34.415 26.946 3.849 1.00 0.00 H -ATOM 8206 O1 TIP3A2736 31.563 3.296 55.474 1.00 0.00 O -ATOM 8207 H1 TIP3A2736 31.512 2.670 54.752 1.00 0.00 H -ATOM 8208 H2 TIP3A2736 30.927 3.975 55.248 1.00 0.00 H -ATOM 8209 O1 TIP3A2737 17.989 54.697 7.125 1.00 0.00 O -ATOM 8210 H1 TIP3A2737 17.221 54.732 7.694 1.00 0.00 H -ATOM 8211 H2 TIP3A2737 18.275 55.608 7.051 1.00 0.00 H -ATOM 8212 O1 TIP3A2738 24.882 20.771 2.517 1.00 0.00 O -ATOM 8213 H1 TIP3A2738 25.312 21.601 2.312 1.00 0.00 H -ATOM 8214 H2 TIP3A2738 24.455 20.925 3.361 1.00 0.00 H -ATOM 8215 O1 TIP3A2739 12.975 37.504 10.244 1.00 0.00 O -ATOM 8216 H1 TIP3A2739 13.084 38.448 10.137 1.00 0.00 H -ATOM 8217 H2 TIP3A2739 13.680 37.120 9.723 1.00 0.00 H -ATOM 8218 O1 TIP3A2740 31.337 37.126 6.581 1.00 0.00 O -ATOM 8219 H1 TIP3A2740 31.777 36.693 7.311 1.00 0.00 H -ATOM 8220 H2 TIP3A2740 30.541 36.613 6.441 1.00 0.00 H -ATOM 8221 O1 TIP3A2741 56.955 47.843 8.916 1.00 0.00 O -ATOM 8222 H1 TIP3A2741 57.911 47.872 8.915 1.00 0.00 H -ATOM 8223 H2 TIP3A2741 56.698 48.410 9.644 1.00 0.00 H -ATOM 8224 O1 TIP3A2742 0.782 24.338 11.644 1.00 0.00 O -ATOM 8225 H1 TIP3A2742 0.677 23.560 11.098 1.00 0.00 H -ATOM 8226 H2 TIP3A2742 1.487 24.832 11.225 1.00 0.00 H -ATOM 8227 O1 TIP3A2743 12.034 17.241 37.321 1.00 0.00 O -ATOM 8228 H1 TIP3A2743 12.587 17.517 38.051 1.00 0.00 H -ATOM 8229 H2 TIP3A2743 11.193 17.023 37.725 1.00 0.00 H -ATOM 8230 O1 TIP3A2744 0.545 1.612 54.121 1.00 0.00 O -ATOM 8231 H1 TIP3A2744 0.789 0.753 53.778 1.00 0.00 H -ATOM 8232 H2 TIP3A2744 0.569 2.190 53.358 1.00 0.00 H -ATOM 8233 O1 TIP3A2745 44.940 35.300 34.877 1.00 0.00 O -ATOM 8234 H1 TIP3A2745 44.884 35.734 34.026 1.00 0.00 H -ATOM 8235 H2 TIP3A2745 44.038 35.046 35.076 1.00 0.00 H -ATOM 8236 O1 TIP3A2746 34.930 50.454 50.047 1.00 0.00 O -ATOM 8237 H1 TIP3A2746 35.205 49.995 49.254 1.00 0.00 H -ATOM 8238 H2 TIP3A2746 34.139 49.994 50.329 1.00 0.00 H -ATOM 8239 O1 TIP3A2747 47.011 8.260 24.695 1.00 0.00 O -ATOM 8240 H1 TIP3A2747 46.068 8.345 24.830 1.00 0.00 H -ATOM 8241 H2 TIP3A2747 47.336 7.873 25.508 1.00 0.00 H -ATOM 8242 O1 TIP3A2748 43.275 52.257 27.443 1.00 0.00 O -ATOM 8243 H1 TIP3A2748 42.530 52.776 27.744 1.00 0.00 H -ATOM 8244 H2 TIP3A2748 42.928 51.735 26.719 1.00 0.00 H -ATOM 8245 O1 TIP3A2749 24.538 36.720 33.064 1.00 0.00 O -ATOM 8246 H1 TIP3A2749 24.901 35.880 32.785 1.00 0.00 H -ATOM 8247 H2 TIP3A2749 24.085 36.525 33.885 1.00 0.00 H -ATOM 8248 O1 TIP3A2750 10.333 57.243 42.404 1.00 0.00 O -ATOM 8249 H1 TIP3A2750 10.073 57.197 41.485 1.00 0.00 H -ATOM 8250 H2 TIP3A2750 10.262 56.341 42.719 1.00 0.00 H -ATOM 8251 O1 TIP3A2751 11.082 6.460 54.462 1.00 0.00 O -ATOM 8252 H1 TIP3A2751 11.927 6.013 54.480 1.00 0.00 H -ATOM 8253 H2 TIP3A2751 10.436 5.753 54.471 1.00 0.00 H -ATOM 8254 O1 TIP3A2752 5.471 8.927 47.948 1.00 0.00 O -ATOM 8255 H1 TIP3A2752 6.000 8.831 47.156 1.00 0.00 H -ATOM 8256 H2 TIP3A2752 5.535 8.077 48.384 1.00 0.00 H -ATOM 8257 O1 TIP3A2753 51.331 33.442 32.505 1.00 0.00 O -ATOM 8258 H1 TIP3A2753 52.049 33.837 32.998 1.00 0.00 H -ATOM 8259 H2 TIP3A2753 50.549 33.903 32.809 1.00 0.00 H -ATOM 8260 O1 TIP3A2754 27.332 52.704 14.306 1.00 0.00 O -ATOM 8261 H1 TIP3A2754 26.651 52.495 14.945 1.00 0.00 H -ATOM 8262 H2 TIP3A2754 27.339 53.661 14.268 1.00 0.00 H -ATOM 8263 O1 TIP3A2755 5.297 52.217 30.553 1.00 0.00 O -ATOM 8264 H1 TIP3A2755 5.189 53.161 30.450 1.00 0.00 H -ATOM 8265 H2 TIP3A2755 5.960 51.979 29.904 1.00 0.00 H -ATOM 8266 O1 TIP3A2756 37.111 53.192 46.525 1.00 0.00 O -ATOM 8267 H1 TIP3A2756 36.537 53.378 45.783 1.00 0.00 H -ATOM 8268 H2 TIP3A2756 36.852 53.825 47.195 1.00 0.00 H -ATOM 8269 O1 TIP3A2757 50.656 54.651 55.904 1.00 0.00 O -ATOM 8270 H1 TIP3A2757 51.082 54.957 56.704 1.00 0.00 H -ATOM 8271 H2 TIP3A2757 51.364 54.596 55.261 1.00 0.00 H -ATOM 8272 O1 TIP3A2758 29.629 22.605 0.030 1.00 0.00 O -ATOM 8273 H1 TIP3A2758 28.957 23.285 -0.001 1.00 0.00 H -ATOM 8274 H2 TIP3A2758 29.443 22.121 0.835 1.00 0.00 H -ATOM 8275 O1 TIP3A2759 17.335 56.753 36.398 1.00 0.00 O -ATOM 8276 H1 TIP3A2759 17.142 56.015 36.976 1.00 0.00 H -ATOM 8277 H2 TIP3A2759 16.573 57.327 36.480 1.00 0.00 H -ATOM 8278 O1 TIP3A2760 22.993 53.289 7.028 1.00 0.00 O -ATOM 8279 H1 TIP3A2760 22.824 54.011 6.424 1.00 0.00 H -ATOM 8280 H2 TIP3A2760 23.948 53.229 7.070 1.00 0.00 H -ATOM 8281 O1 TIP3A2761 39.302 29.126 6.558 1.00 0.00 O -ATOM 8282 H1 TIP3A2761 39.700 28.768 5.765 1.00 0.00 H -ATOM 8283 H2 TIP3A2761 38.360 29.012 6.425 1.00 0.00 H -ATOM 8284 O1 TIP3A2762 4.364 5.454 50.165 1.00 0.00 O -ATOM 8285 H1 TIP3A2762 4.472 5.960 50.970 1.00 0.00 H -ATOM 8286 H2 TIP3A2762 4.222 4.555 50.464 1.00 0.00 H -ATOM 8287 O1 TIP3A2763 24.351 40.733 10.199 1.00 0.00 O -ATOM 8288 H1 TIP3A2763 23.607 41.332 10.239 1.00 0.00 H -ATOM 8289 H2 TIP3A2763 24.163 40.070 10.864 1.00 0.00 H -ATOM 8290 O1 TIP3A2764 2.260 26.041 38.697 1.00 0.00 O -ATOM 8291 H1 TIP3A2764 2.479 25.112 38.759 1.00 0.00 H -ATOM 8292 H2 TIP3A2764 1.747 26.114 37.892 1.00 0.00 H -ATOM 8293 O1 TIP3A2765 8.528 41.551 17.486 1.00 0.00 O -ATOM 8294 H1 TIP3A2765 8.161 42.431 17.401 1.00 0.00 H -ATOM 8295 H2 TIP3A2765 7.909 41.087 18.050 1.00 0.00 H -ATOM 8296 O1 TIP3A2766 34.790 2.157 21.731 1.00 0.00 O -ATOM 8297 H1 TIP3A2766 34.341 2.955 22.009 1.00 0.00 H -ATOM 8298 H2 TIP3A2766 34.361 1.915 20.909 1.00 0.00 H -ATOM 8299 O1 TIP3A2767 53.175 6.171 5.641 1.00 0.00 O -ATOM 8300 H1 TIP3A2767 53.585 6.833 5.084 1.00 0.00 H -ATOM 8301 H2 TIP3A2767 53.142 5.385 5.094 1.00 0.00 H -ATOM 8302 O1 TIP3A2768 20.751 50.047 44.367 1.00 0.00 O -ATOM 8303 H1 TIP3A2768 21.028 50.535 43.592 1.00 0.00 H -ATOM 8304 H2 TIP3A2768 20.689 50.707 45.058 1.00 0.00 H -ATOM 8305 O1 TIP3A2769 38.738 29.607 32.687 1.00 0.00 O -ATOM 8306 H1 TIP3A2769 39.618 29.245 32.787 1.00 0.00 H -ATOM 8307 H2 TIP3A2769 38.635 29.730 31.743 1.00 0.00 H -ATOM 8308 O1 TIP3A2770 13.738 16.756 54.815 1.00 0.00 O -ATOM 8309 H1 TIP3A2770 13.063 16.617 54.151 1.00 0.00 H -ATOM 8310 H2 TIP3A2770 13.993 17.673 54.709 1.00 0.00 H -ATOM 8311 O1 TIP3A2771 1.356 27.204 40.570 1.00 0.00 O -ATOM 8312 H1 TIP3A2771 2.237 27.526 40.383 1.00 0.00 H -ATOM 8313 H2 TIP3A2771 0.954 27.897 41.094 1.00 0.00 H -ATOM 8314 O1 TIP3A2772 22.670 17.142 48.914 1.00 0.00 O -ATOM 8315 H1 TIP3A2772 23.369 16.499 48.800 1.00 0.00 H -ATOM 8316 H2 TIP3A2772 22.009 16.897 48.266 1.00 0.00 H -ATOM 8317 O1 TIP3A2773 15.134 21.179 38.727 1.00 0.00 O -ATOM 8318 H1 TIP3A2773 15.359 20.725 39.538 1.00 0.00 H -ATOM 8319 H2 TIP3A2773 14.720 20.509 38.183 1.00 0.00 H -ATOM 8320 O1 TIP3A2774 50.029 10.069 56.066 1.00 0.00 O -ATOM 8321 H1 TIP3A2774 50.757 9.551 55.725 1.00 0.00 H -ATOM 8322 H2 TIP3A2774 49.370 10.042 55.371 1.00 0.00 H -ATOM 8323 O1 TIP3A2775 47.642 50.177 9.911 1.00 0.00 O -ATOM 8324 H1 TIP3A2775 48.526 50.541 9.938 1.00 0.00 H -ATOM 8325 H2 TIP3A2775 47.072 50.916 10.126 1.00 0.00 H -ATOM 8326 O1 TIP3A2776 2.470 54.448 48.161 1.00 0.00 O -ATOM 8327 H1 TIP3A2776 2.530 55.234 47.619 1.00 0.00 H -ATOM 8328 H2 TIP3A2776 3.380 54.207 48.336 1.00 0.00 H -ATOM 8329 O1 TIP3A2777 5.629 9.956 44.260 1.00 0.00 O -ATOM 8330 H1 TIP3A2777 5.565 9.897 45.212 1.00 0.00 H -ATOM 8331 H2 TIP3A2777 5.106 9.220 43.938 1.00 0.00 H -ATOM 8332 O1 TIP3A2778 31.827 51.827 52.977 1.00 0.00 O -ATOM 8333 H1 TIP3A2778 31.234 51.113 53.207 1.00 0.00 H -ATOM 8334 H2 TIP3A2778 32.696 51.424 52.966 1.00 0.00 H -ATOM 8335 O1 TIP3A2779 25.660 4.734 52.906 1.00 0.00 O -ATOM 8336 H1 TIP3A2779 24.774 4.378 52.850 1.00 0.00 H -ATOM 8337 H2 TIP3A2779 26.089 4.204 53.579 1.00 0.00 H -ATOM 8338 O1 TIP3A2780 16.610 31.203 18.367 1.00 0.00 O -ATOM 8339 H1 TIP3A2780 17.292 31.408 19.005 1.00 0.00 H -ATOM 8340 H2 TIP3A2780 16.156 30.445 18.736 1.00 0.00 H -ATOM 8341 O1 TIP3A2781 13.956 25.618 49.901 1.00 0.00 O -ATOM 8342 H1 TIP3A2781 13.784 25.120 50.699 1.00 0.00 H -ATOM 8343 H2 TIP3A2781 14.768 26.091 50.084 1.00 0.00 H -ATOM 8344 O1 TIP3A2782 36.111 19.938 11.868 1.00 0.00 O -ATOM 8345 H1 TIP3A2782 36.194 20.848 12.149 1.00 0.00 H -ATOM 8346 H2 TIP3A2782 36.374 19.946 10.947 1.00 0.00 H -ATOM 8347 O1 TIP3A2783 46.511 40.670 50.186 1.00 0.00 O -ATOM 8348 H1 TIP3A2783 46.367 41.239 49.430 1.00 0.00 H -ATOM 8349 H2 TIP3A2783 46.173 41.169 50.930 1.00 0.00 H -ATOM 8350 O1 TIP3A2784 50.866 35.886 14.196 1.00 0.00 O -ATOM 8351 H1 TIP3A2784 51.739 36.188 13.949 1.00 0.00 H -ATOM 8352 H2 TIP3A2784 50.679 36.338 15.020 1.00 0.00 H -ATOM 8353 O1 TIP3A2785 2.666 7.953 33.727 1.00 0.00 O -ATOM 8354 H1 TIP3A2785 3.317 7.445 34.211 1.00 0.00 H -ATOM 8355 H2 TIP3A2785 3.152 8.330 32.993 1.00 0.00 H -ATOM 8356 O1 TIP3A2786 11.712 11.194 17.467 1.00 0.00 O -ATOM 8357 H1 TIP3A2786 11.642 10.306 17.816 1.00 0.00 H -ATOM 8358 H2 TIP3A2786 12.602 11.469 17.689 1.00 0.00 H -ATOM 8359 O1 TIP3A2787 49.549 18.120 31.905 1.00 0.00 O -ATOM 8360 H1 TIP3A2787 49.691 19.019 31.610 1.00 0.00 H -ATOM 8361 H2 TIP3A2787 49.388 18.198 32.846 1.00 0.00 H -ATOM 8362 O1 TIP3A2788 18.638 2.659 16.532 1.00 0.00 O -ATOM 8363 H1 TIP3A2788 18.639 2.278 15.655 1.00 0.00 H -ATOM 8364 H2 TIP3A2788 17.923 2.213 16.987 1.00 0.00 H -ATOM 8365 O1 TIP3A2789 28.527 43.516 45.195 1.00 0.00 O -ATOM 8366 H1 TIP3A2789 29.006 43.196 45.959 1.00 0.00 H -ATOM 8367 H2 TIP3A2789 27.690 43.051 45.225 1.00 0.00 H -ATOM 8368 O1 TIP3A2790 25.784 52.951 3.411 1.00 0.00 O -ATOM 8369 H1 TIP3A2790 25.215 52.685 4.133 1.00 0.00 H -ATOM 8370 H2 TIP3A2790 26.203 52.139 3.125 1.00 0.00 H -ATOM 8371 O1 TIP3A2791 49.513 12.459 53.629 1.00 0.00 O -ATOM 8372 H1 TIP3A2791 48.697 12.343 53.143 1.00 0.00 H -ATOM 8373 H2 TIP3A2791 49.798 11.568 53.835 1.00 0.00 H -ATOM 8374 O1 TIP3A2792 53.206 57.486 56.290 1.00 0.00 O -ATOM 8375 H1 TIP3A2792 52.840 56.644 56.023 1.00 0.00 H -ATOM 8376 H2 TIP3A2792 53.570 57.856 55.485 1.00 0.00 H -ATOM 8377 O1 TIP3A2793 1.512 14.466 41.855 1.00 0.00 O -ATOM 8378 H1 TIP3A2793 1.636 15.352 42.194 1.00 0.00 H -ATOM 8379 H2 TIP3A2793 1.052 14.004 42.556 1.00 0.00 H -ATOM 8380 O1 TIP3A2794 47.978 3.389 54.854 1.00 0.00 O -ATOM 8381 H1 TIP3A2794 47.774 2.581 54.384 1.00 0.00 H -ATOM 8382 H2 TIP3A2794 47.402 3.375 55.619 1.00 0.00 H -ATOM 8383 O1 TIP3A2795 57.697 31.012 33.480 1.00 0.00 O -ATOM 8384 H1 TIP3A2795 57.600 31.091 32.532 1.00 0.00 H -ATOM 8385 H2 TIP3A2795 57.356 30.140 33.684 1.00 0.00 H -ATOM 8386 O1 TIP3A2796 38.720 54.642 40.746 1.00 0.00 O -ATOM 8387 H1 TIP3A2796 37.901 54.501 41.220 1.00 0.00 H -ATOM 8388 H2 TIP3A2796 38.462 55.124 39.959 1.00 0.00 H -ATOM 8389 O1 TIP3A2797 30.075 40.688 24.527 1.00 0.00 O -ATOM 8390 H1 TIP3A2797 29.979 41.607 24.281 1.00 0.00 H -ATOM 8391 H2 TIP3A2797 30.983 40.611 24.821 1.00 0.00 H -ATOM 8392 O1 TIP3A2798 32.305 42.832 12.568 1.00 0.00 O -ATOM 8393 H1 TIP3A2798 32.659 41.945 12.615 1.00 0.00 H -ATOM 8394 H2 TIP3A2798 31.562 42.763 11.969 1.00 0.00 H -ATOM 8395 O1 TIP3A2799 4.013 38.641 10.494 1.00 0.00 O -ATOM 8396 H1 TIP3A2799 4.871 38.548 10.906 1.00 0.00 H -ATOM 8397 H2 TIP3A2799 3.780 39.560 10.629 1.00 0.00 H -ATOM 8398 O1 TIP3A2800 5.455 31.128 49.717 1.00 0.00 O -ATOM 8399 H1 TIP3A2800 5.127 31.948 50.085 1.00 0.00 H -ATOM 8400 H2 TIP3A2800 4.798 30.878 49.066 1.00 0.00 H -ATOM 8401 O1 TIP3A2801 39.837 7.709 25.151 1.00 0.00 O -ATOM 8402 H1 TIP3A2801 40.168 8.209 25.896 1.00 0.00 H -ATOM 8403 H2 TIP3A2801 38.895 7.639 25.306 1.00 0.00 H -ATOM 8404 O1 TIP3A2802 16.665 50.397 30.508 1.00 0.00 O -ATOM 8405 H1 TIP3A2802 16.702 49.447 30.407 1.00 0.00 H -ATOM 8406 H2 TIP3A2802 16.632 50.734 29.612 1.00 0.00 H -ATOM 8407 O1 TIP3A2803 15.522 54.244 26.838 1.00 0.00 O -ATOM 8408 H1 TIP3A2803 16.049 55.011 27.060 1.00 0.00 H -ATOM 8409 H2 TIP3A2803 16.153 53.525 26.792 1.00 0.00 H -ATOM 8410 O1 TIP3A2804 47.948 39.898 14.743 1.00 0.00 O -ATOM 8411 H1 TIP3A2804 48.509 40.662 14.609 1.00 0.00 H -ATOM 8412 H2 TIP3A2804 47.437 40.110 15.525 1.00 0.00 H -ATOM 8413 O1 TIP3A2805 13.869 23.322 13.893 1.00 0.00 O -ATOM 8414 H1 TIP3A2805 14.514 24.027 13.942 1.00 0.00 H -ATOM 8415 H2 TIP3A2805 14.212 22.730 13.222 1.00 0.00 H -ATOM 8416 O1 TIP3A2806 29.539 20.595 20.505 1.00 0.00 O -ATOM 8417 H1 TIP3A2806 29.440 21.527 20.315 1.00 0.00 H -ATOM 8418 H2 TIP3A2806 30.335 20.542 21.035 1.00 0.00 H -ATOM 8419 O1 TIP3A2807 44.781 11.509 3.611 1.00 0.00 O -ATOM 8420 H1 TIP3A2807 44.616 11.726 2.695 1.00 0.00 H -ATOM 8421 H2 TIP3A2807 43.915 11.323 3.974 1.00 0.00 H -ATOM 8422 O1 TIP3A2808 53.088 18.774 54.871 1.00 0.00 O -ATOM 8423 H1 TIP3A2808 53.934 19.191 55.029 1.00 0.00 H -ATOM 8424 H2 TIP3A2808 52.448 19.474 54.999 1.00 0.00 H -ATOM 8425 O1 TIP3A2809 43.751 30.293 57.333 1.00 0.00 O -ATOM 8426 H1 TIP3A2809 42.851 30.575 57.496 1.00 0.00 H -ATOM 8427 H2 TIP3A2809 44.084 30.917 56.687 1.00 0.00 H -ATOM 8428 O1 TIP3A2810 21.983 31.073 39.806 1.00 0.00 O -ATOM 8429 H1 TIP3A2810 22.056 32.001 39.588 1.00 0.00 H -ATOM 8430 H2 TIP3A2810 21.632 31.063 40.697 1.00 0.00 H -ATOM 8431 O1 TIP3A2811 28.217 46.535 1.396 1.00 0.00 O -ATOM 8432 H1 TIP3A2811 28.780 45.956 0.883 1.00 0.00 H -ATOM 8433 H2 TIP3A2811 28.326 47.396 0.991 1.00 0.00 H -ATOM 8434 O1 TIP3A2812 47.193 6.424 6.381 1.00 0.00 O -ATOM 8435 H1 TIP3A2812 46.456 6.426 5.770 1.00 0.00 H -ATOM 8436 H2 TIP3A2812 46.987 5.725 7.002 1.00 0.00 H -ATOM 8437 O1 TIP3A2813 33.790 48.032 29.210 1.00 0.00 O -ATOM 8438 H1 TIP3A2813 33.453 48.220 28.334 1.00 0.00 H -ATOM 8439 H2 TIP3A2813 33.162 47.412 29.581 1.00 0.00 H -ATOM 8440 O1 TIP3A2814 39.360 50.337 29.236 1.00 0.00 O -ATOM 8441 H1 TIP3A2814 38.819 49.630 28.885 1.00 0.00 H -ATOM 8442 H2 TIP3A2814 39.586 50.049 30.122 1.00 0.00 H -ATOM 8443 O1 TIP3A2815 12.206 53.992 37.687 1.00 0.00 O -ATOM 8444 H1 TIP3A2815 12.950 54.517 37.980 1.00 0.00 H -ATOM 8445 H2 TIP3A2815 12.571 53.409 37.021 1.00 0.00 H -ATOM 8446 O1 TIP3A2816 28.937 14.556 13.653 1.00 0.00 O -ATOM 8447 H1 TIP3A2816 29.777 14.333 13.254 1.00 0.00 H -ATOM 8448 H2 TIP3A2816 28.322 14.586 12.920 1.00 0.00 H -ATOM 8449 O1 TIP3A2817 26.317 24.331 5.110 1.00 0.00 O -ATOM 8450 H1 TIP3A2817 25.902 23.989 4.319 1.00 0.00 H -ATOM 8451 H2 TIP3A2817 27.203 24.567 4.834 1.00 0.00 H -ATOM 8452 O1 TIP3A2818 23.893 11.895 45.593 1.00 0.00 O -ATOM 8453 H1 TIP3A2818 24.361 11.091 45.371 1.00 0.00 H -ATOM 8454 H2 TIP3A2818 24.538 12.591 45.464 1.00 0.00 H -ATOM 8455 O1 TIP3A2819 27.227 18.648 36.824 1.00 0.00 O -ATOM 8456 H1 TIP3A2819 26.507 19.267 36.705 1.00 0.00 H -ATOM 8457 H2 TIP3A2819 26.809 17.857 37.165 1.00 0.00 H -ATOM 8458 O1 TIP3A2820 23.684 33.238 8.618 1.00 0.00 O -ATOM 8459 H1 TIP3A2820 23.790 34.186 8.693 1.00 0.00 H -ATOM 8460 H2 TIP3A2820 22.784 33.074 8.901 1.00 0.00 H -ATOM 8461 O1 TIP3A2821 54.147 41.014 41.995 1.00 0.00 O -ATOM 8462 H1 TIP3A2821 54.909 40.511 41.708 1.00 0.00 H -ATOM 8463 H2 TIP3A2821 53.526 40.944 41.270 1.00 0.00 H -ATOM 8464 O1 TIP3A2822 1.789 9.762 54.564 1.00 0.00 O -ATOM 8465 H1 TIP3A2822 0.908 9.458 54.351 1.00 0.00 H -ATOM 8466 H2 TIP3A2822 1.658 10.419 55.248 1.00 0.00 H -ATOM 8467 O1 TIP3A2823 47.913 28.012 12.976 1.00 0.00 O -ATOM 8468 H1 TIP3A2823 47.095 27.552 12.790 1.00 0.00 H -ATOM 8469 H2 TIP3A2823 47.881 28.792 12.421 1.00 0.00 H -ATOM 8470 O1 TIP3A2824 29.882 9.415 29.365 1.00 0.00 O -ATOM 8471 H1 TIP3A2824 30.504 8.709 29.194 1.00 0.00 H -ATOM 8472 H2 TIP3A2824 30.163 10.128 28.791 1.00 0.00 H -ATOM 8473 O1 TIP3A2825 52.545 3.721 0.899 1.00 0.00 O -ATOM 8474 H1 TIP3A2825 52.791 3.915 1.803 1.00 0.00 H -ATOM 8475 H2 TIP3A2825 53.341 3.890 0.392 1.00 0.00 H -ATOM 8476 O1 TIP3A2826 53.290 23.375 19.099 1.00 0.00 O -ATOM 8477 H1 TIP3A2826 53.860 22.610 19.035 1.00 0.00 H -ATOM 8478 H2 TIP3A2826 52.680 23.282 18.366 1.00 0.00 H -ATOM 8479 O1 TIP3A2827 52.471 47.301 32.461 1.00 0.00 O -ATOM 8480 H1 TIP3A2827 51.536 47.491 32.526 1.00 0.00 H -ATOM 8481 H2 TIP3A2827 52.834 48.044 31.978 1.00 0.00 H -ATOM 8482 O1 TIP3A2828 39.493 1.047 43.092 1.00 0.00 O -ATOM 8483 H1 TIP3A2828 38.591 0.732 43.036 1.00 0.00 H -ATOM 8484 H2 TIP3A2828 39.850 0.615 43.869 1.00 0.00 H -ATOM 8485 O1 TIP3A2829 4.121 48.897 46.422 1.00 0.00 O -ATOM 8486 H1 TIP3A2829 3.317 48.916 45.903 1.00 0.00 H -ATOM 8487 H2 TIP3A2829 4.729 48.368 45.904 1.00 0.00 H -ATOM 8488 O1 TIP3A2830 3.592 24.713 48.920 1.00 0.00 O -ATOM 8489 H1 TIP3A2830 2.841 24.121 48.890 1.00 0.00 H -ATOM 8490 H2 TIP3A2830 4.117 24.398 49.656 1.00 0.00 H -ATOM 8491 O1 TIP3A2831 44.811 24.620 30.778 1.00 0.00 O -ATOM 8492 H1 TIP3A2831 44.702 25.571 30.775 1.00 0.00 H -ATOM 8493 H2 TIP3A2831 45.719 24.483 31.049 1.00 0.00 H -ATOM 8494 O1 TIP3A2832 47.664 39.381 1.887 1.00 0.00 O -ATOM 8495 H1 TIP3A2832 46.953 39.874 2.295 1.00 0.00 H -ATOM 8496 H2 TIP3A2832 47.260 38.959 1.128 1.00 0.00 H -ATOM 8497 O1 TIP3A2833 11.213 32.590 56.652 1.00 0.00 O -ATOM 8498 H1 TIP3A2833 11.617 32.513 55.788 1.00 0.00 H -ATOM 8499 H2 TIP3A2833 11.950 32.596 57.263 1.00 0.00 H -ATOM 8500 O1 TIP3A2834 6.379 15.287 52.389 1.00 0.00 O -ATOM 8501 H1 TIP3A2834 5.603 15.781 52.651 1.00 0.00 H -ATOM 8502 H2 TIP3A2834 6.385 14.524 52.967 1.00 0.00 H -ATOM 8503 O1 TIP3A2835 26.223 0.819 11.536 1.00 0.00 O -ATOM 8504 H1 TIP3A2835 26.992 0.732 12.099 1.00 0.00 H -ATOM 8505 H2 TIP3A2835 25.507 0.441 12.047 1.00 0.00 H -ATOM 8506 O1 TIP3A2836 38.420 38.119 45.028 1.00 0.00 O -ATOM 8507 H1 TIP3A2836 37.590 38.474 44.710 1.00 0.00 H -ATOM 8508 H2 TIP3A2836 39.087 38.558 44.499 1.00 0.00 H -ATOM 8509 O1 TIP3A2837 4.035 31.388 9.640 1.00 0.00 O -ATOM 8510 H1 TIP3A2837 3.872 30.448 9.714 1.00 0.00 H -ATOM 8511 H2 TIP3A2837 4.734 31.561 10.272 1.00 0.00 H -ATOM 8512 O1 TIP3A2838 25.578 7.639 26.121 1.00 0.00 O -ATOM 8513 H1 TIP3A2838 24.875 7.692 26.767 1.00 0.00 H -ATOM 8514 H2 TIP3A2838 26.073 6.858 26.367 1.00 0.00 H -ATOM 8515 O1 TIP3A2839 54.724 45.407 46.960 1.00 0.00 O -ATOM 8516 H1 TIP3A2839 55.671 45.315 46.860 1.00 0.00 H -ATOM 8517 H2 TIP3A2839 54.597 46.322 47.213 1.00 0.00 H -ATOM 8518 O1 TIP3A2840 33.208 11.862 26.409 1.00 0.00 O -ATOM 8519 H1 TIP3A2840 32.479 11.250 26.501 1.00 0.00 H -ATOM 8520 H2 TIP3A2840 33.030 12.327 25.592 1.00 0.00 H -ATOM 8521 O1 TIP3A2841 18.787 25.671 12.790 1.00 0.00 O -ATOM 8522 H1 TIP3A2841 18.221 26.425 12.626 1.00 0.00 H -ATOM 8523 H2 TIP3A2841 19.639 25.928 12.436 1.00 0.00 H -ATOM 8524 O1 TIP3A2842 27.257 0.782 17.892 1.00 0.00 O -ATOM 8525 H1 TIP3A2842 27.933 1.332 18.286 1.00 0.00 H -ATOM 8526 H2 TIP3A2842 27.232 -0.000 18.445 1.00 0.00 H -ATOM 8527 O1 TIP3A2843 38.897 57.616 41.836 1.00 0.00 O -ATOM 8528 H1 TIP3A2843 39.369 57.207 41.112 1.00 0.00 H -ATOM 8529 H2 TIP3A2843 38.238 56.969 42.090 1.00 0.00 H -ATOM 8530 O1 TIP3A2844 35.447 57.498 35.779 1.00 0.00 O -ATOM 8531 H1 TIP3A2844 35.598 56.667 35.329 1.00 0.00 H -ATOM 8532 H2 TIP3A2844 34.896 58.000 35.178 1.00 0.00 H -ATOM 8533 O1 TIP3A2845 20.397 45.745 3.112 1.00 0.00 O -ATOM 8534 H1 TIP3A2845 21.223 45.298 2.931 1.00 0.00 H -ATOM 8535 H2 TIP3A2845 19.844 45.544 2.356 1.00 0.00 H -ATOM 8536 O1 TIP3A2846 2.975 11.873 21.312 1.00 0.00 O -ATOM 8537 H1 TIP3A2846 3.616 12.582 21.323 1.00 0.00 H -ATOM 8538 H2 TIP3A2846 2.330 12.122 21.975 1.00 0.00 H -ATOM 8539 O1 TIP3A2847 1.205 29.294 6.954 1.00 0.00 O -ATOM 8540 H1 TIP3A2847 0.398 29.389 7.459 1.00 0.00 H -ATOM 8541 H2 TIP3A2847 1.526 28.420 7.177 1.00 0.00 H -ATOM 8542 O1 TIP3A2848 8.477 37.309 8.390 1.00 0.00 O -ATOM 8543 H1 TIP3A2848 8.957 38.130 8.291 1.00 0.00 H -ATOM 8544 H2 TIP3A2848 8.796 36.943 9.216 1.00 0.00 H -ATOM 8545 O1 TIP3A2849 13.777 5.607 50.462 1.00 0.00 O -ATOM 8546 H1 TIP3A2849 13.712 4.782 50.942 1.00 0.00 H -ATOM 8547 H2 TIP3A2849 13.047 5.583 49.842 1.00 0.00 H -ATOM 8548 O1 TIP3A2850 0.345 7.027 47.631 1.00 0.00 O -ATOM 8549 H1 TIP3A2850 0.402 7.339 48.533 1.00 0.00 H -ATOM 8550 H2 TIP3A2850 0.015 7.778 47.137 1.00 0.00 H -ATOM 8551 O1 TIP3A2851 9.517 40.012 47.137 1.00 0.00 O -ATOM 8552 H1 TIP3A2851 10.113 40.286 47.833 1.00 0.00 H -ATOM 8553 H2 TIP3A2851 9.815 40.491 46.363 1.00 0.00 H -ATOM 8554 O1 TIP3A2852 40.631 37.834 8.800 1.00 0.00 O -ATOM 8555 H1 TIP3A2852 39.756 37.453 8.865 1.00 0.00 H -ATOM 8556 H2 TIP3A2852 40.539 38.540 8.159 1.00 0.00 H -ATOM 8557 O1 TIP3A2853 13.703 45.643 55.777 1.00 0.00 O -ATOM 8558 H1 TIP3A2853 13.790 46.247 55.040 1.00 0.00 H -ATOM 8559 H2 TIP3A2853 14.571 45.631 56.182 1.00 0.00 H -ATOM 8560 O1 TIP3A2854 54.196 54.013 31.861 1.00 0.00 O -ATOM 8561 H1 TIP3A2854 54.225 53.961 32.816 1.00 0.00 H -ATOM 8562 H2 TIP3A2854 54.335 53.112 31.568 1.00 0.00 H -ATOM 8563 O1 TIP3A2855 46.129 25.443 45.172 1.00 0.00 O -ATOM 8564 H1 TIP3A2855 45.284 25.032 45.353 1.00 0.00 H -ATOM 8565 H2 TIP3A2855 45.962 26.016 44.424 1.00 0.00 H -ATOM 8566 O1 TIP3A2856 49.766 34.445 26.427 1.00 0.00 O -ATOM 8567 H1 TIP3A2856 50.023 33.647 25.965 1.00 0.00 H -ATOM 8568 H2 TIP3A2856 49.087 34.159 27.039 1.00 0.00 H -ATOM 8569 O1 TIP3A2857 15.771 26.592 36.349 1.00 0.00 O -ATOM 8570 H1 TIP3A2857 16.212 27.031 35.623 1.00 0.00 H -ATOM 8571 H2 TIP3A2857 14.951 26.269 35.973 1.00 0.00 H -ATOM 8572 O1 TIP3A2858 43.215 13.588 29.313 1.00 0.00 O -ATOM 8573 H1 TIP3A2858 42.768 13.270 28.529 1.00 0.00 H -ATOM 8574 H2 TIP3A2858 43.905 14.163 28.980 1.00 0.00 H -ATOM 8575 O1 TIP3A2859 43.598 7.599 35.472 1.00 0.00 O -ATOM 8576 H1 TIP3A2859 44.419 7.109 35.434 1.00 0.00 H -ATOM 8577 H2 TIP3A2859 43.862 8.493 35.694 1.00 0.00 H -ATOM 8578 O1 TIP3A2860 29.724 40.236 57.644 1.00 0.00 O -ATOM 8579 H1 TIP3A2860 30.124 40.364 56.785 1.00 0.00 H -ATOM 8580 H2 TIP3A2860 29.048 39.574 57.498 1.00 0.00 H -ATOM 8581 O1 TIP3A2861 37.314 20.523 22.076 1.00 0.00 O -ATOM 8582 H1 TIP3A2861 38.085 21.063 21.909 1.00 0.00 H -ATOM 8583 H2 TIP3A2861 37.555 19.654 21.754 1.00 0.00 H -ATOM 8584 O1 TIP3A2862 5.901 2.591 26.891 1.00 0.00 O -ATOM 8585 H1 TIP3A2862 5.889 1.688 27.207 1.00 0.00 H -ATOM 8586 H2 TIP3A2862 6.373 2.547 26.058 1.00 0.00 H -ATOM 8587 O1 TIP3A2863 12.171 27.424 41.097 1.00 0.00 O -ATOM 8588 H1 TIP3A2863 12.988 27.876 41.305 1.00 0.00 H -ATOM 8589 H2 TIP3A2863 12.432 26.712 40.512 1.00 0.00 H -ATOM 8590 O1 TIP3A2864 52.631 4.866 30.709 1.00 0.00 O -ATOM 8591 H1 TIP3A2864 51.750 5.111 30.990 1.00 0.00 H -ATOM 8592 H2 TIP3A2864 52.595 3.914 30.609 1.00 0.00 H -ATOM 8593 O1 TIP3A2865 31.788 27.519 12.909 1.00 0.00 O -ATOM 8594 H1 TIP3A2865 31.141 27.190 12.287 1.00 0.00 H -ATOM 8595 H2 TIP3A2865 31.442 27.275 13.768 1.00 0.00 H -ATOM 8596 O1 TIP3A2866 10.334 31.672 35.706 1.00 0.00 O -ATOM 8597 H1 TIP3A2866 10.155 31.849 34.783 1.00 0.00 H -ATOM 8598 H2 TIP3A2866 11.288 31.717 35.778 1.00 0.00 H -ATOM 8599 O1 TIP3A2867 0.378 44.084 38.085 1.00 0.00 O -ATOM 8600 H1 TIP3A2867 1.328 44.131 37.987 1.00 0.00 H -ATOM 8601 H2 TIP3A2867 0.189 44.615 38.859 1.00 0.00 H -ATOM 8602 O1 TIP3A2868 6.584 16.306 37.166 1.00 0.00 O -ATOM 8603 H1 TIP3A2868 6.766 15.660 36.485 1.00 0.00 H -ATOM 8604 H2 TIP3A2868 6.315 17.091 36.688 1.00 0.00 H -ATOM 8605 O1 TIP3A2869 46.784 49.617 26.079 1.00 0.00 O -ATOM 8606 H1 TIP3A2869 46.963 50.552 25.987 1.00 0.00 H -ATOM 8607 H2 TIP3A2869 46.824 49.457 27.023 1.00 0.00 H -ATOM 8608 O1 TIP3A2870 3.509 3.722 28.732 1.00 0.00 O -ATOM 8609 H1 TIP3A2870 3.514 2.769 28.812 1.00 0.00 H -ATOM 8610 H2 TIP3A2870 2.883 3.901 28.030 1.00 0.00 H -ATOM 8611 O1 TIP3A2871 22.169 49.928 27.500 1.00 0.00 O -ATOM 8612 H1 TIP3A2871 22.260 50.130 26.570 1.00 0.00 H -ATOM 8613 H2 TIP3A2871 21.641 50.646 27.851 1.00 0.00 H -ATOM 8614 O1 TIP3A2872 7.970 8.922 38.964 1.00 0.00 O -ATOM 8615 H1 TIP3A2872 7.477 8.102 38.955 1.00 0.00 H -ATOM 8616 H2 TIP3A2872 7.384 9.558 38.552 1.00 0.00 H -ATOM 8617 O1 TIP3A2873 15.301 44.594 30.656 1.00 0.00 O -ATOM 8618 H1 TIP3A2873 14.749 45.206 31.141 1.00 0.00 H -ATOM 8619 H2 TIP3A2873 14.688 43.959 30.285 1.00 0.00 H -ATOM 8620 O1 TIP3A2874 48.243 34.302 6.288 1.00 0.00 O -ATOM 8621 H1 TIP3A2874 48.059 33.497 6.772 1.00 0.00 H -ATOM 8622 H2 TIP3A2874 48.961 34.713 6.771 1.00 0.00 H -ATOM 8623 O1 TIP3A2875 22.571 14.794 30.808 1.00 0.00 O -ATOM 8624 H1 TIP3A2875 21.844 14.175 30.868 1.00 0.00 H -ATOM 8625 H2 TIP3A2875 23.355 14.254 30.907 1.00 0.00 H -ATOM 8626 O1 TIP3A2876 17.094 39.812 21.695 1.00 0.00 O -ATOM 8627 H1 TIP3A2876 17.878 39.574 21.200 1.00 0.00 H -ATOM 8628 H2 TIP3A2876 16.560 39.017 21.696 1.00 0.00 H -ATOM 8629 O1 TIP3A2877 37.435 40.771 12.580 1.00 0.00 O -ATOM 8630 H1 TIP3A2877 36.620 40.359 12.295 1.00 0.00 H -ATOM 8631 H2 TIP3A2877 37.190 41.676 12.775 1.00 0.00 H -ATOM 8632 O1 TIP3A2878 16.159 3.742 44.712 1.00 0.00 O -ATOM 8633 H1 TIP3A2878 15.557 3.514 44.004 1.00 0.00 H -ATOM 8634 H2 TIP3A2878 16.485 2.899 45.031 1.00 0.00 H -ATOM 8635 O1 TIP3A2879 16.899 5.045 32.121 1.00 0.00 O -ATOM 8636 H1 TIP3A2879 16.538 5.841 32.509 1.00 0.00 H -ATOM 8637 H2 TIP3A2879 16.492 4.993 31.256 1.00 0.00 H -ATOM 8638 O1 TIP3A2880 19.152 50.034 57.340 1.00 0.00 O -ATOM 8639 H1 TIP3A2880 19.743 50.143 56.596 1.00 0.00 H -ATOM 8640 H2 TIP3A2880 18.676 50.863 57.392 1.00 0.00 H -ATOM 8641 O1 TIP3A2881 43.886 16.737 0.296 1.00 0.00 O -ATOM 8642 H1 TIP3A2881 44.700 16.289 0.067 1.00 0.00 H -ATOM 8643 H2 TIP3A2881 44.162 17.472 0.844 1.00 0.00 H -ATOM 8644 O1 TIP3A2882 30.521 29.980 33.439 1.00 0.00 O -ATOM 8645 H1 TIP3A2882 30.228 30.606 34.100 1.00 0.00 H -ATOM 8646 H2 TIP3A2882 30.991 29.309 33.936 1.00 0.00 H -ATOM 8647 O1 TIP3A2883 13.509 0.569 30.340 1.00 0.00 O -ATOM 8648 H1 TIP3A2883 14.408 0.257 30.445 1.00 0.00 H -ATOM 8649 H2 TIP3A2883 13.557 1.507 30.526 1.00 0.00 H -ATOM 8650 O1 TIP3A2884 48.800 3.856 47.069 1.00 0.00 O -ATOM 8651 H1 TIP3A2884 49.168 4.414 46.385 1.00 0.00 H -ATOM 8652 H2 TIP3A2884 48.046 4.345 47.399 1.00 0.00 H -ATOM 8653 O1 TIP3A2885 33.808 29.811 19.200 1.00 0.00 O -ATOM 8654 H1 TIP3A2885 34.257 29.251 19.833 1.00 0.00 H -ATOM 8655 H2 TIP3A2885 32.900 29.838 19.506 1.00 0.00 H -ATOM 8656 O1 TIP3A2886 17.140 24.876 18.316 1.00 0.00 O -ATOM 8657 H1 TIP3A2886 17.194 24.332 17.531 1.00 0.00 H -ATOM 8658 H2 TIP3A2886 17.374 24.286 19.033 1.00 0.00 H -ATOM 8659 O1 TIP3A2887 6.642 39.047 8.480 1.00 0.00 O -ATOM 8660 H1 TIP3A2887 6.337 38.290 8.978 1.00 0.00 H -ATOM 8661 H2 TIP3A2887 5.855 39.389 8.055 1.00 0.00 H -ATOM 8662 O1 TIP3A2888 15.847 37.319 0.486 1.00 0.00 O -ATOM 8663 H1 TIP3A2888 14.982 36.926 0.370 1.00 0.00 H -ATOM 8664 H2 TIP3A2888 16.241 36.824 1.205 1.00 0.00 H -ATOM 8665 O1 TIP3A2889 31.956 4.540 19.801 1.00 0.00 O -ATOM 8666 H1 TIP3A2889 31.066 4.563 20.151 1.00 0.00 H -ATOM 8667 H2 TIP3A2889 32.485 4.177 20.512 1.00 0.00 H -ATOM 8668 O1 TIP3A2890 17.049 28.186 39.175 1.00 0.00 O -ATOM 8669 H1 TIP3A2890 17.396 28.891 38.629 1.00 0.00 H -ATOM 8670 H2 TIP3A2890 17.766 27.968 39.771 1.00 0.00 H -ATOM 8671 O1 TIP3A2891 3.319 50.758 5.572 1.00 0.00 O -ATOM 8672 H1 TIP3A2891 2.498 50.268 5.592 1.00 0.00 H -ATOM 8673 H2 TIP3A2891 3.178 51.436 4.910 1.00 0.00 H -ATOM 8674 O1 TIP3A2892 0.479 3.013 34.809 1.00 0.00 O -ATOM 8675 H1 TIP3A2892 1.358 2.677 34.637 1.00 0.00 H -ATOM 8676 H2 TIP3A2892 0.029 2.951 33.967 1.00 0.00 H -ATOM 8677 O1 TIP3A2893 9.646 0.979 3.309 1.00 0.00 O -ATOM 8678 H1 TIP3A2893 8.775 0.593 3.215 1.00 0.00 H -ATOM 8679 H2 TIP3A2893 10.244 0.231 3.283 1.00 0.00 H -ATOM 8680 O1 TIP3A2894 30.191 29.433 7.400 1.00 0.00 O -ATOM 8681 H1 TIP3A2894 29.433 29.576 7.966 1.00 0.00 H -ATOM 8682 H2 TIP3A2894 30.082 28.539 7.073 1.00 0.00 H -ATOM 8683 O1 TIP3A2895 52.074 48.368 43.363 1.00 0.00 O -ATOM 8684 H1 TIP3A2895 52.468 49.237 43.294 1.00 0.00 H -ATOM 8685 H2 TIP3A2895 52.082 48.174 44.301 1.00 0.00 H -ATOM 8686 O1 TIP3A2896 25.499 34.581 54.199 1.00 0.00 O -ATOM 8687 H1 TIP3A2896 26.148 34.173 54.771 1.00 0.00 H -ATOM 8688 H2 TIP3A2896 24.662 34.432 54.641 1.00 0.00 H -ATOM 8689 O1 TIP3A2897 48.332 42.637 8.406 1.00 0.00 O -ATOM 8690 H1 TIP3A2897 49.287 42.579 8.394 1.00 0.00 H -ATOM 8691 H2 TIP3A2897 48.043 41.990 7.762 1.00 0.00 H -ATOM 8692 O1 TIP3A2898 32.729 14.289 26.606 1.00 0.00 O -ATOM 8693 H1 TIP3A2898 32.847 14.541 25.690 1.00 0.00 H -ATOM 8694 H2 TIP3A2898 31.841 13.934 26.645 1.00 0.00 H -ATOM 8695 O1 TIP3A2899 27.283 47.312 41.909 1.00 0.00 O -ATOM 8696 H1 TIP3A2899 27.899 47.804 42.450 1.00 0.00 H -ATOM 8697 H2 TIP3A2899 26.635 47.960 41.633 1.00 0.00 H -ATOM 8698 O1 TIP3A2900 41.920 6.818 43.122 1.00 0.00 O -ATOM 8699 H1 TIP3A2900 41.591 6.654 44.005 1.00 0.00 H -ATOM 8700 H2 TIP3A2900 42.264 7.711 43.156 1.00 0.00 H -ATOM 8701 O1 TIP3A2901 37.979 10.144 12.850 1.00 0.00 O -ATOM 8702 H1 TIP3A2901 37.093 10.495 12.930 1.00 0.00 H -ATOM 8703 H2 TIP3A2901 37.992 9.719 11.992 1.00 0.00 H -ATOM 8704 O1 TIP3A2902 18.853 48.524 31.900 1.00 0.00 O -ATOM 8705 H1 TIP3A2902 18.128 47.917 31.756 1.00 0.00 H -ATOM 8706 H2 TIP3A2902 18.431 49.371 32.048 1.00 0.00 H -ATOM 8707 O1 TIP3A2903 46.649 1.606 33.901 1.00 0.00 O -ATOM 8708 H1 TIP3A2903 46.921 1.130 33.118 1.00 0.00 H -ATOM 8709 H2 TIP3A2903 45.985 2.222 33.590 1.00 0.00 H -ATOM 8710 O1 TIP3A2904 54.316 55.120 53.355 1.00 0.00 O -ATOM 8711 H1 TIP3A2904 53.860 55.961 53.348 1.00 0.00 H -ATOM 8712 H2 TIP3A2904 55.053 55.241 52.755 1.00 0.00 H -ATOM 8713 O1 TIP3A2905 22.678 38.873 3.728 1.00 0.00 O -ATOM 8714 H1 TIP3A2905 23.131 39.576 3.264 1.00 0.00 H -ATOM 8715 H2 TIP3A2905 23.239 38.681 4.480 1.00 0.00 H -ATOM 8716 O1 TIP3A2906 12.835 46.005 18.557 1.00 0.00 O -ATOM 8717 H1 TIP3A2906 12.104 45.398 18.447 1.00 0.00 H -ATOM 8718 H2 TIP3A2906 13.388 45.596 19.224 1.00 0.00 H -ATOM 8719 O1 TIP3A2907 49.901 36.149 45.174 1.00 0.00 O -ATOM 8720 H1 TIP3A2907 49.240 35.776 44.592 1.00 0.00 H -ATOM 8721 H2 TIP3A2907 49.634 35.869 46.051 1.00 0.00 H -ATOM 8722 O1 TIP3A2908 49.613 2.933 17.671 1.00 0.00 O -ATOM 8723 H1 TIP3A2908 50.204 2.186 17.587 1.00 0.00 H -ATOM 8724 H2 TIP3A2908 49.486 3.242 16.773 1.00 0.00 H -ATOM 8725 O1 TIP3A2909 15.785 7.941 1.302 1.00 0.00 O -ATOM 8726 H1 TIP3A2909 15.352 8.724 1.641 1.00 0.00 H -ATOM 8727 H2 TIP3A2909 15.206 7.628 0.606 1.00 0.00 H -ATOM 8728 O1 TIP3A2910 40.010 0.001 52.063 1.00 0.00 O -ATOM 8729 H1 TIP3A2910 39.116 -0.000 51.722 1.00 0.00 H -ATOM 8730 H2 TIP3A2910 40.299 0.909 51.977 1.00 0.00 H -ATOM 8731 O1 TIP3A2911 8.686 34.112 20.656 1.00 0.00 O -ATOM 8732 H1 TIP3A2911 9.209 34.802 21.062 1.00 0.00 H -ATOM 8733 H2 TIP3A2911 9.213 33.819 19.911 1.00 0.00 H -ATOM 8734 O1 TIP3A2912 29.356 23.849 48.330 1.00 0.00 O -ATOM 8735 H1 TIP3A2912 29.107 23.768 47.410 1.00 0.00 H -ATOM 8736 H2 TIP3A2912 30.308 23.745 48.331 1.00 0.00 H -ATOM 8737 O1 TIP3A2913 31.142 16.531 0.156 1.00 0.00 O -ATOM 8738 H1 TIP3A2913 31.919 16.078 0.481 1.00 0.00 H -ATOM 8739 H2 TIP3A2913 30.595 16.657 0.932 1.00 0.00 H -ATOM 8740 O1 TIP3A2914 56.374 5.521 41.733 1.00 0.00 O -ATOM 8741 H1 TIP3A2914 56.443 5.777 42.652 1.00 0.00 H -ATOM 8742 H2 TIP3A2914 56.703 6.278 41.247 1.00 0.00 H -ATOM 8743 O1 TIP3A2915 39.928 30.808 45.107 1.00 0.00 O -ATOM 8744 H1 TIP3A2915 40.727 30.945 44.599 1.00 0.00 H -ATOM 8745 H2 TIP3A2915 39.359 31.539 44.862 1.00 0.00 H -ATOM 8746 O1 TIP3A2916 52.287 19.272 12.906 1.00 0.00 O -ATOM 8747 H1 TIP3A2916 51.722 20.039 12.997 1.00 0.00 H -ATOM 8748 H2 TIP3A2916 52.820 19.457 12.132 1.00 0.00 H -ATOM 8749 O1 TIP3A2917 26.539 51.630 32.437 1.00 0.00 O -ATOM 8750 H1 TIP3A2917 25.964 52.300 32.069 1.00 0.00 H -ATOM 8751 H2 TIP3A2917 27.321 51.656 31.886 1.00 0.00 H -ATOM 8752 O1 TIP3A2918 28.876 27.901 55.439 1.00 0.00 O -ATOM 8753 H1 TIP3A2918 28.961 27.698 56.370 1.00 0.00 H -ATOM 8754 H2 TIP3A2918 28.008 27.573 55.200 1.00 0.00 H -ATOM 8755 O1 TIP3A2919 55.186 26.631 56.400 1.00 0.00 O -ATOM 8756 H1 TIP3A2919 54.511 25.977 56.224 1.00 0.00 H -ATOM 8757 H2 TIP3A2919 54.699 27.427 56.615 1.00 0.00 H -ATOM 8758 O1 TIP3A2920 52.641 6.745 38.001 1.00 0.00 O -ATOM 8759 H1 TIP3A2920 53.015 6.656 38.878 1.00 0.00 H -ATOM 8760 H2 TIP3A2920 53.345 6.472 37.412 1.00 0.00 H -ATOM 8761 O1 TIP3A2921 36.088 38.263 21.634 1.00 0.00 O -ATOM 8762 H1 TIP3A2921 35.190 38.480 21.881 1.00 0.00 H -ATOM 8763 H2 TIP3A2921 36.528 39.111 21.563 1.00 0.00 H -ATOM 8764 O1 TIP3A2922 3.382 43.370 52.547 1.00 0.00 O -ATOM 8765 H1 TIP3A2922 4.231 43.004 52.791 1.00 0.00 H -ATOM 8766 H2 TIP3A2922 3.043 42.767 51.884 1.00 0.00 H -ATOM 8767 O1 TIP3A2923 29.209 28.199 33.276 1.00 0.00 O -ATOM 8768 H1 TIP3A2923 29.415 27.303 33.538 1.00 0.00 H -ATOM 8769 H2 TIP3A2923 28.809 28.591 34.053 1.00 0.00 H -ATOM 8770 O1 TIP3A2924 25.933 16.986 1.584 1.00 0.00 O -ATOM 8771 H1 TIP3A2924 26.211 17.868 1.831 1.00 0.00 H -ATOM 8772 H2 TIP3A2924 26.241 16.881 0.683 1.00 0.00 H -ATOM 8773 O1 TIP3A2925 31.464 24.528 8.596 1.00 0.00 O -ATOM 8774 H1 TIP3A2925 32.382 24.297 8.736 1.00 0.00 H -ATOM 8775 H2 TIP3A2925 31.149 23.885 7.959 1.00 0.00 H -ATOM 8776 O1 TIP3A2926 21.723 46.423 6.909 1.00 0.00 O -ATOM 8777 H1 TIP3A2926 21.576 47.160 6.316 1.00 0.00 H -ATOM 8778 H2 TIP3A2926 20.845 46.154 7.180 1.00 0.00 H -ATOM 8779 O1 TIP3A2927 7.811 2.311 41.557 1.00 0.00 O -ATOM 8780 H1 TIP3A2927 8.761 2.412 41.512 1.00 0.00 H -ATOM 8781 H2 TIP3A2927 7.665 1.371 41.445 1.00 0.00 H -ATOM 8782 O1 TIP3A2928 36.505 9.999 16.313 1.00 0.00 O -ATOM 8783 H1 TIP3A2928 36.721 10.040 15.382 1.00 0.00 H -ATOM 8784 H2 TIP3A2928 37.082 9.320 16.664 1.00 0.00 H -ATOM 8785 O1 TIP3A2929 34.212 22.970 13.754 1.00 0.00 O -ATOM 8786 H1 TIP3A2929 33.285 23.197 13.679 1.00 0.00 H -ATOM 8787 H2 TIP3A2929 34.617 23.742 14.150 1.00 0.00 H -ATOM 8788 O1 TIP3A2930 56.033 37.126 22.928 1.00 0.00 O -ATOM 8789 H1 TIP3A2930 56.055 38.080 22.864 1.00 0.00 H -ATOM 8790 H2 TIP3A2930 55.373 36.946 23.598 1.00 0.00 H -ATOM 8791 O1 TIP3A2931 1.118 7.094 24.204 1.00 0.00 O -ATOM 8792 H1 TIP3A2931 1.708 7.711 23.773 1.00 0.00 H -ATOM 8793 H2 TIP3A2931 0.262 7.264 23.809 1.00 0.00 H -ATOM 8794 O1 TIP3A2932 8.010 49.636 10.251 1.00 0.00 O -ATOM 8795 H1 TIP3A2932 8.478 49.438 9.441 1.00 0.00 H -ATOM 8796 H2 TIP3A2932 7.696 50.533 10.134 1.00 0.00 H -ATOM 8797 O1 TIP3A2933 20.500 1.729 4.748 1.00 0.00 O -ATOM 8798 H1 TIP3A2933 20.176 1.881 5.636 1.00 0.00 H -ATOM 8799 H2 TIP3A2933 20.505 2.597 4.343 1.00 0.00 H -ATOM 8800 O1 TIP3A2934 40.062 32.858 27.532 1.00 0.00 O -ATOM 8801 H1 TIP3A2934 39.280 32.791 26.987 1.00 0.00 H -ATOM 8802 H2 TIP3A2934 40.634 32.156 27.221 1.00 0.00 H -ATOM 8803 O1 TIP3A2935 40.963 30.487 36.094 1.00 0.00 O -ATOM 8804 H1 TIP3A2935 40.567 31.357 36.115 1.00 0.00 H -ATOM 8805 H2 TIP3A2935 41.156 30.333 35.169 1.00 0.00 H -ATOM 8806 O1 TIP3A2936 25.021 45.698 40.016 1.00 0.00 O -ATOM 8807 H1 TIP3A2936 24.671 45.467 39.156 1.00 0.00 H -ATOM 8808 H2 TIP3A2936 25.083 46.654 40.001 1.00 0.00 H -ATOM 8809 O1 TIP3A2937 19.921 21.991 53.148 1.00 0.00 O -ATOM 8810 H1 TIP3A2937 19.217 22.143 53.778 1.00 0.00 H -ATOM 8811 H2 TIP3A2937 20.623 22.580 53.426 1.00 0.00 H -ATOM 8812 O1 TIP3A2938 34.746 4.100 19.026 1.00 0.00 O -ATOM 8813 H1 TIP3A2938 34.976 3.965 18.107 1.00 0.00 H -ATOM 8814 H2 TIP3A2938 34.170 3.365 19.239 1.00 0.00 H -ATOM 8815 O1 TIP3A2939 48.484 9.352 6.394 1.00 0.00 O -ATOM 8816 H1 TIP3A2939 47.865 9.862 5.872 1.00 0.00 H -ATOM 8817 H2 TIP3A2939 48.995 10.008 6.869 1.00 0.00 H -ATOM 8818 O1 TIP3A2940 53.122 4.488 27.840 1.00 0.00 O -ATOM 8819 H1 TIP3A2940 52.175 4.362 27.894 1.00 0.00 H -ATOM 8820 H2 TIP3A2940 53.483 3.877 28.483 1.00 0.00 H -ATOM 8821 O1 TIP3A2941 56.675 39.987 36.123 1.00 0.00 O -ATOM 8822 H1 TIP3A2941 57.495 40.376 36.426 1.00 0.00 H -ATOM 8823 H2 TIP3A2941 56.912 39.524 35.319 1.00 0.00 H -ATOM 8824 O1 TIP3A2942 24.453 26.319 30.927 1.00 0.00 O -ATOM 8825 H1 TIP3A2942 24.001 27.162 30.920 1.00 0.00 H -ATOM 8826 H2 TIP3A2942 25.285 26.490 30.484 1.00 0.00 H -ATOM 8827 O1 TIP3A2943 21.812 44.791 37.819 1.00 0.00 O -ATOM 8828 H1 TIP3A2943 22.107 44.488 36.961 1.00 0.00 H -ATOM 8829 H2 TIP3A2943 22.620 44.982 38.297 1.00 0.00 H -ATOM 8830 O1 TIP3A2944 51.953 12.800 45.501 1.00 0.00 O -ATOM 8831 H1 TIP3A2944 52.435 13.488 45.958 1.00 0.00 H -ATOM 8832 H2 TIP3A2944 52.562 12.061 45.470 1.00 0.00 H -ATOM 8833 O1 TIP3A2945 9.349 54.803 7.140 1.00 0.00 O -ATOM 8834 H1 TIP3A2945 8.465 55.152 7.249 1.00 0.00 H -ATOM 8835 H2 TIP3A2945 9.759 54.916 7.998 1.00 0.00 H -ATOM 8836 O1 TIP3A2946 55.611 31.914 6.642 1.00 0.00 O -ATOM 8837 H1 TIP3A2946 55.868 31.319 5.939 1.00 0.00 H -ATOM 8838 H2 TIP3A2946 56.121 32.709 6.483 1.00 0.00 H -ATOM 8839 O1 TIP3A2947 37.321 3.794 5.765 1.00 0.00 O -ATOM 8840 H1 TIP3A2947 36.839 2.971 5.694 1.00 0.00 H -ATOM 8841 H2 TIP3A2947 36.901 4.375 5.130 1.00 0.00 H -ATOM 8842 O1 TIP3A2948 24.753 12.678 18.182 1.00 0.00 O -ATOM 8843 H1 TIP3A2948 23.797 12.705 18.162 1.00 0.00 H -ATOM 8844 H2 TIP3A2948 24.977 12.776 19.108 1.00 0.00 H -ATOM 8845 O1 TIP3A2949 56.027 45.779 27.069 1.00 0.00 O -ATOM 8846 H1 TIP3A2949 56.134 46.678 27.376 1.00 0.00 H -ATOM 8847 H2 TIP3A2949 55.792 45.866 26.144 1.00 0.00 H -ATOM 8848 O1 TIP3A2950 25.121 58.002 44.724 1.00 0.00 O -ATOM 8849 H1 TIP3A2950 25.789 57.417 45.080 1.00 0.00 H -ATOM 8850 H2 TIP3A2950 24.418 57.417 44.439 1.00 0.00 H -ATOM 8851 O1 TIP3A2951 16.162 18.070 4.238 1.00 0.00 O -ATOM 8852 H1 TIP3A2951 16.086 18.397 3.343 1.00 0.00 H -ATOM 8853 H2 TIP3A2951 17.084 18.198 4.463 1.00 0.00 H -ATOM 8854 O1 TIP3A2952 49.756 25.176 5.135 1.00 0.00 O -ATOM 8855 H1 TIP3A2952 48.801 25.223 5.107 1.00 0.00 H -ATOM 8856 H2 TIP3A2952 49.962 25.037 6.060 1.00 0.00 H -ATOM 8857 O1 TIP3A2953 26.983 36.311 -0.003 1.00 0.00 O -ATOM 8858 H1 TIP3A2953 27.646 35.838 0.498 1.00 0.00 H -ATOM 8859 H2 TIP3A2953 26.208 35.750 0.035 1.00 0.00 H -ATOM 8860 O1 TIP3A2954 38.071 56.890 36.905 1.00 0.00 O -ATOM 8861 H1 TIP3A2954 37.126 56.853 37.048 1.00 0.00 H -ATOM 8862 H2 TIP3A2954 38.451 56.618 37.741 1.00 0.00 H -ATOM 8863 O1 TIP3A2955 24.102 8.220 20.964 1.00 0.00 O -ATOM 8864 H1 TIP3A2955 23.659 8.931 21.426 1.00 0.00 H -ATOM 8865 H2 TIP3A2955 23.410 7.796 20.456 1.00 0.00 H -ATOM 8866 O1 TIP3A2956 35.419 36.917 4.940 1.00 0.00 O -ATOM 8867 H1 TIP3A2956 36.140 36.341 5.190 1.00 0.00 H -ATOM 8868 H2 TIP3A2956 35.428 36.912 3.982 1.00 0.00 H -ATOM 8869 O1 TIP3A2957 13.651 8.628 46.679 1.00 0.00 O -ATOM 8870 H1 TIP3A2957 14.093 9.465 46.822 1.00 0.00 H -ATOM 8871 H2 TIP3A2957 14.346 8.036 46.390 1.00 0.00 H -ATOM 8872 O1 TIP3A2958 15.398 4.436 52.679 1.00 0.00 O -ATOM 8873 H1 TIP3A2958 15.848 4.040 53.424 1.00 0.00 H -ATOM 8874 H2 TIP3A2958 16.087 4.572 52.027 1.00 0.00 H -ATOM 8875 O1 TIP3A2959 29.696 26.231 46.299 1.00 0.00 O -ATOM 8876 H1 TIP3A2959 29.683 25.538 45.639 1.00 0.00 H -ATOM 8877 H2 TIP3A2959 29.096 25.926 46.980 1.00 0.00 H -ATOM 8878 O1 TIP3A2960 6.351 9.709 23.637 1.00 0.00 O -ATOM 8879 H1 TIP3A2960 5.584 9.157 23.490 1.00 0.00 H -ATOM 8880 H2 TIP3A2960 6.295 10.383 22.958 1.00 0.00 H -ATOM 8881 O1 TIP3A2961 35.448 10.163 40.184 1.00 0.00 O -ATOM 8882 H1 TIP3A2961 36.294 10.526 39.925 1.00 0.00 H -ATOM 8883 H2 TIP3A2961 35.018 9.941 39.357 1.00 0.00 H -ATOM 8884 O1 TIP3A2962 19.751 15.171 28.850 1.00 0.00 O -ATOM 8885 H1 TIP3A2962 19.911 15.755 28.110 1.00 0.00 H -ATOM 8886 H2 TIP3A2962 20.612 15.054 29.254 1.00 0.00 H -ATOM 8887 O1 TIP3A2963 32.568 41.361 4.677 1.00 0.00 O -ATOM 8888 H1 TIP3A2963 33.282 40.953 4.190 1.00 0.00 H -ATOM 8889 H2 TIP3A2963 31.778 40.924 4.359 1.00 0.00 H -ATOM 8890 O1 TIP3A2964 55.526 9.501 45.042 1.00 0.00 O -ATOM 8891 H1 TIP3A2964 55.937 9.929 44.291 1.00 0.00 H -ATOM 8892 H2 TIP3A2964 55.861 8.604 45.020 1.00 0.00 H -ATOM 8893 O1 TIP3A2965 27.820 5.401 50.921 1.00 0.00 O -ATOM 8894 H1 TIP3A2965 28.176 6.249 51.183 1.00 0.00 H -ATOM 8895 H2 TIP3A2965 26.899 5.436 51.182 1.00 0.00 H -ATOM 8896 O1 TIP3A2966 1.001 22.768 6.074 1.00 0.00 O -ATOM 8897 H1 TIP3A2966 0.077 22.680 6.305 1.00 0.00 H -ATOM 8898 H2 TIP3A2966 1.356 23.373 6.726 1.00 0.00 H -ATOM 8899 O1 TIP3A2967 47.641 2.157 3.679 1.00 0.00 O -ATOM 8900 H1 TIP3A2967 47.514 1.449 4.310 1.00 0.00 H -ATOM 8901 H2 TIP3A2967 46.790 2.253 3.251 1.00 0.00 H -ATOM 8902 O1 TIP3A2968 50.361 44.736 10.166 1.00 0.00 O -ATOM 8903 H1 TIP3A2968 49.473 45.090 10.130 1.00 0.00 H -ATOM 8904 H2 TIP3A2968 50.824 45.177 9.453 1.00 0.00 H -ATOM 8905 O1 TIP3A2969 13.475 27.307 16.664 1.00 0.00 O -ATOM 8906 H1 TIP3A2969 13.361 27.109 15.735 1.00 0.00 H -ATOM 8907 H2 TIP3A2969 13.850 26.508 17.036 1.00 0.00 H -ATOM 8908 O1 TIP3A2970 31.206 11.937 40.436 1.00 0.00 O -ATOM 8909 H1 TIP3A2970 30.283 12.037 40.207 1.00 0.00 H -ATOM 8910 H2 TIP3A2970 31.308 12.432 41.249 1.00 0.00 H -ATOM 8911 O1 TIP3A2971 1.534 57.274 34.755 1.00 0.00 O -ATOM 8912 H1 TIP3A2971 1.951 58.070 34.428 1.00 0.00 H -ATOM 8913 H2 TIP3A2971 0.686 57.567 35.090 1.00 0.00 H -ATOM 8914 O1 TIP3A2972 32.711 42.267 36.696 1.00 0.00 O -ATOM 8915 H1 TIP3A2972 33.666 42.278 36.745 1.00 0.00 H -ATOM 8916 H2 TIP3A2972 32.433 42.981 37.271 1.00 0.00 H -ATOM 8917 O1 TIP3A2973 48.207 50.678 35.703 1.00 0.00 O -ATOM 8918 H1 TIP3A2973 48.826 50.899 36.398 1.00 0.00 H -ATOM 8919 H2 TIP3A2973 48.543 51.131 34.929 1.00 0.00 H -ATOM 8920 O1 TIP3A2974 22.297 15.751 46.394 1.00 0.00 O -ATOM 8921 H1 TIP3A2974 21.619 15.083 46.292 1.00 0.00 H -ATOM 8922 H2 TIP3A2974 22.534 15.992 45.498 1.00 0.00 H -ATOM 8923 O1 TIP3A2975 11.649 29.874 6.398 1.00 0.00 O -ATOM 8924 H1 TIP3A2975 10.914 29.302 6.180 1.00 0.00 H -ATOM 8925 H2 TIP3A2975 11.544 30.630 5.820 1.00 0.00 H -ATOM 8926 O1 TIP3A2976 33.773 49.906 26.229 1.00 0.00 O -ATOM 8927 H1 TIP3A2976 33.518 48.985 26.271 1.00 0.00 H -ATOM 8928 H2 TIP3A2976 34.500 49.982 26.848 1.00 0.00 H -ATOM 8929 O1 TIP3A2977 21.015 34.442 0.772 1.00 0.00 O -ATOM 8930 H1 TIP3A2977 20.376 33.815 1.109 1.00 0.00 H -ATOM 8931 H2 TIP3A2977 21.272 34.957 1.537 1.00 0.00 H -ATOM 8932 O1 TIP3A2978 12.749 57.845 52.842 1.00 0.00 O -ATOM 8933 H1 TIP3A2978 12.777 56.915 52.620 1.00 0.00 H -ATOM 8934 H2 TIP3A2978 12.634 57.862 53.793 1.00 0.00 H -ATOM 8935 O1 TIP3A2979 3.769 20.054 11.690 1.00 0.00 O -ATOM 8936 H1 TIP3A2979 3.026 19.563 12.039 1.00 0.00 H -ATOM 8937 H2 TIP3A2979 4.530 19.503 11.877 1.00 0.00 H -ATOM 8938 O1 TIP3A2980 39.913 10.776 41.967 1.00 0.00 O -ATOM 8939 H1 TIP3A2980 40.570 10.474 41.341 1.00 0.00 H -ATOM 8940 H2 TIP3A2980 40.422 11.098 42.712 1.00 0.00 H -ATOM 8941 O1 TIP3A2981 33.231 39.893 14.836 1.00 0.00 O -ATOM 8942 H1 TIP3A2981 33.040 39.902 13.898 1.00 0.00 H -ATOM 8943 H2 TIP3A2981 33.602 40.759 15.013 1.00 0.00 H -ATOM 8944 O1 TIP3A2982 49.091 2.270 42.625 1.00 0.00 O -ATOM 8945 H1 TIP3A2982 48.874 3.201 42.595 1.00 0.00 H -ATOM 8946 H2 TIP3A2982 49.755 2.156 41.944 1.00 0.00 H -ATOM 8947 O1 TIP3A2983 42.357 49.006 30.269 1.00 0.00 O -ATOM 8948 H1 TIP3A2983 41.742 49.597 29.835 1.00 0.00 H -ATOM 8949 H2 TIP3A2983 43.115 49.555 30.471 1.00 0.00 H -ATOM 8950 O1 TIP3A2984 3.049 18.611 49.637 1.00 0.00 O -ATOM 8951 H1 TIP3A2984 2.569 18.160 50.330 1.00 0.00 H -ATOM 8952 H2 TIP3A2984 2.582 18.380 48.833 1.00 0.00 H -ATOM 8953 O1 TIP3A2985 46.225 33.641 33.924 1.00 0.00 O -ATOM 8954 H1 TIP3A2985 45.361 33.531 33.529 1.00 0.00 H -ATOM 8955 H2 TIP3A2985 46.335 32.869 34.480 1.00 0.00 H -ATOM 8956 O1 TIP3A2986 26.753 14.358 16.454 1.00 0.00 O -ATOM 8957 H1 TIP3A2986 26.677 14.153 15.522 1.00 0.00 H -ATOM 8958 H2 TIP3A2986 27.693 14.323 16.632 1.00 0.00 H -ATOM 8959 O1 TIP3A2987 6.399 32.612 41.675 1.00 0.00 O -ATOM 8960 H1 TIP3A2987 7.218 32.182 41.920 1.00 0.00 H -ATOM 8961 H2 TIP3A2987 6.622 33.542 41.624 1.00 0.00 H -ATOM 8962 O1 TIP3A2988 20.778 5.067 15.213 1.00 0.00 O -ATOM 8963 H1 TIP3A2988 20.275 5.246 16.007 1.00 0.00 H -ATOM 8964 H2 TIP3A2988 21.050 5.931 14.902 1.00 0.00 H -ATOM 8965 O1 TIP3A2989 33.614 30.015 48.450 1.00 0.00 O -ATOM 8966 H1 TIP3A2989 34.496 29.706 48.656 1.00 0.00 H -ATOM 8967 H2 TIP3A2989 33.554 30.870 48.878 1.00 0.00 H -ATOM 8968 O1 TIP3A2990 18.869 27.394 45.448 1.00 0.00 O -ATOM 8969 H1 TIP3A2990 19.263 27.966 46.106 1.00 0.00 H -ATOM 8970 H2 TIP3A2990 19.405 27.524 44.665 1.00 0.00 H -ATOM 8971 O1 TIP3A2991 27.381 7.776 45.165 1.00 0.00 O -ATOM 8972 H1 TIP3A2991 27.316 8.718 45.322 1.00 0.00 H -ATOM 8973 H2 TIP3A2991 26.970 7.376 45.931 1.00 0.00 H -ATOM 8974 O1 TIP3A2992 7.143 3.027 32.872 1.00 0.00 O -ATOM 8975 H1 TIP3A2992 7.852 3.468 33.339 1.00 0.00 H -ATOM 8976 H2 TIP3A2992 6.822 2.369 33.490 1.00 0.00 H -ATOM 8977 O1 TIP3A2993 27.359 35.145 46.982 1.00 0.00 O -ATOM 8978 H1 TIP3A2993 28.005 34.783 46.377 1.00 0.00 H -ATOM 8979 H2 TIP3A2993 27.239 34.462 47.642 1.00 0.00 H -ATOM 8980 O1 TIP3A2994 56.181 14.634 15.548 1.00 0.00 O -ATOM 8981 H1 TIP3A2994 56.785 14.908 16.238 1.00 0.00 H -ATOM 8982 H2 TIP3A2994 56.598 13.866 15.155 1.00 0.00 H -ATOM 8983 O1 TIP3A2995 38.800 3.029 17.739 1.00 0.00 O -ATOM 8984 H1 TIP3A2995 38.784 3.538 16.929 1.00 0.00 H -ATOM 8985 H2 TIP3A2995 37.884 2.993 18.018 1.00 0.00 H -ATOM 8986 O1 TIP3A2996 9.767 47.931 8.251 1.00 0.00 O -ATOM 8987 H1 TIP3A2996 8.863 47.684 8.060 1.00 0.00 H -ATOM 8988 H2 TIP3A2996 9.945 48.664 7.660 1.00 0.00 H -ATOM 8989 O1 TIP3A2997 36.859 13.022 47.748 1.00 0.00 O -ATOM 8990 H1 TIP3A2997 36.409 13.758 48.160 1.00 0.00 H -ATOM 8991 H2 TIP3A2997 36.156 12.429 47.482 1.00 0.00 H -ATOM 8992 O1 TIP3A2998 0.793 46.562 36.508 1.00 0.00 O -ATOM 8993 H1 TIP3A2998 0.015 46.168 36.116 1.00 0.00 H -ATOM 8994 H2 TIP3A2998 1.097 47.195 35.857 1.00 0.00 H -ATOM 8995 O1 TIP3A2999 39.316 51.047 47.888 1.00 0.00 O -ATOM 8996 H1 TIP3A2999 40.232 51.037 48.165 1.00 0.00 H -ATOM 8997 H2 TIP3A2999 39.242 50.311 47.280 1.00 0.00 H -ATOM 8998 O1 TIP3A3000 25.682 20.797 12.679 1.00 0.00 O -ATOM 8999 H1 TIP3A3000 26.271 21.456 13.044 1.00 0.00 H -ATOM 9000 H2 TIP3A3000 25.026 20.656 13.362 1.00 0.00 H -ATOM 9001 O1 TIP3A3001 23.980 41.861 33.433 1.00 0.00 O -ATOM 9002 H1 TIP3A3001 24.903 41.686 33.611 1.00 0.00 H -ATOM 9003 H2 TIP3A3001 23.873 42.795 33.617 1.00 0.00 H -ATOM 9004 O1 TIP3A3002 17.466 55.861 32.222 1.00 0.00 O -ATOM 9005 H1 TIP3A3002 16.928 56.151 31.486 1.00 0.00 H -ATOM 9006 H2 TIP3A3002 17.017 55.084 32.557 1.00 0.00 H -ATOM 9007 O1 TIP3A3003 53.275 7.393 13.725 1.00 0.00 O -ATOM 9008 H1 TIP3A3003 52.813 7.703 14.504 1.00 0.00 H -ATOM 9009 H2 TIP3A3003 53.245 6.438 13.793 1.00 0.00 H -ATOM 9010 O1 TIP3A3004 34.554 4.424 51.956 1.00 0.00 O -ATOM 9011 H1 TIP3A3004 35.496 4.310 51.836 1.00 0.00 H -ATOM 9012 H2 TIP3A3004 34.400 4.192 52.872 1.00 0.00 H -ATOM 9013 O1 TIP3A3005 54.932 50.049 43.361 1.00 0.00 O -ATOM 9014 H1 TIP3A3005 55.263 50.945 43.407 1.00 0.00 H -ATOM 9015 H2 TIP3A3005 55.521 49.607 42.749 1.00 0.00 H -ATOM 9016 O1 TIP3A3006 30.864 53.381 4.623 1.00 0.00 O -ATOM 9017 H1 TIP3A3006 29.995 53.465 4.232 1.00 0.00 H -ATOM 9018 H2 TIP3A3006 30.735 52.795 5.370 1.00 0.00 H -ATOM 9019 O1 TIP3A3007 13.186 40.348 12.665 1.00 0.00 O -ATOM 9020 H1 TIP3A3007 13.968 40.898 12.662 1.00 0.00 H -ATOM 9021 H2 TIP3A3007 13.374 39.661 12.024 1.00 0.00 H -ATOM 9022 O1 TIP3A3008 11.030 49.621 10.438 1.00 0.00 O -ATOM 9023 H1 TIP3A3008 10.529 48.864 10.741 1.00 0.00 H -ATOM 9024 H2 TIP3A3008 10.757 49.741 9.528 1.00 0.00 H -ATOM 9025 O1 TIP3A3009 1.447 44.850 47.714 1.00 0.00 O -ATOM 9026 H1 TIP3A3009 1.213 44.913 46.789 1.00 0.00 H -ATOM 9027 H2 TIP3A3009 2.157 44.208 47.739 1.00 0.00 H -ATOM 9028 O1 TIP3A3010 33.619 7.284 11.965 1.00 0.00 O -ATOM 9029 H1 TIP3A3010 34.521 7.603 11.958 1.00 0.00 H -ATOM 9030 H2 TIP3A3010 33.173 7.838 12.606 1.00 0.00 H -ATOM 9031 O1 TIP3A3011 46.962 33.530 23.971 1.00 0.00 O -ATOM 9032 H1 TIP3A3011 46.372 32.826 24.236 1.00 0.00 H -ATOM 9033 H2 TIP3A3011 47.708 33.456 24.567 1.00 0.00 H -ATOM 9034 O1 TIP3A3012 22.387 53.909 38.266 1.00 0.00 O -ATOM 9035 H1 TIP3A3012 22.512 54.560 38.957 1.00 0.00 H -ATOM 9036 H2 TIP3A3012 21.516 53.547 38.432 1.00 0.00 H -ATOM 9037 O1 TIP3A3013 35.944 4.485 46.536 1.00 0.00 O -ATOM 9038 H1 TIP3A3013 35.774 5.058 47.283 1.00 0.00 H -ATOM 9039 H2 TIP3A3013 35.229 3.847 46.556 1.00 0.00 H -ATOM 9040 O1 TIP3A3014 51.797 53.355 48.678 1.00 0.00 O -ATOM 9041 H1 TIP3A3014 51.656 53.780 47.832 1.00 0.00 H -ATOM 9042 H2 TIP3A3014 51.777 54.072 49.313 1.00 0.00 H -ATOM 9043 O1 TIP3A3015 28.257 16.470 4.713 1.00 0.00 O -ATOM 9044 H1 TIP3A3015 28.962 15.956 5.104 1.00 0.00 H -ATOM 9045 H2 TIP3A3015 27.576 15.827 4.509 1.00 0.00 H -ATOM 9046 O1 TIP3A3016 21.762 34.347 46.864 1.00 0.00 O -ATOM 9047 H1 TIP3A3016 21.432 35.181 47.199 1.00 0.00 H -ATOM 9048 H2 TIP3A3016 22.697 34.500 46.720 1.00 0.00 H -ATOM 9049 O1 TIP3A3017 32.332 32.606 26.812 1.00 0.00 O -ATOM 9050 H1 TIP3A3017 31.797 31.864 26.532 1.00 0.00 H -ATOM 9051 H2 TIP3A3017 33.032 32.213 27.334 1.00 0.00 H -ATOM 9052 O1 TIP3A3018 16.392 54.817 55.021 1.00 0.00 O -ATOM 9053 H1 TIP3A3018 16.634 55.739 55.103 1.00 0.00 H -ATOM 9054 H2 TIP3A3018 16.890 54.505 54.265 1.00 0.00 H -ATOM 9055 O1 TIP3A3019 32.005 6.587 15.070 1.00 0.00 O -ATOM 9056 H1 TIP3A3019 32.048 5.651 15.262 1.00 0.00 H -ATOM 9057 H2 TIP3A3019 32.734 6.966 15.562 1.00 0.00 H -ATOM 9058 O1 TIP3A3020 10.806 31.174 13.591 1.00 0.00 O -ATOM 9059 H1 TIP3A3020 9.991 30.841 13.217 1.00 0.00 H -ATOM 9060 H2 TIP3A3020 10.831 30.810 14.476 1.00 0.00 H -ATOM 9061 O1 TIP3A3021 53.823 5.857 1.864 1.00 0.00 O -ATOM 9062 H1 TIP3A3021 54.744 6.106 1.937 1.00 0.00 H -ATOM 9063 H2 TIP3A3021 53.471 5.981 2.746 1.00 0.00 H -ATOM 9064 O1 TIP3A3022 10.195 24.018 40.953 1.00 0.00 O -ATOM 9065 H1 TIP3A3022 10.969 23.466 40.844 1.00 0.00 H -ATOM 9066 H2 TIP3A3022 9.539 23.437 41.340 1.00 0.00 H -ATOM 9067 O1 TIP3A3023 20.930 43.174 24.302 1.00 0.00 O -ATOM 9068 H1 TIP3A3023 21.682 43.661 24.636 1.00 0.00 H -ATOM 9069 H2 TIP3A3023 20.874 43.422 23.379 1.00 0.00 H -ATOM 9070 O1 TIP3A3024 48.430 35.464 4.312 1.00 0.00 O -ATOM 9071 H1 TIP3A3024 47.985 36.148 4.810 1.00 0.00 H -ATOM 9072 H2 TIP3A3024 48.886 35.934 3.613 1.00 0.00 H -ATOM 9073 O1 TIP3A3025 7.510 17.738 23.302 1.00 0.00 O -ATOM 9074 H1 TIP3A3025 7.116 18.606 23.376 1.00 0.00 H -ATOM 9075 H2 TIP3A3025 6.963 17.177 23.854 1.00 0.00 H -ATOM 9076 O1 TIP3A3026 24.128 15.656 38.438 1.00 0.00 O -ATOM 9077 H1 TIP3A3026 24.592 15.047 37.865 1.00 0.00 H -ATOM 9078 H2 TIP3A3026 23.748 15.103 39.121 1.00 0.00 H -ATOM 9079 O1 TIP3A3027 53.725 55.174 4.843 1.00 0.00 O -ATOM 9080 H1 TIP3A3027 54.119 56.022 5.046 1.00 0.00 H -ATOM 9081 H2 TIP3A3027 53.038 55.374 4.207 1.00 0.00 H -ATOM 9082 O1 TIP3A3028 14.064 5.324 26.462 1.00 0.00 O -ATOM 9083 H1 TIP3A3028 13.442 6.045 26.557 1.00 0.00 H -ATOM 9084 H2 TIP3A3028 14.189 5.237 25.517 1.00 0.00 H -ATOM 9085 O1 TIP3A3029 48.122 20.373 25.936 1.00 0.00 O -ATOM 9086 H1 TIP3A3029 48.535 21.235 25.980 1.00 0.00 H -ATOM 9087 H2 TIP3A3029 48.444 19.994 25.118 1.00 0.00 H -ATOM 9088 O1 TIP3A3030 38.606 40.936 20.260 1.00 0.00 O -ATOM 9089 H1 TIP3A3030 38.423 41.711 19.730 1.00 0.00 H -ATOM 9090 H2 TIP3A3030 38.448 41.218 21.161 1.00 0.00 H -ATOM 9091 O1 TIP3A3031 25.997 57.166 25.003 1.00 0.00 O -ATOM 9092 H1 TIP3A3031 25.463 56.882 24.262 1.00 0.00 H -ATOM 9093 H2 TIP3A3031 26.374 58.000 24.722 1.00 0.00 H -ATOM 9094 O1 TIP3A3032 4.731 41.052 20.032 1.00 0.00 O -ATOM 9095 H1 TIP3A3032 5.320 40.399 20.408 1.00 0.00 H -ATOM 9096 H2 TIP3A3032 5.278 41.547 19.422 1.00 0.00 H -ATOM 9097 O1 TIP3A3033 47.361 10.199 51.697 1.00 0.00 O -ATOM 9098 H1 TIP3A3033 47.310 10.667 50.864 1.00 0.00 H -ATOM 9099 H2 TIP3A3033 47.227 10.877 52.361 1.00 0.00 H -ATOM 9100 O1 TIP3A3034 39.366 0.534 49.006 1.00 0.00 O -ATOM 9101 H1 TIP3A3034 39.062 1.436 49.097 1.00 0.00 H -ATOM 9102 H2 TIP3A3034 38.589 -0.000 49.176 1.00 0.00 H -ATOM 9103 O1 TIP3A3035 37.098 34.934 3.757 1.00 0.00 O -ATOM 9104 H1 TIP3A3035 37.875 35.421 4.029 1.00 0.00 H -ATOM 9105 H2 TIP3A3035 37.355 34.014 3.826 1.00 0.00 H -ATOM 9106 O1 TIP3A3036 12.439 25.014 47.136 1.00 0.00 O -ATOM 9107 H1 TIP3A3036 12.460 25.692 46.462 1.00 0.00 H -ATOM 9108 H2 TIP3A3036 12.798 25.440 47.916 1.00 0.00 H -ATOM 9109 O1 TIP3A3037 52.256 22.898 39.842 1.00 0.00 O -ATOM 9110 H1 TIP3A3037 51.750 23.019 40.644 1.00 0.00 H -ATOM 9111 H2 TIP3A3037 52.841 23.655 39.809 1.00 0.00 H -ATOM 9112 O1 TIP3A3038 50.709 29.419 55.716 1.00 0.00 O -ATOM 9113 H1 TIP3A3038 51.352 29.923 55.218 1.00 0.00 H -ATOM 9114 H2 TIP3A3038 50.073 30.069 56.015 1.00 0.00 H -ATOM 9115 O1 TIP3A3039 44.034 18.904 3.170 1.00 0.00 O -ATOM 9116 H1 TIP3A3039 44.838 18.849 3.686 1.00 0.00 H -ATOM 9117 H2 TIP3A3039 44.322 19.216 2.311 1.00 0.00 H -ATOM 9118 O1 TIP3A3040 8.839 19.323 20.782 1.00 0.00 O -ATOM 9119 H1 TIP3A3040 8.431 20.145 21.052 1.00 0.00 H -ATOM 9120 H2 TIP3A3040 8.853 18.789 21.577 1.00 0.00 H -ATOM 9121 O1 TIP3A3041 52.955 49.007 51.395 1.00 0.00 O -ATOM 9122 H1 TIP3A3041 52.076 49.359 51.529 1.00 0.00 H -ATOM 9123 H2 TIP3A3041 53.326 49.544 50.695 1.00 0.00 H -ATOM 9124 O1 TIP3A3042 48.949 39.568 5.855 1.00 0.00 O -ATOM 9125 H1 TIP3A3042 49.464 38.771 5.973 1.00 0.00 H -ATOM 9126 H2 TIP3A3042 48.226 39.304 5.285 1.00 0.00 H -ATOM 9127 O1 TIP3A3043 19.377 32.217 40.014 1.00 0.00 O -ATOM 9128 H1 TIP3A3043 18.568 32.728 39.998 1.00 0.00 H -ATOM 9129 H2 TIP3A3043 19.944 32.644 39.371 1.00 0.00 H -ATOM 9130 O1 TIP3A3044 6.584 40.770 29.047 1.00 0.00 O -ATOM 9131 H1 TIP3A3044 5.761 41.259 29.035 1.00 0.00 H -ATOM 9132 H2 TIP3A3044 6.441 40.076 29.691 1.00 0.00 H -ATOM 9133 O1 TIP3A3045 15.397 54.305 38.251 1.00 0.00 O -ATOM 9134 H1 TIP3A3045 15.143 55.225 38.197 1.00 0.00 H -ATOM 9135 H2 TIP3A3045 16.046 54.193 37.556 1.00 0.00 H -ATOM 9136 O1 TIP3A3046 10.761 36.780 7.299 1.00 0.00 O -ATOM 9137 H1 TIP3A3046 10.732 35.848 7.083 1.00 0.00 H -ATOM 9138 H2 TIP3A3046 10.151 37.188 6.684 1.00 0.00 H -ATOM 9139 O1 TIP3A3047 23.124 30.466 8.582 1.00 0.00 O -ATOM 9140 H1 TIP3A3047 23.883 30.975 8.865 1.00 0.00 H -ATOM 9141 H2 TIP3A3047 22.956 30.763 7.687 1.00 0.00 H -ATOM 9142 O1 TIP3A3048 28.182 33.779 9.286 1.00 0.00 O -ATOM 9143 H1 TIP3A3048 27.968 34.477 9.905 1.00 0.00 H -ATOM 9144 H2 TIP3A3048 28.839 33.250 9.739 1.00 0.00 H -ATOM 9145 O1 TIP3A3049 46.760 55.460 18.258 1.00 0.00 O -ATOM 9146 H1 TIP3A3049 47.172 56.284 18.516 1.00 0.00 H -ATOM 9147 H2 TIP3A3049 45.997 55.384 18.833 1.00 0.00 H -ATOM 9148 O1 TIP3A3050 8.991 53.375 56.692 1.00 0.00 O -ATOM 9149 H1 TIP3A3050 8.358 53.506 55.987 1.00 0.00 H -ATOM 9150 H2 TIP3A3050 9.530 52.640 56.397 1.00 0.00 H -ATOM 9151 O1 TIP3A3051 42.329 34.934 23.043 1.00 0.00 O -ATOM 9152 H1 TIP3A3051 42.990 35.375 22.511 1.00 0.00 H -ATOM 9153 H2 TIP3A3051 42.760 34.135 23.348 1.00 0.00 H -ATOM 9154 O1 TIP3A3052 27.758 21.898 28.323 1.00 0.00 O -ATOM 9155 H1 TIP3A3052 27.512 22.246 29.180 1.00 0.00 H -ATOM 9156 H2 TIP3A3052 26.982 21.424 28.025 1.00 0.00 H -ATOM 9157 O1 TIP3A3053 0.313 48.387 7.987 1.00 0.00 O -ATOM 9158 H1 TIP3A3053 0.711 48.210 8.838 1.00 0.00 H -ATOM 9159 H2 TIP3A3053 -0.000 47.534 7.685 1.00 0.00 H -ATOM 9160 O1 TIP3A3054 42.597 26.284 31.607 1.00 0.00 O -ATOM 9161 H1 TIP3A3054 41.944 25.967 32.229 1.00 0.00 H -ATOM 9162 H2 TIP3A3054 42.292 25.968 30.756 1.00 0.00 H -ATOM 9163 O1 TIP3A3055 20.632 5.184 18.361 1.00 0.00 O -ATOM 9164 H1 TIP3A3055 20.226 6.038 18.217 1.00 0.00 H -ATOM 9165 H2 TIP3A3055 21.299 5.346 19.030 1.00 0.00 H -ATOM 9166 O1 TIP3A3056 51.657 18.239 20.904 1.00 0.00 O -ATOM 9167 H1 TIP3A3056 50.854 18.759 20.913 1.00 0.00 H -ATOM 9168 H2 TIP3A3056 52.310 18.814 20.503 1.00 0.00 H -ATOM 9169 O1 TIP3A3057 24.099 26.908 55.961 1.00 0.00 O -ATOM 9170 H1 TIP3A3057 23.752 26.806 56.846 1.00 0.00 H -ATOM 9171 H2 TIP3A3057 24.899 27.422 56.074 1.00 0.00 H -ATOM 9172 O1 TIP3A3058 26.166 37.665 34.475 1.00 0.00 O -ATOM 9173 H1 TIP3A3058 27.019 37.978 34.174 1.00 0.00 H -ATOM 9174 H2 TIP3A3058 25.936 38.253 35.196 1.00 0.00 H -ATOM 9175 O1 TIP3A3059 53.395 30.374 27.930 1.00 0.00 O -ATOM 9176 H1 TIP3A3059 54.010 31.106 27.900 1.00 0.00 H -ATOM 9177 H2 TIP3A3059 52.673 30.689 28.476 1.00 0.00 H -ATOM 9178 O1 TIP3A3060 4.481 23.580 5.779 1.00 0.00 O -ATOM 9179 H1 TIP3A3060 4.916 24.413 5.601 1.00 0.00 H -ATOM 9180 H2 TIP3A3060 4.934 22.948 5.220 1.00 0.00 H -ATOM 9181 O1 TIP3A3061 51.774 25.924 12.624 1.00 0.00 O -ATOM 9182 H1 TIP3A3061 52.451 25.995 13.296 1.00 0.00 H -ATOM 9183 H2 TIP3A3061 52.190 26.254 11.827 1.00 0.00 H -ATOM 9184 O1 TIP3A3062 22.788 26.303 12.227 1.00 0.00 O -ATOM 9185 H1 TIP3A3062 22.396 27.175 12.191 1.00 0.00 H -ATOM 9186 H2 TIP3A3062 23.381 26.275 11.475 1.00 0.00 H -ATOM 9187 O1 TIP3A3063 8.160 33.959 11.625 1.00 0.00 O -ATOM 9188 H1 TIP3A3063 9.015 33.542 11.716 1.00 0.00 H -ATOM 9189 H2 TIP3A3063 8.357 34.854 11.348 1.00 0.00 H -ATOM 9190 O1 TIP3A3064 43.678 22.829 13.475 1.00 0.00 O -ATOM 9191 H1 TIP3A3064 44.481 23.340 13.568 1.00 0.00 H -ATOM 9192 H2 TIP3A3064 42.978 23.431 13.731 1.00 0.00 H -ATOM 9193 O1 TIP3A3065 18.813 13.350 50.018 1.00 0.00 O -ATOM 9194 H1 TIP3A3065 18.320 12.629 49.629 1.00 0.00 H -ATOM 9195 H2 TIP3A3065 18.805 13.167 50.958 1.00 0.00 H -ATOM 9196 O1 TIP3A3066 43.019 27.723 10.839 1.00 0.00 O -ATOM 9197 H1 TIP3A3066 43.972 27.790 10.794 1.00 0.00 H -ATOM 9198 H2 TIP3A3066 42.811 27.875 11.762 1.00 0.00 H -ATOM 9199 O1 TIP3A3067 11.854 15.478 22.576 1.00 0.00 O -ATOM 9200 H1 TIP3A3067 12.343 15.742 21.797 1.00 0.00 H -ATOM 9201 H2 TIP3A3067 12.241 14.639 22.829 1.00 0.00 H -ATOM 9202 O1 TIP3A3068 28.800 28.580 19.496 1.00 0.00 O -ATOM 9203 H1 TIP3A3068 28.699 29.531 19.486 1.00 0.00 H -ATOM 9204 H2 TIP3A3068 28.313 28.294 20.270 1.00 0.00 H -ATOM 9205 O1 TIP3A3069 5.367 33.243 43.559 1.00 0.00 O -ATOM 9206 H1 TIP3A3069 5.000 34.121 43.459 1.00 0.00 H -ATOM 9207 H2 TIP3A3069 6.116 33.361 44.145 1.00 0.00 H -ATOM 9208 O1 TIP3A3070 54.831 31.071 11.520 1.00 0.00 O -ATOM 9209 H1 TIP3A3070 55.246 31.930 11.598 1.00 0.00 H -ATOM 9210 H2 TIP3A3070 55.039 30.629 12.344 1.00 0.00 H -ATOM 9211 O1 TIP3A3071 4.635 38.501 49.676 1.00 0.00 O -ATOM 9212 H1 TIP3A3071 3.754 38.813 49.470 1.00 0.00 H -ATOM 9213 H2 TIP3A3071 4.526 37.563 49.833 1.00 0.00 H -ATOM 9214 O1 TIP3A3072 54.339 4.502 57.597 1.00 0.00 O -ATOM 9215 H1 TIP3A3072 54.507 5.336 57.160 1.00 0.00 H -ATOM 9216 H2 TIP3A3072 53.389 4.483 57.722 1.00 0.00 H -ATOM 9217 O1 TIP3A3073 14.421 52.778 5.451 1.00 0.00 O -ATOM 9218 H1 TIP3A3073 14.235 53.314 4.681 1.00 0.00 H -ATOM 9219 H2 TIP3A3073 13.694 52.955 6.049 1.00 0.00 H -ATOM 9220 O1 TIP3A3074 34.339 42.905 40.783 1.00 0.00 O -ATOM 9221 H1 TIP3A3074 34.572 43.482 40.057 1.00 0.00 H -ATOM 9222 H2 TIP3A3074 35.121 42.372 40.928 1.00 0.00 H -ATOM 9223 O1 TIP3A3075 34.879 23.723 1.554 1.00 0.00 O -ATOM 9224 H1 TIP3A3075 33.924 23.771 1.524 1.00 0.00 H -ATOM 9225 H2 TIP3A3075 35.173 24.402 0.945 1.00 0.00 H -ATOM 9226 O1 TIP3A3076 0.431 14.383 15.429 1.00 0.00 O -ATOM 9227 H1 TIP3A3076 0.000 15.237 15.430 1.00 0.00 H -ATOM 9228 H2 TIP3A3076 0.896 14.349 14.593 1.00 0.00 H -ATOM 9229 O1 TIP3A3077 1.115 49.657 37.209 1.00 0.00 O -ATOM 9230 H1 TIP3A3077 0.550 50.406 37.398 1.00 0.00 H -ATOM 9231 H2 TIP3A3077 1.981 50.040 37.065 1.00 0.00 H -ATOM 9232 O1 TIP3A3078 3.894 1.233 0.745 1.00 0.00 O -ATOM 9233 H1 TIP3A3078 4.480 0.499 0.562 1.00 0.00 H -ATOM 9234 H2 TIP3A3078 3.055 0.822 0.958 1.00 0.00 H -ATOM 9235 O1 TIP3A3079 11.941 12.742 43.978 1.00 0.00 O -ATOM 9236 H1 TIP3A3079 11.624 12.136 44.647 1.00 0.00 H -ATOM 9237 H2 TIP3A3079 12.384 12.183 43.339 1.00 0.00 H -ATOM 9238 O1 TIP3A3080 45.909 44.765 36.307 1.00 0.00 O -ATOM 9239 H1 TIP3A3080 46.825 44.978 36.132 1.00 0.00 H -ATOM 9240 H2 TIP3A3080 45.781 43.905 35.905 1.00 0.00 H -ATOM 9241 O1 TIP3A3081 32.249 17.352 26.533 1.00 0.00 O -ATOM 9242 H1 TIP3A3081 32.932 17.727 25.977 1.00 0.00 H -ATOM 9243 H2 TIP3A3081 32.371 17.778 27.382 1.00 0.00 H -ATOM 9244 O1 TIP3A3082 20.445 17.325 5.064 1.00 0.00 O -ATOM 9245 H1 TIP3A3082 21.383 17.137 5.073 1.00 0.00 H -ATOM 9246 H2 TIP3A3082 20.062 16.610 4.555 1.00 0.00 H -ATOM 9247 O1 TIP3A3083 11.377 19.885 4.107 1.00 0.00 O -ATOM 9248 H1 TIP3A3083 11.979 19.188 4.369 1.00 0.00 H -ATOM 9249 H2 TIP3A3083 10.984 19.569 3.293 1.00 0.00 H -ATOM 9250 O1 TIP3A3084 51.640 34.091 56.011 1.00 0.00 O -ATOM 9251 H1 TIP3A3084 51.866 34.381 56.894 1.00 0.00 H -ATOM 9252 H2 TIP3A3084 50.872 34.613 55.776 1.00 0.00 H -ATOM 9253 O1 TIP3A3085 31.258 49.573 21.856 1.00 0.00 O -ATOM 9254 H1 TIP3A3085 30.320 49.538 21.667 1.00 0.00 H -ATOM 9255 H2 TIP3A3085 31.677 49.274 21.049 1.00 0.00 H -ATOM 9256 O1 TIP3A3086 21.176 46.944 20.756 1.00 0.00 O -ATOM 9257 H1 TIP3A3086 20.927 47.849 20.572 1.00 0.00 H -ATOM 9258 H2 TIP3A3086 21.989 47.017 21.258 1.00 0.00 H -ATOM 9259 O1 TIP3A3087 13.185 39.547 8.232 1.00 0.00 O -ATOM 9260 H1 TIP3A3087 13.796 40.175 7.848 1.00 0.00 H -ATOM 9261 H2 TIP3A3087 12.568 40.086 8.728 1.00 0.00 H -ATOM 9262 O1 TIP3A3088 19.391 5.879 24.309 1.00 0.00 O -ATOM 9263 H1 TIP3A3088 18.453 6.065 24.276 1.00 0.00 H -ATOM 9264 H2 TIP3A3088 19.807 6.690 24.016 1.00 0.00 H -ATOM 9265 O1 TIP3A3089 41.209 56.652 43.093 1.00 0.00 O -ATOM 9266 H1 TIP3A3089 41.162 57.409 43.676 1.00 0.00 H -ATOM 9267 H2 TIP3A3089 42.130 56.605 42.835 1.00 0.00 H -ATOM 9268 O1 TIP3A3090 55.636 39.321 56.092 1.00 0.00 O -ATOM 9269 H1 TIP3A3090 55.194 39.399 56.937 1.00 0.00 H -ATOM 9270 H2 TIP3A3090 55.695 40.220 55.768 1.00 0.00 H -ATOM 9271 O1 TIP3A3091 7.581 43.129 42.680 1.00 0.00 O -ATOM 9272 H1 TIP3A3091 7.729 43.522 43.539 1.00 0.00 H -ATOM 9273 H2 TIP3A3091 7.018 43.755 42.223 1.00 0.00 H -ATOM 9274 O1 TIP3A3092 54.471 23.960 53.597 1.00 0.00 O -ATOM 9275 H1 TIP3A3092 54.019 23.169 53.889 1.00 0.00 H -ATOM 9276 H2 TIP3A3092 54.064 24.173 52.757 1.00 0.00 H -ATOM 9277 O1 TIP3A3093 4.218 3.655 39.987 1.00 0.00 O -ATOM 9278 H1 TIP3A3093 3.476 3.076 40.157 1.00 0.00 H -ATOM 9279 H2 TIP3A3093 4.895 3.364 40.598 1.00 0.00 H -ATOM 9280 O1 TIP3A3094 35.183 40.217 55.365 1.00 0.00 O -ATOM 9281 H1 TIP3A3094 34.441 39.617 55.309 1.00 0.00 H -ATOM 9282 H2 TIP3A3094 34.796 41.053 55.630 1.00 0.00 H -ATOM 9283 O1 TIP3A3095 39.013 39.474 10.228 1.00 0.00 O -ATOM 9284 H1 TIP3A3095 38.135 39.443 10.606 1.00 0.00 H -ATOM 9285 H2 TIP3A3095 38.868 39.460 9.281 1.00 0.00 H -ATOM 9286 O1 TIP3A3096 52.131 7.708 53.166 1.00 0.00 O -ATOM 9287 H1 TIP3A3096 52.468 7.524 52.289 1.00 0.00 H -ATOM 9288 H2 TIP3A3096 52.451 6.982 53.703 1.00 0.00 H -ATOM 9289 O1 TIP3A3097 53.673 44.518 10.089 1.00 0.00 O -ATOM 9290 H1 TIP3A3097 54.570 44.717 10.355 1.00 0.00 H -ATOM 9291 H2 TIP3A3097 53.768 43.881 9.381 1.00 0.00 H -ATOM 9292 O1 TIP3A3098 10.566 22.720 22.138 1.00 0.00 O -ATOM 9293 H1 TIP3A3098 9.940 22.647 21.419 1.00 0.00 H -ATOM 9294 H2 TIP3A3098 10.032 22.953 22.899 1.00 0.00 H -ATOM 9295 O1 TIP3A3099 38.312 11.828 32.415 1.00 0.00 O -ATOM 9296 H1 TIP3A3099 39.043 11.215 32.348 1.00 0.00 H -ATOM 9297 H2 TIP3A3099 37.718 11.426 33.049 1.00 0.00 H -ATOM 9298 O1 TIP3A3100 27.157 37.181 11.562 1.00 0.00 O -ATOM 9299 H1 TIP3A3100 27.871 37.450 12.138 1.00 0.00 H -ATOM 9300 H2 TIP3A3100 27.552 36.535 10.976 1.00 0.00 H -ATOM 9301 O1 TIP3A3101 31.254 0.725 50.727 1.00 0.00 O -ATOM 9302 H1 TIP3A3101 30.347 1.028 50.688 1.00 0.00 H -ATOM 9303 H2 TIP3A3101 31.307 0.040 50.060 1.00 0.00 H -ATOM 9304 O1 TIP3A3102 20.055 53.233 51.870 1.00 0.00 O -ATOM 9305 H1 TIP3A3102 20.857 52.800 52.158 1.00 0.00 H -ATOM 9306 H2 TIP3A3102 19.435 53.092 52.585 1.00 0.00 H -ATOM 9307 O1 TIP3A3103 1.711 13.240 47.904 1.00 0.00 O -ATOM 9308 H1 TIP3A3103 1.618 12.404 47.449 1.00 0.00 H -ATOM 9309 H2 TIP3A3103 2.045 13.841 47.237 1.00 0.00 H -ATOM 9310 O1 TIP3A3104 20.235 50.786 33.718 1.00 0.00 O -ATOM 9311 H1 TIP3A3104 19.934 50.100 34.312 1.00 0.00 H -ATOM 9312 H2 TIP3A3104 21.186 50.672 33.683 1.00 0.00 H -ATOM 9313 O1 TIP3A3105 41.413 41.296 25.044 1.00 0.00 O -ATOM 9314 H1 TIP3A3105 41.248 40.932 24.174 1.00 0.00 H -ATOM 9315 H2 TIP3A3105 40.550 41.567 25.359 1.00 0.00 H -ATOM 9316 O1 TIP3A3106 23.887 44.780 47.253 1.00 0.00 O -ATOM 9317 H1 TIP3A3106 23.617 43.916 47.560 1.00 0.00 H -ATOM 9318 H2 TIP3A3106 24.844 44.748 47.254 1.00 0.00 H -ATOM 9319 O1 TIP3A3107 46.096 43.714 19.546 1.00 0.00 O -ATOM 9320 H1 TIP3A3107 45.368 44.194 19.941 1.00 0.00 H -ATOM 9321 H2 TIP3A3107 45.786 42.809 19.494 1.00 0.00 H -ATOM 9322 O1 TIP3A3108 30.229 50.337 48.868 1.00 0.00 O -ATOM 9323 H1 TIP3A3108 30.746 50.163 48.082 1.00 0.00 H -ATOM 9324 H2 TIP3A3108 29.352 50.018 48.654 1.00 0.00 H -ATOM 9325 O1 TIP3A3109 55.763 37.087 6.369 1.00 0.00 O -ATOM 9326 H1 TIP3A3109 55.624 36.516 5.614 1.00 0.00 H -ATOM 9327 H2 TIP3A3109 56.431 37.709 6.079 1.00 0.00 H -ATOM 9328 O1 TIP3A3110 3.450 31.656 33.875 1.00 0.00 O -ATOM 9329 H1 TIP3A3110 3.568 32.409 33.297 1.00 0.00 H -ATOM 9330 H2 TIP3A3110 4.076 31.006 33.553 1.00 0.00 H -ATOM 9331 O1 TIP3A3111 15.044 46.503 35.685 1.00 0.00 O -ATOM 9332 H1 TIP3A3111 14.106 46.537 35.499 1.00 0.00 H -ATOM 9333 H2 TIP3A3111 15.097 46.373 36.632 1.00 0.00 H -ATOM 9334 O1 TIP3A3112 56.357 24.735 57.731 1.00 0.00 O -ATOM 9335 H1 TIP3A3112 55.719 24.375 57.116 1.00 0.00 H -ATOM 9336 H2 TIP3A3112 56.984 25.204 57.179 1.00 0.00 H -ATOM 9337 O1 TIP3A3113 49.413 46.753 11.579 1.00 0.00 O -ATOM 9338 H1 TIP3A3113 48.636 46.913 11.044 1.00 0.00 H -ATOM 9339 H2 TIP3A3113 50.120 47.205 11.117 1.00 0.00 H -ATOM 9340 O1 TIP3A3114 54.195 57.193 47.767 1.00 0.00 O -ATOM 9341 H1 TIP3A3114 54.191 58.000 48.280 1.00 0.00 H -ATOM 9342 H2 TIP3A3114 54.632 56.553 48.329 1.00 0.00 H -ATOM 9343 O1 TIP3A3115 26.693 52.507 6.966 1.00 0.00 O -ATOM 9344 H1 TIP3A3115 26.148 53.286 7.070 1.00 0.00 H -ATOM 9345 H2 TIP3A3115 26.745 52.131 7.846 1.00 0.00 H -ATOM 9346 O1 TIP3A3116 45.559 47.905 25.399 1.00 0.00 O -ATOM 9347 H1 TIP3A3116 44.676 47.590 25.589 1.00 0.00 H -ATOM 9348 H2 TIP3A3116 46.134 47.192 25.679 1.00 0.00 H -ATOM 9349 O1 TIP3A3117 34.051 6.933 8.999 1.00 0.00 O -ATOM 9350 H1 TIP3A3117 34.891 7.297 9.273 1.00 0.00 H -ATOM 9351 H2 TIP3A3117 33.656 6.604 9.807 1.00 0.00 H -ATOM 9352 O1 TIP3A3118 9.184 6.440 32.648 1.00 0.00 O -ATOM 9353 H1 TIP3A3118 8.751 5.736 33.129 1.00 0.00 H -ATOM 9354 H2 TIP3A3118 9.709 5.990 31.985 1.00 0.00 H -ATOM 9355 O1 TIP3A3119 45.375 1.622 31.553 1.00 0.00 O -ATOM 9356 H1 TIP3A3119 45.478 0.719 31.254 1.00 0.00 H -ATOM 9357 H2 TIP3A3119 44.477 1.665 31.883 1.00 0.00 H -ATOM 9358 O1 TIP3A3120 35.912 51.444 39.526 1.00 0.00 O -ATOM 9359 H1 TIP3A3120 35.953 51.386 38.572 1.00 0.00 H -ATOM 9360 H2 TIP3A3120 36.191 52.338 39.725 1.00 0.00 H -ATOM 9361 O1 TIP3A3121 45.324 41.679 34.469 1.00 0.00 O -ATOM 9362 H1 TIP3A3121 44.619 41.529 35.097 1.00 0.00 H -ATOM 9363 H2 TIP3A3121 46.020 41.080 34.741 1.00 0.00 H -ATOM 9364 O1 TIP3A3122 14.309 52.772 10.259 1.00 0.00 O -ATOM 9365 H1 TIP3A3122 13.524 53.311 10.352 1.00 0.00 H -ATOM 9366 H2 TIP3A3122 15.036 53.386 10.363 1.00 0.00 H -ATOM 9367 O1 TIP3A3123 26.389 8.292 57.467 1.00 0.00 O -ATOM 9368 H1 TIP3A3123 25.495 7.953 57.509 1.00 0.00 H -ATOM 9369 H2 TIP3A3123 26.615 8.258 56.537 1.00 0.00 H -ATOM 9370 O1 TIP3A3124 57.182 43.626 20.262 1.00 0.00 O -ATOM 9371 H1 TIP3A3124 56.831 44.302 20.841 1.00 0.00 H -ATOM 9372 H2 TIP3A3124 58.010 43.988 19.944 1.00 0.00 H -ATOM 9373 O1 TIP3A3125 16.370 14.075 51.066 1.00 0.00 O -ATOM 9374 H1 TIP3A3125 16.504 14.557 50.250 1.00 0.00 H -ATOM 9375 H2 TIP3A3125 15.535 14.402 51.403 1.00 0.00 H -ATOM 9376 O1 TIP3A3126 42.112 57.600 46.539 1.00 0.00 O -ATOM 9377 H1 TIP3A3126 42.827 57.618 45.903 1.00 0.00 H -ATOM 9378 H2 TIP3A3126 41.626 56.801 46.331 1.00 0.00 H -ATOM 9379 O1 TIP3A3127 6.648 52.005 56.841 1.00 0.00 O -ATOM 9380 H1 TIP3A3127 6.927 52.254 57.722 1.00 0.00 H -ATOM 9381 H2 TIP3A3127 7.202 51.256 56.617 1.00 0.00 H -ATOM 9382 O1 TIP3A3128 19.688 37.869 26.322 1.00 0.00 O -ATOM 9383 H1 TIP3A3128 18.732 37.898 26.301 1.00 0.00 H -ATOM 9384 H2 TIP3A3128 19.895 37.210 26.985 1.00 0.00 H -ATOM 9385 O1 TIP3A3129 20.701 33.734 35.357 1.00 0.00 O -ATOM 9386 H1 TIP3A3129 20.866 34.659 35.174 1.00 0.00 H -ATOM 9387 H2 TIP3A3129 20.992 33.277 34.568 1.00 0.00 H -ATOM 9388 O1 TIP3A3130 37.926 12.579 1.294 1.00 0.00 O -ATOM 9389 H1 TIP3A3130 37.645 13.139 0.571 1.00 0.00 H -ATOM 9390 H2 TIP3A3130 37.623 13.033 2.081 1.00 0.00 H -ATOM 9391 O1 TIP3A3131 30.675 34.934 10.401 1.00 0.00 O -ATOM 9392 H1 TIP3A3131 30.056 35.590 10.082 1.00 0.00 H -ATOM 9393 H2 TIP3A3131 30.899 34.419 9.625 1.00 0.00 H -ATOM 9394 O1 TIP3A3132 36.428 1.255 51.361 1.00 0.00 O -ATOM 9395 H1 TIP3A3132 36.121 0.355 51.262 1.00 0.00 H -ATOM 9396 H2 TIP3A3132 37.365 1.212 51.169 1.00 0.00 H -ATOM 9397 O1 TIP3A3133 24.281 27.259 21.357 1.00 0.00 O -ATOM 9398 H1 TIP3A3133 24.739 26.421 21.293 1.00 0.00 H -ATOM 9399 H2 TIP3A3133 24.702 27.706 22.092 1.00 0.00 H -ATOM 9400 O1 TIP3A3134 43.498 13.594 53.497 1.00 0.00 O -ATOM 9401 H1 TIP3A3134 44.437 13.504 53.659 1.00 0.00 H -ATOM 9402 H2 TIP3A3134 43.360 13.177 52.646 1.00 0.00 H -ATOM 9403 O1 TIP3A3135 25.171 6.305 12.753 1.00 0.00 O -ATOM 9404 H1 TIP3A3135 25.830 5.724 12.376 1.00 0.00 H -ATOM 9405 H2 TIP3A3135 24.674 5.748 13.352 1.00 0.00 H -ATOM 9406 O1 TIP3A3136 55.260 39.116 20.017 1.00 0.00 O -ATOM 9407 H1 TIP3A3136 54.743 38.322 19.887 1.00 0.00 H -ATOM 9408 H2 TIP3A3136 55.872 38.892 20.718 1.00 0.00 H -ATOM 9409 O1 TIP3A3137 20.142 43.442 33.050 1.00 0.00 O -ATOM 9410 H1 TIP3A3137 20.984 43.055 32.814 1.00 0.00 H -ATOM 9411 H2 TIP3A3137 20.125 43.416 34.007 1.00 0.00 H -ATOM 9412 O1 TIP3A3138 45.668 9.522 10.688 1.00 0.00 O -ATOM 9413 H1 TIP3A3138 45.565 10.380 10.280 1.00 0.00 H -ATOM 9414 H2 TIP3A3138 45.243 8.914 10.082 1.00 0.00 H -ATOM 9415 O1 TIP3A3139 47.972 36.987 40.065 1.00 0.00 O -ATOM 9416 H1 TIP3A3139 47.736 37.902 40.208 1.00 0.00 H -ATOM 9417 H2 TIP3A3139 48.806 37.025 39.595 1.00 0.00 H -ATOM 9418 O1 TIP3A3140 31.049 42.750 43.136 1.00 0.00 O -ATOM 9419 H1 TIP3A3140 31.977 42.536 43.228 1.00 0.00 H -ATOM 9420 H2 TIP3A3140 30.859 43.319 43.883 1.00 0.00 H -ATOM 9421 O1 TIP3A3141 34.586 45.649 35.332 1.00 0.00 O -ATOM 9422 H1 TIP3A3141 35.264 46.295 35.139 1.00 0.00 H -ATOM 9423 H2 TIP3A3141 33.881 45.850 34.716 1.00 0.00 H -ATOM 9424 O1 TIP3A3142 50.455 53.259 2.825 1.00 0.00 O -ATOM 9425 H1 TIP3A3142 49.513 53.427 2.821 1.00 0.00 H -ATOM 9426 H2 TIP3A3142 50.573 52.565 3.473 1.00 0.00 H -ATOM 9427 O1 TIP3A3143 33.573 45.173 9.860 1.00 0.00 O -ATOM 9428 H1 TIP3A3143 32.752 44.711 10.022 1.00 0.00 H -ATOM 9429 H2 TIP3A3143 33.382 45.752 9.121 1.00 0.00 H -ATOM 9430 O1 TIP3A3144 55.833 5.770 32.600 1.00 0.00 O -ATOM 9431 H1 TIP3A3144 56.083 6.565 33.069 1.00 0.00 H -ATOM 9432 H2 TIP3A3144 55.511 6.082 31.753 1.00 0.00 H -ATOM 9433 O1 TIP3A3145 23.482 7.303 45.157 1.00 0.00 O -ATOM 9434 H1 TIP3A3145 24.123 6.686 44.806 1.00 0.00 H -ATOM 9435 H2 TIP3A3145 22.716 7.202 44.592 1.00 0.00 H -ATOM 9436 O1 TIP3A3146 33.966 52.156 5.144 1.00 0.00 O -ATOM 9437 H1 TIP3A3146 34.814 51.712 5.162 1.00 0.00 H -ATOM 9438 H2 TIP3A3146 33.349 51.481 4.859 1.00 0.00 H -ATOM 9439 O1 TIP3A3147 57.151 17.264 54.553 1.00 0.00 O -ATOM 9440 H1 TIP3A3147 57.428 16.726 55.294 1.00 0.00 H -ATOM 9441 H2 TIP3A3147 56.388 16.808 54.197 1.00 0.00 H -ATOM 9442 O1 TIP3A3148 2.723 35.172 3.702 1.00 0.00 O -ATOM 9443 H1 TIP3A3148 3.064 36.065 3.668 1.00 0.00 H -ATOM 9444 H2 TIP3A3148 2.076 35.188 4.409 1.00 0.00 H -ATOM 9445 O1 TIP3A3149 1.387 33.299 16.615 1.00 0.00 O -ATOM 9446 H1 TIP3A3149 0.641 33.780 16.257 1.00 0.00 H -ATOM 9447 H2 TIP3A3149 1.048 32.419 16.782 1.00 0.00 H -ATOM 9448 O1 TIP3A3150 47.005 43.364 21.825 1.00 0.00 O -ATOM 9449 H1 TIP3A3150 46.556 43.237 22.660 1.00 0.00 H -ATOM 9450 H2 TIP3A3150 47.936 43.328 22.046 1.00 0.00 H -ATOM 9451 O1 TIP3A3151 50.646 43.066 33.773 1.00 0.00 O -ATOM 9452 H1 TIP3A3151 50.681 42.615 34.616 1.00 0.00 H -ATOM 9453 H2 TIP3A3151 49.915 43.678 33.857 1.00 0.00 H -ATOM 9454 O1 TIP3A3152 13.522 56.141 58.025 1.00 0.00 O -ATOM 9455 H1 TIP3A3152 12.934 55.397 57.902 1.00 0.00 H -ATOM 9456 H2 TIP3A3152 13.030 56.893 57.692 1.00 0.00 H -ATOM 9457 O1 TIP3A3153 13.692 15.140 44.937 1.00 0.00 O -ATOM 9458 H1 TIP3A3153 13.642 14.476 44.250 1.00 0.00 H -ATOM 9459 H2 TIP3A3153 14.059 15.910 44.501 1.00 0.00 H -ATOM 9460 O1 TIP3A3154 41.783 49.586 53.988 1.00 0.00 O -ATOM 9461 H1 TIP3A3154 42.519 49.219 53.500 1.00 0.00 H -ATOM 9462 H2 TIP3A3154 41.041 49.528 53.384 1.00 0.00 H -ATOM 9463 O1 TIP3A3155 7.112 7.291 46.004 1.00 0.00 O -ATOM 9464 H1 TIP3A3155 7.226 6.710 46.756 1.00 0.00 H -ATOM 9465 H2 TIP3A3155 6.349 6.941 45.543 1.00 0.00 H -ATOM 9466 O1 TIP3A3156 15.183 15.149 14.547 1.00 0.00 O -ATOM 9467 H1 TIP3A3156 14.971 14.256 14.818 1.00 0.00 H -ATOM 9468 H2 TIP3A3156 14.627 15.307 13.784 1.00 0.00 H -ATOM 9469 O1 TIP3A3157 47.203 38.898 8.724 1.00 0.00 O -ATOM 9470 H1 TIP3A3157 47.394 37.988 8.502 1.00 0.00 H -ATOM 9471 H2 TIP3A3157 46.860 39.276 7.914 1.00 0.00 H -ATOM 9472 O1 TIP3A3158 13.554 12.264 3.479 1.00 0.00 O -ATOM 9473 H1 TIP3A3158 13.263 11.353 3.486 1.00 0.00 H -ATOM 9474 H2 TIP3A3158 14.283 12.289 4.100 1.00 0.00 H -ATOM 9475 O1 TIP3A3159 10.623 28.077 24.631 1.00 0.00 O -ATOM 9476 H1 TIP3A3159 11.305 27.866 25.267 1.00 0.00 H -ATOM 9477 H2 TIP3A3159 10.351 27.229 24.280 1.00 0.00 H -ATOM 9478 O1 TIP3A3160 52.699 51.206 26.154 1.00 0.00 O -ATOM 9479 H1 TIP3A3160 53.253 51.258 26.932 1.00 0.00 H -ATOM 9480 H2 TIP3A3160 52.730 50.283 25.899 1.00 0.00 H -ATOM 9481 O1 TIP3A3161 31.728 45.913 12.558 1.00 0.00 O -ATOM 9482 H1 TIP3A3161 31.481 44.990 12.609 1.00 0.00 H -ATOM 9483 H2 TIP3A3161 32.325 45.960 11.810 1.00 0.00 H -ATOM 9484 O1 TIP3A3162 49.683 51.206 25.563 1.00 0.00 O -ATOM 9485 H1 TIP3A3162 49.208 52.036 25.574 1.00 0.00 H -ATOM 9486 H2 TIP3A3162 49.174 50.630 26.135 1.00 0.00 H -ATOM 9487 O1 TIP3A3163 22.373 47.132 52.199 1.00 0.00 O -ATOM 9488 H1 TIP3A3163 21.925 46.433 51.723 1.00 0.00 H -ATOM 9489 H2 TIP3A3163 21.920 47.177 53.042 1.00 0.00 H -ATOM 9490 O1 TIP3A3164 33.340 3.828 34.464 1.00 0.00 O -ATOM 9491 H1 TIP3A3164 34.020 3.384 33.958 1.00 0.00 H -ATOM 9492 H2 TIP3A3164 33.641 3.771 35.372 1.00 0.00 H -ATOM 9493 O1 TIP3A3165 54.116 22.927 28.960 1.00 0.00 O -ATOM 9494 H1 TIP3A3165 54.946 23.286 29.272 1.00 0.00 H -ATOM 9495 H2 TIP3A3165 53.447 23.451 29.401 1.00 0.00 H -ATOM 9496 O1 TIP3A3166 24.139 13.840 47.325 1.00 0.00 O -ATOM 9497 H1 TIP3A3166 24.288 14.780 47.424 1.00 0.00 H -ATOM 9498 H2 TIP3A3166 23.304 13.777 46.860 1.00 0.00 H -ATOM 9499 O1 TIP3A3167 25.786 46.436 35.775 1.00 0.00 O -ATOM 9500 H1 TIP3A3167 25.200 47.192 35.772 1.00 0.00 H -ATOM 9501 H2 TIP3A3167 25.236 45.705 35.492 1.00 0.00 H -ATOM 9502 O1 TIP3A3168 32.695 38.679 19.313 1.00 0.00 O -ATOM 9503 H1 TIP3A3168 33.595 38.884 19.064 1.00 0.00 H -ATOM 9504 H2 TIP3A3168 32.734 38.539 20.260 1.00 0.00 H -ATOM 9505 O1 TIP3A3169 44.288 48.327 4.734 1.00 0.00 O -ATOM 9506 H1 TIP3A3169 43.372 48.601 4.777 1.00 0.00 H -ATOM 9507 H2 TIP3A3169 44.342 47.574 5.322 1.00 0.00 H -ATOM 9508 O1 TIP3A3170 0.936 50.166 13.680 1.00 0.00 O -ATOM 9509 H1 TIP3A3170 -0.000 49.972 13.690 1.00 0.00 H -ATOM 9510 H2 TIP3A3170 1.313 49.567 14.325 1.00 0.00 H -ATOM 9511 O1 TIP3A3171 20.524 5.334 9.863 1.00 0.00 O -ATOM 9512 H1 TIP3A3171 21.354 4.861 9.913 1.00 0.00 H -ATOM 9513 H2 TIP3A3171 20.590 6.008 10.540 1.00 0.00 H -ATOM 9514 O1 TIP3A3172 43.627 3.731 18.652 1.00 0.00 O -ATOM 9515 H1 TIP3A3172 43.849 2.812 18.799 1.00 0.00 H -ATOM 9516 H2 TIP3A3172 43.041 3.718 17.895 1.00 0.00 H -ATOM 9517 O1 TIP3A3173 58.000 17.680 44.178 1.00 0.00 O -ATOM 9518 H1 TIP3A3173 57.253 18.277 44.207 1.00 0.00 H -ATOM 9519 H2 TIP3A3173 57.959 17.203 45.008 1.00 0.00 H -ATOM 9520 O1 TIP3A3174 56.248 30.199 7.949 1.00 0.00 O -ATOM 9521 H1 TIP3A3174 56.339 29.413 7.411 1.00 0.00 H -ATOM 9522 H2 TIP3A3174 56.715 29.991 8.759 1.00 0.00 H -ATOM 9523 O1 TIP3A3175 17.069 57.224 29.507 1.00 0.00 O -ATOM 9524 H1 TIP3A3175 16.160 57.397 29.747 1.00 0.00 H -ATOM 9525 H2 TIP3A3175 17.581 57.813 30.062 1.00 0.00 H -ATOM 9526 O1 TIP3A3176 25.880 2.068 36.992 1.00 0.00 O -ATOM 9527 H1 TIP3A3176 26.834 2.019 36.937 1.00 0.00 H -ATOM 9528 H2 TIP3A3176 25.712 2.695 37.696 1.00 0.00 H -ATOM 9529 O1 TIP3A3177 6.020 41.574 47.952 1.00 0.00 O -ATOM 9530 H1 TIP3A3177 6.135 40.663 48.220 1.00 0.00 H -ATOM 9531 H2 TIP3A3177 6.334 42.085 48.697 1.00 0.00 H -ATOM 9532 O1 TIP3A3178 38.127 15.151 50.480 1.00 0.00 O -ATOM 9533 H1 TIP3A3178 38.902 14.837 50.014 1.00 0.00 H -ATOM 9534 H2 TIP3A3178 38.393 15.175 51.399 1.00 0.00 H -ATOM 9535 O1 TIP3A3179 10.359 27.140 36.364 1.00 0.00 O -ATOM 9536 H1 TIP3A3179 11.045 26.476 36.422 1.00 0.00 H -ATOM 9537 H2 TIP3A3179 10.007 27.046 35.478 1.00 0.00 H -ATOM 9538 O1 TIP3A3180 44.307 38.390 12.491 1.00 0.00 O -ATOM 9539 H1 TIP3A3180 43.560 38.539 11.912 1.00 0.00 H -ATOM 9540 H2 TIP3A3180 43.917 38.249 13.354 1.00 0.00 H -ATOM 9541 O1 TIP3A3181 26.239 54.313 56.427 1.00 0.00 O -ATOM 9542 H1 TIP3A3181 26.681 54.613 57.221 1.00 0.00 H -ATOM 9543 H2 TIP3A3181 26.803 53.617 56.087 1.00 0.00 H -ATOM 9544 O1 TIP3A3182 32.403 22.815 38.487 1.00 0.00 O -ATOM 9545 H1 TIP3A3182 32.944 22.124 38.105 1.00 0.00 H -ATOM 9546 H2 TIP3A3182 31.617 22.835 37.940 1.00 0.00 H -ATOM 9547 O1 TIP3A3183 46.163 8.287 42.081 1.00 0.00 O -ATOM 9548 H1 TIP3A3183 46.730 9.042 41.928 1.00 0.00 H -ATOM 9549 H2 TIP3A3183 46.456 7.932 42.921 1.00 0.00 H -ATOM 9550 O1 TIP3A3184 12.379 49.550 28.523 1.00 0.00 O -ATOM 9551 H1 TIP3A3184 12.091 49.039 27.767 1.00 0.00 H -ATOM 9552 H2 TIP3A3184 12.149 50.454 28.304 1.00 0.00 H -ATOM 9553 O1 TIP3A3185 32.224 8.484 8.744 1.00 0.00 O -ATOM 9554 H1 TIP3A3185 31.455 9.029 8.583 1.00 0.00 H -ATOM 9555 H2 TIP3A3185 32.617 8.361 7.879 1.00 0.00 H -ATOM 9556 O1 TIP3A3186 53.014 29.764 33.560 1.00 0.00 O -ATOM 9557 H1 TIP3A3186 53.708 29.346 33.052 1.00 0.00 H -ATOM 9558 H2 TIP3A3186 52.566 30.332 32.933 1.00 0.00 H -ATOM 9559 O1 TIP3A3187 55.320 26.406 4.711 1.00 0.00 O -ATOM 9560 H1 TIP3A3187 56.196 26.058 4.547 1.00 0.00 H -ATOM 9561 H2 TIP3A3187 54.943 26.527 3.839 1.00 0.00 H -ATOM 9562 O1 TIP3A3188 1.756 27.734 26.213 1.00 0.00 O -ATOM 9563 H1 TIP3A3188 1.624 26.894 25.775 1.00 0.00 H -ATOM 9564 H2 TIP3A3188 0.918 28.189 26.117 1.00 0.00 H -ATOM 9565 O1 TIP3A3189 5.312 50.717 44.808 1.00 0.00 O -ATOM 9566 H1 TIP3A3189 5.690 51.556 44.546 1.00 0.00 H -ATOM 9567 H2 TIP3A3189 4.898 50.894 45.653 1.00 0.00 H -ATOM 9568 O1 TIP3A3190 46.912 31.168 29.914 1.00 0.00 O -ATOM 9569 H1 TIP3A3190 46.971 30.580 29.162 1.00 0.00 H -ATOM 9570 H2 TIP3A3190 46.354 31.886 29.616 1.00 0.00 H -ATOM 9571 O1 TIP3A3191 35.593 2.383 54.217 1.00 0.00 O -ATOM 9572 H1 TIP3A3191 35.990 1.575 54.539 1.00 0.00 H -ATOM 9573 H2 TIP3A3191 35.115 2.118 53.430 1.00 0.00 H -ATOM 9574 O1 TIP3A3192 16.607 12.998 14.049 1.00 0.00 O -ATOM 9575 H1 TIP3A3192 16.830 12.127 13.721 1.00 0.00 H -ATOM 9576 H2 TIP3A3192 17.390 13.285 14.519 1.00 0.00 H -ATOM 9577 O1 TIP3A3193 13.052 3.207 52.706 1.00 0.00 O -ATOM 9578 H1 TIP3A3193 12.154 3.436 52.471 1.00 0.00 H -ATOM 9579 H2 TIP3A3193 13.241 3.737 53.481 1.00 0.00 H -ATOM 9580 O1 TIP3A3194 36.506 6.488 20.782 1.00 0.00 O -ATOM 9581 H1 TIP3A3194 36.519 5.661 21.262 1.00 0.00 H -ATOM 9582 H2 TIP3A3194 36.830 7.136 21.409 1.00 0.00 H -ATOM 9583 O1 TIP3A3195 38.975 32.017 42.075 1.00 0.00 O -ATOM 9584 H1 TIP3A3195 38.338 32.723 42.181 1.00 0.00 H -ATOM 9585 H2 TIP3A3195 39.619 32.169 42.768 1.00 0.00 H -ATOM 9586 O1 TIP3A3196 34.136 40.376 9.030 1.00 0.00 O -ATOM 9587 H1 TIP3A3196 33.264 40.344 9.422 1.00 0.00 H -ATOM 9588 H2 TIP3A3196 34.128 41.167 8.490 1.00 0.00 H -ATOM 9589 O1 TIP3A3197 31.013 38.859 4.619 1.00 0.00 O -ATOM 9590 H1 TIP3A3197 30.164 38.544 4.311 1.00 0.00 H -ATOM 9591 H2 TIP3A3197 31.607 38.120 4.482 1.00 0.00 H -ATOM 9592 O1 TIP3A3198 27.452 8.902 34.051 1.00 0.00 O -ATOM 9593 H1 TIP3A3198 27.079 9.331 34.820 1.00 0.00 H -ATOM 9594 H2 TIP3A3198 26.692 8.645 33.527 1.00 0.00 H -ATOM 9595 O1 TIP3A3199 30.285 17.883 15.962 1.00 0.00 O -ATOM 9596 H1 TIP3A3199 30.806 18.455 15.400 1.00 0.00 H -ATOM 9597 H2 TIP3A3199 30.559 18.106 16.852 1.00 0.00 H -ATOM 9598 O1 TIP3A3200 35.533 52.066 42.036 1.00 0.00 O -ATOM 9599 H1 TIP3A3200 35.939 51.205 42.127 1.00 0.00 H -ATOM 9600 H2 TIP3A3200 34.818 51.931 41.414 1.00 0.00 H -ATOM 9601 O1 TIP3A3201 36.642 21.085 14.297 1.00 0.00 O -ATOM 9602 H1 TIP3A3201 35.818 21.455 14.613 1.00 0.00 H -ATOM 9603 H2 TIP3A3201 36.749 20.275 14.797 1.00 0.00 H -ATOM 9604 O1 TIP3A3202 24.723 43.658 25.263 1.00 0.00 O -ATOM 9605 H1 TIP3A3202 23.851 43.973 25.497 1.00 0.00 H -ATOM 9606 H2 TIP3A3202 25.167 43.535 26.103 1.00 0.00 H -ATOM 9607 O1 TIP3A3203 13.985 53.006 14.874 1.00 0.00 O -ATOM 9608 H1 TIP3A3203 13.553 53.738 15.313 1.00 0.00 H -ATOM 9609 H2 TIP3A3203 14.864 53.329 14.677 1.00 0.00 H -ATOM 9610 O1 TIP3A3204 23.393 40.987 39.358 1.00 0.00 O -ATOM 9611 H1 TIP3A3204 24.231 41.194 38.948 1.00 0.00 H -ATOM 9612 H2 TIP3A3204 23.434 41.411 40.216 1.00 0.00 H -ATOM 9613 O1 TIP3A3205 43.986 23.256 52.363 1.00 0.00 O -ATOM 9614 H1 TIP3A3205 44.174 22.318 52.393 1.00 0.00 H -ATOM 9615 H2 TIP3A3205 44.475 23.623 53.100 1.00 0.00 H -ATOM 9616 O1 TIP3A3206 7.963 36.802 48.317 1.00 0.00 O -ATOM 9617 H1 TIP3A3206 7.483 36.089 48.737 1.00 0.00 H -ATOM 9618 H2 TIP3A3206 8.832 36.776 48.720 1.00 0.00 H -ATOM 9619 O1 TIP3A3207 5.375 48.826 19.304 1.00 0.00 O -ATOM 9620 H1 TIP3A3207 5.051 49.406 18.616 1.00 0.00 H -ATOM 9621 H2 TIP3A3207 5.940 48.202 18.846 1.00 0.00 H -ATOM 9622 O1 TIP3A3208 40.394 55.355 23.492 1.00 0.00 O -ATOM 9623 H1 TIP3A3208 40.585 56.282 23.630 1.00 0.00 H -ATOM 9624 H2 TIP3A3208 41.091 55.051 22.909 1.00 0.00 H -ATOM 9625 O1 TIP3A3209 12.211 11.223 32.784 1.00 0.00 O -ATOM 9626 H1 TIP3A3209 11.641 11.978 32.640 1.00 0.00 H -ATOM 9627 H2 TIP3A3209 11.669 10.603 33.273 1.00 0.00 H -ATOM 9628 O1 TIP3A3210 55.363 30.778 35.303 1.00 0.00 O -ATOM 9629 H1 TIP3A3210 55.846 31.429 34.795 1.00 0.00 H -ATOM 9630 H2 TIP3A3210 55.173 31.215 36.134 1.00 0.00 H -ATOM 9631 O1 TIP3A3211 53.121 24.629 35.901 1.00 0.00 O -ATOM 9632 H1 TIP3A3211 52.780 24.022 35.245 1.00 0.00 H -ATOM 9633 H2 TIP3A3211 52.771 25.482 35.644 1.00 0.00 H -ATOM 9634 O1 TIP3A3212 9.175 51.571 7.501 1.00 0.00 O -ATOM 9635 H1 TIP3A3212 8.779 52.415 7.290 1.00 0.00 H -ATOM 9636 H2 TIP3A3212 8.778 51.320 8.336 1.00 0.00 H -ATOM 9637 O1 TIP3A3213 52.331 33.431 13.016 1.00 0.00 O -ATOM 9638 H1 TIP3A3213 52.941 34.133 13.239 1.00 0.00 H -ATOM 9639 H2 TIP3A3213 52.645 33.099 12.174 1.00 0.00 H -ATOM 9640 O1 TIP3A3214 25.936 41.839 46.979 1.00 0.00 O -ATOM 9641 H1 TIP3A3214 25.356 41.114 46.749 1.00 0.00 H -ATOM 9642 H2 TIP3A3214 25.610 42.579 46.465 1.00 0.00 H -ATOM 9643 O1 TIP3A3215 33.692 26.341 38.090 1.00 0.00 O -ATOM 9644 H1 TIP3A3215 33.339 25.461 38.216 1.00 0.00 H -ATOM 9645 H2 TIP3A3215 34.304 26.461 38.817 1.00 0.00 H -ATOM 9646 O1 TIP3A3216 26.005 57.399 0.799 1.00 0.00 O -ATOM 9647 H1 TIP3A3216 26.453 58.000 1.393 1.00 0.00 H -ATOM 9648 H2 TIP3A3216 26.528 57.420 -0.003 1.00 0.00 H -ATOM 9649 O1 TIP3A3217 40.421 36.749 45.729 1.00 0.00 O -ATOM 9650 H1 TIP3A3217 39.983 36.376 44.965 1.00 0.00 H -ATOM 9651 H2 TIP3A3217 41.065 37.357 45.363 1.00 0.00 H -ATOM 9652 O1 TIP3A3218 9.935 5.437 0.408 1.00 0.00 O -ATOM 9653 H1 TIP3A3218 9.430 5.553 1.212 1.00 0.00 H -ATOM 9654 H2 TIP3A3218 9.940 6.304 -0.000 1.00 0.00 H -ATOM 9655 O1 TIP3A3219 14.354 4.850 8.976 1.00 0.00 O -ATOM 9656 H1 TIP3A3219 13.711 4.310 8.516 1.00 0.00 H -ATOM 9657 H2 TIP3A3219 14.924 5.185 8.284 1.00 0.00 H -ATOM 9658 O1 TIP3A3220 43.097 50.668 32.886 1.00 0.00 O -ATOM 9659 H1 TIP3A3220 43.182 51.604 32.712 1.00 0.00 H -ATOM 9660 H2 TIP3A3220 42.487 50.615 33.623 1.00 0.00 H -ATOM 9661 O1 TIP3A3221 56.944 3.930 55.669 1.00 0.00 O -ATOM 9662 H1 TIP3A3221 56.558 4.672 55.205 1.00 0.00 H -ATOM 9663 H2 TIP3A3221 57.858 4.180 55.805 1.00 0.00 H -ATOM 9664 O1 TIP3A3222 37.605 41.768 6.616 1.00 0.00 O -ATOM 9665 H1 TIP3A3222 36.785 42.106 6.974 1.00 0.00 H -ATOM 9666 H2 TIP3A3222 37.702 42.214 5.774 1.00 0.00 H -ATOM 9667 O1 TIP3A3223 56.200 37.209 32.352 1.00 0.00 O -ATOM 9668 H1 TIP3A3223 56.679 36.550 31.850 1.00 0.00 H -ATOM 9669 H2 TIP3A3223 55.368 36.786 32.570 1.00 0.00 H -ATOM 9670 O1 TIP3A3224 27.877 35.524 33.557 1.00 0.00 O -ATOM 9671 H1 TIP3A3224 27.050 35.112 33.312 1.00 0.00 H -ATOM 9672 H2 TIP3A3224 27.978 36.248 32.938 1.00 0.00 H -ATOM 9673 O1 TIP3A3225 5.600 42.422 25.323 1.00 0.00 O -ATOM 9674 H1 TIP3A3225 6.410 42.031 25.648 1.00 0.00 H -ATOM 9675 H2 TIP3A3225 5.375 43.085 25.977 1.00 0.00 H -ATOM 9676 O1 TIP3A3226 43.987 12.254 33.318 1.00 0.00 O -ATOM 9677 H1 TIP3A3226 44.915 12.332 33.100 1.00 0.00 H -ATOM 9678 H2 TIP3A3226 43.852 12.888 34.023 1.00 0.00 H -ATOM 9679 O1 TIP3A3227 33.320 23.375 47.146 1.00 0.00 O -ATOM 9680 H1 TIP3A3227 32.540 23.875 46.906 1.00 0.00 H -ATOM 9681 H2 TIP3A3227 33.687 23.087 46.309 1.00 0.00 H -ATOM 9682 O1 TIP3A3228 21.272 47.130 15.560 1.00 0.00 O -ATOM 9683 H1 TIP3A3228 22.190 47.318 15.368 1.00 0.00 H -ATOM 9684 H2 TIP3A3228 21.000 46.526 14.869 1.00 0.00 H -ATOM 9685 O1 TIP3A3229 13.912 9.892 52.665 1.00 0.00 O -ATOM 9686 H1 TIP3A3229 14.830 10.154 52.608 1.00 0.00 H -ATOM 9687 H2 TIP3A3229 13.446 10.698 52.892 1.00 0.00 H -ATOM 9688 O1 TIP3A3230 54.218 39.499 18.101 1.00 0.00 O -ATOM 9689 H1 TIP3A3230 53.295 39.267 18.006 1.00 0.00 H -ATOM 9690 H2 TIP3A3230 54.239 40.451 18.004 1.00 0.00 H -ATOM 9691 O1 TIP3A3231 34.559 38.518 47.499 1.00 0.00 O -ATOM 9692 H1 TIP3A3231 34.741 37.613 47.248 1.00 0.00 H -ATOM 9693 H2 TIP3A3231 33.677 38.687 47.165 1.00 0.00 H -ATOM 9694 O1 TIP3A3232 20.910 44.477 53.045 1.00 0.00 O -ATOM 9695 H1 TIP3A3232 19.962 44.419 53.164 1.00 0.00 H -ATOM 9696 H2 TIP3A3232 21.158 43.631 52.672 1.00 0.00 H -ATOM 9697 O1 TIP3A3233 55.370 48.946 45.784 1.00 0.00 O -ATOM 9698 H1 TIP3A3233 55.021 49.808 45.559 1.00 0.00 H -ATOM 9699 H2 TIP3A3233 56.266 48.954 45.445 1.00 0.00 H -ATOM 9700 O1 TIP3A3234 54.543 2.717 55.370 1.00 0.00 O -ATOM 9701 H1 TIP3A3234 53.690 3.142 55.460 1.00 0.00 H -ATOM 9702 H2 TIP3A3234 54.866 2.634 56.268 1.00 0.00 H -ATOM 9703 O1 TIP3A3235 0.644 3.605 26.119 1.00 0.00 O -ATOM 9704 H1 TIP3A3235 1.466 4.001 25.830 1.00 0.00 H -ATOM 9705 H2 TIP3A3235 0.618 2.756 25.678 1.00 0.00 H -ATOM 9706 O1 TIP3A3236 22.797 1.277 16.291 1.00 0.00 O -ATOM 9707 H1 TIP3A3236 22.560 0.591 16.915 1.00 0.00 H -ATOM 9708 H2 TIP3A3236 22.970 2.046 16.835 1.00 0.00 H -ATOM 9709 O1 TIP3A3237 5.105 56.446 52.401 1.00 0.00 O -ATOM 9710 H1 TIP3A3237 5.415 56.979 51.670 1.00 0.00 H -ATOM 9711 H2 TIP3A3237 4.956 57.074 53.110 1.00 0.00 H -ATOM 9712 O1 TIP3A3238 42.324 8.336 14.974 1.00 0.00 O -ATOM 9713 H1 TIP3A3238 42.789 7.501 15.012 1.00 0.00 H -ATOM 9714 H2 TIP3A3238 42.984 8.966 14.684 1.00 0.00 H -ATOM 9715 O1 TIP3A3239 49.605 37.335 10.008 1.00 0.00 O -ATOM 9716 H1 TIP3A3239 50.448 36.938 10.226 1.00 0.00 H -ATOM 9717 H2 TIP3A3239 49.330 36.889 9.206 1.00 0.00 H -ATOM 9718 O1 TIP3A3240 10.208 48.270 19.961 1.00 0.00 O -ATOM 9719 H1 TIP3A3240 9.530 47.973 20.567 1.00 0.00 H -ATOM 9720 H2 TIP3A3240 10.717 47.483 19.766 1.00 0.00 H -ATOM 9721 O1 TIP3A3241 5.057 18.510 44.896 1.00 0.00 O -ATOM 9722 H1 TIP3A3241 4.117 18.348 44.819 1.00 0.00 H -ATOM 9723 H2 TIP3A3241 5.412 17.698 45.259 1.00 0.00 H -ATOM 9724 O1 TIP3A3242 51.557 49.429 19.221 1.00 0.00 O -ATOM 9725 H1 TIP3A3242 52.360 48.974 19.472 1.00 0.00 H -ATOM 9726 H2 TIP3A3242 51.254 48.968 18.438 1.00 0.00 H -ATOM 9727 O1 TIP3A3243 34.023 39.294 34.691 1.00 0.00 O -ATOM 9728 H1 TIP3A3243 34.110 39.759 33.860 1.00 0.00 H -ATOM 9729 H2 TIP3A3243 34.921 39.206 35.013 1.00 0.00 H -ATOM 9730 O1 TIP3A3244 19.591 24.096 14.100 1.00 0.00 O -ATOM 9731 H1 TIP3A3244 20.395 24.213 13.596 1.00 0.00 H -ATOM 9732 H2 TIP3A3244 19.189 23.308 13.732 1.00 0.00 H -ATOM 9733 O1 TIP3A3245 31.637 50.597 33.609 1.00 0.00 O -ATOM 9734 H1 TIP3A3245 31.144 51.407 33.730 1.00 0.00 H -ATOM 9735 H2 TIP3A3245 31.140 49.938 34.096 1.00 0.00 H -ATOM 9736 O1 TIP3A3246 44.133 15.222 51.228 1.00 0.00 O -ATOM 9737 H1 TIP3A3246 43.567 15.993 51.213 1.00 0.00 H -ATOM 9738 H2 TIP3A3246 44.965 15.528 50.867 1.00 0.00 H -ATOM 9739 O1 TIP3A3247 0.951 46.859 2.960 1.00 0.00 O -ATOM 9740 H1 TIP3A3247 1.550 46.114 2.928 1.00 0.00 H -ATOM 9741 H2 TIP3A3247 1.289 47.408 3.668 1.00 0.00 H -ATOM 9742 O1 TIP3A3248 3.979 25.474 33.928 1.00 0.00 O -ATOM 9743 H1 TIP3A3248 3.648 24.593 34.095 1.00 0.00 H -ATOM 9744 H2 TIP3A3248 4.919 25.355 33.784 1.00 0.00 H -ATOM 9745 O1 TIP3A3249 0.992 27.105 34.170 1.00 0.00 O -ATOM 9746 H1 TIP3A3249 0.086 26.940 33.909 1.00 0.00 H -ATOM 9747 H2 TIP3A3249 1.225 27.920 33.724 1.00 0.00 H -ATOM 9748 O1 TIP3A3250 47.466 45.881 4.527 1.00 0.00 O -ATOM 9749 H1 TIP3A3250 48.129 46.552 4.686 1.00 0.00 H -ATOM 9750 H2 TIP3A3250 47.732 45.470 3.704 1.00 0.00 H -ATOM 9751 O1 TIP3A3251 38.989 1.703 45.927 1.00 0.00 O -ATOM 9752 H1 TIP3A3251 39.911 1.857 45.726 1.00 0.00 H -ATOM 9753 H2 TIP3A3251 38.995 0.954 46.525 1.00 0.00 H -ATOM 9754 O1 TIP3A3252 38.255 49.982 21.980 1.00 0.00 O -ATOM 9755 H1 TIP3A3252 38.379 49.042 22.111 1.00 0.00 H -ATOM 9756 H2 TIP3A3252 38.586 50.382 22.784 1.00 0.00 H -ATOM 9757 O1 TIP3A3253 11.864 15.215 46.843 1.00 0.00 O -ATOM 9758 H1 TIP3A3253 12.489 14.496 46.752 1.00 0.00 H -ATOM 9759 H2 TIP3A3253 11.533 15.359 45.955 1.00 0.00 H -ATOM 9760 O1 TIP3A3254 40.647 15.114 20.361 1.00 0.00 O -ATOM 9761 H1 TIP3A3254 39.983 15.483 19.779 1.00 0.00 H -ATOM 9762 H2 TIP3A3254 41.384 14.908 19.784 1.00 0.00 H -ATOM 9763 O1 TIP3A3255 40.761 51.327 35.366 1.00 0.00 O -ATOM 9764 H1 TIP3A3255 41.174 50.474 35.496 1.00 0.00 H -ATOM 9765 H2 TIP3A3255 41.487 51.952 35.392 1.00 0.00 H -ATOM 9766 O1 TIP3A3256 41.181 41.376 38.233 1.00 0.00 O -ATOM 9767 H1 TIP3A3256 41.287 40.432 38.344 1.00 0.00 H -ATOM 9768 H2 TIP3A3256 41.481 41.750 39.063 1.00 0.00 H -ATOM 9769 O1 TIP3A3257 19.925 24.323 16.769 1.00 0.00 O -ATOM 9770 H1 TIP3A3257 19.173 23.734 16.725 1.00 0.00 H -ATOM 9771 H2 TIP3A3257 19.727 25.014 16.137 1.00 0.00 H -ATOM 9772 O1 TIP3A3258 42.414 36.626 37.330 1.00 0.00 O -ATOM 9773 H1 TIP3A3258 41.696 35.999 37.247 1.00 0.00 H -ATOM 9774 H2 TIP3A3258 42.200 37.320 36.705 1.00 0.00 H -ATOM 9775 O1 TIP3A3259 17.979 26.555 33.225 1.00 0.00 O -ATOM 9776 H1 TIP3A3259 18.292 26.887 32.385 1.00 0.00 H -ATOM 9777 H2 TIP3A3259 17.211 26.027 33.003 1.00 0.00 H -ATOM 9778 O1 TIP3A3260 18.474 45.991 41.585 1.00 0.00 O -ATOM 9779 H1 TIP3A3260 19.297 46.407 41.330 1.00 0.00 H -ATOM 9780 H2 TIP3A3260 18.409 46.144 42.528 1.00 0.00 H -ATOM 9781 O1 TIP3A3261 2.500 22.659 36.928 1.00 0.00 O -ATOM 9782 H1 TIP3A3261 2.075 23.014 36.149 1.00 0.00 H -ATOM 9783 H2 TIP3A3261 1.777 22.392 37.496 1.00 0.00 H -ATOM 9784 O1 TIP3A3262 16.505 32.899 24.383 1.00 0.00 O -ATOM 9785 H1 TIP3A3262 16.658 31.977 24.582 1.00 0.00 H -ATOM 9786 H2 TIP3A3262 17.381 33.279 24.311 1.00 0.00 H -ATOM 9787 O1 TIP3A3263 42.132 1.690 52.914 1.00 0.00 O -ATOM 9788 H1 TIP3A3263 42.707 2.374 53.255 1.00 0.00 H -ATOM 9789 H2 TIP3A3263 42.674 0.900 52.912 1.00 0.00 H -ATOM 9790 O1 TIP3A3264 17.429 33.294 47.373 1.00 0.00 O -ATOM 9791 H1 TIP3A3264 17.863 34.144 47.300 1.00 0.00 H -ATOM 9792 H2 TIP3A3264 17.974 32.701 46.855 1.00 0.00 H -ATOM 9793 O1 TIP3A3265 12.694 38.869 1.067 1.00 0.00 O -ATOM 9794 H1 TIP3A3265 12.452 37.991 1.362 1.00 0.00 H -ATOM 9795 H2 TIP3A3265 12.076 39.064 0.362 1.00 0.00 H -ATOM 9796 O1 TIP3A3266 42.709 25.223 2.949 1.00 0.00 O -ATOM 9797 H1 TIP3A3266 42.368 25.905 2.371 1.00 0.00 H -ATOM 9798 H2 TIP3A3266 43.654 25.376 2.970 1.00 0.00 H -ATOM 9799 O1 TIP3A3267 20.282 29.887 34.816 1.00 0.00 O -ATOM 9800 H1 TIP3A3267 19.335 30.023 34.833 1.00 0.00 H -ATOM 9801 H2 TIP3A3267 20.610 30.558 34.217 1.00 0.00 H -ATOM 9802 O1 TIP3A3268 4.628 15.359 45.529 1.00 0.00 O -ATOM 9803 H1 TIP3A3268 5.461 15.415 45.997 1.00 0.00 H -ATOM 9804 H2 TIP3A3268 4.070 16.010 45.954 1.00 0.00 H -ATOM 9805 O1 TIP3A3269 53.663 23.881 47.194 1.00 0.00 O -ATOM 9806 H1 TIP3A3269 54.243 23.404 47.786 1.00 0.00 H -ATOM 9807 H2 TIP3A3269 53.738 24.795 47.469 1.00 0.00 H -ATOM 9808 O1 TIP3A3270 0.348 4.333 20.100 1.00 0.00 O -ATOM 9809 H1 TIP3A3270 0.964 5.037 19.900 1.00 0.00 H -ATOM 9810 H2 TIP3A3270 0.156 4.440 21.032 1.00 0.00 H -ATOM 9811 O1 TIP3A3271 40.679 4.928 42.498 1.00 0.00 O -ATOM 9812 H1 TIP3A3271 40.672 4.013 42.218 1.00 0.00 H -ATOM 9813 H2 TIP3A3271 40.279 5.405 41.770 1.00 0.00 H -ATOM 9814 O1 TIP3A3272 16.200 26.503 47.847 1.00 0.00 O -ATOM 9815 H1 TIP3A3272 15.418 25.959 47.936 1.00 0.00 H -ATOM 9816 H2 TIP3A3272 16.801 25.976 47.320 1.00 0.00 H -ATOM 9817 O1 TIP3A3273 52.697 13.562 32.124 1.00 0.00 O -ATOM 9818 H1 TIP3A3273 52.566 13.054 32.924 1.00 0.00 H -ATOM 9819 H2 TIP3A3273 53.115 12.950 31.517 1.00 0.00 H -ATOM 9820 O1 TIP3A3274 28.408 30.732 42.595 1.00 0.00 O -ATOM 9821 H1 TIP3A3274 29.134 30.338 42.113 1.00 0.00 H -ATOM 9822 H2 TIP3A3274 27.629 30.494 42.092 1.00 0.00 H -ATOM 9823 O1 TIP3A3275 9.398 36.261 13.757 1.00 0.00 O -ATOM 9824 H1 TIP3A3275 8.521 36.125 13.402 1.00 0.00 H -ATOM 9825 H2 TIP3A3275 9.885 36.672 13.042 1.00 0.00 H -ATOM 9826 O1 TIP3A3276 48.044 1.860 50.668 1.00 0.00 O -ATOM 9827 H1 TIP3A3276 47.738 0.968 50.507 1.00 0.00 H -ATOM 9828 H2 TIP3A3276 47.410 2.417 50.214 1.00 0.00 H -ATOM 9829 O1 TIP3A3277 4.828 22.946 32.344 1.00 0.00 O -ATOM 9830 H1 TIP3A3277 4.490 23.823 32.165 1.00 0.00 H -ATOM 9831 H2 TIP3A3277 4.322 22.643 33.098 1.00 0.00 H -ATOM 9832 O1 TIP3A3278 23.178 12.324 0.758 1.00 0.00 O -ATOM 9833 H1 TIP3A3278 23.844 11.697 0.478 1.00 0.00 H -ATOM 9834 H2 TIP3A3278 23.049 12.894 -0.001 1.00 0.00 H -ATOM 9835 O1 TIP3A3279 50.563 33.719 11.273 1.00 0.00 O -ATOM 9836 H1 TIP3A3279 51.222 34.390 11.098 1.00 0.00 H -ATOM 9837 H2 TIP3A3279 50.771 33.012 10.662 1.00 0.00 H -ATOM 9838 O1 TIP3A3280 57.282 14.488 22.140 1.00 0.00 O -ATOM 9839 H1 TIP3A3280 56.468 13.986 22.185 1.00 0.00 H -ATOM 9840 H2 TIP3A3280 57.126 15.137 21.453 1.00 0.00 H -ATOM 9841 O1 TIP3A3281 27.737 36.539 55.766 1.00 0.00 O -ATOM 9842 H1 TIP3A3281 27.963 37.400 56.116 1.00 0.00 H -ATOM 9843 H2 TIP3A3281 27.746 36.655 54.816 1.00 0.00 H -ATOM 9844 O1 TIP3A3282 4.090 29.836 43.071 1.00 0.00 O -ATOM 9845 H1 TIP3A3282 4.158 28.890 42.950 1.00 0.00 H -ATOM 9846 H2 TIP3A3282 4.919 30.087 43.480 1.00 0.00 H -ATOM 9847 O1 TIP3A3283 3.047 16.014 10.531 1.00 0.00 O -ATOM 9848 H1 TIP3A3283 2.446 16.744 10.680 1.00 0.00 H -ATOM 9849 H2 TIP3A3283 2.780 15.350 11.168 1.00 0.00 H -ATOM 9850 O1 TIP3A3284 31.323 47.828 24.438 1.00 0.00 O -ATOM 9851 H1 TIP3A3284 31.469 48.218 23.578 1.00 0.00 H -ATOM 9852 H2 TIP3A3284 32.157 47.935 24.896 1.00 0.00 H -ATOM 9853 O1 TIP3A3285 50.303 28.011 38.738 1.00 0.00 O -ATOM 9854 H1 TIP3A3285 49.564 28.300 39.272 1.00 0.00 H -ATOM 9855 H2 TIP3A3285 51.008 28.624 38.951 1.00 0.00 H -ATOM 9856 O1 TIP3A3286 21.577 17.283 29.282 1.00 0.00 O -ATOM 9857 H1 TIP3A3286 21.091 17.456 30.087 1.00 0.00 H -ATOM 9858 H2 TIP3A3286 22.244 16.645 29.536 1.00 0.00 H -ATOM 9859 O1 TIP3A3287 41.487 23.632 46.416 1.00 0.00 O -ATOM 9860 H1 TIP3A3287 42.089 24.375 46.385 1.00 0.00 H -ATOM 9861 H2 TIP3A3287 40.911 23.820 47.157 1.00 0.00 H -ATOM 9862 O1 TIP3A3288 19.638 46.072 27.879 1.00 0.00 O -ATOM 9863 H1 TIP3A3288 19.349 46.968 27.715 1.00 0.00 H -ATOM 9864 H2 TIP3A3288 20.589 46.101 27.767 1.00 0.00 H -ATOM 9865 O1 TIP3A3289 13.221 7.085 52.612 1.00 0.00 O -ATOM 9866 H1 TIP3A3289 13.811 6.347 52.760 1.00 0.00 H -ATOM 9867 H2 TIP3A3289 12.626 6.783 51.925 1.00 0.00 H -ATOM 9868 O1 TIP3A3290 6.135 30.534 22.422 1.00 0.00 O -ATOM 9869 H1 TIP3A3290 6.624 31.343 22.572 1.00 0.00 H -ATOM 9870 H2 TIP3A3290 6.630 30.076 21.742 1.00 0.00 H -ATOM 9871 O1 TIP3A3291 53.030 33.358 47.955 1.00 0.00 O -ATOM 9872 H1 TIP3A3291 52.899 32.604 48.529 1.00 0.00 H -ATOM 9873 H2 TIP3A3291 52.747 34.109 48.477 1.00 0.00 H -ATOM 9874 O1 TIP3A3292 33.495 16.686 42.733 1.00 0.00 O -ATOM 9875 H1 TIP3A3292 33.874 16.121 42.060 1.00 0.00 H -ATOM 9876 H2 TIP3A3292 34.251 17.059 43.187 1.00 0.00 H -ATOM 9877 O1 TIP3A3293 31.546 21.267 51.057 1.00 0.00 O -ATOM 9878 H1 TIP3A3293 30.993 21.260 51.837 1.00 0.00 H -ATOM 9879 H2 TIP3A3293 31.703 20.342 50.864 1.00 0.00 H -ATOM 9880 O1 TIP3A3294 22.577 18.709 24.442 1.00 0.00 O -ATOM 9881 H1 TIP3A3294 22.487 17.877 23.979 1.00 0.00 H -ATOM 9882 H2 TIP3A3294 23.160 19.230 23.890 1.00 0.00 H -ATOM 9883 O1 TIP3A3295 37.233 29.642 12.216 1.00 0.00 O -ATOM 9884 H1 TIP3A3295 38.060 30.120 12.279 1.00 0.00 H -ATOM 9885 H2 TIP3A3295 36.668 30.054 12.871 1.00 0.00 H -ATOM 9886 O1 TIP3A3296 56.365 35.636 10.137 1.00 0.00 O -ATOM 9887 H1 TIP3A3296 55.798 34.974 9.744 1.00 0.00 H -ATOM 9888 H2 TIP3A3296 56.407 36.335 9.484 1.00 0.00 H -ATOM 9889 O1 TIP3A3297 2.888 38.708 25.532 1.00 0.00 O -ATOM 9890 H1 TIP3A3297 2.863 37.841 25.937 1.00 0.00 H -ATOM 9891 H2 TIP3A3297 3.696 38.709 25.017 1.00 0.00 H -ATOM 9892 O1 TIP3A3298 48.549 22.001 50.676 1.00 0.00 O -ATOM 9893 H1 TIP3A3298 48.140 21.255 50.238 1.00 0.00 H -ATOM 9894 H2 TIP3A3298 49.148 21.607 51.311 1.00 0.00 H -ATOM 9895 O1 TIP3A3299 31.851 21.858 15.076 1.00 0.00 O -ATOM 9896 H1 TIP3A3299 32.780 21.650 15.167 1.00 0.00 H -ATOM 9897 H2 TIP3A3299 31.584 21.419 14.268 1.00 0.00 H -ATOM 9898 O1 TIP3A3300 48.545 41.240 10.479 1.00 0.00 O -ATOM 9899 H1 TIP3A3300 48.493 40.451 9.940 1.00 0.00 H -ATOM 9900 H2 TIP3A3300 49.297 41.090 11.052 1.00 0.00 H -ATOM 9901 O1 TIP3A3301 22.378 41.628 7.995 1.00 0.00 O -ATOM 9902 H1 TIP3A3301 22.811 42.359 8.435 1.00 0.00 H -ATOM 9903 H2 TIP3A3301 21.845 41.218 8.677 1.00 0.00 H -ATOM 9904 O1 TIP3A3302 3.396 18.394 33.617 1.00 0.00 O -ATOM 9905 H1 TIP3A3302 2.821 18.228 34.363 1.00 0.00 H -ATOM 9906 H2 TIP3A3302 3.645 17.523 33.307 1.00 0.00 H -ATOM 9907 O1 TIP3A3303 16.870 4.115 47.973 1.00 0.00 O -ATOM 9908 H1 TIP3A3303 15.970 3.849 48.156 1.00 0.00 H -ATOM 9909 H2 TIP3A3303 17.283 3.331 47.609 1.00 0.00 H -ATOM 9910 O1 TIP3A3304 6.496 38.837 16.761 1.00 0.00 O -ATOM 9911 H1 TIP3A3304 5.719 38.846 16.203 1.00 0.00 H -ATOM 9912 H2 TIP3A3304 7.229 38.756 16.150 1.00 0.00 H -ATOM 9913 O1 TIP3A3305 52.721 49.950 47.224 1.00 0.00 O -ATOM 9914 H1 TIP3A3305 53.667 50.078 47.283 1.00 0.00 H -ATOM 9915 H2 TIP3A3305 52.610 49.296 46.533 1.00 0.00 H -ATOM 9916 O1 TIP3A3306 26.839 27.533 42.876 1.00 0.00 O -ATOM 9917 H1 TIP3A3306 27.036 28.463 42.763 1.00 0.00 H -ATOM 9918 H2 TIP3A3306 27.537 27.081 42.400 1.00 0.00 H -ATOM 9919 O1 TIP3A3307 5.072 43.120 17.317 1.00 0.00 O -ATOM 9920 H1 TIP3A3307 5.808 42.515 17.225 1.00 0.00 H -ATOM 9921 H2 TIP3A3307 5.422 43.848 17.833 1.00 0.00 H -ATOM 9922 O1 TIP3A3308 6.234 18.754 25.895 1.00 0.00 O -ATOM 9923 H1 TIP3A3308 6.910 18.078 25.871 1.00 0.00 H -ATOM 9924 H2 TIP3A3308 6.529 19.366 26.569 1.00 0.00 H -ATOM 9925 O1 TIP3A3309 30.017 24.806 28.267 1.00 0.00 O -ATOM 9926 H1 TIP3A3309 30.969 24.715 28.275 1.00 0.00 H -ATOM 9927 H2 TIP3A3309 29.789 25.026 29.171 1.00 0.00 H -ATOM 9928 O1 TIP3A3310 41.259 27.974 37.759 1.00 0.00 O -ATOM 9929 H1 TIP3A3310 41.814 28.629 38.181 1.00 0.00 H -ATOM 9930 H2 TIP3A3310 40.728 28.472 37.138 1.00 0.00 H -ATOM 9931 O1 TIP3A3311 31.183 27.769 55.284 1.00 0.00 O -ATOM 9932 H1 TIP3A3311 31.188 26.905 55.694 1.00 0.00 H -ATOM 9933 H2 TIP3A3311 32.101 27.941 55.074 1.00 0.00 H -ATOM 9934 O1 TIP3A3312 50.218 18.752 24.723 1.00 0.00 O -ATOM 9935 H1 TIP3A3312 51.171 18.832 24.722 1.00 0.00 H -ATOM 9936 H2 TIP3A3312 50.027 18.176 25.464 1.00 0.00 H -ATOM 9937 O1 TIP3A3313 27.412 16.514 19.179 1.00 0.00 O -ATOM 9938 H1 TIP3A3313 28.333 16.375 19.397 1.00 0.00 H -ATOM 9939 H2 TIP3A3313 27.090 17.105 19.861 1.00 0.00 H -ATOM 9940 O1 TIP3A3314 24.679 17.247 53.854 1.00 0.00 O -ATOM 9941 H1 TIP3A3314 24.579 16.996 52.936 1.00 0.00 H -ATOM 9942 H2 TIP3A3314 24.408 16.470 54.345 1.00 0.00 H -ATOM 9943 O1 TIP3A3315 47.117 6.686 47.074 1.00 0.00 O -ATOM 9944 H1 TIP3A3315 48.053 6.652 47.268 1.00 0.00 H -ATOM 9945 H2 TIP3A3315 46.778 7.376 47.646 1.00 0.00 H -ATOM 9946 O1 TIP3A3316 44.102 15.045 6.943 1.00 0.00 O -ATOM 9947 H1 TIP3A3316 43.814 14.741 7.803 1.00 0.00 H -ATOM 9948 H2 TIP3A3316 43.291 15.223 6.467 1.00 0.00 H -ATOM 9949 O1 TIP3A3317 28.282 2.371 34.544 1.00 0.00 O -ATOM 9950 H1 TIP3A3317 28.656 1.507 34.715 1.00 0.00 H -ATOM 9951 H2 TIP3A3317 27.524 2.197 33.986 1.00 0.00 H -ATOM 9952 O1 TIP3A3318 50.449 34.531 16.255 1.00 0.00 O -ATOM 9953 H1 TIP3A3318 50.356 33.616 16.518 1.00 0.00 H -ATOM 9954 H2 TIP3A3318 51.025 34.913 16.918 1.00 0.00 H -ATOM 9955 O1 TIP3A3319 48.049 51.787 41.682 1.00 0.00 O -ATOM 9956 H1 TIP3A3319 48.043 52.704 41.954 1.00 0.00 H -ATOM 9957 H2 TIP3A3319 47.435 51.356 42.278 1.00 0.00 H -ATOM 9958 O1 TIP3A3320 51.438 29.802 17.002 1.00 0.00 O -ATOM 9959 H1 TIP3A3320 51.349 30.590 17.537 1.00 0.00 H -ATOM 9960 H2 TIP3A3320 50.852 29.166 17.414 1.00 0.00 H -ATOM 9961 O1 TIP3A3321 43.444 36.390 46.176 1.00 0.00 O -ATOM 9962 H1 TIP3A3321 43.400 37.272 46.543 1.00 0.00 H -ATOM 9963 H2 TIP3A3321 43.044 35.832 46.844 1.00 0.00 H -ATOM 9964 O1 TIP3A3322 18.535 6.816 51.322 1.00 0.00 O -ATOM 9965 H1 TIP3A3322 18.117 7.472 50.764 1.00 0.00 H -ATOM 9966 H2 TIP3A3322 18.074 6.001 51.120 1.00 0.00 H -ATOM 9967 O1 TIP3A3323 28.021 -0.004 23.754 1.00 0.00 O -ATOM 9968 H1 TIP3A3323 28.022 0.398 24.622 1.00 0.00 H -ATOM 9969 H2 TIP3A3323 27.224 0.325 23.338 1.00 0.00 H -ATOM 9970 O1 TIP3A3324 55.679 5.710 4.005 1.00 0.00 O -ATOM 9971 H1 TIP3A3324 56.558 6.086 4.045 1.00 0.00 H -ATOM 9972 H2 TIP3A3324 55.788 4.896 3.513 1.00 0.00 H -ATOM 9973 O1 TIP3A3325 44.389 44.924 50.010 1.00 0.00 O -ATOM 9974 H1 TIP3A3325 45.262 45.258 50.210 1.00 0.00 H -ATOM 9975 H2 TIP3A3325 43.841 45.236 50.731 1.00 0.00 H -ATOM 9976 O1 TIP3A3326 12.408 16.873 5.771 1.00 0.00 O -ATOM 9977 H1 TIP3A3326 11.682 16.940 5.152 1.00 0.00 H -ATOM 9978 H2 TIP3A3326 13.113 17.383 5.370 1.00 0.00 H -ATOM 9979 O1 TIP3A3327 47.909 17.602 5.036 1.00 0.00 O -ATOM 9980 H1 TIP3A3327 48.547 17.044 4.592 1.00 0.00 H -ATOM 9981 H2 TIP3A3327 48.404 18.019 5.742 1.00 0.00 H -ATOM 9982 O1 TIP3A3328 32.155 0.394 39.982 1.00 0.00 O -ATOM 9983 H1 TIP3A3328 31.492 0.115 40.612 1.00 0.00 H -ATOM 9984 H2 TIP3A3328 31.672 0.519 39.165 1.00 0.00 H -ATOM 9985 O1 TIP3A3329 22.199 38.932 51.023 1.00 0.00 O -ATOM 9986 H1 TIP3A3329 23.118 39.192 50.967 1.00 0.00 H -ATOM 9987 H2 TIP3A3329 21.817 39.535 51.661 1.00 0.00 H -ATOM 9988 O1 TIP3A3330 45.506 32.526 54.078 1.00 0.00 O -ATOM 9989 H1 TIP3A3330 45.840 33.258 54.595 1.00 0.00 H -ATOM 9990 H2 TIP3A3330 44.908 32.067 54.669 1.00 0.00 H -ATOM 9991 O1 TIP3A3331 51.451 33.829 24.297 1.00 0.00 O -ATOM 9992 H1 TIP3A3331 52.041 33.126 24.565 1.00 0.00 H -ATOM 9993 H2 TIP3A3331 50.955 33.461 23.565 1.00 0.00 H -ATOM 9994 O1 TIP3A3332 0.906 6.987 52.851 1.00 0.00 O -ATOM 9995 H1 TIP3A3332 -0.000 7.240 52.677 1.00 0.00 H -ATOM 9996 H2 TIP3A3332 1.086 7.330 53.727 1.00 0.00 H -ATOM 9997 O1 TIP3A3333 20.511 55.648 50.442 1.00 0.00 O -ATOM 9998 H1 TIP3A3333 21.201 55.705 51.102 1.00 0.00 H -ATOM 9999 H2 TIP3A3333 20.644 54.794 50.029 1.00 0.00 H -ATOM 10000 O1 TIP3A3334 9.479 46.106 58.002 1.00 0.00 O -ATOM 10001 H1 TIP3A3334 10.369 45.794 57.838 1.00 0.00 H -ATOM 10002 H2 TIP3A3334 9.322 46.756 57.317 1.00 0.00 H -ATOM 10003 O1 TIP3A3335 1.984 7.042 20.229 1.00 0.00 O -ATOM 10004 H1 TIP3A3335 2.939 7.074 20.268 1.00 0.00 H -ATOM 10005 H2 TIP3A3335 1.696 7.500 21.020 1.00 0.00 H -ATOM 10006 O1 TIP3A3336 9.790 20.699 55.884 1.00 0.00 O -ATOM 10007 H1 TIP3A3336 9.544 19.775 55.873 1.00 0.00 H -ATOM 10008 H2 TIP3A3336 9.123 21.132 55.351 1.00 0.00 H -ATOM 10009 O1 TIP3A3337 26.379 43.174 9.718 1.00 0.00 O -ATOM 10010 H1 TIP3A3337 26.799 42.390 10.071 1.00 0.00 H -ATOM 10011 H2 TIP3A3337 25.976 42.882 8.900 1.00 0.00 H -ATOM 10012 O1 TIP3A3338 41.846 46.431 1.580 1.00 0.00 O -ATOM 10013 H1 TIP3A3338 42.180 45.538 1.500 1.00 0.00 H -ATOM 10014 H2 TIP3A3338 42.403 46.837 2.245 1.00 0.00 H -ATOM 10015 O1 TIP3A3339 10.508 2.196 46.169 1.00 0.00 O -ATOM 10016 H1 TIP3A3339 10.563 1.358 46.627 1.00 0.00 H -ATOM 10017 H2 TIP3A3339 9.808 2.074 45.527 1.00 0.00 H -ATOM 10018 O1 TIP3A3340 28.155 55.022 42.622 1.00 0.00 O -ATOM 10019 H1 TIP3A3340 27.918 55.943 42.721 1.00 0.00 H -ATOM 10020 H2 TIP3A3340 29.092 55.034 42.428 1.00 0.00 H -ATOM 10021 O1 TIP3A3341 15.681 31.219 21.981 1.00 0.00 O -ATOM 10022 H1 TIP3A3341 15.389 32.096 22.228 1.00 0.00 H -ATOM 10023 H2 TIP3A3341 16.238 31.358 21.214 1.00 0.00 H -ATOM 10024 O1 TIP3A3342 25.525 1.741 32.056 1.00 0.00 O -ATOM 10025 H1 TIP3A3342 25.309 1.488 32.953 1.00 0.00 H -ATOM 10026 H2 TIP3A3342 25.621 2.694 32.091 1.00 0.00 H -ATOM 10027 O1 TIP3A3343 33.232 43.851 20.351 1.00 0.00 O -ATOM 10028 H1 TIP3A3343 33.895 43.162 20.369 1.00 0.00 H -ATOM 10029 H2 TIP3A3343 32.843 43.834 21.226 1.00 0.00 H -ATOM 10030 O1 TIP3A3344 43.948 8.147 40.798 1.00 0.00 O -ATOM 10031 H1 TIP3A3344 44.447 8.781 40.284 1.00 0.00 H -ATOM 10032 H2 TIP3A3344 44.538 7.398 40.893 1.00 0.00 H -ATOM 10033 O1 TIP3A3345 34.994 41.142 22.570 1.00 0.00 O -ATOM 10034 H1 TIP3A3345 34.921 41.993 22.139 1.00 0.00 H -ATOM 10035 H2 TIP3A3345 34.173 40.695 22.361 1.00 0.00 H -ATOM 10036 O1 TIP3A3346 30.676 53.057 48.249 1.00 0.00 O -ATOM 10037 H1 TIP3A3346 29.796 53.198 48.597 1.00 0.00 H -ATOM 10038 H2 TIP3A3346 30.717 53.610 47.467 1.00 0.00 H -ATOM 10039 O1 TIP3A3347 28.818 35.742 27.912 1.00 0.00 O -ATOM 10040 H1 TIP3A3347 28.939 34.796 27.839 1.00 0.00 H -ATOM 10041 H2 TIP3A3347 29.353 35.995 28.665 1.00 0.00 H -ATOM 10042 O1 TIP3A3348 27.965 44.579 26.141 1.00 0.00 O -ATOM 10043 H1 TIP3A3348 27.858 45.528 26.076 1.00 0.00 H -ATOM 10044 H2 TIP3A3348 28.605 44.363 25.462 1.00 0.00 H -ATOM 10045 O1 TIP3A3349 13.351 0.131 46.047 1.00 0.00 O -ATOM 10046 H1 TIP3A3349 13.534 1.058 46.196 1.00 0.00 H -ATOM 10047 H2 TIP3A3349 12.447 0.015 46.341 1.00 0.00 H -ATOM 10048 O1 TIP3A3350 18.375 33.250 51.092 1.00 0.00 O -ATOM 10049 H1 TIP3A3350 19.055 32.967 51.702 1.00 0.00 H -ATOM 10050 H2 TIP3A3350 18.621 34.145 50.857 1.00 0.00 H -ATOM 10051 O1 TIP3A3351 4.312 20.681 43.173 1.00 0.00 O -ATOM 10052 H1 TIP3A3351 3.650 20.039 43.431 1.00 0.00 H -ATOM 10053 H2 TIP3A3351 5.110 20.393 43.617 1.00 0.00 H -ATOM 10054 O1 TIP3A3352 19.478 27.945 8.371 1.00 0.00 O -ATOM 10055 H1 TIP3A3352 19.503 28.046 7.420 1.00 0.00 H -ATOM 10056 H2 TIP3A3352 20.029 27.182 8.545 1.00 0.00 H -ATOM 10057 O1 TIP3A3353 56.194 30.813 2.956 1.00 0.00 O -ATOM 10058 H1 TIP3A3353 56.829 31.414 2.569 1.00 0.00 H -ATOM 10059 H2 TIP3A3353 55.502 31.381 3.297 1.00 0.00 H -ATOM 10060 O1 TIP3A3354 19.103 13.159 10.972 1.00 0.00 O -ATOM 10061 H1 TIP3A3354 19.268 13.451 10.076 1.00 0.00 H -ATOM 10062 H2 TIP3A3354 18.655 12.318 10.872 1.00 0.00 H -ATOM 10063 O1 TIP3A3355 35.670 57.628 31.689 1.00 0.00 O -ATOM 10064 H1 TIP3A3355 35.019 57.958 31.071 1.00 0.00 H -ATOM 10065 H2 TIP3A3355 35.452 56.701 31.796 1.00 0.00 H -ATOM 10066 O1 TIP3A3356 33.527 40.292 49.859 1.00 0.00 O -ATOM 10067 H1 TIP3A3356 33.916 41.165 49.841 1.00 0.00 H -ATOM 10068 H2 TIP3A3356 33.615 40.008 50.770 1.00 0.00 H -ATOM 10069 O1 TIP3A3357 19.485 47.763 13.225 1.00 0.00 O -ATOM 10070 H1 TIP3A3357 20.424 47.948 13.223 1.00 0.00 H -ATOM 10071 H2 TIP3A3357 19.122 48.372 13.869 1.00 0.00 H -ATOM 10072 O1 TIP3A3358 0.741 36.131 38.220 1.00 0.00 O -ATOM 10073 H1 TIP3A3358 1.226 36.672 38.842 1.00 0.00 H -ATOM 10074 H2 TIP3A3358 1.018 36.448 37.360 1.00 0.00 H -ATOM 10075 O1 TIP3A3359 33.419 46.727 16.830 1.00 0.00 O -ATOM 10076 H1 TIP3A3359 33.011 46.842 17.688 1.00 0.00 H -ATOM 10077 H2 TIP3A3359 34.102 47.399 16.797 1.00 0.00 H -ATOM 10078 O1 TIP3A3360 15.909 51.712 33.778 1.00 0.00 O -ATOM 10079 H1 TIP3A3360 15.989 52.665 33.769 1.00 0.00 H -ATOM 10080 H2 TIP3A3360 15.167 51.539 34.358 1.00 0.00 H -ATOM 10081 O1 TIP3A3361 10.478 2.502 28.987 1.00 0.00 O -ATOM 10082 H1 TIP3A3361 9.872 3.243 29.016 1.00 0.00 H -ATOM 10083 H2 TIP3A3361 10.082 1.893 28.364 1.00 0.00 H -ATOM 10084 O1 TIP3A3362 50.128 8.698 15.231 1.00 0.00 O -ATOM 10085 H1 TIP3A3362 49.364 9.014 14.750 1.00 0.00 H -ATOM 10086 H2 TIP3A3362 50.649 8.234 14.575 1.00 0.00 H -ATOM 10087 O1 TIP3A3363 30.050 18.388 33.887 1.00 0.00 O -ATOM 10088 H1 TIP3A3363 30.315 19.092 34.477 1.00 0.00 H -ATOM 10089 H2 TIP3A3363 29.882 18.824 33.051 1.00 0.00 H -ATOM 10090 O1 TIP3A3364 41.590 14.668 37.073 1.00 0.00 O -ATOM 10091 H1 TIP3A3364 40.646 14.814 37.023 1.00 0.00 H -ATOM 10092 H2 TIP3A3364 41.976 15.504 36.808 1.00 0.00 H -ATOM 10093 O1 TIP3A3365 1.843 51.748 35.431 1.00 0.00 O -ATOM 10094 H1 TIP3A3365 1.487 50.940 35.063 1.00 0.00 H -ATOM 10095 H2 TIP3A3365 2.793 51.640 35.372 1.00 0.00 H -ATOM 10096 O1 TIP3A3366 48.348 44.102 37.837 1.00 0.00 O -ATOM 10097 H1 TIP3A3366 47.595 43.603 38.150 1.00 0.00 H -ATOM 10098 H2 TIP3A3366 48.915 43.449 37.426 1.00 0.00 H -ATOM 10099 O1 TIP3A3367 45.371 8.629 15.990 1.00 0.00 O -ATOM 10100 H1 TIP3A3367 44.490 8.306 16.176 1.00 0.00 H -ATOM 10101 H2 TIP3A3367 45.331 8.923 15.079 1.00 0.00 H -ATOM 10102 O1 TIP3A3368 1.178 58.001 25.872 1.00 0.00 O -ATOM 10103 H1 TIP3A3368 1.856 57.341 25.730 1.00 0.00 H -ATOM 10104 H2 TIP3A3368 0.357 57.545 25.687 1.00 0.00 H -ATOM 10105 O1 TIP3A3369 15.791 11.767 57.840 1.00 0.00 O -ATOM 10106 H1 TIP3A3369 15.664 11.775 56.892 1.00 0.00 H -ATOM 10107 H2 TIP3A3369 16.453 12.440 58.000 1.00 0.00 H -ATOM 10108 O1 TIP3A3370 24.835 37.423 12.155 1.00 0.00 O -ATOM 10109 H1 TIP3A3370 24.076 37.659 11.622 1.00 0.00 H -ATOM 10110 H2 TIP3A3370 25.046 36.528 11.890 1.00 0.00 H -ATOM 10111 O1 TIP3A3371 46.970 28.346 25.647 1.00 0.00 O -ATOM 10112 H1 TIP3A3371 47.429 27.508 25.675 1.00 0.00 H -ATOM 10113 H2 TIP3A3371 47.436 28.896 26.278 1.00 0.00 H -ATOM 10114 O1 TIP3A3372 13.393 35.808 51.091 1.00 0.00 O -ATOM 10115 H1 TIP3A3372 13.597 35.823 50.157 1.00 0.00 H -ATOM 10116 H2 TIP3A3372 12.992 34.950 51.236 1.00 0.00 H -ATOM 10117 O1 TIP3A3373 1.549 20.763 6.815 1.00 0.00 O -ATOM 10118 H1 TIP3A3373 2.439 21.104 6.901 1.00 0.00 H -ATOM 10119 H2 TIP3A3373 1.662 19.892 6.433 1.00 0.00 H -ATOM 10120 O1 TIP3A3374 4.597 23.416 38.658 1.00 0.00 O -ATOM 10121 H1 TIP3A3374 4.091 22.646 38.914 1.00 0.00 H -ATOM 10122 H2 TIP3A3374 4.118 23.782 37.914 1.00 0.00 H -ATOM 10123 O1 TIP3A3375 49.470 32.311 5.227 1.00 0.00 O -ATOM 10124 H1 TIP3A3375 49.860 31.437 5.223 1.00 0.00 H -ATOM 10125 H2 TIP3A3375 48.771 32.265 4.574 1.00 0.00 H -ATOM 10126 O1 TIP3A3376 53.925 30.157 15.286 1.00 0.00 O -ATOM 10127 H1 TIP3A3376 53.963 30.680 14.486 1.00 0.00 H -ATOM 10128 H2 TIP3A3376 53.377 30.668 15.882 1.00 0.00 H -ATOM 10129 O1 TIP3A3377 55.833 39.619 48.405 1.00 0.00 O -ATOM 10130 H1 TIP3A3377 55.071 40.192 48.327 1.00 0.00 H -ATOM 10131 H2 TIP3A3377 55.544 38.912 48.984 1.00 0.00 H -ATOM 10132 O1 TIP3A3378 12.604 38.051 19.353 1.00 0.00 O -ATOM 10133 H1 TIP3A3378 12.857 37.226 19.767 1.00 0.00 H -ATOM 10134 H2 TIP3A3378 13.431 38.511 19.209 1.00 0.00 H -ATOM 10135 O1 TIP3A3379 24.998 28.315 25.253 1.00 0.00 O -ATOM 10136 H1 TIP3A3379 24.505 29.132 25.190 1.00 0.00 H -ATOM 10137 H2 TIP3A3379 25.693 28.403 24.600 1.00 0.00 H -ATOM 10138 O1 TIP3A3380 9.721 16.373 53.977 1.00 0.00 O -ATOM 10139 H1 TIP3A3380 9.631 15.491 54.335 1.00 0.00 H -ATOM 10140 H2 TIP3A3380 10.571 16.677 54.297 1.00 0.00 H -ATOM 10141 O1 TIP3A3381 54.133 34.701 46.394 1.00 0.00 O -ATOM 10142 H1 TIP3A3381 54.465 33.817 46.244 1.00 0.00 H -ATOM 10143 H2 TIP3A3381 54.828 35.139 46.886 1.00 0.00 H -ATOM 10144 O1 TIP3A3382 2.056 27.364 51.323 1.00 0.00 O -ATOM 10145 H1 TIP3A3382 2.515 26.668 50.854 1.00 0.00 H -ATOM 10146 H2 TIP3A3382 2.012 27.055 52.229 1.00 0.00 H -ATOM 10147 O1 TIP3A3383 57.424 22.229 36.722 1.00 0.00 O -ATOM 10148 H1 TIP3A3383 56.588 21.860 36.439 1.00 0.00 H -ATOM 10149 H2 TIP3A3383 57.853 22.503 35.911 1.00 0.00 H -ATOM 10150 O1 TIP3A3384 25.897 9.017 50.345 1.00 0.00 O -ATOM 10151 H1 TIP3A3384 25.829 9.881 50.749 1.00 0.00 H -ATOM 10152 H2 TIP3A3384 26.314 8.472 51.013 1.00 0.00 H -ATOM 10153 O1 TIP3A3385 48.182 45.978 21.442 1.00 0.00 O -ATOM 10154 H1 TIP3A3385 47.736 46.748 21.090 1.00 0.00 H -ATOM 10155 H2 TIP3A3385 48.757 46.325 22.124 1.00 0.00 H -ATOM 10156 O1 TIP3A3386 52.965 26.066 57.786 1.00 0.00 O -ATOM 10157 H1 TIP3A3386 53.437 25.264 58.009 1.00 0.00 H -ATOM 10158 H2 TIP3A3386 52.053 25.878 58.007 1.00 0.00 H -ATOM 10159 O1 TIP3A3387 50.901 32.814 49.773 1.00 0.00 O -ATOM 10160 H1 TIP3A3387 50.274 32.166 50.092 1.00 0.00 H -ATOM 10161 H2 TIP3A3387 50.444 33.259 49.058 1.00 0.00 H -ATOM 10162 O1 TIP3A3388 30.913 0.660 23.300 1.00 0.00 O -ATOM 10163 H1 TIP3A3388 31.388 1.280 23.852 1.00 0.00 H -ATOM 10164 H2 TIP3A3388 30.582 -0.000 23.909 1.00 0.00 H -ATOM 10165 O1 TIP3A3389 6.676 9.567 51.758 1.00 0.00 O -ATOM 10166 H1 TIP3A3389 7.256 9.179 52.413 1.00 0.00 H -ATOM 10167 H2 TIP3A3389 6.377 8.824 51.233 1.00 0.00 H -ATOM 10168 O1 TIP3A3390 26.718 3.204 1.999 1.00 0.00 O -ATOM 10169 H1 TIP3A3390 26.775 2.370 2.464 1.00 0.00 H -ATOM 10170 H2 TIP3A3390 26.435 2.967 1.115 1.00 0.00 H -ATOM 10171 O1 TIP3A3391 25.131 32.041 41.837 1.00 0.00 O -ATOM 10172 H1 TIP3A3391 25.079 32.950 42.130 1.00 0.00 H -ATOM 10173 H2 TIP3A3391 24.657 31.546 42.506 1.00 0.00 H -ATOM 10174 O1 TIP3A3392 14.852 51.923 55.063 1.00 0.00 O -ATOM 10175 H1 TIP3A3392 15.176 51.140 54.621 1.00 0.00 H -ATOM 10176 H2 TIP3A3392 15.554 52.166 55.667 1.00 0.00 H -ATOM 10177 O1 TIP3A3393 3.566 24.481 52.092 1.00 0.00 O -ATOM 10178 H1 TIP3A3393 4.004 23.631 52.067 1.00 0.00 H -ATOM 10179 H2 TIP3A3393 2.783 24.364 51.553 1.00 0.00 H -ATOM 10180 O1 TIP3A3394 51.800 53.251 30.619 1.00 0.00 O -ATOM 10181 H1 TIP3A3394 52.080 52.917 31.470 1.00 0.00 H -ATOM 10182 H2 TIP3A3394 50.857 53.389 30.713 1.00 0.00 H -ATOM 10183 O1 TIP3A3395 20.869 13.116 25.999 1.00 0.00 O -ATOM 10184 H1 TIP3A3395 21.408 12.587 25.411 1.00 0.00 H -ATOM 10185 H2 TIP3A3395 20.042 13.229 25.530 1.00 0.00 H -ATOM 10186 O1 TIP3A3396 7.407 8.154 21.973 1.00 0.00 O -ATOM 10187 H1 TIP3A3396 7.857 8.251 22.812 1.00 0.00 H -ATOM 10188 H2 TIP3A3396 8.058 7.754 21.396 1.00 0.00 H -ATOM 10189 O1 TIP3A3397 24.550 36.104 4.854 1.00 0.00 O -ATOM 10190 H1 TIP3A3397 23.721 35.918 5.293 1.00 0.00 H -ATOM 10191 H2 TIP3A3397 24.624 35.425 4.182 1.00 0.00 H -ATOM 10192 O1 TIP3A3398 54.118 23.856 3.826 1.00 0.00 O -ATOM 10193 H1 TIP3A3398 54.767 24.147 3.186 1.00 0.00 H -ATOM 10194 H2 TIP3A3398 54.223 24.457 4.565 1.00 0.00 H -ATOM 10195 O1 TIP3A3399 12.860 30.110 23.628 1.00 0.00 O -ATOM 10196 H1 TIP3A3399 13.449 29.360 23.704 1.00 0.00 H -ATOM 10197 H2 TIP3A3399 12.220 29.847 22.966 1.00 0.00 H -ATOM 10198 O1 TIP3A3400 56.980 36.531 18.197 1.00 0.00 O -ATOM 10199 H1 TIP3A3400 56.760 35.731 17.720 1.00 0.00 H -ATOM 10200 H2 TIP3A3400 57.884 36.399 18.485 1.00 0.00 H -ATOM 10201 O1 TIP3A3401 50.633 1.606 19.666 1.00 0.00 O -ATOM 10202 H1 TIP3A3401 50.094 1.311 20.398 1.00 0.00 H -ATOM 10203 H2 TIP3A3401 51.369 0.994 19.647 1.00 0.00 H -ATOM 10204 O1 TIP3A3402 23.741 30.218 15.381 1.00 0.00 O -ATOM 10205 H1 TIP3A3402 23.861 31.160 15.261 1.00 0.00 H -ATOM 10206 H2 TIP3A3402 22.806 30.074 15.232 1.00 0.00 H -ATOM 10207 O1 TIP3A3403 49.302 17.452 53.314 1.00 0.00 O -ATOM 10208 H1 TIP3A3403 48.382 17.591 53.538 1.00 0.00 H -ATOM 10209 H2 TIP3A3403 49.319 17.454 52.357 1.00 0.00 H -ATOM 10210 O1 TIP3A3404 43.973 45.429 27.545 1.00 0.00 O -ATOM 10211 H1 TIP3A3404 44.869 45.471 27.877 1.00 0.00 H -ATOM 10212 H2 TIP3A3404 43.424 45.616 28.308 1.00 0.00 H -ATOM 10213 O1 TIP3A3405 49.399 14.236 48.463 1.00 0.00 O -ATOM 10214 H1 TIP3A3405 49.268 14.892 49.147 1.00 0.00 H -ATOM 10215 H2 TIP3A3405 49.818 14.716 47.747 1.00 0.00 H -ATOM 10216 O1 TIP3A3406 45.049 33.466 47.873 1.00 0.00 O -ATOM 10217 H1 TIP3A3406 45.154 34.385 48.115 1.00 0.00 H -ATOM 10218 H2 TIP3A3406 44.626 33.063 48.632 1.00 0.00 H -ATOM 10219 O1 TIP3A3407 2.939 29.174 17.947 1.00 0.00 O -ATOM 10220 H1 TIP3A3407 3.048 28.383 17.420 1.00 0.00 H -ATOM 10221 H2 TIP3A3407 3.393 28.981 18.768 1.00 0.00 H -ATOM 10222 O1 TIP3A3408 52.120 54.682 17.219 1.00 0.00 O -ATOM 10223 H1 TIP3A3408 51.931 55.099 16.380 1.00 0.00 H -ATOM 10224 H2 TIP3A3408 51.285 54.298 17.490 1.00 0.00 H -ATOM 10225 O1 TIP3A3409 23.198 50.408 51.243 1.00 0.00 O -ATOM 10226 H1 TIP3A3409 24.144 50.273 51.287 1.00 0.00 H -ATOM 10227 H2 TIP3A3409 23.082 51.076 50.567 1.00 0.00 H -ATOM 10228 O1 TIP3A3410 54.587 40.930 52.438 1.00 0.00 O -ATOM 10229 H1 TIP3A3410 54.924 40.111 52.076 1.00 0.00 H -ATOM 10230 H2 TIP3A3410 55.067 41.046 53.258 1.00 0.00 H -ATOM 10231 O1 TIP3A3411 29.072 45.622 31.101 1.00 0.00 O -ATOM 10232 H1 TIP3A3411 28.703 44.743 31.024 1.00 0.00 H -ATOM 10233 H2 TIP3A3411 28.778 46.076 30.311 1.00 0.00 H -ATOM 10234 O1 TIP3A3412 36.092 35.333 30.484 1.00 0.00 O -ATOM 10235 H1 TIP3A3412 35.651 36.108 30.138 1.00 0.00 H -ATOM 10236 H2 TIP3A3412 35.680 34.598 30.029 1.00 0.00 H -ATOM 10237 O1 TIP3A3413 18.329 51.948 33.815 1.00 0.00 O -ATOM 10238 H1 TIP3A3413 17.983 51.421 33.095 1.00 0.00 H -ATOM 10239 H2 TIP3A3413 18.162 51.424 34.599 1.00 0.00 H -ATOM 10240 O1 TIP3A3414 20.861 28.133 36.049 1.00 0.00 O -ATOM 10241 H1 TIP3A3414 21.065 27.204 35.950 1.00 0.00 H -ATOM 10242 H2 TIP3A3414 21.294 28.389 36.864 1.00 0.00 H -ATOM 10243 O1 TIP3A3415 50.768 25.192 8.570 1.00 0.00 O -ATOM 10244 H1 TIP3A3415 49.840 25.138 8.346 1.00 0.00 H -ATOM 10245 H2 TIP3A3415 51.207 24.665 7.901 1.00 0.00 H -ATOM 10246 O1 TIP3A3416 28.271 10.976 33.969 1.00 0.00 O -ATOM 10247 H1 TIP3A3416 28.294 11.890 34.251 1.00 0.00 H -ATOM 10248 H2 TIP3A3416 28.814 10.955 33.180 1.00 0.00 H -ATOM 10249 O1 TIP3A3417 54.997 44.833 53.274 1.00 0.00 O -ATOM 10250 H1 TIP3A3417 54.268 44.216 53.213 1.00 0.00 H -ATOM 10251 H2 TIP3A3417 55.671 44.360 53.762 1.00 0.00 H -ATOM 10252 O1 TIP3A3418 43.011 19.852 29.055 1.00 0.00 O -ATOM 10253 H1 TIP3A3418 42.827 20.752 28.788 1.00 0.00 H -ATOM 10254 H2 TIP3A3418 42.326 19.646 29.693 1.00 0.00 H -ATOM 10255 O1 TIP3A3419 36.639 44.151 5.513 1.00 0.00 O -ATOM 10256 H1 TIP3A3419 35.966 44.814 5.665 1.00 0.00 H -ATOM 10257 H2 TIP3A3419 37.353 44.626 5.086 1.00 0.00 H -ATOM 10258 O1 TIP3A3420 15.070 37.972 17.173 1.00 0.00 O -ATOM 10259 H1 TIP3A3420 14.401 38.096 16.500 1.00 0.00 H -ATOM 10260 H2 TIP3A3420 15.728 37.413 16.758 1.00 0.00 H -ATOM 10261 O1 TIP3A3421 15.435 50.404 3.190 1.00 0.00 O -ATOM 10262 H1 TIP3A3421 15.851 49.543 3.191 1.00 0.00 H -ATOM 10263 H2 TIP3A3421 15.077 50.498 2.306 1.00 0.00 H -ATOM 10264 O1 TIP3A3422 36.134 9.516 29.744 1.00 0.00 O -ATOM 10265 H1 TIP3A3422 35.339 9.360 30.253 1.00 0.00 H -ATOM 10266 H2 TIP3A3422 36.367 10.425 29.937 1.00 0.00 H -ATOM 10267 O1 TIP3A3423 9.815 8.408 44.603 1.00 0.00 O -ATOM 10268 H1 TIP3A3423 10.420 9.148 44.638 1.00 0.00 H -ATOM 10269 H2 TIP3A3423 9.703 8.234 43.668 1.00 0.00 H -ATOM 10270 O1 TIP3A3424 28.955 51.277 33.525 1.00 0.00 O -ATOM 10271 H1 TIP3A3424 28.368 51.096 34.259 1.00 0.00 H -ATOM 10272 H2 TIP3A3424 28.958 50.466 33.015 1.00 0.00 H -ATOM 10273 O1 TIP3A3425 43.062 45.675 47.988 1.00 0.00 O -ATOM 10274 H1 TIP3A3425 43.931 45.296 47.860 1.00 0.00 H -ATOM 10275 H2 TIP3A3425 42.542 45.336 47.259 1.00 0.00 H -ATOM 10276 O1 TIP3A3426 42.518 0.165 49.670 1.00 0.00 O -ATOM 10277 H1 TIP3A3426 41.851 0.847 49.599 1.00 0.00 H -ATOM 10278 H2 TIP3A3426 43.186 0.414 49.030 1.00 0.00 H -ATOM 10279 O1 TIP3A3427 36.239 16.622 32.294 1.00 0.00 O -ATOM 10280 H1 TIP3A3427 36.064 15.681 32.303 1.00 0.00 H -ATOM 10281 H2 TIP3A3427 36.089 16.886 31.386 1.00 0.00 H -ATOM 10282 O1 TIP3A3428 16.239 47.073 13.889 1.00 0.00 O -ATOM 10283 H1 TIP3A3428 16.535 47.978 13.803 1.00 0.00 H -ATOM 10284 H2 TIP3A3428 16.580 46.633 13.109 1.00 0.00 H -ATOM 10285 O1 TIP3A3429 26.395 10.087 21.596 1.00 0.00 O -ATOM 10286 H1 TIP3A3429 25.757 9.836 20.929 1.00 0.00 H -ATOM 10287 H2 TIP3A3429 25.985 10.819 22.058 1.00 0.00 H -ATOM 10288 O1 TIP3A3430 18.106 35.745 37.445 1.00 0.00 O -ATOM 10289 H1 TIP3A3430 17.846 35.063 38.063 1.00 0.00 H -ATOM 10290 H2 TIP3A3430 18.775 35.332 36.899 1.00 0.00 H -ATOM 10291 O1 TIP3A3431 11.286 40.906 15.143 1.00 0.00 O -ATOM 10292 H1 TIP3A3431 11.615 40.009 15.092 1.00 0.00 H -ATOM 10293 H2 TIP3A3431 10.629 40.960 14.448 1.00 0.00 H -ATOM 10294 O1 TIP3A3432 49.772 49.365 31.265 1.00 0.00 O -ATOM 10295 H1 TIP3A3432 50.192 50.173 31.557 1.00 0.00 H -ATOM 10296 H2 TIP3A3432 50.478 48.860 30.861 1.00 0.00 H -ATOM 10297 O1 TIP3A3433 0.655 50.244 31.464 1.00 0.00 O -ATOM 10298 H1 TIP3A3433 0.741 51.194 31.532 1.00 0.00 H -ATOM 10299 H2 TIP3A3433 -0.021 50.017 32.104 1.00 0.00 H -ATOM 10300 O1 TIP3A3434 26.915 14.350 53.746 1.00 0.00 O -ATOM 10301 H1 TIP3A3434 27.702 13.899 54.051 1.00 0.00 H -ATOM 10302 H2 TIP3A3434 27.132 15.281 53.810 1.00 0.00 H -ATOM 10303 O1 TIP3A3435 45.864 24.717 27.550 1.00 0.00 O -ATOM 10304 H1 TIP3A3435 45.734 25.658 27.662 1.00 0.00 H -ATOM 10305 H2 TIP3A3435 45.557 24.333 28.371 1.00 0.00 H -ATOM 10306 O1 TIP3A3436 10.435 14.337 2.791 1.00 0.00 O -ATOM 10307 H1 TIP3A3436 10.979 13.815 2.202 1.00 0.00 H -ATOM 10308 H2 TIP3A3436 10.825 15.212 2.765 1.00 0.00 H -ATOM 10309 O1 TIP3A3437 39.809 10.157 52.057 1.00 0.00 O -ATOM 10310 H1 TIP3A3437 40.330 10.956 52.132 1.00 0.00 H -ATOM 10311 H2 TIP3A3437 39.051 10.312 52.622 1.00 0.00 H -ATOM 10312 O1 TIP3A3438 20.920 49.206 50.850 1.00 0.00 O -ATOM 10313 H1 TIP3A3438 19.995 48.989 50.740 1.00 0.00 H -ATOM 10314 H2 TIP3A3438 21.273 49.208 49.960 1.00 0.00 H -ATOM 10315 O1 TIP3A3439 3.045 51.730 38.102 1.00 0.00 O -ATOM 10316 H1 TIP3A3439 3.773 52.348 38.053 1.00 0.00 H -ATOM 10317 H2 TIP3A3439 2.478 52.080 38.790 1.00 0.00 H -ATOM 10318 O1 TIP3A3440 54.648 13.278 47.744 1.00 0.00 O -ATOM 10319 H1 TIP3A3440 53.775 13.458 48.093 1.00 0.00 H -ATOM 10320 H2 TIP3A3440 54.729 13.860 46.988 1.00 0.00 H -ATOM 10321 O1 TIP3A3441 23.544 6.889 34.768 1.00 0.00 O -ATOM 10322 H1 TIP3A3441 23.026 7.559 34.323 1.00 0.00 H -ATOM 10323 H2 TIP3A3441 24.444 7.057 34.488 1.00 0.00 H -ATOM 10324 O1 TIP3A3442 2.542 37.395 5.913 1.00 0.00 O -ATOM 10325 H1 TIP3A3442 3.005 36.740 6.435 1.00 0.00 H -ATOM 10326 H2 TIP3A3442 2.971 38.223 6.132 1.00 0.00 H -ATOM 10327 O1 TIP3A3443 48.885 47.755 0.568 1.00 0.00 O -ATOM 10328 H1 TIP3A3443 49.208 48.652 0.486 1.00 0.00 H -ATOM 10329 H2 TIP3A3443 48.085 47.738 0.043 1.00 0.00 H -ATOM 10330 O1 TIP3A3444 45.915 44.098 32.632 1.00 0.00 O -ATOM 10331 H1 TIP3A3444 45.483 43.282 32.885 1.00 0.00 H -ATOM 10332 H2 TIP3A3444 45.294 44.784 32.878 1.00 0.00 H -ATOM 10333 O1 TIP3A3445 2.848 2.555 14.262 1.00 0.00 O -ATOM 10334 H1 TIP3A3445 2.320 2.128 14.937 1.00 0.00 H -ATOM 10335 H2 TIP3A3445 2.227 2.752 13.561 1.00 0.00 H -ATOM 10336 O1 TIP3A3446 38.874 54.807 12.499 1.00 0.00 O -ATOM 10337 H1 TIP3A3446 37.943 54.967 12.648 1.00 0.00 H -ATOM 10338 H2 TIP3A3446 39.166 55.553 11.975 1.00 0.00 H -ATOM 10339 O1 TIP3A3447 23.297 48.453 29.694 1.00 0.00 O -ATOM 10340 H1 TIP3A3447 23.940 47.747 29.626 1.00 0.00 H -ATOM 10341 H2 TIP3A3447 23.788 49.246 29.479 1.00 0.00 H -ATOM 10342 O1 TIP3A3448 36.308 16.347 5.815 1.00 0.00 O -ATOM 10343 H1 TIP3A3448 35.569 15.906 5.398 1.00 0.00 H -ATOM 10344 H2 TIP3A3448 36.749 15.658 6.313 1.00 0.00 H -ATOM 10345 O1 TIP3A3449 12.301 57.059 21.787 1.00 0.00 O -ATOM 10346 H1 TIP3A3449 11.620 57.145 21.121 1.00 0.00 H -ATOM 10347 H2 TIP3A3449 12.248 56.145 22.068 1.00 0.00 H -ATOM 10348 O1 TIP3A3450 11.709 4.446 36.961 1.00 0.00 O -ATOM 10349 H1 TIP3A3450 11.335 3.779 36.387 1.00 0.00 H -ATOM 10350 H2 TIP3A3450 11.511 5.276 36.526 1.00 0.00 H -ATOM 10351 O1 TIP3A3451 31.574 28.402 30.784 1.00 0.00 O -ATOM 10352 H1 TIP3A3451 31.490 29.355 30.769 1.00 0.00 H -ATOM 10353 H2 TIP3A3451 32.251 28.210 30.134 1.00 0.00 H -ATOM 10354 O1 TIP3A3452 56.208 51.455 40.926 1.00 0.00 O -ATOM 10355 H1 TIP3A3452 55.447 50.875 40.949 1.00 0.00 H -ATOM 10356 H2 TIP3A3452 56.748 51.172 41.665 1.00 0.00 H -ATOM 10357 O1 TIP3A3453 51.536 22.095 1.197 1.00 0.00 O -ATOM 10358 H1 TIP3A3453 50.846 22.753 1.279 1.00 0.00 H -ATOM 10359 H2 TIP3A3453 51.580 21.684 2.061 1.00 0.00 H -ATOM 10360 O1 TIP3A3454 28.912 41.393 40.499 1.00 0.00 O -ATOM 10361 H1 TIP3A3454 29.532 41.438 41.226 1.00 0.00 H -ATOM 10362 H2 TIP3A3454 28.715 40.460 40.410 1.00 0.00 H -ATOM 10363 O1 TIP3A3455 7.772 27.524 7.610 1.00 0.00 O -ATOM 10364 H1 TIP3A3455 7.333 26.776 8.013 1.00 0.00 H -ATOM 10365 H2 TIP3A3455 7.122 28.226 7.634 1.00 0.00 H -ATOM 10366 O1 TIP3A3456 8.597 12.009 31.627 1.00 0.00 O -ATOM 10367 H1 TIP3A3456 7.984 12.193 30.916 1.00 0.00 H -ATOM 10368 H2 TIP3A3456 9.308 11.522 31.210 1.00 0.00 H -ATOM 10369 O1 TIP3A3457 18.902 3.586 1.638 1.00 0.00 O -ATOM 10370 H1 TIP3A3457 19.244 2.732 1.900 1.00 0.00 H -ATOM 10371 H2 TIP3A3457 17.955 3.511 1.753 1.00 0.00 H -ATOM 10372 O1 TIP3A3458 47.591 45.413 52.562 1.00 0.00 O -ATOM 10373 H1 TIP3A3458 47.598 44.561 52.996 1.00 0.00 H -ATOM 10374 H2 TIP3A3458 46.787 45.411 52.042 1.00 0.00 H -ATOM 10375 O1 TIP3A3459 23.579 48.974 54.860 1.00 0.00 O -ATOM 10376 H1 TIP3A3459 23.686 48.143 55.321 1.00 0.00 H -ATOM 10377 H2 TIP3A3459 23.134 48.741 54.045 1.00 0.00 H -ATOM 10378 O1 TIP3A3460 35.421 19.831 53.399 1.00 0.00 O -ATOM 10379 H1 TIP3A3460 35.904 19.903 52.577 1.00 0.00 H -ATOM 10380 H2 TIP3A3460 34.502 19.925 53.146 1.00 0.00 H -ATOM 10381 O1 TIP3A3461 27.191 12.969 28.112 1.00 0.00 O -ATOM 10382 H1 TIP3A3461 27.366 13.208 29.022 1.00 0.00 H -ATOM 10383 H2 TIP3A3461 26.501 13.572 27.834 1.00 0.00 H -ATOM 10384 O1 TIP3A3462 12.744 31.039 0.244 1.00 0.00 O -ATOM 10385 H1 TIP3A3462 12.755 31.995 0.288 1.00 0.00 H -ATOM 10386 H2 TIP3A3462 13.637 30.800 -0.005 1.00 0.00 H -ATOM 10387 O1 TIP3A3463 38.191 46.399 43.085 1.00 0.00 O -ATOM 10388 H1 TIP3A3463 38.110 45.446 43.050 1.00 0.00 H -ATOM 10389 H2 TIP3A3463 37.560 46.718 42.439 1.00 0.00 H -ATOM 10390 O1 TIP3A3464 8.484 57.400 25.945 1.00 0.00 O -ATOM 10391 H1 TIP3A3464 8.053 58.005 26.548 1.00 0.00 H -ATOM 10392 H2 TIP3A3464 9.381 57.729 25.874 1.00 0.00 H -ATOM 10393 O1 TIP3A3465 51.375 50.378 39.833 1.00 0.00 O -ATOM 10394 H1 TIP3A3465 51.267 51.201 40.308 1.00 0.00 H -ATOM 10395 H2 TIP3A3465 52.142 50.521 39.277 1.00 0.00 H -ATOM 10396 O1 TIP3A3466 51.809 55.214 0.492 1.00 0.00 O -ATOM 10397 H1 TIP3A3466 51.919 54.405 -0.007 1.00 0.00 H -ATOM 10398 H2 TIP3A3466 50.917 55.500 0.293 1.00 0.00 H -ATOM 10399 O1 TIP3A3467 23.377 27.330 16.448 1.00 0.00 O -ATOM 10400 H1 TIP3A3467 23.393 28.283 16.367 1.00 0.00 H -ATOM 10401 H2 TIP3A3467 24.085 27.029 15.877 1.00 0.00 H -ATOM 10402 O1 TIP3A3468 49.016 44.682 1.277 1.00 0.00 O -ATOM 10403 H1 TIP3A3468 49.961 44.668 1.428 1.00 0.00 H -ATOM 10404 H2 TIP3A3468 48.921 44.992 0.376 1.00 0.00 H -ATOM 10405 O1 TIP3A3469 29.561 47.193 13.581 1.00 0.00 O -ATOM 10406 H1 TIP3A3469 29.943 46.572 14.201 1.00 0.00 H -ATOM 10407 H2 TIP3A3469 30.314 47.656 13.211 1.00 0.00 H -ATOM 10408 O1 TIP3A3470 26.313 39.992 12.623 1.00 0.00 O -ATOM 10409 H1 TIP3A3470 26.566 40.242 11.735 1.00 0.00 H -ATOM 10410 H2 TIP3A3470 25.505 39.490 12.510 1.00 0.00 H -ATOM 10411 O1 TIP3A3471 47.155 2.489 28.707 1.00 0.00 O -ATOM 10412 H1 TIP3A3471 47.265 1.657 29.167 1.00 0.00 H -ATOM 10413 H2 TIP3A3471 47.523 3.143 29.302 1.00 0.00 H -ATOM 10414 O1 TIP3A3472 54.073 16.814 12.984 1.00 0.00 O -ATOM 10415 H1 TIP3A3472 53.966 17.764 12.946 1.00 0.00 H -ATOM 10416 H2 TIP3A3472 53.179 16.471 12.964 1.00 0.00 H -ATOM 10417 O1 TIP3A3473 42.643 27.808 15.034 1.00 0.00 O -ATOM 10418 H1 TIP3A3473 42.274 27.130 15.600 1.00 0.00 H -ATOM 10419 H2 TIP3A3473 43.220 27.332 14.436 1.00 0.00 H -ATOM 10420 O1 TIP3A3474 54.305 12.570 3.592 1.00 0.00 O -ATOM 10421 H1 TIP3A3474 53.416 12.924 3.559 1.00 0.00 H -ATOM 10422 H2 TIP3A3474 54.796 13.096 2.960 1.00 0.00 H -ATOM 10423 O1 TIP3A3475 47.099 50.033 48.259 1.00 0.00 O -ATOM 10424 H1 TIP3A3475 47.430 50.330 47.412 1.00 0.00 H -ATOM 10425 H2 TIP3A3475 46.578 50.768 48.584 1.00 0.00 H -ATOM 10426 O1 TIP3A3476 8.186 0.465 47.144 1.00 0.00 O -ATOM 10427 H1 TIP3A3476 8.994 -0.000 47.359 1.00 0.00 H -ATOM 10428 H2 TIP3A3476 8.167 1.206 47.750 1.00 0.00 H -ATOM 10429 O1 TIP3A3477 4.208 48.848 53.376 1.00 0.00 O -ATOM 10430 H1 TIP3A3477 3.816 49.210 52.583 1.00 0.00 H -ATOM 10431 H2 TIP3A3477 5.063 49.275 53.438 1.00 0.00 H -ATOM 10432 O1 TIP3A3478 25.850 54.951 16.993 1.00 0.00 O -ATOM 10433 H1 TIP3A3478 26.680 54.507 17.164 1.00 0.00 H -ATOM 10434 H2 TIP3A3478 25.387 54.371 16.388 1.00 0.00 H -ATOM 10435 O1 TIP3A3479 11.036 5.031 9.143 1.00 0.00 O -ATOM 10436 H1 TIP3A3479 10.977 5.321 10.052 1.00 0.00 H -ATOM 10437 H2 TIP3A3479 10.144 4.765 8.917 1.00 0.00 H -ATOM 10438 O1 TIP3A3480 12.884 21.361 39.982 1.00 0.00 O -ATOM 10439 H1 TIP3A3480 13.313 22.205 39.846 1.00 0.00 H -ATOM 10440 H2 TIP3A3480 13.049 21.153 40.902 1.00 0.00 H -ATOM 10441 O1 TIP3A3481 30.947 51.147 25.616 1.00 0.00 O -ATOM 10442 H1 TIP3A3481 31.532 51.772 25.190 1.00 0.00 H -ATOM 10443 H2 TIP3A3481 30.066 51.465 25.415 1.00 0.00 H -ATOM 10444 O1 TIP3A3482 50.398 49.998 11.081 1.00 0.00 O -ATOM 10445 H1 TIP3A3482 49.718 49.404 11.399 1.00 0.00 H -ATOM 10446 H2 TIP3A3482 51.221 49.575 11.329 1.00 0.00 H -ATOM 10447 O1 TIP3A3483 37.264 15.384 26.569 1.00 0.00 O -ATOM 10448 H1 TIP3A3483 37.914 15.026 25.965 1.00 0.00 H -ATOM 10449 H2 TIP3A3483 36.436 15.329 26.090 1.00 0.00 H -ATOM 10450 O1 TIP3A3484 1.129 38.423 14.203 1.00 0.00 O -ATOM 10451 H1 TIP3A3484 1.505 38.227 13.346 1.00 0.00 H -ATOM 10452 H2 TIP3A3484 1.870 38.729 14.727 1.00 0.00 H -ATOM 10453 O1 TIP3A3485 44.690 5.965 17.123 1.00 0.00 O -ATOM 10454 H1 TIP3A3485 45.419 6.582 17.173 1.00 0.00 H -ATOM 10455 H2 TIP3A3485 44.027 6.328 17.711 1.00 0.00 H -ATOM 10456 O1 TIP3A3486 48.894 20.646 16.476 1.00 0.00 O -ATOM 10457 H1 TIP3A3486 48.949 21.591 16.615 1.00 0.00 H -ATOM 10458 H2 TIP3A3486 48.247 20.543 15.777 1.00 0.00 H -ATOM 10459 O1 TIP3A3487 38.217 53.349 55.536 1.00 0.00 O -ATOM 10460 H1 TIP3A3487 38.078 52.603 56.118 1.00 0.00 H -ATOM 10461 H2 TIP3A3487 37.631 53.188 54.796 1.00 0.00 H -ATOM 10462 O1 TIP3A3488 16.127 11.094 2.427 1.00 0.00 O -ATOM 10463 H1 TIP3A3488 15.197 10.903 2.542 1.00 0.00 H -ATOM 10464 H2 TIP3A3488 16.577 10.396 2.905 1.00 0.00 H -ATOM 10465 O1 TIP3A3489 29.521 42.041 13.523 1.00 0.00 O -ATOM 10466 H1 TIP3A3489 28.833 42.265 12.897 1.00 0.00 H -ATOM 10467 H2 TIP3A3489 29.946 42.876 13.722 1.00 0.00 H -ATOM 10468 O1 TIP3A3490 32.315 39.851 11.823 1.00 0.00 O -ATOM 10469 H1 TIP3A3490 31.905 40.413 11.165 1.00 0.00 H -ATOM 10470 H2 TIP3A3490 32.572 39.065 11.341 1.00 0.00 H -ATOM 10471 O1 TIP3A3491 48.382 50.289 39.382 1.00 0.00 O -ATOM 10472 H1 TIP3A3491 48.473 49.359 39.177 1.00 0.00 H -ATOM 10473 H2 TIP3A3491 49.103 50.710 38.913 1.00 0.00 H -ATOM 10474 O1 TIP3A3492 17.999 19.075 16.696 1.00 0.00 O -ATOM 10475 H1 TIP3A3492 18.867 18.941 16.317 1.00 0.00 H -ATOM 10476 H2 TIP3A3492 17.490 19.481 15.994 1.00 0.00 H -ATOM 10477 O1 TIP3A3493 47.835 5.105 44.165 1.00 0.00 O -ATOM 10478 H1 TIP3A3493 47.765 5.516 45.026 1.00 0.00 H -ATOM 10479 H2 TIP3A3493 48.744 4.808 44.114 1.00 0.00 H -ATOM 10480 O1 TIP3A3494 24.096 55.392 46.470 1.00 0.00 O -ATOM 10481 H1 TIP3A3494 23.299 55.904 46.340 1.00 0.00 H -ATOM 10482 H2 TIP3A3494 24.665 55.646 45.743 1.00 0.00 H -ATOM 10483 O1 TIP3A3495 6.698 55.716 23.523 1.00 0.00 O -ATOM 10484 H1 TIP3A3495 6.498 56.651 23.541 1.00 0.00 H -ATOM 10485 H2 TIP3A3495 7.497 55.632 24.043 1.00 0.00 H -ATOM 10486 O1 TIP3A3496 48.393 38.821 48.981 1.00 0.00 O -ATOM 10487 H1 TIP3A3496 48.002 39.622 48.634 1.00 0.00 H -ATOM 10488 H2 TIP3A3496 48.484 38.249 48.218 1.00 0.00 H -ATOM 10489 O1 TIP3A3497 33.580 23.710 55.858 1.00 0.00 O -ATOM 10490 H1 TIP3A3497 32.818 23.401 55.369 1.00 0.00 H -ATOM 10491 H2 TIP3A3497 33.298 23.702 56.773 1.00 0.00 H -ATOM 10492 O1 TIP3A3498 44.031 23.816 39.305 1.00 0.00 O -ATOM 10493 H1 TIP3A3498 44.434 24.420 39.928 1.00 0.00 H -ATOM 10494 H2 TIP3A3498 43.842 23.031 39.821 1.00 0.00 H -ATOM 10495 O1 TIP3A3499 8.042 27.777 29.177 1.00 0.00 O -ATOM 10496 H1 TIP3A3499 7.893 28.715 29.296 1.00 0.00 H -ATOM 10497 H2 TIP3A3499 8.764 27.726 28.550 1.00 0.00 H -ATOM 10498 O1 TIP3A3500 12.822 4.958 58.038 1.00 0.00 O -ATOM 10499 H1 TIP3A3500 12.215 4.441 57.510 1.00 0.00 H -ATOM 10500 H2 TIP3A3500 13.681 4.572 57.862 1.00 0.00 H -ATOM 10501 O1 TIP3A3501 49.872 22.455 45.912 1.00 0.00 O -ATOM 10502 H1 TIP3A3501 49.258 23.159 46.117 1.00 0.00 H -ATOM 10503 H2 TIP3A3501 49.792 21.845 46.646 1.00 0.00 H -ATOM 10504 O1 TIP3A3502 25.050 19.237 15.281 1.00 0.00 O -ATOM 10505 H1 TIP3A3502 24.612 18.397 15.411 1.00 0.00 H -ATOM 10506 H2 TIP3A3502 25.757 19.242 15.927 1.00 0.00 H -ATOM 10507 O1 TIP3A3503 18.657 37.963 36.785 1.00 0.00 O -ATOM 10508 H1 TIP3A3503 18.357 37.479 36.017 1.00 0.00 H -ATOM 10509 H2 TIP3A3503 19.359 38.526 36.455 1.00 0.00 H -ATOM 10510 O1 TIP3A3504 12.509 19.572 8.646 1.00 0.00 O -ATOM 10511 H1 TIP3A3504 12.175 18.684 8.770 1.00 0.00 H -ATOM 10512 H2 TIP3A3504 12.911 19.797 9.485 1.00 0.00 H -ATOM 10513 O1 TIP3A3505 27.082 24.633 30.592 1.00 0.00 O -ATOM 10514 H1 TIP3A3505 27.067 23.753 30.967 1.00 0.00 H -ATOM 10515 H2 TIP3A3505 27.448 24.514 29.715 1.00 0.00 H -ATOM 10516 O1 TIP3A3506 7.773 52.583 40.507 1.00 0.00 O -ATOM 10517 H1 TIP3A3506 7.867 53.413 40.041 1.00 0.00 H -ATOM 10518 H2 TIP3A3506 7.830 51.916 39.823 1.00 0.00 H -ATOM 10519 O1 TIP3A3507 51.651 57.984 15.537 1.00 0.00 O -ATOM 10520 H1 TIP3A3507 52.214 57.973 16.310 1.00 0.00 H -ATOM 10521 H2 TIP3A3507 51.630 57.073 15.242 1.00 0.00 H -ATOM 10522 O1 TIP3A3508 22.671 25.259 5.564 1.00 0.00 O -ATOM 10523 H1 TIP3A3508 21.883 24.728 5.455 1.00 0.00 H -ATOM 10524 H2 TIP3A3508 22.515 26.034 5.023 1.00 0.00 H -ATOM 10525 O1 TIP3A3509 3.566 56.259 45.405 1.00 0.00 O -ATOM 10526 H1 TIP3A3509 3.339 56.832 44.674 1.00 0.00 H -ATOM 10527 H2 TIP3A3509 2.978 55.509 45.313 1.00 0.00 H -ATOM 10528 O1 TIP3A3510 46.308 56.008 30.727 1.00 0.00 O -ATOM 10529 H1 TIP3A3510 47.040 56.059 30.113 1.00 0.00 H -ATOM 10530 H2 TIP3A3510 45.827 56.825 30.595 1.00 0.00 H -ATOM 10531 O1 TIP3A3511 3.581 48.177 5.037 1.00 0.00 O -ATOM 10532 H1 TIP3A3511 2.837 47.690 5.390 1.00 0.00 H -ATOM 10533 H2 TIP3A3511 3.264 48.529 4.205 1.00 0.00 H -ATOM 10534 O1 TIP3A3512 11.803 56.987 55.693 1.00 0.00 O -ATOM 10535 H1 TIP3A3512 11.044 57.316 55.213 1.00 0.00 H -ATOM 10536 H2 TIP3A3512 11.444 56.331 56.291 1.00 0.00 H -ATOM 10537 O1 TIP3A3513 29.408 13.822 18.641 1.00 0.00 O -ATOM 10538 H1 TIP3A3513 28.485 14.071 18.672 1.00 0.00 H -ATOM 10539 H2 TIP3A3513 29.468 13.052 19.207 1.00 0.00 H -ATOM 10540 O1 TIP3A3514 23.368 43.528 18.017 1.00 0.00 O -ATOM 10541 H1 TIP3A3514 22.970 42.830 18.537 1.00 0.00 H -ATOM 10542 H2 TIP3A3514 22.686 43.782 17.394 1.00 0.00 H -ATOM 10543 O1 TIP3A3515 16.351 26.427 7.902 1.00 0.00 O -ATOM 10544 H1 TIP3A3515 17.070 27.009 7.659 1.00 0.00 H -ATOM 10545 H2 TIP3A3515 15.888 26.895 8.598 1.00 0.00 H -ATOM 10546 O1 TIP3A3516 9.590 5.857 40.104 1.00 0.00 O -ATOM 10547 H1 TIP3A3516 8.900 6.515 40.183 1.00 0.00 H -ATOM 10548 H2 TIP3A3516 10.238 6.258 39.524 1.00 0.00 H -ATOM 10549 O1 TIP3A3517 23.564 26.410 7.716 1.00 0.00 O -ATOM 10550 H1 TIP3A3517 22.920 27.116 7.691 1.00 0.00 H -ATOM 10551 H2 TIP3A3517 24.223 26.663 7.068 1.00 0.00 H -ATOM 10552 O1 TIP3A3518 32.850 37.334 14.888 1.00 0.00 O -ATOM 10553 H1 TIP3A3518 32.042 37.811 14.703 1.00 0.00 H -ATOM 10554 H2 TIP3A3518 33.423 37.534 14.147 1.00 0.00 H -ATOM 10555 O1 TIP3A3519 25.055 9.785 25.722 1.00 0.00 O -ATOM 10556 H1 TIP3A3519 25.999 9.785 25.877 1.00 0.00 H -ATOM 10557 H2 TIP3A3519 24.710 10.427 26.343 1.00 0.00 H -ATOM 10558 O1 TIP3A3520 55.161 12.249 40.889 1.00 0.00 O -ATOM 10559 H1 TIP3A3520 54.709 13.076 41.055 1.00 0.00 H -ATOM 10560 H2 TIP3A3520 55.924 12.494 40.365 1.00 0.00 H -ATOM 10561 O1 TIP3A3521 13.595 37.728 24.122 1.00 0.00 O -ATOM 10562 H1 TIP3A3521 13.900 36.827 24.223 1.00 0.00 H -ATOM 10563 H2 TIP3A3521 14.366 38.211 23.823 1.00 0.00 H -ATOM 10564 O1 TIP3A3522 30.943 56.286 4.162 1.00 0.00 O -ATOM 10565 H1 TIP3A3522 31.101 55.773 3.370 1.00 0.00 H -ATOM 10566 H2 TIP3A3522 30.545 55.666 4.774 1.00 0.00 H -ATOM 10567 O1 TIP3A3523 33.861 15.722 32.120 1.00 0.00 O -ATOM 10568 H1 TIP3A3523 34.138 15.433 31.251 1.00 0.00 H -ATOM 10569 H2 TIP3A3523 33.971 14.950 32.675 1.00 0.00 H -ATOM 10570 O1 TIP3A3524 13.031 21.459 2.539 1.00 0.00 O -ATOM 10571 H1 TIP3A3524 12.744 21.988 3.282 1.00 0.00 H -ATOM 10572 H2 TIP3A3524 13.078 20.566 2.883 1.00 0.00 H -ATOM 10573 O1 TIP3A3525 30.418 37.242 16.995 1.00 0.00 O -ATOM 10574 H1 TIP3A3525 31.314 37.146 16.672 1.00 0.00 H -ATOM 10575 H2 TIP3A3525 29.884 37.312 16.203 1.00 0.00 H -ATOM 10576 O1 TIP3A3526 8.122 44.374 51.754 1.00 0.00 O -ATOM 10577 H1 TIP3A3526 8.212 45.305 51.553 1.00 0.00 H -ATOM 10578 H2 TIP3A3526 7.776 44.354 52.647 1.00 0.00 H -ATOM 10579 O1 TIP3A3527 48.786 22.336 39.966 1.00 0.00 O -ATOM 10580 H1 TIP3A3527 48.820 23.292 39.993 1.00 0.00 H -ATOM 10581 H2 TIP3A3527 49.605 22.079 39.542 1.00 0.00 H -ATOM 10582 O1 TIP3A3528 21.776 7.124 30.691 1.00 0.00 O -ATOM 10583 H1 TIP3A3528 22.149 7.236 29.817 1.00 0.00 H -ATOM 10584 H2 TIP3A3528 22.536 7.060 31.270 1.00 0.00 H -ATOM 10585 O1 TIP3A3529 3.274 21.245 52.467 1.00 0.00 O -ATOM 10586 H1 TIP3A3529 2.776 20.436 52.578 1.00 0.00 H -ATOM 10587 H2 TIP3A3529 2.675 21.836 52.010 1.00 0.00 H -ATOM 10588 O1 TIP3A3530 17.964 10.390 12.418 1.00 0.00 O -ATOM 10589 H1 TIP3A3530 17.536 9.699 12.922 1.00 0.00 H -ATOM 10590 H2 TIP3A3530 17.841 10.131 11.504 1.00 0.00 H -ATOM 10591 O1 TIP3A3531 57.365 23.221 22.172 1.00 0.00 O -ATOM 10592 H1 TIP3A3531 56.667 22.750 22.624 1.00 0.00 H -ATOM 10593 H2 TIP3A3531 57.566 22.679 21.408 1.00 0.00 H -ATOM 10594 O1 TIP3A3532 33.766 3.490 1.986 1.00 0.00 O -ATOM 10595 H1 TIP3A3532 34.095 3.904 2.783 1.00 0.00 H -ATOM 10596 H2 TIP3A3532 34.144 2.610 2.000 1.00 0.00 H -ATOM 10597 O1 TIP3A3533 31.949 0.709 47.654 1.00 0.00 O -ATOM 10598 H1 TIP3A3533 31.653 1.337 48.313 1.00 0.00 H -ATOM 10599 H2 TIP3A3533 31.200 0.125 47.527 1.00 0.00 H -ATOM 10600 O1 TIP3A3534 2.381 54.469 36.406 1.00 0.00 O -ATOM 10601 H1 TIP3A3534 2.521 53.552 36.641 1.00 0.00 H -ATOM 10602 H2 TIP3A3534 3.239 54.879 36.517 1.00 0.00 H -ATOM 10603 O1 TIP3A3535 30.807 42.042 50.923 1.00 0.00 O -ATOM 10604 H1 TIP3A3535 31.058 42.009 51.846 1.00 0.00 H -ATOM 10605 H2 TIP3A3535 31.451 42.625 50.520 1.00 0.00 H -ATOM 10606 O1 TIP3A3536 10.322 24.061 1.416 1.00 0.00 O -ATOM 10607 H1 TIP3A3536 11.238 24.277 1.591 1.00 0.00 H -ATOM 10608 H2 TIP3A3536 10.302 23.834 0.486 1.00 0.00 H -ATOM 10609 O1 TIP3A3537 54.532 8.809 19.763 1.00 0.00 O -ATOM 10610 H1 TIP3A3537 53.910 9.530 19.670 1.00 0.00 H -ATOM 10611 H2 TIP3A3537 55.275 9.061 19.213 1.00 0.00 H -ATOM 10612 O1 TIP3A3538 57.941 14.457 5.995 1.00 0.00 O -ATOM 10613 H1 TIP3A3538 57.192 14.342 5.411 1.00 0.00 H -ATOM 10614 H2 TIP3A3538 58.000 13.632 6.477 1.00 0.00 H -ATOM 10615 O1 TIP3A3539 51.954 41.475 10.681 1.00 0.00 O -ATOM 10616 H1 TIP3A3539 52.745 41.031 10.376 1.00 0.00 H -ATOM 10617 H2 TIP3A3539 52.218 42.390 10.787 1.00 0.00 H -ATOM 10618 O1 TIP3A3540 12.041 52.195 13.913 1.00 0.00 O -ATOM 10619 H1 TIP3A3540 11.782 53.116 13.896 1.00 0.00 H -ATOM 10620 H2 TIP3A3540 11.224 51.713 13.787 1.00 0.00 H -ATOM 10621 O1 TIP3A3541 49.270 39.204 21.540 1.00 0.00 O -ATOM 10622 H1 TIP3A3541 49.162 40.117 21.277 1.00 0.00 H -ATOM 10623 H2 TIP3A3541 50.188 39.006 21.351 1.00 0.00 H -ATOM 10624 O1 TIP3A3542 55.149 21.942 4.261 1.00 0.00 O -ATOM 10625 H1 TIP3A3542 55.425 21.303 3.604 1.00 0.00 H -ATOM 10626 H2 TIP3A3542 55.965 22.339 4.567 1.00 0.00 H -ATOM 10627 O1 TIP3A3543 41.992 52.227 57.704 1.00 0.00 O -ATOM 10628 H1 TIP3A3543 42.376 53.032 57.360 1.00 0.00 H -ATOM 10629 H2 TIP3A3543 41.161 52.137 57.237 1.00 0.00 H -ATOM 10630 O1 TIP3A3544 5.188 41.198 50.761 1.00 0.00 O -ATOM 10631 H1 TIP3A3544 5.549 40.349 50.511 1.00 0.00 H -ATOM 10632 H2 TIP3A3544 4.240 41.063 50.769 1.00 0.00 H -ATOM 10633 O1 TIP3A3545 46.625 54.437 44.542 1.00 0.00 O -ATOM 10634 H1 TIP3A3545 45.864 54.142 44.043 1.00 0.00 H -ATOM 10635 H2 TIP3A3545 47.153 53.647 44.665 1.00 0.00 H -ATOM 10636 O1 TIP3A3546 5.342 15.156 0.439 1.00 0.00 O -ATOM 10637 H1 TIP3A3546 4.945 14.302 0.274 1.00 0.00 H -ATOM 10638 H2 TIP3A3546 4.769 15.779 -0.009 1.00 0.00 H -ATOM 10639 O1 TIP3A3547 53.211 4.373 11.204 1.00 0.00 O -ATOM 10640 H1 TIP3A3547 52.953 5.262 11.445 1.00 0.00 H -ATOM 10641 H2 TIP3A3547 53.657 4.473 10.363 1.00 0.00 H -ATOM 10642 O1 TIP3A3548 22.494 37.788 9.242 1.00 0.00 O -ATOM 10643 H1 TIP3A3548 22.639 38.671 9.582 1.00 0.00 H -ATOM 10644 H2 TIP3A3548 21.971 37.919 8.451 1.00 0.00 H -ATOM 10645 O1 TIP3A3549 36.425 41.330 15.043 1.00 0.00 O -ATOM 10646 H1 TIP3A3549 37.321 41.640 15.169 1.00 0.00 H -ATOM 10647 H2 TIP3A3549 35.939 41.693 15.784 1.00 0.00 H -ATOM 10648 O1 TIP3A3550 41.571 25.777 51.980 1.00 0.00 O -ATOM 10649 H1 TIP3A3550 42.294 25.823 52.605 1.00 0.00 H -ATOM 10650 H2 TIP3A3550 41.647 26.581 51.466 1.00 0.00 H -ATOM 10651 O1 TIP3A3551 20.115 54.455 0.744 1.00 0.00 O -ATOM 10652 H1 TIP3A3551 20.946 54.700 1.152 1.00 0.00 H -ATOM 10653 H2 TIP3A3551 19.822 55.250 0.298 1.00 0.00 H -ATOM 10654 O1 TIP3A3552 35.500 17.256 9.958 1.00 0.00 O -ATOM 10655 H1 TIP3A3552 35.572 18.202 9.837 1.00 0.00 H -ATOM 10656 H2 TIP3A3552 36.381 16.923 9.787 1.00 0.00 H -ATOM 10657 O1 TIP3A3553 46.820 12.025 2.949 1.00 0.00 O -ATOM 10658 H1 TIP3A3553 47.649 11.549 2.908 1.00 0.00 H -ATOM 10659 H2 TIP3A3553 46.802 12.401 3.829 1.00 0.00 H -ATOM 10660 O1 TIP3A3554 39.015 32.265 13.712 1.00 0.00 O -ATOM 10661 H1 TIP3A3554 38.145 32.657 13.643 1.00 0.00 H -ATOM 10662 H2 TIP3A3554 39.345 32.253 12.813 1.00 0.00 H -ATOM 10663 O1 TIP3A3555 18.245 25.429 55.674 1.00 0.00 O -ATOM 10664 H1 TIP3A3555 18.992 25.112 55.167 1.00 0.00 H -ATOM 10665 H2 TIP3A3555 18.636 25.908 56.405 1.00 0.00 H -ATOM 10666 O1 TIP3A3556 44.968 23.893 4.601 1.00 0.00 O -ATOM 10667 H1 TIP3A3556 44.896 24.197 5.505 1.00 0.00 H -ATOM 10668 H2 TIP3A3556 44.067 23.700 4.340 1.00 0.00 H -ATOM 10669 O1 TIP3A3557 19.884 33.904 30.109 1.00 0.00 O -ATOM 10670 H1 TIP3A3557 20.019 34.850 30.061 1.00 0.00 H -ATOM 10671 H2 TIP3A3557 20.538 33.538 29.513 1.00 0.00 H -ATOM 10672 O1 TIP3A3558 41.531 34.400 43.736 1.00 0.00 O -ATOM 10673 H1 TIP3A3558 40.616 34.484 43.999 1.00 0.00 H -ATOM 10674 H2 TIP3A3558 41.593 34.896 42.919 1.00 0.00 H -ATOM 10675 O1 TIP3A3559 27.819 54.193 50.719 1.00 0.00 O -ATOM 10676 H1 TIP3A3559 27.132 54.630 51.221 1.00 0.00 H -ATOM 10677 H2 TIP3A3559 28.454 53.909 51.377 1.00 0.00 H -ATOM 10678 O1 TIP3A3560 2.317 7.568 11.753 1.00 0.00 O -ATOM 10679 H1 TIP3A3560 3.109 7.034 11.707 1.00 0.00 H -ATOM 10680 H2 TIP3A3560 2.608 8.397 12.136 1.00 0.00 H -ATOM 10681 O1 TIP3A3561 33.838 34.032 16.419 1.00 0.00 O -ATOM 10682 H1 TIP3A3561 33.200 33.320 16.402 1.00 0.00 H -ATOM 10683 H2 TIP3A3561 33.523 34.652 15.760 1.00 0.00 H -ATOM 10684 O1 TIP3A3562 0.639 15.919 49.143 1.00 0.00 O -ATOM 10685 H1 TIP3A3562 0.665 16.270 48.253 1.00 0.00 H -ATOM 10686 H2 TIP3A3562 1.061 16.591 49.679 1.00 0.00 H -ATOM 10687 O1 TIP3A3563 9.214 53.578 13.598 1.00 0.00 O -ATOM 10688 H1 TIP3A3563 8.615 54.282 13.355 1.00 0.00 H -ATOM 10689 H2 TIP3A3563 8.925 53.305 14.470 1.00 0.00 H -ATOM 10690 O1 TIP3A3564 50.821 29.190 7.187 1.00 0.00 O -ATOM 10691 H1 TIP3A3564 50.666 28.662 7.970 1.00 0.00 H -ATOM 10692 H2 TIP3A3564 51.772 29.302 7.158 1.00 0.00 H -ATOM 10693 O1 TIP3A3565 24.151 51.043 46.788 1.00 0.00 O -ATOM 10694 H1 TIP3A3565 23.434 50.411 46.839 1.00 0.00 H -ATOM 10695 H2 TIP3A3565 24.864 50.638 47.283 1.00 0.00 H -ATOM 10696 O1 TIP3A3566 20.276 53.923 24.867 1.00 0.00 O -ATOM 10697 H1 TIP3A3566 20.442 52.994 24.712 1.00 0.00 H -ATOM 10698 H2 TIP3A3566 21.147 54.310 24.964 1.00 0.00 H -ATOM 10699 O1 TIP3A3567 52.627 1.768 9.958 1.00 0.00 O -ATOM 10700 H1 TIP3A3567 53.254 2.309 10.436 1.00 0.00 H -ATOM 10701 H2 TIP3A3567 51.783 2.200 10.096 1.00 0.00 H -ATOM 10702 O1 TIP3A3568 30.785 52.834 37.355 1.00 0.00 O -ATOM 10703 H1 TIP3A3568 30.372 52.726 38.211 1.00 0.00 H -ATOM 10704 H2 TIP3A3568 30.808 53.781 37.217 1.00 0.00 H -ATOM 10705 O1 TIP3A3569 16.965 31.477 40.835 1.00 0.00 O -ATOM 10706 H1 TIP3A3569 16.065 31.801 40.831 1.00 0.00 H -ATOM 10707 H2 TIP3A3569 16.877 30.525 40.778 1.00 0.00 H -ATOM 10708 O1 TIP3A3570 22.399 11.093 24.023 1.00 0.00 O -ATOM 10709 H1 TIP3A3570 23.105 10.612 24.452 1.00 0.00 H -ATOM 10710 H2 TIP3A3570 21.832 10.413 23.658 1.00 0.00 H -ATOM 10711 O1 TIP3A3571 33.041 25.241 41.547 1.00 0.00 O -ATOM 10712 H1 TIP3A3571 32.990 25.516 40.633 1.00 0.00 H -ATOM 10713 H2 TIP3A3571 33.940 25.443 41.809 1.00 0.00 H -ATOM 10714 O1 TIP3A3572 29.566 56.818 22.673 1.00 0.00 O -ATOM 10715 H1 TIP3A3572 28.906 57.267 23.200 1.00 0.00 H -ATOM 10716 H2 TIP3A3572 29.225 56.854 21.779 1.00 0.00 H -ATOM 10717 O1 TIP3A3573 16.895 10.222 0.560 1.00 0.00 O -ATOM 10718 H1 TIP3A3573 16.567 9.525 -0.008 1.00 0.00 H -ATOM 10719 H2 TIP3A3573 16.842 11.014 0.024 1.00 0.00 H -ATOM 10720 O1 TIP3A3574 54.595 19.040 46.823 1.00 0.00 O -ATOM 10721 H1 TIP3A3574 55.274 18.411 47.066 1.00 0.00 H -ATOM 10722 H2 TIP3A3574 54.847 19.849 47.269 1.00 0.00 H -ATOM 10723 O1 TIP3A3575 35.359 48.042 38.259 1.00 0.00 O -ATOM 10724 H1 TIP3A3575 34.567 47.810 38.743 1.00 0.00 H -ATOM 10725 H2 TIP3A3575 35.763 47.202 38.042 1.00 0.00 H -ATOM 10726 O1 TIP3A3576 54.544 52.241 14.083 1.00 0.00 O -ATOM 10727 H1 TIP3A3576 53.633 52.521 14.167 1.00 0.00 H -ATOM 10728 H2 TIP3A3576 55.055 53.005 14.355 1.00 0.00 H -ATOM 10729 O1 TIP3A3577 50.609 15.837 25.050 1.00 0.00 O -ATOM 10730 H1 TIP3A3577 51.357 16.420 25.174 1.00 0.00 H -ATOM 10731 H2 TIP3A3577 50.995 15.009 24.764 1.00 0.00 H -ATOM 10732 O1 TIP3A3578 51.859 6.219 0.455 1.00 0.00 O -ATOM 10733 H1 TIP3A3578 51.273 5.561 0.829 1.00 0.00 H -ATOM 10734 H2 TIP3A3578 51.874 6.924 1.104 1.00 0.00 H -ATOM 10735 O1 TIP3A3579 11.845 10.573 38.178 1.00 0.00 O -ATOM 10736 H1 TIP3A3579 12.754 10.864 38.238 1.00 0.00 H -ATOM 10737 H2 TIP3A3579 11.373 11.133 38.795 1.00 0.00 H -ATOM 10738 O1 TIP3A3580 36.959 50.976 15.063 1.00 0.00 O -ATOM 10739 H1 TIP3A3580 37.376 51.831 15.160 1.00 0.00 H -ATOM 10740 H2 TIP3A3580 36.028 51.144 15.216 1.00 0.00 H -ATOM 10741 O1 TIP3A3581 1.052 10.043 34.039 1.00 0.00 O -ATOM 10742 H1 TIP3A3581 1.746 10.658 33.803 1.00 0.00 H -ATOM 10743 H2 TIP3A3581 0.399 10.140 33.345 1.00 0.00 H -ATOM 10744 O1 TIP3A3582 11.639 37.066 15.174 1.00 0.00 O -ATOM 10745 H1 TIP3A3582 10.795 36.687 15.414 1.00 0.00 H -ATOM 10746 H2 TIP3A3582 11.423 37.753 14.543 1.00 0.00 H -ATOM 10747 O1 TIP3A3583 32.763 14.549 44.894 1.00 0.00 O -ATOM 10748 H1 TIP3A3583 33.096 15.411 44.646 1.00 0.00 H -ATOM 10749 H2 TIP3A3583 32.418 14.671 45.779 1.00 0.00 H -ATOM 10750 O1 TIP3A3584 40.363 6.110 48.733 1.00 0.00 O -ATOM 10751 H1 TIP3A3584 40.071 6.881 48.248 1.00 0.00 H -ATOM 10752 H2 TIP3A3584 39.756 5.417 48.471 1.00 0.00 H -ATOM 10753 O1 TIP3A3585 23.614 24.131 57.624 1.00 0.00 O -ATOM 10754 H1 TIP3A3585 23.741 24.520 56.759 1.00 0.00 H -ATOM 10755 H2 TIP3A3585 23.994 23.255 57.551 1.00 0.00 H -ATOM 10756 O1 TIP3A3586 13.513 52.925 34.878 1.00 0.00 O -ATOM 10757 H1 TIP3A3586 12.572 53.086 34.820 1.00 0.00 H -ATOM 10758 H2 TIP3A3586 13.892 53.468 34.186 1.00 0.00 H -ATOM 10759 O1 TIP3A3587 41.166 36.747 13.325 1.00 0.00 O -ATOM 10760 H1 TIP3A3587 41.923 37.303 13.500 1.00 0.00 H -ATOM 10761 H2 TIP3A3587 41.533 35.962 12.917 1.00 0.00 H -ATOM 10762 O1 TIP3A3588 12.947 40.778 2.116 1.00 0.00 O -ATOM 10763 H1 TIP3A3588 13.755 40.809 2.627 1.00 0.00 H -ATOM 10764 H2 TIP3A3588 12.691 41.695 2.016 1.00 0.00 H -ATOM 10765 O1 TIP3A3589 4.371 13.316 34.237 1.00 0.00 O -ATOM 10766 H1 TIP3A3589 4.098 14.209 34.027 1.00 0.00 H -ATOM 10767 H2 TIP3A3589 4.628 13.354 35.158 1.00 0.00 H -ATOM 10768 O1 TIP3A3590 47.713 45.513 25.205 1.00 0.00 O -ATOM 10769 H1 TIP3A3590 48.143 45.198 25.999 1.00 0.00 H -ATOM 10770 H2 TIP3A3590 48.078 44.972 24.504 1.00 0.00 H -ATOM 10771 O1 TIP3A3591 23.697 9.321 7.193 1.00 0.00 O -ATOM 10772 H1 TIP3A3591 24.158 10.151 7.310 1.00 0.00 H -ATOM 10773 H2 TIP3A3591 22.894 9.419 7.705 1.00 0.00 H -ATOM 10774 O1 TIP3A3592 54.286 0.625 26.070 1.00 0.00 O -ATOM 10775 H1 TIP3A3592 53.690 1.168 25.556 1.00 0.00 H -ATOM 10776 H2 TIP3A3592 53.873 0.562 26.931 1.00 0.00 H -ATOM 10777 O1 TIP3A3593 33.979 19.813 28.957 1.00 0.00 O -ATOM 10778 H1 TIP3A3593 34.748 19.624 29.492 1.00 0.00 H -ATOM 10779 H2 TIP3A3593 34.119 19.315 28.150 1.00 0.00 H -ATOM 10780 O1 TIP3A3594 34.997 52.366 32.000 1.00 0.00 O -ATOM 10781 H1 TIP3A3594 35.683 52.388 31.334 1.00 0.00 H -ATOM 10782 H2 TIP3A3594 34.666 51.467 31.974 1.00 0.00 H -ATOM 10783 O1 TIP3A3595 49.383 45.892 39.805 1.00 0.00 O -ATOM 10784 H1 TIP3A3595 49.968 45.165 40.016 1.00 0.00 H -ATOM 10785 H2 TIP3A3595 49.969 46.605 39.548 1.00 0.00 H -ATOM 10786 O1 TIP3A3596 16.542 6.221 49.395 1.00 0.00 O -ATOM 10787 H1 TIP3A3596 15.773 5.652 49.399 1.00 0.00 H -ATOM 10788 H2 TIP3A3596 16.620 6.512 48.486 1.00 0.00 H -ATOM 10789 O1 TIP3A3597 9.914 42.254 53.364 1.00 0.00 O -ATOM 10790 H1 TIP3A3597 10.730 41.803 53.578 1.00 0.00 H -ATOM 10791 H2 TIP3A3597 9.963 43.081 53.845 1.00 0.00 H -ATOM 10792 O1 TIP3A3598 35.154 18.041 49.495 1.00 0.00 O -ATOM 10793 H1 TIP3A3598 35.919 17.770 50.002 1.00 0.00 H -ATOM 10794 H2 TIP3A3598 35.310 17.687 48.619 1.00 0.00 H -ATOM 10795 O1 TIP3A3599 16.865 23.206 3.286 1.00 0.00 O -ATOM 10796 H1 TIP3A3599 16.583 22.882 4.141 1.00 0.00 H -ATOM 10797 H2 TIP3A3599 17.783 22.941 3.220 1.00 0.00 H -ATOM 10798 O1 TIP3A3600 50.615 55.825 11.630 1.00 0.00 O -ATOM 10799 H1 TIP3A3600 51.547 55.684 11.794 1.00 0.00 H -ATOM 10800 H2 TIP3A3600 50.480 56.758 11.802 1.00 0.00 H -ATOM 10801 O1 TIP3A3601 -0.003 42.913 2.424 1.00 0.00 O -ATOM 10802 H1 TIP3A3601 0.133 43.121 3.348 1.00 0.00 H -ATOM 10803 H2 TIP3A3601 0.860 42.647 2.108 1.00 0.00 H -ATOM 10804 O1 TIP3A3602 4.783 2.218 17.404 1.00 0.00 O -ATOM 10805 H1 TIP3A3602 4.880 1.440 16.856 1.00 0.00 H -ATOM 10806 H2 TIP3A3602 5.477 2.808 17.109 1.00 0.00 H -ATOM 10807 O1 TIP3A3603 11.769 17.755 1.975 1.00 0.00 O -ATOM 10808 H1 TIP3A3603 11.113 17.168 1.599 1.00 0.00 H -ATOM 10809 H2 TIP3A3603 11.825 17.494 2.894 1.00 0.00 H -ATOM 10810 O1 TIP3A3604 17.410 54.039 19.544 1.00 0.00 O -ATOM 10811 H1 TIP3A3604 16.461 54.028 19.665 1.00 0.00 H -ATOM 10812 H2 TIP3A3604 17.738 53.385 20.163 1.00 0.00 H -ATOM 10813 O1 TIP3A3605 23.316 41.105 27.571 1.00 0.00 O -ATOM 10814 H1 TIP3A3605 23.884 41.873 27.542 1.00 0.00 H -ATOM 10815 H2 TIP3A3605 22.474 41.415 27.237 1.00 0.00 H -ATOM 10816 O1 TIP3A3606 56.614 33.808 54.166 1.00 0.00 O -ATOM 10817 H1 TIP3A3606 57.149 34.584 54.005 1.00 0.00 H -ATOM 10818 H2 TIP3A3606 55.874 34.130 54.683 1.00 0.00 H -ATOM 10819 O1 TIP3A3607 6.336 51.985 14.631 1.00 0.00 O -ATOM 10820 H1 TIP3A3607 5.695 51.976 15.341 1.00 0.00 H -ATOM 10821 H2 TIP3A3607 6.795 52.819 14.732 1.00 0.00 H -ATOM 10822 O1 TIP3A3608 15.363 21.502 15.173 1.00 0.00 O -ATOM 10823 H1 TIP3A3608 16.310 21.449 15.296 1.00 0.00 H -ATOM 10824 H2 TIP3A3608 15.130 22.380 15.478 1.00 0.00 H -ATOM 10825 O1 TIP3A3609 24.983 29.543 49.260 1.00 0.00 O -ATOM 10826 H1 TIP3A3609 24.223 30.121 49.312 1.00 0.00 H -ATOM 10827 H2 TIP3A3609 24.809 28.859 49.907 1.00 0.00 H -ATOM 10828 O1 TIP3A3610 22.784 35.845 50.010 1.00 0.00 O -ATOM 10829 H1 TIP3A3610 21.855 35.946 49.806 1.00 0.00 H -ATOM 10830 H2 TIP3A3610 23.168 35.484 49.210 1.00 0.00 H -ATOM 10831 O1 TIP3A3611 24.064 33.724 17.925 1.00 0.00 O -ATOM 10832 H1 TIP3A3611 23.421 33.026 18.043 1.00 0.00 H -ATOM 10833 H2 TIP3A3611 24.313 33.668 17.002 1.00 0.00 H -ATOM 10834 O1 TIP3A3612 10.854 26.428 16.773 1.00 0.00 O -ATOM 10835 H1 TIP3A3612 11.295 27.232 17.047 1.00 0.00 H -ATOM 10836 H2 TIP3A3612 9.933 26.571 16.996 1.00 0.00 H -ATOM 10837 O1 TIP3A3613 53.640 12.063 39.117 1.00 0.00 O -ATOM 10838 H1 TIP3A3613 54.136 11.408 38.627 1.00 0.00 H -ATOM 10839 H2 TIP3A3613 52.734 11.941 38.831 1.00 0.00 H -ATOM 10840 O1 TIP3A3614 9.395 12.041 7.771 1.00 0.00 O -ATOM 10841 H1 TIP3A3614 9.992 12.783 7.867 1.00 0.00 H -ATOM 10842 H2 TIP3A3614 8.612 12.298 8.259 1.00 0.00 H -ATOM 10843 O1 TIP3A3615 38.227 53.975 27.211 1.00 0.00 O -ATOM 10844 H1 TIP3A3615 39.153 53.900 27.439 1.00 0.00 H -ATOM 10845 H2 TIP3A3615 37.960 53.082 26.990 1.00 0.00 H -ATOM 10846 O1 TIP3A3616 21.474 29.035 53.035 1.00 0.00 O -ATOM 10847 H1 TIP3A3616 20.758 28.403 53.088 1.00 0.00 H -ATOM 10848 H2 TIP3A3616 22.202 28.612 53.490 1.00 0.00 H -ATOM 10849 O1 TIP3A3617 4.805 6.335 40.245 1.00 0.00 O -ATOM 10850 H1 TIP3A3617 4.619 6.848 39.460 1.00 0.00 H -ATOM 10851 H2 TIP3A3617 5.645 6.671 40.559 1.00 0.00 H -ATOM 10852 O1 TIP3A3618 51.818 40.923 2.322 1.00 0.00 O -ATOM 10853 H1 TIP3A3618 52.604 40.440 2.574 1.00 0.00 H -ATOM 10854 H2 TIP3A3618 51.192 40.245 2.065 1.00 0.00 H -ATOM 10855 O1 TIP3A3619 42.456 35.424 30.650 1.00 0.00 O -ATOM 10856 H1 TIP3A3619 42.704 34.778 29.989 1.00 0.00 H -ATOM 10857 H2 TIP3A3619 43.276 35.865 30.875 1.00 0.00 H -ATOM 10858 O1 TIP3A3620 53.107 28.821 57.771 1.00 0.00 O -ATOM 10859 H1 TIP3A3620 52.738 29.672 58.003 1.00 0.00 H -ATOM 10860 H2 TIP3A3620 52.512 28.474 57.105 1.00 0.00 H -ATOM 10861 O1 TIP3A3621 51.746 5.852 16.491 1.00 0.00 O -ATOM 10862 H1 TIP3A3621 52.071 5.877 15.592 1.00 0.00 H -ATOM 10863 H2 TIP3A3621 50.815 6.061 16.416 1.00 0.00 H -ATOM 10864 O1 TIP3A3622 34.670 33.976 50.977 1.00 0.00 O -ATOM 10865 H1 TIP3A3622 34.116 34.640 51.386 1.00 0.00 H -ATOM 10866 H2 TIP3A3622 34.719 34.238 50.057 1.00 0.00 H -ATOM 10867 O1 TIP3A3623 24.641 1.475 28.708 1.00 0.00 O -ATOM 10868 H1 TIP3A3623 24.249 2.064 28.064 1.00 0.00 H -ATOM 10869 H2 TIP3A3623 23.894 1.046 29.127 1.00 0.00 H -ATOM 10870 O1 TIP3A3624 52.966 19.735 33.942 1.00 0.00 O -ATOM 10871 H1 TIP3A3624 53.301 19.131 34.604 1.00 0.00 H -ATOM 10872 H2 TIP3A3624 53.406 20.564 34.129 1.00 0.00 H -ATOM 10873 O1 TIP3A3625 21.812 51.246 38.700 1.00 0.00 O -ATOM 10874 H1 TIP3A3625 21.778 50.500 39.298 1.00 0.00 H -ATOM 10875 H2 TIP3A3625 21.185 51.029 38.009 1.00 0.00 H -ATOM 10876 O1 TIP3A3626 54.911 43.399 3.371 1.00 0.00 O -ATOM 10877 H1 TIP3A3626 55.348 42.912 2.673 1.00 0.00 H -ATOM 10878 H2 TIP3A3626 54.237 42.801 3.695 1.00 0.00 H -ATOM 10879 O1 TIP3A3627 53.676 53.961 39.957 1.00 0.00 O -ATOM 10880 H1 TIP3A3627 54.528 54.392 39.901 1.00 0.00 H -ATOM 10881 H2 TIP3A3627 53.043 54.679 39.958 1.00 0.00 H -ATOM 10882 O1 TIP3A3628 36.344 49.123 29.000 1.00 0.00 O -ATOM 10883 H1 TIP3A3628 36.086 48.378 29.542 1.00 0.00 H -ATOM 10884 H2 TIP3A3628 35.949 48.946 28.146 1.00 0.00 H -ATOM 10885 O1 TIP3A3629 5.807 13.646 31.550 1.00 0.00 O -ATOM 10886 H1 TIP3A3629 6.719 13.849 31.755 1.00 0.00 H -ATOM 10887 H2 TIP3A3629 5.299 14.180 32.162 1.00 0.00 H -ATOM 10888 O1 TIP3A3630 4.605 19.269 7.553 1.00 0.00 O -ATOM 10889 H1 TIP3A3630 5.186 18.971 6.853 1.00 0.00 H -ATOM 10890 H2 TIP3A3630 5.154 19.268 8.337 1.00 0.00 H -ATOM 10891 O1 TIP3A3631 37.405 57.873 53.727 1.00 0.00 O -ATOM 10892 H1 TIP3A3631 37.763 56.990 53.641 1.00 0.00 H -ATOM 10893 H2 TIP3A3631 37.304 58.000 54.671 1.00 0.00 H -ATOM 10894 O1 TIP3A3632 29.446 9.280 53.558 1.00 0.00 O -ATOM 10895 H1 TIP3A3632 28.637 9.663 53.894 1.00 0.00 H -ATOM 10896 H2 TIP3A3632 30.018 9.215 54.324 1.00 0.00 H -ATOM 10897 O1 TIP3A3633 15.046 48.149 57.022 1.00 0.00 O -ATOM 10898 H1 TIP3A3633 15.474 48.903 57.425 1.00 0.00 H -ATOM 10899 H2 TIP3A3633 14.214 48.067 57.489 1.00 0.00 H -ATOM 10900 O1 TIP3A3634 32.988 18.928 14.553 1.00 0.00 O -ATOM 10901 H1 TIP3A3634 33.604 18.263 14.858 1.00 0.00 H -ATOM 10902 H2 TIP3A3634 32.792 19.449 15.333 1.00 0.00 H -ATOM 10903 O1 TIP3A3635 47.261 14.153 1.439 1.00 0.00 O -ATOM 10904 H1 TIP3A3635 46.540 13.530 1.352 1.00 0.00 H -ATOM 10905 H2 TIP3A3635 46.973 14.923 0.949 1.00 0.00 H -ATOM 10906 O1 TIP3A3636 50.048 24.767 57.153 1.00 0.00 O -ATOM 10907 H1 TIP3A3636 49.562 25.563 57.365 1.00 0.00 H -ATOM 10908 H2 TIP3A3636 50.635 25.026 56.442 1.00 0.00 H -ATOM 10909 O1 TIP3A3637 40.986 14.303 9.033 1.00 0.00 O -ATOM 10910 H1 TIP3A3637 41.930 14.190 9.143 1.00 0.00 H -ATOM 10911 H2 TIP3A3637 40.739 13.642 8.386 1.00 0.00 H -ATOM 10912 O1 TIP3A3638 0.127 40.817 53.293 1.00 0.00 O -ATOM 10913 H1 TIP3A3638 0.400 41.723 53.426 1.00 0.00 H -ATOM 10914 H2 TIP3A3638 0.830 40.428 52.772 1.00 0.00 H -ATOM 10915 O1 TIP3A3639 16.310 0.972 18.736 1.00 0.00 O -ATOM 10916 H1 TIP3A3639 17.214 0.762 18.504 1.00 0.00 H -ATOM 10917 H2 TIP3A3639 16.364 1.826 19.165 1.00 0.00 H -ATOM 10918 O1 TIP3A3640 14.463 5.956 38.233 1.00 0.00 O -ATOM 10919 H1 TIP3A3640 14.202 5.917 39.152 1.00 0.00 H -ATOM 10920 H2 TIP3A3640 13.653 6.151 37.761 1.00 0.00 H -ATOM 10921 O1 TIP3A3641 18.715 23.456 31.101 1.00 0.00 O -ATOM 10922 H1 TIP3A3641 18.896 22.531 30.937 1.00 0.00 H -ATOM 10923 H2 TIP3A3641 17.812 23.580 30.807 1.00 0.00 H -ATOM 10924 O1 TIP3A3642 39.333 12.796 12.989 1.00 0.00 O -ATOM 10925 H1 TIP3A3642 40.241 12.617 13.232 1.00 0.00 H -ATOM 10926 H2 TIP3A3642 38.900 13.009 13.816 1.00 0.00 H -ATOM 10927 O1 TIP3A3643 38.107 25.180 25.066 1.00 0.00 O -ATOM 10928 H1 TIP3A3643 37.532 25.938 24.970 1.00 0.00 H -ATOM 10929 H2 TIP3A3643 38.692 25.224 24.309 1.00 0.00 H -ATOM 10930 O1 TIP3A3644 26.598 22.485 15.302 1.00 0.00 O -ATOM 10931 H1 TIP3A3644 26.609 21.529 15.273 1.00 0.00 H -ATOM 10932 H2 TIP3A3644 27.111 22.707 16.080 1.00 0.00 H -ATOM 10933 O1 TIP3A3645 54.886 16.621 51.582 1.00 0.00 O -ATOM 10934 H1 TIP3A3645 54.541 16.044 50.900 1.00 0.00 H -ATOM 10935 H2 TIP3A3645 55.753 16.266 51.781 1.00 0.00 H -ATOM 10936 O1 TIP3A3646 25.837 52.273 35.474 1.00 0.00 O -ATOM 10937 H1 TIP3A3646 25.749 53.208 35.291 1.00 0.00 H -ATOM 10938 H2 TIP3A3646 24.953 51.990 35.708 1.00 0.00 H -ATOM 10939 O1 TIP3A3647 40.685 12.602 54.980 1.00 0.00 O -ATOM 10940 H1 TIP3A3647 40.257 12.738 54.136 1.00 0.00 H -ATOM 10941 H2 TIP3A3647 41.031 11.710 54.932 1.00 0.00 H -ATOM 10942 O1 TIP3A3648 5.783 7.558 1.114 1.00 0.00 O -ATOM 10943 H1 TIP3A3648 5.650 7.526 0.167 1.00 0.00 H -ATOM 10944 H2 TIP3A3648 6.219 8.397 1.267 1.00 0.00 H -ATOM 10945 O1 TIP3A3649 23.524 23.865 45.742 1.00 0.00 O -ATOM 10946 H1 TIP3A3649 23.484 23.979 44.793 1.00 0.00 H -ATOM 10947 H2 TIP3A3649 22.703 24.238 46.064 1.00 0.00 H -ATOM 10948 O1 TIP3A3650 4.242 26.615 35.795 1.00 0.00 O -ATOM 10949 H1 TIP3A3650 4.870 26.603 36.517 1.00 0.00 H -ATOM 10950 H2 TIP3A3650 3.472 26.160 36.138 1.00 0.00 H -ATOM 10951 O1 TIP3A3651 46.416 50.836 53.316 1.00 0.00 O -ATOM 10952 H1 TIP3A3651 45.504 50.561 53.400 1.00 0.00 H -ATOM 10953 H2 TIP3A3651 46.369 51.779 53.158 1.00 0.00 H -ATOM 10954 O1 TIP3A3652 17.040 41.433 16.888 1.00 0.00 O -ATOM 10955 H1 TIP3A3652 17.898 41.015 16.939 1.00 0.00 H -ATOM 10956 H2 TIP3A3652 17.225 42.329 16.603 1.00 0.00 H -ATOM 10957 O1 TIP3A3653 12.708 39.437 44.705 1.00 0.00 O -ATOM 10958 H1 TIP3A3653 13.003 39.656 45.589 1.00 0.00 H -ATOM 10959 H2 TIP3A3653 13.301 39.918 44.128 1.00 0.00 H -ATOM 10960 O1 TIP3A3654 49.406 56.119 8.342 1.00 0.00 O -ATOM 10961 H1 TIP3A3654 49.484 56.947 7.871 1.00 0.00 H -ATOM 10962 H2 TIP3A3654 49.807 55.473 7.760 1.00 0.00 H -ATOM 10963 O1 TIP3A3655 3.717 28.011 5.732 1.00 0.00 O -ATOM 10964 H1 TIP3A3655 3.692 28.416 6.598 1.00 0.00 H -ATOM 10965 H2 TIP3A3655 3.386 28.688 5.140 1.00 0.00 H -ATOM 10966 O1 TIP3A3656 10.530 29.106 28.727 1.00 0.00 O -ATOM 10967 H1 TIP3A3656 10.790 28.325 29.214 1.00 0.00 H -ATOM 10968 H2 TIP3A3656 10.582 29.816 29.367 1.00 0.00 H -ATOM 10969 O1 TIP3A3657 45.048 32.807 22.475 1.00 0.00 O -ATOM 10970 H1 TIP3A3657 44.696 31.948 22.705 1.00 0.00 H -ATOM 10971 H2 TIP3A3657 44.431 33.155 21.831 1.00 0.00 H -ATOM 10972 O1 TIP3A3658 0.545 7.893 6.705 1.00 0.00 O -ATOM 10973 H1 TIP3A3658 0.282 8.444 5.969 1.00 0.00 H -ATOM 10974 H2 TIP3A3658 0.233 8.361 7.480 1.00 0.00 H -ATOM 10975 O1 TIP3A3659 45.554 35.960 3.846 1.00 0.00 O -ATOM 10976 H1 TIP3A3659 45.037 36.698 3.525 1.00 0.00 H -ATOM 10977 H2 TIP3A3659 44.954 35.476 4.415 1.00 0.00 H -ATOM 10978 O1 TIP3A3660 33.946 35.128 40.190 1.00 0.00 O -ATOM 10979 H1 TIP3A3660 34.810 34.794 39.951 1.00 0.00 H -ATOM 10980 H2 TIP3A3660 33.336 34.457 39.884 1.00 0.00 H -ATOM 10981 O1 TIP3A3661 2.476 2.500 10.511 1.00 0.00 O -ATOM 10982 H1 TIP3A3661 3.189 3.134 10.439 1.00 0.00 H -ATOM 10983 H2 TIP3A3661 1.913 2.848 11.203 1.00 0.00 H -ATOM 10984 O1 TIP3A3662 6.067 56.114 44.528 1.00 0.00 O -ATOM 10985 H1 TIP3A3662 5.407 55.424 44.473 1.00 0.00 H -ATOM 10986 H2 TIP3A3662 6.903 55.647 44.534 1.00 0.00 H -ATOM 10987 O1 TIP3A3663 53.400 0.689 35.215 1.00 0.00 O -ATOM 10988 H1 TIP3A3663 52.587 1.195 35.212 1.00 0.00 H -ATOM 10989 H2 TIP3A3663 53.236 -0.024 35.832 1.00 0.00 H -ATOM 10990 O1 TIP3A3664 33.051 24.419 32.216 1.00 0.00 O -ATOM 10991 H1 TIP3A3664 32.634 23.574 32.051 1.00 0.00 H -ATOM 10992 H2 TIP3A3664 33.810 24.211 32.762 1.00 0.00 H -ATOM 10993 O1 TIP3A3665 36.177 39.579 52.026 1.00 0.00 O -ATOM 10994 H1 TIP3A3665 35.567 39.154 51.425 1.00 0.00 H -ATOM 10995 H2 TIP3A3665 35.634 39.850 52.767 1.00 0.00 H -ATOM 10996 O1 TIP3A3666 45.940 0.464 5.868 1.00 0.00 O -ATOM 10997 H1 TIP3A3666 46.770 -0.003 5.785 1.00 0.00 H -ATOM 10998 H2 TIP3A3666 45.849 0.630 6.807 1.00 0.00 H -ATOM 10999 O1 TIP3A3667 50.193 17.342 12.521 1.00 0.00 O -ATOM 11000 H1 TIP3A3667 49.440 16.937 12.950 1.00 0.00 H -ATOM 11001 H2 TIP3A3667 50.949 16.859 12.856 1.00 0.00 H -ATOM 11002 O1 TIP3A3668 36.332 5.646 34.383 1.00 0.00 O -ATOM 11003 H1 TIP3A3668 36.124 6.578 34.324 1.00 0.00 H -ATOM 11004 H2 TIP3A3668 35.755 5.314 35.071 1.00 0.00 H -ATOM 11005 O1 TIP3A3669 22.211 48.586 46.172 1.00 0.00 O -ATOM 11006 H1 TIP3A3669 21.417 48.139 46.463 1.00 0.00 H -ATOM 11007 H2 TIP3A3669 22.926 48.092 46.575 1.00 0.00 H -ATOM 11008 O1 TIP3A3670 58.009 52.421 47.533 1.00 0.00 O -ATOM 11009 H1 TIP3A3670 57.985 53.374 47.450 1.00 0.00 H -ATOM 11010 H2 TIP3A3670 57.789 52.254 48.450 1.00 0.00 H -ATOM 11011 O1 TIP3A3671 28.483 28.621 24.925 1.00 0.00 O -ATOM 11012 H1 TIP3A3671 27.840 27.919 25.013 1.00 0.00 H -ATOM 11013 H2 TIP3A3671 29.324 28.201 25.107 1.00 0.00 H -ATOM 11014 O1 TIP3A3672 36.872 20.107 38.489 1.00 0.00 O -ATOM 11015 H1 TIP3A3672 36.249 20.259 39.199 1.00 0.00 H -ATOM 11016 H2 TIP3A3672 36.944 20.953 38.046 1.00 0.00 H -ATOM 11017 O1 TIP3A3673 38.705 49.781 53.053 1.00 0.00 O -ATOM 11018 H1 TIP3A3673 38.126 49.601 52.313 1.00 0.00 H -ATOM 11019 H2 TIP3A3673 38.995 50.684 52.918 1.00 0.00 H -ATOM 11020 O1 TIP3A3674 2.569 52.384 31.317 1.00 0.00 O -ATOM 11021 H1 TIP3A3674 3.200 51.671 31.409 1.00 0.00 H -ATOM 11022 H2 TIP3A3674 3.106 53.158 31.146 1.00 0.00 H -ATOM 11023 O1 TIP3A3675 38.222 53.309 9.936 1.00 0.00 O -ATOM 11024 H1 TIP3A3675 39.171 53.424 9.970 1.00 0.00 H -ATOM 11025 H2 TIP3A3675 37.875 54.013 10.485 1.00 0.00 H -ATOM 11026 O1 TIP3A3676 30.210 12.768 32.174 1.00 0.00 O -ATOM 11027 H1 TIP3A3676 30.669 11.929 32.134 1.00 0.00 H -ATOM 11028 H2 TIP3A3676 29.346 12.587 31.804 1.00 0.00 H -ATOM 11029 O1 TIP3A3677 24.623 23.417 28.502 1.00 0.00 O -ATOM 11030 H1 TIP3A3677 25.032 22.576 28.300 1.00 0.00 H -ATOM 11031 H2 TIP3A3677 25.104 23.742 29.263 1.00 0.00 H -ATOM 11032 O1 TIP3A3678 21.451 52.542 42.364 1.00 0.00 O -ATOM 11033 H1 TIP3A3678 21.821 53.422 42.295 1.00 0.00 H -ATOM 11034 H2 TIP3A3678 20.651 52.658 42.878 1.00 0.00 H -ATOM 11035 O1 TIP3A3679 15.330 8.094 24.173 1.00 0.00 O -ATOM 11036 H1 TIP3A3679 16.223 8.405 24.321 1.00 0.00 H -ATOM 11037 H2 TIP3A3679 15.151 7.515 24.915 1.00 0.00 H -ATOM 11038 O1 TIP3A3680 51.270 30.139 49.381 1.00 0.00 O -ATOM 11039 H1 TIP3A3680 51.927 30.251 50.067 1.00 0.00 H -ATOM 11040 H2 TIP3A3680 51.580 30.686 48.659 1.00 0.00 H -ATOM 11041 O1 TIP3A3681 21.633 48.266 39.021 1.00 0.00 O -ATOM 11042 H1 TIP3A3681 21.410 47.386 39.325 1.00 0.00 H -ATOM 11043 H2 TIP3A3681 21.071 48.405 38.258 1.00 0.00 H -ATOM 11044 O1 TIP3A3682 55.377 4.483 49.946 1.00 0.00 O -ATOM 11045 H1 TIP3A3682 55.662 3.580 50.076 1.00 0.00 H -ATOM 11046 H2 TIP3A3682 56.107 5.014 50.266 1.00 0.00 H -ATOM 11047 O1 TIP3A3683 42.144 36.030 20.374 1.00 0.00 O -ATOM 11048 H1 TIP3A3683 41.587 36.397 21.060 1.00 0.00 H -ATOM 11049 H2 TIP3A3683 41.566 35.445 19.883 1.00 0.00 H -ATOM 11050 O1 TIP3A3684 30.306 44.781 1.996 1.00 0.00 O -ATOM 11051 H1 TIP3A3684 30.797 44.492 2.764 1.00 0.00 H -ATOM 11052 H2 TIP3A3684 29.631 44.111 1.877 1.00 0.00 H -ATOM 11053 O1 TIP3A3685 10.167 17.099 10.840 1.00 0.00 O -ATOM 11054 H1 TIP3A3685 11.060 17.442 10.830 1.00 0.00 H -ATOM 11055 H2 TIP3A3685 9.717 17.618 11.508 1.00 0.00 H -ATOM 11056 O1 TIP3A3686 33.406 10.327 30.895 1.00 0.00 O -ATOM 11057 H1 TIP3A3686 33.008 10.753 30.136 1.00 0.00 H -ATOM 11058 H2 TIP3A3686 32.692 9.826 31.291 1.00 0.00 H -ATOM 11059 O1 TIP3A3687 44.940 27.864 42.679 1.00 0.00 O -ATOM 11060 H1 TIP3A3687 44.342 27.344 43.214 1.00 0.00 H -ATOM 11061 H2 TIP3A3687 45.739 27.927 43.205 1.00 0.00 H -ATOM 11062 O1 TIP3A3688 43.067 33.860 32.441 1.00 0.00 O -ATOM 11063 H1 TIP3A3688 42.292 34.321 32.761 1.00 0.00 H -ATOM 11064 H2 TIP3A3688 42.769 32.962 32.292 1.00 0.00 H -ATOM 11065 O1 TIP3A3689 2.871 41.658 25.789 1.00 0.00 O -ATOM 11066 H1 TIP3A3689 1.924 41.781 25.720 1.00 0.00 H -ATOM 11067 H2 TIP3A3689 2.977 40.986 26.463 1.00 0.00 H -ATOM 11068 O1 TIP3A3690 26.774 40.713 27.963 1.00 0.00 O -ATOM 11069 H1 TIP3A3690 26.592 40.795 27.028 1.00 0.00 H -ATOM 11070 H2 TIP3A3690 27.629 40.283 28.004 1.00 0.00 H -ATOM 11071 O1 TIP3A3691 18.350 20.180 29.759 1.00 0.00 O -ATOM 11072 H1 TIP3A3691 17.497 19.760 29.654 1.00 0.00 H -ATOM 11073 H2 TIP3A3691 18.805 19.642 30.407 1.00 0.00 H -ATOM 11074 O1 TIP3A3692 44.696 25.038 15.474 1.00 0.00 O -ATOM 11075 H1 TIP3A3692 45.081 25.642 16.108 1.00 0.00 H -ATOM 11076 H2 TIP3A3692 45.424 24.478 15.203 1.00 0.00 H -ATOM 11077 O1 TIP3A3693 36.673 33.582 0.394 1.00 0.00 O -ATOM 11078 H1 TIP3A3693 36.810 34.527 0.344 1.00 0.00 H -ATOM 11079 H2 TIP3A3693 35.807 33.486 0.791 1.00 0.00 H -ATOM 11080 O1 TIP3A3694 13.492 35.014 43.197 1.00 0.00 O -ATOM 11081 H1 TIP3A3694 14.004 35.776 42.926 1.00 0.00 H -ATOM 11082 H2 TIP3A3694 13.105 34.684 42.386 1.00 0.00 H -ATOM 11083 O1 TIP3A3695 53.899 20.565 22.490 1.00 0.00 O -ATOM 11084 H1 TIP3A3695 52.991 20.322 22.665 1.00 0.00 H -ATOM 11085 H2 TIP3A3695 54.361 20.370 23.306 1.00 0.00 H -ATOM 11086 O1 TIP3A3696 33.798 15.293 7.166 1.00 0.00 O -ATOM 11087 H1 TIP3A3696 33.094 14.647 7.108 1.00 0.00 H -ATOM 11088 H2 TIP3A3696 34.334 14.999 7.903 1.00 0.00 H -ATOM 11089 O1 TIP3A3697 35.282 52.434 9.849 1.00 0.00 O -ATOM 11090 H1 TIP3A3697 35.946 52.165 10.483 1.00 0.00 H -ATOM 11091 H2 TIP3A3697 34.519 51.893 10.056 1.00 0.00 H -ATOM 11092 O1 TIP3A3698 46.763 54.294 34.285 1.00 0.00 O -ATOM 11093 H1 TIP3A3698 46.095 54.089 33.632 1.00 0.00 H -ATOM 11094 H2 TIP3A3698 46.271 54.436 35.095 1.00 0.00 H -ATOM 11095 O1 TIP3A3699 7.959 21.638 11.216 1.00 0.00 O -ATOM 11096 H1 TIP3A3699 8.594 22.348 11.124 1.00 0.00 H -ATOM 11097 H2 TIP3A3699 8.299 20.938 10.658 1.00 0.00 H -ATOM 11098 O1 TIP3A3700 38.242 36.264 28.258 1.00 0.00 O -ATOM 11099 H1 TIP3A3700 38.317 37.217 28.219 1.00 0.00 H -ATOM 11100 H2 TIP3A3700 37.298 36.098 28.270 1.00 0.00 H -ATOM 11101 O1 TIP3A3701 44.527 44.519 25.449 1.00 0.00 O -ATOM 11102 H1 TIP3A3701 45.053 43.872 24.981 1.00 0.00 H -ATOM 11103 H2 TIP3A3701 45.143 45.221 25.662 1.00 0.00 H -ATOM 11104 O1 TIP3A3702 31.865 16.095 34.864 1.00 0.00 O -ATOM 11105 H1 TIP3A3702 32.012 15.944 33.931 1.00 0.00 H -ATOM 11106 H2 TIP3A3702 31.388 16.925 34.901 1.00 0.00 H -ATOM 11107 O1 TIP3A3703 30.402 13.528 42.978 1.00 0.00 O -ATOM 11108 H1 TIP3A3703 30.235 13.607 43.916 1.00 0.00 H -ATOM 11109 H2 TIP3A3703 30.592 14.422 42.691 1.00 0.00 H -ATOM 11110 O1 TIP3A3704 39.898 21.499 56.399 1.00 0.00 O -ATOM 11111 H1 TIP3A3704 40.140 21.984 57.187 1.00 0.00 H -ATOM 11112 H2 TIP3A3704 40.605 20.863 56.283 1.00 0.00 H -ATOM 11113 O1 TIP3A3705 34.659 47.185 2.917 1.00 0.00 O -ATOM 11114 H1 TIP3A3705 34.223 48.004 3.149 1.00 0.00 H -ATOM 11115 H2 TIP3A3705 34.709 47.202 1.960 1.00 0.00 H -ATOM 11116 O1 TIP3A3706 0.811 45.700 8.607 1.00 0.00 O -ATOM 11117 H1 TIP3A3706 0.384 44.846 8.664 1.00 0.00 H -ATOM 11118 H2 TIP3A3706 1.514 45.660 9.256 1.00 0.00 H -ATOM 11119 O1 TIP3A3707 35.664 2.569 0.107 1.00 0.00 O -ATOM 11120 H1 TIP3A3707 35.366 1.667 -0.011 1.00 0.00 H -ATOM 11121 H2 TIP3A3707 34.875 3.099 -0.008 1.00 0.00 H -ATOM 11122 O1 TIP3A3708 13.848 23.934 19.109 1.00 0.00 O -ATOM 11123 H1 TIP3A3708 13.479 24.774 19.377 1.00 0.00 H -ATOM 11124 H2 TIP3A3708 14.128 23.522 19.927 1.00 0.00 H -ATOM 11125 O1 TIP3A3709 51.530 41.840 53.138 1.00 0.00 O -ATOM 11126 H1 TIP3A3709 51.584 42.252 54.000 1.00 0.00 H -ATOM 11127 H2 TIP3A3709 52.424 41.553 52.953 1.00 0.00 H -ATOM 11128 O1 TIP3A3710 30.753 16.391 45.133 1.00 0.00 O -ATOM 11129 H1 TIP3A3710 31.592 16.850 45.129 1.00 0.00 H -ATOM 11130 H2 TIP3A3710 30.845 15.715 44.462 1.00 0.00 H -ATOM 11131 O1 TIP3A3711 40.645 33.909 15.184 1.00 0.00 O -ATOM 11132 H1 TIP3A3711 41.442 33.693 15.668 1.00 0.00 H -ATOM 11133 H2 TIP3A3711 40.938 34.504 14.493 1.00 0.00 H -ATOM 11134 O1 TIP3A3712 15.657 44.457 3.626 1.00 0.00 O -ATOM 11135 H1 TIP3A3712 15.434 43.541 3.789 1.00 0.00 H -ATOM 11136 H2 TIP3A3712 15.143 44.695 2.853 1.00 0.00 H -ATOM 11137 O1 TIP3A3713 7.780 48.115 39.718 1.00 0.00 O -ATOM 11138 H1 TIP3A3713 6.944 48.509 39.472 1.00 0.00 H -ATOM 11139 H2 TIP3A3713 7.633 47.171 39.642 1.00 0.00 H -ATOM 11140 O1 TIP3A3714 3.804 56.105 3.465 1.00 0.00 O -ATOM 11141 H1 TIP3A3714 4.720 56.226 3.215 1.00 0.00 H -ATOM 11142 H2 TIP3A3714 3.519 55.339 2.967 1.00 0.00 H -ATOM 11143 O1 TIP3A3715 47.069 55.575 40.812 1.00 0.00 O -ATOM 11144 H1 TIP3A3715 46.498 55.386 40.069 1.00 0.00 H -ATOM 11145 H2 TIP3A3715 46.873 54.886 41.448 1.00 0.00 H -ATOM 11146 O1 TIP3A3716 45.440 30.906 15.060 1.00 0.00 O -ATOM 11147 H1 TIP3A3716 46.192 31.289 15.510 1.00 0.00 H -ATOM 11148 H2 TIP3A3716 45.759 30.716 14.177 1.00 0.00 H -ATOM 11149 O1 TIP3A3717 44.475 5.329 42.772 1.00 0.00 O -ATOM 11150 H1 TIP3A3717 43.850 5.975 42.445 1.00 0.00 H -ATOM 11151 H2 TIP3A3717 45.211 5.377 42.161 1.00 0.00 H -ATOM 11152 O1 TIP3A3718 38.853 36.729 39.525 1.00 0.00 O -ATOM 11153 H1 TIP3A3718 39.767 36.870 39.771 1.00 0.00 H -ATOM 11154 H2 TIP3A3718 38.898 36.210 38.721 1.00 0.00 H -ATOM 11155 O1 TIP3A3719 39.450 11.796 28.638 1.00 0.00 O -ATOM 11156 H1 TIP3A3719 40.342 12.111 28.780 1.00 0.00 H -ATOM 11157 H2 TIP3A3719 39.292 11.187 29.360 1.00 0.00 H -ATOM 11158 O1 TIP3A3720 13.265 9.017 3.164 1.00 0.00 O -ATOM 11159 H1 TIP3A3720 13.617 8.175 2.876 1.00 0.00 H -ATOM 11160 H2 TIP3A3720 12.495 9.156 2.611 1.00 0.00 H -ATOM 11161 O1 TIP3A3721 35.752 15.360 16.687 1.00 0.00 O -ATOM 11162 H1 TIP3A3721 35.952 15.017 17.557 1.00 0.00 H -ATOM 11163 H2 TIP3A3721 34.926 14.939 16.447 1.00 0.00 H -ATOM 11164 O1 TIP3A3722 14.215 39.709 29.663 1.00 0.00 O -ATOM 11165 H1 TIP3A3722 14.166 40.581 30.053 1.00 0.00 H -ATOM 11166 H2 TIP3A3722 15.011 39.325 30.032 1.00 0.00 H -ATOM 11167 O1 TIP3A3723 57.227 20.697 45.528 1.00 0.00 O -ATOM 11168 H1 TIP3A3723 57.914 20.382 46.114 1.00 0.00 H -ATOM 11169 H2 TIP3A3723 56.661 21.232 46.086 1.00 0.00 H -ATOM 11170 O1 TIP3A3724 9.189 37.913 34.725 1.00 0.00 O -ATOM 11171 H1 TIP3A3724 9.536 37.568 35.547 1.00 0.00 H -ATOM 11172 H2 TIP3A3724 8.343 38.294 34.963 1.00 0.00 H -ATOM 11173 O1 TIP3A3725 24.310 28.374 39.251 1.00 0.00 O -ATOM 11174 H1 TIP3A3725 23.838 28.748 39.994 1.00 0.00 H -ATOM 11175 H2 TIP3A3725 23.723 27.698 38.910 1.00 0.00 H -ATOM 11176 O1 TIP3A3726 0.135 41.050 6.795 1.00 0.00 O -ATOM 11177 H1 TIP3A3726 0.000 41.758 7.424 1.00 0.00 H -ATOM 11178 H2 TIP3A3726 1.079 41.050 6.631 1.00 0.00 H -ATOM 11179 O1 TIP3A3727 51.572 42.521 8.293 1.00 0.00 O -ATOM 11180 H1 TIP3A3727 51.526 43.463 8.129 1.00 0.00 H -ATOM 11181 H2 TIP3A3727 52.502 42.308 8.212 1.00 0.00 H -ATOM 11182 O1 TIP3A3728 37.157 21.307 42.086 1.00 0.00 O -ATOM 11183 H1 TIP3A3728 38.038 21.644 42.241 1.00 0.00 H -ATOM 11184 H2 TIP3A3728 36.658 22.067 41.785 1.00 0.00 H -ATOM 11185 O1 TIP3A3729 5.918 39.036 43.338 1.00 0.00 O -ATOM 11186 H1 TIP3A3729 5.105 39.499 43.539 1.00 0.00 H -ATOM 11187 H2 TIP3A3729 6.507 39.717 43.010 1.00 0.00 H -ATOM 11188 O1 TIP3A3730 49.441 44.030 18.684 1.00 0.00 O -ATOM 11189 H1 TIP3A3730 49.509 44.315 19.594 1.00 0.00 H -ATOM 11190 H2 TIP3A3730 48.556 44.283 18.419 1.00 0.00 H -ATOM 11191 O1 TIP3A3731 36.839 56.122 44.265 1.00 0.00 O -ATOM 11192 H1 TIP3A3731 36.712 55.357 44.826 1.00 0.00 H -ATOM 11193 H2 TIP3A3731 36.313 56.810 44.674 1.00 0.00 H -ATOM 11194 O1 TIP3A3732 13.736 55.640 29.281 1.00 0.00 O -ATOM 11195 H1 TIP3A3732 13.023 55.023 29.439 1.00 0.00 H -ATOM 11196 H2 TIP3A3732 14.155 55.747 30.135 1.00 0.00 H -ATOM 11197 O1 TIP3A3733 40.725 36.264 3.544 1.00 0.00 O -ATOM 11198 H1 TIP3A3733 40.680 36.022 4.468 1.00 0.00 H -ATOM 11199 H2 TIP3A3733 40.980 37.187 3.549 1.00 0.00 H -ATOM 11200 O1 TIP3A3734 15.514 7.850 11.406 1.00 0.00 O -ATOM 11201 H1 TIP3A3734 14.572 7.928 11.553 1.00 0.00 H -ATOM 11202 H2 TIP3A3734 15.874 8.686 11.704 1.00 0.00 H -ATOM 11203 O1 TIP3A3735 16.507 6.059 37.416 1.00 0.00 O -ATOM 11204 H1 TIP3A3735 17.433 6.241 37.574 1.00 0.00 H -ATOM 11205 H2 TIP3A3735 16.502 5.489 36.646 1.00 0.00 H -ATOM 11206 O1 TIP3A3736 27.814 42.555 21.067 1.00 0.00 O -ATOM 11207 H1 TIP3A3736 28.713 42.300 20.865 1.00 0.00 H -ATOM 11208 H2 TIP3A3736 27.707 42.345 21.995 1.00 0.00 H -ATOM 11209 O1 TIP3A3737 54.089 25.522 18.410 1.00 0.00 O -ATOM 11210 H1 TIP3A3737 53.382 25.782 17.820 1.00 0.00 H -ATOM 11211 H2 TIP3A3737 54.607 24.896 17.903 1.00 0.00 H -ATOM 11212 O1 TIP3A3738 52.413 32.838 26.732 1.00 0.00 O -ATOM 11213 H1 TIP3A3738 53.362 32.841 26.609 1.00 0.00 H -ATOM 11214 H2 TIP3A3738 52.169 33.764 26.740 1.00 0.00 H -ATOM 11215 O1 TIP3A3739 37.166 48.317 13.236 1.00 0.00 O -ATOM 11216 H1 TIP3A3739 37.103 49.269 13.167 1.00 0.00 H -ATOM 11217 H2 TIP3A3739 37.679 48.055 12.470 1.00 0.00 H -ATOM 11218 O1 TIP3A3740 49.715 51.059 19.887 1.00 0.00 O -ATOM 11219 H1 TIP3A3740 50.360 51.587 20.357 1.00 0.00 H -ATOM 11220 H2 TIP3A3740 48.881 51.269 20.307 1.00 0.00 H -ATOM 11221 O1 TIP3A3741 8.414 10.878 43.695 1.00 0.00 O -ATOM 11222 H1 TIP3A3741 8.208 11.812 43.707 1.00 0.00 H -ATOM 11223 H2 TIP3A3741 7.808 10.490 44.327 1.00 0.00 H -ATOM 11224 O1 TIP3A3742 50.707 37.842 47.514 1.00 0.00 O -ATOM 11225 H1 TIP3A3742 51.240 37.232 47.006 1.00 0.00 H -ATOM 11226 H2 TIP3A3742 51.220 38.007 48.306 1.00 0.00 H -ATOM 11227 O1 TIP3A3743 40.498 44.375 0.353 1.00 0.00 O -ATOM 11228 H1 TIP3A3743 40.299 44.280 1.283 1.00 0.00 H -ATOM 11229 H2 TIP3A3743 41.093 43.651 0.158 1.00 0.00 H -ATOM 11230 O1 TIP3A3744 39.994 21.828 20.456 1.00 0.00 O -ATOM 11231 H1 TIP3A3744 39.521 22.510 20.931 1.00 0.00 H -ATOM 11232 H2 TIP3A3744 39.547 21.769 19.611 1.00 0.00 H -ATOM 11233 O1 TIP3A3745 14.664 12.011 10.280 1.00 0.00 O -ATOM 11234 H1 TIP3A3745 14.626 12.965 10.230 1.00 0.00 H -ATOM 11235 H2 TIP3A3745 15.338 11.764 9.646 1.00 0.00 H -ATOM 11236 O1 TIP3A3746 2.365 13.991 17.388 1.00 0.00 O -ATOM 11237 H1 TIP3A3746 2.378 14.648 16.694 1.00 0.00 H -ATOM 11238 H2 TIP3A3746 2.200 14.490 18.189 1.00 0.00 H -ATOM 11239 O1 TIP3A3747 16.216 3.670 22.212 1.00 0.00 O -ATOM 11240 H1 TIP3A3747 17.134 3.681 21.942 1.00 0.00 H -ATOM 11241 H2 TIP3A3747 15.857 2.878 21.810 1.00 0.00 H -ATOM 11242 O1 TIP3A3748 11.841 13.612 50.815 1.00 0.00 O -ATOM 11243 H1 TIP3A3748 12.451 13.230 50.185 1.00 0.00 H -ATOM 11244 H2 TIP3A3748 10.984 13.269 50.557 1.00 0.00 H -ATOM 11245 O1 TIP3A3749 3.228 26.532 3.604 1.00 0.00 O -ATOM 11246 H1 TIP3A3749 2.908 26.264 4.465 1.00 0.00 H -ATOM 11247 H2 TIP3A3749 2.557 27.130 3.274 1.00 0.00 H -ATOM 11248 O1 TIP3A3750 24.544 13.619 9.424 1.00 0.00 O -ATOM 11249 H1 TIP3A3750 24.469 14.567 9.320 1.00 0.00 H -ATOM 11250 H2 TIP3A3750 24.201 13.445 10.301 1.00 0.00 H -ATOM 11251 O1 TIP3A3751 50.408 30.131 19.986 1.00 0.00 O -ATOM 11252 H1 TIP3A3751 49.793 29.400 19.939 1.00 0.00 H -ATOM 11253 H2 TIP3A3751 50.070 30.770 19.358 1.00 0.00 H -ATOM 11254 O1 TIP3A3752 21.826 28.020 50.969 1.00 0.00 O -ATOM 11255 H1 TIP3A3752 20.927 27.816 50.715 1.00 0.00 H -ATOM 11256 H2 TIP3A3752 22.190 27.183 51.260 1.00 0.00 H -ATOM 11257 O1 TIP3A3753 23.806 39.158 19.104 1.00 0.00 O -ATOM 11258 H1 TIP3A3753 23.072 38.855 19.637 1.00 0.00 H -ATOM 11259 H2 TIP3A3753 24.488 38.499 19.238 1.00 0.00 H -ATOM 11260 O1 TIP3A3754 11.664 35.432 35.790 1.00 0.00 O -ATOM 11261 H1 TIP3A3754 10.733 35.640 35.860 1.00 0.00 H -ATOM 11262 H2 TIP3A3754 11.991 36.018 35.107 1.00 0.00 H -ATOM 11263 O1 TIP3A3755 33.369 36.027 11.456 1.00 0.00 O -ATOM 11264 H1 TIP3A3755 34.292 35.783 11.395 1.00 0.00 H -ATOM 11265 H2 TIP3A3755 33.360 36.789 12.036 1.00 0.00 H -ATOM 11266 O1 TIP3A3756 46.869 53.095 27.142 1.00 0.00 O -ATOM 11267 H1 TIP3A3756 46.863 52.192 27.459 1.00 0.00 H -ATOM 11268 H2 TIP3A3756 47.215 53.605 27.875 1.00 0.00 H -ATOM 11269 O1 TIP3A3757 16.230 17.391 53.773 1.00 0.00 O -ATOM 11270 H1 TIP3A3757 15.593 17.765 53.166 1.00 0.00 H -ATOM 11271 H2 TIP3A3757 16.283 16.467 53.527 1.00 0.00 H -ATOM 11272 O1 TIP3A3758 52.028 12.901 1.830 1.00 0.00 O -ATOM 11273 H1 TIP3A3758 51.667 12.154 1.353 1.00 0.00 H -ATOM 11274 H2 TIP3A3758 52.129 13.584 1.165 1.00 0.00 H -ATOM 11275 O1 TIP3A3759 38.701 53.333 2.662 1.00 0.00 O -ATOM 11276 H1 TIP3A3759 38.426 53.754 3.476 1.00 0.00 H -ATOM 11277 H2 TIP3A3759 39.513 53.779 2.422 1.00 0.00 H -ATOM 11278 O1 TIP3A3760 1.232 12.229 19.986 1.00 0.00 O -ATOM 11279 H1 TIP3A3760 1.089 13.156 20.175 1.00 0.00 H -ATOM 11280 H2 TIP3A3760 1.828 12.226 19.237 1.00 0.00 H -ATOM 11281 O1 TIP3A3761 36.590 10.842 9.537 1.00 0.00 O -ATOM 11282 H1 TIP3A3761 35.644 10.791 9.668 1.00 0.00 H -ATOM 11283 H2 TIP3A3761 36.942 11.054 10.402 1.00 0.00 H -ATOM 11284 O1 TIP3A3762 44.444 53.201 54.314 1.00 0.00 O -ATOM 11285 H1 TIP3A3762 45.380 53.393 54.280 1.00 0.00 H -ATOM 11286 H2 TIP3A3762 44.348 52.383 53.825 1.00 0.00 H -ATOM 11287 O1 TIP3A3763 42.256 32.462 34.523 1.00 0.00 O -ATOM 11288 H1 TIP3A3763 41.590 33.075 34.832 1.00 0.00 H -ATOM 11289 H2 TIP3A3763 42.562 32.021 35.317 1.00 0.00 H -ATOM 11290 O1 TIP3A3764 33.647 31.656 4.877 1.00 0.00 O -ATOM 11291 H1 TIP3A3764 34.090 31.283 5.639 1.00 0.00 H -ATOM 11292 H2 TIP3A3764 33.541 32.583 5.091 1.00 0.00 H -ATOM 11293 O1 TIP3A3765 9.896 51.738 50.529 1.00 0.00 O -ATOM 11294 H1 TIP3A3765 9.659 51.345 51.368 1.00 0.00 H -ATOM 11295 H2 TIP3A3765 9.097 51.680 50.003 1.00 0.00 H -ATOM 11296 O1 TIP3A3766 14.093 31.211 25.998 1.00 0.00 O -ATOM 11297 H1 TIP3A3766 15.046 31.240 25.930 1.00 0.00 H -ATOM 11298 H2 TIP3A3766 13.925 30.887 26.883 1.00 0.00 H -ATOM 11299 O1 TIP3A3767 53.836 42.630 6.411 1.00 0.00 O -ATOM 11300 H1 TIP3A3767 54.615 42.568 5.859 1.00 0.00 H -ATOM 11301 H2 TIP3A3767 53.349 41.826 6.230 1.00 0.00 H -ATOM 11302 O1 TIP3A3768 34.451 2.838 7.288 1.00 0.00 O -ATOM 11303 H1 TIP3A3768 35.154 3.434 7.032 1.00 0.00 H -ATOM 11304 H2 TIP3A3768 33.968 3.312 7.966 1.00 0.00 H -ATOM 11305 O1 TIP3A3769 45.629 48.688 49.633 1.00 0.00 O -ATOM 11306 H1 TIP3A3769 44.720 48.814 49.363 1.00 0.00 H -ATOM 11307 H2 TIP3A3769 45.583 48.036 50.333 1.00 0.00 H -ATOM 11308 O1 TIP3A3770 55.237 9.894 21.781 1.00 0.00 O -ATOM 11309 H1 TIP3A3770 55.774 10.532 22.250 1.00 0.00 H -ATOM 11310 H2 TIP3A3770 54.442 9.814 22.308 1.00 0.00 H -ATOM 11311 O1 TIP3A3771 22.882 57.096 51.907 1.00 0.00 O -ATOM 11312 H1 TIP3A3771 22.854 57.539 51.059 1.00 0.00 H -ATOM 11313 H2 TIP3A3771 22.680 57.783 52.543 1.00 0.00 H -ATOM 11314 O1 TIP3A3772 7.741 42.157 51.596 1.00 0.00 O -ATOM 11315 H1 TIP3A3772 7.379 41.797 52.405 1.00 0.00 H -ATOM 11316 H2 TIP3A3772 8.398 41.516 51.321 1.00 0.00 H -ATOM 11317 O1 TIP3A3773 17.502 27.460 21.778 1.00 0.00 O -ATOM 11318 H1 TIP3A3773 17.893 28.155 21.251 1.00 0.00 H -ATOM 11319 H2 TIP3A3773 17.290 27.882 22.612 1.00 0.00 H -ATOM 11320 O1 TIP3A3774 11.985 45.154 20.911 1.00 0.00 O -ATOM 11321 H1 TIP3A3774 12.094 45.751 21.650 1.00 0.00 H -ATOM 11322 H2 TIP3A3774 11.569 44.378 21.289 1.00 0.00 H -ATOM 11323 O1 TIP3A3775 3.321 45.569 17.496 1.00 0.00 O -ATOM 11324 H1 TIP3A3775 4.070 46.163 17.448 1.00 0.00 H -ATOM 11325 H2 TIP3A3775 3.575 44.818 16.959 1.00 0.00 H -ATOM 11326 O1 TIP3A3776 28.524 23.716 43.604 1.00 0.00 O -ATOM 11327 H1 TIP3A3776 28.081 23.845 44.442 1.00 0.00 H -ATOM 11328 H2 TIP3A3776 27.923 24.086 42.956 1.00 0.00 H -ATOM 11329 O1 TIP3A3777 25.321 4.601 49.831 1.00 0.00 O -ATOM 11330 H1 TIP3A3777 24.550 4.034 49.826 1.00 0.00 H -ATOM 11331 H2 TIP3A3777 26.008 4.075 49.421 1.00 0.00 H -ATOM 11332 O1 TIP3A3778 20.783 47.846 30.113 1.00 0.00 O -ATOM 11333 H1 TIP3A3778 21.206 47.896 29.257 1.00 0.00 H -ATOM 11334 H2 TIP3A3778 21.498 47.670 30.725 1.00 0.00 H -ATOM 11335 O1 TIP3A3779 46.627 37.678 46.888 1.00 0.00 O -ATOM 11336 H1 TIP3A3779 46.703 38.623 46.760 1.00 0.00 H -ATOM 11337 H2 TIP3A3779 47.259 37.301 46.275 1.00 0.00 H -ATOM 11338 O1 TIP3A3780 50.060 48.341 4.985 1.00 0.00 O -ATOM 11339 H1 TIP3A3780 49.148 48.630 4.981 1.00 0.00 H -ATOM 11340 H2 TIP3A3780 50.148 47.834 5.792 1.00 0.00 H -ATOM 11341 O1 TIP3A3781 10.778 50.578 21.079 1.00 0.00 O -ATOM 11342 H1 TIP3A3781 10.088 50.982 20.554 1.00 0.00 H -ATOM 11343 H2 TIP3A3781 10.492 50.698 21.985 1.00 0.00 H -ATOM 11344 O1 TIP3A3782 9.456 9.822 36.916 1.00 0.00 O -ATOM 11345 H1 TIP3A3782 9.324 10.277 37.747 1.00 0.00 H -ATOM 11346 H2 TIP3A3782 8.816 10.215 36.322 1.00 0.00 H -ATOM 11347 O1 TIP3A3783 11.342 36.156 0.873 1.00 0.00 O -ATOM 11348 H1 TIP3A3783 10.673 36.834 0.789 1.00 0.00 H -ATOM 11349 H2 TIP3A3783 11.663 36.024 -0.020 1.00 0.00 H -ATOM 11350 O1 TIP3A3784 47.399 25.252 39.415 1.00 0.00 O -ATOM 11351 H1 TIP3A3784 46.515 24.889 39.356 1.00 0.00 H -ATOM 11352 H2 TIP3A3784 47.591 25.264 40.353 1.00 0.00 H -ATOM 11353 O1 TIP3A3785 33.573 44.069 43.612 1.00 0.00 O -ATOM 11354 H1 TIP3A3785 34.434 44.485 43.578 1.00 0.00 H -ATOM 11355 H2 TIP3A3785 32.972 44.735 43.277 1.00 0.00 H -ATOM 11356 O1 TIP3A3786 25.342 23.645 33.737 1.00 0.00 O -ATOM 11357 H1 TIP3A3786 25.303 22.950 33.081 1.00 0.00 H -ATOM 11358 H2 TIP3A3786 24.919 24.395 33.318 1.00 0.00 H -ATOM 11359 O1 TIP3A3787 28.050 45.037 42.511 1.00 0.00 O -ATOM 11360 H1 TIP3A3787 28.926 45.249 42.192 1.00 0.00 H -ATOM 11361 H2 TIP3A3787 28.184 44.773 43.422 1.00 0.00 H -ATOM 11362 O1 TIP3A3788 15.345 -0.012 37.861 1.00 0.00 O -ATOM 11363 H1 TIP3A3788 14.858 0.734 38.210 1.00 0.00 H -ATOM 11364 H2 TIP3A3788 15.911 0.366 37.187 1.00 0.00 H -ATOM 11365 O1 TIP3A3789 51.687 20.968 16.261 1.00 0.00 O -ATOM 11366 H1 TIP3A3789 51.063 21.096 16.974 1.00 0.00 H -ATOM 11367 H2 TIP3A3789 51.146 20.729 15.508 1.00 0.00 H -ATOM 11368 O1 TIP3A3790 4.817 22.717 42.323 1.00 0.00 O -ATOM 11369 H1 TIP3A3790 3.866 22.729 42.225 1.00 0.00 H -ATOM 11370 H2 TIP3A3790 5.129 23.387 41.713 1.00 0.00 H -ATOM 11371 O1 TIP3A3791 8.163 55.995 54.672 1.00 0.00 O -ATOM 11372 H1 TIP3A3791 8.077 55.090 54.373 1.00 0.00 H -ATOM 11373 H2 TIP3A3791 7.570 56.492 54.106 1.00 0.00 H -ATOM 11374 O1 TIP3A3792 49.298 18.253 8.308 1.00 0.00 O -ATOM 11375 H1 TIP3A3792 48.942 18.362 9.189 1.00 0.00 H -ATOM 11376 H2 TIP3A3792 49.821 17.452 8.358 1.00 0.00 H -ATOM 11377 O1 TIP3A3793 31.964 14.514 40.083 1.00 0.00 O -ATOM 11378 H1 TIP3A3793 32.279 14.506 40.986 1.00 0.00 H -ATOM 11379 H2 TIP3A3793 31.015 14.403 40.158 1.00 0.00 H -ATOM 11380 O1 TIP3A3794 4.638 29.558 20.874 1.00 0.00 O -ATOM 11381 H1 TIP3A3794 4.271 29.345 21.731 1.00 0.00 H -ATOM 11382 H2 TIP3A3794 4.130 30.313 20.576 1.00 0.00 H -ATOM 11383 O1 TIP3A3795 15.659 36.908 37.773 1.00 0.00 O -ATOM 11384 H1 TIP3A3795 14.950 36.270 37.699 1.00 0.00 H -ATOM 11385 H2 TIP3A3795 15.382 37.640 37.223 1.00 0.00 H -ATOM 11386 O1 TIP3A3796 23.194 49.061 12.435 1.00 0.00 O -ATOM 11387 H1 TIP3A3796 23.025 48.718 11.558 1.00 0.00 H -ATOM 11388 H2 TIP3A3796 23.471 48.297 12.942 1.00 0.00 H -ATOM 11389 O1 TIP3A3797 43.526 21.683 34.831 1.00 0.00 O -ATOM 11390 H1 TIP3A3797 43.431 22.608 35.054 1.00 0.00 H -ATOM 11391 H2 TIP3A3797 44.104 21.678 34.068 1.00 0.00 H -ATOM 11392 O1 TIP3A3798 9.330 12.394 5.055 1.00 0.00 O -ATOM 11393 H1 TIP3A3798 8.392 12.568 4.992 1.00 0.00 H -ATOM 11394 H2 TIP3A3798 9.536 11.893 4.265 1.00 0.00 H -ATOM 11395 O1 TIP3A3799 26.303 0.913 20.744 1.00 0.00 O -ATOM 11396 H1 TIP3A3799 27.010 0.272 20.814 1.00 0.00 H -ATOM 11397 H2 TIP3A3799 26.473 1.537 21.450 1.00 0.00 H -ATOM 11398 O1 TIP3A3800 2.162 10.772 17.040 1.00 0.00 O -ATOM 11399 H1 TIP3A3800 1.227 10.695 17.228 1.00 0.00 H -ATOM 11400 H2 TIP3A3800 2.338 11.713 17.083 1.00 0.00 H -ATOM 11401 O1 TIP3A3801 6.659 12.415 6.521 1.00 0.00 O -ATOM 11402 H1 TIP3A3801 6.759 11.493 6.758 1.00 0.00 H -ATOM 11403 H2 TIP3A3801 6.471 12.857 7.349 1.00 0.00 H -ATOM 11404 O1 TIP3A3802 36.717 38.497 55.603 1.00 0.00 O -ATOM 11405 H1 TIP3A3802 37.557 38.049 55.513 1.00 0.00 H -ATOM 11406 H2 TIP3A3802 36.173 38.131 54.905 1.00 0.00 H -ATOM 11407 O1 TIP3A3803 21.758 52.279 9.548 1.00 0.00 O -ATOM 11408 H1 TIP3A3803 22.248 52.067 8.754 1.00 0.00 H -ATOM 11409 H2 TIP3A3803 22.064 53.153 9.793 1.00 0.00 H -ATOM 11410 O1 TIP3A3804 40.574 51.986 4.281 1.00 0.00 O -ATOM 11411 H1 TIP3A3804 39.637 51.797 4.315 1.00 0.00 H -ATOM 11412 H2 TIP3A3804 40.752 52.151 3.354 1.00 0.00 H -ATOM 11413 O1 TIP3A3805 45.646 49.593 15.674 1.00 0.00 O -ATOM 11414 H1 TIP3A3805 46.588 49.718 15.779 1.00 0.00 H -ATOM 11415 H2 TIP3A3805 45.567 48.835 15.095 1.00 0.00 H -ATOM 11416 O1 TIP3A3806 2.717 21.715 4.010 1.00 0.00 O -ATOM 11417 H1 TIP3A3806 3.623 21.408 4.027 1.00 0.00 H -ATOM 11418 H2 TIP3A3806 2.692 22.424 4.653 1.00 0.00 H -ATOM 11419 O1 TIP3A3807 50.955 2.688 54.116 1.00 0.00 O -ATOM 11420 H1 TIP3A3807 51.783 2.287 54.378 1.00 0.00 H -ATOM 11421 H2 TIP3A3807 51.210 3.425 53.560 1.00 0.00 H -ATOM 11422 O1 TIP3A3808 37.960 36.735 10.242 1.00 0.00 O -ATOM 11423 H1 TIP3A3808 38.572 36.000 10.244 1.00 0.00 H -ATOM 11424 H2 TIP3A3808 37.274 36.474 9.626 1.00 0.00 H -ATOM 11425 O1 TIP3A3809 50.484 0.667 44.832 1.00 0.00 O -ATOM 11426 H1 TIP3A3809 49.972 1.475 44.790 1.00 0.00 H -ATOM 11427 H2 TIP3A3809 51.177 0.788 44.183 1.00 0.00 H -ATOM 11428 O1 TIP3A3810 51.861 11.892 34.837 1.00 0.00 O -ATOM 11429 H1 TIP3A3810 52.509 11.204 34.986 1.00 0.00 H -ATOM 11430 H2 TIP3A3810 52.197 12.647 35.321 1.00 0.00 H -ATOM 11431 O1 TIP3A3811 22.464 12.212 50.216 1.00 0.00 O -ATOM 11432 H1 TIP3A3811 21.526 12.027 50.216 1.00 0.00 H -ATOM 11433 H2 TIP3A3811 22.838 11.556 50.805 1.00 0.00 H -ATOM 11434 O1 TIP3A3812 35.528 51.878 53.641 1.00 0.00 O -ATOM 11435 H1 TIP3A3812 35.239 52.528 53.003 1.00 0.00 H -ATOM 11436 H2 TIP3A3812 34.977 51.113 53.472 1.00 0.00 H -ATOM 11437 O1 TIP3A3813 30.342 12.679 27.649 1.00 0.00 O -ATOM 11438 H1 TIP3A3813 29.670 12.008 27.759 1.00 0.00 H -ATOM 11439 H2 TIP3A3813 31.030 12.435 28.269 1.00 0.00 H -ATOM 11440 O1 TIP3A3814 48.694 10.780 38.768 1.00 0.00 O -ATOM 11441 H1 TIP3A3814 49.628 10.788 38.565 1.00 0.00 H -ATOM 11442 H2 TIP3A3814 48.565 11.537 39.340 1.00 0.00 H -ATOM 11443 O1 TIP3A3815 57.506 43.228 44.291 1.00 0.00 O -ATOM 11444 H1 TIP3A3815 58.005 43.730 44.934 1.00 0.00 H -ATOM 11445 H2 TIP3A3815 56.590 43.379 44.527 1.00 0.00 H -ATOM 11446 O1 TIP3A3816 9.149 37.423 3.196 1.00 0.00 O -ATOM 11447 H1 TIP3A3816 9.006 37.405 4.142 1.00 0.00 H -ATOM 11448 H2 TIP3A3816 8.629 38.167 2.889 1.00 0.00 H -ATOM 11449 O1 TIP3A3817 43.540 32.154 25.228 1.00 0.00 O -ATOM 11450 H1 TIP3A3817 42.912 32.276 24.517 1.00 0.00 H -ATOM 11451 H2 TIP3A3817 43.912 33.025 25.372 1.00 0.00 H -ATOM 11452 O1 TIP3A3818 4.935 7.910 37.558 1.00 0.00 O -ATOM 11453 H1 TIP3A3818 4.198 8.470 37.801 1.00 0.00 H -ATOM 11454 H2 TIP3A3818 5.067 8.078 36.625 1.00 0.00 H -ATOM 11455 O1 TIP3A3819 42.233 1.707 38.379 1.00 0.00 O -ATOM 11456 H1 TIP3A3819 43.068 1.306 38.138 1.00 0.00 H -ATOM 11457 H2 TIP3A3819 41.608 1.365 37.739 1.00 0.00 H -ATOM 11458 O1 TIP3A3820 25.635 35.192 25.575 1.00 0.00 O -ATOM 11459 H1 TIP3A3820 25.670 35.362 26.516 1.00 0.00 H -ATOM 11460 H2 TIP3A3820 25.580 34.239 25.506 1.00 0.00 H -ATOM 11461 O1 TIP3A3821 24.217 8.217 28.819 1.00 0.00 O -ATOM 11462 H1 TIP3A3821 24.901 8.568 29.387 1.00 0.00 H -ATOM 11463 H2 TIP3A3821 23.492 8.837 28.905 1.00 0.00 H -ATOM 11464 O1 TIP3A3822 24.919 52.488 25.268 1.00 0.00 O -ATOM 11465 H1 TIP3A3822 23.979 52.633 25.164 1.00 0.00 H -ATOM 11466 H2 TIP3A3822 25.327 53.190 24.761 1.00 0.00 H -ATOM 11467 O1 TIP3A3823 38.685 23.953 56.899 1.00 0.00 O -ATOM 11468 H1 TIP3A3823 38.017 23.271 56.840 1.00 0.00 H -ATOM 11469 H2 TIP3A3823 38.254 24.740 56.564 1.00 0.00 H -ATOM 11470 O1 TIP3A3824 6.915 0.604 43.367 1.00 0.00 O -ATOM 11471 H1 TIP3A3824 7.630 -0.000 43.169 1.00 0.00 H -ATOM 11472 H2 TIP3A3824 6.195 0.317 42.806 1.00 0.00 H -ATOM 11473 O1 TIP3A3825 39.271 29.540 15.156 1.00 0.00 O -ATOM 11474 H1 TIP3A3825 39.393 28.592 15.110 1.00 0.00 H -ATOM 11475 H2 TIP3A3825 39.283 29.829 14.243 1.00 0.00 H -ATOM 11476 O1 TIP3A3826 1.770 36.894 16.350 1.00 0.00 O -ATOM 11477 H1 TIP3A3826 2.454 37.544 16.502 1.00 0.00 H -ATOM 11478 H2 TIP3A3826 1.951 36.556 15.472 1.00 0.00 H -ATOM 11479 O1 TIP3A3827 36.279 43.131 18.532 1.00 0.00 O -ATOM 11480 H1 TIP3A3827 35.495 42.690 18.207 1.00 0.00 H -ATOM 11481 H2 TIP3A3827 36.541 43.712 17.818 1.00 0.00 H -ATOM 11482 O1 TIP3A3828 50.412 6.048 10.833 1.00 0.00 O -ATOM 11483 H1 TIP3A3828 51.073 6.711 11.029 1.00 0.00 H -ATOM 11484 H2 TIP3A3828 50.729 5.620 10.038 1.00 0.00 H -ATOM 11485 O1 TIP3A3829 37.239 37.356 52.781 1.00 0.00 O -ATOM 11486 H1 TIP3A3829 37.896 37.254 53.469 1.00 0.00 H -ATOM 11487 H2 TIP3A3829 37.646 36.975 52.002 1.00 0.00 H -ATOM 11488 O1 TIP3A3830 57.417 7.293 35.184 1.00 0.00 O -ATOM 11489 H1 TIP3A3830 58.000 6.574 35.425 1.00 0.00 H -ATOM 11490 H2 TIP3A3830 58.000 8.044 35.062 1.00 0.00 H -ATOM 11491 O1 TIP3A3831 27.127 51.352 22.270 1.00 0.00 O -ATOM 11492 H1 TIP3A3831 26.331 51.662 21.840 1.00 0.00 H -ATOM 11493 H2 TIP3A3831 27.837 51.808 21.818 1.00 0.00 H -ATOM 11494 O1 TIP3A3832 24.304 32.072 54.877 1.00 0.00 O -ATOM 11495 H1 TIP3A3832 24.267 32.231 55.819 1.00 0.00 H -ATOM 11496 H2 TIP3A3832 25.113 31.575 54.748 1.00 0.00 H -ATOM 11497 O1 TIP3A3833 4.060 29.447 24.026 1.00 0.00 O -ATOM 11498 H1 TIP3A3833 4.479 30.302 24.125 1.00 0.00 H -ATOM 11499 H2 TIP3A3833 3.122 29.637 24.039 1.00 0.00 H -ATOM 11500 O1 TIP3A3834 9.832 33.884 9.264 1.00 0.00 O -ATOM 11501 H1 TIP3A3834 10.642 34.262 8.924 1.00 0.00 H -ATOM 11502 H2 TIP3A3834 9.310 33.695 8.483 1.00 0.00 H -ATOM 11503 O1 TIP3A3835 50.976 40.859 17.558 1.00 0.00 O -ATOM 11504 H1 TIP3A3835 51.927 40.920 17.472 1.00 0.00 H -ATOM 11505 H2 TIP3A3835 50.671 40.618 16.683 1.00 0.00 H -ATOM 11506 O1 TIP3A3836 16.481 22.024 7.248 1.00 0.00 O -ATOM 11507 H1 TIP3A3836 17.062 22.216 7.984 1.00 0.00 H -ATOM 11508 H2 TIP3A3836 15.763 21.521 7.634 1.00 0.00 H -ATOM 11509 O1 TIP3A3837 16.190 56.453 34.494 1.00 0.00 O -ATOM 11510 H1 TIP3A3837 16.600 55.604 34.660 1.00 0.00 H -ATOM 11511 H2 TIP3A3837 15.421 56.248 33.962 1.00 0.00 H -ATOM 11512 O1 TIP3A3838 28.549 56.853 52.895 1.00 0.00 O -ATOM 11513 H1 TIP3A3838 28.856 57.572 52.344 1.00 0.00 H -ATOM 11514 H2 TIP3A3838 29.177 56.146 52.740 1.00 0.00 H -ATOM 11515 O1 TIP3A3839 38.641 14.102 9.774 1.00 0.00 O -ATOM 11516 H1 TIP3A3839 38.823 14.804 9.151 1.00 0.00 H -ATOM 11517 H2 TIP3A3839 38.706 13.299 9.257 1.00 0.00 H -ATOM 11518 O1 TIP3A3840 46.074 52.147 16.954 1.00 0.00 O -ATOM 11519 H1 TIP3A3840 46.302 53.060 17.126 1.00 0.00 H -ATOM 11520 H2 TIP3A3840 46.744 51.843 16.342 1.00 0.00 H -ATOM 11521 O1 TIP3A3841 38.573 0.123 9.648 1.00 0.00 O -ATOM 11522 H1 TIP3A3841 38.002 0.681 9.121 1.00 0.00 H -ATOM 11523 H2 TIP3A3841 38.097 -0.000 10.470 1.00 0.00 H -ATOM 11524 O1 TIP3A3842 2.243 15.611 3.849 1.00 0.00 O -ATOM 11525 H1 TIP3A3842 2.004 15.181 3.029 1.00 0.00 H -ATOM 11526 H2 TIP3A3842 1.773 16.445 3.829 1.00 0.00 H -ATOM 11527 O1 TIP3A3843 13.157 6.579 56.596 1.00 0.00 O -ATOM 11528 H1 TIP3A3843 12.219 6.648 56.770 1.00 0.00 H -ATOM 11529 H2 TIP3A3843 13.347 7.314 56.012 1.00 0.00 H -ATOM 11530 O1 TIP3A3844 56.148 31.941 25.893 1.00 0.00 O -ATOM 11531 H1 TIP3A3844 55.723 31.161 25.540 1.00 0.00 H -ATOM 11532 H2 TIP3A3844 55.736 32.074 26.747 1.00 0.00 H -ATOM 11533 O1 TIP3A3845 4.548 22.438 10.224 1.00 0.00 O -ATOM 11534 H1 TIP3A3845 5.501 22.505 10.254 1.00 0.00 H -ATOM 11535 H2 TIP3A3845 4.241 23.080 10.865 1.00 0.00 H -ATOM 11536 O1 TIP3A3846 54.269 12.420 21.199 1.00 0.00 O -ATOM 11537 H1 TIP3A3846 55.225 12.420 21.167 1.00 0.00 H -ATOM 11538 H2 TIP3A3846 54.019 11.547 20.896 1.00 0.00 H -ATOM 11539 O1 TIP3A3847 36.810 27.241 43.968 1.00 0.00 O -ATOM 11540 H1 TIP3A3847 36.847 26.315 43.731 1.00 0.00 H -ATOM 11541 H2 TIP3A3847 37.493 27.347 44.631 1.00 0.00 H -ATOM 11542 O1 TIP3A3848 33.097 54.383 41.665 1.00 0.00 O -ATOM 11543 H1 TIP3A3848 32.928 55.323 41.618 1.00 0.00 H -ATOM 11544 H2 TIP3A3848 33.928 54.265 41.203 1.00 0.00 H -ATOM 11545 O1 TIP3A3849 21.524 2.552 35.398 1.00 0.00 O -ATOM 11546 H1 TIP3A3849 21.125 3.419 35.343 1.00 0.00 H -ATOM 11547 H2 TIP3A3849 21.571 2.368 36.337 1.00 0.00 H -ATOM 11548 O1 TIP3A3850 25.191 42.085 19.636 1.00 0.00 O -ATOM 11549 H1 TIP3A3850 25.809 41.385 19.844 1.00 0.00 H -ATOM 11550 H2 TIP3A3850 25.080 42.034 18.686 1.00 0.00 H -ATOM 11551 O1 TIP3A3851 38.612 41.088 48.403 1.00 0.00 O -ATOM 11552 H1 TIP3A3851 37.777 41.552 48.350 1.00 0.00 H -ATOM 11553 H2 TIP3A3851 38.513 40.498 49.150 1.00 0.00 H -ATOM 11554 O1 TIP3A3852 21.478 31.955 45.297 1.00 0.00 O -ATOM 11555 H1 TIP3A3852 22.430 32.046 45.314 1.00 0.00 H -ATOM 11556 H2 TIP3A3852 21.287 31.579 44.437 1.00 0.00 H -ATOM 11557 O1 TIP3A3853 18.366 5.894 41.714 1.00 0.00 O -ATOM 11558 H1 TIP3A3853 18.390 5.226 41.029 1.00 0.00 H -ATOM 11559 H2 TIP3A3853 18.284 5.399 42.529 1.00 0.00 H -ATOM 11560 O1 TIP3A3854 18.979 22.208 18.609 1.00 0.00 O -ATOM 11561 H1 TIP3A3854 18.108 22.366 18.248 1.00 0.00 H -ATOM 11562 H2 TIP3A3854 19.283 23.072 18.890 1.00 0.00 H -ATOM 11563 O1 TIP3A3855 44.653 0.228 3.606 1.00 0.00 O -ATOM 11564 H1 TIP3A3855 45.590 0.403 3.523 1.00 0.00 H -ATOM 11565 H2 TIP3A3855 44.371 0.773 4.342 1.00 0.00 H -ATOM 11566 O1 TIP3A3856 53.207 17.521 18.816 1.00 0.00 O -ATOM 11567 H1 TIP3A3856 53.318 18.423 18.519 1.00 0.00 H -ATOM 11568 H2 TIP3A3856 52.425 17.212 18.357 1.00 0.00 H -ATOM 11569 O1 TIP3A3857 23.710 13.049 3.781 1.00 0.00 O -ATOM 11570 H1 TIP3A3857 23.176 13.843 3.789 1.00 0.00 H -ATOM 11571 H2 TIP3A3857 23.078 12.336 3.675 1.00 0.00 H -ATOM 11572 O1 TIP3A3858 1.198 43.064 11.628 1.00 0.00 O -ATOM 11573 H1 TIP3A3858 0.417 43.404 12.063 1.00 0.00 H -ATOM 11574 H2 TIP3A3858 1.929 43.419 12.135 1.00 0.00 H -ATOM 11575 O1 TIP3A3859 12.540 10.879 57.553 1.00 0.00 O -ATOM 11576 H1 TIP3A3859 11.704 11.332 57.447 1.00 0.00 H -ATOM 11577 H2 TIP3A3859 13.101 11.513 58.000 1.00 0.00 H -ATOM 11578 O1 TIP3A3860 26.146 11.714 52.738 1.00 0.00 O -ATOM 11579 H1 TIP3A3860 26.001 11.529 53.665 1.00 0.00 H -ATOM 11580 H2 TIP3A3860 26.868 12.343 52.729 1.00 0.00 H -ATOM 11581 O1 TIP3A3861 43.874 40.438 27.754 1.00 0.00 O -ATOM 11582 H1 TIP3A3861 43.155 40.557 27.133 1.00 0.00 H -ATOM 11583 H2 TIP3A3861 43.445 40.363 28.607 1.00 0.00 H -ATOM 11584 O1 TIP3A3862 52.609 18.381 16.151 1.00 0.00 O -ATOM 11585 H1 TIP3A3862 53.478 18.734 16.339 1.00 0.00 H -ATOM 11586 H2 TIP3A3862 52.026 18.845 16.752 1.00 0.00 H -ATOM 11587 O1 TIP3A3863 51.744 44.705 52.689 1.00 0.00 O -ATOM 11588 H1 TIP3A3863 52.162 43.858 52.531 1.00 0.00 H -ATOM 11589 H2 TIP3A3863 50.829 44.571 52.440 1.00 0.00 H -ATOM 11590 O1 TIP3A3864 14.652 15.899 32.887 1.00 0.00 O -ATOM 11591 H1 TIP3A3864 15.378 16.283 32.397 1.00 0.00 H -ATOM 11592 H2 TIP3A3864 13.882 16.060 32.341 1.00 0.00 H -ATOM 11593 O1 TIP3A3865 3.971 51.920 57.222 1.00 0.00 O -ATOM 11594 H1 TIP3A3865 4.552 52.635 57.478 1.00 0.00 H -ATOM 11595 H2 TIP3A3865 4.553 51.262 56.841 1.00 0.00 H -ATOM 11596 O1 TIP3A3866 50.588 35.237 19.957 1.00 0.00 O -ATOM 11597 H1 TIP3A3866 50.381 35.263 19.023 1.00 0.00 H -ATOM 11598 H2 TIP3A3866 50.251 36.065 20.300 1.00 0.00 H -ATOM 11599 O1 TIP3A3867 54.110 26.947 42.516 1.00 0.00 O -ATOM 11600 H1 TIP3A3867 54.271 26.679 43.420 1.00 0.00 H -ATOM 11601 H2 TIP3A3867 54.859 26.605 42.027 1.00 0.00 H -ATOM 11602 O1 TIP3A3868 30.952 36.480 21.487 1.00 0.00 O -ATOM 11603 H1 TIP3A3868 31.627 35.990 21.019 1.00 0.00 H -ATOM 11604 H2 TIP3A3868 31.100 37.393 21.237 1.00 0.00 H -ATOM 11605 O1 TIP3A3869 23.849 11.691 20.828 1.00 0.00 O -ATOM 11606 H1 TIP3A3869 23.260 11.695 20.074 1.00 0.00 H -ATOM 11607 H2 TIP3A3869 23.409 12.237 21.480 1.00 0.00 H -ATOM 11608 O1 TIP3A3870 15.911 45.098 38.330 1.00 0.00 O -ATOM 11609 H1 TIP3A3870 16.217 44.192 38.331 1.00 0.00 H -ATOM 11610 H2 TIP3A3870 16.493 45.549 38.942 1.00 0.00 H -ATOM 11611 O1 TIP3A3871 6.264 24.525 43.824 1.00 0.00 O -ATOM 11612 H1 TIP3A3871 5.669 23.946 44.300 1.00 0.00 H -ATOM 11613 H2 TIP3A3871 6.242 25.347 44.315 1.00 0.00 H -ATOM 11614 O1 TIP3A3872 19.464 25.270 37.505 1.00 0.00 O -ATOM 11615 H1 TIP3A3872 19.941 25.154 38.326 1.00 0.00 H -ATOM 11616 H2 TIP3A3872 20.127 25.156 36.823 1.00 0.00 H -ATOM 11617 O1 TIP3A3873 38.224 9.454 5.624 1.00 0.00 O -ATOM 11618 H1 TIP3A3873 37.521 10.088 5.489 1.00 0.00 H -ATOM 11619 H2 TIP3A3873 37.788 8.602 5.599 1.00 0.00 H -ATOM 11620 O1 TIP3A3874 11.072 6.231 16.488 1.00 0.00 O -ATOM 11621 H1 TIP3A3874 11.888 6.121 16.974 1.00 0.00 H -ATOM 11622 H2 TIP3A3874 10.760 7.102 16.736 1.00 0.00 H -ATOM 11623 O1 TIP3A3875 45.612 23.777 42.167 1.00 0.00 O -ATOM 11624 H1 TIP3A3875 44.840 23.953 42.704 1.00 0.00 H -ATOM 11625 H2 TIP3A3875 45.847 24.629 41.797 1.00 0.00 H -ATOM 11626 O1 TIP3A3876 39.483 9.056 19.562 1.00 0.00 O -ATOM 11627 H1 TIP3A3876 39.109 9.794 20.043 1.00 0.00 H -ATOM 11628 H2 TIP3A3876 40.388 9.001 19.873 1.00 0.00 H -ATOM 11629 O1 TIP3A3877 10.613 0.369 55.652 1.00 0.00 O -ATOM 11630 H1 TIP3A3877 9.842 0.877 55.400 1.00 0.00 H -ATOM 11631 H2 TIP3A3877 10.365 -0.049 56.477 1.00 0.00 H -ATOM 11632 O1 TIP3A3878 7.133 20.695 56.187 1.00 0.00 O -ATOM 11633 H1 TIP3A3878 7.424 19.944 56.703 1.00 0.00 H -ATOM 11634 H2 TIP3A3878 6.181 20.599 56.138 1.00 0.00 H -ATOM 11635 O1 TIP3A3879 21.713 7.446 3.539 1.00 0.00 O -ATOM 11636 H1 TIP3A3879 21.314 7.736 4.359 1.00 0.00 H -ATOM 11637 H2 TIP3A3879 21.851 8.252 3.040 1.00 0.00 H -ATOM 11638 O1 TIP3A3880 47.287 36.336 53.697 1.00 0.00 O -ATOM 11639 H1 TIP3A3880 46.378 36.138 53.474 1.00 0.00 H -ATOM 11640 H2 TIP3A3880 47.387 36.025 54.597 1.00 0.00 H -ATOM 11641 O1 TIP3A3881 49.735 39.911 27.489 1.00 0.00 O -ATOM 11642 H1 TIP3A3881 48.939 39.645 27.949 1.00 0.00 H -ATOM 11643 H2 TIP3A3881 50.432 39.807 28.137 1.00 0.00 H -ATOM 11644 O1 TIP3A3882 34.495 21.730 2.646 1.00 0.00 O -ATOM 11645 H1 TIP3A3882 33.917 20.968 2.653 1.00 0.00 H -ATOM 11646 H2 TIP3A3882 35.210 21.494 3.239 1.00 0.00 H -ATOM 11647 O1 TIP3A3883 38.067 31.850 34.323 1.00 0.00 O -ATOM 11648 H1 TIP3A3883 37.879 30.971 34.651 1.00 0.00 H -ATOM 11649 H2 TIP3A3883 38.664 32.225 34.971 1.00 0.00 H -ATOM 11650 O1 TIP3A3884 29.187 20.446 26.476 1.00 0.00 O -ATOM 11651 H1 TIP3A3884 29.580 19.602 26.697 1.00 0.00 H -ATOM 11652 H2 TIP3A3884 28.811 20.315 25.605 1.00 0.00 H -ATOM 11653 O1 TIP3A3885 52.404 29.976 36.584 1.00 0.00 O -ATOM 11654 H1 TIP3A3885 52.972 30.354 37.254 1.00 0.00 H -ATOM 11655 H2 TIP3A3885 52.523 30.542 35.821 1.00 0.00 H -ATOM 11656 O1 TIP3A3886 24.323 40.221 21.111 1.00 0.00 O -ATOM 11657 H1 TIP3A3886 23.553 40.784 21.185 1.00 0.00 H -ATOM 11658 H2 TIP3A3886 24.968 40.618 21.697 1.00 0.00 H -ATOM 11659 O1 TIP3A3887 32.767 29.153 57.682 1.00 0.00 O -ATOM 11660 H1 TIP3A3887 32.712 28.199 57.635 1.00 0.00 H -ATOM 11661 H2 TIP3A3887 33.671 29.328 57.945 1.00 0.00 H -ATOM 11662 O1 TIP3A3888 22.540 57.057 34.480 1.00 0.00 O -ATOM 11663 H1 TIP3A3888 22.022 56.905 35.270 1.00 0.00 H -ATOM 11664 H2 TIP3A3888 22.444 57.994 34.307 1.00 0.00 H -ATOM 11665 O1 TIP3A3889 44.246 38.827 8.104 1.00 0.00 O -ATOM 11666 H1 TIP3A3889 44.724 39.610 8.377 1.00 0.00 H -ATOM 11667 H2 TIP3A3889 44.903 38.286 7.664 1.00 0.00 H -ATOM 11668 O1 TIP3A3890 39.032 36.228 56.417 1.00 0.00 O -ATOM 11669 H1 TIP3A3890 39.339 35.541 55.827 1.00 0.00 H -ATOM 11670 H2 TIP3A3890 39.533 37.004 56.163 1.00 0.00 H -ATOM 11671 O1 TIP3A3891 25.328 7.353 39.408 1.00 0.00 O -ATOM 11672 H1 TIP3A3891 24.569 6.801 39.591 1.00 0.00 H -ATOM 11673 H2 TIP3A3891 25.705 6.986 38.608 1.00 0.00 H -ATOM 11674 O1 TIP3A3892 2.887 44.230 3.470 1.00 0.00 O -ATOM 11675 H1 TIP3A3892 2.661 43.355 3.155 1.00 0.00 H -ATOM 11676 H2 TIP3A3892 2.247 44.410 4.160 1.00 0.00 H -ATOM 11677 O1 TIP3A3893 34.301 53.980 18.299 1.00 0.00 O -ATOM 11678 H1 TIP3A3893 33.908 53.232 17.851 1.00 0.00 H -ATOM 11679 H2 TIP3A3893 34.195 54.709 17.687 1.00 0.00 H -ATOM 11680 O1 TIP3A3894 24.086 29.634 12.941 1.00 0.00 O -ATOM 11681 H1 TIP3A3894 23.451 28.930 13.068 1.00 0.00 H -ATOM 11682 H2 TIP3A3894 23.585 30.438 13.081 1.00 0.00 H -ATOM 11683 O1 TIP3A3895 42.332 42.665 35.478 1.00 0.00 O -ATOM 11684 H1 TIP3A3895 41.738 41.957 35.723 1.00 0.00 H -ATOM 11685 H2 TIP3A3895 42.220 43.322 36.166 1.00 0.00 H -ATOM 11686 O1 TIP3A3896 47.088 10.831 30.555 1.00 0.00 O -ATOM 11687 H1 TIP3A3896 47.798 10.267 30.251 1.00 0.00 H -ATOM 11688 H2 TIP3A3896 46.293 10.427 30.205 1.00 0.00 H -ATOM 11689 O1 TIP3A3897 1.969 29.441 2.037 1.00 0.00 O -ATOM 11690 H1 TIP3A3897 2.782 29.698 2.470 1.00 0.00 H -ATOM 11691 H2 TIP3A3897 2.213 29.321 1.119 1.00 0.00 H -ATOM 11692 O1 TIP3A3898 34.284 27.605 22.783 1.00 0.00 O -ATOM 11693 H1 TIP3A3898 34.568 27.251 23.625 1.00 0.00 H -ATOM 11694 H2 TIP3A3898 35.097 27.752 22.298 1.00 0.00 H -ATOM 11695 O1 WAT A3899 46.134 8.946 1.491 1.00 0.00 O -ATOM 11696 H1 WAT A3899 46.714 9.224 2.200 1.00 0.00 H -ATOM 11697 H2 WAT A3899 46.649 9.075 0.695 1.00 0.00 H -ATOM 11698 O1 WAT A3900 22.975 20.961 44.066 1.00 0.00 O -ATOM 11699 H1 WAT A3900 22.031 21.075 43.960 1.00 0.00 H -ATOM 11700 H2 WAT A3900 23.270 21.768 44.487 1.00 0.00 H -ATOM 11701 O1 WAT A3901 30.647 10.205 11.925 1.00 0.00 O -ATOM 11702 H1 WAT A3901 30.009 10.807 12.309 1.00 0.00 H -ATOM 11703 H2 WAT A3901 31.496 10.541 12.209 1.00 0.00 H -ATOM 11704 O1 WAT A3902 38.320 35.145 13.779 1.00 0.00 O -ATOM 11705 H1 WAT A3902 39.000 35.026 13.116 1.00 0.00 H -ATOM 11706 H2 WAT A3902 38.466 36.029 14.116 1.00 0.00 H -ATOM 11707 O1 WAT A3903 35.027 28.544 41.379 1.00 0.00 O -ATOM 11708 H1 WAT A3903 34.724 27.655 41.567 1.00 0.00 H -ATOM 11709 H2 WAT A3903 35.855 28.621 41.852 1.00 0.00 H -ATOM 11710 O1 WAT A3904 15.163 24.662 3.093 1.00 0.00 O -ATOM 11711 H1 WAT A3904 14.331 24.279 3.370 1.00 0.00 H -ATOM 11712 H2 WAT A3904 15.582 24.941 3.907 1.00 0.00 H -ATOM 11713 O1 WAT A3905 31.095 46.697 42.390 1.00 0.00 O -ATOM 11714 H1 WAT A3905 30.793 46.608 41.486 1.00 0.00 H -ATOM 11715 H2 WAT A3905 30.361 47.105 42.850 1.00 0.00 H -ATOM 11716 O1 WAT A3906 3.044 41.811 18.675 1.00 0.00 O -ATOM 11717 H1 WAT A3906 2.308 42.369 18.424 1.00 0.00 H -ATOM 11718 H2 WAT A3906 2.758 40.924 18.457 1.00 0.00 H -ATOM 11719 O1 WAT A3907 29.780 8.277 35.763 1.00 0.00 O -ATOM 11720 H1 WAT A3907 28.823 8.287 35.779 1.00 0.00 H -ATOM 11721 H2 WAT A3907 30.036 9.119 36.138 1.00 0.00 H -ATOM 11722 O1 WAT A3908 16.506 9.952 16.205 1.00 0.00 O -ATOM 11723 H1 WAT A3908 15.676 9.488 16.087 1.00 0.00 H -ATOM 11724 H2 WAT A3908 16.285 10.703 16.756 1.00 0.00 H -ATOM 11725 O1 WAT A3909 47.940 15.645 17.237 1.00 0.00 O -ATOM 11726 H1 WAT A3909 47.037 15.442 17.482 1.00 0.00 H -ATOM 11727 H2 WAT A3909 48.128 16.472 17.679 1.00 0.00 H -ATOM 11728 O1 WAT A3910 0.707 37.448 7.675 1.00 0.00 O -ATOM 11729 H1 WAT A3910 0.002 38.096 7.641 1.00 0.00 H -ATOM 11730 H2 WAT A3910 1.494 37.960 7.858 1.00 0.00 H -ATOM 11731 O1 WAT A3911 39.525 47.050 20.146 1.00 0.00 O -ATOM 11732 H1 WAT A3911 39.887 46.167 20.062 1.00 0.00 H -ATOM 11733 H2 WAT A3911 38.639 46.916 20.479 1.00 0.00 H -ATOM 11734 O1 WAT A3912 46.944 21.227 31.970 1.00 0.00 O -ATOM 11735 H1 WAT A3912 47.261 20.741 32.731 1.00 0.00 H -ATOM 11736 H2 WAT A3912 47.737 21.490 31.505 1.00 0.00 H -ATOM 11737 O1 WAT A3913 34.057 5.714 6.705 1.00 0.00 O -ATOM 11738 H1 WAT A3913 34.883 6.198 6.715 1.00 0.00 H -ATOM 11739 H2 WAT A3913 33.383 6.390 6.650 1.00 0.00 H -ATOM 11740 O1 WAT A3914 11.643 16.373 29.138 1.00 0.00 O -ATOM 11741 H1 WAT A3914 12.438 15.970 29.488 1.00 0.00 H -ATOM 11742 H2 WAT A3914 11.952 16.941 28.433 1.00 0.00 H -ATOM 11743 O1 WAT A3915 55.533 11.819 30.701 1.00 0.00 O -ATOM 11744 H1 WAT A3915 55.297 12.266 31.514 1.00 0.00 H -ATOM 11745 H2 WAT A3915 55.159 12.364 30.009 1.00 0.00 H -ATOM 11746 O1 WAT A3916 29.974 46.316 9.845 1.00 0.00 O -ATOM 11747 H1 WAT A3916 29.407 47.051 9.610 1.00 0.00 H -ATOM 11748 H2 WAT A3916 29.392 45.694 10.281 1.00 0.00 H -ATOM 11749 O1 WAT A3917 45.792 49.111 28.960 1.00 0.00 O -ATOM 11750 H1 WAT A3917 44.998 49.617 28.784 1.00 0.00 H -ATOM 11751 H2 WAT A3917 45.479 48.314 29.386 1.00 0.00 H -ATOM 11752 O1 WAT A3918 26.292 17.252 34.182 1.00 0.00 O -ATOM 11753 H1 WAT A3918 26.666 17.864 34.816 1.00 0.00 H -ATOM 11754 H2 WAT A3918 26.735 16.423 34.358 1.00 0.00 H -ATOM 11755 O1 WAT A3919 15.865 55.048 15.683 1.00 0.00 O -ATOM 11756 H1 WAT A3919 16.510 54.639 16.261 1.00 0.00 H -ATOM 11757 H2 WAT A3919 15.131 55.265 16.258 1.00 0.00 H -ATOM 11758 O1 WAT A3920 27.009 25.935 34.758 1.00 0.00 O -ATOM 11759 H1 WAT A3920 26.276 26.532 34.910 1.00 0.00 H -ATOM 11760 H2 WAT A3920 26.783 25.478 33.949 1.00 0.00 H -ATOM 11761 O1 WAT A3921 42.596 34.837 7.121 1.00 0.00 O -ATOM 11762 H1 WAT A3921 41.753 34.387 7.182 1.00 0.00 H -ATOM 11763 H2 WAT A3921 43.209 34.161 6.834 1.00 0.00 H -ATOM 11764 O1 WAT A3922 27.242 3.461 16.080 1.00 0.00 O -ATOM 11765 H1 WAT A3922 26.739 4.273 16.139 1.00 0.00 H -ATOM 11766 H2 WAT A3922 27.904 3.636 15.412 1.00 0.00 H -ATOM 11767 O1 WAT A3923 13.912 31.514 33.488 1.00 0.00 O -ATOM 11768 H1 WAT A3923 13.319 32.261 33.566 1.00 0.00 H -ATOM 11769 H2 WAT A3923 13.432 30.879 32.957 1.00 0.00 H -ATOM 11770 O1 WAT A3924 19.310 17.639 42.625 1.00 0.00 O -ATOM 11771 H1 WAT A3924 20.175 17.256 42.479 1.00 0.00 H -ATOM 11772 H2 WAT A3924 18.797 17.372 41.862 1.00 0.00 H -ATOM 11773 O1 WAT A3925 2.853 49.229 24.243 1.00 0.00 O -ATOM 11774 H1 WAT A3925 2.579 48.316 24.155 1.00 0.00 H -ATOM 11775 H2 WAT A3925 2.487 49.665 23.475 1.00 0.00 H -ATOM 11776 O1 WAT A3926 53.012 47.617 1.199 1.00 0.00 O -ATOM 11777 H1 WAT A3926 52.061 47.732 1.199 1.00 0.00 H -ATOM 11778 H2 WAT A3926 53.325 48.201 0.510 1.00 0.00 H -ATOM 11779 O1 WAT A3927 52.621 24.994 15.526 1.00 0.00 O -ATOM 11780 H1 WAT A3927 53.452 24.703 15.902 1.00 0.00 H -ATOM 11781 H2 WAT A3927 52.000 24.301 15.750 1.00 0.00 H -ATOM 11782 O1 WAT A3928 44.649 22.989 20.810 1.00 0.00 O -ATOM 11783 H1 WAT A3928 44.152 22.178 20.704 1.00 0.00 H -ATOM 11784 H2 WAT A3928 45.461 22.838 20.326 1.00 0.00 H -ATOM 11785 O1 WAT A3929 42.022 12.955 14.736 1.00 0.00 O -ATOM 11786 H1 WAT A3929 41.671 12.072 14.857 1.00 0.00 H -ATOM 11787 H2 WAT A3929 42.627 12.874 13.999 1.00 0.00 H -ATOM 11788 O1 WAT A3930 22.273 48.562 32.754 1.00 0.00 O -ATOM 11789 H1 WAT A3930 23.230 48.596 32.762 1.00 0.00 H -ATOM 11790 H2 WAT A3930 22.012 49.286 32.186 1.00 0.00 H -ATOM 11791 O1 WAT A3931 29.466 54.663 39.197 1.00 0.00 O -ATOM 11792 H1 WAT A3931 28.659 54.255 39.512 1.00 0.00 H -ATOM 11793 H2 WAT A3931 29.713 55.274 39.890 1.00 0.00 H -ATOM 11794 O1 WAT A3932 11.363 0.091 17.459 1.00 0.00 O -ATOM 11795 H1 WAT A3932 11.806 -0.008 18.302 1.00 0.00 H -ATOM 11796 H2 WAT A3932 12.037 0.437 16.874 1.00 0.00 H -ATOM 11797 O1 WAT A3933 47.357 22.483 24.051 1.00 0.00 O -ATOM 11798 H1 WAT A3933 48.138 23.005 23.869 1.00 0.00 H -ATOM 11799 H2 WAT A3933 46.627 23.086 23.912 1.00 0.00 H -ATOM 11800 O1 WAT A3934 51.056 31.136 15.095 1.00 0.00 O -ATOM 11801 H1 WAT A3934 51.769 31.311 14.480 1.00 0.00 H -ATOM 11802 H2 WAT A3934 50.518 31.926 15.070 1.00 0.00 H -ATOM 11803 O1 WAT A3935 55.593 48.578 49.254 1.00 0.00 O -ATOM 11804 H1 WAT A3935 55.322 47.687 49.473 1.00 0.00 H -ATOM 11805 H2 WAT A3935 56.043 48.892 50.037 1.00 0.00 H -ATOM 11806 O1 WAT A3936 9.070 48.176 30.121 1.00 0.00 O -ATOM 11807 H1 WAT A3936 9.320 47.261 29.995 1.00 0.00 H -ATOM 11808 H2 WAT A3936 9.800 48.677 29.757 1.00 0.00 H -ATOM 11809 O1 WAT A3937 7.221 19.546 45.422 1.00 0.00 O -ATOM 11810 H1 WAT A3937 7.896 18.998 45.021 1.00 0.00 H -ATOM 11811 H2 WAT A3937 7.123 19.197 46.307 1.00 0.00 H -ATOM 11812 O1 WAT A3938 11.559 51.948 54.728 1.00 0.00 O -ATOM 11813 H1 WAT A3938 10.764 51.697 54.257 1.00 0.00 H -ATOM 11814 H2 WAT A3938 11.520 52.903 54.773 1.00 0.00 H -ATOM 11815 O1 WAT A3939 12.136 21.017 19.501 1.00 0.00 O -ATOM 11816 H1 WAT A3939 12.957 21.348 19.865 1.00 0.00 H -ATOM 11817 H2 WAT A3939 11.758 21.765 19.041 1.00 0.00 H -ATOM 11818 O1 WAT A3940 52.801 44.713 4.253 1.00 0.00 O -ATOM 11819 H1 WAT A3940 51.975 45.090 3.950 1.00 0.00 H -ATOM 11820 H2 WAT A3940 53.471 45.322 3.945 1.00 0.00 H -ATOM 11821 O1 WAT A3941 50.897 6.639 57.607 1.00 0.00 O -ATOM 11822 H1 WAT A3941 51.190 5.803 57.969 1.00 0.00 H -ATOM 11823 H2 WAT A3941 50.071 6.435 57.168 1.00 0.00 H -ATOM 11824 O1 WAT A3942 33.915 29.891 25.780 1.00 0.00 O -ATOM 11825 H1 WAT A3942 33.899 30.848 25.816 1.00 0.00 H -ATOM 11826 H2 WAT A3942 33.214 29.617 26.370 1.00 0.00 H -ATOM 11827 O1 WAT A3943 19.733 40.547 24.995 1.00 0.00 O -ATOM 11828 H1 WAT A3943 20.652 40.430 25.236 1.00 0.00 H -ATOM 11829 H2 WAT A3943 19.330 39.697 25.167 1.00 0.00 H -ATOM 11830 O1 WAT A3944 14.072 54.520 43.801 1.00 0.00 O -ATOM 11831 H1 WAT A3944 14.032 55.220 43.150 1.00 0.00 H -ATOM 11832 H2 WAT A3944 13.162 54.248 43.917 1.00 0.00 H -ATOM 11833 O1 WAT A3945 34.392 46.370 13.419 1.00 0.00 O -ATOM 11834 H1 WAT A3945 35.079 47.015 13.249 1.00 0.00 H -ATOM 11835 H2 WAT A3945 33.954 46.687 14.208 1.00 0.00 H -ATOM 11836 O1 WAT A3946 29.247 50.277 11.249 1.00 0.00 O -ATOM 11837 H1 WAT A3946 28.296 50.365 11.312 1.00 0.00 H -ATOM 11838 H2 WAT A3946 29.395 49.877 10.392 1.00 0.00 H -ATOM 11839 O1 WAT A3947 8.348 28.443 48.196 1.00 0.00 O -ATOM 11840 H1 WAT A3947 9.029 27.789 48.355 1.00 0.00 H -ATOM 11841 H2 WAT A3947 7.613 28.162 48.739 1.00 0.00 H -ATOM 11842 O1 WAT A3948 14.918 23.604 32.063 1.00 0.00 O -ATOM 11843 H1 WAT A3948 14.684 23.198 32.898 1.00 0.00 H -ATOM 11844 H2 WAT A3948 15.400 24.394 32.307 1.00 0.00 H -ATOM 11845 O1 WAT A3949 44.405 49.301 7.622 1.00 0.00 O -ATOM 11846 H1 WAT A3949 44.064 49.768 6.859 1.00 0.00 H -ATOM 11847 H2 WAT A3949 45.355 49.337 7.522 1.00 0.00 H -ATOM 11848 O1 WAT A3950 16.607 7.229 28.087 1.00 0.00 O -ATOM 11849 H1 WAT A3950 17.017 7.874 27.509 1.00 0.00 H -ATOM 11850 H2 WAT A3950 16.736 6.392 27.642 1.00 0.00 H -ATOM 11851 O1 WAT A3951 12.152 40.710 20.535 1.00 0.00 O -ATOM 11852 H1 WAT A3951 11.974 41.649 20.591 1.00 0.00 H -ATOM 11853 H2 WAT A3951 11.342 40.294 20.827 1.00 0.00 H -ATOM 11854 O1 WAT A3952 14.065 30.151 57.668 1.00 0.00 O -ATOM 11855 H1 WAT A3952 13.819 29.280 57.356 1.00 0.00 H -ATOM 11856 H2 WAT A3952 13.379 30.729 57.334 1.00 0.00 H -ATOM 11857 O1 WAT A3953 21.601 44.899 46.832 1.00 0.00 O -ATOM 11858 H1 WAT A3953 21.442 44.248 47.516 1.00 0.00 H -ATOM 11859 H2 WAT A3953 21.805 44.382 46.053 1.00 0.00 H -ATOM 11860 O1 WAT A3954 4.555 39.211 31.530 1.00 0.00 O -ATOM 11861 H1 WAT A3954 5.499 39.089 31.632 1.00 0.00 H -ATOM 11862 H2 WAT A3954 4.184 38.916 32.361 1.00 0.00 H -ATOM 11863 O1 WAT A3955 48.850 31.104 22.325 1.00 0.00 O -ATOM 11864 H1 WAT A3955 48.327 31.736 22.819 1.00 0.00 H -ATOM 11865 H2 WAT A3955 49.360 31.638 21.717 1.00 0.00 H -ATOM 11866 O1 WAT A3956 49.979 10.296 44.076 1.00 0.00 O -ATOM 11867 H1 WAT A3956 50.087 9.922 43.201 1.00 0.00 H -ATOM 11868 H2 WAT A3956 50.468 9.708 44.651 1.00 0.00 H -ATOM 11869 O1 WAT A3957 52.454 36.130 3.031 1.00 0.00 O -ATOM 11870 H1 WAT A3957 52.419 37.086 3.056 1.00 0.00 H -ATOM 11871 H2 WAT A3957 51.581 35.865 2.742 1.00 0.00 H -ATOM 11872 O1 WAT A3958 18.238 0.696 20.479 1.00 0.00 O -ATOM 11873 H1 WAT A3958 18.186 1.650 20.411 1.00 0.00 H -ATOM 11874 H2 WAT A3958 19.152 0.491 20.284 1.00 0.00 H -ATOM 11875 O1 WAT A3959 4.860 26.485 53.393 1.00 0.00 O -ATOM 11876 H1 WAT A3959 4.258 27.174 53.675 1.00 0.00 H -ATOM 11877 H2 WAT A3959 4.875 26.554 52.439 1.00 0.00 H -ATOM 11878 O1 WAT A3960 9.239 51.175 15.260 1.00 0.00 O -ATOM 11879 H1 WAT A3960 9.583 51.439 16.113 1.00 0.00 H -ATOM 11880 H2 WAT A3960 8.796 50.344 15.426 1.00 0.00 H -ATOM 11881 O1 WAT A3961 20.435 12.736 22.233 1.00 0.00 O -ATOM 11882 H1 WAT A3961 21.312 12.353 22.284 1.00 0.00 H -ATOM 11883 H2 WAT A3961 19.852 12.042 22.539 1.00 0.00 H -ATOM 11884 O1 WAT A3962 7.339 51.084 3.171 1.00 0.00 O -ATOM 11885 H1 WAT A3962 6.674 51.750 2.996 1.00 0.00 H -ATOM 11886 H2 WAT A3962 8.097 51.577 3.482 1.00 0.00 H -ATOM 11887 O1 WAT A3963 42.589 57.587 31.734 1.00 0.00 O -ATOM 11888 H1 WAT A3963 41.791 57.908 32.153 1.00 0.00 H -ATOM 11889 H2 WAT A3963 43.300 58.001 32.222 1.00 0.00 H -ATOM 11890 O1 WAT A3964 23.461 21.943 26.655 1.00 0.00 O -ATOM 11891 H1 WAT A3964 22.693 21.909 27.225 1.00 0.00 H -ATOM 11892 H2 WAT A3964 23.199 22.510 25.931 1.00 0.00 H -ATOM 11893 O1 WAT A3965 17.950 43.157 42.216 1.00 0.00 O -ATOM 11894 H1 WAT A3965 18.842 43.134 41.869 1.00 0.00 H -ATOM 11895 H2 WAT A3965 17.443 43.615 41.546 1.00 0.00 H -ATOM 11896 O1 WAT A3966 21.695 7.302 49.131 1.00 0.00 O -ATOM 11897 H1 WAT A3966 21.536 6.787 49.922 1.00 0.00 H -ATOM 11898 H2 WAT A3966 21.239 6.826 48.438 1.00 0.00 H -ATOM 11899 O1 WAT A3967 30.715 38.641 33.547 1.00 0.00 O -ATOM 11900 H1 WAT A3967 31.626 38.351 33.497 1.00 0.00 H -ATOM 11901 H2 WAT A3967 30.369 38.216 34.331 1.00 0.00 H -ATOM 11902 O1 WAT A3968 51.237 4.862 40.343 1.00 0.00 O -ATOM 11903 H1 WAT A3968 51.650 4.467 41.111 1.00 0.00 H -ATOM 11904 H2 WAT A3968 51.587 5.752 40.313 1.00 0.00 H -ATOM 11905 O1 WAT A3969 38.128 39.077 5.672 1.00 0.00 O -ATOM 11906 H1 WAT A3969 38.907 39.104 5.116 1.00 0.00 H -ATOM 11907 H2 WAT A3969 38.408 39.476 6.496 1.00 0.00 H -ATOM 11908 O1 WAT A3970 20.314 28.197 38.898 1.00 0.00 O -ATOM 11909 H1 WAT A3970 20.704 28.036 39.757 1.00 0.00 H -ATOM 11910 H2 WAT A3970 20.254 27.331 38.495 1.00 0.00 H -ATOM 11911 O1 WAT A3971 29.721 0.601 20.940 1.00 0.00 O -ATOM 11912 H1 WAT A3971 29.131 0.035 21.438 1.00 0.00 H -ATOM 11913 H2 WAT A3971 30.282 -0.004 20.456 1.00 0.00 H -ATOM 11914 O1 WAT A3972 2.904 12.786 44.607 1.00 0.00 O -ATOM 11915 H1 WAT A3972 3.462 13.531 44.382 1.00 0.00 H -ATOM 11916 H2 WAT A3972 2.158 13.175 45.064 1.00 0.00 H -ATOM 11917 O1 WAT A3973 14.963 34.403 27.596 1.00 0.00 O -ATOM 11918 H1 WAT A3973 14.859 33.451 27.623 1.00 0.00 H -ATOM 11919 H2 WAT A3973 14.143 34.744 27.949 1.00 0.00 H -ATOM 11920 O1 WAT A3974 38.746 26.764 52.194 1.00 0.00 O -ATOM 11921 H1 WAT A3974 39.467 26.888 51.577 1.00 0.00 H -ATOM 11922 H2 WAT A3974 38.143 27.483 52.008 1.00 0.00 H -ATOM 11923 O1 WAT A3975 10.506 7.058 12.963 1.00 0.00 O -ATOM 11924 H1 WAT A3975 9.733 6.510 12.827 1.00 0.00 H -ATOM 11925 H2 WAT A3975 11.145 6.734 12.329 1.00 0.00 H -ATOM 11926 O1 WAT A3976 36.324 55.900 7.692 1.00 0.00 O -ATOM 11927 H1 WAT A3976 35.467 55.665 8.050 1.00 0.00 H -ATOM 11928 H2 WAT A3976 36.454 56.810 7.958 1.00 0.00 H -ATOM 11929 O1 WAT A3977 54.237 42.721 55.382 1.00 0.00 O -ATOM 11930 H1 WAT A3977 53.657 43.367 55.785 1.00 0.00 H -ATOM 11931 H2 WAT A3977 53.678 42.245 54.769 1.00 0.00 H -ATOM 11932 O1 WAT A3978 33.150 41.403 0.987 1.00 0.00 O -ATOM 11933 H1 WAT A3978 33.538 40.529 0.941 1.00 0.00 H -ATOM 11934 H2 WAT A3978 32.299 41.267 1.403 1.00 0.00 H -ATOM 11935 O1 WAT A3979 39.323 12.789 26.531 1.00 0.00 O -ATOM 11936 H1 WAT A3979 38.446 12.914 26.896 1.00 0.00 H -ATOM 11937 H2 WAT A3979 39.311 11.901 26.177 1.00 0.00 H -ATOM 11938 O1 WAT A3980 10.130 9.665 50.553 1.00 0.00 O -ATOM 11939 H1 WAT A3980 10.166 8.708 50.518 1.00 0.00 H -ATOM 11940 H2 WAT A3980 10.182 9.940 49.639 1.00 0.00 H -ATOM 11941 O1 WAT A3981 24.762 9.215 46.461 1.00 0.00 O -ATOM 11942 H1 WAT A3981 25.335 8.778 47.090 1.00 0.00 H -ATOM 11943 H2 WAT A3981 25.006 8.843 45.614 1.00 0.00 H -ATOM 11944 O1 WAT A3982 57.598 19.204 48.930 1.00 0.00 O -ATOM 11945 H1 WAT A3982 57.075 19.881 48.501 1.00 0.00 H -ATOM 11946 H2 WAT A3982 57.578 19.436 49.857 1.00 0.00 H -ATOM 11947 O1 WAT A3983 47.523 14.792 55.061 1.00 0.00 O -ATOM 11948 H1 WAT A3983 46.601 15.049 55.089 1.00 0.00 H -ATOM 11949 H2 WAT A3983 47.918 15.235 55.811 1.00 0.00 H -ATOM 11950 O1 WAT A3984 53.538 8.226 31.798 1.00 0.00 O -ATOM 11951 H1 WAT A3984 53.909 9.102 31.693 1.00 0.00 H -ATOM 11952 H2 WAT A3984 52.598 8.345 31.667 1.00 0.00 H -ATOM 11953 O1 WAT A3985 54.572 39.703 38.518 1.00 0.00 O -ATOM 11954 H1 WAT A3985 54.979 38.912 38.871 1.00 0.00 H -ATOM 11955 H2 WAT A3985 53.830 39.871 39.097 1.00 0.00 H -ATOM 11956 O1 WAT A3986 6.651 0.768 1.631 1.00 0.00 O -ATOM 11957 H1 WAT A3986 7.265 1.498 1.711 1.00 0.00 H -ATOM 11958 H2 WAT A3986 7.171 -0.008 1.839 1.00 0.00 H -ATOM 11959 O1 WAT A3987 14.494 32.278 3.850 1.00 0.00 O -ATOM 11960 H1 WAT A3987 13.598 31.943 3.869 1.00 0.00 H -ATOM 11961 H2 WAT A3987 14.411 33.168 3.509 1.00 0.00 H -ATOM 11962 O1 WAT A3988 44.172 52.047 38.343 1.00 0.00 O -ATOM 11963 H1 WAT A3988 43.317 51.633 38.221 1.00 0.00 H -ATOM 11964 H2 WAT A3988 44.711 51.368 38.748 1.00 0.00 H -ATOM 11965 O1 WAT A3989 32.308 23.357 44.139 1.00 0.00 O -ATOM 11966 H1 WAT A3989 32.807 23.217 43.334 1.00 0.00 H -ATOM 11967 H2 WAT A3989 32.537 24.245 44.412 1.00 0.00 H -ATOM 11968 O1 WAT A3990 9.054 27.808 21.553 1.00 0.00 O -ATOM 11969 H1 WAT A3990 8.897 28.750 21.619 1.00 0.00 H -ATOM 11970 H2 WAT A3990 9.139 27.514 22.460 1.00 0.00 H -ATOM 11971 O1 WAT A3991 1.422 49.525 42.132 1.00 0.00 O -ATOM 11972 H1 WAT A3991 1.154 50.263 42.679 1.00 0.00 H -ATOM 11973 H2 WAT A3991 0.601 49.106 41.874 1.00 0.00 H -ATOM 11974 O1 WAT A3992 50.944 5.058 19.089 1.00 0.00 O -ATOM 11975 H1 WAT A3992 51.167 4.441 19.787 1.00 0.00 H -ATOM 11976 H2 WAT A3992 51.266 4.643 18.289 1.00 0.00 H -ATOM 11977 O1 WAT A3993 18.670 43.577 18.195 1.00 0.00 O -ATOM 11978 H1 WAT A3993 18.922 44.499 18.132 1.00 0.00 H -ATOM 11979 H2 WAT A3993 19.391 43.164 18.670 1.00 0.00 H -ATOM 11980 O1 WAT A3994 52.185 28.985 0.168 1.00 0.00 O -ATOM 11981 H1 WAT A3994 51.286 28.701 -0.000 1.00 0.00 H -ATOM 11982 H2 WAT A3994 52.091 29.818 0.629 1.00 0.00 H -ATOM 11983 O1 WAT A3995 40.354 12.694 31.344 1.00 0.00 O -ATOM 11984 H1 WAT A3995 41.099 12.216 30.977 1.00 0.00 H -ATOM 11985 H2 WAT A3995 40.061 13.264 30.634 1.00 0.00 H -ATOM 11986 O1 WAT A3996 8.469 4.802 43.002 1.00 0.00 O -ATOM 11987 H1 WAT A3996 8.380 4.031 43.563 1.00 0.00 H -ATOM 11988 H2 WAT A3996 8.971 4.494 42.248 1.00 0.00 H -ATOM 11989 O1 WAT A3997 17.498 9.147 32.645 1.00 0.00 O -ATOM 11990 H1 WAT A3997 17.416 10.020 32.260 1.00 0.00 H -ATOM 11991 H2 WAT A3997 17.489 8.552 31.897 1.00 0.00 H -ATOM 11992 O1 WAT A3998 5.649 41.204 36.668 1.00 0.00 O -ATOM 11993 H1 WAT A3998 4.831 41.223 37.164 1.00 0.00 H -ATOM 11994 H2 WAT A3998 6.326 41.414 37.311 1.00 0.00 H -ATOM 11995 O1 WAT A3999 15.633 28.381 16.257 1.00 0.00 O -ATOM 11996 H1 WAT A3999 15.891 27.788 15.552 1.00 0.00 H -ATOM 11997 H2 WAT A3999 14.877 28.853 15.910 1.00 0.00 H -ATOM 11998 O1 WAT A4000 52.114 50.481 29.796 1.00 0.00 O -ATOM 11999 H1 WAT A4000 52.587 51.289 29.997 1.00 0.00 H -ATOM 12000 H2 WAT A4000 52.676 49.784 30.132 1.00 0.00 H -ATOM 12001 O1 WAT A4001 22.855 15.299 26.839 1.00 0.00 O -ATOM 12002 H1 WAT A4001 23.589 14.984 26.311 1.00 0.00 H -ATOM 12003 H2 WAT A4001 22.109 15.296 26.239 1.00 0.00 H -ATOM 12004 O1 WAT A4002 30.590 40.531 31.673 1.00 0.00 O -ATOM 12005 H1 WAT A4002 31.056 41.322 31.401 1.00 0.00 H -ATOM 12006 H2 WAT A4002 31.279 39.881 31.808 1.00 0.00 H -ATOM 12007 O1 WAT A4003 57.270 35.006 20.780 1.00 0.00 O -ATOM 12008 H1 WAT A4003 57.858 34.293 20.532 1.00 0.00 H -ATOM 12009 H2 WAT A4003 56.695 35.118 20.023 1.00 0.00 H -ATOM 12010 O1 WAT A4004 57.936 9.278 48.279 1.00 0.00 O -ATOM 12011 H1 WAT A4004 57.838 10.222 48.150 1.00 0.00 H -ATOM 12012 H2 WAT A4004 57.298 9.060 48.957 1.00 0.00 H -ATOM 12013 O1 WAT A4005 46.953 47.302 12.496 1.00 0.00 O -ATOM 12014 H1 WAT A4005 46.540 46.439 12.471 1.00 0.00 H -ATOM 12015 H2 WAT A4005 46.267 47.889 12.813 1.00 0.00 H -ATOM 12016 O1 WAT A4006 43.767 32.997 37.588 1.00 0.00 O -ATOM 12017 H1 WAT A4006 42.940 33.433 37.379 1.00 0.00 H -ATOM 12018 H2 WAT A4006 43.673 32.117 37.223 1.00 0.00 H -ATOM 12019 O1 WAT A4007 26.755 19.850 20.841 1.00 0.00 O -ATOM 12020 H1 WAT A4007 27.050 19.673 19.947 1.00 0.00 H -ATOM 12021 H2 WAT A4007 27.393 20.474 21.186 1.00 0.00 H -ATOM 12022 O1 WAT A4008 5.948 12.687 24.633 1.00 0.00 O -ATOM 12023 H1 WAT A4008 5.554 12.550 23.772 1.00 0.00 H -ATOM 12024 H2 WAT A4008 5.251 13.080 25.157 1.00 0.00 H -ATOM 12025 O1 WAT A4009 19.055 56.237 55.282 1.00 0.00 O -ATOM 12026 H1 WAT A4009 19.500 55.772 55.991 1.00 0.00 H -ATOM 12027 H2 WAT A4009 19.174 57.163 55.490 1.00 0.00 H -ATOM 12028 O1 WAT A4010 27.444 56.901 55.808 1.00 0.00 O -ATOM 12029 H1 WAT A4010 27.872 56.051 55.701 1.00 0.00 H -ATOM 12030 H2 WAT A4010 27.436 57.049 56.753 1.00 0.00 H -ATOM 12031 O1 WAT A4011 16.167 9.876 49.666 1.00 0.00 O -ATOM 12032 H1 WAT A4011 15.286 9.932 50.038 1.00 0.00 H -ATOM 12033 H2 WAT A4011 16.693 9.470 50.354 1.00 0.00 H -ATOM 12034 O1 WAT A4012 57.170 47.297 29.585 1.00 0.00 O -ATOM 12035 H1 WAT A4012 56.550 47.622 30.239 1.00 0.00 H -ATOM 12036 H2 WAT A4012 58.013 47.285 30.037 1.00 0.00 H -ATOM 12037 O1 WAT A4013 38.531 25.490 28.577 1.00 0.00 O -ATOM 12038 H1 WAT A4013 38.202 26.271 29.022 1.00 0.00 H -ATOM 12039 H2 WAT A4013 39.482 25.548 28.660 1.00 0.00 H -ATOM 12040 O1 WAT A4014 28.928 38.891 14.673 1.00 0.00 O -ATOM 12041 H1 WAT A4014 28.032 39.219 14.744 1.00 0.00 H -ATOM 12042 H2 WAT A4014 29.439 39.461 15.246 1.00 0.00 H -ATOM 12043 O1 WAT A4015 8.046 15.719 27.137 1.00 0.00 O -ATOM 12044 H1 WAT A4015 8.300 14.835 27.405 1.00 0.00 H -ATOM 12045 H2 WAT A4015 7.094 15.732 27.227 1.00 0.00 H -ATOM 12046 O1 WAT A4016 50.085 54.430 19.923 1.00 0.00 O -ATOM 12047 H1 WAT A4016 49.483 55.169 20.016 1.00 0.00 H -ATOM 12048 H2 WAT A4016 50.851 54.678 20.440 1.00 0.00 H -ATOM 12049 O1 WAT A4017 42.374 41.776 33.027 1.00 0.00 O -ATOM 12050 H1 WAT A4017 42.317 41.113 33.715 1.00 0.00 H -ATOM 12051 H2 WAT A4017 41.466 42.030 32.863 1.00 0.00 H -ATOM 12052 O1 WAT A4018 53.041 49.622 54.683 1.00 0.00 O -ATOM 12053 H1 WAT A4018 53.859 49.353 54.265 1.00 0.00 H -ATOM 12054 H2 WAT A4018 53.252 50.448 55.115 1.00 0.00 H -ATOM 12055 O1 WAT A4019 21.175 16.898 9.044 1.00 0.00 O -ATOM 12056 H1 WAT A4019 21.010 16.076 9.505 1.00 0.00 H -ATOM 12057 H2 WAT A4019 20.670 17.551 9.529 1.00 0.00 H -ATOM 12058 O1 WAT A4020 13.111 5.191 21.903 1.00 0.00 O -ATOM 12059 H1 WAT A4020 12.602 4.987 22.688 1.00 0.00 H -ATOM 12060 H2 WAT A4020 14.012 4.968 22.136 1.00 0.00 H -ATOM 12061 O1 WAT A4021 32.825 52.616 38.740 1.00 0.00 O -ATOM 12062 H1 WAT A4021 33.500 52.553 39.416 1.00 0.00 H -ATOM 12063 H2 WAT A4021 33.290 52.932 37.966 1.00 0.00 H -ATOM 12064 O1 WAT A4022 56.024 14.224 29.228 1.00 0.00 O -ATOM 12065 H1 WAT A4022 55.088 14.420 29.267 1.00 0.00 H -ATOM 12066 H2 WAT A4022 56.446 14.985 29.625 1.00 0.00 H -ATOM 12067 O1 WAT A4023 41.926 4.181 33.846 1.00 0.00 O -ATOM 12068 H1 WAT A4023 42.143 3.262 34.005 1.00 0.00 H -ATOM 12069 H2 WAT A4023 42.723 4.555 33.472 1.00 0.00 H -ATOM 12070 O1 WAT A4024 39.764 13.244 16.851 1.00 0.00 O -ATOM 12071 H1 WAT A4024 39.348 13.146 15.994 1.00 0.00 H -ATOM 12072 H2 WAT A4024 39.101 13.672 17.393 1.00 0.00 H -ATOM 12073 O1 WAT A4025 30.362 23.612 30.757 1.00 0.00 O -ATOM 12074 H1 WAT A4025 30.623 22.709 30.576 1.00 0.00 H -ATOM 12075 H2 WAT A4025 29.433 23.553 30.979 1.00 0.00 H -ATOM 12076 O1 WAT A4026 39.050 16.095 11.738 1.00 0.00 O -ATOM 12077 H1 WAT A4026 38.695 16.237 10.860 1.00 0.00 H -ATOM 12078 H2 WAT A4026 39.740 16.752 11.827 1.00 0.00 H -ATOM 12079 O1 WAT A4027 49.290 49.225 51.000 1.00 0.00 O -ATOM 12080 H1 WAT A4027 49.983 49.419 50.368 1.00 0.00 H -ATOM 12081 H2 WAT A4027 49.343 49.934 51.639 1.00 0.00 H -ATOM 12082 O1 WAT A4028 51.695 39.497 53.256 1.00 0.00 O -ATOM 12083 H1 WAT A4028 51.408 39.592 54.164 1.00 0.00 H -ATOM 12084 H2 WAT A4028 52.641 39.369 53.315 1.00 0.00 H -ATOM 12085 O1 WAT A4029 20.766 52.647 46.594 1.00 0.00 O -ATOM 12086 H1 WAT A4029 21.652 52.937 46.812 1.00 0.00 H -ATOM 12087 H2 WAT A4029 20.436 53.315 45.993 1.00 0.00 H -ATOM 12088 O1 WAT A4030 36.990 20.184 27.487 1.00 0.00 O -ATOM 12089 H1 WAT A4030 37.885 19.886 27.326 1.00 0.00 H -ATOM 12090 H2 WAT A4030 36.813 20.806 26.783 1.00 0.00 H -ATOM 12091 O1 WAT A4031 47.181 29.176 55.132 1.00 0.00 O -ATOM 12092 H1 WAT A4031 47.243 28.416 54.554 1.00 0.00 H -ATOM 12093 H2 WAT A4031 48.073 29.520 55.174 1.00 0.00 H -ATOM 12094 O1 WAT A4032 23.852 0.276 41.278 1.00 0.00 O -ATOM 12095 H1 WAT A4032 23.372 0.044 40.482 1.00 0.00 H -ATOM 12096 H2 WAT A4032 24.774 0.210 41.030 1.00 0.00 H -ATOM 12097 O1 WAT A4033 55.503 33.281 15.054 1.00 0.00 O -ATOM 12098 H1 WAT A4033 54.627 33.470 15.389 1.00 0.00 H -ATOM 12099 H2 WAT A4033 55.387 33.202 14.108 1.00 0.00 H -ATOM 12100 O1 WAT A4034 47.250 43.138 29.079 1.00 0.00 O -ATOM 12101 H1 WAT A4034 46.823 43.990 28.987 1.00 0.00 H -ATOM 12102 H2 WAT A4034 48.166 43.304 28.854 1.00 0.00 H -ATOM 12103 O1 WAT A4035 8.718 21.230 44.987 1.00 0.00 O -ATOM 12104 H1 WAT A4035 8.175 21.514 44.251 1.00 0.00 H -ATOM 12105 H2 WAT A4035 9.577 21.063 44.600 1.00 0.00 H -ATOM 12106 O1 WAT A4036 36.051 34.344 47.899 1.00 0.00 O -ATOM 12107 H1 WAT A4036 36.023 35.089 48.500 1.00 0.00 H -ATOM 12108 H2 WAT A4036 35.138 34.072 47.812 1.00 0.00 H -ATOM 12109 O1 WAT A4037 20.512 12.061 19.845 1.00 0.00 O -ATOM 12110 H1 WAT A4037 21.205 12.722 19.828 1.00 0.00 H -ATOM 12111 H2 WAT A4037 20.953 11.258 20.121 1.00 0.00 H -ATOM 12112 O1 WAT A4038 47.838 41.771 52.530 1.00 0.00 O -ATOM 12113 H1 WAT A4038 47.927 40.818 52.526 1.00 0.00 H -ATOM 12114 H2 WAT A4038 48.056 42.029 53.425 1.00 0.00 H -ATOM 12115 O1 WAT A4039 8.229 26.283 33.249 1.00 0.00 O -ATOM 12116 H1 WAT A4039 9.107 26.201 33.623 1.00 0.00 H -ATOM 12117 H2 WAT A4039 7.730 26.762 33.910 1.00 0.00 H -ATOM 12118 O1 WAT A4040 0.696 37.710 34.607 1.00 0.00 O -ATOM 12119 H1 WAT A4040 -0.013 38.061 34.068 1.00 0.00 H -ATOM 12120 H2 WAT A4040 0.521 36.770 34.651 1.00 0.00 H -ATOM 12121 O1 WAT A4041 37.851 4.856 1.771 1.00 0.00 O -ATOM 12122 H1 WAT A4041 38.351 4.076 2.013 1.00 0.00 H -ATOM 12123 H2 WAT A4041 38.413 5.319 1.151 1.00 0.00 H -ATOM 12124 O1 WAT A4042 35.247 51.200 46.578 1.00 0.00 O -ATOM 12125 H1 WAT A4042 36.005 50.691 46.290 1.00 0.00 H -ATOM 12126 H2 WAT A4042 34.537 50.919 46.001 1.00 0.00 H -ATOM 12127 O1 WAT A4043 45.337 39.923 37.919 1.00 0.00 O -ATOM 12128 H1 WAT A4043 46.129 39.404 38.058 1.00 0.00 H -ATOM 12129 H2 WAT A4043 44.621 39.347 38.185 1.00 0.00 H -ATOM 12130 O1 WAT A4044 24.332 29.700 19.589 1.00 0.00 O -ATOM 12131 H1 WAT A4044 23.836 28.979 19.979 1.00 0.00 H -ATOM 12132 H2 WAT A4044 24.381 30.360 20.280 1.00 0.00 H -ATOM 12133 O1 WAT A4045 14.097 32.791 47.585 1.00 0.00 O -ATOM 12134 H1 WAT A4045 13.411 32.142 47.432 1.00 0.00 H -ATOM 12135 H2 WAT A4045 14.912 32.333 47.381 1.00 0.00 H -ATOM 12136 O1 WAT A4046 51.675 20.703 9.903 1.00 0.00 O -ATOM 12137 H1 WAT A4046 51.099 21.357 10.300 1.00 0.00 H -ATOM 12138 H2 WAT A4046 52.248 21.207 9.326 1.00 0.00 H -ATOM 12139 O1 WAT A4047 43.007 3.431 26.065 1.00 0.00 O -ATOM 12140 H1 WAT A4047 43.014 4.135 26.713 1.00 0.00 H -ATOM 12141 H2 WAT A4047 42.080 3.281 25.882 1.00 0.00 H -ATOM 12142 O1 WAT A4048 39.533 23.821 18.089 1.00 0.00 O -ATOM 12143 H1 WAT A4048 40.359 23.432 18.378 1.00 0.00 H -ATOM 12144 H2 WAT A4048 39.681 24.765 18.142 1.00 0.00 H -ATOM 12145 O1 WAT A4049 49.743 7.196 4.044 1.00 0.00 O -ATOM 12146 H1 WAT A4049 50.011 7.843 3.391 1.00 0.00 H -ATOM 12147 H2 WAT A4049 49.107 6.645 3.588 1.00 0.00 H -ATOM 12148 O1 WAT A4050 51.228 45.179 44.378 1.00 0.00 O -ATOM 12149 H1 WAT A4050 51.860 44.940 45.056 1.00 0.00 H -ATOM 12150 H2 WAT A4050 51.475 46.066 44.121 1.00 0.00 H -ATOM 12151 O1 WAT A4051 14.355 18.699 29.150 1.00 0.00 O -ATOM 12152 H1 WAT A4051 13.744 18.981 29.830 1.00 0.00 H -ATOM 12153 H2 WAT A4051 14.523 19.487 28.635 1.00 0.00 H -ATOM 12154 O1 WAT A4052 48.372 34.836 21.975 1.00 0.00 O -ATOM 12155 H1 WAT A4052 48.524 33.937 21.681 1.00 0.00 H -ATOM 12156 H2 WAT A4052 48.435 34.790 22.929 1.00 0.00 H -ATOM 12157 O1 WAT A4053 51.006 36.919 35.472 1.00 0.00 O -ATOM 12158 H1 WAT A4053 51.294 36.537 34.642 1.00 0.00 H -ATOM 12159 H2 WAT A4053 51.715 37.509 35.724 1.00 0.00 H -ATOM 12160 O1 WAT A4054 35.961 15.227 38.997 1.00 0.00 O -ATOM 12161 H1 WAT A4054 35.283 14.784 38.487 1.00 0.00 H -ATOM 12162 H2 WAT A4054 36.779 15.005 38.553 1.00 0.00 H -ATOM 12163 O1 WAT A4055 35.100 18.761 4.446 1.00 0.00 O -ATOM 12164 H1 WAT A4055 35.603 18.756 5.261 1.00 0.00 H -ATOM 12165 H2 WAT A4055 35.423 18.003 3.960 1.00 0.00 H -ATOM 12166 O1 WAT A4056 14.689 27.606 3.559 1.00 0.00 O -ATOM 12167 H1 WAT A4056 15.619 27.379 3.555 1.00 0.00 H -ATOM 12168 H2 WAT A4056 14.258 26.844 3.944 1.00 0.00 H -ATOM 12169 O1 WAT A4057 14.211 32.680 12.756 1.00 0.00 O -ATOM 12170 H1 WAT A4057 14.549 33.318 12.127 1.00 0.00 H -ATOM 12171 H2 WAT A4057 14.040 31.896 12.236 1.00 0.00 H -ATOM 12172 O1 WAT A4058 57.448 9.463 8.176 1.00 0.00 O -ATOM 12173 H1 WAT A4058 58.003 8.682 8.160 1.00 0.00 H -ATOM 12174 H2 WAT A4058 58.011 10.164 7.850 1.00 0.00 H -ATOM 12175 O1 WAT A4059 41.919 6.206 9.435 1.00 0.00 O -ATOM 12176 H1 WAT A4059 41.770 6.783 8.686 1.00 0.00 H -ATOM 12177 H2 WAT A4059 42.631 5.631 9.158 1.00 0.00 H -ATOM 12178 O1 WAT A4060 17.161 54.116 29.794 1.00 0.00 O -ATOM 12179 H1 WAT A4060 17.499 53.239 29.974 1.00 0.00 H -ATOM 12180 H2 WAT A4060 16.214 54.036 29.904 1.00 0.00 H -ATOM 12181 O1 WAT A4061 10.833 8.514 38.288 1.00 0.00 O -ATOM 12182 H1 WAT A4061 11.120 7.738 37.806 1.00 0.00 H -ATOM 12183 H2 WAT A4061 11.314 8.474 39.114 1.00 0.00 H -ATOM 12184 O1 WAT A4062 57.673 4.362 22.676 1.00 0.00 O -ATOM 12185 H1 WAT A4062 58.000 5.102 22.164 1.00 0.00 H -ATOM 12186 H2 WAT A4062 57.143 3.859 22.060 1.00 0.00 H -ATOM 12187 O1 WAT A4063 5.191 50.530 41.370 1.00 0.00 O -ATOM 12188 H1 WAT A4063 4.320 50.143 41.285 1.00 0.00 H -ATOM 12189 H2 WAT A4063 5.064 51.281 41.950 1.00 0.00 H -ATOM 12190 O1 WAT A4064 12.755 2.227 18.514 1.00 0.00 O -ATOM 12191 H1 WAT A4064 11.798 2.181 18.503 1.00 0.00 H -ATOM 12192 H2 WAT A4064 12.957 3.099 18.175 1.00 0.00 H -ATOM 12193 O1 WAT A4065 16.790 41.167 14.103 1.00 0.00 O -ATOM 12194 H1 WAT A4065 16.823 42.075 14.405 1.00 0.00 H -ATOM 12195 H2 WAT A4065 16.128 41.168 13.413 1.00 0.00 H -ATOM 12196 O1 WAT A4066 36.284 42.740 38.870 1.00 0.00 O -ATOM 12197 H1 WAT A4066 36.810 43.251 38.254 1.00 0.00 H -ATOM 12198 H2 WAT A4066 36.033 41.957 38.381 1.00 0.00 H -ATOM 12199 O1 WAT A4067 7.054 17.194 40.926 1.00 0.00 O -ATOM 12200 H1 WAT A4067 7.451 16.454 40.467 1.00 0.00 H -ATOM 12201 H2 WAT A4067 7.640 17.362 41.663 1.00 0.00 H -ATOM 12202 O1 WAT A4068 20.698 28.802 18.152 1.00 0.00 O -ATOM 12203 H1 WAT A4068 21.137 29.383 17.531 1.00 0.00 H -ATOM 12204 H2 WAT A4068 21.405 28.295 18.549 1.00 0.00 H -ATOM 12205 O1 WAT A4069 33.283 39.471 28.381 1.00 0.00 O -ATOM 12206 H1 WAT A4069 33.293 40.324 28.817 1.00 0.00 H -ATOM 12207 H2 WAT A4069 33.001 39.661 27.487 1.00 0.00 H -ATOM 12208 O1 WAT A4070 27.702 2.665 24.136 1.00 0.00 O -ATOM 12209 H1 WAT A4070 28.488 2.747 24.676 1.00 0.00 H -ATOM 12210 H2 WAT A4070 27.309 3.537 24.150 1.00 0.00 H -ATOM 12211 O1 WAT A4071 39.557 36.770 25.894 1.00 0.00 O -ATOM 12212 H1 WAT A4071 40.477 36.837 26.150 1.00 0.00 H -ATOM 12213 H2 WAT A4071 39.303 35.881 26.140 1.00 0.00 H -ATOM 12214 O1 WAT A4072 11.842 44.573 47.538 1.00 0.00 O -ATOM 12215 H1 WAT A4072 11.932 45.515 47.681 1.00 0.00 H -ATOM 12216 H2 WAT A4072 11.409 44.499 46.688 1.00 0.00 H -ATOM 12217 O1 WAT A4073 51.254 1.117 22.881 1.00 0.00 O -ATOM 12218 H1 WAT A4073 50.354 0.947 23.160 1.00 0.00 H -ATOM 12219 H2 WAT A4073 51.633 1.634 23.592 1.00 0.00 H -ATOM 12220 O1 WAT A4074 4.717 55.134 34.738 1.00 0.00 O -ATOM 12221 H1 WAT A4074 4.583 56.082 34.766 1.00 0.00 H -ATOM 12222 H2 WAT A4074 5.666 55.025 34.782 1.00 0.00 H -ATOM 12223 O1 WAT A4075 2.591 53.321 33.964 1.00 0.00 O -ATOM 12224 H1 WAT A4075 3.174 52.835 33.380 1.00 0.00 H -ATOM 12225 H2 WAT A4075 2.892 54.228 33.902 1.00 0.00 H -ATOM 12226 O1 WAT A4076 54.039 18.727 48.982 1.00 0.00 O -ATOM 12227 H1 WAT A4076 54.024 18.119 49.721 1.00 0.00 H -ATOM 12228 H2 WAT A4076 53.117 18.891 48.787 1.00 0.00 H -ATOM 12229 O1 WAT A4077 34.947 47.327 41.681 1.00 0.00 O -ATOM 12230 H1 WAT A4077 35.129 47.304 42.621 1.00 0.00 H -ATOM 12231 H2 WAT A4077 35.041 46.419 41.395 1.00 0.00 H -ATOM 12232 O1 WAT A4078 49.743 32.003 12.380 1.00 0.00 O -ATOM 12233 H1 WAT A4078 48.875 31.624 12.517 1.00 0.00 H -ATOM 12234 H2 WAT A4078 50.335 31.252 12.369 1.00 0.00 H -ATOM 12235 O1 WAT A4079 37.426 49.906 8.924 1.00 0.00 O -ATOM 12236 H1 WAT A4079 38.079 50.521 9.257 1.00 0.00 H -ATOM 12237 H2 WAT A4079 37.778 49.042 9.137 1.00 0.00 H -ATOM 12238 O1 WAT A4080 18.857 9.691 48.660 1.00 0.00 O -ATOM 12239 H1 WAT A4080 18.823 9.052 49.372 1.00 0.00 H -ATOM 12240 H2 WAT A4080 19.789 9.779 48.461 1.00 0.00 H -ATOM 12241 O1 WAT A4081 25.568 37.070 49.505 1.00 0.00 O -ATOM 12242 H1 WAT A4081 26.294 37.675 49.656 1.00 0.00 H -ATOM 12243 H2 WAT A4081 24.808 37.635 49.370 1.00 0.00 H -ATOM 12244 O1 WAT A4082 18.019 12.929 42.010 1.00 0.00 O -ATOM 12245 H1 WAT A4082 18.625 13.670 41.979 1.00 0.00 H -ATOM 12246 H2 WAT A4082 17.185 13.288 41.710 1.00 0.00 H -ATOM 12247 O1 WAT A4083 44.439 39.951 18.014 1.00 0.00 O -ATOM 12248 H1 WAT A4083 43.663 39.796 17.476 1.00 0.00 H -ATOM 12249 H2 WAT A4083 44.808 40.766 17.676 1.00 0.00 H -ATOM 12250 O1 WAT A4084 42.777 55.926 36.447 1.00 0.00 O -ATOM 12251 H1 WAT A4084 42.544 55.993 35.521 1.00 0.00 H -ATOM 12252 H2 WAT A4084 42.505 55.044 36.700 1.00 0.00 H -ATOM 12253 O1 WAT A4085 32.754 18.499 7.468 1.00 0.00 O -ATOM 12254 H1 WAT A4085 31.913 18.114 7.716 1.00 0.00 H -ATOM 12255 H2 WAT A4085 32.793 19.323 7.953 1.00 0.00 H -ATOM 12256 O1 WAT A4086 16.677 47.852 40.582 1.00 0.00 O -ATOM 12257 H1 WAT A4086 17.498 48.004 41.049 1.00 0.00 H -ATOM 12258 H2 WAT A4086 16.946 47.588 39.703 1.00 0.00 H -ATOM 12259 O1 WAT A4087 49.984 48.065 47.672 1.00 0.00 O -ATOM 12260 H1 WAT A4087 50.055 49.018 47.618 1.00 0.00 H -ATOM 12261 H2 WAT A4087 49.518 47.904 48.491 1.00 0.00 H -ATOM 12262 O1 WAT A4088 12.214 25.376 34.113 1.00 0.00 O -ATOM 12263 H1 WAT A4088 11.755 26.193 33.916 1.00 0.00 H -ATOM 12264 H2 WAT A4088 13.099 25.510 33.774 1.00 0.00 H -ATOM 12265 O1 WAT A4089 6.651 21.121 30.145 1.00 0.00 O -ATOM 12266 H1 WAT A4089 7.558 21.349 30.353 1.00 0.00 H -ATOM 12267 H2 WAT A4089 6.626 20.166 30.192 1.00 0.00 H -ATOM 12268 O1 WAT A4090 37.717 26.360 13.767 1.00 0.00 O -ATOM 12269 H1 WAT A4090 36.835 26.080 13.519 1.00 0.00 H -ATOM 12270 H2 WAT A4090 37.619 26.707 14.653 1.00 0.00 H -ATOM 12271 O1 WAT A4091 55.978 19.577 51.680 1.00 0.00 O -ATOM 12272 H1 WAT A4091 55.493 18.934 51.162 1.00 0.00 H -ATOM 12273 H2 WAT A4091 55.655 20.424 51.375 1.00 0.00 H -ATOM 12274 O1 WAT A4092 46.196 13.180 11.072 1.00 0.00 O -ATOM 12275 H1 WAT A4092 46.146 13.266 10.120 1.00 0.00 H -ATOM 12276 H2 WAT A4092 46.332 12.245 11.222 1.00 0.00 H -ATOM 12277 O1 WAT A4093 38.610 48.641 15.247 1.00 0.00 O -ATOM 12278 H1 WAT A4093 38.586 47.684 15.242 1.00 0.00 H -ATOM 12279 H2 WAT A4093 37.749 48.902 15.572 1.00 0.00 H -ATOM 12280 O1 WAT A4094 21.784 31.684 4.413 1.00 0.00 O -ATOM 12281 H1 WAT A4094 22.714 31.911 4.442 1.00 0.00 H -ATOM 12282 H2 WAT A4094 21.766 30.733 4.518 1.00 0.00 H -ATOM 12283 O1 WAT A4095 26.726 10.798 48.166 1.00 0.00 O -ATOM 12284 H1 WAT A4095 27.397 10.689 48.840 1.00 0.00 H -ATOM 12285 H2 WAT A4095 26.524 11.733 48.177 1.00 0.00 H -ATOM 12286 O1 WAT A4096 2.899 56.167 28.360 1.00 0.00 O -ATOM 12287 H1 WAT A4096 3.310 55.636 29.042 1.00 0.00 H -ATOM 12288 H2 WAT A4096 3.544 56.846 28.163 1.00 0.00 H -ATOM 12289 O1 WAT A4097 28.346 21.128 6.306 1.00 0.00 O -ATOM 12290 H1 WAT A4097 27.545 20.688 6.594 1.00 0.00 H -ATOM 12291 H2 WAT A4097 28.334 21.969 6.761 1.00 0.00 H -ATOM 12292 O1 WAT A4098 43.761 17.076 31.488 1.00 0.00 O -ATOM 12293 H1 WAT A4098 42.819 17.234 31.553 1.00 0.00 H -ATOM 12294 H2 WAT A4098 43.838 16.327 30.897 1.00 0.00 H -ATOM 12295 O1 WAT A4099 16.966 14.842 44.646 1.00 0.00 O -ATOM 12296 H1 WAT A4099 17.868 15.145 44.539 1.00 0.00 H -ATOM 12297 H2 WAT A4099 16.742 14.451 43.802 1.00 0.00 H -ATOM 12298 O1 WAT A4100 32.914 43.555 17.406 1.00 0.00 O -ATOM 12299 H1 WAT A4100 33.291 44.326 16.983 1.00 0.00 H -ATOM 12300 H2 WAT A4100 31.969 43.688 17.349 1.00 0.00 H -ATOM 12301 O1 WAT A4101 0.527 51.309 26.737 1.00 0.00 O -ATOM 12302 H1 WAT A4101 0.915 52.174 26.873 1.00 0.00 H -ATOM 12303 H2 WAT A4101 1.276 50.719 26.660 1.00 0.00 H -ATOM 12304 O1 WAT A4102 32.842 7.471 46.968 1.00 0.00 O -ATOM 12305 H1 WAT A4102 32.725 7.995 46.176 1.00 0.00 H -ATOM 12306 H2 WAT A4102 33.219 6.648 46.659 1.00 0.00 H -ATOM 12307 O1 WAT A4103 47.017 28.287 16.315 1.00 0.00 O -ATOM 12308 H1 WAT A4103 46.268 28.608 16.816 1.00 0.00 H -ATOM 12309 H2 WAT A4103 46.636 27.704 15.660 1.00 0.00 H -ATOM 12310 O1 WAT A4104 10.051 38.535 55.680 1.00 0.00 O -ATOM 12311 H1 WAT A4104 10.924 38.205 55.893 1.00 0.00 H -ATOM 12312 H2 WAT A4104 10.194 39.446 55.427 1.00 0.00 H -ATOM 12313 O1 WAT A4105 4.756 48.380 48.495 1.00 0.00 O -ATOM 12314 H1 WAT A4105 4.816 48.650 49.411 1.00 0.00 H -ATOM 12315 H2 WAT A4105 5.484 47.770 48.376 1.00 0.00 H -ATOM 12316 O1 WAT A4106 55.472 0.617 37.369 1.00 0.00 O -ATOM 12317 H1 WAT A4106 56.314 1.003 37.611 1.00 0.00 H -ATOM 12318 H2 WAT A4106 55.138 0.241 38.183 1.00 0.00 H -ATOM 12319 O1 WAT A4107 16.375 52.786 12.005 1.00 0.00 O -ATOM 12320 H1 WAT A4107 16.949 52.022 12.075 1.00 0.00 H -ATOM 12321 H2 WAT A4107 16.496 53.254 12.830 1.00 0.00 H -ATOM 12322 O1 WAT A4108 42.086 23.007 41.409 1.00 0.00 O -ATOM 12323 H1 WAT A4108 41.599 23.238 42.200 1.00 0.00 H -ATOM 12324 H2 WAT A4108 42.073 23.803 40.878 1.00 0.00 H -ATOM 12325 O1 WAT A4109 8.073 36.046 56.128 1.00 0.00 O -ATOM 12326 H1 WAT A4109 7.580 35.226 56.158 1.00 0.00 H -ATOM 12327 H2 WAT A4109 7.511 36.680 56.572 1.00 0.00 H -ATOM 12328 O1 WAT A4110 22.155 23.799 54.762 1.00 0.00 O -ATOM 12329 H1 WAT A4110 21.954 24.606 54.288 1.00 0.00 H -ATOM 12330 H2 WAT A4110 21.370 23.621 55.279 1.00 0.00 H -ATOM 12331 O1 WAT A4111 25.932 37.575 51.962 1.00 0.00 O -ATOM 12332 H1 WAT A4111 26.830 37.780 52.222 1.00 0.00 H -ATOM 12333 H2 WAT A4111 25.870 36.624 52.039 1.00 0.00 H -ATOM 12334 O1 WAT A4112 33.452 15.485 12.606 1.00 0.00 O -ATOM 12335 H1 WAT A4112 33.314 16.270 13.136 1.00 0.00 H -ATOM 12336 H2 WAT A4112 33.973 14.907 13.163 1.00 0.00 H -ATOM 12337 O1 WAT A4113 42.301 11.247 21.592 1.00 0.00 O -ATOM 12338 H1 WAT A4113 42.486 12.118 21.944 1.00 0.00 H -ATOM 12339 H2 WAT A4113 41.430 11.034 21.924 1.00 0.00 H -ATOM 12340 O1 WAT A4114 20.120 13.224 32.903 1.00 0.00 O -ATOM 12341 H1 WAT A4114 20.271 12.735 33.712 1.00 0.00 H -ATOM 12342 H2 WAT A4114 20.755 13.939 32.932 1.00 0.00 H -ATOM 12343 O1 WAT A4115 25.976 43.861 49.270 1.00 0.00 O -ATOM 12344 H1 WAT A4115 25.187 43.327 49.361 1.00 0.00 H -ATOM 12345 H2 WAT A4115 25.885 44.539 49.939 1.00 0.00 H -ATOM 12346 O1 WAT A4116 4.828 27.306 40.053 1.00 0.00 O -ATOM 12347 H1 WAT A4116 5.106 27.718 40.871 1.00 0.00 H -ATOM 12348 H2 WAT A4116 4.262 27.956 39.637 1.00 0.00 H -ATOM 12349 O1 WAT A4117 41.607 35.189 28.127 1.00 0.00 O -ATOM 12350 H1 WAT A4117 41.921 36.004 27.736 1.00 0.00 H -ATOM 12351 H2 WAT A4117 40.851 34.943 27.594 1.00 0.00 H -ATOM 12352 O1 WAT A4118 58.014 37.580 13.687 1.00 0.00 O -ATOM 12353 H1 WAT A4118 57.330 38.126 14.077 1.00 0.00 H -ATOM 12354 H2 WAT A4118 57.557 36.790 13.401 1.00 0.00 H -ATOM 12355 O1 WAT A4119 26.136 21.112 8.400 1.00 0.00 O -ATOM 12356 H1 WAT A4119 26.094 20.183 8.171 1.00 0.00 H -ATOM 12357 H2 WAT A4119 25.545 21.539 7.781 1.00 0.00 H -ATOM 12358 O1 WAT A4120 45.234 0.544 56.483 1.00 0.00 O -ATOM 12359 H1 WAT A4120 44.728 1.074 57.098 1.00 0.00 H -ATOM 12360 H2 WAT A4120 44.634 0.380 55.756 1.00 0.00 H -ATOM 12361 O1 WAT A4121 47.448 16.363 34.667 1.00 0.00 O -ATOM 12362 H1 WAT A4121 47.796 15.663 34.114 1.00 0.00 H -ATOM 12363 H2 WAT A4121 47.359 15.963 35.532 1.00 0.00 H -ATOM 12364 O1 WAT A4122 2.598 48.815 34.643 1.00 0.00 O -ATOM 12365 H1 WAT A4122 3.241 49.510 34.784 1.00 0.00 H -ATOM 12366 H2 WAT A4122 2.930 48.329 33.889 1.00 0.00 H -ATOM 12367 O1 WAT A4123 17.782 29.994 14.982 1.00 0.00 O -ATOM 12368 H1 WAT A4123 17.996 29.351 14.305 1.00 0.00 H -ATOM 12369 H2 WAT A4123 17.509 29.469 15.733 1.00 0.00 H -ATOM 12370 O1 WAT A4124 41.412 26.534 44.879 1.00 0.00 O -ATOM 12371 H1 WAT A4124 41.947 25.767 44.676 1.00 0.00 H -ATOM 12372 H2 WAT A4124 41.423 26.589 45.834 1.00 0.00 H -ATOM 12373 O1 WAT A4125 13.636 11.709 55.737 1.00 0.00 O -ATOM 12374 H1 WAT A4125 14.033 12.569 55.594 1.00 0.00 H -ATOM 12375 H2 WAT A4125 12.706 11.841 55.555 1.00 0.00 H -ATOM 12376 O1 WAT A4126 17.032 42.894 33.547 1.00 0.00 O -ATOM 12377 H1 WAT A4126 16.687 43.466 34.233 1.00 0.00 H -ATOM 12378 H2 WAT A4126 17.951 43.146 33.463 1.00 0.00 H -ATOM 12379 O1 WAT A4127 28.714 8.405 18.001 1.00 0.00 O -ATOM 12380 H1 WAT A4127 27.890 8.845 18.211 1.00 0.00 H -ATOM 12381 H2 WAT A4127 28.460 7.677 17.436 1.00 0.00 H -ATOM 12382 O1 WAT A4128 0.291 50.574 45.660 1.00 0.00 O -ATOM 12383 H1 WAT A4128 0.213 50.473 46.609 1.00 0.00 H -ATOM 12384 H2 WAT A4128 0.054 51.486 45.495 1.00 0.00 H -ATOM 12385 O1 WAT A4129 29.792 47.871 20.312 1.00 0.00 O -ATOM 12386 H1 WAT A4129 29.832 46.914 20.306 1.00 0.00 H -ATOM 12387 H2 WAT A4129 29.428 48.102 19.458 1.00 0.00 H -ATOM 12388 O1 WAT A4130 52.693 43.052 20.006 1.00 0.00 O -ATOM 12389 H1 WAT A4130 52.171 43.809 20.273 1.00 0.00 H -ATOM 12390 H2 WAT A4130 52.099 42.528 19.469 1.00 0.00 H -ATOM 12391 O1 WAT A4131 13.310 18.352 14.904 1.00 0.00 O -ATOM 12392 H1 WAT A4131 14.240 18.206 14.727 1.00 0.00 H -ATOM 12393 H2 WAT A4131 13.125 17.816 15.674 1.00 0.00 H -ATOM 12394 O1 WAT A4132 55.194 26.035 54.142 1.00 0.00 O -ATOM 12395 H1 WAT A4132 55.832 25.937 53.434 1.00 0.00 H -ATOM 12396 H2 WAT A4132 54.403 26.356 53.710 1.00 0.00 H -ATOM 12397 O1 WAT A4133 18.600 12.608 29.004 1.00 0.00 O -ATOM 12398 H1 WAT A4133 19.169 12.105 28.420 1.00 0.00 H -ATOM 12399 H2 WAT A4133 18.111 11.946 29.491 1.00 0.00 H -ATOM 12400 O1 WAT A4134 49.100 52.867 32.356 1.00 0.00 O -ATOM 12401 H1 WAT A4134 49.769 53.278 32.904 1.00 0.00 H -ATOM 12402 H2 WAT A4134 49.057 51.963 32.667 1.00 0.00 H -ATOM 12403 O1 WAT A4135 57.702 35.669 34.221 1.00 0.00 O -ATOM 12404 H1 WAT A4135 56.934 35.419 33.708 1.00 0.00 H -ATOM 12405 H2 WAT A4135 58.018 34.849 34.598 1.00 0.00 H -ATOM 12406 O1 WAT A4136 4.129 33.987 49.048 1.00 0.00 O -ATOM 12407 H1 WAT A4136 4.838 34.512 48.678 1.00 0.00 H -ATOM 12408 H2 WAT A4136 3.975 34.366 49.913 1.00 0.00 H -ATOM 12409 O1 WAT A4137 9.990 41.753 24.644 1.00 0.00 O -ATOM 12410 H1 WAT A4137 9.586 42.533 24.263 1.00 0.00 H -ATOM 12411 H2 WAT A4137 10.031 41.127 23.922 1.00 0.00 H -ATOM 12412 O1 WAT A4138 22.999 40.979 48.836 1.00 0.00 O -ATOM 12413 H1 WAT A4138 23.370 41.561 49.499 1.00 0.00 H -ATOM 12414 H2 WAT A4138 23.757 40.650 48.354 1.00 0.00 H -ATOM 12415 O1 WAT A4139 26.047 47.003 48.935 1.00 0.00 O -ATOM 12416 H1 WAT A4139 26.030 46.502 48.119 1.00 0.00 H -ATOM 12417 H2 WAT A4139 26.871 46.753 49.353 1.00 0.00 H -ATOM 12418 O1 WAT A4140 51.194 5.533 3.929 1.00 0.00 O -ATOM 12419 H1 WAT A4140 50.543 5.060 4.447 1.00 0.00 H -ATOM 12420 H2 WAT A4140 51.482 4.902 3.270 1.00 0.00 H -ATOM 12421 O1 WAT A4141 27.757 10.228 30.456 1.00 0.00 O -ATOM 12422 H1 WAT A4141 26.862 10.328 30.782 1.00 0.00 H -ATOM 12423 H2 WAT A4141 27.821 9.307 30.209 1.00 0.00 H -ATOM 12424 O1 WAT A4142 12.700 41.839 47.247 1.00 0.00 O -ATOM 12425 H1 WAT A4142 12.326 42.452 47.881 1.00 0.00 H -ATOM 12426 H2 WAT A4142 12.024 41.174 47.127 1.00 0.00 H -ATOM 12427 O1 WAT A4143 33.612 5.677 4.162 1.00 0.00 O -ATOM 12428 H1 WAT A4143 34.528 5.439 4.302 1.00 0.00 H -ATOM 12429 H2 WAT A4143 33.117 4.917 4.465 1.00 0.00 H -ATOM 12430 O1 WAT A4144 44.051 10.370 8.351 1.00 0.00 O -ATOM 12431 H1 WAT A4144 44.800 10.617 7.808 1.00 0.00 H -ATOM 12432 H2 WAT A4144 43.785 9.513 8.019 1.00 0.00 H -ATOM 12433 O1 WAT A4145 49.451 30.528 25.539 1.00 0.00 O -ATOM 12434 H1 WAT A4145 50.163 31.093 25.840 1.00 0.00 H -ATOM 12435 H2 WAT A4145 48.670 31.078 25.590 1.00 0.00 H -ATOM 12436 O1 WAT A4146 39.123 28.588 2.431 1.00 0.00 O -ATOM 12437 H1 WAT A4146 39.584 29.304 2.869 1.00 0.00 H -ATOM 12438 H2 WAT A4146 38.690 29.002 1.684 1.00 0.00 H -ATOM 12439 O1 WAT A4147 46.674 12.602 13.373 1.00 0.00 O -ATOM 12440 H1 WAT A4147 47.366 12.253 13.934 1.00 0.00 H -ATOM 12441 H2 WAT A4147 45.899 12.627 13.934 1.00 0.00 H -ATOM 12442 O1 WAT A4148 49.470 57.504 55.865 1.00 0.00 O -ATOM 12443 H1 WAT A4148 49.062 56.641 55.801 1.00 0.00 H -ATOM 12444 H2 WAT A4148 50.303 57.411 55.403 1.00 0.00 H -ATOM 12445 O1 WAT A4149 19.768 0.340 32.362 1.00 0.00 O -ATOM 12446 H1 WAT A4149 20.045 0.821 31.582 1.00 0.00 H -ATOM 12447 H2 WAT A4149 19.625 1.016 33.023 1.00 0.00 H -ATOM 12448 O1 WAT A4150 41.017 19.288 14.164 1.00 0.00 O -ATOM 12449 H1 WAT A4150 40.199 19.104 14.626 1.00 0.00 H -ATOM 12450 H2 WAT A4150 40.818 19.118 13.244 1.00 0.00 H -ATOM 12451 O1 WAT A4151 39.664 39.124 26.742 1.00 0.00 O -ATOM 12452 H1 WAT A4151 39.980 39.852 27.278 1.00 0.00 H -ATOM 12453 H2 WAT A4151 39.776 39.424 25.841 1.00 0.00 H -ATOM 12454 O1 WAT A4152 36.252 38.047 18.983 1.00 0.00 O -ATOM 12455 H1 WAT A4152 37.053 37.975 19.502 1.00 0.00 H -ATOM 12456 H2 WAT A4152 36.418 38.774 18.384 1.00 0.00 H -ATOM 12457 O1 WAT A4153 47.892 48.536 33.405 1.00 0.00 O -ATOM 12458 H1 WAT A4153 48.266 49.130 34.055 1.00 0.00 H -ATOM 12459 H2 WAT A4153 48.623 48.320 32.827 1.00 0.00 H -ATOM 12460 O1 WAT A4154 46.783 27.100 46.768 1.00 0.00 O -ATOM 12461 H1 WAT A4154 46.403 27.978 46.816 1.00 0.00 H -ATOM 12462 H2 WAT A4154 47.650 27.191 47.161 1.00 0.00 H -ATOM 12463 O1 WAT A4155 26.753 34.750 23.464 1.00 0.00 O -ATOM 12464 H1 WAT A4155 26.306 35.000 22.656 1.00 0.00 H -ATOM 12465 H2 WAT A4155 27.355 34.055 23.201 1.00 0.00 H -ATOM 12466 O1 WAT A4156 50.115 1.786 49.069 1.00 0.00 O -ATOM 12467 H1 WAT A4156 50.113 2.743 49.095 1.00 0.00 H -ATOM 12468 H2 WAT A4156 50.627 1.526 49.834 1.00 0.00 H -ATOM 12469 O1 WAT A4157 45.488 51.593 23.947 1.00 0.00 O -ATOM 12470 H1 WAT A4157 46.433 51.529 24.080 1.00 0.00 H -ATOM 12471 H2 WAT A4157 45.136 50.789 24.327 1.00 0.00 H -ATOM 12472 O1 WAT A4158 40.456 23.734 31.861 1.00 0.00 O -ATOM 12473 H1 WAT A4158 41.291 23.887 31.418 1.00 0.00 H -ATOM 12474 H2 WAT A4158 40.696 23.328 32.693 1.00 0.00 H -ATOM 12475 O1 WAT A4159 2.578 12.902 28.092 1.00 0.00 O -ATOM 12476 H1 WAT A4159 2.540 11.946 28.057 1.00 0.00 H -ATOM 12477 H2 WAT A4159 1.701 13.187 27.835 1.00 0.00 H -ATOM 12478 O1 WAT A4160 24.880 43.799 56.271 1.00 0.00 O -ATOM 12479 H1 WAT A4160 24.502 44.661 56.099 1.00 0.00 H -ATOM 12480 H2 WAT A4160 24.305 43.188 55.812 1.00 0.00 H -ATOM 12481 O1 WAT A4161 44.394 32.810 12.262 1.00 0.00 O -ATOM 12482 H1 WAT A4161 43.463 33.033 12.232 1.00 0.00 H -ATOM 12483 H2 WAT A4161 44.420 31.864 12.125 1.00 0.00 H -ATOM 12484 O1 WAT A4162 20.930 37.230 42.515 1.00 0.00 O -ATOM 12485 H1 WAT A4162 21.137 36.296 42.552 1.00 0.00 H -ATOM 12486 H2 WAT A4162 20.010 37.283 42.771 1.00 0.00 H -ATOM 12487 O1 WAT A4163 2.610 51.962 48.056 1.00 0.00 O -ATOM 12488 H1 WAT A4163 3.550 51.987 47.872 1.00 0.00 H -ATOM 12489 H2 WAT A4163 2.526 51.363 48.797 1.00 0.00 H -ATOM 12490 O1 WAT A4164 56.544 45.251 22.805 1.00 0.00 O -ATOM 12491 H1 WAT A4164 55.646 44.982 23.001 1.00 0.00 H -ATOM 12492 H2 WAT A4164 57.087 44.713 23.379 1.00 0.00 H -ATOM 12493 O1 WAT A4165 25.920 14.292 21.464 1.00 0.00 O -ATOM 12494 H1 WAT A4165 25.480 13.552 21.883 1.00 0.00 H -ATOM 12495 H2 WAT A4165 26.077 14.911 22.176 1.00 0.00 H -ATOM 12496 O1 WAT A4166 4.357 9.074 25.575 1.00 0.00 O -ATOM 12497 H1 WAT A4166 4.789 8.762 26.371 1.00 0.00 H -ATOM 12498 H2 WAT A4166 3.729 8.386 25.357 1.00 0.00 H -ATOM 12499 O1 WAT A4167 26.827 32.255 26.560 1.00 0.00 O -ATOM 12500 H1 WAT A4167 27.314 33.025 26.265 1.00 0.00 H -ATOM 12501 H2 WAT A4167 27.164 32.079 27.438 1.00 0.00 H -ATOM 12502 O1 WAT A4168 23.460 57.284 11.582 1.00 0.00 O -ATOM 12503 H1 WAT A4168 22.947 58.004 11.215 1.00 0.00 H -ATOM 12504 H2 WAT A4168 22.858 56.841 12.180 1.00 0.00 H -ATOM 12505 O1 WAT A4169 45.275 23.270 55.603 1.00 0.00 O -ATOM 12506 H1 WAT A4169 44.576 23.914 55.490 1.00 0.00 H -ATOM 12507 H2 WAT A4169 44.874 22.434 55.368 1.00 0.00 H -ATOM 12508 O1 WAT A4170 11.090 13.437 11.800 1.00 0.00 O -ATOM 12509 H1 WAT A4170 10.682 14.303 11.814 1.00 0.00 H -ATOM 12510 H2 WAT A4170 11.883 13.537 12.325 1.00 0.00 H -ATOM 12511 O1 WAT A4171 38.308 39.500 40.090 1.00 0.00 O -ATOM 12512 H1 WAT A4171 38.918 38.817 40.370 1.00 0.00 H -ATOM 12513 H2 WAT A4171 38.863 40.165 39.682 1.00 0.00 H -ATOM 12514 O1 WAT A4172 6.587 25.057 14.611 1.00 0.00 O -ATOM 12515 H1 WAT A4172 7.457 24.768 14.336 1.00 0.00 H -ATOM 12516 H2 WAT A4172 5.995 24.375 14.295 1.00 0.00 H -ATOM 12517 O1 WAT A4173 53.307 30.452 40.167 1.00 0.00 O -ATOM 12518 H1 WAT A4173 52.353 30.389 40.220 1.00 0.00 H -ATOM 12519 H2 WAT A4173 53.576 29.651 39.719 1.00 0.00 H -ATOM 12520 O1 WAT A4174 44.868 15.254 37.604 1.00 0.00 O -ATOM 12521 H1 WAT A4174 45.100 14.579 36.967 1.00 0.00 H -ATOM 12522 H2 WAT A4174 45.706 15.539 37.968 1.00 0.00 H -ATOM 12523 O1 WAT A4175 38.744 45.582 57.339 1.00 0.00 O -ATOM 12524 H1 WAT A4175 38.188 44.831 57.543 1.00 0.00 H -ATOM 12525 H2 WAT A4175 39.614 45.208 57.203 1.00 0.00 H -ATOM 12526 O1 WAT A4176 12.198 33.833 1.548 1.00 0.00 O -ATOM 12527 H1 WAT A4176 12.713 34.334 0.915 1.00 0.00 H -ATOM 12528 H2 WAT A4176 12.616 34.007 2.390 1.00 0.00 H -ATOM 12529 O1 WAT A4177 43.951 4.688 49.787 1.00 0.00 O -ATOM 12530 H1 WAT A4177 44.104 3.959 50.388 1.00 0.00 H -ATOM 12531 H2 WAT A4177 44.575 4.547 49.075 1.00 0.00 H -ATOM 12532 O1 WAT A4178 40.032 20.715 11.934 1.00 0.00 O -ATOM 12533 H1 WAT A4178 39.279 20.127 11.993 1.00 0.00 H -ATOM 12534 H2 WAT A4178 39.675 21.582 12.121 1.00 0.00 H -ATOM 12535 O1 WAT A4179 0.858 19.860 42.323 1.00 0.00 O -ATOM 12536 H1 WAT A4179 -0.000 19.755 42.735 1.00 0.00 H -ATOM 12537 H2 WAT A4179 0.853 20.754 41.983 1.00 0.00 H -ATOM 12538 O1 WAT A4180 57.924 43.887 35.695 1.00 0.00 O -ATOM 12539 H1 WAT A4180 57.837 43.792 34.747 1.00 0.00 H -ATOM 12540 H2 WAT A4180 58.008 44.829 35.836 1.00 0.00 H -ATOM 12541 O1 WAT A4181 19.537 26.659 52.361 1.00 0.00 O -ATOM 12542 H1 WAT A4181 20.174 26.118 51.895 1.00 0.00 H -ATOM 12543 H2 WAT A4181 18.688 26.387 52.013 1.00 0.00 H -ATOM 12544 O1 WAT A4182 31.921 7.214 1.191 1.00 0.00 O -ATOM 12545 H1 WAT A4182 32.565 6.912 1.831 1.00 0.00 H -ATOM 12546 H2 WAT A4182 32.444 7.560 0.468 1.00 0.00 H -ATOM 12547 O1 WAT A4183 20.175 21.453 50.127 1.00 0.00 O -ATOM 12548 H1 WAT A4183 19.932 22.371 50.243 1.00 0.00 H -ATOM 12549 H2 WAT A4183 21.109 21.423 50.332 1.00 0.00 H -ATOM 12550 O1 WAT A4184 18.981 44.057 46.026 1.00 0.00 O -ATOM 12551 H1 WAT A4184 19.373 44.469 46.796 1.00 0.00 H -ATOM 12552 H2 WAT A4184 19.385 44.503 45.282 1.00 0.00 H -ATOM 12553 O1 WAT A4185 52.921 55.776 8.224 1.00 0.00 O -ATOM 12554 H1 WAT A4185 52.306 55.066 8.408 1.00 0.00 H -ATOM 12555 H2 WAT A4185 53.707 55.547 8.720 1.00 0.00 H -ATOM 12556 O1 WAT A4186 16.456 14.525 22.624 1.00 0.00 O -ATOM 12557 H1 WAT A4186 15.884 14.589 21.859 1.00 0.00 H -ATOM 12558 H2 WAT A4186 15.983 14.986 23.316 1.00 0.00 H -ATOM 12559 O1 WAT A4187 38.502 51.421 36.847 1.00 0.00 O -ATOM 12560 H1 WAT A4187 37.867 51.135 37.503 1.00 0.00 H -ATOM 12561 H2 WAT A4187 38.585 52.364 36.988 1.00 0.00 H -ATOM 12562 O1 WAT A4188 45.617 41.086 10.869 1.00 0.00 O -ATOM 12563 H1 WAT A4188 45.726 40.171 11.130 1.00 0.00 H -ATOM 12564 H2 WAT A4188 46.341 41.252 10.267 1.00 0.00 H -ATOM 12565 O1 WAT A4189 31.206 46.906 34.647 1.00 0.00 O -ATOM 12566 H1 WAT A4189 31.723 47.689 34.838 1.00 0.00 H -ATOM 12567 H2 WAT A4189 30.394 47.241 34.268 1.00 0.00 H -ATOM 12568 O1 WAT A4190 6.576 42.409 34.067 1.00 0.00 O -ATOM 12569 H1 WAT A4190 6.534 42.662 34.989 1.00 0.00 H -ATOM 12570 H2 WAT A4190 7.500 42.500 33.835 1.00 0.00 H -ATOM 12571 O1 WAT A4191 56.239 52.350 21.869 1.00 0.00 O -ATOM 12572 H1 WAT A4191 56.039 52.406 20.934 1.00 0.00 H -ATOM 12573 H2 WAT A4191 56.661 51.498 21.973 1.00 0.00 H -ATOM 12574 O1 WAT A4192 24.944 34.691 35.102 1.00 0.00 O -ATOM 12575 H1 WAT A4192 24.072 34.296 35.064 1.00 0.00 H -ATOM 12576 H2 WAT A4192 25.545 33.961 34.959 1.00 0.00 H -ATOM 12577 O1 WAT A4193 38.457 23.654 50.725 1.00 0.00 O -ATOM 12578 H1 WAT A4193 38.088 24.537 50.691 1.00 0.00 H -ATOM 12579 H2 WAT A4193 38.039 23.249 51.484 1.00 0.00 H -ATOM 12580 O1 WAT A4194 0.715 19.703 3.807 1.00 0.00 O -ATOM 12581 H1 WAT A4194 0.376 19.938 4.671 1.00 0.00 H -ATOM 12582 H2 WAT A4194 -0.031 19.310 3.355 1.00 0.00 H -ATOM 12583 O1 WAT A4195 55.084 26.557 25.623 1.00 0.00 O -ATOM 12584 H1 WAT A4195 54.734 25.752 25.240 1.00 0.00 H -ATOM 12585 H2 WAT A4195 55.939 26.306 25.970 1.00 0.00 H -ATOM 12586 O1 WAT A4196 6.050 45.790 6.963 1.00 0.00 O -ATOM 12587 H1 WAT A4196 6.861 46.299 6.962 1.00 0.00 H -ATOM 12588 H2 WAT A4196 6.309 44.925 7.278 1.00 0.00 H -ATOM 12589 O1 WAT A4197 55.778 22.324 31.438 1.00 0.00 O -ATOM 12590 H1 WAT A4197 56.061 23.231 31.314 1.00 0.00 H -ATOM 12591 H2 WAT A4197 54.832 22.347 31.301 1.00 0.00 H -ATOM 12592 O1 WAT A4198 13.628 50.213 14.811 1.00 0.00 O -ATOM 12593 H1 WAT A4198 12.721 50.110 15.101 1.00 0.00 H -ATOM 12594 H2 WAT A4198 13.558 50.496 13.900 1.00 0.00 H -ATOM 12595 O1 WAT A4199 57.467 20.176 42.795 1.00 0.00 O -ATOM 12596 H1 WAT A4199 57.144 20.683 42.050 1.00 0.00 H -ATOM 12597 H2 WAT A4199 58.008 20.791 43.289 1.00 0.00 H -ATOM 12598 O1 WAT A4200 2.374 25.674 29.960 1.00 0.00 O -ATOM 12599 H1 WAT A4200 2.725 24.810 30.175 1.00 0.00 H -ATOM 12600 H2 WAT A4200 2.747 26.256 30.621 1.00 0.00 H -ATOM 12601 O1 WAT A4201 33.984 24.678 29.238 1.00 0.00 O -ATOM 12602 H1 WAT A4201 34.582 25.022 28.575 1.00 0.00 H -ATOM 12603 H2 WAT A4201 34.430 23.908 29.589 1.00 0.00 H -ATOM 12604 O1 WAT A4202 20.948 8.627 18.616 1.00 0.00 O -ATOM 12605 H1 WAT A4202 21.076 8.982 19.495 1.00 0.00 H -ATOM 12606 H2 WAT A4202 20.086 8.947 18.351 1.00 0.00 H -ATOM 12607 O1 WAT A4203 31.465 18.846 42.310 1.00 0.00 O -ATOM 12608 H1 WAT A4203 30.755 18.204 42.293 1.00 0.00 H -ATOM 12609 H2 WAT A4203 32.229 18.366 41.992 1.00 0.00 H -ATOM 12610 O1 WAT A4204 22.802 38.944 22.729 1.00 0.00 O -ATOM 12611 H1 WAT A4204 22.337 38.823 23.557 1.00 0.00 H -ATOM 12612 H2 WAT A4204 23.562 39.479 22.955 1.00 0.00 H -ATOM 12613 O1 WAT A4205 52.522 32.638 21.848 1.00 0.00 O -ATOM 12614 H1 WAT A4205 52.397 31.730 21.574 1.00 0.00 H -ATOM 12615 H2 WAT A4205 51.757 33.100 21.506 1.00 0.00 H -ATOM 12616 O1 WAT A4206 45.581 51.642 51.103 1.00 0.00 O -ATOM 12617 H1 WAT A4206 46.266 52.190 50.720 1.00 0.00 H -ATOM 12618 H2 WAT A4206 45.457 50.935 50.470 1.00 0.00 H -ATOM 12619 O1 WAT A4207 39.202 52.178 23.915 1.00 0.00 O -ATOM 12620 H1 WAT A4207 38.836 52.727 23.222 1.00 0.00 H -ATOM 12621 H2 WAT A4207 40.148 52.300 23.843 1.00 0.00 H -ATOM 12622 O1 WAT A4208 5.890 40.769 11.238 1.00 0.00 O -ATOM 12623 H1 WAT A4208 5.735 40.975 10.316 1.00 0.00 H -ATOM 12624 H2 WAT A4208 6.777 41.083 11.409 1.00 0.00 H -ATOM 12625 O1 WAT A4209 55.338 33.658 18.308 1.00 0.00 O -ATOM 12626 H1 WAT A4209 55.876 33.076 18.846 1.00 0.00 H -ATOM 12627 H2 WAT A4209 55.440 33.324 17.418 1.00 0.00 H -ATOM 12628 O1 WAT A4210 22.919 52.087 57.515 1.00 0.00 O -ATOM 12629 H1 WAT A4210 23.473 51.879 56.763 1.00 0.00 H -ATOM 12630 H2 WAT A4210 23.422 52.728 58.014 1.00 0.00 H -ATOM 12631 O1 WAT A4211 42.271 51.498 18.722 1.00 0.00 O -ATOM 12632 H1 WAT A4211 42.316 52.454 18.706 1.00 0.00 H -ATOM 12633 H2 WAT A4211 41.339 51.303 18.815 1.00 0.00 H -ATOM 12634 O1 WAT A4212 57.467 53.718 12.531 1.00 0.00 O -ATOM 12635 H1 WAT A4212 57.896 53.141 13.162 1.00 0.00 H -ATOM 12636 H2 WAT A4212 56.887 54.265 13.060 1.00 0.00 H -ATOM 12637 O1 WAT A4213 20.069 51.048 31.175 1.00 0.00 O -ATOM 12638 H1 WAT A4213 19.161 51.343 31.238 1.00 0.00 H -ATOM 12639 H2 WAT A4213 20.026 50.246 30.655 1.00 0.00 H -ATOM 12640 O1 WAT A4214 23.692 26.576 40.807 1.00 0.00 O -ATOM 12641 H1 WAT A4214 24.577 26.674 41.158 1.00 0.00 H -ATOM 12642 H2 WAT A4214 23.423 25.698 41.077 1.00 0.00 H -ATOM 12643 O1 WAT A4215 13.068 57.268 32.470 1.00 0.00 O -ATOM 12644 H1 WAT A4215 13.766 57.819 32.825 1.00 0.00 H -ATOM 12645 H2 WAT A4215 12.309 57.848 32.415 1.00 0.00 H -ATOM 12646 O1 WAT A4216 26.841 19.753 46.205 1.00 0.00 O -ATOM 12647 H1 WAT A4216 27.528 19.899 46.855 1.00 0.00 H -ATOM 12648 H2 WAT A4216 27.291 19.344 45.466 1.00 0.00 H -ATOM 12649 O1 WAT A4217 47.101 47.079 47.082 1.00 0.00 O -ATOM 12650 H1 WAT A4217 47.693 46.335 46.971 1.00 0.00 H -ATOM 12651 H2 WAT A4217 47.615 47.838 46.810 1.00 0.00 H -ATOM 12652 O1 WAT A4218 21.356 24.749 8.506 1.00 0.00 O -ATOM 12653 H1 WAT A4218 20.973 25.320 7.840 1.00 0.00 H -ATOM 12654 H2 WAT A4218 22.162 24.421 8.108 1.00 0.00 H -ATOM 12655 O1 WAT A4219 56.871 48.341 3.385 1.00 0.00 O -ATOM 12656 H1 WAT A4219 57.597 48.926 3.167 1.00 0.00 H -ATOM 12657 H2 WAT A4219 56.132 48.926 3.546 1.00 0.00 H -ATOM 12658 O1 WAT A4220 10.289 27.825 13.745 1.00 0.00 O -ATOM 12659 H1 WAT A4220 11.005 28.414 13.508 1.00 0.00 H -ATOM 12660 H2 WAT A4220 9.537 28.401 13.879 1.00 0.00 H -ATOM 12661 O1 WAT A4221 41.662 39.765 45.222 1.00 0.00 O -ATOM 12662 H1 WAT A4221 42.437 39.209 45.140 1.00 0.00 H -ATOM 12663 H2 WAT A4221 41.394 39.671 46.135 1.00 0.00 H -ATOM 12664 O1 WAT A4222 16.374 35.744 21.554 1.00 0.00 O -ATOM 12665 H1 WAT A4222 15.832 36.531 21.511 1.00 0.00 H -ATOM 12666 H2 WAT A4222 16.036 35.259 22.306 1.00 0.00 H -ATOM 12667 O1 WAT A4223 54.835 46.411 21.199 1.00 0.00 O -ATOM 12668 H1 WAT A4223 54.054 46.939 21.371 1.00 0.00 H -ATOM 12669 H2 WAT A4223 54.548 45.760 20.559 1.00 0.00 H -ATOM 12670 O1 WAT A4224 1.939 23.630 46.822 1.00 0.00 O -ATOM 12671 H1 WAT A4224 1.296 23.088 46.364 1.00 0.00 H -ATOM 12672 H2 WAT A4224 2.743 23.112 46.806 1.00 0.00 H -ATOM 12673 O1 WAT A4225 48.030 6.416 10.057 1.00 0.00 O -ATOM 12674 H1 WAT A4225 48.035 5.794 10.786 1.00 0.00 H -ATOM 12675 H2 WAT A4225 47.174 6.839 10.108 1.00 0.00 H -ATOM 12676 O1 WAT A4226 26.129 23.600 1.264 1.00 0.00 O -ATOM 12677 H1 WAT A4226 26.317 23.905 2.152 1.00 0.00 H -ATOM 12678 H2 WAT A4226 25.442 24.187 0.949 1.00 0.00 H -ATOM 12679 O1 WAT A4227 17.937 44.057 26.714 1.00 0.00 O -ATOM 12680 H1 WAT A4227 17.873 43.118 26.888 1.00 0.00 H -ATOM 12681 H2 WAT A4227 18.754 44.156 26.226 1.00 0.00 H -ATOM 12682 O1 WAT A4228 36.000 21.186 36.031 1.00 0.00 O -ATOM 12683 H1 WAT A4228 35.733 20.367 35.613 1.00 0.00 H -ATOM 12684 H2 WAT A4228 35.294 21.383 36.647 1.00 0.00 H -ATOM 12685 O1 WAT A4229 38.140 7.881 51.678 1.00 0.00 O -ATOM 12686 H1 WAT A4229 38.659 8.053 52.464 1.00 0.00 H -ATOM 12687 H2 WAT A4229 37.373 8.446 51.768 1.00 0.00 H -ATOM 12688 O1 WAT A4230 43.322 20.950 38.020 1.00 0.00 O -ATOM 12689 H1 WAT A4230 43.372 21.906 37.989 1.00 0.00 H -ATOM 12690 H2 WAT A4230 43.311 20.680 37.102 1.00 0.00 H -ATOM 12691 O1 WAT A4231 21.876 56.589 30.128 1.00 0.00 O -ATOM 12692 H1 WAT A4231 21.145 56.772 29.537 1.00 0.00 H -ATOM 12693 H2 WAT A4231 21.463 56.280 30.933 1.00 0.00 H -ATOM 12694 O1 WAT A4232 10.942 54.060 11.178 1.00 0.00 O -ATOM 12695 H1 WAT A4232 10.765 53.244 11.647 1.00 0.00 H -ATOM 12696 H2 WAT A4232 10.326 54.690 11.551 1.00 0.00 H -ATOM 12697 O1 WAT A4233 38.016 17.952 31.670 1.00 0.00 O -ATOM 12698 H1 WAT A4233 37.781 18.686 31.102 1.00 0.00 H -ATOM 12699 H2 WAT A4233 38.944 18.084 31.862 1.00 0.00 H -ATOM 12700 O1 WAT A4234 36.038 32.396 30.432 1.00 0.00 O -ATOM 12701 H1 WAT A4234 36.520 32.281 29.612 1.00 0.00 H -ATOM 12702 H2 WAT A4234 36.715 32.562 31.087 1.00 0.00 H -ATOM 12703 O1 WAT A4235 52.197 57.106 19.855 1.00 0.00 O -ATOM 12704 H1 WAT A4235 52.386 56.424 19.210 1.00 0.00 H -ATOM 12705 H2 WAT A4235 51.878 56.630 20.621 1.00 0.00 H -ATOM 12706 O1 WAT A4236 29.700 32.007 22.312 1.00 0.00 O -ATOM 12707 H1 WAT A4236 29.971 31.090 22.370 1.00 0.00 H -ATOM 12708 H2 WAT A4236 28.789 32.007 22.602 1.00 0.00 H -ATOM 12709 O1 WAT A4237 55.576 50.099 5.400 1.00 0.00 O -ATOM 12710 H1 WAT A4237 54.813 49.976 5.966 1.00 0.00 H -ATOM 12711 H2 WAT A4237 56.246 49.527 5.773 1.00 0.00 H -ATOM 12712 O1 WAT A4238 34.337 22.541 7.603 1.00 0.00 O -ATOM 12713 H1 WAT A4238 34.123 22.985 8.424 1.00 0.00 H -ATOM 12714 H2 WAT A4238 35.212 22.857 7.380 1.00 0.00 H -ATOM 12715 O1 WAT A4239 19.473 19.663 7.581 1.00 0.00 O -ATOM 12716 H1 WAT A4239 19.104 20.546 7.548 1.00 0.00 H -ATOM 12717 H2 WAT A4239 20.199 19.683 6.959 1.00 0.00 H -ATOM 12718 O1 WAT A4240 7.823 47.647 48.867 1.00 0.00 O -ATOM 12719 H1 WAT A4240 8.243 48.433 49.216 1.00 0.00 H -ATOM 12720 H2 WAT A4240 7.956 47.702 47.921 1.00 0.00 H -ATOM 12721 O1 WAT A4241 0.697 16.069 53.392 1.00 0.00 O -ATOM 12722 H1 WAT A4241 0.504 15.162 53.628 1.00 0.00 H -ATOM 12723 H2 WAT A4241 1.644 16.150 53.502 1.00 0.00 H -ATOM 12724 O1 WAT A4242 25.163 16.014 29.140 1.00 0.00 O -ATOM 12725 H1 WAT A4242 24.329 16.376 28.841 1.00 0.00 H -ATOM 12726 H2 WAT A4242 25.389 15.356 28.483 1.00 0.00 H -ATOM 12727 O1 WAT A4243 46.370 31.364 50.134 1.00 0.00 O -ATOM 12728 H1 WAT A4243 46.163 30.467 49.872 1.00 0.00 H -ATOM 12729 H2 WAT A4243 46.394 31.855 49.314 1.00 0.00 H -ATOM 12730 O1 WAT A4244 23.343 36.865 23.417 1.00 0.00 O -ATOM 12731 H1 WAT A4244 24.023 36.199 23.316 1.00 0.00 H -ATOM 12732 H2 WAT A4244 22.523 36.397 23.264 1.00 0.00 H -ATOM 12733 O1 WAT A4245 6.468 50.763 31.821 1.00 0.00 O -ATOM 12734 H1 WAT A4245 7.141 51.432 31.699 1.00 0.00 H -ATOM 12735 H2 WAT A4245 6.555 50.191 31.060 1.00 0.00 H -ATOM 12736 O1 WAT A4246 24.367 6.936 9.537 1.00 0.00 O -ATOM 12737 H1 WAT A4246 23.508 6.586 9.774 1.00 0.00 H -ATOM 12738 H2 WAT A4246 24.313 7.867 9.746 1.00 0.00 H -ATOM 12739 O1 WAT A4247 34.064 48.271 46.888 1.00 0.00 O -ATOM 12740 H1 WAT A4247 33.649 48.636 46.106 1.00 0.00 H -ATOM 12741 H2 WAT A4247 34.390 49.033 47.365 1.00 0.00 H -ATOM 12742 O1 WAT A4248 54.734 44.970 44.784 1.00 0.00 O -ATOM 12743 H1 WAT A4248 54.199 45.725 44.538 1.00 0.00 H -ATOM 12744 H2 WAT A4248 54.108 44.256 44.894 1.00 0.00 H -ATOM 12745 O1 WAT A4249 27.953 14.176 49.769 1.00 0.00 O -ATOM 12746 H1 WAT A4249 28.341 13.301 49.796 1.00 0.00 H -ATOM 12747 H2 WAT A4249 28.700 14.768 49.693 1.00 0.00 H -ATOM 12748 O1 WAT A4250 3.040 17.621 0.876 1.00 0.00 O -ATOM 12749 H1 WAT A4250 2.786 16.734 0.621 1.00 0.00 H -ATOM 12750 H2 WAT A4250 3.996 17.608 0.873 1.00 0.00 H -ATOM 12751 O1 WAT A4251 57.376 33.471 37.591 1.00 0.00 O -ATOM 12752 H1 WAT A4251 56.567 33.430 37.081 1.00 0.00 H -ATOM 12753 H2 WAT A4251 57.506 32.578 37.909 1.00 0.00 H -ATOM 12754 O1 WAT A4252 52.140 35.080 29.221 1.00 0.00 O -ATOM 12755 H1 WAT A4252 51.602 35.465 29.913 1.00 0.00 H -ATOM 12756 H2 WAT A4252 51.532 34.933 28.498 1.00 0.00 H -ATOM 12757 O1 WAT A4253 6.080 15.486 17.818 1.00 0.00 O -ATOM 12758 H1 WAT A4253 5.453 16.192 17.657 1.00 0.00 H -ATOM 12759 H2 WAT A4253 5.572 14.683 17.706 1.00 0.00 H -ATOM 12760 O1 WAT A4254 22.055 12.382 37.246 1.00 0.00 O -ATOM 12761 H1 WAT A4254 21.343 12.479 37.879 1.00 0.00 H -ATOM 12762 H2 WAT A4254 22.615 11.701 37.617 1.00 0.00 H -ATOM 12763 O1 WAT A4255 46.649 38.846 22.478 1.00 0.00 O -ATOM 12764 H1 WAT A4255 46.315 38.059 22.909 1.00 0.00 H -ATOM 12765 H2 WAT A4255 46.641 39.516 23.161 1.00 0.00 H -ATOM 12766 O1 WAT A4256 36.805 16.219 14.184 1.00 0.00 O -ATOM 12767 H1 WAT A4256 37.460 16.489 13.539 1.00 0.00 H -ATOM 12768 H2 WAT A4256 37.306 15.758 14.855 1.00 0.00 H -ATOM 12769 O1 WAT A4257 0.903 0.692 2.400 1.00 0.00 O -ATOM 12770 H1 WAT A4257 1.317 1.555 2.406 1.00 0.00 H -ATOM 12771 H2 WAT A4257 0.011 0.855 2.094 1.00 0.00 H -ATOM 12772 O1 WAT A4258 29.783 3.310 40.017 1.00 0.00 O -ATOM 12773 H1 WAT A4258 29.682 4.260 39.965 1.00 0.00 H -ATOM 12774 H2 WAT A4258 28.940 2.962 39.727 1.00 0.00 H -ATOM 12775 O1 WAT A4259 11.144 29.097 2.158 1.00 0.00 O -ATOM 12776 H1 WAT A4259 11.602 29.582 1.471 1.00 0.00 H -ATOM 12777 H2 WAT A4259 10.883 29.765 2.791 1.00 0.00 H -ATOM 12778 O1 WAT A4260 40.247 57.520 0.773 1.00 0.00 O -ATOM 12779 H1 WAT A4260 40.689 57.467 1.621 1.00 0.00 H -ATOM 12780 H2 WAT A4260 40.485 56.709 0.326 1.00 0.00 H -ATOM 12781 O1 WAT A4261 48.016 4.682 13.486 1.00 0.00 O -ATOM 12782 H1 WAT A4261 48.409 4.899 14.332 1.00 0.00 H -ATOM 12783 H2 WAT A4261 47.113 4.444 13.695 1.00 0.00 H -ATOM 12784 O1 WAT A4262 8.901 28.833 31.938 1.00 0.00 O -ATOM 12785 H1 WAT A4262 9.433 29.188 31.226 1.00 0.00 H -ATOM 12786 H2 WAT A4262 9.413 28.099 32.277 1.00 0.00 H -ATOM 12787 O1 WAT A4263 56.329 25.327 23.645 1.00 0.00 O -ATOM 12788 H1 WAT A4263 57.138 25.656 24.036 1.00 0.00 H -ATOM 12789 H2 WAT A4263 55.910 26.101 23.271 1.00 0.00 H -ATOM 12790 O1 WAT A4264 18.020 11.966 5.740 1.00 0.00 O -ATOM 12791 H1 WAT A4264 18.752 11.367 5.591 1.00 0.00 H -ATOM 12792 H2 WAT A4264 18.203 12.714 5.173 1.00 0.00 H -ATOM 12793 O1 WAT A4265 53.484 50.592 9.494 1.00 0.00 O -ATOM 12794 H1 WAT A4265 53.101 49.726 9.355 1.00 0.00 H -ATOM 12795 H2 WAT A4265 54.414 50.423 9.642 1.00 0.00 H -ATOM 12796 O1 WAT A4266 7.257 34.081 27.420 1.00 0.00 O -ATOM 12797 H1 WAT A4266 7.035 33.152 27.364 1.00 0.00 H -ATOM 12798 H2 WAT A4266 7.100 34.420 26.539 1.00 0.00 H -ATOM 12799 O1 WAT A4267 1.874 4.593 40.864 1.00 0.00 O -ATOM 12800 H1 WAT A4267 0.995 4.819 41.167 1.00 0.00 H -ATOM 12801 H2 WAT A4267 1.822 4.651 39.910 1.00 0.00 H -ATOM 12802 O1 WAT A4268 46.534 5.516 53.648 1.00 0.00 O -ATOM 12803 H1 WAT A4268 47.432 5.199 53.546 1.00 0.00 H -ATOM 12804 H2 WAT A4268 46.565 6.084 54.418 1.00 0.00 H -ATOM 12805 O1 WAT A4269 26.274 46.140 8.895 1.00 0.00 O -ATOM 12806 H1 WAT A4269 26.830 45.373 9.030 1.00 0.00 H -ATOM 12807 H2 WAT A4269 26.797 46.722 8.344 1.00 0.00 H -ATOM 12808 O1 WAT A4270 17.547 42.427 10.425 1.00 0.00 O -ATOM 12809 H1 WAT A4270 17.749 43.362 10.436 1.00 0.00 H -ATOM 12810 H2 WAT A4270 16.647 42.379 10.104 1.00 0.00 H -ATOM 12811 O1 WAT A4271 18.066 17.594 30.012 1.00 0.00 O -ATOM 12812 H1 WAT A4271 17.220 17.383 30.409 1.00 0.00 H -ATOM 12813 H2 WAT A4271 18.176 16.942 29.320 1.00 0.00 H -ATOM 12814 O1 WAT A4272 55.311 19.387 41.322 1.00 0.00 O -ATOM 12815 H1 WAT A4272 54.948 18.664 40.810 1.00 0.00 H -ATOM 12816 H2 WAT A4272 55.774 18.962 42.043 1.00 0.00 H -ATOM 12817 O1 WAT A4273 48.506 42.045 45.730 1.00 0.00 O -ATOM 12818 H1 WAT A4273 47.568 41.857 45.683 1.00 0.00 H -ATOM 12819 H2 WAT A4273 48.860 41.705 44.908 1.00 0.00 H -ATOM 12820 O1 WAT A4274 24.031 25.799 36.969 1.00 0.00 O -ATOM 12821 H1 WAT A4274 23.662 25.024 36.546 1.00 0.00 H -ATOM 12822 H2 WAT A4274 23.712 25.756 37.870 1.00 0.00 H -ATOM 12823 O1 WAT A4275 8.040 44.438 36.007 1.00 0.00 O -ATOM 12824 H1 WAT A4275 7.965 44.973 35.216 1.00 0.00 H -ATOM 12825 H2 WAT A4275 8.980 44.304 36.118 1.00 0.00 H -ATOM 12826 O1 WAT A4276 4.584 44.271 47.443 1.00 0.00 O -ATOM 12827 H1 WAT A4276 4.682 43.419 47.017 1.00 0.00 H -ATOM 12828 H2 WAT A4276 5.473 44.514 47.700 1.00 0.00 H -ATOM 12829 O1 WAT A4277 2.659 55.234 53.641 1.00 0.00 O -ATOM 12830 H1 WAT A4277 2.003 55.931 53.668 1.00 0.00 H -ATOM 12831 H2 WAT A4277 3.472 55.659 53.911 1.00 0.00 H -ATOM 12832 O1 WAT A4278 40.495 29.029 25.329 1.00 0.00 O -ATOM 12833 H1 WAT A4278 39.852 28.322 25.386 1.00 0.00 H -ATOM 12834 H2 WAT A4278 39.973 29.830 25.349 1.00 0.00 H -ATOM 12835 O1 WAT A4279 4.608 29.890 46.253 1.00 0.00 O -ATOM 12836 H1 WAT A4279 5.116 30.256 46.978 1.00 0.00 H -ATOM 12837 H2 WAT A4279 4.006 29.273 46.668 1.00 0.00 H -ATOM 12838 O1 WAT A4280 39.804 13.282 48.064 1.00 0.00 O -ATOM 12839 H1 WAT A4280 40.242 12.794 48.762 1.00 0.00 H -ATOM 12840 H2 WAT A4280 40.141 12.899 47.255 1.00 0.00 H -ATOM 12841 O1 WAT A4281 36.331 36.964 25.033 1.00 0.00 O -ATOM 12842 H1 WAT A4281 36.255 36.196 25.600 1.00 0.00 H -ATOM 12843 H2 WAT A4281 37.168 37.359 25.275 1.00 0.00 H -ATOM 12844 O1 WAT A4282 56.852 25.677 20.033 1.00 0.00 O -ATOM 12845 H1 WAT A4282 57.054 24.750 19.905 1.00 0.00 H -ATOM 12846 H2 WAT A4282 56.428 25.945 19.219 1.00 0.00 H -ATOM 12847 O1 WAT A4283 40.062 52.720 52.529 1.00 0.00 O -ATOM 12848 H1 WAT A4283 40.300 53.561 52.919 1.00 0.00 H -ATOM 12849 H2 WAT A4283 40.883 52.376 52.178 1.00 0.00 H -ATOM 12850 O1 WAT A4284 28.980 49.365 25.280 1.00 0.00 O -ATOM 12851 H1 WAT A4284 29.321 48.727 24.653 1.00 0.00 H -ATOM 12852 H2 WAT A4284 28.523 50.011 24.742 1.00 0.00 H -ATOM 12853 O1 WAT A4285 36.579 28.812 55.570 1.00 0.00 O -ATOM 12854 H1 WAT A4285 36.079 28.860 56.385 1.00 0.00 H -ATOM 12855 H2 WAT A4285 35.925 28.621 54.898 1.00 0.00 H -ATOM 12856 O1 WAT A4286 7.015 26.419 16.296 1.00 0.00 O -ATOM 12857 H1 WAT A4286 7.931 26.227 16.093 1.00 0.00 H -ATOM 12858 H2 WAT A4286 6.922 27.356 16.129 1.00 0.00 H -ATOM 12859 O1 WAT A4287 55.026 10.444 4.015 1.00 0.00 O -ATOM 12860 H1 WAT A4287 54.579 9.648 3.726 1.00 0.00 H -ATOM 12861 H2 WAT A4287 55.462 10.192 4.829 1.00 0.00 H -ATOM 12862 O1 WAT A4288 23.842 28.423 35.491 1.00 0.00 O -ATOM 12863 H1 WAT A4288 24.237 29.144 35.000 1.00 0.00 H -ATOM 12864 H2 WAT A4288 22.905 28.496 35.313 1.00 0.00 H -ATOM 12865 O1 WAT A4289 41.001 51.180 42.748 1.00 0.00 O -ATOM 12866 H1 WAT A4289 41.763 50.609 42.654 1.00 0.00 H -ATOM 12867 H2 WAT A4289 40.986 51.696 41.943 1.00 0.00 H -ATOM 12868 O1 WAT A4290 44.159 57.104 2.356 1.00 0.00 O -ATOM 12869 H1 WAT A4290 44.020 56.646 3.185 1.00 0.00 H -ATOM 12870 H2 WAT A4290 44.072 58.031 2.576 1.00 0.00 H -ATOM 12871 O1 WAT A4291 37.576 28.767 39.482 1.00 0.00 O -ATOM 12872 H1 WAT A4291 37.583 28.805 40.439 1.00 0.00 H -ATOM 12873 H2 WAT A4291 37.308 27.872 39.278 1.00 0.00 H -ATOM 12874 O1 WAT A4292 28.456 35.380 21.420 1.00 0.00 O -ATOM 12875 H1 WAT A4292 28.730 36.043 22.054 1.00 0.00 H -ATOM 12876 H2 WAT A4292 28.819 35.680 20.587 1.00 0.00 H -ATOM 12877 O1 WAT A4293 46.903 17.781 51.921 1.00 0.00 O -ATOM 12878 H1 WAT A4293 46.121 17.381 52.303 1.00 0.00 H -ATOM 12879 H2 WAT A4293 46.566 18.462 51.340 1.00 0.00 H -ATOM 12880 O1 WAT A4294 19.577 18.082 39.786 1.00 0.00 O -ATOM 12881 H1 WAT A4294 20.443 18.059 40.195 1.00 0.00 H -ATOM 12882 H2 WAT A4294 19.240 18.955 39.985 1.00 0.00 H -ATOM 12883 O1 WAT A4295 15.213 5.827 41.602 1.00 0.00 O -ATOM 12884 H1 WAT A4295 15.128 6.731 41.905 1.00 0.00 H -ATOM 12885 H2 WAT A4295 16.117 5.590 41.805 1.00 0.00 H -ATOM 12886 O1 WAT A4296 29.963 14.003 30.214 1.00 0.00 O -ATOM 12887 H1 WAT A4296 30.296 14.741 30.724 1.00 0.00 H -ATOM 12888 H2 WAT A4296 29.030 14.184 30.110 1.00 0.00 H -ATOM 12889 O1 WAT A4297 44.278 42.270 47.244 1.00 0.00 O -ATOM 12890 H1 WAT A4297 44.093 43.012 47.820 1.00 0.00 H -ATOM 12891 H2 WAT A4297 45.123 41.937 47.545 1.00 0.00 H -ATOM 12892 O1 WAT A4298 51.627 37.497 40.693 1.00 0.00 O -ATOM 12893 H1 WAT A4298 50.918 36.855 40.722 1.00 0.00 H -ATOM 12894 H2 WAT A4298 51.213 38.325 40.934 1.00 0.00 H -ATOM 12895 O1 WAT A4299 53.090 58.002 1.529 1.00 0.00 O -ATOM 12896 H1 WAT A4299 53.898 57.985 1.018 1.00 0.00 H -ATOM 12897 H2 WAT A4299 53.021 57.124 1.901 1.00 0.00 H -ATOM 12898 O1 WAT A4300 12.473 45.537 50.575 1.00 0.00 O -ATOM 12899 H1 WAT A4300 13.284 45.277 51.011 1.00 0.00 H -ATOM 12900 H2 WAT A4300 12.435 46.487 50.682 1.00 0.00 H -ATOM 12901 O1 WAT A4301 6.745 25.292 2.042 1.00 0.00 O -ATOM 12902 H1 WAT A4301 6.680 24.365 2.272 1.00 0.00 H -ATOM 12903 H2 WAT A4301 7.622 25.386 1.670 1.00 0.00 H -ATOM 12904 O1 WAT A4302 18.044 1.421 40.273 1.00 0.00 O -ATOM 12905 H1 WAT A4302 17.091 1.478 40.205 1.00 0.00 H -ATOM 12906 H2 WAT A4302 18.205 1.168 41.182 1.00 0.00 H -ATOM 12907 O1 WAT A4303 7.776 17.132 10.365 1.00 0.00 O -ATOM 12908 H1 WAT A4303 7.072 17.780 10.377 1.00 0.00 H -ATOM 12909 H2 WAT A4303 7.357 16.329 10.057 1.00 0.00 H -ATOM 12910 O1 WAT A4304 37.554 8.090 8.211 1.00 0.00 O -ATOM 12911 H1 WAT A4304 37.160 7.415 7.659 1.00 0.00 H -ATOM 12912 H2 WAT A4304 36.864 8.328 8.829 1.00 0.00 H -ATOM 12913 O1 WAT A4305 17.414 27.602 50.342 1.00 0.00 O -ATOM 12914 H1 WAT A4305 17.888 27.627 49.510 1.00 0.00 H -ATOM 12915 H2 WAT A4305 16.492 27.547 50.092 1.00 0.00 H -ATOM 12916 O1 WAT A4306 56.109 9.431 31.765 1.00 0.00 O -ATOM 12917 H1 WAT A4306 56.141 8.689 31.160 1.00 0.00 H -ATOM 12918 H2 WAT A4306 56.945 9.399 32.229 1.00 0.00 H -ATOM 12919 O1 WAT A4307 32.606 37.012 35.371 1.00 0.00 O -ATOM 12920 H1 WAT A4307 32.191 36.170 35.180 1.00 0.00 H -ATOM 12921 H2 WAT A4307 33.465 36.956 34.955 1.00 0.00 H -ATOM 12922 O1 WAT A4308 53.946 41.881 46.683 1.00 0.00 O -ATOM 12923 H1 WAT A4308 54.457 41.139 46.358 1.00 0.00 H -ATOM 12924 H2 WAT A4308 54.422 42.653 46.377 1.00 0.00 H -ATOM 12925 O1 WAT A4309 5.444 54.862 28.359 1.00 0.00 O -ATOM 12926 H1 WAT A4309 4.976 54.718 27.536 1.00 0.00 H -ATOM 12927 H2 WAT A4309 5.462 55.813 28.461 1.00 0.00 H -ATOM 12928 O1 WAT A4310 21.911 25.492 33.764 1.00 0.00 O -ATOM 12929 H1 WAT A4310 21.372 25.239 34.514 1.00 0.00 H -ATOM 12930 H2 WAT A4310 22.579 24.810 33.707 1.00 0.00 H -ATOM 12931 O1 WAT A4311 34.855 5.779 29.926 1.00 0.00 O -ATOM 12932 H1 WAT A4311 35.642 5.324 30.227 1.00 0.00 H -ATOM 12933 H2 WAT A4311 34.412 5.145 29.362 1.00 0.00 H -ATOM 12934 O1 WAT A4312 12.062 51.655 47.734 1.00 0.00 O -ATOM 12935 H1 WAT A4312 11.847 52.419 47.199 1.00 0.00 H -ATOM 12936 H2 WAT A4312 11.347 51.596 48.367 1.00 0.00 H -ATOM 12937 O1 WAT A4313 16.799 25.060 28.588 1.00 0.00 O -ATOM 12938 H1 WAT A4313 16.532 25.789 28.028 1.00 0.00 H -ATOM 12939 H2 WAT A4313 15.980 24.618 28.813 1.00 0.00 H -ATOM 12940 O1 WAT A4314 34.087 36.234 32.595 1.00 0.00 O -ATOM 12941 H1 WAT A4314 33.193 36.535 32.758 1.00 0.00 H -ATOM 12942 H2 WAT A4314 34.079 35.936 31.686 1.00 0.00 H -ATOM 12943 O1 WAT A4315 30.498 31.879 4.429 1.00 0.00 O -ATOM 12944 H1 WAT A4315 31.278 32.189 4.889 1.00 0.00 H -ATOM 12945 H2 WAT A4315 30.274 32.590 3.829 1.00 0.00 H -ATOM 12946 O1 WAT A4316 48.984 1.486 37.381 1.00 0.00 O -ATOM 12947 H1 WAT A4316 48.060 1.429 37.138 1.00 0.00 H -ATOM 12948 H2 WAT A4316 49.447 1.559 36.547 1.00 0.00 H -ATOM 12949 O1 WAT A4317 40.156 36.123 31.891 1.00 0.00 O -ATOM 12950 H1 WAT A4317 39.825 36.967 32.197 1.00 0.00 H -ATOM 12951 H2 WAT A4317 41.049 36.077 32.230 1.00 0.00 H -ATOM 12952 O1 WAT A4318 32.187 39.821 7.533 1.00 0.00 O -ATOM 12953 H1 WAT A4318 31.851 40.068 6.671 1.00 0.00 H -ATOM 12954 H2 WAT A4318 32.325 38.876 7.476 1.00 0.00 H -ATOM 12955 O1 WAT A4319 30.214 46.502 49.882 1.00 0.00 O -ATOM 12956 H1 WAT A4319 30.192 45.565 50.077 1.00 0.00 H -ATOM 12957 H2 WAT A4319 29.397 46.842 50.245 1.00 0.00 H -ATOM 12958 O1 WAT A4320 36.228 22.811 10.438 1.00 0.00 O -ATOM 12959 H1 WAT A4320 35.547 23.451 10.231 1.00 0.00 H -ATOM 12960 H2 WAT A4320 35.824 21.963 10.256 1.00 0.00 H -ATOM 12961 O1 WAT A4321 2.011 24.680 22.079 1.00 0.00 O -ATOM 12962 H1 WAT A4321 1.843 25.602 22.274 1.00 0.00 H -ATOM 12963 H2 WAT A4321 1.512 24.508 21.281 1.00 0.00 H -ATOM 12964 O1 WAT A4322 50.068 21.263 42.904 1.00 0.00 O -ATOM 12965 H1 WAT A4322 49.196 21.388 43.280 1.00 0.00 H -ATOM 12966 H2 WAT A4322 50.017 20.419 42.456 1.00 0.00 H -ATOM 12967 O1 WAT A4323 39.795 13.447 44.990 1.00 0.00 O -ATOM 12968 H1 WAT A4323 40.540 13.029 44.556 1.00 0.00 H -ATOM 12969 H2 WAT A4323 40.042 14.369 45.058 1.00 0.00 H -ATOM 12970 O1 WAT A4324 32.749 21.613 6.366 1.00 0.00 O -ATOM 12971 H1 WAT A4324 32.080 21.011 6.692 1.00 0.00 H -ATOM 12972 H2 WAT A4324 33.506 21.057 6.185 1.00 0.00 H -ATOM 12973 O1 WAT A4325 35.301 11.699 32.182 1.00 0.00 O -ATOM 12974 H1 WAT A4325 35.665 12.215 31.462 1.00 0.00 H -ATOM 12975 H2 WAT A4325 35.497 12.209 32.967 1.00 0.00 H -ATOM 12976 O1 WAT A4326 18.038 13.184 21.328 1.00 0.00 O -ATOM 12977 H1 WAT A4326 17.268 12.678 21.588 1.00 0.00 H -ATOM 12978 H2 WAT A4326 18.512 12.610 20.729 1.00 0.00 H -ATOM 12979 O1 WAT A4327 50.503 41.879 -0.021 1.00 0.00 O -ATOM 12980 H1 WAT A4327 51.458 41.849 0.041 1.00 0.00 H -ATOM 12981 H2 WAT A4327 50.216 41.012 0.265 1.00 0.00 H -ATOM 12982 O1 WAT A4328 56.320 50.653 48.143 1.00 0.00 O -ATOM 12983 H1 WAT A4328 55.503 51.131 48.001 1.00 0.00 H -ATOM 12984 H2 WAT A4328 56.294 49.940 47.506 1.00 0.00 H -ATOM 12985 O1 WAT A4329 4.554 5.347 43.330 1.00 0.00 O -ATOM 12986 H1 WAT A4329 4.899 6.217 43.130 1.00 0.00 H -ATOM 12987 H2 WAT A4329 3.611 5.424 43.188 1.00 0.00 H -ATOM 12988 O1 WAT A4330 4.351 17.361 22.805 1.00 0.00 O -ATOM 12989 H1 WAT A4330 3.615 17.922 22.562 1.00 0.00 H -ATOM 12990 H2 WAT A4330 4.024 16.838 23.536 1.00 0.00 H -ATOM 12991 O1 WAT A4331 51.748 20.179 30.618 1.00 0.00 O -ATOM 12992 H1 WAT A4331 51.571 21.063 30.942 1.00 0.00 H -ATOM 12993 H2 WAT A4331 51.032 19.997 30.010 1.00 0.00 H -END +CRYST1 60.000 60.000 60.000 90.00 90.00 90.00 P 1 +ATOM 1 O1 TIP3A 1 26.156 47.894 20.488 1.00 0.00 O +ATOM 2 H1 TIP3A 1 26.996 48.257 20.211 1.00 0.00 H +ATOM 3 H2 TIP3A 1 25.744 47.595 19.677 1.00 0.00 H +ATOM 4 O1 TIP3A 2 38.445 21.898 31.143 1.00 0.00 O +ATOM 5 H1 TIP3A 2 38.553 21.170 31.754 1.00 0.00 H +ATOM 6 H2 TIP3A 2 39.309 22.006 30.744 1.00 0.00 H +ATOM 7 O1 TIP3A 3 6.387 1.126 29.857 1.00 0.00 O +ATOM 8 H1 TIP3A 3 6.376 0.187 30.040 1.00 0.00 H +ATOM 9 H2 TIP3A 3 7.298 1.388 30.000 1.00 0.00 H +ATOM 10 O1 TIP3A 4 7.493 32.170 51.127 1.00 0.00 O +ATOM 11 H1 TIP3A 4 8.330 32.556 51.383 1.00 0.00 H +ATOM 12 H2 TIP3A 4 7.612 31.229 51.261 1.00 0.00 H +ATOM 13 O1 TIP3A 5 43.117 41.558 6.128 1.00 0.00 O +ATOM 14 H1 TIP3A 5 43.036 40.692 6.526 1.00 0.00 H +ATOM 15 H2 TIP3A 5 42.251 41.953 6.235 1.00 0.00 H +ATOM 16 O1 TIP3A 6 -0.006 26.936 10.175 1.00 0.00 O +ATOM 17 H1 TIP3A 6 0.906 26.649 10.131 1.00 0.00 H +ATOM 18 H2 TIP3A 6 0.019 27.734 10.703 1.00 0.00 H +ATOM 19 O1 TIP3A 7 18.330 49.797 51.960 1.00 0.00 O +ATOM 20 H1 TIP3A 7 18.113 50.727 52.011 1.00 0.00 H +ATOM 21 H2 TIP3A 7 17.935 49.414 52.743 1.00 0.00 H +ATOM 22 O1 TIP3A 8 27.704 25.952 0.871 1.00 0.00 O +ATOM 23 H1 TIP3A 8 28.053 26.769 0.517 1.00 0.00 H +ATOM 24 H2 TIP3A 8 27.901 25.296 0.202 1.00 0.00 H +ATOM 25 O1 TIP3A 9 15.442 6.002 57.357 1.00 0.00 O +ATOM 26 H1 TIP3A 9 15.957 6.774 57.124 1.00 0.00 H +ATOM 27 H2 TIP3A 9 15.383 5.498 56.545 1.00 0.00 H +ATOM 28 O1 TIP3A 10 31.178 43.836 32.227 1.00 0.00 O +ATOM 29 H1 TIP3A 10 31.190 43.918 33.180 1.00 0.00 H +ATOM 30 H2 TIP3A 10 30.283 43.565 32.021 1.00 0.00 H +ATOM 31 O1 TIP3A 11 56.744 10.776 42.389 1.00 0.00 O +ATOM 32 H1 TIP3A 11 57.698 10.813 42.443 1.00 0.00 H +ATOM 33 H2 TIP3A 11 56.567 10.170 41.668 1.00 0.00 H +ATOM 34 O1 TIP3A 12 52.777 14.717 54.643 1.00 0.00 O +ATOM 35 H1 TIP3A 12 52.330 13.897 54.851 1.00 0.00 H +ATOM 36 H2 TIP3A 12 52.182 15.171 54.046 1.00 0.00 H +ATOM 37 O1 TIP3A 13 19.064 19.120 0.224 1.00 0.00 O +ATOM 38 H1 TIP3A 13 19.716 19.610 0.722 1.00 0.00 H +ATOM 39 H2 TIP3A 13 18.268 19.171 0.754 1.00 0.00 H +ATOM 40 O1 TIP3A 14 55.871 47.583 43.738 1.00 0.00 O +ATOM 41 H1 TIP3A 14 56.041 46.992 44.472 1.00 0.00 H +ATOM 42 H2 TIP3A 14 54.917 47.653 43.702 1.00 0.00 H +ATOM 43 O1 TIP3A 15 44.353 8.684 3.602 1.00 0.00 O +ATOM 44 H1 TIP3A 15 44.370 9.159 4.432 1.00 0.00 H +ATOM 45 H2 TIP3A 15 44.379 9.369 2.933 1.00 0.00 H +ATOM 46 O1 TIP3A 16 38.772 28.843 46.636 1.00 0.00 O +ATOM 47 H1 TIP3A 16 39.307 28.102 46.354 1.00 0.00 H +ATOM 48 H2 TIP3A 16 39.338 29.334 47.233 1.00 0.00 H +ATOM 49 O1 TIP3A 17 4.627 20.109 32.896 1.00 0.00 O +ATOM 50 H1 TIP3A 17 5.058 19.825 32.090 1.00 0.00 H +ATOM 51 H2 TIP3A 17 5.234 19.859 33.593 1.00 0.00 H +ATOM 52 O1 TIP3A 18 38.586 17.354 52.940 1.00 0.00 O +ATOM 53 H1 TIP3A 18 38.743 16.442 53.183 1.00 0.00 H +ATOM 54 H2 TIP3A 18 38.390 17.322 52.003 1.00 0.00 H +ATOM 55 O1 TIP3A 19 53.245 26.809 51.691 1.00 0.00 O +ATOM 56 H1 TIP3A 19 54.133 26.538 51.459 1.00 0.00 H +ATOM 57 H2 TIP3A 19 53.141 27.668 51.280 1.00 0.00 H +ATOM 58 O1 TIP3A 20 51.883 49.711 -0.082 1.00 0.00 O +ATOM 59 H1 TIP3A 20 52.165 50.620 0.013 1.00 0.00 H +ATOM 60 H2 TIP3A 20 51.156 49.619 0.536 1.00 0.00 H +ATOM 61 O1 TIP3A 21 26.888 49.924 50.235 1.00 0.00 O +ATOM 62 H1 TIP3A 21 26.145 50.508 50.384 1.00 0.00 H +ATOM 63 H2 TIP3A 21 27.568 50.490 49.869 1.00 0.00 H +ATOM 64 O1 TIP3A 22 13.857 45.790 6.692 1.00 0.00 O +ATOM 65 H1 TIP3A 22 13.721 46.138 7.573 1.00 0.00 H +ATOM 66 H2 TIP3A 22 14.723 46.112 6.439 1.00 0.00 H +ATOM 67 O1 TIP3A 23 51.845 34.969 8.679 1.00 0.00 O +ATOM 68 H1 TIP3A 23 51.940 34.547 7.826 1.00 0.00 H +ATOM 69 H2 TIP3A 23 50.917 35.200 8.730 1.00 0.00 H +ATOM 70 O1 TIP3A 24 24.658 48.874 43.327 1.00 0.00 O +ATOM 71 H1 TIP3A 24 24.324 48.007 43.098 1.00 0.00 H +ATOM 72 H2 TIP3A 24 25.201 48.724 44.103 1.00 0.00 H +ATOM 73 O1 TIP3A 25 37.185 46.339 3.697 1.00 0.00 O +ATOM 74 H1 TIP3A 25 37.611 46.572 2.872 1.00 0.00 H +ATOM 75 H2 TIP3A 25 37.027 47.178 4.130 1.00 0.00 H +ATOM 76 O1 TIP3A 26 47.979 15.192 7.728 1.00 0.00 O +ATOM 77 H1 TIP3A 26 47.527 14.522 8.239 1.00 0.00 H +ATOM 78 H2 TIP3A 26 48.815 15.315 8.180 1.00 0.00 H +ATOM 79 O1 TIP3A 27 22.526 45.601 19.613 1.00 0.00 O +ATOM 80 H1 TIP3A 27 23.128 46.329 19.468 1.00 0.00 H +ATOM 81 H2 TIP3A 27 22.870 45.154 20.387 1.00 0.00 H +ATOM 82 O1 TIP3A 28 41.862 43.508 21.056 1.00 0.00 O +ATOM 83 H1 TIP3A 28 41.582 42.594 21.075 1.00 0.00 H +ATOM 84 H2 TIP3A 28 42.566 43.557 21.703 1.00 0.00 H +ATOM 85 O1 TIP3A 29 3.213 36.702 23.846 1.00 0.00 O +ATOM 86 H1 TIP3A 29 2.865 37.433 23.336 1.00 0.00 H +ATOM 87 H2 TIP3A 29 2.439 36.207 24.117 1.00 0.00 H +ATOM 88 O1 TIP3A 30 11.301 6.844 47.949 1.00 0.00 O +ATOM 89 H1 TIP3A 30 10.461 6.390 47.999 1.00 0.00 H +ATOM 90 H2 TIP3A 30 11.941 6.148 47.794 1.00 0.00 H +ATOM 91 O1 TIP3A 31 11.403 54.194 51.385 1.00 0.00 O +ATOM 92 H1 TIP3A 31 12.289 54.025 51.703 1.00 0.00 H +ATOM 93 H2 TIP3A 31 11.268 55.130 51.535 1.00 0.00 H +ATOM 94 O1 TIP3A 32 30.419 17.378 47.417 1.00 0.00 O +ATOM 95 H1 TIP3A 32 29.774 16.811 47.838 1.00 0.00 H +ATOM 96 H2 TIP3A 32 31.262 17.075 47.755 1.00 0.00 H +ATOM 97 O1 TIP3A 33 34.523 9.006 6.604 1.00 0.00 O +ATOM 98 H1 TIP3A 33 34.690 9.939 6.731 1.00 0.00 H +ATOM 99 H2 TIP3A 33 35.393 8.609 6.562 1.00 0.00 H +ATOM 100 O1 TIP3A 34 55.879 29.186 29.526 1.00 0.00 O +ATOM 101 H1 TIP3A 34 56.408 29.125 28.732 1.00 0.00 H +ATOM 102 H2 TIP3A 34 56.120 30.030 29.910 1.00 0.00 H +ATOM 103 O1 TIP3A 35 9.619 27.507 52.474 1.00 0.00 O +ATOM 104 H1 TIP3A 35 10.008 28.081 51.815 1.00 0.00 H +ATOM 105 H2 TIP3A 35 9.551 28.052 53.258 1.00 0.00 H +ATOM 106 O1 TIP3A 36 5.458 28.038 34.215 1.00 0.00 O +ATOM 107 H1 TIP3A 36 4.717 27.558 33.849 1.00 0.00 H +ATOM 108 H2 TIP3A 36 5.124 28.925 34.355 1.00 0.00 H +ATOM 109 O1 TIP3A 37 19.326 40.037 7.508 1.00 0.00 O +ATOM 110 H1 TIP3A 37 19.158 39.133 7.773 1.00 0.00 H +ATOM 111 H2 TIP3A 37 18.961 40.099 6.624 1.00 0.00 H +ATOM 112 O1 TIP3A 38 6.116 18.393 19.434 1.00 0.00 O +ATOM 113 H1 TIP3A 38 5.164 18.309 19.413 1.00 0.00 H +ATOM 114 H2 TIP3A 38 6.384 17.907 20.214 1.00 0.00 H +ATOM 115 O1 TIP3A 39 18.474 34.330 14.963 1.00 0.00 O +ATOM 116 H1 TIP3A 39 19.429 34.271 14.948 1.00 0.00 H +ATOM 117 H2 TIP3A 39 18.284 34.990 15.630 1.00 0.00 H +ATOM 118 O1 TIP3A 40 39.952 22.917 44.286 1.00 0.00 O +ATOM 119 H1 TIP3A 40 39.569 23.069 45.149 1.00 0.00 H +ATOM 120 H2 TIP3A 40 39.381 22.263 43.881 1.00 0.00 H +ATOM 121 O1 TIP3A 41 42.117 17.959 33.714 1.00 0.00 O +ATOM 122 H1 TIP3A 41 41.831 18.813 33.389 1.00 0.00 H +ATOM 123 H2 TIP3A 41 42.392 18.125 34.616 1.00 0.00 H +ATOM 124 O1 TIP3A 42 30.553 28.916 52.572 1.00 0.00 O +ATOM 125 H1 TIP3A 42 31.104 28.155 52.752 1.00 0.00 H +ATOM 126 H2 TIP3A 42 30.869 29.590 53.174 1.00 0.00 H +ATOM 127 O1 TIP3A 43 48.299 19.061 45.305 1.00 0.00 O +ATOM 128 H1 TIP3A 43 48.530 18.393 45.950 1.00 0.00 H +ATOM 129 H2 TIP3A 43 47.345 19.122 45.353 1.00 0.00 H +ATOM 130 O1 TIP3A 44 46.611 31.899 57.221 1.00 0.00 O +ATOM 131 H1 TIP3A 44 46.857 31.184 56.636 1.00 0.00 H +ATOM 132 H2 TIP3A 44 45.937 32.381 56.742 1.00 0.00 H +ATOM 133 O1 TIP3A 45 49.150 44.449 44.918 1.00 0.00 O +ATOM 134 H1 TIP3A 45 48.374 43.959 44.647 1.00 0.00 H +ATOM 135 H2 TIP3A 45 48.822 45.081 45.560 1.00 0.00 H +ATOM 136 O1 TIP3A 46 46.352 25.637 21.131 1.00 0.00 O +ATOM 137 H1 TIP3A 46 45.673 25.646 21.805 1.00 0.00 H +ATOM 138 H2 TIP3A 46 46.622 26.552 21.049 1.00 0.00 H +ATOM 139 O1 TIP3A 47 43.157 39.300 30.512 1.00 0.00 O +ATOM 140 H1 TIP3A 47 42.237 39.552 30.441 1.00 0.00 H +ATOM 141 H2 TIP3A 47 43.218 38.849 31.355 1.00 0.00 H +ATOM 142 O1 TIP3A 48 53.392 54.299 26.279 1.00 0.00 O +ATOM 143 H1 TIP3A 48 52.569 54.312 26.766 1.00 0.00 H +ATOM 144 H2 TIP3A 48 54.062 54.501 26.933 1.00 0.00 H +ATOM 145 O1 TIP3A 49 24.350 52.670 41.864 1.00 0.00 O +ATOM 146 H1 TIP3A 49 23.855 53.161 41.208 1.00 0.00 H +ATOM 147 H2 TIP3A 49 23.995 52.965 42.703 1.00 0.00 H +ATOM 148 O1 TIP3A 50 41.220 26.966 56.475 1.00 0.00 O +ATOM 149 H1 TIP3A 50 40.347 26.997 56.085 1.00 0.00 H +ATOM 150 H2 TIP3A 50 41.462 27.885 56.595 1.00 0.00 H +ATOM 151 O1 TIP3A 51 32.204 51.852 45.415 1.00 0.00 O +ATOM 152 H1 TIP3A 51 31.959 51.413 44.601 1.00 0.00 H +ATOM 153 H2 TIP3A 51 31.511 52.498 45.557 1.00 0.00 H +ATOM 154 O1 TIP3A 52 50.063 48.771 14.029 1.00 0.00 O +ATOM 155 H1 TIP3A 52 49.626 47.961 13.768 1.00 0.00 H +ATOM 156 H2 TIP3A 52 49.560 49.464 13.599 1.00 0.00 H +ATOM 157 O1 TIP3A 53 21.842 34.185 39.768 1.00 0.00 O +ATOM 158 H1 TIP3A 53 22.738 34.116 40.096 1.00 0.00 H +ATOM 159 H2 TIP3A 53 21.293 34.022 40.535 1.00 0.00 H +ATOM 160 O1 TIP3A 54 53.827 57.320 51.339 1.00 0.00 O +ATOM 161 H1 TIP3A 54 53.956 57.599 50.433 1.00 0.00 H +ATOM 162 H2 TIP3A 54 52.913 57.038 51.376 1.00 0.00 H +ATOM 163 O1 TIP3A 55 35.866 41.802 1.067 1.00 0.00 O +ATOM 164 H1 TIP3A 55 36.404 41.298 0.457 1.00 0.00 H +ATOM 165 H2 TIP3A 55 35.237 42.261 0.510 1.00 0.00 H +ATOM 166 O1 TIP3A 56 56.652 27.058 8.906 1.00 0.00 O +ATOM 167 H1 TIP3A 56 57.298 26.817 8.242 1.00 0.00 H +ATOM 168 H2 TIP3A 56 57.062 27.777 9.389 1.00 0.00 H +ATOM 169 O1 TIP3A 57 38.212 6.022 17.808 1.00 0.00 O +ATOM 170 H1 TIP3A 57 38.967 5.471 18.010 1.00 0.00 H +ATOM 171 H2 TIP3A 57 37.875 5.674 16.982 1.00 0.00 H +ATOM 172 O1 TIP3A 58 23.454 33.358 31.010 1.00 0.00 O +ATOM 173 H1 TIP3A 58 23.100 33.811 30.246 1.00 0.00 H +ATOM 174 H2 TIP3A 58 24.383 33.237 30.809 1.00 0.00 H +ATOM 175 O1 TIP3A 59 55.849 12.899 24.155 1.00 0.00 O +ATOM 176 H1 TIP3A 59 55.436 12.215 23.630 1.00 0.00 H +ATOM 177 H2 TIP3A 59 55.678 12.643 25.061 1.00 0.00 H +ATOM 178 O1 TIP3A 60 35.787 40.521 20.038 1.00 0.00 O +ATOM 179 H1 TIP3A 60 34.895 40.582 19.696 1.00 0.00 H +ATOM 180 H2 TIP3A 60 36.162 41.389 19.883 1.00 0.00 H +ATOM 181 O1 TIP3A 61 17.578 52.136 5.435 1.00 0.00 O +ATOM 182 H1 TIP3A 61 17.039 51.495 5.898 1.00 0.00 H +ATOM 183 H2 TIP3A 61 17.420 52.960 5.896 1.00 0.00 H +ATOM 184 O1 TIP3A 62 15.912 15.798 28.771 1.00 0.00 O +ATOM 185 H1 TIP3A 62 15.513 15.796 27.901 1.00 0.00 H +ATOM 186 H2 TIP3A 62 15.199 15.553 29.363 1.00 0.00 H +ATOM 187 O1 TIP3A 63 45.326 37.024 36.741 1.00 0.00 O +ATOM 188 H1 TIP3A 63 44.508 36.539 36.644 1.00 0.00 H +ATOM 189 H2 TIP3A 63 45.101 37.925 36.504 1.00 0.00 H +ATOM 190 O1 TIP3A 64 57.223 15.012 33.041 1.00 0.00 O +ATOM 191 H1 TIP3A 64 56.342 14.648 33.125 1.00 0.00 H +ATOM 192 H2 TIP3A 64 57.540 14.682 32.200 1.00 0.00 H +ATOM 193 O1 TIP3A 65 0.563 9.631 22.867 1.00 0.00 O +ATOM 194 H1 TIP3A 65 1.302 10.234 22.938 1.00 0.00 H +ATOM 195 H2 TIP3A 65 -0.002 9.857 23.606 1.00 0.00 H +ATOM 196 O1 TIP3A 66 37.777 30.879 7.550 1.00 0.00 O +ATOM 197 H1 TIP3A 66 37.808 31.833 7.604 1.00 0.00 H +ATOM 198 H2 TIP3A 66 37.721 30.588 8.461 1.00 0.00 H +ATOM 199 O1 TIP3A 67 49.883 9.316 28.159 1.00 0.00 O +ATOM 200 H1 TIP3A 67 49.367 8.594 27.801 1.00 0.00 H +ATOM 201 H2 TIP3A 67 50.682 9.326 27.631 1.00 0.00 H +ATOM 202 O1 TIP3A 68 47.998 20.184 5.474 1.00 0.00 O +ATOM 203 H1 TIP3A 68 47.168 19.872 5.117 1.00 0.00 H +ATOM 204 H2 TIP3A 68 48.621 20.090 4.752 1.00 0.00 H +ATOM 205 O1 TIP3A 69 11.201 50.304 41.865 1.00 0.00 O +ATOM 206 H1 TIP3A 69 10.561 50.954 42.152 1.00 0.00 H +ATOM 207 H2 TIP3A 69 11.607 50.693 41.089 1.00 0.00 H +ATOM 208 O1 TIP3A 70 7.291 6.163 54.867 1.00 0.00 O +ATOM 209 H1 TIP3A 70 8.108 6.526 54.528 1.00 0.00 H +ATOM 210 H2 TIP3A 70 7.306 6.368 55.802 1.00 0.00 H +ATOM 211 O1 TIP3A 71 4.215 56.328 24.911 1.00 0.00 O +ATOM 212 H1 TIP3A 71 3.404 55.875 25.141 1.00 0.00 H +ATOM 213 H2 TIP3A 71 4.265 56.258 23.957 1.00 0.00 H +ATOM 214 O1 TIP3A 72 36.233 12.425 13.602 1.00 0.00 O +ATOM 215 H1 TIP3A 72 35.382 12.543 13.180 1.00 0.00 H +ATOM 216 H2 TIP3A 72 36.759 13.163 13.291 1.00 0.00 H +ATOM 217 O1 TIP3A 73 31.568 32.636 43.693 1.00 0.00 O +ATOM 218 H1 TIP3A 73 32.504 32.499 43.551 1.00 0.00 H +ATOM 219 H2 TIP3A 73 31.494 33.560 43.935 1.00 0.00 H +ATOM 220 O1 TIP3A 74 57.338 22.642 18.111 1.00 0.00 O +ATOM 221 H1 TIP3A 74 57.815 23.466 18.212 1.00 0.00 H +ATOM 222 H2 TIP3A 74 56.425 22.870 18.287 1.00 0.00 H +ATOM 223 O1 TIP3A 75 29.532 56.363 17.938 1.00 0.00 O +ATOM 224 H1 TIP3A 75 30.262 56.918 17.665 1.00 0.00 H +ATOM 225 H2 TIP3A 75 29.192 55.995 17.122 1.00 0.00 H +ATOM 226 O1 TIP3A 76 11.084 10.452 24.183 1.00 0.00 O +ATOM 227 H1 TIP3A 76 11.513 11.302 24.278 1.00 0.00 H +ATOM 228 H2 TIP3A 76 11.275 10.186 23.283 1.00 0.00 H +ATOM 229 O1 TIP3A 77 0.489 20.833 10.034 1.00 0.00 O +ATOM 230 H1 TIP3A 77 1.365 20.930 9.661 1.00 0.00 H +ATOM 231 H2 TIP3A 77 -0.000 20.341 9.374 1.00 0.00 H +ATOM 232 O1 TIP3A 78 55.083 32.266 1.110 1.00 0.00 O +ATOM 233 H1 TIP3A 78 54.783 31.875 0.291 1.00 0.00 H +ATOM 234 H2 TIP3A 78 55.831 32.809 0.857 1.00 0.00 H +ATOM 235 O1 TIP3A 79 30.655 52.844 31.458 1.00 0.00 O +ATOM 236 H1 TIP3A 79 29.861 53.347 31.634 1.00 0.00 H +ATOM 237 H2 TIP3A 79 31.240 53.058 32.186 1.00 0.00 H +ATOM 238 O1 TIP3A 80 28.413 2.691 54.743 1.00 0.00 O +ATOM 239 H1 TIP3A 80 29.276 2.290 54.642 1.00 0.00 H +ATOM 240 H2 TIP3A 80 27.821 2.112 54.260 1.00 0.00 H +ATOM 241 O1 TIP3A 81 50.151 2.965 2.176 1.00 0.00 O +ATOM 242 H1 TIP3A 81 49.327 2.548 1.924 1.00 0.00 H +ATOM 243 H2 TIP3A 81 50.822 2.313 1.971 1.00 0.00 H +ATOM 244 O1 TIP3A 82 30.122 49.298 36.315 1.00 0.00 O +ATOM 245 H1 TIP3A 82 30.556 48.537 36.700 1.00 0.00 H +ATOM 246 H2 TIP3A 82 29.740 48.971 35.500 1.00 0.00 H +ATOM 247 O1 TIP3A 83 3.484 54.975 43.107 1.00 0.00 O +ATOM 248 H1 TIP3A 83 4.252 54.502 42.787 1.00 0.00 H +ATOM 249 H2 TIP3A 83 2.763 54.659 42.561 1.00 0.00 H +ATOM 250 O1 TIP3A 84 22.885 32.198 28.775 1.00 0.00 O +ATOM 251 H1 TIP3A 84 22.947 32.973 28.217 1.00 0.00 H +ATOM 252 H2 TIP3A 84 22.861 31.463 28.162 1.00 0.00 H +ATOM 253 O1 TIP3A 85 25.515 12.800 49.966 1.00 0.00 O +ATOM 254 H1 TIP3A 85 26.112 12.560 50.673 1.00 0.00 H +ATOM 255 H2 TIP3A 85 24.643 12.744 50.358 1.00 0.00 H +ATOM 256 O1 TIP3A 86 15.608 49.825 43.426 1.00 0.00 O +ATOM 257 H1 TIP3A 86 15.316 50.664 43.070 1.00 0.00 H +ATOM 258 H2 TIP3A 86 15.239 49.171 42.832 1.00 0.00 H +ATOM 259 O1 TIP3A 87 57.069 48.678 21.092 1.00 0.00 O +ATOM 260 H1 TIP3A 87 57.052 47.779 21.416 1.00 0.00 H +ATOM 261 H2 TIP3A 87 56.211 48.803 20.684 1.00 0.00 H +ATOM 262 O1 TIP3A 88 46.297 15.127 29.340 1.00 0.00 O +ATOM 263 H1 TIP3A 88 46.851 14.739 28.663 1.00 0.00 H +ATOM 264 H2 TIP3A 88 46.914 15.461 29.992 1.00 0.00 H +ATOM 265 O1 TIP3A 89 18.080 29.404 52.155 1.00 0.00 O +ATOM 266 H1 TIP3A 89 18.706 29.267 51.446 1.00 0.00 H +ATOM 267 H2 TIP3A 89 17.704 30.268 51.980 1.00 0.00 H +ATOM 268 O1 TIP3A 90 37.134 4.389 54.401 1.00 0.00 O +ATOM 269 H1 TIP3A 90 36.319 4.391 54.900 1.00 0.00 H +ATOM 270 H2 TIP3A 90 37.008 5.061 53.731 1.00 0.00 H +ATOM 271 O1 TIP3A 91 46.593 25.804 36.456 1.00 0.00 O +ATOM 272 H1 TIP3A 91 47.269 25.139 36.336 1.00 0.00 H +ATOM 273 H2 TIP3A 91 46.838 26.254 37.265 1.00 0.00 H +ATOM 274 O1 TIP3A 92 42.423 29.799 21.951 1.00 0.00 O +ATOM 275 H1 TIP3A 92 43.101 29.241 22.331 1.00 0.00 H +ATOM 276 H2 TIP3A 92 42.206 29.381 21.118 1.00 0.00 H +ATOM 277 O1 TIP3A 93 45.349 48.935 45.959 1.00 0.00 O +ATOM 278 H1 TIP3A 93 45.521 49.701 46.506 1.00 0.00 H +ATOM 279 H2 TIP3A 93 44.462 48.663 46.199 1.00 0.00 H +ATOM 280 O1 TIP3A 94 6.483 46.804 33.294 1.00 0.00 O +ATOM 281 H1 TIP3A 94 7.017 47.208 33.978 1.00 0.00 H +ATOM 282 H2 TIP3A 94 7.118 46.415 32.692 1.00 0.00 H +ATOM 283 O1 TIP3A 95 7.786 11.449 17.859 1.00 0.00 O +ATOM 284 H1 TIP3A 95 8.480 11.457 17.201 1.00 0.00 H +ATOM 285 H2 TIP3A 95 7.425 12.336 17.838 1.00 0.00 H +ATOM 286 O1 TIP3A 96 41.870 24.753 21.036 1.00 0.00 O +ATOM 287 H1 TIP3A 96 41.495 23.873 21.033 1.00 0.00 H +ATOM 288 H2 TIP3A 96 41.345 25.240 20.400 1.00 0.00 H +ATOM 289 O1 TIP3A 97 54.731 47.628 34.419 1.00 0.00 O +ATOM 290 H1 TIP3A 97 54.432 46.722 34.481 1.00 0.00 H +ATOM 291 H2 TIP3A 97 53.970 48.111 34.096 1.00 0.00 H +ATOM 292 O1 TIP3A 98 45.864 7.613 50.017 1.00 0.00 O +ATOM 293 H1 TIP3A 98 45.837 8.338 49.393 1.00 0.00 H +ATOM 294 H2 TIP3A 98 45.990 8.033 50.868 1.00 0.00 H +ATOM 295 O1 TIP3A 99 24.656 46.103 45.422 1.00 0.00 O +ATOM 296 H1 TIP3A 99 25.424 46.457 45.868 1.00 0.00 H +ATOM 297 H2 TIP3A 99 24.134 46.873 45.195 1.00 0.00 H +ATOM 298 O1 TIP3A 100 32.223 32.432 14.316 1.00 0.00 O +ATOM 299 H1 TIP3A 100 32.279 31.758 14.992 1.00 0.00 H +ATOM 300 H2 TIP3A 100 31.666 32.047 13.638 1.00 0.00 H +ATOM 301 O1 TIP3A 101 55.109 28.294 21.207 1.00 0.00 O +ATOM 302 H1 TIP3A 101 56.034 28.537 21.209 1.00 0.00 H +ATOM 303 H2 TIP3A 101 55.061 27.535 20.626 1.00 0.00 H +ATOM 304 O1 TIP3A 102 19.864 57.847 34.105 1.00 0.00 O +ATOM 305 H1 TIP3A 102 18.929 57.662 34.194 1.00 0.00 H +ATOM 306 H2 TIP3A 102 20.127 57.379 33.312 1.00 0.00 H +ATOM 307 O1 TIP3A 103 29.662 35.247 49.138 1.00 0.00 O +ATOM 308 H1 TIP3A 103 28.724 35.374 49.000 1.00 0.00 H +ATOM 309 H2 TIP3A 103 29.809 34.320 48.948 1.00 0.00 H +ATOM 310 O1 TIP3A 104 36.935 36.946 34.824 1.00 0.00 O +ATOM 311 H1 TIP3A 104 37.606 36.400 34.416 1.00 0.00 H +ATOM 312 H2 TIP3A 104 37.359 37.306 35.604 1.00 0.00 H +ATOM 313 O1 TIP3A 105 5.836 55.934 0.058 1.00 0.00 O +ATOM 314 H1 TIP3A 105 5.871 56.888 -0.000 1.00 0.00 H +ATOM 315 H2 TIP3A 105 5.183 55.758 0.736 1.00 0.00 H +ATOM 316 O1 TIP3A 106 35.067 37.378 27.103 1.00 0.00 O +ATOM 317 H1 TIP3A 106 34.990 37.428 28.055 1.00 0.00 H +ATOM 318 H2 TIP3A 106 34.444 36.697 26.847 1.00 0.00 H +ATOM 319 O1 TIP3A 107 3.609 22.580 21.948 1.00 0.00 O +ATOM 320 H1 TIP3A 107 3.634 22.325 22.870 1.00 0.00 H +ATOM 321 H2 TIP3A 107 3.984 23.461 21.933 1.00 0.00 H +ATOM 322 O1 TIP3A 108 25.004 41.218 56.497 1.00 0.00 O +ATOM 323 H1 TIP3A 108 25.940 41.062 56.377 1.00 0.00 H +ATOM 324 H2 TIP3A 108 24.773 40.705 57.273 1.00 0.00 H +ATOM 325 O1 TIP3A 109 34.858 10.374 36.705 1.00 0.00 O +ATOM 326 H1 TIP3A 109 35.231 9.507 36.859 1.00 0.00 H +ATOM 327 H2 TIP3A 109 34.059 10.389 37.233 1.00 0.00 H +ATOM 328 O1 TIP3A 110 2.107 10.340 37.221 1.00 0.00 O +ATOM 329 H1 TIP3A 110 2.147 9.600 37.827 1.00 0.00 H +ATOM 330 H2 TIP3A 110 2.654 10.075 36.482 1.00 0.00 H +ATOM 331 O1 TIP3A 111 26.289 33.691 6.200 1.00 0.00 O +ATOM 332 H1 TIP3A 111 26.923 34.407 6.204 1.00 0.00 H +ATOM 333 H2 TIP3A 111 25.907 33.704 7.079 1.00 0.00 H +ATOM 334 O1 TIP3A 112 48.657 52.943 18.705 1.00 0.00 O +ATOM 335 H1 TIP3A 112 47.993 53.165 19.357 1.00 0.00 H +ATOM 336 H2 TIP3A 112 48.343 53.347 17.895 1.00 0.00 H +ATOM 337 O1 TIP3A 113 19.896 34.532 27.497 1.00 0.00 O +ATOM 338 H1 TIP3A 113 20.850 34.456 27.490 1.00 0.00 H +ATOM 339 H2 TIP3A 113 19.677 34.881 26.633 1.00 0.00 H +ATOM 340 O1 TIP3A 114 57.179 4.917 52.185 1.00 0.00 O +ATOM 341 H1 TIP3A 114 58.003 4.434 52.225 1.00 0.00 H +ATOM 342 H2 TIP3A 114 57.017 5.193 53.087 1.00 0.00 H +ATOM 343 O1 TIP3A 115 11.299 16.890 13.427 1.00 0.00 O +ATOM 344 H1 TIP3A 115 12.000 16.889 12.776 1.00 0.00 H +ATOM 345 H2 TIP3A 115 11.219 17.808 13.692 1.00 0.00 H +ATOM 346 O1 TIP3A 116 30.089 18.460 45.462 1.00 0.00 O +ATOM 347 H1 TIP3A 116 29.521 19.198 45.681 1.00 0.00 H +ATOM 348 H2 TIP3A 116 30.387 18.641 44.570 1.00 0.00 H +ATOM 349 O1 TIP3A 117 11.198 5.764 28.545 1.00 0.00 O +ATOM 350 H1 TIP3A 117 10.299 5.866 28.236 1.00 0.00 H +ATOM 351 H2 TIP3A 117 11.140 5.112 29.244 1.00 0.00 H +ATOM 352 O1 TIP3A 118 1.373 10.843 9.555 1.00 0.00 O +ATOM 353 H1 TIP3A 118 1.169 10.322 8.780 1.00 0.00 H +ATOM 354 H2 TIP3A 118 2.293 10.651 9.739 1.00 0.00 H +ATOM 355 O1 TIP3A 119 46.009 45.121 41.079 1.00 0.00 O +ATOM 356 H1 TIP3A 119 45.171 45.526 40.860 1.00 0.00 H +ATOM 357 H2 TIP3A 119 46.460 45.033 40.238 1.00 0.00 H +ATOM 358 O1 TIP3A 120 49.385 42.589 5.212 1.00 0.00 O +ATOM 359 H1 TIP3A 120 49.929 43.370 5.317 1.00 0.00 H +ATOM 360 H2 TIP3A 120 50.005 41.892 4.994 1.00 0.00 H +ATOM 361 O1 TIP3A 121 11.330 45.289 34.853 1.00 0.00 O +ATOM 362 H1 TIP3A 121 11.900 45.769 35.452 1.00 0.00 H +ATOM 363 H2 TIP3A 121 11.804 45.284 34.021 1.00 0.00 H +ATOM 364 O1 TIP3A 122 17.153 41.685 0.460 1.00 0.00 O +ATOM 365 H1 TIP3A 122 16.467 41.832 1.110 1.00 0.00 H +ATOM 366 H2 TIP3A 122 17.343 42.555 0.110 1.00 0.00 H +ATOM 367 O1 TIP3A 123 46.635 24.121 8.934 1.00 0.00 O +ATOM 368 H1 TIP3A 123 45.790 23.677 8.991 1.00 0.00 H +ATOM 369 H2 TIP3A 123 47.274 23.413 8.853 1.00 0.00 H +ATOM 370 O1 TIP3A 124 52.676 4.239 23.393 1.00 0.00 O +ATOM 371 H1 TIP3A 124 53.280 3.527 23.598 1.00 0.00 H +ATOM 372 H2 TIP3A 124 53.121 5.028 23.703 1.00 0.00 H +ATOM 373 O1 TIP3A 125 52.123 15.851 3.457 1.00 0.00 O +ATOM 374 H1 TIP3A 125 52.064 15.381 4.288 1.00 0.00 H +ATOM 375 H2 TIP3A 125 51.752 15.246 2.813 1.00 0.00 H +ATOM 376 O1 TIP3A 126 16.747 40.535 26.722 1.00 0.00 O +ATOM 377 H1 TIP3A 126 17.648 40.358 26.455 1.00 0.00 H +ATOM 378 H2 TIP3A 126 16.273 40.663 25.899 1.00 0.00 H +ATOM 379 O1 TIP3A 127 28.815 35.772 3.671 1.00 0.00 O +ATOM 380 H1 TIP3A 127 29.238 36.627 3.748 1.00 0.00 H +ATOM 381 H2 TIP3A 127 28.200 35.741 4.404 1.00 0.00 H +ATOM 382 O1 TIP3A 128 38.763 6.434 20.623 1.00 0.00 O +ATOM 383 H1 TIP3A 128 38.686 5.534 20.308 1.00 0.00 H +ATOM 384 H2 TIP3A 128 39.202 6.901 19.912 1.00 0.00 H +ATOM 385 O1 TIP3A 129 29.530 41.873 37.826 1.00 0.00 O +ATOM 386 H1 TIP3A 129 28.865 41.245 38.106 1.00 0.00 H +ATOM 387 H2 TIP3A 129 29.046 42.522 37.314 1.00 0.00 H +ATOM 388 O1 TIP3A 130 19.803 22.592 25.408 1.00 0.00 O +ATOM 389 H1 TIP3A 130 19.625 22.263 26.289 1.00 0.00 H +ATOM 390 H2 TIP3A 130 20.342 21.912 25.003 1.00 0.00 H +ATOM 391 O1 TIP3A 131 54.356 9.806 17.126 1.00 0.00 O +ATOM 392 H1 TIP3A 131 53.858 10.238 16.433 1.00 0.00 H +ATOM 393 H2 TIP3A 131 54.956 10.480 17.446 1.00 0.00 H +ATOM 394 O1 TIP3A 132 16.102 22.338 49.086 1.00 0.00 O +ATOM 395 H1 TIP3A 132 15.988 21.390 49.027 1.00 0.00 H +ATOM 396 H2 TIP3A 132 16.791 22.456 49.740 1.00 0.00 H +ATOM 397 O1 TIP3A 133 5.133 40.232 5.022 1.00 0.00 O +ATOM 398 H1 TIP3A 133 4.599 40.772 4.440 1.00 0.00 H +ATOM 399 H2 TIP3A 133 4.548 39.527 5.300 1.00 0.00 H +ATOM 400 O1 TIP3A 134 37.571 3.381 40.449 1.00 0.00 O +ATOM 401 H1 TIP3A 134 37.673 2.593 39.916 1.00 0.00 H +ATOM 402 H2 TIP3A 134 37.071 3.982 39.895 1.00 0.00 H +ATOM 403 O1 TIP3A 135 38.863 5.159 50.480 1.00 0.00 O +ATOM 404 H1 TIP3A 135 38.411 4.323 50.586 1.00 0.00 H +ATOM 405 H2 TIP3A 135 39.662 5.068 51.000 1.00 0.00 H +ATOM 406 O1 TIP3A 136 50.540 56.189 30.993 1.00 0.00 O +ATOM 407 H1 TIP3A 136 50.965 56.709 30.311 1.00 0.00 H +ATOM 408 H2 TIP3A 136 49.913 55.640 30.521 1.00 0.00 H +ATOM 409 O1 TIP3A 137 8.933 33.334 32.642 1.00 0.00 O +ATOM 410 H1 TIP3A 137 9.064 32.416 32.877 1.00 0.00 H +ATOM 411 H2 TIP3A 137 8.068 33.550 32.992 1.00 0.00 H +ATOM 412 O1 TIP3A 138 32.657 45.122 1.515 1.00 0.00 O +ATOM 413 H1 TIP3A 138 32.928 44.219 1.679 1.00 0.00 H +ATOM 414 H2 TIP3A 138 33.115 45.635 2.182 1.00 0.00 H +ATOM 415 O1 TIP3A 139 57.322 55.665 45.497 1.00 0.00 O +ATOM 416 H1 TIP3A 139 56.366 55.693 45.472 1.00 0.00 H +ATOM 417 H2 TIP3A 139 57.540 54.748 45.328 1.00 0.00 H +ATOM 418 O1 TIP3A 140 27.487 25.431 48.758 1.00 0.00 O +ATOM 419 H1 TIP3A 140 27.203 25.289 49.660 1.00 0.00 H +ATOM 420 H2 TIP3A 140 27.733 26.356 48.727 1.00 0.00 H +ATOM 421 O1 TIP3A 141 31.266 7.753 55.505 1.00 0.00 O +ATOM 422 H1 TIP3A 141 32.191 7.782 55.745 1.00 0.00 H +ATOM 423 H2 TIP3A 141 30.808 8.088 56.277 1.00 0.00 H +ATOM 424 O1 TIP3A 142 39.210 42.251 10.081 1.00 0.00 O +ATOM 425 H1 TIP3A 142 39.370 43.138 10.400 1.00 0.00 H +ATOM 426 H2 TIP3A 142 38.827 41.792 10.829 1.00 0.00 H +ATOM 427 O1 TIP3A 143 52.786 52.270 5.104 1.00 0.00 O +ATOM 428 H1 TIP3A 143 52.889 52.256 4.153 1.00 0.00 H +ATOM 429 H2 TIP3A 143 53.639 52.555 5.434 1.00 0.00 H +ATOM 430 O1 TIP3A 144 39.256 6.271 36.958 1.00 0.00 O +ATOM 431 H1 TIP3A 144 40.086 6.210 37.431 1.00 0.00 H +ATOM 432 H2 TIP3A 144 38.949 7.163 37.127 1.00 0.00 H +ATOM 433 O1 TIP3A 145 47.142 26.428 49.987 1.00 0.00 O +ATOM 434 H1 TIP3A 145 46.725 25.581 49.828 1.00 0.00 H +ATOM 435 H2 TIP3A 145 47.756 26.533 49.259 1.00 0.00 H +ATOM 436 O1 TIP3A 146 29.649 25.919 4.046 1.00 0.00 O +ATOM 437 H1 TIP3A 146 29.396 26.839 4.106 1.00 0.00 H +ATOM 438 H2 TIP3A 146 30.456 25.925 3.530 1.00 0.00 H +ATOM 439 O1 TIP3A 147 46.184 31.422 2.840 1.00 0.00 O +ATOM 440 H1 TIP3A 147 46.419 30.545 2.540 1.00 0.00 H +ATOM 441 H2 TIP3A 147 46.713 31.557 3.626 1.00 0.00 H +ATOM 442 O1 TIP3A 148 8.964 7.501 57.165 1.00 0.00 O +ATOM 443 H1 TIP3A 148 8.711 7.888 58.002 1.00 0.00 H +ATOM 444 H2 TIP3A 148 9.331 6.647 57.396 1.00 0.00 H +ATOM 445 O1 TIP3A 149 24.420 49.301 36.309 1.00 0.00 O +ATOM 446 H1 TIP3A 149 23.897 49.965 36.757 1.00 0.00 H +ATOM 447 H2 TIP3A 149 24.754 49.745 35.529 1.00 0.00 H +ATOM 448 O1 TIP3A 150 49.978 6.096 52.278 1.00 0.00 O +ATOM 449 H1 TIP3A 150 49.794 6.853 51.723 1.00 0.00 H +ATOM 450 H2 TIP3A 150 50.906 5.911 52.131 1.00 0.00 H +ATOM 451 O1 TIP3A 151 39.422 7.949 56.285 1.00 0.00 O +ATOM 452 H1 TIP3A 151 38.677 8.524 56.454 1.00 0.00 H +ATOM 453 H2 TIP3A 151 39.059 7.064 56.335 1.00 0.00 H +ATOM 454 O1 TIP3A 152 17.259 19.863 22.175 1.00 0.00 O +ATOM 455 H1 TIP3A 152 16.986 20.644 21.695 1.00 0.00 H +ATOM 456 H2 TIP3A 152 16.737 19.880 22.978 1.00 0.00 H +ATOM 457 O1 TIP3A 153 53.504 43.645 49.197 1.00 0.00 O +ATOM 458 H1 TIP3A 153 53.262 43.335 50.069 1.00 0.00 H +ATOM 459 H2 TIP3A 153 53.575 42.848 48.670 1.00 0.00 H +ATOM 460 O1 TIP3A 154 37.514 27.091 1.077 1.00 0.00 O +ATOM 461 H1 TIP3A 154 37.160 26.775 1.907 1.00 0.00 H +ATOM 462 H2 TIP3A 154 37.585 26.307 0.531 1.00 0.00 H +ATOM 463 O1 TIP3A 155 18.221 51.753 44.718 1.00 0.00 O +ATOM 464 H1 TIP3A 155 17.386 52.103 44.409 1.00 0.00 H +ATOM 465 H2 TIP3A 155 18.869 52.105 44.107 1.00 0.00 H +ATOM 466 O1 TIP3A 156 22.965 45.107 33.052 1.00 0.00 O +ATOM 467 H1 TIP3A 156 22.469 44.651 33.731 1.00 0.00 H +ATOM 468 H2 TIP3A 156 22.484 45.923 32.910 1.00 0.00 H +ATOM 469 O1 TIP3A 157 0.727 36.594 22.611 1.00 0.00 O +ATOM 470 H1 TIP3A 157 0.507 35.871 22.024 1.00 0.00 H +ATOM 471 H2 TIP3A 157 0.077 36.540 23.312 1.00 0.00 H +ATOM 472 O1 TIP3A 158 43.970 27.955 1.177 1.00 0.00 O +ATOM 473 H1 TIP3A 158 43.851 28.904 1.154 1.00 0.00 H +ATOM 474 H2 TIP3A 158 43.081 27.601 1.129 1.00 0.00 H +ATOM 475 O1 TIP3A 159 46.630 31.900 20.584 1.00 0.00 O +ATOM 476 H1 TIP3A 159 46.537 31.079 21.066 1.00 0.00 H +ATOM 477 H2 TIP3A 159 47.518 31.869 20.225 1.00 0.00 H +ATOM 478 O1 TIP3A 160 56.964 37.732 16.359 1.00 0.00 O +ATOM 479 H1 TIP3A 160 57.121 36.909 15.897 1.00 0.00 H +ATOM 480 H2 TIP3A 160 56.152 38.069 15.980 1.00 0.00 H +ATOM 481 O1 TIP3A 161 0.644 30.393 35.492 1.00 0.00 O +ATOM 482 H1 TIP3A 161 0.424 29.464 35.559 1.00 0.00 H +ATOM 483 H2 TIP3A 161 1.545 30.449 35.810 1.00 0.00 H +ATOM 484 O1 TIP3A 162 22.552 31.849 11.147 1.00 0.00 O +ATOM 485 H1 TIP3A 162 23.412 31.447 11.028 1.00 0.00 H +ATOM 486 H2 TIP3A 162 22.013 31.475 10.450 1.00 0.00 H +ATOM 487 O1 TIP3A 163 3.805 9.483 29.649 1.00 0.00 O +ATOM 488 H1 TIP3A 163 4.612 9.624 29.154 1.00 0.00 H +ATOM 489 H2 TIP3A 163 4.090 9.045 30.452 1.00 0.00 H +ATOM 490 O1 TIP3A 164 12.981 57.240 46.622 1.00 0.00 O +ATOM 491 H1 TIP3A 164 13.372 56.368 46.586 1.00 0.00 H +ATOM 492 H2 TIP3A 164 13.719 57.827 46.791 1.00 0.00 H +ATOM 493 O1 TIP3A 165 55.560 13.336 17.224 1.00 0.00 O +ATOM 494 H1 TIP3A 165 54.679 13.600 17.487 1.00 0.00 H +ATOM 495 H2 TIP3A 165 55.422 12.596 16.631 1.00 0.00 H +ATOM 496 O1 TIP3A 166 8.708 20.230 24.123 1.00 0.00 O +ATOM 497 H1 TIP3A 166 9.630 20.127 23.890 1.00 0.00 H +ATOM 498 H2 TIP3A 166 8.300 20.592 23.336 1.00 0.00 H +ATOM 499 O1 TIP3A 167 55.858 52.475 33.368 1.00 0.00 O +ATOM 500 H1 TIP3A 167 56.389 52.054 32.693 1.00 0.00 H +ATOM 501 H2 TIP3A 167 56.363 53.247 33.625 1.00 0.00 H +ATOM 502 O1 TIP3A 168 49.898 46.690 42.401 1.00 0.00 O +ATOM 503 H1 TIP3A 168 49.895 47.509 41.908 1.00 0.00 H +ATOM 504 H2 TIP3A 168 50.547 46.144 41.957 1.00 0.00 H +ATOM 505 O1 TIP3A 169 29.116 37.186 36.048 1.00 0.00 O +ATOM 506 H1 TIP3A 169 29.845 36.569 36.108 1.00 0.00 H +ATOM 507 H2 TIP3A 169 28.579 36.854 35.328 1.00 0.00 H +ATOM 508 O1 TIP3A 170 31.703 4.396 37.158 1.00 0.00 O +ATOM 509 H1 TIP3A 170 32.607 4.677 37.296 1.00 0.00 H +ATOM 510 H2 TIP3A 170 31.307 5.103 36.648 1.00 0.00 H +ATOM 511 O1 TIP3A 171 43.697 23.641 16.852 1.00 0.00 O +ATOM 512 H1 TIP3A 171 44.603 23.620 17.159 1.00 0.00 H +ATOM 513 H2 TIP3A 171 43.189 23.899 17.622 1.00 0.00 H +ATOM 514 O1 TIP3A 172 35.785 21.591 49.960 1.00 0.00 O +ATOM 515 H1 TIP3A 172 34.897 21.947 49.996 1.00 0.00 H +ATOM 516 H2 TIP3A 172 35.789 20.890 50.612 1.00 0.00 H +ATOM 517 O1 TIP3A 173 44.981 20.865 27.845 1.00 0.00 O +ATOM 518 H1 TIP3A 173 45.407 20.060 27.553 1.00 0.00 H +ATOM 519 H2 TIP3A 173 45.530 21.180 28.564 1.00 0.00 H +ATOM 520 O1 TIP3A 174 16.181 33.754 7.243 1.00 0.00 O +ATOM 521 H1 TIP3A 174 17.036 34.181 7.211 1.00 0.00 H +ATOM 522 H2 TIP3A 174 16.236 33.055 6.591 1.00 0.00 H +ATOM 523 O1 TIP3A 175 50.110 2.105 28.320 1.00 0.00 O +ATOM 524 H1 TIP3A 175 49.402 1.504 28.548 1.00 0.00 H +ATOM 525 H2 TIP3A 175 50.056 2.800 28.976 1.00 0.00 H +ATOM 526 O1 TIP3A 176 30.479 46.479 54.229 1.00 0.00 O +ATOM 527 H1 TIP3A 176 29.560 46.646 54.435 1.00 0.00 H +ATOM 528 H2 TIP3A 176 30.956 46.771 55.007 1.00 0.00 H +ATOM 529 O1 TIP3A 177 36.529 8.382 38.514 1.00 0.00 O +ATOM 530 H1 TIP3A 177 36.168 7.497 38.470 1.00 0.00 H +ATOM 531 H2 TIP3A 177 37.457 8.253 38.713 1.00 0.00 H +ATOM 532 O1 TIP3A 178 41.632 12.439 5.378 1.00 0.00 O +ATOM 533 H1 TIP3A 178 40.919 12.985 5.048 1.00 0.00 H +ATOM 534 H2 TIP3A 178 41.204 11.633 5.667 1.00 0.00 H +ATOM 535 O1 TIP3A 179 34.358 54.758 37.175 1.00 0.00 O +ATOM 536 H1 TIP3A 179 33.944 55.620 37.204 1.00 0.00 H +ATOM 537 H2 TIP3A 179 35.223 54.921 36.797 1.00 0.00 H +ATOM 538 O1 TIP3A 180 19.833 19.735 43.813 1.00 0.00 O +ATOM 539 H1 TIP3A 180 20.646 19.248 43.946 1.00 0.00 H +ATOM 540 H2 TIP3A 180 19.919 20.504 44.377 1.00 0.00 H +ATOM 541 O1 TIP3A 181 40.406 45.097 8.480 1.00 0.00 O +ATOM 542 H1 TIP3A 181 40.480 44.196 8.793 1.00 0.00 H +ATOM 543 H2 TIP3A 181 40.737 45.630 9.204 1.00 0.00 H +ATOM 544 O1 TIP3A 182 7.327 23.667 25.131 1.00 0.00 O +ATOM 545 H1 TIP3A 182 8.028 24.201 25.505 1.00 0.00 H +ATOM 546 H2 TIP3A 182 7.776 23.058 24.544 1.00 0.00 H +ATOM 547 O1 TIP3A 183 28.870 15.211 35.736 1.00 0.00 O +ATOM 548 H1 TIP3A 183 29.793 15.413 35.583 1.00 0.00 H +ATOM 549 H2 TIP3A 183 28.638 15.724 36.510 1.00 0.00 H +ATOM 550 O1 TIP3A 184 24.655 31.811 24.988 1.00 0.00 O +ATOM 551 H1 TIP3A 184 24.494 31.391 25.833 1.00 0.00 H +ATOM 552 H2 TIP3A 184 23.781 31.972 24.631 1.00 0.00 H +ATOM 553 O1 TIP3A 185 34.197 30.040 43.228 1.00 0.00 O +ATOM 554 H1 TIP3A 185 34.177 30.490 42.385 1.00 0.00 H +ATOM 555 H2 TIP3A 185 33.578 30.526 43.774 1.00 0.00 H +ATOM 556 O1 TIP3A 186 8.497 29.247 25.777 1.00 0.00 O +ATOM 557 H1 TIP3A 186 8.455 28.556 25.117 1.00 0.00 H +ATOM 558 H2 TIP3A 186 9.364 29.148 26.174 1.00 0.00 H +ATOM 559 O1 TIP3A 187 16.692 8.194 55.375 1.00 0.00 O +ATOM 560 H1 TIP3A 187 16.848 9.000 54.884 1.00 0.00 H +ATOM 561 H2 TIP3A 187 17.508 8.042 55.853 1.00 0.00 H +ATOM 562 O1 TIP3A 188 10.329 3.407 39.142 1.00 0.00 O +ATOM 563 H1 TIP3A 188 11.197 3.133 38.846 1.00 0.00 H +ATOM 564 H2 TIP3A 188 10.154 4.214 38.656 1.00 0.00 H +ATOM 565 O1 TIP3A 189 21.965 31.540 18.759 1.00 0.00 O +ATOM 566 H1 TIP3A 189 21.327 30.924 19.117 1.00 0.00 H +ATOM 567 H2 TIP3A 189 22.722 30.999 18.534 1.00 0.00 H +ATOM 568 O1 TIP3A 190 14.083 34.258 22.014 1.00 0.00 O +ATOM 569 H1 TIP3A 190 13.290 34.692 22.326 1.00 0.00 H +ATOM 570 H2 TIP3A 190 13.765 33.561 21.439 1.00 0.00 H +ATOM 571 O1 TIP3A 191 51.406 47.637 21.916 1.00 0.00 O +ATOM 572 H1 TIP3A 191 50.673 48.225 21.735 1.00 0.00 H +ATOM 573 H2 TIP3A 191 51.029 46.944 22.460 1.00 0.00 H +ATOM 574 O1 TIP3A 192 29.872 20.733 4.633 1.00 0.00 O +ATOM 575 H1 TIP3A 192 30.700 21.177 4.812 1.00 0.00 H +ATOM 576 H2 TIP3A 192 30.090 20.075 3.972 1.00 0.00 H +ATOM 577 O1 TIP3A 193 10.206 34.420 24.481 1.00 0.00 O +ATOM 578 H1 TIP3A 193 10.541 34.306 25.370 1.00 0.00 H +ATOM 579 H2 TIP3A 193 10.617 33.717 23.977 1.00 0.00 H +ATOM 580 O1 TIP3A 194 45.580 52.221 0.189 1.00 0.00 O +ATOM 581 H1 TIP3A 194 45.377 53.155 0.189 1.00 0.00 H +ATOM 582 H2 TIP3A 194 45.544 51.967 1.111 1.00 0.00 H +ATOM 583 O1 TIP3A 195 52.276 25.204 25.640 1.00 0.00 O +ATOM 584 H1 TIP3A 195 52.263 25.426 26.570 1.00 0.00 H +ATOM 585 H2 TIP3A 195 52.185 24.251 25.619 1.00 0.00 H +ATOM 586 O1 TIP3A 196 46.468 3.340 18.196 1.00 0.00 O +ATOM 587 H1 TIP3A 196 46.170 2.879 18.979 1.00 0.00 H +ATOM 588 H2 TIP3A 196 45.675 3.735 17.833 1.00 0.00 H +ATOM 589 O1 TIP3A 197 27.979 17.342 15.941 1.00 0.00 O +ATOM 590 H1 TIP3A 197 28.023 16.463 15.568 1.00 0.00 H +ATOM 591 H2 TIP3A 197 27.620 17.212 16.820 1.00 0.00 H +ATOM 592 O1 TIP3A 198 47.171 44.533 10.140 1.00 0.00 O +ATOM 593 H1 TIP3A 198 46.548 43.991 9.658 1.00 0.00 H +ATOM 594 H2 TIP3A 198 46.966 45.430 9.874 1.00 0.00 H +ATOM 595 O1 TIP3A 199 43.052 17.636 42.591 1.00 0.00 O +ATOM 596 H1 TIP3A 199 43.937 17.935 42.797 1.00 0.00 H +ATOM 597 H2 TIP3A 199 43.161 17.070 41.827 1.00 0.00 H +ATOM 598 O1 TIP3A 200 24.798 57.913 7.148 1.00 0.00 O +ATOM 599 H1 TIP3A 200 25.368 57.893 7.916 1.00 0.00 H +ATOM 600 H2 TIP3A 200 24.928 57.061 6.730 1.00 0.00 H +ATOM 601 O1 TIP3A 201 50.088 27.552 52.314 1.00 0.00 O +ATOM 602 H1 TIP3A 201 49.493 28.226 51.987 1.00 0.00 H +ATOM 603 H2 TIP3A 201 50.824 28.040 52.684 1.00 0.00 H +ATOM 604 O1 TIP3A 202 20.439 30.277 55.392 1.00 0.00 O +ATOM 605 H1 TIP3A 202 20.130 31.182 55.382 1.00 0.00 H +ATOM 606 H2 TIP3A 202 21.321 30.321 55.022 1.00 0.00 H +ATOM 607 O1 TIP3A 203 28.241 6.637 9.259 1.00 0.00 O +ATOM 608 H1 TIP3A 203 29.180 6.563 9.097 1.00 0.00 H +ATOM 609 H2 TIP3A 203 27.834 6.140 8.548 1.00 0.00 H +ATOM 610 O1 TIP3A 204 30.758 53.683 8.276 1.00 0.00 O +ATOM 611 H1 TIP3A 204 29.805 53.625 8.217 1.00 0.00 H +ATOM 612 H2 TIP3A 204 31.075 53.207 7.508 1.00 0.00 H +ATOM 613 O1 TIP3A 205 2.469 40.164 55.140 1.00 0.00 O +ATOM 614 H1 TIP3A 205 2.940 40.859 55.597 1.00 0.00 H +ATOM 615 H2 TIP3A 205 2.097 39.625 55.840 1.00 0.00 H +ATOM 616 O1 TIP3A 206 39.004 4.141 22.635 1.00 0.00 O +ATOM 617 H1 TIP3A 206 38.481 4.918 22.444 1.00 0.00 H +ATOM 618 H2 TIP3A 206 39.538 4.011 21.851 1.00 0.00 H +ATOM 619 O1 TIP3A 207 30.815 52.615 14.207 1.00 0.00 O +ATOM 620 H1 TIP3A 207 31.016 53.503 13.913 1.00 0.00 H +ATOM 621 H2 TIP3A 207 31.292 52.048 13.601 1.00 0.00 H +ATOM 622 O1 TIP3A 208 40.565 0.251 30.424 1.00 0.00 O +ATOM 623 H1 TIP3A 208 40.127 0.500 31.238 1.00 0.00 H +ATOM 624 H2 TIP3A 208 40.563 1.051 29.896 1.00 0.00 H +ATOM 625 O1 TIP3A 209 10.129 30.674 41.974 1.00 0.00 O +ATOM 626 H1 TIP3A 209 10.989 30.267 41.869 1.00 0.00 H +ATOM 627 H2 TIP3A 209 9.954 30.625 42.914 1.00 0.00 H +ATOM 628 O1 TIP3A 210 48.270 3.991 6.077 1.00 0.00 O +ATOM 629 H1 TIP3A 210 48.744 4.770 5.788 1.00 0.00 H +ATOM 630 H2 TIP3A 210 48.945 3.425 6.452 1.00 0.00 H +ATOM 631 O1 TIP3A 211 18.030 39.027 23.523 1.00 0.00 O +ATOM 632 H1 TIP3A 211 18.322 38.167 23.825 1.00 0.00 H +ATOM 633 H2 TIP3A 211 17.205 39.176 23.984 1.00 0.00 H +ATOM 634 O1 TIP3A 212 20.644 40.615 22.712 1.00 0.00 O +ATOM 635 H1 TIP3A 212 21.270 40.340 22.042 1.00 0.00 H +ATOM 636 H2 TIP3A 212 20.364 41.488 22.435 1.00 0.00 H +ATOM 637 O1 TIP3A 213 52.641 38.958 28.932 1.00 0.00 O +ATOM 638 H1 TIP3A 213 52.614 39.912 28.867 1.00 0.00 H +ATOM 639 H2 TIP3A 213 53.530 38.724 28.662 1.00 0.00 H +ATOM 640 O1 TIP3A 214 41.013 6.338 5.706 1.00 0.00 O +ATOM 641 H1 TIP3A 214 40.083 6.240 5.503 1.00 0.00 H +ATOM 642 H2 TIP3A 214 41.029 6.647 6.612 1.00 0.00 H +ATOM 643 O1 TIP3A 215 13.430 36.211 7.706 1.00 0.00 O +ATOM 644 H1 TIP3A 215 12.804 35.500 7.842 1.00 0.00 H +ATOM 645 H2 TIP3A 215 13.024 36.764 7.039 1.00 0.00 H +ATOM 646 O1 TIP3A 216 34.299 40.230 43.929 1.00 0.00 O +ATOM 647 H1 TIP3A 216 34.194 41.001 43.373 1.00 0.00 H +ATOM 648 H2 TIP3A 216 33.608 40.311 44.586 1.00 0.00 H +ATOM 649 O1 TIP3A 217 44.181 44.372 5.592 1.00 0.00 O +ATOM 650 H1 TIP3A 217 44.942 44.107 5.075 1.00 0.00 H +ATOM 651 H2 TIP3A 217 43.528 43.691 5.425 1.00 0.00 H +ATOM 652 O1 TIP3A 218 38.740 19.484 5.137 1.00 0.00 O +ATOM 653 H1 TIP3A 218 37.805 19.298 5.057 1.00 0.00 H +ATOM 654 H2 TIP3A 218 38.828 19.907 5.992 1.00 0.00 H +ATOM 655 O1 TIP3A 219 55.299 7.684 50.087 1.00 0.00 O +ATOM 656 H1 TIP3A 219 55.313 7.024 49.395 1.00 0.00 H +ATOM 657 H2 TIP3A 219 54.849 7.257 50.817 1.00 0.00 H +ATOM 658 O1 TIP3A 220 21.857 32.473 54.847 1.00 0.00 O +ATOM 659 H1 TIP3A 220 21.940 33.207 54.240 1.00 0.00 H +ATOM 660 H2 TIP3A 220 21.971 32.864 55.714 1.00 0.00 H +ATOM 661 O1 TIP3A 221 10.352 14.019 48.268 1.00 0.00 O +ATOM 662 H1 TIP3A 221 11.244 13.703 48.408 1.00 0.00 H +ATOM 663 H2 TIP3A 221 10.295 14.817 48.794 1.00 0.00 H +ATOM 664 O1 TIP3A 222 26.711 24.820 26.560 1.00 0.00 O +ATOM 665 H1 TIP3A 222 26.852 24.773 27.505 1.00 0.00 H +ATOM 666 H2 TIP3A 222 27.384 24.250 26.188 1.00 0.00 H +ATOM 667 O1 TIP3A 223 30.030 7.222 46.468 1.00 0.00 O +ATOM 668 H1 TIP3A 223 30.394 7.921 45.926 1.00 0.00 H +ATOM 669 H2 TIP3A 223 30.686 6.525 46.434 1.00 0.00 H +ATOM 670 O1 TIP3A 224 34.900 42.107 5.812 1.00 0.00 O +ATOM 671 H1 TIP3A 224 34.772 41.159 5.845 1.00 0.00 H +ATOM 672 H2 TIP3A 224 34.022 42.471 5.922 1.00 0.00 H +ATOM 673 O1 TIP3A 225 43.333 16.077 23.586 1.00 0.00 O +ATOM 674 H1 TIP3A 225 43.520 16.729 24.260 1.00 0.00 H +ATOM 675 H2 TIP3A 225 42.390 16.153 23.434 1.00 0.00 H +ATOM 676 O1 TIP3A 226 29.293 18.336 20.657 1.00 0.00 O +ATOM 677 H1 TIP3A 226 29.298 18.407 19.703 1.00 0.00 H +ATOM 678 H2 TIP3A 226 29.735 17.505 20.837 1.00 0.00 H +ATOM 679 O1 TIP3A 227 10.240 3.307 6.743 1.00 0.00 O +ATOM 680 H1 TIP3A 227 9.387 3.737 6.689 1.00 0.00 H +ATOM 681 H2 TIP3A 227 10.775 3.752 6.084 1.00 0.00 H +ATOM 682 O1 TIP3A 228 4.377 27.788 14.526 1.00 0.00 O +ATOM 683 H1 TIP3A 228 4.911 27.004 14.402 1.00 0.00 H +ATOM 684 H2 TIP3A 228 4.745 28.427 13.915 1.00 0.00 H +ATOM 685 O1 TIP3A 229 31.949 13.561 53.149 1.00 0.00 O +ATOM 686 H1 TIP3A 229 32.890 13.568 53.321 1.00 0.00 H +ATOM 687 H2 TIP3A 229 31.818 12.820 52.557 1.00 0.00 H +ATOM 688 O1 TIP3A 230 44.235 50.025 12.251 1.00 0.00 O +ATOM 689 H1 TIP3A 230 43.281 50.043 12.181 1.00 0.00 H +ATOM 690 H2 TIP3A 230 44.532 50.728 11.672 1.00 0.00 H +ATOM 691 O1 TIP3A 231 27.320 43.900 18.591 1.00 0.00 O +ATOM 692 H1 TIP3A 231 27.119 43.016 18.897 1.00 0.00 H +ATOM 693 H2 TIP3A 231 26.791 44.005 17.799 1.00 0.00 H +ATOM 694 O1 TIP3A 232 50.246 31.020 2.446 1.00 0.00 O +ATOM 695 H1 TIP3A 232 49.634 30.722 3.117 1.00 0.00 H +ATOM 696 H2 TIP3A 232 49.879 31.848 2.135 1.00 0.00 H +ATOM 697 O1 TIP3A 233 51.102 24.631 38.530 1.00 0.00 O +ATOM 698 H1 TIP3A 233 51.681 25.348 38.789 1.00 0.00 H +ATOM 699 H2 TIP3A 233 50.540 24.489 39.293 1.00 0.00 H +ATOM 700 O1 TIP3A 234 35.485 7.459 56.038 1.00 0.00 O +ATOM 701 H1 TIP3A 234 36.112 7.512 56.759 1.00 0.00 H +ATOM 702 H2 TIP3A 234 34.742 7.991 56.327 1.00 0.00 H +ATOM 703 O1 TIP3A 235 51.064 52.740 8.474 1.00 0.00 O +ATOM 704 H1 TIP3A 235 51.311 51.816 8.452 1.00 0.00 H +ATOM 705 H2 TIP3A 235 51.088 52.973 9.402 1.00 0.00 H +ATOM 706 O1 TIP3A 236 42.331 27.257 18.509 1.00 0.00 O +ATOM 707 H1 TIP3A 236 43.062 27.836 18.293 1.00 0.00 H +ATOM 708 H2 TIP3A 236 42.244 27.325 19.460 1.00 0.00 H +ATOM 709 O1 TIP3A 237 2.176 57.287 41.933 1.00 0.00 O +ATOM 710 H1 TIP3A 237 2.901 56.726 41.659 1.00 0.00 H +ATOM 711 H2 TIP3A 237 2.042 57.884 41.195 1.00 0.00 H +ATOM 712 O1 TIP3A 238 41.197 48.358 45.700 1.00 0.00 O +ATOM 713 H1 TIP3A 238 40.750 49.050 45.212 1.00 0.00 H +ATOM 714 H2 TIP3A 238 41.515 48.791 46.493 1.00 0.00 H +ATOM 715 O1 TIP3A 239 36.722 54.902 19.408 1.00 0.00 O +ATOM 716 H1 TIP3A 239 35.795 54.910 19.646 1.00 0.00 H +ATOM 717 H2 TIP3A 239 36.747 55.281 18.529 1.00 0.00 H +ATOM 718 O1 TIP3A 240 22.362 22.278 34.781 1.00 0.00 O +ATOM 719 H1 TIP3A 240 23.310 22.295 34.653 1.00 0.00 H +ATOM 720 H2 TIP3A 240 22.238 22.543 35.693 1.00 0.00 H +ATOM 721 O1 TIP3A 241 30.597 27.907 50.616 1.00 0.00 O +ATOM 722 H1 TIP3A 241 31.112 27.542 49.898 1.00 0.00 H +ATOM 723 H2 TIP3A 241 29.689 27.839 50.319 1.00 0.00 H +ATOM 724 O1 TIP3A 242 29.120 44.892 28.012 1.00 0.00 O +ATOM 725 H1 TIP3A 242 28.592 45.677 28.155 1.00 0.00 H +ATOM 726 H2 TIP3A 242 28.683 44.211 28.526 1.00 0.00 H +ATOM 727 O1 TIP3A 243 9.494 33.037 2.378 1.00 0.00 O +ATOM 728 H1 TIP3A 243 8.689 33.509 2.588 1.00 0.00 H +ATOM 729 H2 TIP3A 243 9.550 32.350 3.043 1.00 0.00 H +ATOM 730 O1 TIP3A 244 40.759 5.642 2.430 1.00 0.00 O +ATOM 731 H1 TIP3A 244 40.132 6.364 2.419 1.00 0.00 H +ATOM 732 H2 TIP3A 244 41.527 5.984 1.971 1.00 0.00 H +ATOM 733 O1 TIP3A 245 3.936 22.866 54.225 1.00 0.00 O +ATOM 734 H1 TIP3A 245 3.594 22.305 54.920 1.00 0.00 H +ATOM 735 H2 TIP3A 245 3.793 23.757 54.543 1.00 0.00 H +ATOM 736 O1 TIP3A 246 51.611 27.311 4.496 1.00 0.00 O +ATOM 737 H1 TIP3A 246 52.481 27.639 4.721 1.00 0.00 H +ATOM 738 H2 TIP3A 246 51.032 27.695 5.155 1.00 0.00 H +ATOM 739 O1 TIP3A 247 43.793 39.585 24.926 1.00 0.00 O +ATOM 740 H1 TIP3A 247 44.633 39.719 24.488 1.00 0.00 H +ATOM 741 H2 TIP3A 247 44.011 39.101 25.723 1.00 0.00 H +ATOM 742 O1 TIP3A 248 11.575 55.082 27.760 1.00 0.00 O +ATOM 743 H1 TIP3A 248 11.005 55.036 28.526 1.00 0.00 H +ATOM 744 H2 TIP3A 248 11.397 54.273 27.279 1.00 0.00 H +ATOM 745 O1 TIP3A 249 0.535 39.404 29.683 1.00 0.00 O +ATOM 746 H1 TIP3A 249 0.294 38.483 29.775 1.00 0.00 H +ATOM 747 H2 TIP3A 249 1.400 39.387 29.274 1.00 0.00 H +ATOM 748 O1 TIP3A 250 23.204 23.806 22.489 1.00 0.00 O +ATOM 749 H1 TIP3A 250 24.022 24.281 22.634 1.00 0.00 H +ATOM 750 H2 TIP3A 250 23.198 23.618 21.550 1.00 0.00 H +ATOM 751 O1 TIP3A 251 2.908 32.520 13.424 1.00 0.00 O +ATOM 752 H1 TIP3A 251 2.622 33.180 12.793 1.00 0.00 H +ATOM 753 H2 TIP3A 251 3.748 32.847 13.749 1.00 0.00 H +ATOM 754 O1 TIP3A 252 25.358 11.203 10.232 1.00 0.00 O +ATOM 755 H1 TIP3A 252 24.584 10.834 9.809 1.00 0.00 H +ATOM 756 H2 TIP3A 252 25.039 11.534 11.072 1.00 0.00 H +ATOM 757 O1 TIP3A 253 13.967 28.034 19.827 1.00 0.00 O +ATOM 758 H1 TIP3A 253 14.287 27.286 19.324 1.00 0.00 H +ATOM 759 H2 TIP3A 253 13.802 27.682 20.703 1.00 0.00 H +ATOM 760 O1 TIP3A 254 51.534 47.147 57.524 1.00 0.00 O +ATOM 761 H1 TIP3A 254 50.637 47.471 57.446 1.00 0.00 H +ATOM 762 H2 TIP3A 254 51.453 46.334 58.024 1.00 0.00 H +ATOM 763 O1 TIP3A 255 38.482 56.435 29.997 1.00 0.00 O +ATOM 764 H1 TIP3A 255 39.154 57.009 30.364 1.00 0.00 H +ATOM 765 H2 TIP3A 255 37.902 57.023 29.513 1.00 0.00 H +ATOM 766 O1 TIP3A 256 33.583 5.946 55.667 1.00 0.00 O +ATOM 767 H1 TIP3A 256 34.446 5.627 55.405 1.00 0.00 H +ATOM 768 H2 TIP3A 256 33.039 5.833 54.887 1.00 0.00 H +ATOM 769 O1 TIP3A 257 17.577 56.149 17.533 1.00 0.00 O +ATOM 770 H1 TIP3A 257 18.126 56.049 16.757 1.00 0.00 H +ATOM 771 H2 TIP3A 257 17.974 56.875 18.016 1.00 0.00 H +ATOM 772 O1 TIP3A 258 6.989 42.144 13.646 1.00 0.00 O +ATOM 773 H1 TIP3A 258 7.214 41.854 14.529 1.00 0.00 H +ATOM 774 H2 TIP3A 258 6.082 42.444 13.716 1.00 0.00 H +ATOM 775 O1 TIP3A 259 21.029 42.278 46.564 1.00 0.00 O +ATOM 776 H1 TIP3A 259 20.127 42.294 46.883 1.00 0.00 H +ATOM 777 H2 TIP3A 259 21.524 41.854 47.267 1.00 0.00 H +ATOM 778 O1 TIP3A 260 51.639 28.375 45.854 1.00 0.00 O +ATOM 779 H1 TIP3A 260 52.087 27.611 46.215 1.00 0.00 H +ATOM 780 H2 TIP3A 260 51.734 28.284 44.905 1.00 0.00 H +ATOM 781 O1 TIP3A 261 16.518 28.891 46.537 1.00 0.00 O +ATOM 782 H1 TIP3A 261 15.707 28.501 46.212 1.00 0.00 H +ATOM 783 H2 TIP3A 261 17.059 29.007 45.755 1.00 0.00 H +ATOM 784 O1 TIP3A 262 54.706 15.279 24.035 1.00 0.00 O +ATOM 785 H1 TIP3A 262 54.358 14.715 24.725 1.00 0.00 H +ATOM 786 H2 TIP3A 262 54.511 14.812 23.221 1.00 0.00 H +ATOM 787 O1 TIP3A 263 44.911 26.602 19.257 1.00 0.00 O +ATOM 788 H1 TIP3A 263 44.344 26.683 20.024 1.00 0.00 H +ATOM 789 H2 TIP3A 263 44.526 25.889 18.748 1.00 0.00 H +ATOM 790 O1 TIP3A 264 29.021 42.058 9.950 1.00 0.00 O +ATOM 791 H1 TIP3A 264 28.625 41.247 9.635 1.00 0.00 H +ATOM 792 H2 TIP3A 264 29.378 41.833 10.810 1.00 0.00 H +ATOM 793 O1 TIP3A 265 43.479 11.016 39.382 1.00 0.00 O +ATOM 794 H1 TIP3A 265 42.860 11.231 40.079 1.00 0.00 H +ATOM 795 H2 TIP3A 265 43.078 11.372 38.588 1.00 0.00 H +ATOM 796 O1 TIP3A 266 3.860 56.151 31.747 1.00 0.00 O +ATOM 797 H1 TIP3A 266 4.705 55.882 32.105 1.00 0.00 H +ATOM 798 H2 TIP3A 266 3.214 55.757 32.335 1.00 0.00 H +ATOM 799 O1 TIP3A 267 50.561 5.105 50.087 1.00 0.00 O +ATOM 800 H1 TIP3A 267 50.767 5.990 49.788 1.00 0.00 H +ATOM 801 H2 TIP3A 267 51.335 4.588 49.858 1.00 0.00 H +ATOM 802 O1 TIP3A 268 16.061 41.439 49.193 1.00 0.00 O +ATOM 803 H1 TIP3A 268 16.115 41.978 49.981 1.00 0.00 H +ATOM 804 H2 TIP3A 268 16.811 41.711 48.663 1.00 0.00 H +ATOM 805 O1 TIP3A 269 13.941 42.774 44.609 1.00 0.00 O +ATOM 806 H1 TIP3A 269 13.455 43.362 44.032 1.00 0.00 H +ATOM 807 H2 TIP3A 269 14.476 42.244 44.016 1.00 0.00 H +ATOM 808 O1 TIP3A 270 34.968 48.015 24.743 1.00 0.00 O +ATOM 809 H1 TIP3A 270 35.887 47.796 24.595 1.00 0.00 H +ATOM 810 H2 TIP3A 270 34.481 47.366 24.235 1.00 0.00 H +ATOM 811 O1 TIP3A 271 20.320 56.406 46.655 1.00 0.00 O +ATOM 812 H1 TIP3A 271 20.237 56.700 45.749 1.00 0.00 H +ATOM 813 H2 TIP3A 271 21.122 55.883 46.666 1.00 0.00 H +ATOM 814 O1 TIP3A 272 24.487 36.483 18.329 1.00 0.00 O +ATOM 815 H1 TIP3A 272 25.417 36.708 18.342 1.00 0.00 H +ATOM 816 H2 TIP3A 272 24.271 36.302 19.244 1.00 0.00 H +ATOM 817 O1 TIP3A 273 32.304 35.799 45.137 1.00 0.00 O +ATOM 818 H1 TIP3A 273 31.718 36.554 45.088 1.00 0.00 H +ATOM 819 H2 TIP3A 273 33.054 36.042 44.594 1.00 0.00 H +ATOM 820 O1 TIP3A 274 10.708 50.368 3.182 1.00 0.00 O +ATOM 821 H1 TIP3A 274 9.770 50.191 3.119 1.00 0.00 H +ATOM 822 H2 TIP3A 274 11.022 49.758 3.850 1.00 0.00 H +ATOM 823 O1 TIP3A 275 27.337 37.337 26.839 1.00 0.00 O +ATOM 824 H1 TIP3A 275 27.296 38.264 26.604 1.00 0.00 H +ATOM 825 H2 TIP3A 275 26.990 37.300 27.731 1.00 0.00 H +ATOM 826 O1 TIP3A 276 43.073 7.162 20.946 1.00 0.00 O +ATOM 827 H1 TIP3A 276 42.240 7.052 21.402 1.00 0.00 H +ATOM 828 H2 TIP3A 276 43.731 7.158 21.642 1.00 0.00 H +ATOM 829 O1 TIP3A 277 39.679 19.540 8.538 1.00 0.00 O +ATOM 830 H1 TIP3A 277 40.184 20.234 8.115 1.00 0.00 H +ATOM 831 H2 TIP3A 277 39.526 18.898 7.845 1.00 0.00 H +ATOM 832 O1 TIP3A 278 23.266 57.221 39.723 1.00 0.00 O +ATOM 833 H1 TIP3A 278 22.549 57.545 40.267 1.00 0.00 H +ATOM 834 H2 TIP3A 278 23.793 57.998 39.533 1.00 0.00 H +ATOM 835 O1 TIP3A 279 23.823 45.181 23.624 1.00 0.00 O +ATOM 836 H1 TIP3A 279 24.072 45.098 22.704 1.00 0.00 H +ATOM 837 H2 TIP3A 279 22.891 45.399 23.602 1.00 0.00 H +ATOM 838 O1 TIP3A 280 26.732 53.849 46.872 1.00 0.00 O +ATOM 839 H1 TIP3A 280 26.638 53.089 46.298 1.00 0.00 H +ATOM 840 H2 TIP3A 280 27.677 53.991 46.930 1.00 0.00 H +ATOM 841 O1 TIP3A 281 1.781 10.708 52.577 1.00 0.00 O +ATOM 842 H1 TIP3A 281 2.698 10.952 52.461 1.00 0.00 H +ATOM 843 H2 TIP3A 281 1.612 10.071 51.883 1.00 0.00 H +ATOM 844 O1 TIP3A 282 4.534 34.021 57.057 1.00 0.00 O +ATOM 845 H1 TIP3A 282 5.150 33.434 57.493 1.00 0.00 H +ATOM 846 H2 TIP3A 282 3.803 33.456 56.802 1.00 0.00 H +ATOM 847 O1 TIP3A 283 27.070 1.252 40.540 1.00 0.00 O +ATOM 848 H1 TIP3A 283 26.577 2.058 40.388 1.00 0.00 H +ATOM 849 H2 TIP3A 283 27.351 0.974 39.668 1.00 0.00 H +ATOM 850 O1 TIP3A 284 21.184 44.359 40.238 1.00 0.00 O +ATOM 851 H1 TIP3A 284 21.357 44.387 41.178 1.00 0.00 H +ATOM 852 H2 TIP3A 284 21.211 45.275 39.960 1.00 0.00 H +ATOM 853 O1 TIP3A 285 39.159 42.234 57.463 1.00 0.00 O +ATOM 854 H1 TIP3A 285 39.749 42.986 57.499 1.00 0.00 H +ATOM 855 H2 TIP3A 285 38.311 42.580 57.742 1.00 0.00 H +ATOM 856 O1 TIP3A 286 46.954 57.551 28.500 1.00 0.00 O +ATOM 857 H1 TIP3A 286 47.797 58.001 28.475 1.00 0.00 H +ATOM 858 H2 TIP3A 286 47.031 56.858 27.844 1.00 0.00 H +ATOM 859 O1 TIP3A 287 6.673 16.232 44.210 1.00 0.00 O +ATOM 860 H1 TIP3A 287 5.977 16.400 43.575 1.00 0.00 H +ATOM 861 H2 TIP3A 287 7.480 16.466 43.750 1.00 0.00 H +ATOM 862 O1 TIP3A 288 55.749 37.390 12.320 1.00 0.00 O +ATOM 863 H1 TIP3A 288 55.307 38.238 12.337 1.00 0.00 H +ATOM 864 H2 TIP3A 288 55.280 36.861 12.966 1.00 0.00 H +ATOM 865 O1 TIP3A 289 18.279 36.169 29.602 1.00 0.00 O +ATOM 866 H1 TIP3A 289 18.170 35.953 30.528 1.00 0.00 H +ATOM 867 H2 TIP3A 289 18.666 37.045 29.604 1.00 0.00 H +ATOM 868 O1 TIP3A 290 3.427 14.245 24.740 1.00 0.00 O +ATOM 869 H1 TIP3A 290 2.736 13.589 24.824 1.00 0.00 H +ATOM 870 H2 TIP3A 290 3.113 14.838 24.056 1.00 0.00 H +ATOM 871 O1 TIP3A 291 33.102 57.391 3.137 1.00 0.00 O +ATOM 872 H1 TIP3A 291 33.265 56.452 3.219 1.00 0.00 H +ATOM 873 H2 TIP3A 291 32.681 57.636 3.962 1.00 0.00 H +ATOM 874 O1 TIP3A 292 39.697 33.443 5.494 1.00 0.00 O +ATOM 875 H1 TIP3A 292 39.548 34.385 5.423 1.00 0.00 H +ATOM 876 H2 TIP3A 292 39.126 33.162 6.210 1.00 0.00 H +ATOM 877 O1 TIP3A 293 38.521 33.269 53.114 1.00 0.00 O +ATOM 878 H1 TIP3A 293 38.838 34.046 53.573 1.00 0.00 H +ATOM 879 H2 TIP3A 293 37.827 32.924 53.676 1.00 0.00 H +ATOM 880 O1 TIP3A 294 22.886 36.174 52.678 1.00 0.00 O +ATOM 881 H1 TIP3A 294 23.052 37.093 52.470 1.00 0.00 H +ATOM 882 H2 TIP3A 294 23.531 35.960 53.353 1.00 0.00 H +ATOM 883 O1 TIP3A 295 50.526 39.195 8.629 1.00 0.00 O +ATOM 884 H1 TIP3A 295 50.581 39.348 9.572 1.00 0.00 H +ATOM 885 H2 TIP3A 295 49.613 38.948 8.479 1.00 0.00 H +ATOM 886 O1 TIP3A 296 47.156 13.731 6.219 1.00 0.00 O +ATOM 887 H1 TIP3A 296 47.170 12.780 6.115 1.00 0.00 H +ATOM 888 H2 TIP3A 296 46.479 14.029 5.611 1.00 0.00 H +ATOM 889 O1 TIP3A 297 48.502 25.691 52.010 1.00 0.00 O +ATOM 890 H1 TIP3A 297 49.432 25.481 51.931 1.00 0.00 H +ATOM 891 H2 TIP3A 297 48.059 25.014 51.496 1.00 0.00 H +ATOM 892 O1 TIP3A 298 33.323 22.138 40.367 1.00 0.00 O +ATOM 893 H1 TIP3A 298 33.692 22.278 41.239 1.00 0.00 H +ATOM 894 H2 TIP3A 298 33.238 21.187 40.292 1.00 0.00 H +ATOM 895 O1 TIP3A 299 10.815 24.879 23.673 1.00 0.00 O +ATOM 896 H1 TIP3A 299 10.304 24.972 24.476 1.00 0.00 H +ATOM 897 H2 TIP3A 299 11.674 25.242 23.892 1.00 0.00 H +ATOM 898 O1 TIP3A 300 48.765 51.330 15.635 1.00 0.00 O +ATOM 899 H1 TIP3A 300 49.028 50.410 15.647 1.00 0.00 H +ATOM 900 H2 TIP3A 300 49.366 51.760 16.243 1.00 0.00 H +ATOM 901 O1 TIP3A 301 18.070 7.785 35.573 1.00 0.00 O +ATOM 902 H1 TIP3A 301 17.316 7.940 36.141 1.00 0.00 H +ATOM 903 H2 TIP3A 301 17.799 8.121 34.718 1.00 0.00 H +ATOM 904 O1 TIP3A 302 45.699 20.960 42.938 1.00 0.00 O +ATOM 905 H1 TIP3A 302 45.157 21.747 42.887 1.00 0.00 H +ATOM 906 H2 TIP3A 302 45.215 20.373 43.521 1.00 0.00 H +ATOM 907 O1 TIP3A 303 9.749 21.853 39.631 1.00 0.00 O +ATOM 908 H1 TIP3A 303 10.166 21.046 39.332 1.00 0.00 H +ATOM 909 H2 TIP3A 303 8.885 21.845 39.216 1.00 0.00 H +ATOM 910 O1 TIP3A 304 49.081 46.969 37.242 1.00 0.00 O +ATOM 911 H1 TIP3A 304 48.806 47.886 37.258 1.00 0.00 H +ATOM 912 H2 TIP3A 304 49.906 46.974 36.755 1.00 0.00 H +ATOM 913 O1 TIP3A 305 32.741 33.608 33.258 1.00 0.00 O +ATOM 914 H1 TIP3A 305 32.442 33.898 32.397 1.00 0.00 H +ATOM 915 H2 TIP3A 305 32.836 34.415 33.764 1.00 0.00 H +ATOM 916 O1 TIP3A 306 21.096 16.171 17.775 1.00 0.00 O +ATOM 917 H1 TIP3A 306 21.725 15.877 17.117 1.00 0.00 H +ATOM 918 H2 TIP3A 306 21.591 16.176 18.595 1.00 0.00 H +ATOM 919 O1 TIP3A 307 5.817 6.962 23.417 1.00 0.00 O +ATOM 920 H1 TIP3A 307 6.462 6.256 23.397 1.00 0.00 H +ATOM 921 H2 TIP3A 307 5.154 6.699 22.778 1.00 0.00 H +ATOM 922 O1 TIP3A 308 11.757 3.193 25.767 1.00 0.00 O +ATOM 923 H1 TIP3A 308 12.057 3.948 26.271 1.00 0.00 H +ATOM 924 H2 TIP3A 308 11.206 3.567 25.078 1.00 0.00 H +ATOM 925 O1 TIP3A 309 47.827 25.200 18.815 1.00 0.00 O +ATOM 926 H1 TIP3A 309 48.110 24.291 18.724 1.00 0.00 H +ATOM 927 H2 TIP3A 309 48.086 25.444 19.703 1.00 0.00 H +ATOM 928 O1 TIP3A 310 5.200 33.469 21.579 1.00 0.00 O +ATOM 929 H1 TIP3A 310 6.066 33.774 21.848 1.00 0.00 H +ATOM 930 H2 TIP3A 310 4.763 34.253 21.243 1.00 0.00 H +ATOM 931 O1 TIP3A 311 55.899 30.762 19.289 1.00 0.00 O +ATOM 932 H1 TIP3A 311 55.469 30.367 20.047 1.00 0.00 H +ATOM 933 H2 TIP3A 311 56.806 30.459 19.343 1.00 0.00 H +ATOM 934 O1 TIP3A 312 26.033 47.798 33.304 1.00 0.00 O +ATOM 935 H1 TIP3A 312 25.477 47.026 33.405 1.00 0.00 H +ATOM 936 H2 TIP3A 312 25.499 48.523 33.630 1.00 0.00 H +ATOM 937 O1 TIP3A 313 41.351 37.134 11.061 1.00 0.00 O +ATOM 938 H1 TIP3A 313 42.138 36.635 10.844 1.00 0.00 H +ATOM 939 H2 TIP3A 313 41.621 38.050 10.994 1.00 0.00 H +ATOM 940 O1 TIP3A 314 5.815 20.138 0.436 1.00 0.00 O +ATOM 941 H1 TIP3A 314 6.140 19.238 0.450 1.00 0.00 H +ATOM 942 H2 TIP3A 314 6.347 20.596 1.088 1.00 0.00 H +ATOM 943 O1 TIP3A 315 28.420 48.329 31.502 1.00 0.00 O +ATOM 944 H1 TIP3A 315 29.250 47.948 31.788 1.00 0.00 H +ATOM 945 H2 TIP3A 315 27.787 47.615 31.580 1.00 0.00 H +ATOM 946 O1 TIP3A 316 41.563 41.837 53.141 1.00 0.00 O +ATOM 947 H1 TIP3A 316 41.795 41.044 52.659 1.00 0.00 H +ATOM 948 H2 TIP3A 316 41.066 42.363 52.513 1.00 0.00 H +ATOM 949 O1 TIP3A 317 26.022 39.190 31.959 1.00 0.00 O +ATOM 950 H1 TIP3A 317 25.812 40.047 32.327 1.00 0.00 H +ATOM 951 H2 TIP3A 317 25.549 38.568 32.513 1.00 0.00 H +ATOM 952 O1 TIP3A 318 0.939 39.273 22.703 1.00 0.00 O +ATOM 953 H1 TIP3A 318 1.276 40.159 22.581 1.00 0.00 H +ATOM 954 H2 TIP3A 318 -0.000 39.347 22.529 1.00 0.00 H +ATOM 955 O1 TIP3A 319 39.033 12.280 36.207 1.00 0.00 O +ATOM 956 H1 TIP3A 319 39.089 13.023 36.808 1.00 0.00 H +ATOM 957 H2 TIP3A 319 38.964 11.515 36.779 1.00 0.00 H +ATOM 958 O1 TIP3A 320 4.078 42.225 14.606 1.00 0.00 O +ATOM 959 H1 TIP3A 320 3.423 41.791 15.152 1.00 0.00 H +ATOM 960 H2 TIP3A 320 3.647 43.027 14.307 1.00 0.00 H +ATOM 961 O1 TIP3A 321 3.873 15.873 13.006 1.00 0.00 O +ATOM 962 H1 TIP3A 321 4.323 15.034 13.096 1.00 0.00 H +ATOM 963 H2 TIP3A 321 4.332 16.458 13.610 1.00 0.00 H +ATOM 964 O1 TIP3A 322 16.309 23.040 22.712 1.00 0.00 O +ATOM 965 H1 TIP3A 322 16.268 22.342 23.366 1.00 0.00 H +ATOM 966 H2 TIP3A 322 15.395 23.280 22.560 1.00 0.00 H +ATOM 967 O1 TIP3A 323 55.978 22.577 26.443 1.00 0.00 O +ATOM 968 H1 TIP3A 323 55.195 22.059 26.629 1.00 0.00 H +ATOM 969 H2 TIP3A 323 56.708 21.987 26.635 1.00 0.00 H +ATOM 970 O1 TIP3A 324 17.938 34.726 11.301 1.00 0.00 O +ATOM 971 H1 TIP3A 324 17.440 34.782 12.116 1.00 0.00 H +ATOM 972 H2 TIP3A 324 17.571 33.966 10.847 1.00 0.00 H +ATOM 973 O1 TIP3A 325 34.844 26.109 51.317 1.00 0.00 O +ATOM 974 H1 TIP3A 325 34.170 26.439 50.724 1.00 0.00 H +ATOM 975 H2 TIP3A 325 34.400 25.436 51.834 1.00 0.00 H +ATOM 976 O1 TIP3A 326 54.434 46.191 18.398 1.00 0.00 O +ATOM 977 H1 TIP3A 326 55.380 46.050 18.396 1.00 0.00 H +ATOM 978 H2 TIP3A 326 54.095 45.558 17.764 1.00 0.00 H +ATOM 979 O1 TIP3A 327 49.715 8.330 48.724 1.00 0.00 O +ATOM 980 H1 TIP3A 327 48.792 8.529 48.570 1.00 0.00 H +ATOM 981 H2 TIP3A 327 49.837 7.454 48.358 1.00 0.00 H +ATOM 982 O1 TIP3A 328 14.071 1.959 2.531 1.00 0.00 O +ATOM 983 H1 TIP3A 328 15.001 1.966 2.306 1.00 0.00 H +ATOM 984 H2 TIP3A 328 13.620 1.966 1.687 1.00 0.00 H +ATOM 985 O1 TIP3A 329 4.931 53.009 25.506 1.00 0.00 O +ATOM 986 H1 TIP3A 329 4.354 52.567 24.884 1.00 0.00 H +ATOM 987 H2 TIP3A 329 4.619 53.915 25.520 1.00 0.00 H +ATOM 988 O1 TIP3A 330 13.193 35.126 38.929 1.00 0.00 O +ATOM 989 H1 TIP3A 330 12.387 35.629 38.818 1.00 0.00 H +ATOM 990 H2 TIP3A 330 12.920 34.334 39.395 1.00 0.00 H +ATOM 991 O1 TIP3A 331 40.658 39.143 32.152 1.00 0.00 O +ATOM 992 H1 TIP3A 331 39.962 39.792 32.061 1.00 0.00 H +ATOM 993 H2 TIP3A 331 40.666 38.929 33.086 1.00 0.00 H +ATOM 994 O1 TIP3A 332 29.315 50.532 16.899 1.00 0.00 O +ATOM 995 H1 TIP3A 332 28.782 51.091 17.464 1.00 0.00 H +ATOM 996 H2 TIP3A 332 28.938 49.658 17.001 1.00 0.00 H +ATOM 997 O1 TIP3A 333 32.498 57.534 35.809 1.00 0.00 O +ATOM 998 H1 TIP3A 333 31.683 58.034 35.821 1.00 0.00 H +ATOM 999 H2 TIP3A 333 32.287 56.718 36.263 1.00 0.00 H +ATOM 1000 O1 TIP3A 334 53.938 32.921 51.172 1.00 0.00 O +ATOM 1001 H1 TIP3A 334 54.520 33.208 50.470 1.00 0.00 H +ATOM 1002 H2 TIP3A 334 54.519 32.762 51.916 1.00 0.00 H +ATOM 1003 O1 TIP3A 335 44.102 55.674 42.537 1.00 0.00 O +ATOM 1004 H1 TIP3A 335 44.092 54.793 42.909 1.00 0.00 H +ATOM 1005 H2 TIP3A 335 45.013 55.816 42.278 1.00 0.00 H +ATOM 1006 O1 TIP3A 336 24.093 52.473 49.094 1.00 0.00 O +ATOM 1007 H1 TIP3A 336 23.539 52.555 48.319 1.00 0.00 H +ATOM 1008 H2 TIP3A 336 23.771 53.148 49.692 1.00 0.00 H +ATOM 1009 O1 TIP3A 337 14.776 1.798 41.436 1.00 0.00 O +ATOM 1010 H1 TIP3A 337 14.670 2.651 41.016 1.00 0.00 H +ATOM 1011 H2 TIP3A 337 14.093 1.772 42.106 1.00 0.00 H +ATOM 1012 O1 TIP3A 338 54.085 1.813 44.787 1.00 0.00 O +ATOM 1013 H1 TIP3A 338 53.250 1.518 45.149 1.00 0.00 H +ATOM 1014 H2 TIP3A 338 53.912 2.703 44.480 1.00 0.00 H +ATOM 1015 O1 TIP3A 339 28.660 38.067 46.026 1.00 0.00 O +ATOM 1016 H1 TIP3A 339 29.065 37.884 45.179 1.00 0.00 H +ATOM 1017 H2 TIP3A 339 29.062 37.436 46.625 1.00 0.00 H +ATOM 1018 O1 TIP3A 340 14.981 44.143 11.813 1.00 0.00 O +ATOM 1019 H1 TIP3A 340 14.238 44.482 11.314 1.00 0.00 H +ATOM 1020 H2 TIP3A 340 14.680 43.297 12.146 1.00 0.00 H +ATOM 1021 O1 TIP3A 341 47.045 18.117 15.360 1.00 0.00 O +ATOM 1022 H1 TIP3A 341 46.635 17.533 14.723 1.00 0.00 H +ATOM 1023 H2 TIP3A 341 46.386 18.227 16.045 1.00 0.00 H +ATOM 1024 O1 TIP3A 342 25.742 2.546 44.307 1.00 0.00 O +ATOM 1025 H1 TIP3A 342 26.350 1.808 44.347 1.00 0.00 H +ATOM 1026 H2 TIP3A 342 25.412 2.536 43.408 1.00 0.00 H +ATOM 1027 O1 TIP3A 343 31.765 26.058 47.484 1.00 0.00 O +ATOM 1028 H1 TIP3A 343 31.535 26.950 47.745 1.00 0.00 H +ATOM 1029 H2 TIP3A 343 32.108 26.149 46.595 1.00 0.00 H +ATOM 1030 O1 TIP3A 344 3.961 54.133 50.574 1.00 0.00 O +ATOM 1031 H1 TIP3A 344 3.681 55.047 50.609 1.00 0.00 H +ATOM 1032 H2 TIP3A 344 3.373 53.678 51.177 1.00 0.00 H +ATOM 1033 O1 TIP3A 345 45.986 12.218 19.268 1.00 0.00 O +ATOM 1034 H1 TIP3A 345 45.171 12.720 19.252 1.00 0.00 H +ATOM 1035 H2 TIP3A 345 46.548 12.653 18.625 1.00 0.00 H +ATOM 1036 O1 TIP3A 346 2.466 38.983 20.243 1.00 0.00 O +ATOM 1037 H1 TIP3A 346 3.409 38.828 20.188 1.00 0.00 H +ATOM 1038 H2 TIP3A 346 2.116 38.624 19.427 1.00 0.00 H +ATOM 1039 O1 TIP3A 347 27.585 44.273 11.574 1.00 0.00 O +ATOM 1040 H1 TIP3A 347 26.946 44.985 11.553 1.00 0.00 H +ATOM 1041 H2 TIP3A 347 27.794 44.165 12.503 1.00 0.00 H +ATOM 1042 O1 TIP3A 348 22.285 29.667 57.514 1.00 0.00 O +ATOM 1043 H1 TIP3A 348 22.145 30.604 57.651 1.00 0.00 H +ATOM 1044 H2 TIP3A 348 23.102 29.616 57.017 1.00 0.00 H +ATOM 1045 O1 TIP3A 349 7.230 30.976 55.318 1.00 0.00 O +ATOM 1046 H1 TIP3A 349 6.519 31.595 55.479 1.00 0.00 H +ATOM 1047 H2 TIP3A 349 7.833 31.448 54.742 1.00 0.00 H +ATOM 1048 O1 TIP3A 350 36.733 57.853 39.113 1.00 0.00 O +ATOM 1049 H1 TIP3A 350 37.265 57.999 39.894 1.00 0.00 H +ATOM 1050 H2 TIP3A 350 35.832 58.000 39.404 1.00 0.00 H +ATOM 1051 O1 TIP3A 351 50.005 26.207 20.485 1.00 0.00 O +ATOM 1052 H1 TIP3A 351 50.442 26.974 20.118 1.00 0.00 H +ATOM 1053 H2 TIP3A 351 50.045 26.338 21.433 1.00 0.00 H +ATOM 1054 O1 TIP3A 352 14.328 33.401 8.411 1.00 0.00 O +ATOM 1055 H1 TIP3A 352 14.452 34.019 9.130 1.00 0.00 H +ATOM 1056 H2 TIP3A 352 13.382 33.384 8.269 1.00 0.00 H +ATOM 1057 O1 TIP3A 353 8.539 53.586 36.758 1.00 0.00 O +ATOM 1058 H1 TIP3A 353 9.249 54.202 36.583 1.00 0.00 H +ATOM 1059 H2 TIP3A 353 8.188 53.859 37.607 1.00 0.00 H +ATOM 1060 O1 TIP3A 354 24.553 30.624 22.457 1.00 0.00 O +ATOM 1061 H1 TIP3A 354 23.684 30.669 22.854 1.00 0.00 H +ATOM 1062 H2 TIP3A 354 24.962 29.858 22.862 1.00 0.00 H +ATOM 1063 O1 TIP3A 355 21.818 44.064 43.617 1.00 0.00 O +ATOM 1064 H1 TIP3A 355 22.533 44.614 43.300 1.00 0.00 H +ATOM 1065 H2 TIP3A 355 22.253 43.331 44.053 1.00 0.00 H +ATOM 1066 O1 TIP3A 356 46.158 33.755 37.189 1.00 0.00 O +ATOM 1067 H1 TIP3A 356 46.704 33.919 36.421 1.00 0.00 H +ATOM 1068 H2 TIP3A 356 46.739 33.912 37.934 1.00 0.00 H +ATOM 1069 O1 TIP3A 357 29.214 8.176 32.789 1.00 0.00 O +ATOM 1070 H1 TIP3A 357 29.406 7.635 32.023 1.00 0.00 H +ATOM 1071 H2 TIP3A 357 29.971 8.055 33.364 1.00 0.00 H +ATOM 1072 O1 TIP3A 358 41.122 42.463 12.863 1.00 0.00 O +ATOM 1073 H1 TIP3A 358 40.924 41.733 13.449 1.00 0.00 H +ATOM 1074 H2 TIP3A 358 40.412 42.453 12.219 1.00 0.00 H +ATOM 1075 O1 TIP3A 359 -0.003 46.434 32.851 1.00 0.00 O +ATOM 1076 H1 TIP3A 359 0.561 47.171 32.618 1.00 0.00 H +ATOM 1077 H2 TIP3A 359 0.559 45.664 32.764 1.00 0.00 H +ATOM 1078 O1 TIP3A 360 1.616 52.631 3.912 1.00 0.00 O +ATOM 1079 H1 TIP3A 360 1.579 53.269 4.624 1.00 0.00 H +ATOM 1080 H2 TIP3A 360 1.122 51.878 4.238 1.00 0.00 H +ATOM 1081 O1 TIP3A 361 7.026 36.732 40.716 1.00 0.00 O +ATOM 1082 H1 TIP3A 361 6.629 37.563 40.974 1.00 0.00 H +ATOM 1083 H2 TIP3A 361 6.375 36.071 40.953 1.00 0.00 H +ATOM 1084 O1 TIP3A 362 48.311 19.533 2.601 1.00 0.00 O +ATOM 1085 H1 TIP3A 362 48.384 18.580 2.570 1.00 0.00 H +ATOM 1086 H2 TIP3A 362 47.625 19.742 1.965 1.00 0.00 H +ATOM 1087 O1 TIP3A 363 57.116 26.104 2.549 1.00 0.00 O +ATOM 1088 H1 TIP3A 363 56.703 25.704 1.785 1.00 0.00 H +ATOM 1089 H2 TIP3A 363 58.001 25.736 2.563 1.00 0.00 H +ATOM 1090 O1 TIP3A 364 33.122 33.145 11.533 1.00 0.00 O +ATOM 1091 H1 TIP3A 364 32.614 33.821 11.085 1.00 0.00 H +ATOM 1092 H2 TIP3A 364 33.012 33.340 12.464 1.00 0.00 H +ATOM 1093 O1 TIP3A 365 20.616 3.152 23.181 1.00 0.00 O +ATOM 1094 H1 TIP3A 365 20.344 4.068 23.208 1.00 0.00 H +ATOM 1095 H2 TIP3A 365 20.915 2.963 24.071 1.00 0.00 H +ATOM 1096 O1 TIP3A 366 46.504 39.305 41.733 1.00 0.00 O +ATOM 1097 H1 TIP3A 366 45.890 38.637 41.430 1.00 0.00 H +ATOM 1098 H2 TIP3A 366 46.324 40.066 41.180 1.00 0.00 H +ATOM 1099 O1 TIP3A 367 48.385 27.545 10.466 1.00 0.00 O +ATOM 1100 H1 TIP3A 367 48.088 26.683 10.757 1.00 0.00 H +ATOM 1101 H2 TIP3A 367 48.663 27.409 9.560 1.00 0.00 H +ATOM 1102 O1 TIP3A 368 22.780 1.454 45.216 1.00 0.00 O +ATOM 1103 H1 TIP3A 368 23.000 0.532 45.346 1.00 0.00 H +ATOM 1104 H2 TIP3A 368 22.326 1.475 44.372 1.00 0.00 H +ATOM 1105 O1 TIP3A 369 18.484 15.768 37.469 1.00 0.00 O +ATOM 1106 H1 TIP3A 369 19.355 15.373 37.466 1.00 0.00 H +ATOM 1107 H2 TIP3A 369 17.928 15.126 37.025 1.00 0.00 H +ATOM 1108 O1 TIP3A 370 14.299 39.450 50.240 1.00 0.00 O +ATOM 1109 H1 TIP3A 370 15.067 39.348 50.801 1.00 0.00 H +ATOM 1110 H2 TIP3A 370 13.578 39.081 50.751 1.00 0.00 H +ATOM 1111 O1 TIP3A 371 22.380 29.239 0.725 1.00 0.00 O +ATOM 1112 H1 TIP3A 371 22.519 30.185 0.718 1.00 0.00 H +ATOM 1113 H2 TIP3A 371 21.734 29.086 0.035 1.00 0.00 H +ATOM 1114 O1 TIP3A 372 53.431 2.895 21.254 1.00 0.00 O +ATOM 1115 H1 TIP3A 372 52.610 3.372 21.372 1.00 0.00 H +ATOM 1116 H2 TIP3A 372 53.729 3.143 20.378 1.00 0.00 H +ATOM 1117 O1 TIP3A 373 5.241 37.115 3.001 1.00 0.00 O +ATOM 1118 H1 TIP3A 373 5.132 36.528 2.253 1.00 0.00 H +ATOM 1119 H2 TIP3A 373 5.816 37.810 2.679 1.00 0.00 H +ATOM 1120 O1 TIP3A 374 31.140 32.193 40.415 1.00 0.00 O +ATOM 1121 H1 TIP3A 374 30.222 31.949 40.529 1.00 0.00 H +ATOM 1122 H2 TIP3A 374 31.618 31.604 40.999 1.00 0.00 H +ATOM 1123 O1 TIP3A 375 31.513 48.766 3.083 1.00 0.00 O +ATOM 1124 H1 TIP3A 375 31.813 48.052 2.520 1.00 0.00 H +ATOM 1125 H2 TIP3A 375 30.980 48.336 3.752 1.00 0.00 H +ATOM 1126 O1 TIP3A 376 14.905 29.066 42.267 1.00 0.00 O +ATOM 1127 H1 TIP3A 376 15.326 28.748 43.065 1.00 0.00 H +ATOM 1128 H2 TIP3A 376 15.252 29.951 42.149 1.00 0.00 H +ATOM 1129 O1 TIP3A 377 46.348 8.678 7.668 1.00 0.00 O +ATOM 1130 H1 TIP3A 377 45.791 8.212 7.045 1.00 0.00 H +ATOM 1131 H2 TIP3A 377 47.046 8.057 7.878 1.00 0.00 H +ATOM 1132 O1 TIP3A 378 21.970 4.286 44.152 1.00 0.00 O +ATOM 1133 H1 TIP3A 378 21.256 3.731 43.839 1.00 0.00 H +ATOM 1134 H2 TIP3A 378 22.263 3.868 44.962 1.00 0.00 H +ATOM 1135 O1 TIP3A 379 48.212 32.145 35.535 1.00 0.00 O +ATOM 1136 H1 TIP3A 379 48.599 32.677 34.841 1.00 0.00 H +ATOM 1137 H2 TIP3A 379 48.639 32.448 36.337 1.00 0.00 H +ATOM 1138 O1 TIP3A 380 43.097 34.797 9.613 1.00 0.00 O +ATOM 1139 H1 TIP3A 380 42.243 35.079 9.287 1.00 0.00 H +ATOM 1140 H2 TIP3A 380 43.652 35.573 9.534 1.00 0.00 H +ATOM 1141 O1 TIP3A 381 4.028 37.033 34.985 1.00 0.00 O +ATOM 1142 H1 TIP3A 381 3.165 37.424 35.115 1.00 0.00 H +ATOM 1143 H2 TIP3A 381 4.555 37.735 34.602 1.00 0.00 H +ATOM 1144 O1 TIP3A 382 23.166 43.208 22.030 1.00 0.00 O +ATOM 1145 H1 TIP3A 382 22.321 42.882 21.723 1.00 0.00 H +ATOM 1146 H2 TIP3A 382 23.708 43.251 21.242 1.00 0.00 H +ATOM 1147 O1 TIP3A 383 35.813 28.245 50.608 1.00 0.00 O +ATOM 1148 H1 TIP3A 383 36.738 28.084 50.425 1.00 0.00 H +ATOM 1149 H2 TIP3A 383 35.809 29.044 51.137 1.00 0.00 H +ATOM 1150 O1 TIP3A 384 49.335 28.827 47.313 1.00 0.00 O +ATOM 1151 H1 TIP3A 384 49.288 29.703 46.932 1.00 0.00 H +ATOM 1152 H2 TIP3A 384 49.515 28.251 46.570 1.00 0.00 H +ATOM 1153 O1 TIP3A 385 28.836 10.845 16.115 1.00 0.00 O +ATOM 1154 H1 TIP3A 385 28.863 11.361 16.919 1.00 0.00 H +ATOM 1155 H2 TIP3A 385 28.470 10.001 16.382 1.00 0.00 H +ATOM 1156 O1 TIP3A 386 21.775 4.191 30.151 1.00 0.00 O +ATOM 1157 H1 TIP3A 386 22.730 4.131 30.148 1.00 0.00 H +ATOM 1158 H2 TIP3A 386 21.575 4.783 30.878 1.00 0.00 H +ATOM 1159 O1 TIP3A 387 38.561 17.864 55.170 1.00 0.00 O +ATOM 1160 H1 TIP3A 387 37.667 18.154 54.992 1.00 0.00 H +ATOM 1161 H2 TIP3A 387 39.115 18.518 54.743 1.00 0.00 H +ATOM 1162 O1 TIP3A 388 24.942 11.109 33.386 1.00 0.00 O +ATOM 1163 H1 TIP3A 388 24.141 11.265 33.884 1.00 0.00 H +ATOM 1164 H2 TIP3A 388 25.430 10.471 33.909 1.00 0.00 H +ATOM 1165 O1 TIP3A 389 24.688 53.776 1.599 1.00 0.00 O +ATOM 1166 H1 TIP3A 389 25.109 54.554 1.965 1.00 0.00 H +ATOM 1167 H2 TIP3A 389 24.105 54.116 0.920 1.00 0.00 H +ATOM 1168 O1 TIP3A 390 5.973 39.235 27.035 1.00 0.00 O +ATOM 1169 H1 TIP3A 390 5.485 38.589 26.525 1.00 0.00 H +ATOM 1170 H2 TIP3A 390 6.137 39.952 26.421 1.00 0.00 H +ATOM 1171 O1 TIP3A 391 14.079 48.647 34.829 1.00 0.00 O +ATOM 1172 H1 TIP3A 391 14.065 49.579 35.044 1.00 0.00 H +ATOM 1173 H2 TIP3A 391 15.002 48.451 34.664 1.00 0.00 H +ATOM 1174 O1 TIP3A 392 14.341 35.480 2.687 1.00 0.00 O +ATOM 1175 H1 TIP3A 392 14.544 35.253 1.780 1.00 0.00 H +ATOM 1176 H2 TIP3A 392 15.154 35.855 3.028 1.00 0.00 H +ATOM 1177 O1 TIP3A 393 55.894 34.492 27.851 1.00 0.00 O +ATOM 1178 H1 TIP3A 393 56.098 34.242 26.950 1.00 0.00 H +ATOM 1179 H2 TIP3A 393 55.179 33.909 28.106 1.00 0.00 H +ATOM 1180 O1 TIP3A 394 41.471 14.497 32.301 1.00 0.00 O +ATOM 1181 H1 TIP3A 394 41.934 15.323 32.432 1.00 0.00 H +ATOM 1182 H2 TIP3A 394 40.656 14.596 32.795 1.00 0.00 H +ATOM 1183 O1 TIP3A 395 4.847 35.270 12.159 1.00 0.00 O +ATOM 1184 H1 TIP3A 395 4.214 34.774 12.677 1.00 0.00 H +ATOM 1185 H2 TIP3A 395 4.834 36.149 12.539 1.00 0.00 H +ATOM 1186 O1 TIP3A 396 48.451 31.562 18.096 1.00 0.00 O +ATOM 1187 H1 TIP3A 396 47.731 32.064 17.716 1.00 0.00 H +ATOM 1188 H2 TIP3A 396 48.951 31.251 17.341 1.00 0.00 H +ATOM 1189 O1 TIP3A 397 40.294 23.973 35.107 1.00 0.00 O +ATOM 1190 H1 TIP3A 397 41.067 24.449 34.807 1.00 0.00 H +ATOM 1191 H2 TIP3A 397 39.626 24.159 34.446 1.00 0.00 H +ATOM 1192 O1 TIP3A 398 18.302 31.899 34.262 1.00 0.00 O +ATOM 1193 H1 TIP3A 398 17.573 32.460 34.527 1.00 0.00 H +ATOM 1194 H2 TIP3A 398 19.044 32.208 34.782 1.00 0.00 H +ATOM 1195 O1 TIP3A 399 41.359 18.354 24.169 1.00 0.00 O +ATOM 1196 H1 TIP3A 399 41.947 18.973 23.738 1.00 0.00 H +ATOM 1197 H2 TIP3A 399 41.332 18.643 25.082 1.00 0.00 H +ATOM 1198 O1 TIP3A 400 5.745 52.505 21.313 1.00 0.00 O +ATOM 1199 H1 TIP3A 400 6.164 51.757 20.889 1.00 0.00 H +ATOM 1200 H2 TIP3A 400 6.205 52.597 22.148 1.00 0.00 H +ATOM 1201 O1 TIP3A 401 17.950 5.747 54.343 1.00 0.00 O +ATOM 1202 H1 TIP3A 401 18.060 5.539 53.416 1.00 0.00 H +ATOM 1203 H2 TIP3A 401 17.683 4.920 54.745 1.00 0.00 H +ATOM 1204 O1 TIP3A 402 45.992 46.047 55.760 1.00 0.00 O +ATOM 1205 H1 TIP3A 402 45.874 45.111 55.919 1.00 0.00 H +ATOM 1206 H2 TIP3A 402 46.941 46.173 55.764 1.00 0.00 H +ATOM 1207 O1 TIP3A 403 30.242 8.044 20.444 1.00 0.00 O +ATOM 1208 H1 TIP3A 403 30.567 8.380 21.278 1.00 0.00 H +ATOM 1209 H2 TIP3A 403 30.605 8.640 19.788 1.00 0.00 H +ATOM 1210 O1 TIP3A 404 57.089 14.756 0.091 1.00 0.00 O +ATOM 1211 H1 TIP3A 404 58.029 14.901 -0.010 1.00 0.00 H +ATOM 1212 H2 TIP3A 404 56.982 13.807 0.008 1.00 0.00 H +ATOM 1213 O1 TIP3A 405 31.651 17.399 4.374 1.00 0.00 O +ATOM 1214 H1 TIP3A 405 31.436 18.192 3.883 1.00 0.00 H +ATOM 1215 H2 TIP3A 405 31.170 17.489 5.198 1.00 0.00 H +ATOM 1216 O1 TIP3A 406 3.895 57.310 48.817 1.00 0.00 O +ATOM 1217 H1 TIP3A 406 3.321 58.002 48.492 1.00 0.00 H +ATOM 1218 H2 TIP3A 406 4.063 56.758 48.053 1.00 0.00 H +ATOM 1219 O1 TIP3A 407 3.567 24.256 2.691 1.00 0.00 O +ATOM 1220 H1 TIP3A 407 3.429 24.293 3.637 1.00 0.00 H +ATOM 1221 H2 TIP3A 407 4.502 24.425 2.578 1.00 0.00 H +ATOM 1222 O1 TIP3A 408 44.313 5.890 46.117 1.00 0.00 O +ATOM 1223 H1 TIP3A 408 43.541 5.777 46.670 1.00 0.00 H +ATOM 1224 H2 TIP3A 408 44.000 6.400 45.369 1.00 0.00 H +ATOM 1225 O1 TIP3A 409 2.690 34.185 37.704 1.00 0.00 O +ATOM 1226 H1 TIP3A 409 2.881 33.897 36.812 1.00 0.00 H +ATOM 1227 H2 TIP3A 409 2.171 33.474 38.081 1.00 0.00 H +ATOM 1228 O1 TIP3A 410 39.322 16.539 27.490 1.00 0.00 O +ATOM 1229 H1 TIP3A 410 39.802 17.364 27.417 1.00 0.00 H +ATOM 1230 H2 TIP3A 410 39.736 15.963 26.847 1.00 0.00 H +ATOM 1231 O1 TIP3A 411 8.736 19.278 41.632 1.00 0.00 O +ATOM 1232 H1 TIP3A 411 8.100 19.893 41.996 1.00 0.00 H +ATOM 1233 H2 TIP3A 411 9.194 19.778 40.956 1.00 0.00 H +ATOM 1234 O1 TIP3A 412 45.212 26.357 52.800 1.00 0.00 O +ATOM 1235 H1 TIP3A 412 45.917 25.999 53.338 1.00 0.00 H +ATOM 1236 H2 TIP3A 412 45.641 27.012 52.248 1.00 0.00 H +ATOM 1237 O1 TIP3A 413 29.337 21.794 23.244 1.00 0.00 O +ATOM 1238 H1 TIP3A 413 28.689 21.264 22.780 1.00 0.00 H +ATOM 1239 H2 TIP3A 413 28.927 22.655 23.328 1.00 0.00 H +ATOM 1240 O1 TIP3A 414 25.866 36.614 30.485 1.00 0.00 O +ATOM 1241 H1 TIP3A 414 24.933 36.680 30.686 1.00 0.00 H +ATOM 1242 H2 TIP3A 414 25.993 37.202 29.739 1.00 0.00 H +ATOM 1243 O1 TIP3A 415 34.759 10.564 12.447 1.00 0.00 O +ATOM 1244 H1 TIP3A 415 34.219 9.779 12.367 1.00 0.00 H +ATOM 1245 H2 TIP3A 415 34.432 11.152 11.765 1.00 0.00 H +ATOM 1246 O1 TIP3A 416 7.164 21.121 35.451 1.00 0.00 O +ATOM 1247 H1 TIP3A 416 7.931 21.686 35.365 1.00 0.00 H +ATOM 1248 H2 TIP3A 416 6.620 21.553 36.111 1.00 0.00 H +ATOM 1249 O1 TIP3A 417 43.482 2.714 41.343 1.00 0.00 O +ATOM 1250 H1 TIP3A 417 44.371 2.362 41.317 1.00 0.00 H +ATOM 1251 H2 TIP3A 417 43.568 3.546 41.810 1.00 0.00 H +ATOM 1252 O1 TIP3A 418 4.928 12.206 16.594 1.00 0.00 O +ATOM 1253 H1 TIP3A 418 5.778 11.823 16.382 1.00 0.00 H +ATOM 1254 H2 TIP3A 418 4.310 11.753 16.018 1.00 0.00 H +ATOM 1255 O1 TIP3A 419 14.427 42.745 6.269 1.00 0.00 O +ATOM 1256 H1 TIP3A 419 14.991 42.079 5.878 1.00 0.00 H +ATOM 1257 H2 TIP3A 419 13.633 42.733 5.733 1.00 0.00 H +ATOM 1258 O1 TIP3A 420 2.329 28.481 14.944 1.00 0.00 O +ATOM 1259 H1 TIP3A 420 2.106 27.554 14.873 1.00 0.00 H +ATOM 1260 H2 TIP3A 420 1.656 28.847 15.519 1.00 0.00 H +ATOM 1261 O1 TIP3A 421 38.698 6.437 12.908 1.00 0.00 O +ATOM 1262 H1 TIP3A 421 38.187 6.124 13.653 1.00 0.00 H +ATOM 1263 H2 TIP3A 421 39.557 6.028 13.017 1.00 0.00 H +ATOM 1264 O1 TIP3A 422 45.325 35.382 42.594 1.00 0.00 O +ATOM 1265 H1 TIP3A 422 45.523 34.512 42.248 1.00 0.00 H +ATOM 1266 H2 TIP3A 422 46.156 35.693 42.953 1.00 0.00 H +ATOM 1267 O1 TIP3A 423 29.123 5.294 22.788 1.00 0.00 O +ATOM 1268 H1 TIP3A 423 29.070 4.376 23.053 1.00 0.00 H +ATOM 1269 H2 TIP3A 423 28.695 5.323 21.932 1.00 0.00 H +ATOM 1270 O1 TIP3A 424 10.524 22.517 46.660 1.00 0.00 O +ATOM 1271 H1 TIP3A 424 9.576 22.395 46.644 1.00 0.00 H +ATOM 1272 H2 TIP3A 424 10.875 21.728 46.247 1.00 0.00 H +ATOM 1273 O1 TIP3A 425 9.226 17.734 25.108 1.00 0.00 O +ATOM 1274 H1 TIP3A 425 9.507 18.507 25.597 1.00 0.00 H +ATOM 1275 H2 TIP3A 425 9.539 17.887 24.216 1.00 0.00 H +ATOM 1276 O1 TIP3A 426 15.032 51.978 30.858 1.00 0.00 O +ATOM 1277 H1 TIP3A 426 14.465 51.238 31.072 1.00 0.00 H +ATOM 1278 H2 TIP3A 426 15.636 52.040 31.598 1.00 0.00 H +ATOM 1279 O1 TIP3A 427 3.000 14.271 36.331 1.00 0.00 O +ATOM 1280 H1 TIP3A 427 2.227 14.733 36.653 1.00 0.00 H +ATOM 1281 H2 TIP3A 427 2.736 13.352 36.299 1.00 0.00 H +ATOM 1282 O1 TIP3A 428 19.507 3.874 53.798 1.00 0.00 O +ATOM 1283 H1 TIP3A 428 20.442 3.689 53.882 1.00 0.00 H +ATOM 1284 H2 TIP3A 428 19.134 3.069 53.437 1.00 0.00 H +ATOM 1285 O1 TIP3A 429 41.863 16.909 53.238 1.00 0.00 O +ATOM 1286 H1 TIP3A 429 41.981 17.229 52.345 1.00 0.00 H +ATOM 1287 H2 TIP3A 429 40.914 16.829 53.340 1.00 0.00 H +ATOM 1288 O1 TIP3A 430 33.690 54.839 45.349 1.00 0.00 O +ATOM 1289 H1 TIP3A 430 32.757 54.675 45.484 1.00 0.00 H +ATOM 1290 H2 TIP3A 430 34.130 54.179 45.883 1.00 0.00 H +ATOM 1291 O1 TIP3A 431 33.209 44.171 31.276 1.00 0.00 O +ATOM 1292 H1 TIP3A 431 32.629 43.881 30.573 1.00 0.00 H +ATOM 1293 H2 TIP3A 431 33.474 43.364 31.717 1.00 0.00 H +ATOM 1294 O1 TIP3A 432 3.839 28.126 49.157 1.00 0.00 O +ATOM 1295 H1 TIP3A 432 2.887 28.029 49.153 1.00 0.00 H +ATOM 1296 H2 TIP3A 432 3.997 28.912 49.681 1.00 0.00 H +ATOM 1297 O1 TIP3A 433 18.098 40.423 11.436 1.00 0.00 O +ATOM 1298 H1 TIP3A 433 18.105 39.498 11.679 1.00 0.00 H +ATOM 1299 H2 TIP3A 433 18.888 40.784 11.838 1.00 0.00 H +ATOM 1300 O1 TIP3A 434 16.396 48.896 36.799 1.00 0.00 O +ATOM 1301 H1 TIP3A 434 15.441 48.958 36.785 1.00 0.00 H +ATOM 1302 H2 TIP3A 434 16.695 49.806 36.811 1.00 0.00 H +ATOM 1303 O1 TIP3A 435 35.874 26.437 27.483 1.00 0.00 O +ATOM 1304 H1 TIP3A 435 36.581 27.028 27.740 1.00 0.00 H +ATOM 1305 H2 TIP3A 435 36.234 25.936 26.750 1.00 0.00 H +ATOM 1306 O1 TIP3A 436 16.175 21.237 53.971 1.00 0.00 O +ATOM 1307 H1 TIP3A 436 16.931 20.652 54.012 1.00 0.00 H +ATOM 1308 H2 TIP3A 436 16.356 21.909 54.629 1.00 0.00 H +ATOM 1309 O1 TIP3A 437 35.277 49.779 4.115 1.00 0.00 O +ATOM 1310 H1 TIP3A 437 34.807 49.406 4.860 1.00 0.00 H +ATOM 1311 H2 TIP3A 437 36.124 50.045 4.473 1.00 0.00 H +ATOM 1312 O1 TIP3A 438 13.816 46.671 28.715 1.00 0.00 O +ATOM 1313 H1 TIP3A 438 13.226 45.918 28.723 1.00 0.00 H +ATOM 1314 H2 TIP3A 438 14.507 46.441 29.336 1.00 0.00 H +ATOM 1315 O1 TIP3A 439 31.877 1.970 21.799 1.00 0.00 O +ATOM 1316 H1 TIP3A 439 32.161 2.033 20.888 1.00 0.00 H +ATOM 1317 H2 TIP3A 439 32.154 2.797 22.195 1.00 0.00 H +ATOM 1318 O1 TIP3A 440 46.053 13.573 48.341 1.00 0.00 O +ATOM 1319 H1 TIP3A 440 45.323 13.959 47.858 1.00 0.00 H +ATOM 1320 H2 TIP3A 440 46.481 14.318 48.764 1.00 0.00 H +ATOM 1321 O1 TIP3A 441 47.770 4.900 3.216 1.00 0.00 O +ATOM 1322 H1 TIP3A 441 48.385 4.215 3.475 1.00 0.00 H +ATOM 1323 H2 TIP3A 441 47.079 4.436 2.742 1.00 0.00 H +ATOM 1324 O1 TIP3A 442 56.822 30.589 48.925 1.00 0.00 O +ATOM 1325 H1 TIP3A 442 56.538 31.461 48.652 1.00 0.00 H +ATOM 1326 H2 TIP3A 442 56.376 30.442 49.760 1.00 0.00 H +ATOM 1327 O1 TIP3A 443 29.377 45.633 45.187 1.00 0.00 O +ATOM 1328 H1 TIP3A 443 29.654 46.523 45.403 1.00 0.00 H +ATOM 1329 H2 TIP3A 443 30.087 45.283 44.649 1.00 0.00 H +ATOM 1330 O1 TIP3A 444 32.647 24.570 11.004 1.00 0.00 O +ATOM 1331 H1 TIP3A 444 32.707 23.630 10.838 1.00 0.00 H +ATOM 1332 H2 TIP3A 444 33.349 24.749 11.630 1.00 0.00 H +ATOM 1333 O1 TIP3A 445 24.544 18.180 19.831 1.00 0.00 O +ATOM 1334 H1 TIP3A 445 24.749 17.448 19.250 1.00 0.00 H +ATOM 1335 H2 TIP3A 445 25.089 18.032 20.605 1.00 0.00 H +ATOM 1336 O1 TIP3A 446 18.591 4.841 4.227 1.00 0.00 O +ATOM 1337 H1 TIP3A 446 19.277 4.847 3.560 1.00 0.00 H +ATOM 1338 H2 TIP3A 446 17.840 4.434 3.795 1.00 0.00 H +ATOM 1339 O1 TIP3A 447 27.794 18.118 26.490 1.00 0.00 O +ATOM 1340 H1 TIP3A 447 28.311 17.357 26.754 1.00 0.00 H +ATOM 1341 H2 TIP3A 447 27.094 18.171 27.141 1.00 0.00 H +ATOM 1342 O1 TIP3A 448 7.307 40.396 56.611 1.00 0.00 O +ATOM 1343 H1 TIP3A 448 8.088 40.352 56.060 1.00 0.00 H +ATOM 1344 H2 TIP3A 448 6.833 39.586 56.421 1.00 0.00 H +ATOM 1345 O1 TIP3A 449 48.030 49.909 1.840 1.00 0.00 O +ATOM 1346 H1 TIP3A 449 47.623 49.057 1.990 1.00 0.00 H +ATOM 1347 H2 TIP3A 449 47.427 50.363 1.251 1.00 0.00 H +ATOM 1348 O1 TIP3A 450 51.400 17.184 33.372 1.00 0.00 O +ATOM 1349 H1 TIP3A 450 51.201 16.264 33.546 1.00 0.00 H +ATOM 1350 H2 TIP3A 450 52.349 17.249 33.488 1.00 0.00 H +ATOM 1351 O1 TIP3A 451 43.791 52.660 41.577 1.00 0.00 O +ATOM 1352 H1 TIP3A 451 43.462 51.882 41.128 1.00 0.00 H +ATOM 1353 H2 TIP3A 451 43.003 53.140 41.832 1.00 0.00 H +ATOM 1354 O1 TIP3A 452 12.391 18.633 35.153 1.00 0.00 O +ATOM 1355 H1 TIP3A 452 12.917 18.755 35.942 1.00 0.00 H +ATOM 1356 H2 TIP3A 452 12.214 17.692 35.126 1.00 0.00 H +ATOM 1357 O1 TIP3A 453 19.944 39.426 34.443 1.00 0.00 O +ATOM 1358 H1 TIP3A 453 20.069 38.992 33.600 1.00 0.00 H +ATOM 1359 H2 TIP3A 453 20.488 40.212 34.391 1.00 0.00 H +ATOM 1360 O1 TIP3A 454 38.368 57.510 11.365 1.00 0.00 O +ATOM 1361 H1 TIP3A 454 39.186 58.000 11.285 1.00 0.00 H +ATOM 1362 H2 TIP3A 454 37.861 57.993 12.018 1.00 0.00 H +ATOM 1363 O1 TIP3A 455 26.666 53.515 27.432 1.00 0.00 O +ATOM 1364 H1 TIP3A 455 27.314 54.148 27.739 1.00 0.00 H +ATOM 1365 H2 TIP3A 455 27.182 52.828 27.009 1.00 0.00 H +ATOM 1366 O1 TIP3A 456 10.400 52.239 33.642 1.00 0.00 O +ATOM 1367 H1 TIP3A 456 9.606 51.706 33.638 1.00 0.00 H +ATOM 1368 H2 TIP3A 456 10.607 52.369 32.716 1.00 0.00 H +ATOM 1369 O1 TIP3A 457 14.177 1.268 26.566 1.00 0.00 O +ATOM 1370 H1 TIP3A 457 13.952 0.529 27.129 1.00 0.00 H +ATOM 1371 H2 TIP3A 457 14.963 1.644 26.965 1.00 0.00 H +ATOM 1372 O1 TIP3A 458 18.762 0.231 28.408 1.00 0.00 O +ATOM 1373 H1 TIP3A 458 18.658 0.121 29.353 1.00 0.00 H +ATOM 1374 H2 TIP3A 458 19.690 0.057 28.247 1.00 0.00 H +ATOM 1375 O1 TIP3A 459 52.050 46.674 18.119 1.00 0.00 O +ATOM 1376 H1 TIP3A 459 51.118 46.771 18.314 1.00 0.00 H +ATOM 1377 H2 TIP3A 459 52.112 46.805 17.172 1.00 0.00 H +ATOM 1378 O1 TIP3A 460 3.470 32.403 2.466 1.00 0.00 O +ATOM 1379 H1 TIP3A 460 3.051 33.067 3.013 1.00 0.00 H +ATOM 1380 H2 TIP3A 460 2.824 32.211 1.785 1.00 0.00 H +ATOM 1381 O1 TIP3A 461 18.560 12.568 46.853 1.00 0.00 O +ATOM 1382 H1 TIP3A 461 18.240 11.858 47.408 1.00 0.00 H +ATOM 1383 H2 TIP3A 461 17.819 12.781 46.285 1.00 0.00 H +ATOM 1384 O1 TIP3A 462 48.387 29.867 15.333 1.00 0.00 O +ATOM 1385 H1 TIP3A 462 48.903 29.075 15.476 1.00 0.00 H +ATOM 1386 H2 TIP3A 462 48.000 29.748 14.465 1.00 0.00 H +ATOM 1387 O1 TIP3A 463 18.628 56.969 27.814 1.00 0.00 O +ATOM 1388 H1 TIP3A 463 18.909 56.949 26.900 1.00 0.00 H +ATOM 1389 H2 TIP3A 463 18.543 56.048 28.060 1.00 0.00 H +ATOM 1390 O1 TIP3A 464 54.106 54.072 21.620 1.00 0.00 O +ATOM 1391 H1 TIP3A 464 53.466 54.471 22.207 1.00 0.00 H +ATOM 1392 H2 TIP3A 464 54.368 54.782 21.033 1.00 0.00 H +ATOM 1393 O1 TIP3A 465 55.024 37.256 52.740 1.00 0.00 O +ATOM 1394 H1 TIP3A 465 54.405 37.982 52.812 1.00 0.00 H +ATOM 1395 H2 TIP3A 465 55.516 37.439 51.938 1.00 0.00 H +ATOM 1396 O1 TIP3A 466 7.977 30.576 2.006 1.00 0.00 O +ATOM 1397 H1 TIP3A 466 7.706 31.493 2.022 1.00 0.00 H +ATOM 1398 H2 TIP3A 466 7.411 30.146 2.648 1.00 0.00 H +ATOM 1399 O1 TIP3A 467 22.687 46.332 41.566 1.00 0.00 O +ATOM 1400 H1 TIP3A 467 23.533 46.156 41.977 1.00 0.00 H +ATOM 1401 H2 TIP3A 467 22.165 46.741 42.256 1.00 0.00 H +ATOM 1402 O1 TIP3A 468 9.633 19.129 8.753 1.00 0.00 O +ATOM 1403 H1 TIP3A 468 10.275 19.715 8.356 1.00 0.00 H +ATOM 1404 H2 TIP3A 468 9.055 18.880 8.031 1.00 0.00 H +ATOM 1405 O1 TIP3A 469 34.725 1.047 57.041 1.00 0.00 O +ATOM 1406 H1 TIP3A 469 35.616 1.154 56.710 1.00 0.00 H +ATOM 1407 H2 TIP3A 469 34.474 0.162 56.775 1.00 0.00 H +ATOM 1408 O1 TIP3A 470 49.421 14.235 5.040 1.00 0.00 O +ATOM 1409 H1 TIP3A 470 49.999 14.996 5.002 1.00 0.00 H +ATOM 1410 H2 TIP3A 470 49.823 13.598 4.447 1.00 0.00 H +ATOM 1411 O1 TIP3A 471 2.867 32.682 44.764 1.00 0.00 O +ATOM 1412 H1 TIP3A 471 3.179 31.778 44.764 1.00 0.00 H +ATOM 1413 H2 TIP3A 471 2.080 32.665 44.219 1.00 0.00 H +ATOM 1414 O1 TIP3A 472 33.871 2.630 39.083 1.00 0.00 O +ATOM 1415 H1 TIP3A 472 33.875 3.583 39.164 1.00 0.00 H +ATOM 1416 H2 TIP3A 472 33.043 2.358 39.480 1.00 0.00 H +ATOM 1417 O1 TIP3A 473 46.595 19.038 12.636 1.00 0.00 O +ATOM 1418 H1 TIP3A 473 45.711 19.399 12.582 1.00 0.00 H +ATOM 1419 H2 TIP3A 473 47.108 19.567 12.024 1.00 0.00 H +ATOM 1420 O1 TIP3A 474 48.541 28.674 22.412 1.00 0.00 O +ATOM 1421 H1 TIP3A 474 47.788 29.206 22.664 1.00 0.00 H +ATOM 1422 H2 TIP3A 474 48.515 27.924 23.007 1.00 0.00 H +ATOM 1423 O1 TIP3A 475 36.261 53.858 4.415 1.00 0.00 O +ATOM 1424 H1 TIP3A 475 35.337 53.773 4.181 1.00 0.00 H +ATOM 1425 H2 TIP3A 475 36.355 53.342 5.216 1.00 0.00 H +ATOM 1426 O1 TIP3A 476 5.413 51.834 5.610 1.00 0.00 O +ATOM 1427 H1 TIP3A 476 5.373 51.410 4.753 1.00 0.00 H +ATOM 1428 H2 TIP3A 476 5.495 51.110 6.232 1.00 0.00 H +ATOM 1429 O1 TIP3A 477 38.431 10.527 17.927 1.00 0.00 O +ATOM 1430 H1 TIP3A 477 38.578 11.243 17.310 1.00 0.00 H +ATOM 1431 H2 TIP3A 477 37.861 10.903 18.599 1.00 0.00 H +ATOM 1432 O1 TIP3A 478 16.111 44.818 21.471 1.00 0.00 O +ATOM 1433 H1 TIP3A 478 16.596 43.996 21.530 1.00 0.00 H +ATOM 1434 H2 TIP3A 478 16.670 45.459 21.912 1.00 0.00 H +ATOM 1435 O1 TIP3A 479 2.947 19.659 47.057 1.00 0.00 O +ATOM 1436 H1 TIP3A 479 3.904 19.675 47.064 1.00 0.00 H +ATOM 1437 H2 TIP3A 479 2.723 18.985 46.415 1.00 0.00 H +ATOM 1438 O1 TIP3A 480 22.836 37.484 40.906 1.00 0.00 O +ATOM 1439 H1 TIP3A 480 22.855 37.971 41.729 1.00 0.00 H +ATOM 1440 H2 TIP3A 480 22.988 36.573 41.163 1.00 0.00 H +ATOM 1441 O1 TIP3A 481 51.635 6.672 20.421 1.00 0.00 O +ATOM 1442 H1 TIP3A 481 52.494 6.614 20.838 1.00 0.00 H +ATOM 1443 H2 TIP3A 481 51.781 7.215 19.646 1.00 0.00 H +ATOM 1444 O1 TIP3A 482 6.165 30.544 27.989 1.00 0.00 O +ATOM 1445 H1 TIP3A 482 6.797 30.206 27.356 1.00 0.00 H +ATOM 1446 H2 TIP3A 482 6.111 29.863 28.661 1.00 0.00 H +ATOM 1447 O1 TIP3A 483 13.206 54.348 31.766 1.00 0.00 O +ATOM 1448 H1 TIP3A 483 13.034 53.606 31.187 1.00 0.00 H +ATOM 1449 H2 TIP3A 483 14.115 54.230 32.042 1.00 0.00 H +ATOM 1450 O1 TIP3A 484 36.224 13.932 23.490 1.00 0.00 O +ATOM 1451 H1 TIP3A 484 36.753 14.156 24.254 1.00 0.00 H +ATOM 1452 H2 TIP3A 484 35.802 14.754 23.240 1.00 0.00 H +ATOM 1453 O1 TIP3A 485 56.480 53.148 56.753 1.00 0.00 O +ATOM 1454 H1 TIP3A 485 56.919 52.476 57.273 1.00 0.00 H +ATOM 1455 H2 TIP3A 485 55.635 52.759 56.522 1.00 0.00 H +ATOM 1456 O1 TIP3A 486 12.649 1.398 55.001 1.00 0.00 O +ATOM 1457 H1 TIP3A 486 12.966 2.107 55.558 1.00 0.00 H +ATOM 1458 H2 TIP3A 486 13.156 1.482 54.193 1.00 0.00 H +ATOM 1459 O1 TIP3A 487 9.535 33.641 47.994 1.00 0.00 O +ATOM 1460 H1 TIP3A 487 9.725 33.346 47.104 1.00 0.00 H +ATOM 1461 H2 TIP3A 487 10.327 34.103 48.269 1.00 0.00 H +ATOM 1462 O1 TIP3A 488 33.574 34.632 1.752 1.00 0.00 O +ATOM 1463 H1 TIP3A 488 33.116 33.831 1.495 1.00 0.00 H +ATOM 1464 H2 TIP3A 488 33.066 35.338 1.351 1.00 0.00 H +ATOM 1465 O1 TIP3A 489 57.310 4.580 34.675 1.00 0.00 O +ATOM 1466 H1 TIP3A 489 56.354 4.595 34.652 1.00 0.00 H +ATOM 1467 H2 TIP3A 489 57.577 5.033 33.874 1.00 0.00 H +ATOM 1468 O1 TIP3A 490 15.159 57.525 43.607 1.00 0.00 O +ATOM 1469 H1 TIP3A 490 15.953 58.059 43.615 1.00 0.00 H +ATOM 1470 H2 TIP3A 490 15.249 56.973 42.829 1.00 0.00 H +ATOM 1471 O1 TIP3A 491 45.721 19.613 10.253 1.00 0.00 O +ATOM 1472 H1 TIP3A 491 44.853 19.567 9.853 1.00 0.00 H +ATOM 1473 H2 TIP3A 491 46.046 20.483 10.021 1.00 0.00 H +ATOM 1474 O1 TIP3A 492 25.462 49.516 57.369 1.00 0.00 O +ATOM 1475 H1 TIP3A 492 25.423 49.688 56.429 1.00 0.00 H +ATOM 1476 H2 TIP3A 492 26.258 48.997 57.486 1.00 0.00 H +ATOM 1477 O1 TIP3A 493 28.410 28.220 52.166 1.00 0.00 O +ATOM 1478 H1 TIP3A 493 28.853 27.385 52.312 1.00 0.00 H +ATOM 1479 H2 TIP3A 493 27.806 28.049 51.443 1.00 0.00 H +ATOM 1480 O1 TIP3A 494 8.442 20.052 0.657 1.00 0.00 O +ATOM 1481 H1 TIP3A 494 8.716 20.223 1.557 1.00 0.00 H +ATOM 1482 H2 TIP3A 494 8.611 19.118 0.528 1.00 0.00 H +ATOM 1483 O1 TIP3A 495 47.569 14.664 44.430 1.00 0.00 O +ATOM 1484 H1 TIP3A 495 47.298 13.802 44.118 1.00 0.00 H +ATOM 1485 H2 TIP3A 495 46.817 14.987 44.928 1.00 0.00 H +ATOM 1486 O1 TIP3A 496 54.610 55.574 15.204 1.00 0.00 O +ATOM 1487 H1 TIP3A 496 53.930 55.032 14.805 1.00 0.00 H +ATOM 1488 H2 TIP3A 496 54.959 55.036 15.915 1.00 0.00 H +ATOM 1489 O1 TIP3A 497 50.765 42.687 46.663 1.00 0.00 O +ATOM 1490 H1 TIP3A 497 50.791 43.640 46.744 1.00 0.00 H +ATOM 1491 H2 TIP3A 497 50.078 42.413 47.272 1.00 0.00 H +ATOM 1492 O1 TIP3A 498 31.566 29.876 37.624 1.00 0.00 O +ATOM 1493 H1 TIP3A 498 31.853 30.788 37.590 1.00 0.00 H +ATOM 1494 H2 TIP3A 498 30.837 29.877 38.246 1.00 0.00 H +ATOM 1495 O1 TIP3A 499 47.331 43.146 12.598 1.00 0.00 O +ATOM 1496 H1 TIP3A 499 47.032 44.049 12.706 1.00 0.00 H +ATOM 1497 H2 TIP3A 499 48.287 43.207 12.603 1.00 0.00 H +ATOM 1498 O1 TIP3A 500 25.576 18.421 57.260 1.00 0.00 O +ATOM 1499 H1 TIP3A 500 24.627 18.452 57.149 1.00 0.00 H +ATOM 1500 H2 TIP3A 500 25.714 17.804 57.979 1.00 0.00 H +ATOM 1501 O1 TIP3A 501 10.480 19.329 43.579 1.00 0.00 O +ATOM 1502 H1 TIP3A 501 10.781 19.426 42.676 1.00 0.00 H +ATOM 1503 H2 TIP3A 501 9.739 18.725 43.522 1.00 0.00 H +ATOM 1504 O1 TIP3A 502 34.798 17.208 20.791 1.00 0.00 O +ATOM 1505 H1 TIP3A 502 34.628 16.298 20.552 1.00 0.00 H +ATOM 1506 H2 TIP3A 502 35.148 17.605 19.992 1.00 0.00 H +ATOM 1507 O1 TIP3A 503 23.273 55.994 36.937 1.00 0.00 O +ATOM 1508 H1 TIP3A 503 23.917 56.378 36.343 1.00 0.00 H +ATOM 1509 H2 TIP3A 503 22.936 55.232 36.465 1.00 0.00 H +ATOM 1510 O1 TIP3A 504 48.249 41.660 17.445 1.00 0.00 O +ATOM 1511 H1 TIP3A 504 48.396 40.715 17.412 1.00 0.00 H +ATOM 1512 H2 TIP3A 504 49.096 42.026 17.703 1.00 0.00 H +ATOM 1513 O1 TIP3A 505 41.422 25.721 13.612 1.00 0.00 O +ATOM 1514 H1 TIP3A 505 40.704 25.118 13.803 1.00 0.00 H +ATOM 1515 H2 TIP3A 505 42.136 25.432 14.180 1.00 0.00 H +ATOM 1516 O1 TIP3A 506 46.768 9.255 54.534 1.00 0.00 O +ATOM 1517 H1 TIP3A 506 47.582 9.574 54.145 1.00 0.00 H +ATOM 1518 H2 TIP3A 506 46.466 8.572 53.935 1.00 0.00 H +ATOM 1519 O1 TIP3A 507 33.387 27.099 18.561 1.00 0.00 O +ATOM 1520 H1 TIP3A 507 32.542 27.405 18.235 1.00 0.00 H +ATOM 1521 H2 TIP3A 507 34.032 27.641 18.105 1.00 0.00 H +ATOM 1522 O1 TIP3A 508 44.841 8.847 57.522 1.00 0.00 O +ATOM 1523 H1 TIP3A 508 44.172 8.327 57.966 1.00 0.00 H +ATOM 1524 H2 TIP3A 508 44.571 8.852 56.603 1.00 0.00 H +ATOM 1525 O1 TIP3A 509 39.248 55.403 6.329 1.00 0.00 O +ATOM 1526 H1 TIP3A 509 39.738 55.556 7.136 1.00 0.00 H +ATOM 1527 H2 TIP3A 509 38.760 54.596 6.494 1.00 0.00 H +ATOM 1528 O1 TIP3A 510 25.696 41.971 54.065 1.00 0.00 O +ATOM 1529 H1 TIP3A 510 25.871 42.892 53.875 1.00 0.00 H +ATOM 1530 H2 TIP3A 510 24.749 41.878 53.952 1.00 0.00 H +ATOM 1531 O1 TIP3A 511 55.785 5.318 9.984 1.00 0.00 O +ATOM 1532 H1 TIP3A 511 56.196 6.180 10.044 1.00 0.00 H +ATOM 1533 H2 TIP3A 511 55.311 5.335 9.152 1.00 0.00 H +ATOM 1534 O1 TIP3A 512 48.250 22.562 54.703 1.00 0.00 O +ATOM 1535 H1 TIP3A 512 48.715 22.419 53.880 1.00 0.00 H +ATOM 1536 H2 TIP3A 512 47.472 23.064 54.455 1.00 0.00 H +ATOM 1537 O1 TIP3A 513 29.943 44.812 17.702 1.00 0.00 O +ATOM 1538 H1 TIP3A 513 30.075 45.623 18.192 1.00 0.00 H +ATOM 1539 H2 TIP3A 513 30.018 44.119 18.359 1.00 0.00 H +ATOM 1540 O1 TIP3A 514 18.145 37.523 6.016 1.00 0.00 O +ATOM 1541 H1 TIP3A 514 17.764 36.912 5.386 1.00 0.00 H +ATOM 1542 H2 TIP3A 514 17.841 38.385 5.729 1.00 0.00 H +ATOM 1543 O1 TIP3A 515 14.312 46.862 52.992 1.00 0.00 O +ATOM 1544 H1 TIP3A 515 14.346 47.778 53.266 1.00 0.00 H +ATOM 1545 H2 TIP3A 515 14.935 46.805 52.267 1.00 0.00 H +ATOM 1546 O1 TIP3A 516 25.101 32.432 50.266 1.00 0.00 O +ATOM 1547 H1 TIP3A 516 25.099 33.386 50.210 1.00 0.00 H +ATOM 1548 H2 TIP3A 516 25.789 32.157 49.659 1.00 0.00 H +ATOM 1549 O1 TIP3A 517 33.681 45.221 55.789 1.00 0.00 O +ATOM 1550 H1 TIP3A 517 33.024 45.769 56.217 1.00 0.00 H +ATOM 1551 H2 TIP3A 517 34.166 45.823 55.225 1.00 0.00 H +ATOM 1552 O1 TIP3A 518 7.609 4.923 31.217 1.00 0.00 O +ATOM 1553 H1 TIP3A 518 7.739 4.418 30.414 1.00 0.00 H +ATOM 1554 H2 TIP3A 518 7.594 5.835 30.927 1.00 0.00 H +ATOM 1555 O1 TIP3A 519 43.546 0.843 28.860 1.00 0.00 O +ATOM 1556 H1 TIP3A 519 42.647 1.127 29.016 1.00 0.00 H +ATOM 1557 H2 TIP3A 519 43.611 -0.002 29.306 1.00 0.00 H +ATOM 1558 O1 TIP3A 520 17.997 7.922 53.296 1.00 0.00 O +ATOM 1559 H1 TIP3A 520 17.173 7.775 52.834 1.00 0.00 H +ATOM 1560 H2 TIP3A 520 18.470 8.550 52.750 1.00 0.00 H +ATOM 1561 O1 TIP3A 521 7.896 9.882 48.807 1.00 0.00 O +ATOM 1562 H1 TIP3A 521 7.656 9.262 49.494 1.00 0.00 H +ATOM 1563 H2 TIP3A 521 8.283 9.341 48.118 1.00 0.00 H +ATOM 1564 O1 TIP3A 522 33.371 50.890 7.859 1.00 0.00 O +ATOM 1565 H1 TIP3A 522 33.345 51.553 7.170 1.00 0.00 H +ATOM 1566 H2 TIP3A 522 32.652 51.125 8.446 1.00 0.00 H +ATOM 1567 O1 TIP3A 523 44.290 3.052 39.229 1.00 0.00 O +ATOM 1568 H1 TIP3A 523 45.184 2.712 39.242 1.00 0.00 H +ATOM 1569 H2 TIP3A 523 44.253 3.599 38.443 1.00 0.00 H +ATOM 1570 O1 TIP3A 524 30.040 32.962 12.304 1.00 0.00 O +ATOM 1571 H1 TIP3A 524 30.429 33.836 12.298 1.00 0.00 H +ATOM 1572 H2 TIP3A 524 30.447 32.513 11.562 1.00 0.00 H +ATOM 1573 O1 TIP3A 525 11.295 40.516 51.155 1.00 0.00 O +ATOM 1574 H1 TIP3A 525 11.721 40.201 50.359 1.00 0.00 H +ATOM 1575 H2 TIP3A 525 12.016 40.681 51.764 1.00 0.00 H +ATOM 1576 O1 TIP3A 526 38.185 34.717 7.567 1.00 0.00 O +ATOM 1577 H1 TIP3A 526 38.899 35.257 7.904 1.00 0.00 H +ATOM 1578 H2 TIP3A 526 37.880 34.220 8.327 1.00 0.00 H +ATOM 1579 O1 TIP3A 527 34.081 43.689 27.242 1.00 0.00 O +ATOM 1580 H1 TIP3A 527 33.627 44.531 27.223 1.00 0.00 H +ATOM 1581 H2 TIP3A 527 34.764 43.770 26.575 1.00 0.00 H +ATOM 1582 O1 TIP3A 528 49.808 12.687 36.827 1.00 0.00 O +ATOM 1583 H1 TIP3A 528 49.880 12.911 35.900 1.00 0.00 H +ATOM 1584 H2 TIP3A 528 49.155 13.296 37.172 1.00 0.00 H +ATOM 1585 O1 TIP3A 529 42.293 17.466 28.714 1.00 0.00 O +ATOM 1586 H1 TIP3A 529 42.930 16.844 28.366 1.00 0.00 H +ATOM 1587 H2 TIP3A 529 41.482 16.962 28.791 1.00 0.00 H +ATOM 1588 O1 TIP3A 530 7.304 3.026 28.530 1.00 0.00 O +ATOM 1589 H1 TIP3A 530 7.378 3.897 28.139 1.00 0.00 H +ATOM 1590 H2 TIP3A 530 7.936 2.492 28.048 1.00 0.00 H +ATOM 1591 O1 TIP3A 531 15.656 16.890 6.722 1.00 0.00 O +ATOM 1592 H1 TIP3A 531 16.141 16.093 6.934 1.00 0.00 H +ATOM 1593 H2 TIP3A 531 16.331 17.522 6.472 1.00 0.00 H +ATOM 1594 O1 TIP3A 532 1.599 40.745 13.548 1.00 0.00 O +ATOM 1595 H1 TIP3A 532 1.863 41.661 13.471 1.00 0.00 H +ATOM 1596 H2 TIP3A 532 0.642 40.767 13.503 1.00 0.00 H +ATOM 1597 O1 TIP3A 533 30.783 23.381 11.928 1.00 0.00 O +ATOM 1598 H1 TIP3A 533 29.940 22.929 11.916 1.00 0.00 H +ATOM 1599 H2 TIP3A 533 31.295 22.917 12.591 1.00 0.00 H +ATOM 1600 O1 TIP3A 534 0.622 14.935 11.070 1.00 0.00 O +ATOM 1601 H1 TIP3A 534 0.128 15.688 10.747 1.00 0.00 H +ATOM 1602 H2 TIP3A 534 -0.000 14.458 11.621 1.00 0.00 H +ATOM 1603 O1 TIP3A 535 49.806 51.320 0.332 1.00 0.00 O +ATOM 1604 H1 TIP3A 535 49.580 51.546 1.234 1.00 0.00 H +ATOM 1605 H2 TIP3A 535 50.372 52.035 0.040 1.00 0.00 H +ATOM 1606 O1 TIP3A 536 26.297 13.170 36.625 1.00 0.00 O +ATOM 1607 H1 TIP3A 536 25.451 13.181 37.073 1.00 0.00 H +ATOM 1608 H2 TIP3A 536 26.568 14.088 36.603 1.00 0.00 H +ATOM 1609 O1 TIP3A 537 48.358 49.742 18.145 1.00 0.00 O +ATOM 1610 H1 TIP3A 537 49.298 49.902 18.062 1.00 0.00 H +ATOM 1611 H2 TIP3A 537 48.117 49.301 17.330 1.00 0.00 H +ATOM 1612 O1 TIP3A 538 49.734 42.863 57.580 1.00 0.00 O +ATOM 1613 H1 TIP3A 538 50.371 42.279 57.171 1.00 0.00 H +ATOM 1614 H2 TIP3A 538 50.265 43.539 58.004 1.00 0.00 H +ATOM 1615 O1 TIP3A 539 22.898 22.220 1.319 1.00 0.00 O +ATOM 1616 H1 TIP3A 539 22.115 22.415 0.806 1.00 0.00 H +ATOM 1617 H2 TIP3A 539 23.075 23.026 1.805 1.00 0.00 H +ATOM 1618 O1 TIP3A 540 53.807 44.792 12.909 1.00 0.00 O +ATOM 1619 H1 TIP3A 540 54.521 45.354 12.610 1.00 0.00 H +ATOM 1620 H2 TIP3A 540 53.018 45.321 12.789 1.00 0.00 H +ATOM 1621 O1 TIP3A 541 17.895 13.008 33.443 1.00 0.00 O +ATOM 1622 H1 TIP3A 541 18.105 13.941 33.413 1.00 0.00 H +ATOM 1623 H2 TIP3A 541 17.505 12.877 34.308 1.00 0.00 H +ATOM 1624 O1 TIP3A 542 11.870 3.642 1.819 1.00 0.00 O +ATOM 1625 H1 TIP3A 542 11.045 3.626 1.336 1.00 0.00 H +ATOM 1626 H2 TIP3A 542 11.728 3.050 2.558 1.00 0.00 H +ATOM 1627 O1 TIP3A 543 37.124 31.818 10.231 1.00 0.00 O +ATOM 1628 H1 TIP3A 543 37.391 32.569 9.703 1.00 0.00 H +ATOM 1629 H2 TIP3A 543 37.654 31.883 11.026 1.00 0.00 H +ATOM 1630 O1 TIP3A 544 31.541 14.223 16.237 1.00 0.00 O +ATOM 1631 H1 TIP3A 544 30.702 14.613 16.481 1.00 0.00 H +ATOM 1632 H2 TIP3A 544 31.738 13.613 16.948 1.00 0.00 H +ATOM 1633 O1 TIP3A 545 39.144 3.890 4.452 1.00 0.00 O +ATOM 1634 H1 TIP3A 545 38.821 4.703 4.064 1.00 0.00 H +ATOM 1635 H2 TIP3A 545 40.014 4.112 4.786 1.00 0.00 H +ATOM 1636 O1 TIP3A 546 22.651 9.371 32.277 1.00 0.00 O +ATOM 1637 H1 TIP3A 546 22.923 9.560 33.174 1.00 0.00 H +ATOM 1638 H2 TIP3A 546 23.471 9.249 31.798 1.00 0.00 H +ATOM 1639 O1 TIP3A 547 30.704 41.840 45.592 1.00 0.00 O +ATOM 1640 H1 TIP3A 547 31.635 41.769 45.386 1.00 0.00 H +ATOM 1641 H2 TIP3A 547 30.262 41.408 44.860 1.00 0.00 H +ATOM 1642 O1 TIP3A 548 12.972 23.209 24.069 1.00 0.00 O +ATOM 1643 H1 TIP3A 548 12.038 23.067 24.218 1.00 0.00 H +ATOM 1644 H2 TIP3A 548 13.351 23.261 24.947 1.00 0.00 H +ATOM 1645 O1 TIP3A 549 18.953 35.718 7.303 1.00 0.00 O +ATOM 1646 H1 TIP3A 549 18.547 35.954 8.136 1.00 0.00 H +ATOM 1647 H2 TIP3A 549 19.647 36.367 7.182 1.00 0.00 H +ATOM 1648 O1 TIP3A 550 7.940 20.370 4.447 1.00 0.00 O +ATOM 1649 H1 TIP3A 550 7.458 20.515 3.633 1.00 0.00 H +ATOM 1650 H2 TIP3A 550 7.303 20.553 5.138 1.00 0.00 H +ATOM 1651 O1 TIP3A 551 28.853 24.338 20.941 1.00 0.00 O +ATOM 1652 H1 TIP3A 551 28.131 23.780 21.230 1.00 0.00 H +ATOM 1653 H2 TIP3A 551 28.587 24.646 20.075 1.00 0.00 H +ATOM 1654 O1 TIP3A 552 46.671 25.524 6.827 1.00 0.00 O +ATOM 1655 H1 TIP3A 552 46.980 24.730 6.390 1.00 0.00 H +ATOM 1656 H2 TIP3A 552 47.368 25.743 7.446 1.00 0.00 H +ATOM 1657 O1 TIP3A 553 41.533 57.093 16.094 1.00 0.00 O +ATOM 1658 H1 TIP3A 553 41.326 56.212 16.403 1.00 0.00 H +ATOM 1659 H2 TIP3A 553 41.036 57.185 15.280 1.00 0.00 H +ATOM 1660 O1 TIP3A 554 24.506 28.843 7.643 1.00 0.00 O +ATOM 1661 H1 TIP3A 554 25.398 28.939 7.310 1.00 0.00 H +ATOM 1662 H2 TIP3A 554 24.614 28.729 8.588 1.00 0.00 H +ATOM 1663 O1 TIP3A 555 16.297 27.879 52.302 1.00 0.00 O +ATOM 1664 H1 TIP3A 555 15.952 26.990 52.233 1.00 0.00 H +ATOM 1665 H2 TIP3A 555 15.641 28.353 52.814 1.00 0.00 H +ATOM 1666 O1 TIP3A 556 11.367 41.347 7.152 1.00 0.00 O +ATOM 1667 H1 TIP3A 556 12.258 41.393 6.807 1.00 0.00 H +ATOM 1668 H2 TIP3A 556 10.904 40.768 6.546 1.00 0.00 H +ATOM 1669 O1 TIP3A 557 16.455 37.078 32.967 1.00 0.00 O +ATOM 1670 H1 TIP3A 557 15.617 36.678 32.740 1.00 0.00 H +ATOM 1671 H2 TIP3A 557 17.112 36.480 32.610 1.00 0.00 H +ATOM 1672 O1 TIP3A 558 25.873 29.593 40.215 1.00 0.00 O +ATOM 1673 H1 TIP3A 558 26.772 29.272 40.267 1.00 0.00 H +ATOM 1674 H2 TIP3A 558 25.733 30.050 41.045 1.00 0.00 H +ATOM 1675 O1 TIP3A 559 16.649 13.130 30.669 1.00 0.00 O +ATOM 1676 H1 TIP3A 559 17.056 13.779 31.242 1.00 0.00 H +ATOM 1677 H2 TIP3A 559 16.339 13.633 29.916 1.00 0.00 H +ATOM 1678 O1 TIP3A 560 44.705 10.896 46.808 1.00 0.00 O +ATOM 1679 H1 TIP3A 560 44.445 11.621 46.240 1.00 0.00 H +ATOM 1680 H2 TIP3A 560 44.296 11.092 47.651 1.00 0.00 H +ATOM 1681 O1 TIP3A 561 13.639 2.396 23.523 1.00 0.00 O +ATOM 1682 H1 TIP3A 561 14.310 2.903 23.978 1.00 0.00 H +ATOM 1683 H2 TIP3A 561 12.812 2.805 23.782 1.00 0.00 H +ATOM 1684 O1 TIP3A 562 4.117 11.868 31.189 1.00 0.00 O +ATOM 1685 H1 TIP3A 562 4.185 12.192 32.087 1.00 0.00 H +ATOM 1686 H2 TIP3A 562 5.015 11.634 30.950 1.00 0.00 H +ATOM 1687 O1 TIP3A 563 7.875 5.231 8.678 1.00 0.00 O +ATOM 1688 H1 TIP3A 563 7.022 5.573 8.413 1.00 0.00 H +ATOM 1689 H2 TIP3A 563 7.675 4.412 9.133 1.00 0.00 H +ATOM 1690 O1 TIP3A 564 47.733 53.441 39.634 1.00 0.00 O +ATOM 1691 H1 TIP3A 564 48.015 52.533 39.527 1.00 0.00 H +ATOM 1692 H2 TIP3A 564 47.695 53.788 38.742 1.00 0.00 H +ATOM 1693 O1 TIP3A 565 8.865 1.611 13.102 1.00 0.00 O +ATOM 1694 H1 TIP3A 565 8.274 2.356 13.004 1.00 0.00 H +ATOM 1695 H2 TIP3A 565 8.532 1.139 13.866 1.00 0.00 H +ATOM 1696 O1 TIP3A 566 16.721 30.013 11.536 1.00 0.00 O +ATOM 1697 H1 TIP3A 566 16.797 30.551 12.323 1.00 0.00 H +ATOM 1698 H2 TIP3A 566 17.609 29.982 11.178 1.00 0.00 H +ATOM 1699 O1 TIP3A 567 36.976 44.804 48.664 1.00 0.00 O +ATOM 1700 H1 TIP3A 567 36.227 45.320 48.369 1.00 0.00 H +ATOM 1701 H2 TIP3A 567 37.730 45.203 48.227 1.00 0.00 H +ATOM 1702 O1 TIP3A 568 23.361 9.410 5.014 1.00 0.00 O +ATOM 1703 H1 TIP3A 568 23.809 8.691 4.570 1.00 0.00 H +ATOM 1704 H2 TIP3A 568 23.880 10.186 4.798 1.00 0.00 H +ATOM 1705 O1 TIP3A 569 13.950 0.616 35.618 1.00 0.00 O +ATOM 1706 H1 TIP3A 569 13.079 1.003 35.534 1.00 0.00 H +ATOM 1707 H2 TIP3A 569 14.046 0.070 34.837 1.00 0.00 H +ATOM 1708 O1 TIP3A 570 54.065 31.725 23.764 1.00 0.00 O +ATOM 1709 H1 TIP3A 570 54.991 31.695 23.524 1.00 0.00 H +ATOM 1710 H2 TIP3A 570 54.046 32.217 24.585 1.00 0.00 H +ATOM 1711 O1 TIP3A 571 17.966 6.758 15.050 1.00 0.00 O +ATOM 1712 H1 TIP3A 571 18.635 6.944 14.391 1.00 0.00 H +ATOM 1713 H2 TIP3A 571 17.692 5.859 14.866 1.00 0.00 H +ATOM 1714 O1 TIP3A 572 6.553 33.827 18.589 1.00 0.00 O +ATOM 1715 H1 TIP3A 572 6.191 34.000 17.720 1.00 0.00 H +ATOM 1716 H2 TIP3A 572 6.870 34.679 18.890 1.00 0.00 H +ATOM 1717 O1 TIP3A 573 27.937 4.175 36.588 1.00 0.00 O +ATOM 1718 H1 TIP3A 573 28.632 4.815 36.741 1.00 0.00 H +ATOM 1719 H2 TIP3A 573 27.129 4.689 36.606 1.00 0.00 H +ATOM 1720 O1 TIP3A 574 53.189 36.756 10.055 1.00 0.00 O +ATOM 1721 H1 TIP3A 574 53.734 36.005 10.288 1.00 0.00 H +ATOM 1722 H2 TIP3A 574 53.760 37.515 10.176 1.00 0.00 H +ATOM 1723 O1 TIP3A 575 8.035 42.334 9.001 1.00 0.00 O +ATOM 1724 H1 TIP3A 575 8.530 41.801 9.622 1.00 0.00 H +ATOM 1725 H2 TIP3A 575 7.215 41.856 8.874 1.00 0.00 H +ATOM 1726 O1 TIP3A 576 52.206 23.468 55.969 1.00 0.00 O +ATOM 1727 H1 TIP3A 576 52.338 22.787 55.310 1.00 0.00 H +ATOM 1728 H2 TIP3A 576 52.701 24.219 55.640 1.00 0.00 H +ATOM 1729 O1 TIP3A 577 57.015 16.182 47.679 1.00 0.00 O +ATOM 1730 H1 TIP3A 577 56.695 16.006 46.795 1.00 0.00 H +ATOM 1731 H2 TIP3A 577 57.968 16.203 47.590 1.00 0.00 H +ATOM 1732 O1 TIP3A 578 16.495 47.429 46.306 1.00 0.00 O +ATOM 1733 H1 TIP3A 578 16.488 48.384 46.260 1.00 0.00 H +ATOM 1734 H2 TIP3A 578 15.915 47.150 45.597 1.00 0.00 H +ATOM 1735 O1 TIP3A 579 5.702 7.756 32.611 1.00 0.00 O +ATOM 1736 H1 TIP3A 579 5.779 6.885 32.998 1.00 0.00 H +ATOM 1737 H2 TIP3A 579 5.138 7.630 31.847 1.00 0.00 H +ATOM 1738 O1 TIP3A 580 18.654 31.747 31.573 1.00 0.00 O +ATOM 1739 H1 TIP3A 580 19.119 32.362 32.140 1.00 0.00 H +ATOM 1740 H2 TIP3A 580 18.674 32.157 30.707 1.00 0.00 H +ATOM 1741 O1 TIP3A 581 39.316 52.611 45.977 1.00 0.00 O +ATOM 1742 H1 TIP3A 581 39.318 52.130 45.150 1.00 0.00 H +ATOM 1743 H2 TIP3A 581 40.184 52.453 46.349 1.00 0.00 H +ATOM 1744 O1 TIP3A 582 49.423 39.050 12.712 1.00 0.00 O +ATOM 1745 H1 TIP3A 582 48.661 39.072 12.133 1.00 0.00 H +ATOM 1746 H2 TIP3A 582 49.874 38.237 12.483 1.00 0.00 H +ATOM 1747 O1 TIP3A 583 55.030 44.668 33.579 1.00 0.00 O +ATOM 1748 H1 TIP3A 583 55.376 43.845 33.236 1.00 0.00 H +ATOM 1749 H2 TIP3A 583 54.081 44.540 33.600 1.00 0.00 H +ATOM 1750 O1 TIP3A 584 36.826 7.166 25.922 1.00 0.00 O +ATOM 1751 H1 TIP3A 584 35.975 6.730 25.889 1.00 0.00 H +ATOM 1752 H2 TIP3A 584 36.717 7.947 25.378 1.00 0.00 H +ATOM 1753 O1 TIP3A 585 22.586 25.975 28.973 1.00 0.00 O +ATOM 1754 H1 TIP3A 585 22.618 25.176 29.498 1.00 0.00 H +ATOM 1755 H2 TIP3A 585 23.432 26.004 28.526 1.00 0.00 H +ATOM 1756 O1 TIP3A 586 3.799 1.952 26.345 1.00 0.00 O +ATOM 1757 H1 TIP3A 586 3.104 2.424 25.888 1.00 0.00 H +ATOM 1758 H2 TIP3A 586 3.577 1.027 26.231 1.00 0.00 H +ATOM 1759 O1 TIP3A 587 55.590 18.576 36.772 1.00 0.00 O +ATOM 1760 H1 TIP3A 587 54.977 19.259 36.501 1.00 0.00 H +ATOM 1761 H2 TIP3A 587 56.343 18.684 36.190 1.00 0.00 H +ATOM 1762 O1 TIP3A 588 47.982 45.351 48.917 1.00 0.00 O +ATOM 1763 H1 TIP3A 588 47.982 45.807 49.758 1.00 0.00 H +ATOM 1764 H2 TIP3A 588 48.866 44.992 48.839 1.00 0.00 H +ATOM 1765 O1 TIP3A 589 12.799 13.372 8.374 1.00 0.00 O +ATOM 1766 H1 TIP3A 589 13.717 13.626 8.289 1.00 0.00 H +ATOM 1767 H2 TIP3A 589 12.694 12.641 7.765 1.00 0.00 H +ATOM 1768 O1 TIP3A 590 24.694 41.866 23.523 1.00 0.00 O +ATOM 1769 H1 TIP3A 590 25.408 41.360 23.910 1.00 0.00 H +ATOM 1770 H2 TIP3A 590 25.125 42.452 22.901 1.00 0.00 H +ATOM 1771 O1 TIP3A 591 46.986 56.221 9.082 1.00 0.00 O +ATOM 1772 H1 TIP3A 591 46.308 55.603 8.811 1.00 0.00 H +ATOM 1773 H2 TIP3A 591 46.525 56.857 9.631 1.00 0.00 H +ATOM 1774 O1 TIP3A 592 7.267 56.919 29.044 1.00 0.00 O +ATOM 1775 H1 TIP3A 592 8.118 57.136 29.423 1.00 0.00 H +ATOM 1776 H2 TIP3A 592 6.644 57.471 29.517 1.00 0.00 H +ATOM 1777 O1 TIP3A 593 50.640 9.405 21.337 1.00 0.00 O +ATOM 1778 H1 TIP3A 593 51.470 8.941 21.238 1.00 0.00 H +ATOM 1779 H2 TIP3A 593 50.813 10.065 22.010 1.00 0.00 H +ATOM 1780 O1 TIP3A 594 41.194 3.146 19.347 1.00 0.00 O +ATOM 1781 H1 TIP3A 594 41.014 3.637 20.148 1.00 0.00 H +ATOM 1782 H2 TIP3A 594 40.914 2.252 19.546 1.00 0.00 H +ATOM 1783 O1 TIP3A 595 58.009 18.301 3.262 1.00 0.00 O +ATOM 1784 H1 TIP3A 595 57.761 17.378 3.228 1.00 0.00 H +ATOM 1785 H2 TIP3A 595 57.279 18.761 2.845 1.00 0.00 H +ATOM 1786 O1 TIP3A 596 55.888 6.024 26.904 1.00 0.00 O +ATOM 1787 H1 TIP3A 596 55.484 5.198 26.639 1.00 0.00 H +ATOM 1788 H2 TIP3A 596 55.762 6.060 27.853 1.00 0.00 H +ATOM 1789 O1 TIP3A 597 10.377 15.562 43.002 1.00 0.00 O +ATOM 1790 H1 TIP3A 597 10.031 15.460 43.888 1.00 0.00 H +ATOM 1791 H2 TIP3A 597 10.015 14.821 42.515 1.00 0.00 H +ATOM 1792 O1 TIP3A 598 13.603 20.223 48.223 1.00 0.00 O +ATOM 1793 H1 TIP3A 598 13.896 21.132 48.280 1.00 0.00 H +ATOM 1794 H2 TIP3A 598 12.968 20.130 48.934 1.00 0.00 H +ATOM 1795 O1 TIP3A 599 5.562 24.807 9.823 1.00 0.00 O +ATOM 1796 H1 TIP3A 599 5.297 25.095 10.695 1.00 0.00 H +ATOM 1797 H2 TIP3A 599 6.200 25.461 9.537 1.00 0.00 H +ATOM 1798 O1 TIP3A 600 49.005 1.098 6.622 1.00 0.00 O +ATOM 1799 H1 TIP3A 600 48.129 1.247 6.977 1.00 0.00 H +ATOM 1800 H2 TIP3A 600 49.451 0.579 7.292 1.00 0.00 H +ATOM 1801 O1 TIP3A 601 43.900 51.579 48.075 1.00 0.00 O +ATOM 1802 H1 TIP3A 601 43.792 52.356 47.527 1.00 0.00 H +ATOM 1803 H2 TIP3A 601 43.773 50.843 47.476 1.00 0.00 H +ATOM 1804 O1 TIP3A 602 53.200 44.798 40.921 1.00 0.00 O +ATOM 1805 H1 TIP3A 602 53.005 43.866 41.009 1.00 0.00 H +ATOM 1806 H2 TIP3A 602 54.146 44.859 41.053 1.00 0.00 H +ATOM 1807 O1 TIP3A 603 53.507 13.719 6.575 1.00 0.00 O +ATOM 1808 H1 TIP3A 603 54.068 12.946 6.629 1.00 0.00 H +ATOM 1809 H2 TIP3A 603 53.894 14.340 7.193 1.00 0.00 H +ATOM 1810 O1 TIP3A 604 56.652 4.959 11.990 1.00 0.00 O +ATOM 1811 H1 TIP3A 604 57.349 4.680 12.582 1.00 0.00 H +ATOM 1812 H2 TIP3A 604 56.129 4.169 11.845 1.00 0.00 H +ATOM 1813 O1 TIP3A 605 1.123 5.572 28.624 1.00 0.00 O +ATOM 1814 H1 TIP3A 605 1.386 5.072 29.397 1.00 0.00 H +ATOM 1815 H2 TIP3A 605 1.212 6.488 28.889 1.00 0.00 H +ATOM 1816 O1 TIP3A 606 14.555 11.260 22.963 1.00 0.00 O +ATOM 1817 H1 TIP3A 606 15.004 10.415 22.951 1.00 0.00 H +ATOM 1818 H2 TIP3A 606 15.124 11.826 23.486 1.00 0.00 H +ATOM 1819 O1 TIP3A 607 11.967 30.730 50.123 1.00 0.00 O +ATOM 1820 H1 TIP3A 607 12.905 30.744 49.936 1.00 0.00 H +ATOM 1821 H2 TIP3A 607 11.668 29.883 49.793 1.00 0.00 H +ATOM 1822 O1 TIP3A 608 22.076 21.200 38.287 1.00 0.00 O +ATOM 1823 H1 TIP3A 608 21.439 21.543 38.912 1.00 0.00 H +ATOM 1824 H2 TIP3A 608 22.389 21.972 37.815 1.00 0.00 H +ATOM 1825 O1 TIP3A 609 12.891 30.475 52.402 1.00 0.00 O +ATOM 1826 H1 TIP3A 609 13.658 29.905 52.355 1.00 0.00 H +ATOM 1827 H2 TIP3A 609 12.990 30.944 53.231 1.00 0.00 H +ATOM 1828 O1 TIP3A 610 -0.001 56.492 40.672 1.00 0.00 O +ATOM 1829 H1 TIP3A 610 0.496 56.888 39.957 1.00 0.00 H +ATOM 1830 H2 TIP3A 610 0.215 55.561 40.629 1.00 0.00 H +ATOM 1831 O1 TIP3A 611 13.224 28.998 30.287 1.00 0.00 O +ATOM 1832 H1 TIP3A 611 12.602 29.501 30.810 1.00 0.00 H +ATOM 1833 H2 TIP3A 611 14.074 29.167 30.695 1.00 0.00 H +ATOM 1834 O1 TIP3A 612 18.245 29.713 54.799 1.00 0.00 O +ATOM 1835 H1 TIP3A 612 17.529 29.996 54.231 1.00 0.00 H +ATOM 1836 H2 TIP3A 612 18.778 29.140 54.246 1.00 0.00 H +ATOM 1837 O1 TIP3A 613 9.109 6.968 9.224 1.00 0.00 O +ATOM 1838 H1 TIP3A 613 9.238 7.916 9.206 1.00 0.00 H +ATOM 1839 H2 TIP3A 613 9.223 6.728 10.144 1.00 0.00 H +ATOM 1840 O1 TIP3A 614 38.162 28.998 23.964 1.00 0.00 O +ATOM 1841 H1 TIP3A 614 37.721 29.207 23.141 1.00 0.00 H +ATOM 1842 H2 TIP3A 614 37.466 29.019 24.622 1.00 0.00 H +ATOM 1843 O1 TIP3A 615 18.368 55.450 50.962 1.00 0.00 O +ATOM 1844 H1 TIP3A 615 17.896 54.713 51.347 1.00 0.00 H +ATOM 1845 H2 TIP3A 615 17.814 56.210 51.141 1.00 0.00 H +ATOM 1846 O1 TIP3A 616 25.643 11.735 40.482 1.00 0.00 O +ATOM 1847 H1 TIP3A 616 24.911 11.120 40.459 1.00 0.00 H +ATOM 1848 H2 TIP3A 616 25.427 12.390 39.817 1.00 0.00 H +ATOM 1849 O1 TIP3A 617 6.333 26.886 25.842 1.00 0.00 O +ATOM 1850 H1 TIP3A 617 6.707 27.698 26.183 1.00 0.00 H +ATOM 1851 H2 TIP3A 617 6.808 26.192 26.301 1.00 0.00 H +ATOM 1852 O1 TIP3A 618 9.197 26.055 20.042 1.00 0.00 O +ATOM 1853 H1 TIP3A 618 9.456 26.154 19.127 1.00 0.00 H +ATOM 1854 H2 TIP3A 618 8.476 25.425 20.021 1.00 0.00 H +ATOM 1855 O1 TIP3A 619 57.236 28.993 3.830 1.00 0.00 O +ATOM 1856 H1 TIP3A 619 58.000 29.538 3.645 1.00 0.00 H +ATOM 1857 H2 TIP3A 619 57.328 28.244 3.239 1.00 0.00 H +ATOM 1858 O1 TIP3A 620 29.391 23.758 2.496 1.00 0.00 O +ATOM 1859 H1 TIP3A 620 28.599 24.292 2.448 1.00 0.00 H +ATOM 1860 H2 TIP3A 620 29.969 24.124 1.826 1.00 0.00 H +ATOM 1861 O1 TIP3A 621 42.990 32.855 0.648 1.00 0.00 O +ATOM 1862 H1 TIP3A 621 42.586 33.593 0.192 1.00 0.00 H +ATOM 1863 H2 TIP3A 621 43.692 32.566 0.064 1.00 0.00 H +ATOM 1864 O1 TIP3A 622 0.753 44.468 14.862 1.00 0.00 O +ATOM 1865 H1 TIP3A 622 0.057 45.123 14.813 1.00 0.00 H +ATOM 1866 H2 TIP3A 622 0.531 43.938 15.628 1.00 0.00 H +ATOM 1867 O1 TIP3A 623 39.915 34.404 41.278 1.00 0.00 O +ATOM 1868 H1 TIP3A 623 40.200 35.317 41.269 1.00 0.00 H +ATOM 1869 H2 TIP3A 623 39.020 34.429 40.939 1.00 0.00 H +ATOM 1870 O1 TIP3A 624 9.154 43.537 20.578 1.00 0.00 O +ATOM 1871 H1 TIP3A 624 9.977 43.140 20.298 1.00 0.00 H +ATOM 1872 H2 TIP3A 624 9.352 44.471 20.655 1.00 0.00 H +ATOM 1873 O1 TIP3A 625 20.575 17.617 12.878 1.00 0.00 O +ATOM 1874 H1 TIP3A 625 20.587 18.569 12.783 1.00 0.00 H +ATOM 1875 H2 TIP3A 625 19.664 17.408 13.087 1.00 0.00 H +ATOM 1876 O1 TIP3A 626 12.528 26.638 22.195 1.00 0.00 O +ATOM 1877 H1 TIP3A 626 11.969 27.413 22.236 1.00 0.00 H +ATOM 1878 H2 TIP3A 626 12.199 26.143 21.445 1.00 0.00 H +ATOM 1879 O1 TIP3A 627 32.243 42.349 25.661 1.00 0.00 O +ATOM 1880 H1 TIP3A 627 32.476 43.270 25.546 1.00 0.00 H +ATOM 1881 H2 TIP3A 627 31.628 42.346 26.395 1.00 0.00 H +ATOM 1882 O1 TIP3A 628 52.422 51.346 45.076 1.00 0.00 O +ATOM 1883 H1 TIP3A 628 52.814 51.671 44.266 1.00 0.00 H +ATOM 1884 H2 TIP3A 628 51.773 50.703 44.788 1.00 0.00 H +ATOM 1885 O1 TIP3A 629 32.442 15.791 23.688 1.00 0.00 O +ATOM 1886 H1 TIP3A 629 32.990 16.389 24.194 1.00 0.00 H +ATOM 1887 H2 TIP3A 629 31.628 15.729 24.188 1.00 0.00 H +ATOM 1888 O1 TIP3A 630 16.728 4.118 39.726 1.00 0.00 O +ATOM 1889 H1 TIP3A 630 16.373 3.370 39.247 1.00 0.00 H +ATOM 1890 H2 TIP3A 630 16.041 4.784 39.674 1.00 0.00 H +ATOM 1891 O1 TIP3A 631 17.761 40.748 3.188 1.00 0.00 O +ATOM 1892 H1 TIP3A 631 18.149 40.629 2.321 1.00 0.00 H +ATOM 1893 H2 TIP3A 631 17.327 39.915 3.373 1.00 0.00 H +ATOM 1894 O1 TIP3A 632 44.005 18.098 39.554 1.00 0.00 O +ATOM 1895 H1 TIP3A 632 43.507 18.550 40.234 1.00 0.00 H +ATOM 1896 H2 TIP3A 632 43.387 17.468 39.182 1.00 0.00 H +ATOM 1897 O1 TIP3A 633 11.501 32.788 37.688 1.00 0.00 O +ATOM 1898 H1 TIP3A 633 11.439 32.574 38.618 1.00 0.00 H +ATOM 1899 H2 TIP3A 633 12.442 32.832 37.514 1.00 0.00 H +ATOM 1900 O1 TIP3A 634 38.032 3.857 42.720 1.00 0.00 O +ATOM 1901 H1 TIP3A 634 37.623 4.173 43.525 1.00 0.00 H +ATOM 1902 H2 TIP3A 634 38.675 3.211 43.015 1.00 0.00 H +ATOM 1903 O1 TIP3A 635 12.661 47.570 31.764 1.00 0.00 O +ATOM 1904 H1 TIP3A 635 13.089 47.800 30.940 1.00 0.00 H +ATOM 1905 H2 TIP3A 635 12.231 46.733 31.586 1.00 0.00 H +ATOM 1906 O1 TIP3A 636 45.758 12.393 28.777 1.00 0.00 O +ATOM 1907 H1 TIP3A 636 46.615 12.492 29.191 1.00 0.00 H +ATOM 1908 H2 TIP3A 636 45.139 12.383 29.508 1.00 0.00 H +ATOM 1909 O1 TIP3A 637 23.385 34.086 25.318 1.00 0.00 O +ATOM 1910 H1 TIP3A 637 23.332 35.033 25.189 1.00 0.00 H +ATOM 1911 H2 TIP3A 637 22.642 33.879 25.886 1.00 0.00 H +ATOM 1912 O1 TIP3A 638 6.567 35.772 35.000 1.00 0.00 O +ATOM 1913 H1 TIP3A 638 7.504 35.966 35.006 1.00 0.00 H +ATOM 1914 H2 TIP3A 638 6.175 36.465 35.532 1.00 0.00 H +ATOM 1915 O1 TIP3A 639 0.198 52.578 53.052 1.00 0.00 O +ATOM 1916 H1 TIP3A 639 1.144 52.550 52.911 1.00 0.00 H +ATOM 1917 H2 TIP3A 639 -0.005 53.511 53.131 1.00 0.00 H +ATOM 1918 O1 TIP3A 640 39.706 34.774 36.263 1.00 0.00 O +ATOM 1919 H1 TIP3A 640 39.530 35.680 36.515 1.00 0.00 H +ATOM 1920 H2 TIP3A 640 40.536 34.814 35.787 1.00 0.00 H +ATOM 1921 O1 TIP3A 641 32.688 13.204 2.195 1.00 0.00 O +ATOM 1922 H1 TIP3A 641 32.355 14.021 2.564 1.00 0.00 H +ATOM 1923 H2 TIP3A 641 32.612 12.570 2.908 1.00 0.00 H +ATOM 1924 O1 TIP3A 642 52.278 50.885 2.600 1.00 0.00 O +ATOM 1925 H1 TIP3A 642 52.509 50.093 2.116 1.00 0.00 H +ATOM 1926 H2 TIP3A 642 51.676 51.353 2.020 1.00 0.00 H +ATOM 1927 O1 TIP3A 643 -0.029 55.531 34.783 1.00 0.00 O +ATOM 1928 H1 TIP3A 643 0.286 55.488 35.685 1.00 0.00 H +ATOM 1929 H2 TIP3A 643 0.744 55.341 34.250 1.00 0.00 H +ATOM 1930 O1 TIP3A 644 22.842 41.067 25.011 1.00 0.00 O +ATOM 1931 H1 TIP3A 644 23.644 40.546 25.003 1.00 0.00 H +ATOM 1932 H2 TIP3A 644 23.143 41.974 24.945 1.00 0.00 H +ATOM 1933 O1 TIP3A 645 17.578 42.783 7.081 1.00 0.00 O +ATOM 1934 H1 TIP3A 645 17.114 42.095 7.557 1.00 0.00 H +ATOM 1935 H2 TIP3A 645 16.983 43.027 6.371 1.00 0.00 H +ATOM 1936 O1 TIP3A 646 28.379 28.599 45.067 1.00 0.00 O +ATOM 1937 H1 TIP3A 646 28.768 27.894 44.551 1.00 0.00 H +ATOM 1938 H2 TIP3A 646 27.434 28.467 44.981 1.00 0.00 H +ATOM 1939 O1 TIP3A 647 37.554 13.032 52.590 1.00 0.00 O +ATOM 1940 H1 TIP3A 647 38.139 12.308 52.811 1.00 0.00 H +ATOM 1941 H2 TIP3A 647 37.310 13.410 53.436 1.00 0.00 H +ATOM 1942 O1 TIP3A 648 8.110 4.452 37.351 1.00 0.00 O +ATOM 1943 H1 TIP3A 648 7.217 4.109 37.322 1.00 0.00 H +ATOM 1944 H2 TIP3A 648 8.290 4.730 36.453 1.00 0.00 H +ATOM 1945 O1 TIP3A 649 7.508 45.615 54.445 1.00 0.00 O +ATOM 1946 H1 TIP3A 649 7.139 44.785 54.745 1.00 0.00 H +ATOM 1947 H2 TIP3A 649 8.456 45.482 54.476 1.00 0.00 H +ATOM 1948 O1 TIP3A 650 21.059 22.623 15.617 1.00 0.00 O +ATOM 1949 H1 TIP3A 650 21.656 23.041 14.997 1.00 0.00 H +ATOM 1950 H2 TIP3A 650 21.584 22.495 16.407 1.00 0.00 H +ATOM 1951 O1 TIP3A 651 57.995 33.977 17.977 1.00 0.00 O +ATOM 1952 H1 TIP3A 651 57.970 33.253 18.602 1.00 0.00 H +ATOM 1953 H2 TIP3A 651 57.606 33.618 17.179 1.00 0.00 H +ATOM 1954 O1 TIP3A 652 14.283 28.165 1.324 1.00 0.00 O +ATOM 1955 H1 TIP3A 652 15.232 28.107 1.423 1.00 0.00 H +ATOM 1956 H2 TIP3A 652 14.132 28.057 0.385 1.00 0.00 H +ATOM 1957 O1 TIP3A 653 9.998 49.005 24.590 1.00 0.00 O +ATOM 1958 H1 TIP3A 653 10.853 48.628 24.794 1.00 0.00 H +ATOM 1959 H2 TIP3A 653 9.371 48.317 24.816 1.00 0.00 H +ATOM 1960 O1 TIP3A 654 21.015 22.570 45.301 1.00 0.00 O +ATOM 1961 H1 TIP3A 654 21.503 22.390 46.104 1.00 0.00 H +ATOM 1962 H2 TIP3A 654 20.137 22.806 45.602 1.00 0.00 H +ATOM 1963 O1 TIP3A 655 48.945 3.781 31.914 1.00 0.00 O +ATOM 1964 H1 TIP3A 655 49.363 4.625 31.745 1.00 0.00 H +ATOM 1965 H2 TIP3A 655 49.634 3.135 31.751 1.00 0.00 H +ATOM 1966 O1 TIP3A 656 52.940 6.453 49.751 1.00 0.00 O +ATOM 1967 H1 TIP3A 656 53.000 5.803 49.052 1.00 0.00 H +ATOM 1968 H2 TIP3A 656 52.960 5.939 50.559 1.00 0.00 H +ATOM 1969 O1 TIP3A 657 52.668 10.632 29.353 1.00 0.00 O +ATOM 1970 H1 TIP3A 657 52.812 11.556 29.149 1.00 0.00 H +ATOM 1971 H2 TIP3A 657 53.543 10.243 29.332 1.00 0.00 H +ATOM 1972 O1 TIP3A 658 34.825 42.460 10.789 1.00 0.00 O +ATOM 1973 H1 TIP3A 658 34.071 43.030 10.646 1.00 0.00 H +ATOM 1974 H2 TIP3A 658 34.467 41.699 11.248 1.00 0.00 H +ATOM 1975 O1 TIP3A 659 15.684 41.994 21.918 1.00 0.00 O +ATOM 1976 H1 TIP3A 659 14.818 41.591 21.973 1.00 0.00 H +ATOM 1977 H2 TIP3A 659 16.185 41.585 22.624 1.00 0.00 H +ATOM 1978 O1 TIP3A 660 54.362 5.885 53.924 1.00 0.00 O +ATOM 1979 H1 TIP3A 660 54.501 5.008 54.281 1.00 0.00 H +ATOM 1980 H2 TIP3A 660 55.058 6.416 54.313 1.00 0.00 H +ATOM 1981 O1 TIP3A 661 4.932 28.961 37.209 1.00 0.00 O +ATOM 1982 H1 TIP3A 661 5.148 29.542 37.938 1.00 0.00 H +ATOM 1983 H2 TIP3A 661 4.142 28.501 37.494 1.00 0.00 H +ATOM 1984 O1 TIP3A 662 21.672 19.538 34.574 1.00 0.00 O +ATOM 1985 H1 TIP3A 662 20.765 19.745 34.797 1.00 0.00 H +ATOM 1986 H2 TIP3A 662 21.823 19.982 33.740 1.00 0.00 H +ATOM 1987 O1 TIP3A 663 38.051 16.360 39.864 1.00 0.00 O +ATOM 1988 H1 TIP3A 663 37.723 17.242 40.039 1.00 0.00 H +ATOM 1989 H2 TIP3A 663 38.186 15.978 40.732 1.00 0.00 H +ATOM 1990 O1 TIP3A 664 -0.018 52.846 24.274 1.00 0.00 O +ATOM 1991 H1 TIP3A 664 -0.007 52.052 23.741 1.00 0.00 H +ATOM 1992 H2 TIP3A 664 0.786 52.798 24.794 1.00 0.00 H +ATOM 1993 O1 TIP3A 665 47.556 49.528 56.607 1.00 0.00 O +ATOM 1994 H1 TIP3A 665 48.211 50.131 56.257 1.00 0.00 H +ATOM 1995 H2 TIP3A 665 48.048 48.733 56.814 1.00 0.00 H +ATOM 1996 O1 TIP3A 666 0.070 22.084 54.085 1.00 0.00 O +ATOM 1997 H1 TIP3A 666 0.537 21.905 53.269 1.00 0.00 H +ATOM 1998 H2 TIP3A 666 0.762 22.184 54.740 1.00 0.00 H +ATOM 1999 O1 TIP3A 667 57.774 10.904 24.022 1.00 0.00 O +ATOM 2000 H1 TIP3A 667 56.910 10.516 24.155 1.00 0.00 H +ATOM 2001 H2 TIP3A 667 57.929 10.828 23.080 1.00 0.00 H +ATOM 2002 O1 TIP3A 668 22.590 12.347 16.245 1.00 0.00 O +ATOM 2003 H1 TIP3A 668 21.659 12.126 16.248 1.00 0.00 H +ATOM 2004 H2 TIP3A 668 23.035 11.516 16.416 1.00 0.00 H +ATOM 2005 O1 TIP3A 669 43.643 49.307 39.698 1.00 0.00 O +ATOM 2006 H1 TIP3A 669 43.404 49.489 38.790 1.00 0.00 H +ATOM 2007 H2 TIP3A 669 44.597 49.392 39.717 1.00 0.00 H +ATOM 2008 O1 TIP3A 670 27.212 31.116 48.179 1.00 0.00 O +ATOM 2009 H1 TIP3A 670 26.955 30.242 48.472 1.00 0.00 H +ATOM 2010 H2 TIP3A 670 27.934 31.361 48.758 1.00 0.00 H +ATOM 2011 O1 TIP3A 671 23.365 11.951 31.941 1.00 0.00 O +ATOM 2012 H1 TIP3A 671 22.539 11.629 32.302 1.00 0.00 H +ATOM 2013 H2 TIP3A 671 23.237 11.930 30.992 1.00 0.00 H +ATOM 2014 O1 TIP3A 672 3.991 44.777 30.446 1.00 0.00 O +ATOM 2015 H1 TIP3A 672 3.758 44.414 31.300 1.00 0.00 H +ATOM 2016 H2 TIP3A 672 4.879 44.459 30.284 1.00 0.00 H +ATOM 2017 O1 TIP3A 673 23.740 50.927 6.405 1.00 0.00 O +ATOM 2018 H1 TIP3A 673 23.536 50.019 6.626 1.00 0.00 H +ATOM 2019 H2 TIP3A 673 23.334 51.063 5.549 1.00 0.00 H +ATOM 2020 O1 TIP3A 674 2.729 46.890 38.672 1.00 0.00 O +ATOM 2021 H1 TIP3A 674 3.632 46.665 38.891 1.00 0.00 H +ATOM 2022 H2 TIP3A 674 2.541 46.384 37.880 1.00 0.00 H +ATOM 2023 O1 TIP3A 675 42.708 29.653 3.209 1.00 0.00 O +ATOM 2024 H1 TIP3A 675 43.587 29.295 3.327 1.00 0.00 H +ATOM 2025 H2 TIP3A 675 42.850 30.583 3.026 1.00 0.00 H +ATOM 2026 O1 TIP3A 676 52.276 14.890 18.946 1.00 0.00 O +ATOM 2027 H1 TIP3A 676 51.680 14.513 18.301 1.00 0.00 H +ATOM 2028 H2 TIP3A 676 52.967 14.234 19.047 1.00 0.00 H +ATOM 2029 O1 TIP3A 677 11.433 12.265 52.704 1.00 0.00 O +ATOM 2030 H1 TIP3A 677 11.386 11.426 52.248 1.00 0.00 H +ATOM 2031 H2 TIP3A 677 11.666 12.037 53.604 1.00 0.00 H +ATOM 2032 O1 TIP3A 678 11.636 8.497 19.068 1.00 0.00 O +ATOM 2033 H1 TIP3A 678 11.932 7.753 18.544 1.00 0.00 H +ATOM 2034 H2 TIP3A 678 10.683 8.401 19.104 1.00 0.00 H +ATOM 2035 O1 TIP3A 679 13.304 57.448 36.337 1.00 0.00 O +ATOM 2036 H1 TIP3A 679 14.080 58.001 36.256 1.00 0.00 H +ATOM 2037 H2 TIP3A 679 12.661 58.001 36.782 1.00 0.00 H +ATOM 2038 O1 TIP3A 680 11.971 22.560 48.359 1.00 0.00 O +ATOM 2039 H1 TIP3A 680 11.516 21.738 48.536 1.00 0.00 H +ATOM 2040 H2 TIP3A 680 12.528 22.697 49.125 1.00 0.00 H +ATOM 2041 O1 TIP3A 681 38.200 9.730 28.019 1.00 0.00 O +ATOM 2042 H1 TIP3A 681 37.899 10.570 27.677 1.00 0.00 H +ATOM 2043 H2 TIP3A 681 38.305 9.178 27.243 1.00 0.00 H +ATOM 2044 O1 TIP3A 682 25.549 24.219 12.045 1.00 0.00 O +ATOM 2045 H1 TIP3A 682 26.173 24.765 12.522 1.00 0.00 H +ATOM 2046 H2 TIP3A 682 25.601 24.528 11.140 1.00 0.00 H +ATOM 2047 O1 TIP3A 683 17.694 29.296 5.931 1.00 0.00 O +ATOM 2048 H1 TIP3A 683 16.815 29.193 6.293 1.00 0.00 H +ATOM 2049 H2 TIP3A 683 17.786 30.238 5.787 1.00 0.00 H +ATOM 2050 O1 TIP3A 684 41.352 43.991 27.026 1.00 0.00 O +ATOM 2051 H1 TIP3A 684 41.794 44.087 27.869 1.00 0.00 H +ATOM 2052 H2 TIP3A 684 41.884 43.356 26.546 1.00 0.00 H +ATOM 2053 O1 TIP3A 685 15.703 0.611 3.891 1.00 0.00 O +ATOM 2054 H1 TIP3A 685 15.503 0.640 4.826 1.00 0.00 H +ATOM 2055 H2 TIP3A 685 16.437 -0.000 3.821 1.00 0.00 H +ATOM 2056 O1 TIP3A 686 25.957 51.342 41.115 1.00 0.00 O +ATOM 2057 H1 TIP3A 686 26.244 50.442 41.265 1.00 0.00 H +ATOM 2058 H2 TIP3A 686 25.334 51.278 40.390 1.00 0.00 H +ATOM 2059 O1 TIP3A 687 26.420 48.414 46.660 1.00 0.00 O +ATOM 2060 H1 TIP3A 687 26.789 49.289 46.549 1.00 0.00 H +ATOM 2061 H2 TIP3A 687 25.482 48.563 46.788 1.00 0.00 H +ATOM 2062 O1 TIP3A 688 33.582 8.963 20.839 1.00 0.00 O +ATOM 2063 H1 TIP3A 688 32.736 8.528 20.944 1.00 0.00 H +ATOM 2064 H2 TIP3A 688 33.791 9.296 21.712 1.00 0.00 H +ATOM 2065 O1 TIP3A 689 24.141 15.615 50.935 1.00 0.00 O +ATOM 2066 H1 TIP3A 689 25.083 15.777 50.888 1.00 0.00 H +ATOM 2067 H2 TIP3A 689 23.979 14.945 50.270 1.00 0.00 H +ATOM 2068 O1 TIP3A 690 25.610 38.012 22.042 1.00 0.00 O +ATOM 2069 H1 TIP3A 690 24.886 38.132 21.428 1.00 0.00 H +ATOM 2070 H2 TIP3A 690 26.339 37.715 21.497 1.00 0.00 H +ATOM 2071 O1 TIP3A 691 46.040 53.622 48.138 1.00 0.00 O +ATOM 2072 H1 TIP3A 691 45.967 52.731 47.797 1.00 0.00 H +ATOM 2073 H2 TIP3A 691 45.331 54.102 47.708 1.00 0.00 H +ATOM 2074 O1 TIP3A 692 33.055 20.309 17.779 1.00 0.00 O +ATOM 2075 H1 TIP3A 692 33.782 20.084 17.200 1.00 0.00 H +ATOM 2076 H2 TIP3A 692 33.435 20.298 18.658 1.00 0.00 H +ATOM 2077 O1 TIP3A 693 12.121 19.969 23.136 1.00 0.00 O +ATOM 2078 H1 TIP3A 693 11.500 19.309 22.832 1.00 0.00 H +ATOM 2079 H2 TIP3A 693 11.902 20.754 22.633 1.00 0.00 H +ATOM 2080 O1 TIP3A 694 51.397 40.738 25.053 1.00 0.00 O +ATOM 2081 H1 TIP3A 694 51.300 40.138 25.792 1.00 0.00 H +ATOM 2082 H2 TIP3A 694 50.555 41.190 24.998 1.00 0.00 H +ATOM 2083 O1 TIP3A 695 19.621 38.817 56.797 1.00 0.00 O +ATOM 2084 H1 TIP3A 695 20.510 38.552 56.565 1.00 0.00 H +ATOM 2085 H2 TIP3A 695 19.738 39.497 57.462 1.00 0.00 H +ATOM 2086 O1 TIP3A 696 0.731 29.707 44.327 1.00 0.00 O +ATOM 2087 H1 TIP3A 696 0.023 29.072 44.428 1.00 0.00 H +ATOM 2088 H2 TIP3A 696 1.315 29.535 45.066 1.00 0.00 H +ATOM 2089 O1 TIP3A 697 53.420 12.954 43.369 1.00 0.00 O +ATOM 2090 H1 TIP3A 697 52.993 12.505 42.640 1.00 0.00 H +ATOM 2091 H2 TIP3A 697 53.675 13.805 43.011 1.00 0.00 H +ATOM 2092 O1 TIP3A 698 20.566 11.417 47.203 1.00 0.00 O +ATOM 2093 H1 TIP3A 698 20.894 12.315 47.215 1.00 0.00 H +ATOM 2094 H2 TIP3A 698 20.794 11.090 46.332 1.00 0.00 H +ATOM 2095 O1 TIP3A 699 34.242 31.168 34.296 1.00 0.00 O +ATOM 2096 H1 TIP3A 699 34.138 31.999 33.834 1.00 0.00 H +ATOM 2097 H2 TIP3A 699 34.951 30.722 33.832 1.00 0.00 H +ATOM 2098 O1 TIP3A 700 48.834 34.405 38.549 1.00 0.00 O +ATOM 2099 H1 TIP3A 700 49.134 33.561 38.886 1.00 0.00 H +ATOM 2100 H2 TIP3A 700 49.419 34.592 37.815 1.00 0.00 H +ATOM 2101 O1 TIP3A 701 54.172 55.671 23.910 1.00 0.00 O +ATOM 2102 H1 TIP3A 701 54.198 55.941 24.828 1.00 0.00 H +ATOM 2103 H2 TIP3A 701 54.935 55.102 23.806 1.00 0.00 H +ATOM 2104 O1 TIP3A 702 27.184 46.159 14.325 1.00 0.00 O +ATOM 2105 H1 TIP3A 702 27.390 46.149 13.391 1.00 0.00 H +ATOM 2106 H2 TIP3A 702 27.444 45.292 14.638 1.00 0.00 H +ATOM 2107 O1 TIP3A 703 25.969 57.469 21.643 1.00 0.00 O +ATOM 2108 H1 TIP3A 703 26.124 56.616 22.046 1.00 0.00 H +ATOM 2109 H2 TIP3A 703 26.720 58.000 21.909 1.00 0.00 H +ATOM 2110 O1 TIP3A 704 20.738 23.754 20.573 1.00 0.00 O +ATOM 2111 H1 TIP3A 704 20.999 23.548 21.470 1.00 0.00 H +ATOM 2112 H2 TIP3A 704 21.387 23.311 20.026 1.00 0.00 H +ATOM 2113 O1 TIP3A 705 13.906 5.272 30.349 1.00 0.00 O +ATOM 2114 H1 TIP3A 705 14.494 5.299 29.596 1.00 0.00 H +ATOM 2115 H2 TIP3A 705 13.751 4.340 30.501 1.00 0.00 H +ATOM 2116 O1 TIP3A 706 49.512 10.059 50.857 1.00 0.00 O +ATOM 2117 H1 TIP3A 706 49.269 10.227 49.947 1.00 0.00 H +ATOM 2118 H2 TIP3A 706 49.889 9.179 50.847 1.00 0.00 H +ATOM 2119 O1 TIP3A 707 16.237 49.227 15.936 1.00 0.00 O +ATOM 2120 H1 TIP3A 707 16.171 49.708 15.113 1.00 0.00 H +ATOM 2121 H2 TIP3A 707 16.372 49.904 16.600 1.00 0.00 H +ATOM 2122 O1 TIP3A 708 1.048 33.411 23.553 1.00 0.00 O +ATOM 2123 H1 TIP3A 708 0.949 33.416 22.601 1.00 0.00 H +ATOM 2124 H2 TIP3A 708 1.100 34.337 23.794 1.00 0.00 H +ATOM 2125 O1 TIP3A 709 30.425 22.364 41.613 1.00 0.00 O +ATOM 2126 H1 TIP3A 709 31.091 22.964 41.948 1.00 0.00 H +ATOM 2127 H2 TIP3A 709 29.716 22.409 42.255 1.00 0.00 H +ATOM 2128 O1 TIP3A 710 29.700 55.874 49.699 1.00 0.00 O +ATOM 2129 H1 TIP3A 710 30.269 56.630 49.842 1.00 0.00 H +ATOM 2130 H2 TIP3A 710 28.812 56.229 49.753 1.00 0.00 H +ATOM 2131 O1 TIP3A 711 8.246 51.170 26.185 1.00 0.00 O +ATOM 2132 H1 TIP3A 711 7.903 51.329 25.306 1.00 0.00 H +ATOM 2133 H2 TIP3A 711 7.582 51.534 26.771 1.00 0.00 H +ATOM 2134 O1 TIP3A 712 54.902 8.496 0.718 1.00 0.00 O +ATOM 2135 H1 TIP3A 712 55.587 7.843 0.860 1.00 0.00 H +ATOM 2136 H2 TIP3A 712 54.378 8.140 -0.000 1.00 0.00 H +ATOM 2137 O1 TIP3A 713 2.633 49.072 0.917 1.00 0.00 O +ATOM 2138 H1 TIP3A 713 2.448 48.869 0.001 1.00 0.00 H +ATOM 2139 H2 TIP3A 713 3.588 49.115 0.966 1.00 0.00 H +ATOM 2140 O1 TIP3A 714 56.121 27.731 17.938 1.00 0.00 O +ATOM 2141 H1 TIP3A 714 57.046 27.972 17.896 1.00 0.00 H +ATOM 2142 H2 TIP3A 714 55.723 28.399 18.497 1.00 0.00 H +ATOM 2143 O1 TIP3A 715 10.998 48.008 46.871 1.00 0.00 O +ATOM 2144 H1 TIP3A 715 11.486 47.872 47.683 1.00 0.00 H +ATOM 2145 H2 TIP3A 715 10.604 48.875 46.970 1.00 0.00 H +ATOM 2146 O1 TIP3A 716 37.955 41.045 29.196 1.00 0.00 O +ATOM 2147 H1 TIP3A 716 37.060 41.325 29.386 1.00 0.00 H +ATOM 2148 H2 TIP3A 716 37.890 40.585 28.359 1.00 0.00 H +ATOM 2149 O1 TIP3A 717 23.834 55.350 19.972 1.00 0.00 O +ATOM 2150 H1 TIP3A 717 24.487 56.049 19.941 1.00 0.00 H +ATOM 2151 H2 TIP3A 717 23.983 54.847 19.171 1.00 0.00 H +ATOM 2152 O1 TIP3A 718 3.913 51.645 14.080 1.00 0.00 O +ATOM 2153 H1 TIP3A 718 3.766 51.357 13.180 1.00 0.00 H +ATOM 2154 H2 TIP3A 718 3.885 50.840 14.598 1.00 0.00 H +ATOM 2155 O1 TIP3A 719 2.186 8.025 9.494 1.00 0.00 O +ATOM 2156 H1 TIP3A 719 3.141 7.969 9.468 1.00 0.00 H +ATOM 2157 H2 TIP3A 719 1.890 7.383 8.848 1.00 0.00 H +ATOM 2158 O1 TIP3A 720 38.962 5.773 39.752 1.00 0.00 O +ATOM 2159 H1 TIP3A 720 38.944 6.618 39.304 1.00 0.00 H +ATOM 2160 H2 TIP3A 720 38.949 5.126 39.046 1.00 0.00 H +ATOM 2161 O1 TIP3A 721 56.140 17.009 14.294 1.00 0.00 O +ATOM 2162 H1 TIP3A 721 56.989 16.648 14.042 1.00 0.00 H +ATOM 2163 H2 TIP3A 721 56.188 17.093 15.247 1.00 0.00 H +ATOM 2164 O1 TIP3A 722 42.324 7.365 52.328 1.00 0.00 O +ATOM 2165 H1 TIP3A 722 42.843 8.092 52.670 1.00 0.00 H +ATOM 2166 H2 TIP3A 722 42.131 6.825 53.095 1.00 0.00 H +ATOM 2167 O1 TIP3A 723 13.902 26.811 26.497 1.00 0.00 O +ATOM 2168 H1 TIP3A 723 13.950 25.861 26.602 1.00 0.00 H +ATOM 2169 H2 TIP3A 723 13.339 26.940 25.734 1.00 0.00 H +ATOM 2170 O1 TIP3A 724 24.108 51.290 31.438 1.00 0.00 O +ATOM 2171 H1 TIP3A 724 23.997 51.360 32.386 1.00 0.00 H +ATOM 2172 H2 TIP3A 724 23.294 50.891 31.130 1.00 0.00 H +ATOM 2173 O1 TIP3A 725 41.146 10.488 27.470 1.00 0.00 O +ATOM 2174 H1 TIP3A 725 40.645 10.207 26.705 1.00 0.00 H +ATOM 2175 H2 TIP3A 725 40.736 10.032 28.206 1.00 0.00 H +ATOM 2176 O1 TIP3A 726 46.400 35.649 6.784 1.00 0.00 O +ATOM 2177 H1 TIP3A 726 46.815 36.497 6.941 1.00 0.00 H +ATOM 2178 H2 TIP3A 726 45.590 35.680 7.295 1.00 0.00 H +ATOM 2179 O1 TIP3A 727 27.657 54.333 34.154 1.00 0.00 O +ATOM 2180 H1 TIP3A 727 27.898 55.150 33.719 1.00 0.00 H +ATOM 2181 H2 TIP3A 727 27.984 53.646 33.572 1.00 0.00 H +ATOM 2182 O1 TIP3A 728 40.693 21.668 1.235 1.00 0.00 O +ATOM 2183 H1 TIP3A 728 41.370 21.065 1.542 1.00 0.00 H +ATOM 2184 H2 TIP3A 728 40.127 21.803 1.995 1.00 0.00 H +ATOM 2185 O1 TIP3A 729 23.198 45.501 50.089 1.00 0.00 O +ATOM 2186 H1 TIP3A 729 23.247 44.654 50.531 1.00 0.00 H +ATOM 2187 H2 TIP3A 729 24.077 45.870 50.178 1.00 0.00 H +ATOM 2188 O1 TIP3A 730 18.299 9.443 28.371 1.00 0.00 O +ATOM 2189 H1 TIP3A 730 18.722 9.557 29.221 1.00 0.00 H +ATOM 2190 H2 TIP3A 730 18.932 9.785 27.739 1.00 0.00 H +ATOM 2191 O1 TIP3A 731 30.228 42.395 6.854 1.00 0.00 O +ATOM 2192 H1 TIP3A 731 30.231 42.657 7.774 1.00 0.00 H +ATOM 2193 H2 TIP3A 731 31.144 42.200 6.657 1.00 0.00 H +ATOM 2194 O1 TIP3A 732 6.877 32.528 15.525 1.00 0.00 O +ATOM 2195 H1 TIP3A 732 7.052 33.450 15.713 1.00 0.00 H +ATOM 2196 H2 TIP3A 732 5.958 32.405 15.766 1.00 0.00 H +ATOM 2197 O1 TIP3A 733 20.103 13.502 3.331 1.00 0.00 O +ATOM 2198 H1 TIP3A 733 20.241 13.335 2.399 1.00 0.00 H +ATOM 2199 H2 TIP3A 733 20.983 13.640 3.683 1.00 0.00 H +ATOM 2200 O1 TIP3A 734 41.513 51.480 7.357 1.00 0.00 O +ATOM 2201 H1 TIP3A 734 41.767 50.695 6.873 1.00 0.00 H +ATOM 2202 H2 TIP3A 734 40.764 51.828 6.873 1.00 0.00 H +ATOM 2203 O1 TIP3A 735 35.735 15.235 41.267 1.00 0.00 O +ATOM 2204 H1 TIP3A 735 36.286 14.485 41.045 1.00 0.00 H +ATOM 2205 H2 TIP3A 735 36.217 15.692 41.957 1.00 0.00 H +ATOM 2206 O1 TIP3A 736 4.924 56.903 40.739 1.00 0.00 O +ATOM 2207 H1 TIP3A 736 5.092 55.990 40.970 1.00 0.00 H +ATOM 2208 H2 TIP3A 736 4.385 56.856 39.949 1.00 0.00 H +ATOM 2209 O1 TIP3A 737 17.376 2.229 4.349 1.00 0.00 O +ATOM 2210 H1 TIP3A 737 17.052 2.220 5.249 1.00 0.00 H +ATOM 2211 H2 TIP3A 737 17.982 1.489 4.304 1.00 0.00 H +ATOM 2212 O1 TIP3A 738 9.127 12.640 1.451 1.00 0.00 O +ATOM 2213 H1 TIP3A 738 8.505 12.823 2.154 1.00 0.00 H +ATOM 2214 H2 TIP3A 738 8.663 12.038 0.869 1.00 0.00 H +ATOM 2215 O1 TIP3A 739 19.786 15.501 55.352 1.00 0.00 O +ATOM 2216 H1 TIP3A 739 19.137 15.691 54.676 1.00 0.00 H +ATOM 2217 H2 TIP3A 739 19.295 15.042 56.035 1.00 0.00 H +ATOM 2218 O1 TIP3A 740 35.349 15.415 47.164 1.00 0.00 O +ATOM 2219 H1 TIP3A 740 35.313 14.739 46.488 1.00 0.00 H +ATOM 2220 H2 TIP3A 740 34.514 15.878 47.084 1.00 0.00 H +ATOM 2221 O1 TIP3A 741 22.926 30.030 37.820 1.00 0.00 O +ATOM 2222 H1 TIP3A 741 22.466 29.438 38.412 1.00 0.00 H +ATOM 2223 H2 TIP3A 741 22.263 30.668 37.553 1.00 0.00 H +ATOM 2224 O1 TIP3A 742 24.819 15.708 35.287 1.00 0.00 O +ATOM 2225 H1 TIP3A 742 24.868 14.757 35.377 1.00 0.00 H +ATOM 2226 H2 TIP3A 742 24.102 15.854 34.669 1.00 0.00 H +ATOM 2227 O1 TIP3A 743 56.629 40.752 40.353 1.00 0.00 O +ATOM 2228 H1 TIP3A 743 56.366 41.643 40.123 1.00 0.00 H +ATOM 2229 H2 TIP3A 743 57.585 40.784 40.384 1.00 0.00 H +ATOM 2230 O1 TIP3A 744 50.806 33.543 35.456 1.00 0.00 O +ATOM 2231 H1 TIP3A 744 50.981 34.329 34.939 1.00 0.00 H +ATOM 2232 H2 TIP3A 744 51.255 32.841 34.984 1.00 0.00 H +ATOM 2233 O1 TIP3A 745 34.466 35.103 21.486 1.00 0.00 O +ATOM 2234 H1 TIP3A 745 33.519 34.968 21.492 1.00 0.00 H +ATOM 2235 H2 TIP3A 745 34.600 35.842 20.891 1.00 0.00 H +ATOM 2236 O1 TIP3A 746 44.379 29.292 7.703 1.00 0.00 O +ATOM 2237 H1 TIP3A 746 45.124 28.872 8.133 1.00 0.00 H +ATOM 2238 H2 TIP3A 746 44.534 29.157 6.768 1.00 0.00 H +ATOM 2239 O1 TIP3A 747 30.186 4.430 44.606 1.00 0.00 O +ATOM 2240 H1 TIP3A 747 30.861 3.754 44.648 1.00 0.00 H +ATOM 2241 H2 TIP3A 747 29.537 4.162 45.257 1.00 0.00 H +ATOM 2242 O1 TIP3A 748 17.886 41.231 37.395 1.00 0.00 O +ATOM 2243 H1 TIP3A 748 18.346 40.800 38.115 1.00 0.00 H +ATOM 2244 H2 TIP3A 748 18.114 40.715 36.621 1.00 0.00 H +ATOM 2245 O1 TIP3A 749 2.622 53.456 23.816 1.00 0.00 O +ATOM 2246 H1 TIP3A 749 2.649 53.894 24.666 1.00 0.00 H +ATOM 2247 H2 TIP3A 749 2.790 54.153 23.181 1.00 0.00 H +ATOM 2248 O1 TIP3A 750 33.147 16.091 18.297 1.00 0.00 O +ATOM 2249 H1 TIP3A 750 33.949 15.571 18.323 1.00 0.00 H +ATOM 2250 H2 TIP3A 750 32.517 15.537 17.835 1.00 0.00 H +ATOM 2251 O1 TIP3A 751 24.557 50.293 9.517 1.00 0.00 O +ATOM 2252 H1 TIP3A 751 25.264 49.714 9.799 1.00 0.00 H +ATOM 2253 H2 TIP3A 751 24.979 50.915 8.923 1.00 0.00 H +ATOM 2254 O1 TIP3A 752 4.095 41.951 43.944 1.00 0.00 O +ATOM 2255 H1 TIP3A 752 4.415 41.642 44.791 1.00 0.00 H +ATOM 2256 H2 TIP3A 752 4.015 42.899 44.049 1.00 0.00 H +ATOM 2257 O1 TIP3A 753 55.509 28.205 36.846 1.00 0.00 O +ATOM 2258 H1 TIP3A 753 55.596 29.156 36.790 1.00 0.00 H +ATOM 2259 H2 TIP3A 753 54.572 28.057 36.977 1.00 0.00 H +ATOM 2260 O1 TIP3A 754 22.985 53.611 34.951 1.00 0.00 O +ATOM 2261 H1 TIP3A 754 23.354 52.906 34.421 1.00 0.00 H +ATOM 2262 H2 TIP3A 754 22.098 53.314 35.161 1.00 0.00 H +ATOM 2263 O1 TIP3A 755 28.828 32.008 7.054 1.00 0.00 O +ATOM 2264 H1 TIP3A 755 28.578 31.161 6.687 1.00 0.00 H +ATOM 2265 H2 TIP3A 755 28.261 32.639 6.610 1.00 0.00 H +ATOM 2266 O1 TIP3A 756 52.944 9.145 41.206 1.00 0.00 O +ATOM 2267 H1 TIP3A 756 52.192 8.572 41.058 1.00 0.00 H +ATOM 2268 H2 TIP3A 756 53.137 9.053 42.139 1.00 0.00 H +ATOM 2269 O1 TIP3A 757 36.989 22.191 44.311 1.00 0.00 O +ATOM 2270 H1 TIP3A 757 37.507 22.053 45.104 1.00 0.00 H +ATOM 2271 H2 TIP3A 757 36.115 22.419 44.632 1.00 0.00 H +ATOM 2272 O1 TIP3A 758 20.429 33.670 48.556 1.00 0.00 O +ATOM 2273 H1 TIP3A 758 19.657 33.147 48.343 1.00 0.00 H +ATOM 2274 H2 TIP3A 758 20.991 33.077 49.056 1.00 0.00 H +ATOM 2275 O1 TIP3A 759 0.008 25.402 28.045 1.00 0.00 O +ATOM 2276 H1 TIP3A 759 0.462 25.611 28.861 1.00 0.00 H +ATOM 2277 H2 TIP3A 759 0.496 25.875 27.370 1.00 0.00 H +ATOM 2278 O1 TIP3A 760 6.851 6.579 28.584 1.00 0.00 O +ATOM 2279 H1 TIP3A 760 7.660 6.078 28.679 1.00 0.00 H +ATOM 2280 H2 TIP3A 760 6.157 5.963 28.821 1.00 0.00 H +ATOM 2281 O1 TIP3A 761 17.494 12.983 8.618 1.00 0.00 O +ATOM 2282 H1 TIP3A 761 17.190 13.873 8.792 1.00 0.00 H +ATOM 2283 H2 TIP3A 761 18.116 13.079 7.896 1.00 0.00 H +ATOM 2284 O1 TIP3A 762 19.761 12.120 13.817 1.00 0.00 O +ATOM 2285 H1 TIP3A 762 19.831 12.202 12.866 1.00 0.00 H +ATOM 2286 H2 TIP3A 762 20.039 11.222 14.001 1.00 0.00 H +ATOM 2287 O1 TIP3A 763 32.970 21.622 11.708 1.00 0.00 O +ATOM 2288 H1 TIP3A 763 33.865 21.410 11.447 1.00 0.00 H +ATOM 2289 H2 TIP3A 763 32.437 20.922 11.329 1.00 0.00 H +ATOM 2290 O1 TIP3A 764 25.976 8.524 17.083 1.00 0.00 O +ATOM 2291 H1 TIP3A 764 25.978 7.567 17.065 1.00 0.00 H +ATOM 2292 H2 TIP3A 764 25.305 8.775 16.447 1.00 0.00 H +ATOM 2293 O1 TIP3A 765 8.267 38.482 38.029 1.00 0.00 O +ATOM 2294 H1 TIP3A 765 8.765 37.707 37.772 1.00 0.00 H +ATOM 2295 H2 TIP3A 765 7.855 38.783 37.218 1.00 0.00 H +ATOM 2296 O1 TIP3A 766 36.380 39.163 38.960 1.00 0.00 O +ATOM 2297 H1 TIP3A 766 36.143 39.907 39.513 1.00 0.00 H +ATOM 2298 H2 TIP3A 766 35.844 39.268 38.173 1.00 0.00 H +ATOM 2299 O1 TIP3A 767 33.151 2.301 17.004 1.00 0.00 O +ATOM 2300 H1 TIP3A 767 33.801 1.616 17.160 1.00 0.00 H +ATOM 2301 H2 TIP3A 767 32.536 1.910 16.382 1.00 0.00 H +ATOM 2302 O1 TIP3A 768 16.463 1.286 30.323 1.00 0.00 O +ATOM 2303 H1 TIP3A 768 16.871 0.593 30.840 1.00 0.00 H +ATOM 2304 H2 TIP3A 768 17.064 2.028 30.398 1.00 0.00 H +ATOM 2305 O1 TIP3A 769 14.238 22.818 6.096 1.00 0.00 O +ATOM 2306 H1 TIP3A 769 14.619 23.449 6.706 1.00 0.00 H +ATOM 2307 H2 TIP3A 769 13.869 22.134 6.657 1.00 0.00 H +ATOM 2308 O1 TIP3A 770 51.477 31.445 57.684 1.00 0.00 O +ATOM 2309 H1 TIP3A 770 51.045 32.244 57.982 1.00 0.00 H +ATOM 2310 H2 TIP3A 770 51.893 31.691 56.857 1.00 0.00 H +ATOM 2311 O1 TIP3A 771 4.115 15.134 7.864 1.00 0.00 O +ATOM 2312 H1 TIP3A 771 4.716 14.403 7.724 1.00 0.00 H +ATOM 2313 H2 TIP3A 771 4.673 15.912 7.841 1.00 0.00 H +ATOM 2314 O1 TIP3A 772 52.607 56.548 45.626 1.00 0.00 O +ATOM 2315 H1 TIP3A 772 52.409 56.594 44.692 1.00 0.00 H +ATOM 2316 H2 TIP3A 772 53.492 56.908 45.702 1.00 0.00 H +ATOM 2317 O1 TIP3A 773 23.466 3.481 14.991 1.00 0.00 O +ATOM 2318 H1 TIP3A 773 22.934 2.755 14.666 1.00 0.00 H +ATOM 2319 H2 TIP3A 773 24.040 3.705 14.257 1.00 0.00 H +ATOM 2320 O1 TIP3A 774 18.469 27.255 36.643 1.00 0.00 O +ATOM 2321 H1 TIP3A 774 18.430 28.210 36.663 1.00 0.00 H +ATOM 2322 H2 TIP3A 774 17.811 26.974 37.281 1.00 0.00 H +ATOM 2323 O1 TIP3A 775 47.273 46.960 42.029 1.00 0.00 O +ATOM 2324 H1 TIP3A 775 47.766 47.343 42.754 1.00 0.00 H +ATOM 2325 H2 TIP3A 775 47.855 46.288 41.671 1.00 0.00 H +ATOM 2326 O1 TIP3A 776 14.427 46.761 33.149 1.00 0.00 O +ATOM 2327 H1 TIP3A 776 15.262 46.326 33.319 1.00 0.00 H +ATOM 2328 H2 TIP3A 776 13.819 46.047 32.954 1.00 0.00 H +ATOM 2329 O1 TIP3A 777 14.564 11.897 45.790 1.00 0.00 O +ATOM 2330 H1 TIP3A 777 14.722 12.645 45.215 1.00 0.00 H +ATOM 2331 H2 TIP3A 777 14.693 11.132 45.230 1.00 0.00 H +ATOM 2332 O1 TIP3A 778 31.156 48.501 45.572 1.00 0.00 O +ATOM 2333 H1 TIP3A 778 31.678 48.195 44.831 1.00 0.00 H +ATOM 2334 H2 TIP3A 778 31.474 47.990 46.317 1.00 0.00 H +ATOM 2335 O1 TIP3A 779 4.001 28.466 31.846 1.00 0.00 O +ATOM 2336 H1 TIP3A 779 4.863 28.881 31.846 1.00 0.00 H +ATOM 2337 H2 TIP3A 779 3.515 28.921 32.534 1.00 0.00 H +ATOM 2338 O1 TIP3A 780 19.000 54.786 38.467 1.00 0.00 O +ATOM 2339 H1 TIP3A 780 19.090 53.842 38.597 1.00 0.00 H +ATOM 2340 H2 TIP3A 780 19.900 55.104 38.390 1.00 0.00 H +ATOM 2341 O1 TIP3A 781 28.988 27.833 39.482 1.00 0.00 O +ATOM 2342 H1 TIP3A 781 28.046 27.671 39.457 1.00 0.00 H +ATOM 2343 H2 TIP3A 781 29.162 28.362 38.703 1.00 0.00 H +ATOM 2344 O1 TIP3A 782 24.735 31.282 3.507 1.00 0.00 O +ATOM 2345 H1 TIP3A 782 25.467 31.700 3.959 1.00 0.00 H +ATOM 2346 H2 TIP3A 782 25.003 31.259 2.587 1.00 0.00 H +ATOM 2347 O1 TIP3A 783 29.703 28.973 48.259 1.00 0.00 O +ATOM 2348 H1 TIP3A 783 30.618 29.250 48.230 1.00 0.00 H +ATOM 2349 H2 TIP3A 783 29.644 28.271 47.611 1.00 0.00 H +ATOM 2350 O1 TIP3A 784 48.177 48.037 28.135 1.00 0.00 O +ATOM 2351 H1 TIP3A 784 48.431 48.796 28.659 1.00 0.00 H +ATOM 2352 H2 TIP3A 784 48.862 47.389 28.302 1.00 0.00 H +ATOM 2353 O1 TIP3A 785 52.556 0.913 12.986 1.00 0.00 O +ATOM 2354 H1 TIP3A 785 52.082 1.350 12.279 1.00 0.00 H +ATOM 2355 H2 TIP3A 785 52.161 0.042 13.038 1.00 0.00 H +ATOM 2356 O1 TIP3A 786 33.190 35.050 47.493 1.00 0.00 O +ATOM 2357 H1 TIP3A 786 32.511 35.703 47.328 1.00 0.00 H +ATOM 2358 H2 TIP3A 786 32.769 34.405 48.063 1.00 0.00 H +ATOM 2359 O1 TIP3A 787 4.430 19.121 56.900 1.00 0.00 O +ATOM 2360 H1 TIP3A 787 3.628 19.036 57.414 1.00 0.00 H +ATOM 2361 H2 TIP3A 787 4.153 19.552 56.091 1.00 0.00 H +ATOM 2362 O1 TIP3A 788 34.148 31.641 46.084 1.00 0.00 O +ATOM 2363 H1 TIP3A 788 34.596 30.887 45.702 1.00 0.00 H +ATOM 2364 H2 TIP3A 788 33.259 31.596 45.731 1.00 0.00 H +ATOM 2365 O1 TIP3A 789 49.859 13.428 1.813 1.00 0.00 O +ATOM 2366 H1 TIP3A 789 49.418 14.261 1.979 1.00 0.00 H +ATOM 2367 H2 TIP3A 789 49.393 12.796 2.362 1.00 0.00 H +ATOM 2368 O1 TIP3A 790 4.439 1.949 23.188 1.00 0.00 O +ATOM 2369 H1 TIP3A 790 4.246 1.723 24.097 1.00 0.00 H +ATOM 2370 H2 TIP3A 790 4.519 2.904 23.189 1.00 0.00 H +ATOM 2371 O1 TIP3A 791 25.024 3.682 57.991 1.00 0.00 O +ATOM 2372 H1 TIP3A 791 25.821 4.211 58.001 1.00 0.00 H +ATOM 2373 H2 TIP3A 791 25.249 2.920 57.456 1.00 0.00 H +ATOM 2374 O1 TIP3A 792 23.983 22.717 41.831 1.00 0.00 O +ATOM 2375 H1 TIP3A 792 23.669 23.403 41.242 1.00 0.00 H +ATOM 2376 H2 TIP3A 792 24.582 22.197 41.295 1.00 0.00 H +ATOM 2377 O1 TIP3A 793 39.648 54.353 30.427 1.00 0.00 O +ATOM 2378 H1 TIP3A 793 40.177 54.189 29.648 1.00 0.00 H +ATOM 2379 H2 TIP3A 793 39.585 53.501 30.859 1.00 0.00 H +ATOM 2380 O1 TIP3A 794 4.014 40.263 13.042 1.00 0.00 O +ATOM 2381 H1 TIP3A 794 4.900 39.902 13.030 1.00 0.00 H +ATOM 2382 H2 TIP3A 794 3.479 39.573 13.436 1.00 0.00 H +ATOM 2383 O1 TIP3A 795 12.256 43.471 49.840 1.00 0.00 O +ATOM 2384 H1 TIP3A 795 11.359 43.147 49.917 1.00 0.00 H +ATOM 2385 H2 TIP3A 795 12.803 42.706 50.024 1.00 0.00 H +ATOM 2386 O1 TIP3A 796 57.213 2.861 33.307 1.00 0.00 O +ATOM 2387 H1 TIP3A 796 56.456 2.674 32.753 1.00 0.00 H +ATOM 2388 H2 TIP3A 796 57.422 2.022 33.720 1.00 0.00 H +ATOM 2389 O1 TIP3A 797 15.299 6.094 15.100 1.00 0.00 O +ATOM 2390 H1 TIP3A 797 15.152 6.343 16.012 1.00 0.00 H +ATOM 2391 H2 TIP3A 797 14.936 6.819 14.592 1.00 0.00 H +ATOM 2392 O1 TIP3A 798 10.384 51.831 38.987 1.00 0.00 O +ATOM 2393 H1 TIP3A 798 9.928 52.623 39.269 1.00 0.00 H +ATOM 2394 H2 TIP3A 798 9.735 51.351 38.472 1.00 0.00 H +ATOM 2395 O1 TIP3A 799 13.086 56.445 10.928 1.00 0.00 O +ATOM 2396 H1 TIP3A 799 13.191 55.531 11.189 1.00 0.00 H +ATOM 2397 H2 TIP3A 799 13.005 56.415 9.974 1.00 0.00 H +ATOM 2398 O1 TIP3A 800 -0.001 25.783 5.769 1.00 0.00 O +ATOM 2399 H1 TIP3A 800 0.387 25.327 5.023 1.00 0.00 H +ATOM 2400 H2 TIP3A 800 0.110 25.178 6.503 1.00 0.00 H +ATOM 2401 O1 TIP3A 801 12.583 2.861 32.255 1.00 0.00 O +ATOM 2402 H1 TIP3A 801 13.223 3.506 32.554 1.00 0.00 H +ATOM 2403 H2 TIP3A 801 11.870 2.916 32.893 1.00 0.00 H +ATOM 2404 O1 TIP3A 802 27.122 34.259 44.405 1.00 0.00 O +ATOM 2405 H1 TIP3A 802 26.281 34.608 44.696 1.00 0.00 H +ATOM 2406 H2 TIP3A 802 27.209 34.563 43.501 1.00 0.00 H +ATOM 2407 O1 TIP3A 803 43.335 21.937 49.936 1.00 0.00 O +ATOM 2408 H1 TIP3A 803 44.231 22.144 50.200 1.00 0.00 H +ATOM 2409 H2 TIP3A 803 43.432 21.450 49.118 1.00 0.00 H +ATOM 2410 O1 TIP3A 804 30.929 39.221 45.002 1.00 0.00 O +ATOM 2411 H1 TIP3A 804 31.316 38.600 44.386 1.00 0.00 H +ATOM 2412 H2 TIP3A 804 31.675 39.572 45.490 1.00 0.00 H +ATOM 2413 O1 TIP3A 805 35.775 3.157 37.851 1.00 0.00 O +ATOM 2414 H1 TIP3A 805 36.016 2.458 38.458 1.00 0.00 H +ATOM 2415 H2 TIP3A 805 36.597 3.611 37.667 1.00 0.00 H +ATOM 2416 O1 TIP3A 806 6.330 29.014 42.167 1.00 0.00 O +ATOM 2417 H1 TIP3A 806 7.247 29.164 42.394 1.00 0.00 H +ATOM 2418 H2 TIP3A 806 6.173 29.581 41.411 1.00 0.00 H +ATOM 2419 O1 TIP3A 807 3.053 32.291 22.930 1.00 0.00 O +ATOM 2420 H1 TIP3A 807 3.212 31.397 22.629 1.00 0.00 H +ATOM 2421 H2 TIP3A 807 3.904 32.592 23.248 1.00 0.00 H +ATOM 2422 O1 TIP3A 808 35.451 55.695 39.832 1.00 0.00 O +ATOM 2423 H1 TIP3A 808 36.379 55.859 39.994 1.00 0.00 H +ATOM 2424 H2 TIP3A 808 35.440 54.930 39.256 1.00 0.00 H +ATOM 2425 O1 TIP3A 809 14.379 45.556 22.883 1.00 0.00 O +ATOM 2426 H1 TIP3A 809 14.358 46.109 22.103 1.00 0.00 H +ATOM 2427 H2 TIP3A 809 14.198 44.674 22.558 1.00 0.00 H +ATOM 2428 O1 TIP3A 810 30.139 10.117 25.293 1.00 0.00 O +ATOM 2429 H1 TIP3A 810 30.573 10.869 24.892 1.00 0.00 H +ATOM 2430 H2 TIP3A 810 29.280 10.081 24.870 1.00 0.00 H +ATOM 2431 O1 TIP3A 811 50.852 19.424 5.915 1.00 0.00 O +ATOM 2432 H1 TIP3A 811 50.589 19.887 6.709 1.00 0.00 H +ATOM 2433 H2 TIP3A 811 51.094 18.547 6.216 1.00 0.00 H +ATOM 2434 O1 TIP3A 812 37.105 38.695 13.704 1.00 0.00 O +ATOM 2435 H1 TIP3A 812 37.373 38.004 14.310 1.00 0.00 H +ATOM 2436 H2 TIP3A 812 36.390 38.308 13.199 1.00 0.00 H +ATOM 2437 O1 TIP3A 813 17.480 34.221 32.389 1.00 0.00 O +ATOM 2438 H1 TIP3A 813 18.381 34.450 32.160 1.00 0.00 H +ATOM 2439 H2 TIP3A 813 17.259 33.498 31.801 1.00 0.00 H +ATOM 2440 O1 TIP3A 814 21.187 31.547 16.284 1.00 0.00 O +ATOM 2441 H1 TIP3A 814 20.912 32.294 15.754 1.00 0.00 H +ATOM 2442 H2 TIP3A 814 20.451 31.389 16.877 1.00 0.00 H +ATOM 2443 O1 TIP3A 815 50.684 16.642 15.516 1.00 0.00 O +ATOM 2444 H1 TIP3A 815 51.271 16.640 16.271 1.00 0.00 H +ATOM 2445 H2 TIP3A 815 49.811 16.519 15.889 1.00 0.00 H +ATOM 2446 O1 TIP3A 816 43.322 50.185 35.887 1.00 0.00 O +ATOM 2447 H1 TIP3A 816 43.846 50.984 35.932 1.00 0.00 H +ATOM 2448 H2 TIP3A 816 43.950 49.498 35.662 1.00 0.00 H +ATOM 2449 O1 TIP3A 817 32.213 50.356 1.709 1.00 0.00 O +ATOM 2450 H1 TIP3A 817 32.027 51.239 2.025 1.00 0.00 H +ATOM 2451 H2 TIP3A 817 32.482 50.479 0.798 1.00 0.00 H +ATOM 2452 O1 TIP3A 818 19.984 15.254 47.754 1.00 0.00 O +ATOM 2453 H1 TIP3A 818 19.279 14.616 47.652 1.00 0.00 H +ATOM 2454 H2 TIP3A 818 19.621 16.071 47.410 1.00 0.00 H +ATOM 2455 O1 TIP3A 819 4.090 2.665 4.770 1.00 0.00 O +ATOM 2456 H1 TIP3A 819 4.509 3.013 5.556 1.00 0.00 H +ATOM 2457 H2 TIP3A 819 3.305 2.222 5.092 1.00 0.00 H +ATOM 2458 O1 TIP3A 820 43.758 9.965 43.052 1.00 0.00 O +ATOM 2459 H1 TIP3A 820 42.815 9.952 43.212 1.00 0.00 H +ATOM 2460 H2 TIP3A 820 44.047 9.072 43.245 1.00 0.00 H +ATOM 2461 O1 TIP3A 821 8.395 4.353 48.384 1.00 0.00 O +ATOM 2462 H1 TIP3A 821 8.198 3.440 48.587 1.00 0.00 H +ATOM 2463 H2 TIP3A 821 8.135 4.836 49.169 1.00 0.00 H +ATOM 2464 O1 TIP3A 822 26.434 27.322 4.542 1.00 0.00 O +ATOM 2465 H1 TIP3A 822 26.626 28.259 4.538 1.00 0.00 H +ATOM 2466 H2 TIP3A 822 27.016 26.961 5.212 1.00 0.00 H +ATOM 2467 O1 TIP3A 823 38.855 54.370 19.178 1.00 0.00 O +ATOM 2468 H1 TIP3A 823 39.631 54.719 19.615 1.00 0.00 H +ATOM 2469 H2 TIP3A 823 38.909 53.423 19.312 1.00 0.00 H +ATOM 2470 O1 TIP3A 824 43.618 46.665 18.236 1.00 0.00 O +ATOM 2471 H1 TIP3A 824 44.160 45.878 18.283 1.00 0.00 H +ATOM 2472 H2 TIP3A 824 43.893 47.099 17.427 1.00 0.00 H +ATOM 2473 O1 TIP3A 825 10.149 47.352 34.285 1.00 0.00 O +ATOM 2474 H1 TIP3A 825 10.854 47.846 34.701 1.00 0.00 H +ATOM 2475 H2 TIP3A 825 10.539 47.007 33.481 1.00 0.00 H +ATOM 2476 O1 TIP3A 826 45.437 46.269 23.217 1.00 0.00 O +ATOM 2477 H1 TIP3A 826 45.956 47.063 23.342 1.00 0.00 H +ATOM 2478 H2 TIP3A 826 44.528 46.563 23.284 1.00 0.00 H +ATOM 2479 O1 TIP3A 827 42.032 15.487 39.725 1.00 0.00 O +ATOM 2480 H1 TIP3A 827 41.078 15.424 39.765 1.00 0.00 H +ATOM 2481 H2 TIP3A 827 42.343 14.738 40.235 1.00 0.00 H +ATOM 2482 O1 TIP3A 828 27.947 51.987 57.367 1.00 0.00 O +ATOM 2483 H1 TIP3A 828 28.467 51.260 57.027 1.00 0.00 H +ATOM 2484 H2 TIP3A 828 28.511 52.402 58.020 1.00 0.00 H +ATOM 2485 O1 TIP3A 829 31.693 49.951 41.545 1.00 0.00 O +ATOM 2486 H1 TIP3A 829 30.860 50.156 41.969 1.00 0.00 H +ATOM 2487 H2 TIP3A 829 31.512 49.168 41.024 1.00 0.00 H +ATOM 2488 O1 TIP3A 830 22.532 36.792 29.614 1.00 0.00 O +ATOM 2489 H1 TIP3A 830 22.546 35.837 29.567 1.00 0.00 H +ATOM 2490 H2 TIP3A 830 21.992 37.062 28.870 1.00 0.00 H +ATOM 2491 O1 TIP3A 831 27.009 32.370 39.191 1.00 0.00 O +ATOM 2492 H1 TIP3A 831 26.398 32.584 39.896 1.00 0.00 H +ATOM 2493 H2 TIP3A 831 27.862 32.312 39.622 1.00 0.00 H +ATOM 2494 O1 TIP3A 832 20.583 52.283 22.569 1.00 0.00 O +ATOM 2495 H1 TIP3A 832 20.583 51.401 22.940 1.00 0.00 H +ATOM 2496 H2 TIP3A 832 20.972 52.178 21.700 1.00 0.00 H +ATOM 2497 O1 TIP3A 833 13.390 51.649 23.425 1.00 0.00 O +ATOM 2498 H1 TIP3A 833 12.557 51.181 23.391 1.00 0.00 H +ATOM 2499 H2 TIP3A 833 13.287 52.368 22.801 1.00 0.00 H +ATOM 2500 O1 TIP3A 834 28.760 26.033 26.593 1.00 0.00 O +ATOM 2501 H1 TIP3A 834 28.954 25.727 25.708 1.00 0.00 H +ATOM 2502 H2 TIP3A 834 29.492 26.610 26.814 1.00 0.00 H +ATOM 2503 O1 TIP3A 835 2.222 56.267 38.743 1.00 0.00 O +ATOM 2504 H1 TIP3A 835 2.083 55.377 38.420 1.00 0.00 H +ATOM 2505 H2 TIP3A 835 2.337 56.794 37.951 1.00 0.00 H +ATOM 2506 O1 TIP3A 836 12.745 7.546 23.660 1.00 0.00 O +ATOM 2507 H1 TIP3A 836 13.425 6.893 23.499 1.00 0.00 H +ATOM 2508 H2 TIP3A 836 12.819 8.156 22.926 1.00 0.00 H +ATOM 2509 O1 TIP3A 837 21.251 34.916 7.830 1.00 0.00 O +ATOM 2510 H1 TIP3A 837 21.760 35.709 7.993 1.00 0.00 H +ATOM 2511 H2 TIP3A 837 20.684 34.832 8.598 1.00 0.00 H +ATOM 2512 O1 TIP3A 838 25.739 48.151 14.765 1.00 0.00 O +ATOM 2513 H1 TIP3A 838 24.833 48.457 14.781 1.00 0.00 H +ATOM 2514 H2 TIP3A 838 25.767 47.449 15.416 1.00 0.00 H +ATOM 2515 O1 TIP3A 839 48.456 56.881 49.088 1.00 0.00 O +ATOM 2516 H1 TIP3A 839 49.120 56.629 48.447 1.00 0.00 H +ATOM 2517 H2 TIP3A 839 47.982 57.601 48.672 1.00 0.00 H +ATOM 2518 O1 TIP3A 840 33.971 39.055 5.973 1.00 0.00 O +ATOM 2519 H1 TIP3A 840 34.736 38.680 6.408 1.00 0.00 H +ATOM 2520 H2 TIP3A 840 33.674 38.368 5.375 1.00 0.00 H +ATOM 2521 O1 TIP3A 841 31.975 53.940 54.338 1.00 0.00 O +ATOM 2522 H1 TIP3A 841 32.264 54.779 53.982 1.00 0.00 H +ATOM 2523 H2 TIP3A 841 31.174 53.737 53.854 1.00 0.00 H +ATOM 2524 O1 TIP3A 842 6.553 6.912 12.496 1.00 0.00 O +ATOM 2525 H1 TIP3A 842 6.507 6.127 11.952 1.00 0.00 H +ATOM 2526 H2 TIP3A 842 5.772 7.414 12.260 1.00 0.00 H +ATOM 2527 O1 TIP3A 843 28.104 5.618 13.743 1.00 0.00 O +ATOM 2528 H1 TIP3A 843 27.691 4.779 13.541 1.00 0.00 H +ATOM 2529 H2 TIP3A 843 27.918 6.167 12.981 1.00 0.00 H +ATOM 2530 O1 TIP3A 844 25.710 5.224 45.266 1.00 0.00 O +ATOM 2531 H1 TIP3A 844 25.616 5.633 46.125 1.00 0.00 H +ATOM 2532 H2 TIP3A 844 26.219 4.431 45.431 1.00 0.00 H +ATOM 2533 O1 TIP3A 845 23.705 16.466 11.223 1.00 0.00 O +ATOM 2534 H1 TIP3A 845 23.197 15.992 10.566 1.00 0.00 H +ATOM 2535 H2 TIP3A 845 23.210 16.352 12.036 1.00 0.00 H +ATOM 2536 O1 TIP3A 846 24.663 51.880 18.156 1.00 0.00 O +ATOM 2537 H1 TIP3A 846 24.191 51.067 18.336 1.00 0.00 H +ATOM 2538 H2 TIP3A 846 24.785 52.282 19.016 1.00 0.00 H +ATOM 2539 O1 TIP3A 847 21.278 30.265 13.453 1.00 0.00 O +ATOM 2540 H1 TIP3A 847 20.647 30.434 14.152 1.00 0.00 H +ATOM 2541 H2 TIP3A 847 21.194 31.018 12.867 1.00 0.00 H +ATOM 2542 O1 TIP3A 848 47.401 22.039 2.663 1.00 0.00 O +ATOM 2543 H1 TIP3A 848 47.072 21.893 3.550 1.00 0.00 H +ATOM 2544 H2 TIP3A 848 46.647 21.871 2.097 1.00 0.00 H +ATOM 2545 O1 TIP3A 849 6.266 13.096 54.677 1.00 0.00 O +ATOM 2546 H1 TIP3A 849 7.074 12.649 54.927 1.00 0.00 H +ATOM 2547 H2 TIP3A 849 5.579 12.443 54.817 1.00 0.00 H +ATOM 2548 O1 TIP3A 850 36.047 1.663 14.645 1.00 0.00 O +ATOM 2549 H1 TIP3A 850 35.456 1.059 15.092 1.00 0.00 H +ATOM 2550 H2 TIP3A 850 35.642 1.806 13.789 1.00 0.00 H +ATOM 2551 O1 TIP3A 851 37.358 23.053 8.036 1.00 0.00 O +ATOM 2552 H1 TIP3A 851 38.288 23.248 8.150 1.00 0.00 H +ATOM 2553 H2 TIP3A 851 37.298 22.103 8.135 1.00 0.00 H +ATOM 2554 O1 TIP3A 852 9.915 24.253 12.899 1.00 0.00 O +ATOM 2555 H1 TIP3A 852 9.145 23.824 13.271 1.00 0.00 H +ATOM 2556 H2 TIP3A 852 9.593 25.101 12.591 1.00 0.00 H +ATOM 2557 O1 TIP3A 853 44.038 44.253 16.132 1.00 0.00 O +ATOM 2558 H1 TIP3A 853 44.123 45.204 16.182 1.00 0.00 H +ATOM 2559 H2 TIP3A 853 44.711 43.983 15.508 1.00 0.00 H +ATOM 2560 O1 TIP3A 854 16.671 30.094 35.477 1.00 0.00 O +ATOM 2561 H1 TIP3A 854 17.460 30.129 36.017 1.00 0.00 H +ATOM 2562 H2 TIP3A 854 16.994 30.157 34.577 1.00 0.00 H +ATOM 2563 O1 TIP3A 855 24.615 48.088 7.718 1.00 0.00 O +ATOM 2564 H1 TIP3A 855 25.350 48.699 7.684 1.00 0.00 H +ATOM 2565 H2 TIP3A 855 23.987 48.501 8.311 1.00 0.00 H +ATOM 2566 O1 TIP3A 856 26.431 2.807 4.919 1.00 0.00 O +ATOM 2567 H1 TIP3A 856 25.512 2.859 5.180 1.00 0.00 H +ATOM 2568 H2 TIP3A 856 26.585 3.610 4.419 1.00 0.00 H +ATOM 2569 O1 TIP3A 857 28.091 26.689 10.527 1.00 0.00 O +ATOM 2570 H1 TIP3A 857 28.583 25.875 10.633 1.00 0.00 H +ATOM 2571 H2 TIP3A 857 27.663 26.822 11.373 1.00 0.00 H +ATOM 2572 O1 TIP3A 858 35.924 23.568 48.402 1.00 0.00 O +ATOM 2573 H1 TIP3A 858 35.182 23.863 48.929 1.00 0.00 H +ATOM 2574 H2 TIP3A 858 36.349 24.375 48.111 1.00 0.00 H +ATOM 2575 O1 TIP3A 859 43.958 51.376 44.054 1.00 0.00 O +ATOM 2576 H1 TIP3A 859 44.504 51.147 44.805 1.00 0.00 H +ATOM 2577 H2 TIP3A 859 44.466 52.033 43.578 1.00 0.00 H +ATOM 2578 O1 TIP3A 860 13.658 28.627 37.237 1.00 0.00 O +ATOM 2579 H1 TIP3A 860 13.038 28.287 37.881 1.00 0.00 H +ATOM 2580 H2 TIP3A 860 13.538 29.577 37.267 1.00 0.00 H +ATOM 2581 O1 TIP3A 861 9.735 23.425 16.170 1.00 0.00 O +ATOM 2582 H1 TIP3A 861 10.025 23.494 15.261 1.00 0.00 H +ATOM 2583 H2 TIP3A 861 10.541 23.288 16.669 1.00 0.00 H +ATOM 2584 O1 TIP3A 862 20.497 2.910 8.240 1.00 0.00 O +ATOM 2585 H1 TIP3A 862 19.566 3.129 8.244 1.00 0.00 H +ATOM 2586 H2 TIP3A 862 20.793 3.134 7.357 1.00 0.00 H +ATOM 2587 O1 TIP3A 863 0.970 22.724 25.706 1.00 0.00 O +ATOM 2588 H1 TIP3A 863 1.893 22.491 25.617 1.00 0.00 H +ATOM 2589 H2 TIP3A 863 0.965 23.457 26.323 1.00 0.00 H +ATOM 2590 O1 TIP3A 864 46.670 10.975 43.349 1.00 0.00 O +ATOM 2591 H1 TIP3A 864 45.780 11.238 43.581 1.00 0.00 H +ATOM 2592 H2 TIP3A 864 46.851 11.437 42.529 1.00 0.00 H +ATOM 2593 O1 TIP3A 865 12.680 1.346 21.784 1.00 0.00 O +ATOM 2594 H1 TIP3A 865 13.540 1.480 21.388 1.00 0.00 H +ATOM 2595 H2 TIP3A 865 12.249 0.708 21.215 1.00 0.00 H +ATOM 2596 O1 TIP3A 866 35.605 44.237 1.457 1.00 0.00 O +ATOM 2597 H1 TIP3A 866 35.456 45.144 1.190 1.00 0.00 H +ATOM 2598 H2 TIP3A 866 35.386 44.222 2.389 1.00 0.00 H +ATOM 2599 O1 TIP3A 867 44.023 10.323 23.219 1.00 0.00 O +ATOM 2600 H1 TIP3A 867 44.452 9.800 23.895 1.00 0.00 H +ATOM 2601 H2 TIP3A 867 43.924 11.190 23.613 1.00 0.00 H +ATOM 2602 O1 TIP3A 868 14.752 45.452 26.829 1.00 0.00 O +ATOM 2603 H1 TIP3A 868 14.151 46.155 26.586 1.00 0.00 H +ATOM 2604 H2 TIP3A 868 14.353 44.659 26.470 1.00 0.00 H +ATOM 2605 O1 TIP3A 869 5.351 20.174 21.828 1.00 0.00 O +ATOM 2606 H1 TIP3A 869 6.269 20.140 21.562 1.00 0.00 H +ATOM 2607 H2 TIP3A 869 4.994 19.324 21.567 1.00 0.00 H +ATOM 2608 O1 TIP3A 870 52.557 54.168 52.445 1.00 0.00 O +ATOM 2609 H1 TIP3A 870 51.698 53.788 52.625 1.00 0.00 H +ATOM 2610 H2 TIP3A 870 52.366 55.018 52.048 1.00 0.00 H +ATOM 2611 O1 TIP3A 871 22.170 3.249 11.353 1.00 0.00 O +ATOM 2612 H1 TIP3A 871 22.990 3.741 11.355 1.00 0.00 H +ATOM 2613 H2 TIP3A 871 21.624 3.690 12.005 1.00 0.00 H +ATOM 2614 O1 TIP3A 872 57.069 48.173 35.829 1.00 0.00 O +ATOM 2615 H1 TIP3A 872 57.926 48.505 36.095 1.00 0.00 H +ATOM 2616 H2 TIP3A 872 56.984 48.434 34.912 1.00 0.00 H +ATOM 2617 O1 TIP3A 873 25.390 50.198 13.467 1.00 0.00 O +ATOM 2618 H1 TIP3A 873 26.089 50.428 14.078 1.00 0.00 H +ATOM 2619 H2 TIP3A 873 24.781 50.936 13.510 1.00 0.00 H +ATOM 2620 O1 TIP3A 874 9.387 1.829 15.773 1.00 0.00 O +ATOM 2621 H1 TIP3A 874 9.613 1.218 16.473 1.00 0.00 H +ATOM 2622 H2 TIP3A 874 10.010 2.550 15.871 1.00 0.00 H +ATOM 2623 O1 TIP3A 875 21.558 47.931 44.004 1.00 0.00 O +ATOM 2624 H1 TIP3A 875 22.254 48.491 43.662 1.00 0.00 H +ATOM 2625 H2 TIP3A 875 20.826 48.061 43.399 1.00 0.00 H +ATOM 2626 O1 TIP3A 876 6.544 37.344 5.223 1.00 0.00 O +ATOM 2627 H1 TIP3A 876 5.631 37.612 5.324 1.00 0.00 H +ATOM 2628 H2 TIP3A 876 6.907 37.963 4.590 1.00 0.00 H +ATOM 2629 O1 TIP3A 877 23.491 38.480 56.806 1.00 0.00 O +ATOM 2630 H1 TIP3A 877 24.398 38.531 57.107 1.00 0.00 H +ATOM 2631 H2 TIP3A 877 22.968 38.661 57.588 1.00 0.00 H +ATOM 2632 O1 TIP3A 878 23.512 46.964 27.455 1.00 0.00 O +ATOM 2633 H1 TIP3A 878 22.623 47.207 27.198 1.00 0.00 H +ATOM 2634 H2 TIP3A 878 24.075 47.575 26.978 1.00 0.00 H +ATOM 2635 O1 TIP3A 879 30.328 20.832 43.670 1.00 0.00 O +ATOM 2636 H1 TIP3A 879 31.263 20.769 43.480 1.00 0.00 H +ATOM 2637 H2 TIP3A 879 30.272 21.453 44.397 1.00 0.00 H +ATOM 2638 O1 TIP3A 880 12.127 16.087 25.577 1.00 0.00 O +ATOM 2639 H1 TIP3A 880 12.838 15.960 26.204 1.00 0.00 H +ATOM 2640 H2 TIP3A 880 12.322 15.474 24.867 1.00 0.00 H +ATOM 2641 O1 TIP3A 881 20.112 29.232 11.334 1.00 0.00 O +ATOM 2642 H1 TIP3A 881 20.511 28.758 10.605 1.00 0.00 H +ATOM 2643 H2 TIP3A 881 19.975 30.118 10.998 1.00 0.00 H +ATOM 2644 O1 TIP3A 882 4.050 23.138 28.658 1.00 0.00 O +ATOM 2645 H1 TIP3A 882 4.083 24.092 28.595 1.00 0.00 H +ATOM 2646 H2 TIP3A 882 4.686 22.832 28.010 1.00 0.00 H +ATOM 2647 O1 TIP3A 883 21.534 58.009 55.631 1.00 0.00 O +ATOM 2648 H1 TIP3A 883 21.001 57.957 56.425 1.00 0.00 H +ATOM 2649 H2 TIP3A 883 22.434 57.903 55.939 1.00 0.00 H +ATOM 2650 O1 TIP3A 884 13.103 48.344 9.839 1.00 0.00 O +ATOM 2651 H1 TIP3A 884 12.327 47.996 9.401 1.00 0.00 H +ATOM 2652 H2 TIP3A 884 13.826 48.142 9.245 1.00 0.00 H +ATOM 2653 O1 TIP3A 885 41.547 53.741 11.390 1.00 0.00 O +ATOM 2654 H1 TIP3A 885 41.033 53.516 12.165 1.00 0.00 H +ATOM 2655 H2 TIP3A 885 41.000 54.366 10.913 1.00 0.00 H +ATOM 2656 O1 TIP3A 886 -0.005 36.610 19.667 1.00 0.00 O +ATOM 2657 H1 TIP3A 886 0.771 37.007 20.060 1.00 0.00 H +ATOM 2658 H2 TIP3A 886 0.143 36.675 18.723 1.00 0.00 H +ATOM 2659 O1 TIP3A 887 6.968 51.757 0.095 1.00 0.00 O +ATOM 2660 H1 TIP3A 887 6.138 51.493 0.490 1.00 0.00 H +ATOM 2661 H2 TIP3A 887 6.890 52.705 -0.015 1.00 0.00 H +ATOM 2662 O1 TIP3A 888 32.622 8.380 26.234 1.00 0.00 O +ATOM 2663 H1 TIP3A 888 32.229 7.941 26.988 1.00 0.00 H +ATOM 2664 H2 TIP3A 888 31.918 8.921 25.876 1.00 0.00 H +ATOM 2665 O1 TIP3A 889 47.444 30.301 38.497 1.00 0.00 O +ATOM 2666 H1 TIP3A 889 46.533 30.038 38.365 1.00 0.00 H +ATOM 2667 H2 TIP3A 889 47.897 30.002 37.709 1.00 0.00 H +ATOM 2668 O1 TIP3A 890 52.780 11.684 49.195 1.00 0.00 O +ATOM 2669 H1 TIP3A 890 52.198 10.938 49.060 1.00 0.00 H +ATOM 2670 H2 TIP3A 890 52.193 12.438 49.264 1.00 0.00 H +ATOM 2671 O1 TIP3A 891 37.259 17.564 26.274 1.00 0.00 O +ATOM 2672 H1 TIP3A 891 38.134 17.746 25.933 1.00 0.00 H +ATOM 2673 H2 TIP3A 891 36.665 17.930 25.618 1.00 0.00 H +ATOM 2674 O1 TIP3A 892 39.070 2.102 10.845 1.00 0.00 O +ATOM 2675 H1 TIP3A 892 38.427 2.728 10.515 1.00 0.00 H +ATOM 2676 H2 TIP3A 892 39.906 2.406 10.489 1.00 0.00 H +ATOM 2677 O1 TIP3A 893 0.401 52.615 1.574 1.00 0.00 O +ATOM 2678 H1 TIP3A 893 0.268 51.858 1.005 1.00 0.00 H +ATOM 2679 H2 TIP3A 893 -0.001 52.364 2.406 1.00 0.00 H +ATOM 2680 O1 TIP3A 894 45.677 36.837 39.007 1.00 0.00 O +ATOM 2681 H1 TIP3A 894 45.434 37.127 39.885 1.00 0.00 H +ATOM 2682 H2 TIP3A 894 46.004 35.946 39.129 1.00 0.00 H +ATOM 2683 O1 TIP3A 895 6.443 6.943 6.726 1.00 0.00 O +ATOM 2684 H1 TIP3A 895 6.216 6.085 6.369 1.00 0.00 H +ATOM 2685 H2 TIP3A 895 6.984 7.349 6.048 1.00 0.00 H +ATOM 2686 O1 TIP3A 896 9.181 11.551 39.908 1.00 0.00 O +ATOM 2687 H1 TIP3A 896 8.840 11.729 40.783 1.00 0.00 H +ATOM 2688 H2 TIP3A 896 8.402 11.496 39.353 1.00 0.00 H +ATOM 2689 O1 TIP3A 897 53.299 18.005 23.458 1.00 0.00 O +ATOM 2690 H1 TIP3A 897 54.185 17.716 23.243 1.00 0.00 H +ATOM 2691 H2 TIP3A 897 52.756 17.665 22.746 1.00 0.00 H +ATOM 2692 O1 TIP3A 898 10.635 53.558 21.551 1.00 0.00 O +ATOM 2693 H1 TIP3A 898 11.208 54.271 21.272 1.00 0.00 H +ATOM 2694 H2 TIP3A 898 11.214 52.949 22.009 1.00 0.00 H +ATOM 2695 O1 TIP3A 899 53.505 51.321 16.011 1.00 0.00 O +ATOM 2696 H1 TIP3A 899 53.190 50.432 16.172 1.00 0.00 H +ATOM 2697 H2 TIP3A 899 53.031 51.862 16.644 1.00 0.00 H +ATOM 2698 O1 TIP3A 900 1.354 48.292 19.048 1.00 0.00 O +ATOM 2699 H1 TIP3A 900 2.013 48.902 18.718 1.00 0.00 H +ATOM 2700 H2 TIP3A 900 1.757 47.428 18.952 1.00 0.00 H +ATOM 2701 O1 TIP3A 901 28.064 34.617 36.637 1.00 0.00 O +ATOM 2702 H1 TIP3A 901 27.481 35.373 36.689 1.00 0.00 H +ATOM 2703 H2 TIP3A 901 28.254 34.524 35.703 1.00 0.00 H +ATOM 2704 O1 TIP3A 902 36.673 57.109 47.611 1.00 0.00 O +ATOM 2705 H1 TIP3A 902 36.584 57.569 46.778 1.00 0.00 H +ATOM 2706 H2 TIP3A 902 36.679 56.181 47.374 1.00 0.00 H +ATOM 2707 O1 TIP3A 903 51.551 49.475 56.442 1.00 0.00 O +ATOM 2708 H1 TIP3A 903 51.023 49.625 57.226 1.00 0.00 H +ATOM 2709 H2 TIP3A 903 50.990 48.948 55.872 1.00 0.00 H +ATOM 2710 O1 TIP3A 904 41.292 50.821 22.654 1.00 0.00 O +ATOM 2711 H1 TIP3A 904 41.026 50.228 21.952 1.00 0.00 H +ATOM 2712 H2 TIP3A 904 42.249 50.809 22.629 1.00 0.00 H +ATOM 2713 O1 TIP3A 905 39.655 48.710 25.131 1.00 0.00 O +ATOM 2714 H1 TIP3A 905 39.055 47.994 24.926 1.00 0.00 H +ATOM 2715 H2 TIP3A 905 39.672 49.244 24.336 1.00 0.00 H +ATOM 2716 O1 TIP3A 906 36.327 11.919 55.734 1.00 0.00 O +ATOM 2717 H1 TIP3A 906 36.278 12.835 56.003 1.00 0.00 H +ATOM 2718 H2 TIP3A 906 36.252 11.943 54.780 1.00 0.00 H +ATOM 2719 O1 TIP3A 907 55.962 16.340 9.205 1.00 0.00 O +ATOM 2720 H1 TIP3A 907 56.896 16.161 9.100 1.00 0.00 H +ATOM 2721 H2 TIP3A 907 55.815 16.298 10.150 1.00 0.00 H +ATOM 2722 O1 TIP3A 908 22.224 40.718 5.846 1.00 0.00 O +ATOM 2723 H1 TIP3A 908 21.886 39.999 6.378 1.00 0.00 H +ATOM 2724 H2 TIP3A 908 21.446 41.111 5.450 1.00 0.00 H +ATOM 2725 O1 TIP3A 909 51.782 26.154 49.003 1.00 0.00 O +ATOM 2726 H1 TIP3A 909 52.726 26.219 49.144 1.00 0.00 H +ATOM 2727 H2 TIP3A 909 51.686 25.479 48.331 1.00 0.00 H +ATOM 2728 O1 TIP3A 910 36.177 46.710 55.329 1.00 0.00 O +ATOM 2729 H1 TIP3A 910 35.910 47.604 55.118 1.00 0.00 H +ATOM 2730 H2 TIP3A 910 36.644 46.408 54.549 1.00 0.00 H +ATOM 2731 O1 TIP3A 911 26.896 50.703 43.442 1.00 0.00 O +ATOM 2732 H1 TIP3A 911 27.562 51.238 43.872 1.00 0.00 H +ATOM 2733 H2 TIP3A 911 27.372 49.936 43.124 1.00 0.00 H +ATOM 2734 O1 TIP3A 912 7.532 32.648 36.561 1.00 0.00 O +ATOM 2735 H1 TIP3A 912 8.041 32.627 35.751 1.00 0.00 H +ATOM 2736 H2 TIP3A 912 6.619 32.623 36.271 1.00 0.00 H +ATOM 2737 O1 TIP3A 913 31.862 18.202 19.683 1.00 0.00 O +ATOM 2738 H1 TIP3A 913 31.612 17.721 18.894 1.00 0.00 H +ATOM 2739 H2 TIP3A 913 32.567 17.680 20.068 1.00 0.00 H +ATOM 2740 O1 TIP3A 914 48.499 3.652 20.227 1.00 0.00 O +ATOM 2741 H1 TIP3A 914 47.598 3.969 20.277 1.00 0.00 H +ATOM 2742 H2 TIP3A 914 48.965 4.328 19.734 1.00 0.00 H +ATOM 2743 O1 TIP3A 915 28.665 17.107 43.089 1.00 0.00 O +ATOM 2744 H1 TIP3A 915 28.050 17.731 43.473 1.00 0.00 H +ATOM 2745 H2 TIP3A 915 28.600 17.256 42.145 1.00 0.00 H +ATOM 2746 O1 TIP3A 916 55.395 18.174 19.998 1.00 0.00 O +ATOM 2747 H1 TIP3A 916 55.214 19.006 19.561 1.00 0.00 H +ATOM 2748 H2 TIP3A 916 54.653 18.049 20.591 1.00 0.00 H +ATOM 2749 O1 TIP3A 917 57.703 51.823 30.520 1.00 0.00 O +ATOM 2750 H1 TIP3A 917 57.270 52.643 30.753 1.00 0.00 H +ATOM 2751 H2 TIP3A 917 57.209 51.496 29.768 1.00 0.00 H +ATOM 2752 O1 TIP3A 918 26.619 55.158 40.019 1.00 0.00 O +ATOM 2753 H1 TIP3A 918 26.442 54.291 40.383 1.00 0.00 H +ATOM 2754 H2 TIP3A 918 27.138 55.599 40.692 1.00 0.00 H +ATOM 2755 O1 TIP3A 919 52.181 57.999 24.038 1.00 0.00 O +ATOM 2756 H1 TIP3A 919 51.817 57.117 23.964 1.00 0.00 H +ATOM 2757 H2 TIP3A 919 53.076 57.863 24.353 1.00 0.00 H +ATOM 2758 O1 TIP3A 920 0.746 15.727 19.283 1.00 0.00 O +ATOM 2759 H1 TIP3A 920 0.461 16.626 19.120 1.00 0.00 H +ATOM 2760 H2 TIP3A 920 -0.000 15.314 19.719 1.00 0.00 H +ATOM 2761 O1 TIP3A 921 18.467 24.556 50.796 1.00 0.00 O +ATOM 2762 H1 TIP3A 921 17.523 24.406 50.819 1.00 0.00 H +ATOM 2763 H2 TIP3A 921 18.824 23.937 51.434 1.00 0.00 H +ATOM 2764 O1 TIP3A 922 53.787 36.885 56.335 1.00 0.00 O +ATOM 2765 H1 TIP3A 922 53.447 36.417 57.096 1.00 0.00 H +ATOM 2766 H2 TIP3A 922 53.119 36.763 55.660 1.00 0.00 H +ATOM 2767 O1 TIP3A 923 2.114 4.894 9.217 1.00 0.00 O +ATOM 2768 H1 TIP3A 923 3.043 5.059 9.376 1.00 0.00 H +ATOM 2769 H2 TIP3A 923 1.662 5.395 9.897 1.00 0.00 H +ATOM 2770 O1 TIP3A 924 16.125 47.287 4.584 1.00 0.00 O +ATOM 2771 H1 TIP3A 924 16.736 47.106 3.870 1.00 0.00 H +ATOM 2772 H2 TIP3A 924 15.260 47.255 4.174 1.00 0.00 H +ATOM 2773 O1 TIP3A 925 42.215 14.448 4.037 1.00 0.00 O +ATOM 2774 H1 TIP3A 925 42.350 15.336 4.367 1.00 0.00 H +ATOM 2775 H2 TIP3A 925 41.811 14.570 3.178 1.00 0.00 H +ATOM 2776 O1 TIP3A 926 22.975 16.625 20.819 1.00 0.00 O +ATOM 2777 H1 TIP3A 926 22.112 16.297 21.069 1.00 0.00 H +ATOM 2778 H2 TIP3A 926 23.235 16.075 20.079 1.00 0.00 H +ATOM 2779 O1 TIP3A 927 39.612 39.250 12.709 1.00 0.00 O +ATOM 2780 H1 TIP3A 927 40.279 39.703 12.196 1.00 0.00 H +ATOM 2781 H2 TIP3A 927 39.362 38.499 12.169 1.00 0.00 H +ATOM 2782 O1 TIP3A 928 36.830 31.754 47.525 1.00 0.00 O +ATOM 2783 H1 TIP3A 928 36.004 31.306 47.346 1.00 0.00 H +ATOM 2784 H2 TIP3A 928 36.949 32.345 46.781 1.00 0.00 H +ATOM 2785 O1 TIP3A 929 49.429 36.777 57.188 1.00 0.00 O +ATOM 2786 H1 TIP3A 929 48.478 36.718 57.110 1.00 0.00 H +ATOM 2787 H2 TIP3A 929 49.696 35.920 57.524 1.00 0.00 H +ATOM 2788 O1 TIP3A 930 46.494 37.598 50.446 1.00 0.00 O +ATOM 2789 H1 TIP3A 930 45.911 36.843 50.370 1.00 0.00 H +ATOM 2790 H2 TIP3A 930 47.130 37.343 51.116 1.00 0.00 H +ATOM 2791 O1 TIP3A 931 9.853 55.573 1.112 1.00 0.00 O +ATOM 2792 H1 TIP3A 931 9.489 56.364 0.717 1.00 0.00 H +ATOM 2793 H2 TIP3A 931 9.263 54.871 0.832 1.00 0.00 H +ATOM 2794 O1 TIP3A 932 3.125 28.121 11.031 1.00 0.00 O +ATOM 2795 H1 TIP3A 932 2.832 27.211 11.034 1.00 0.00 H +ATOM 2796 H2 TIP3A 932 3.802 28.157 11.707 1.00 0.00 H +ATOM 2797 O1 TIP3A 933 9.337 2.162 23.860 1.00 0.00 O +ATOM 2798 H1 TIP3A 933 9.662 3.025 23.607 1.00 0.00 H +ATOM 2799 H2 TIP3A 933 9.411 2.149 24.815 1.00 0.00 H +ATOM 2800 O1 TIP3A 934 4.082 27.103 27.163 1.00 0.00 O +ATOM 2801 H1 TIP3A 934 4.026 27.070 26.208 1.00 0.00 H +ATOM 2802 H2 TIP3A 934 3.472 26.428 27.463 1.00 0.00 H +ATOM 2803 O1 TIP3A 935 52.788 47.866 36.996 1.00 0.00 O +ATOM 2804 H1 TIP3A 935 53.396 48.583 37.173 1.00 0.00 H +ATOM 2805 H2 TIP3A 935 53.208 47.361 36.299 1.00 0.00 H +ATOM 2806 O1 TIP3A 936 20.577 45.816 55.650 1.00 0.00 O +ATOM 2807 H1 TIP3A 936 20.837 46.630 56.080 1.00 0.00 H +ATOM 2808 H2 TIP3A 936 20.986 45.859 54.786 1.00 0.00 H +ATOM 2809 O1 TIP3A 937 5.427 55.905 36.804 1.00 0.00 O +ATOM 2810 H1 TIP3A 937 5.490 55.045 37.217 1.00 0.00 H +ATOM 2811 H2 TIP3A 937 5.037 56.466 37.475 1.00 0.00 H +ATOM 2812 O1 TIP3A 938 56.823 42.301 17.607 1.00 0.00 O +ATOM 2813 H1 TIP3A 938 57.769 42.404 17.506 1.00 0.00 H +ATOM 2814 H2 TIP3A 938 56.577 42.964 18.253 1.00 0.00 H +ATOM 2815 O1 TIP3A 939 18.183 52.422 17.573 1.00 0.00 O +ATOM 2816 H1 TIP3A 939 18.749 53.156 17.809 1.00 0.00 H +ATOM 2817 H2 TIP3A 939 17.298 52.724 17.782 1.00 0.00 H +ATOM 2818 O1 TIP3A 940 43.337 41.185 44.784 1.00 0.00 O +ATOM 2819 H1 TIP3A 940 42.752 41.873 45.100 1.00 0.00 H +ATOM 2820 H2 TIP3A 940 43.819 40.904 45.562 1.00 0.00 H +ATOM 2821 O1 TIP3A 941 54.783 17.928 6.505 1.00 0.00 O +ATOM 2822 H1 TIP3A 941 54.813 17.514 5.643 1.00 0.00 H +ATOM 2823 H2 TIP3A 941 53.884 18.246 6.587 1.00 0.00 H +ATOM 2824 O1 TIP3A 942 4.394 18.854 24.682 1.00 0.00 O +ATOM 2825 H1 TIP3A 942 4.682 19.330 23.903 1.00 0.00 H +ATOM 2826 H2 TIP3A 942 4.085 19.536 25.279 1.00 0.00 H +ATOM 2827 O1 TIP3A 943 51.228 17.757 55.667 1.00 0.00 O +ATOM 2828 H1 TIP3A 943 51.201 17.759 56.624 1.00 0.00 H +ATOM 2829 H2 TIP3A 943 50.871 16.904 55.419 1.00 0.00 H +ATOM 2830 O1 TIP3A 944 42.182 5.395 37.033 1.00 0.00 O +ATOM 2831 H1 TIP3A 944 42.286 6.338 37.152 1.00 0.00 H +ATOM 2832 H2 TIP3A 944 42.615 5.008 37.795 1.00 0.00 H +ATOM 2833 O1 TIP3A 945 10.075 8.671 34.336 1.00 0.00 O +ATOM 2834 H1 TIP3A 945 10.965 8.332 34.247 1.00 0.00 H +ATOM 2835 H2 TIP3A 945 10.191 9.594 34.564 1.00 0.00 H +ATOM 2836 O1 TIP3A 946 48.097 21.066 19.244 1.00 0.00 O +ATOM 2837 H1 TIP3A 946 47.696 21.233 18.392 1.00 0.00 H +ATOM 2838 H2 TIP3A 946 48.668 20.310 19.096 1.00 0.00 H +ATOM 2839 O1 TIP3A 947 25.946 23.564 52.391 1.00 0.00 O +ATOM 2840 H1 TIP3A 947 25.136 23.309 51.950 1.00 0.00 H +ATOM 2841 H2 TIP3A 947 25.740 24.403 52.805 1.00 0.00 H +ATOM 2842 O1 TIP3A 948 39.636 4.596 10.236 1.00 0.00 O +ATOM 2843 H1 TIP3A 948 39.953 4.340 9.370 1.00 0.00 H +ATOM 2844 H2 TIP3A 948 40.278 5.235 10.548 1.00 0.00 H +ATOM 2845 O1 TIP3A 949 8.053 34.556 38.030 1.00 0.00 O +ATOM 2846 H1 TIP3A 949 8.732 34.346 37.391 1.00 0.00 H +ATOM 2847 H2 TIP3A 949 7.252 34.638 37.511 1.00 0.00 H +ATOM 2848 O1 TIP3A 950 18.585 46.953 20.845 1.00 0.00 O +ATOM 2849 H1 TIP3A 950 18.527 46.651 21.751 1.00 0.00 H +ATOM 2850 H2 TIP3A 950 19.103 46.281 20.401 1.00 0.00 H +ATOM 2851 O1 TIP3A 951 52.095 29.239 25.317 1.00 0.00 O +ATOM 2852 H1 TIP3A 951 51.168 29.137 25.530 1.00 0.00 H +ATOM 2853 H2 TIP3A 951 52.181 30.155 25.051 1.00 0.00 H +ATOM 2854 O1 TIP3A 952 37.601 20.999 3.493 1.00 0.00 O +ATOM 2855 H1 TIP3A 952 37.588 21.386 2.619 1.00 0.00 H +ATOM 2856 H2 TIP3A 952 38.233 21.528 3.981 1.00 0.00 H +ATOM 2857 O1 TIP3A 953 0.531 48.609 51.313 1.00 0.00 O +ATOM 2858 H1 TIP3A 953 0.232 48.745 50.415 1.00 0.00 H +ATOM 2859 H2 TIP3A 953 1.345 48.113 51.222 1.00 0.00 H +ATOM 2860 O1 TIP3A 954 30.301 2.774 3.354 1.00 0.00 O +ATOM 2861 H1 TIP3A 954 30.124 2.107 2.691 1.00 0.00 H +ATOM 2862 H2 TIP3A 954 30.794 3.450 2.889 1.00 0.00 H +ATOM 2863 O1 TIP3A 955 54.632 13.565 53.218 1.00 0.00 O +ATOM 2864 H1 TIP3A 955 54.248 14.363 52.857 1.00 0.00 H +ATOM 2865 H2 TIP3A 955 55.125 13.861 53.984 1.00 0.00 H +ATOM 2866 O1 TIP3A 956 29.946 21.388 38.071 1.00 0.00 O +ATOM 2867 H1 TIP3A 956 29.316 20.779 38.456 1.00 0.00 H +ATOM 2868 H2 TIP3A 956 30.373 20.885 37.376 1.00 0.00 H +ATOM 2869 O1 TIP3A 957 47.476 48.594 44.683 1.00 0.00 O +ATOM 2870 H1 TIP3A 957 46.796 47.921 44.647 1.00 0.00 H +ATOM 2871 H2 TIP3A 957 47.164 49.282 44.094 1.00 0.00 H +ATOM 2872 O1 TIP3A 958 36.298 13.272 7.705 1.00 0.00 O +ATOM 2873 H1 TIP3A 958 36.666 12.407 7.878 1.00 0.00 H +ATOM 2874 H2 TIP3A 958 35.903 13.536 8.536 1.00 0.00 H +ATOM 2875 O1 TIP3A 959 35.962 35.147 42.127 1.00 0.00 O +ATOM 2876 H1 TIP3A 959 35.072 35.493 42.185 1.00 0.00 H +ATOM 2877 H2 TIP3A 959 35.982 34.426 42.757 1.00 0.00 H +ATOM 2878 O1 TIP3A 960 44.582 3.419 22.593 1.00 0.00 O +ATOM 2879 H1 TIP3A 960 44.745 2.920 23.392 1.00 0.00 H +ATOM 2880 H2 TIP3A 960 44.663 4.335 22.861 1.00 0.00 H +ATOM 2881 O1 TIP3A 961 10.889 3.524 21.396 1.00 0.00 O +ATOM 2882 H1 TIP3A 961 10.482 4.193 20.847 1.00 0.00 H +ATOM 2883 H2 TIP3A 961 10.254 2.808 21.414 1.00 0.00 H +ATOM 2884 O1 TIP3A 962 1.844 54.155 13.973 1.00 0.00 O +ATOM 2885 H1 TIP3A 962 2.536 53.553 14.243 1.00 0.00 H +ATOM 2886 H2 TIP3A 962 2.002 54.300 13.040 1.00 0.00 H +ATOM 2887 O1 TIP3A 963 17.168 55.383 40.540 1.00 0.00 O +ATOM 2888 H1 TIP3A 963 17.343 55.888 39.747 1.00 0.00 H +ATOM 2889 H2 TIP3A 963 17.464 55.948 41.255 1.00 0.00 H +ATOM 2890 O1 TIP3A 964 46.327 34.632 27.959 1.00 0.00 O +ATOM 2891 H1 TIP3A 964 45.981 35.523 27.996 1.00 0.00 H +ATOM 2892 H2 TIP3A 964 46.909 34.632 27.198 1.00 0.00 H +ATOM 2893 O1 TIP3A 965 47.575 53.944 56.590 1.00 0.00 O +ATOM 2894 H1 TIP3A 965 48.359 54.483 56.494 1.00 0.00 H +ATOM 2895 H2 TIP3A 965 46.907 54.546 56.919 1.00 0.00 H +ATOM 2896 O1 TIP3A 966 36.114 5.496 11.448 1.00 0.00 O +ATOM 2897 H1 TIP3A 966 35.383 5.290 12.029 1.00 0.00 H +ATOM 2898 H2 TIP3A 966 36.641 6.127 11.939 1.00 0.00 H +ATOM 2899 O1 TIP3A 967 48.670 21.068 28.242 1.00 0.00 O +ATOM 2900 H1 TIP3A 967 49.516 20.809 28.606 1.00 0.00 H +ATOM 2901 H2 TIP3A 967 48.743 22.015 28.116 1.00 0.00 H +ATOM 2902 O1 TIP3A 968 11.780 5.289 40.802 1.00 0.00 O +ATOM 2903 H1 TIP3A 968 12.486 5.870 41.084 1.00 0.00 H +ATOM 2904 H2 TIP3A 968 12.017 4.432 41.159 1.00 0.00 H +ATOM 2905 O1 TIP3A 969 15.533 3.902 16.738 1.00 0.00 O +ATOM 2906 H1 TIP3A 969 15.790 3.736 15.832 1.00 0.00 H +ATOM 2907 H2 TIP3A 969 16.322 3.717 17.249 1.00 0.00 H +ATOM 2908 O1 TIP3A 970 0.576 42.553 35.835 1.00 0.00 O +ATOM 2909 H1 TIP3A 970 0.262 41.771 35.382 1.00 0.00 H +ATOM 2910 H2 TIP3A 970 0.521 42.330 36.765 1.00 0.00 H +ATOM 2911 O1 TIP3A 971 33.489 17.319 1.414 1.00 0.00 O +ATOM 2912 H1 TIP3A 971 32.870 17.314 2.143 1.00 0.00 H +ATOM 2913 H2 TIP3A 971 33.527 18.236 1.138 1.00 0.00 H +ATOM 2914 O1 TIP3A 972 31.063 2.987 17.849 1.00 0.00 O +ATOM 2915 H1 TIP3A 972 30.441 3.583 18.263 1.00 0.00 H +ATOM 2916 H2 TIP3A 972 30.923 2.149 18.290 1.00 0.00 H +ATOM 2917 O1 TIP3A 973 15.314 48.397 31.907 1.00 0.00 O +ATOM 2918 H1 TIP3A 973 14.850 49.233 31.925 1.00 0.00 H +ATOM 2919 H2 TIP3A 973 15.993 48.484 32.578 1.00 0.00 H +ATOM 2920 O1 TIP3A 974 32.831 42.342 23.164 1.00 0.00 O +ATOM 2921 H1 TIP3A 974 32.273 41.566 23.185 1.00 0.00 H +ATOM 2922 H2 TIP3A 974 33.493 42.180 23.837 1.00 0.00 H +ATOM 2923 O1 TIP3A 975 16.449 42.670 53.001 1.00 0.00 O +ATOM 2924 H1 TIP3A 975 16.815 42.019 52.403 1.00 0.00 H +ATOM 2925 H2 TIP3A 975 16.068 42.155 53.713 1.00 0.00 H +ATOM 2926 O1 TIP3A 976 6.798 11.730 20.292 1.00 0.00 O +ATOM 2927 H1 TIP3A 976 7.371 12.481 20.145 1.00 0.00 H +ATOM 2928 H2 TIP3A 976 5.942 12.116 20.486 1.00 0.00 H +ATOM 2929 O1 TIP3A 977 33.435 28.062 46.647 1.00 0.00 O +ATOM 2930 H1 TIP3A 977 34.092 27.962 47.335 1.00 0.00 H +ATOM 2931 H2 TIP3A 977 33.427 29.000 46.457 1.00 0.00 H +ATOM 2932 O1 TIP3A 978 19.988 22.884 42.285 1.00 0.00 O +ATOM 2933 H1 TIP3A 978 19.116 23.207 42.510 1.00 0.00 H +ATOM 2934 H2 TIP3A 978 20.233 22.322 43.020 1.00 0.00 H +ATOM 2935 O1 TIP3A 979 22.846 10.842 27.577 1.00 0.00 O +ATOM 2936 H1 TIP3A 979 22.706 10.885 28.522 1.00 0.00 H +ATOM 2937 H2 TIP3A 979 22.160 11.398 27.206 1.00 0.00 H +ATOM 2938 O1 TIP3A 980 25.313 14.806 18.064 1.00 0.00 O +ATOM 2939 H1 TIP3A 980 24.416 14.977 18.347 1.00 0.00 H +ATOM 2940 H2 TIP3A 980 25.702 15.676 17.962 1.00 0.00 H +ATOM 2941 O1 TIP3A 981 39.785 56.752 51.888 1.00 0.00 O +ATOM 2942 H1 TIP3A 981 39.576 55.839 51.694 1.00 0.00 H +ATOM 2943 H2 TIP3A 981 39.661 57.209 51.055 1.00 0.00 H +ATOM 2944 O1 TIP3A 982 22.666 37.981 32.378 1.00 0.00 O +ATOM 2945 H1 TIP3A 982 21.842 38.438 32.212 1.00 0.00 H +ATOM 2946 H2 TIP3A 982 22.423 37.056 32.420 1.00 0.00 H +ATOM 2947 O1 TIP3A 983 51.725 16.222 43.670 1.00 0.00 O +ATOM 2948 H1 TIP3A 983 51.446 15.932 44.538 1.00 0.00 H +ATOM 2949 H2 TIP3A 983 52.275 15.509 43.344 1.00 0.00 H +ATOM 2950 O1 TIP3A 984 38.179 13.956 56.183 1.00 0.00 O +ATOM 2951 H1 TIP3A 984 38.471 14.707 55.666 1.00 0.00 H +ATOM 2952 H2 TIP3A 984 38.507 13.194 55.705 1.00 0.00 H +ATOM 2953 O1 TIP3A 985 4.142 5.028 36.666 1.00 0.00 O +ATOM 2954 H1 TIP3A 985 3.970 5.224 35.745 1.00 0.00 H +ATOM 2955 H2 TIP3A 985 4.634 5.785 36.984 1.00 0.00 H +ATOM 2956 O1 TIP3A 986 3.104 2.636 37.559 1.00 0.00 O +ATOM 2957 H1 TIP3A 986 2.662 3.481 37.484 1.00 0.00 H +ATOM 2958 H2 TIP3A 986 2.666 2.199 38.290 1.00 0.00 H +ATOM 2959 O1 TIP3A 987 4.163 11.122 34.029 1.00 0.00 O +ATOM 2960 H1 TIP3A 987 3.929 10.195 33.994 1.00 0.00 H +ATOM 2961 H2 TIP3A 987 5.115 11.125 34.135 1.00 0.00 H +ATOM 2962 O1 TIP3A 988 21.080 54.600 7.681 1.00 0.00 O +ATOM 2963 H1 TIP3A 988 20.571 53.972 8.192 1.00 0.00 H +ATOM 2964 H2 TIP3A 988 20.429 55.067 7.157 1.00 0.00 H +ATOM 2965 O1 TIP3A 989 2.523 43.864 8.075 1.00 0.00 O +ATOM 2966 H1 TIP3A 989 2.392 43.726 7.138 1.00 0.00 H +ATOM 2967 H2 TIP3A 989 3.445 44.111 8.155 1.00 0.00 H +ATOM 2968 O1 TIP3A 990 9.807 17.126 27.484 1.00 0.00 O +ATOM 2969 H1 TIP3A 990 10.173 17.989 27.671 1.00 0.00 H +ATOM 2970 H2 TIP3A 990 10.368 16.771 26.794 1.00 0.00 H +ATOM 2971 O1 TIP3A 991 15.130 29.960 2.630 1.00 0.00 O +ATOM 2972 H1 TIP3A 991 14.360 30.443 2.334 1.00 0.00 H +ATOM 2973 H2 TIP3A 991 15.187 30.149 3.567 1.00 0.00 H +ATOM 2974 O1 TIP3A 992 2.170 35.024 18.569 1.00 0.00 O +ATOM 2975 H1 TIP3A 992 2.215 35.961 18.383 1.00 0.00 H +ATOM 2976 H2 TIP3A 992 1.416 34.930 19.151 1.00 0.00 H +ATOM 2977 O1 TIP3A 993 11.946 9.859 31.057 1.00 0.00 O +ATOM 2978 H1 TIP3A 993 11.227 10.263 30.572 1.00 0.00 H +ATOM 2979 H2 TIP3A 993 12.730 10.308 30.741 1.00 0.00 H +ATOM 2980 O1 TIP3A 994 31.393 29.734 15.126 1.00 0.00 O +ATOM 2981 H1 TIP3A 994 30.564 30.206 15.195 1.00 0.00 H +ATOM 2982 H2 TIP3A 994 31.674 29.608 16.032 1.00 0.00 H +ATOM 2983 O1 TIP3A 995 54.750 9.764 7.199 1.00 0.00 O +ATOM 2984 H1 TIP3A 995 55.442 10.205 7.690 1.00 0.00 H +ATOM 2985 H2 TIP3A 995 54.957 8.832 7.277 1.00 0.00 H +ATOM 2986 O1 TIP3A 996 56.306 14.468 50.276 1.00 0.00 O +ATOM 2987 H1 TIP3A 996 55.617 13.899 50.619 1.00 0.00 H +ATOM 2988 H2 TIP3A 996 55.971 14.767 49.430 1.00 0.00 H +ATOM 2989 O1 TIP3A 997 54.900 31.811 44.542 1.00 0.00 O +ATOM 2990 H1 TIP3A 997 54.753 31.419 43.682 1.00 0.00 H +ATOM 2991 H2 TIP3A 997 54.294 31.351 45.123 1.00 0.00 H +ATOM 2992 O1 TIP3A 998 22.012 13.676 28.118 1.00 0.00 O +ATOM 2993 H1 TIP3A 998 21.178 13.214 28.190 1.00 0.00 H +ATOM 2994 H2 TIP3A 998 22.583 13.241 28.753 1.00 0.00 H +ATOM 2995 O1 TIP3A 999 20.478 37.357 5.080 1.00 0.00 O +ATOM 2996 H1 TIP3A 999 21.430 37.438 5.055 1.00 0.00 H +ATOM 2997 H2 TIP3A 999 20.284 36.621 4.499 1.00 0.00 H +ATOM 2998 O1 TIP3A1000 14.236 25.062 21.981 1.00 0.00 O +ATOM 2999 H1 TIP3A1000 14.522 25.752 22.577 1.00 0.00 H +ATOM 3000 H2 TIP3A1000 13.516 24.629 22.442 1.00 0.00 H +ATOM 3001 O1 TIP3A1001 33.065 53.001 34.701 1.00 0.00 O +ATOM 3002 H1 TIP3A1001 33.166 52.090 34.428 1.00 0.00 H +ATOM 3003 H2 TIP3A1001 32.118 53.136 34.743 1.00 0.00 H +ATOM 3004 O1 TIP3A1002 54.312 36.243 26.004 1.00 0.00 O +ATOM 3005 H1 TIP3A1002 53.469 36.006 25.618 1.00 0.00 H +ATOM 3006 H2 TIP3A1002 54.085 36.753 26.782 1.00 0.00 H +ATOM 3007 O1 TIP3A1003 3.761 8.658 51.619 1.00 0.00 O +ATOM 3008 H1 TIP3A1003 4.413 7.989 51.822 1.00 0.00 H +ATOM 3009 H2 TIP3A1003 2.948 8.327 52.003 1.00 0.00 H +ATOM 3010 O1 TIP3A1004 20.429 22.043 48.010 1.00 0.00 O +ATOM 3011 H1 TIP3A1004 19.738 21.467 47.684 1.00 0.00 H +ATOM 3012 H2 TIP3A1004 20.109 22.927 47.828 1.00 0.00 H +ATOM 3013 O1 TIP3A1005 16.469 29.166 32.103 1.00 0.00 O +ATOM 3014 H1 TIP3A1005 17.325 28.904 32.440 1.00 0.00 H +ATOM 3015 H2 TIP3A1005 15.920 29.250 32.884 1.00 0.00 H +ATOM 3016 O1 TIP3A1006 45.798 19.346 40.418 1.00 0.00 O +ATOM 3017 H1 TIP3A1006 46.706 19.647 40.447 1.00 0.00 H +ATOM 3018 H2 TIP3A1006 45.337 19.916 41.035 1.00 0.00 H +ATOM 3019 O1 TIP3A1007 10.370 54.844 49.124 1.00 0.00 O +ATOM 3020 H1 TIP3A1007 10.020 54.854 48.234 1.00 0.00 H +ATOM 3021 H2 TIP3A1007 9.897 55.543 49.576 1.00 0.00 H +ATOM 3022 O1 TIP3A1008 2.387 10.973 39.919 1.00 0.00 O +ATOM 3023 H1 TIP3A1008 2.269 10.026 39.993 1.00 0.00 H +ATOM 3024 H2 TIP3A1008 1.629 11.270 39.415 1.00 0.00 H +ATOM 3025 O1 TIP3A1009 31.609 22.416 18.740 1.00 0.00 O +ATOM 3026 H1 TIP3A1009 31.339 22.823 17.917 1.00 0.00 H +ATOM 3027 H2 TIP3A1009 31.069 21.628 18.806 1.00 0.00 H +ATOM 3028 O1 TIP3A1010 36.674 39.901 8.723 1.00 0.00 O +ATOM 3029 H1 TIP3A1010 36.198 39.792 9.546 1.00 0.00 H +ATOM 3030 H2 TIP3A1010 36.670 39.029 8.327 1.00 0.00 H +ATOM 3031 O1 TIP3A1011 36.576 41.648 50.247 1.00 0.00 O +ATOM 3032 H1 TIP3A1011 36.398 42.138 51.050 1.00 0.00 H +ATOM 3033 H2 TIP3A1011 35.946 41.991 49.612 1.00 0.00 H +ATOM 3034 O1 TIP3A1012 32.940 3.667 31.009 1.00 0.00 O +ATOM 3035 H1 TIP3A1012 32.080 3.396 31.327 1.00 0.00 H +ATOM 3036 H2 TIP3A1012 32.971 4.610 31.175 1.00 0.00 H +ATOM 3037 O1 TIP3A1013 14.615 18.974 8.254 1.00 0.00 O +ATOM 3038 H1 TIP3A1013 15.505 18.626 8.251 1.00 0.00 H +ATOM 3039 H2 TIP3A1013 14.156 18.466 7.585 1.00 0.00 H +ATOM 3040 O1 TIP3A1014 19.635 49.655 26.432 1.00 0.00 O +ATOM 3041 H1 TIP3A1014 18.880 49.069 26.474 1.00 0.00 H +ATOM 3042 H2 TIP3A1014 19.428 50.263 25.722 1.00 0.00 H +ATOM 3043 O1 TIP3A1015 54.763 16.120 17.607 1.00 0.00 O +ATOM 3044 H1 TIP3A1015 53.915 15.679 17.603 1.00 0.00 H +ATOM 3045 H2 TIP3A1015 54.680 16.808 16.946 1.00 0.00 H +ATOM 3046 O1 TIP3A1016 39.623 29.253 49.545 1.00 0.00 O +ATOM 3047 H1 TIP3A1016 40.090 29.637 50.286 1.00 0.00 H +ATOM 3048 H2 TIP3A1016 40.015 28.386 49.437 1.00 0.00 H +ATOM 3049 O1 TIP3A1017 17.704 44.440 2.451 1.00 0.00 O +ATOM 3050 H1 TIP3A1017 17.118 44.960 1.903 1.00 0.00 H +ATOM 3051 H2 TIP3A1017 17.723 43.579 2.032 1.00 0.00 H +ATOM 3052 O1 TIP3A1018 42.646 38.066 28.066 1.00 0.00 O +ATOM 3053 H1 TIP3A1018 42.369 37.840 28.954 1.00 0.00 H +ATOM 3054 H2 TIP3A1018 41.848 38.376 27.637 1.00 0.00 H +ATOM 3055 O1 TIP3A1019 52.643 38.992 49.776 1.00 0.00 O +ATOM 3056 H1 TIP3A1019 53.476 39.459 49.717 1.00 0.00 H +ATOM 3057 H2 TIP3A1019 52.284 39.247 50.626 1.00 0.00 H +ATOM 3058 O1 TIP3A1020 54.261 38.554 33.316 1.00 0.00 O +ATOM 3059 H1 TIP3A1020 54.568 39.385 33.676 1.00 0.00 H +ATOM 3060 H2 TIP3A1020 53.760 38.154 34.027 1.00 0.00 H +ATOM 3061 O1 TIP3A1021 36.547 50.480 24.250 1.00 0.00 O +ATOM 3062 H1 TIP3A1021 36.993 49.646 24.110 1.00 0.00 H +ATOM 3063 H2 TIP3A1021 35.905 50.531 23.541 1.00 0.00 H +ATOM 3064 O1 TIP3A1022 46.081 23.677 47.296 1.00 0.00 O +ATOM 3065 H1 TIP3A1022 46.148 24.496 47.785 1.00 0.00 H +ATOM 3066 H2 TIP3A1022 45.170 23.404 47.408 1.00 0.00 H +ATOM 3067 O1 TIP3A1023 9.516 5.807 24.906 1.00 0.00 O +ATOM 3068 H1 TIP3A1023 10.462 5.749 25.033 1.00 0.00 H +ATOM 3069 H2 TIP3A1023 9.218 6.411 25.587 1.00 0.00 H +ATOM 3070 O1 TIP3A1024 22.145 34.793 16.018 1.00 0.00 O +ATOM 3071 H1 TIP3A1024 22.964 35.253 16.199 1.00 0.00 H +ATOM 3072 H2 TIP3A1024 22.416 33.905 15.780 1.00 0.00 H +ATOM 3073 O1 TIP3A1025 33.784 11.591 51.612 1.00 0.00 O +ATOM 3074 H1 TIP3A1025 34.186 11.498 52.475 1.00 0.00 H +ATOM 3075 H2 TIP3A1025 33.590 10.693 51.340 1.00 0.00 H +ATOM 3076 O1 TIP3A1026 15.755 57.505 52.566 1.00 0.00 O +ATOM 3077 H1 TIP3A1026 14.996 56.988 52.300 1.00 0.00 H +ATOM 3078 H2 TIP3A1026 16.239 56.932 53.162 1.00 0.00 H +ATOM 3079 O1 TIP3A1027 7.295 8.306 3.818 1.00 0.00 O +ATOM 3080 H1 TIP3A1027 6.895 9.155 3.632 1.00 0.00 H +ATOM 3081 H2 TIP3A1027 6.566 7.685 3.787 1.00 0.00 H +ATOM 3082 O1 TIP3A1028 6.873 55.418 18.767 1.00 0.00 O +ATOM 3083 H1 TIP3A1028 6.237 54.917 18.257 1.00 0.00 H +ATOM 3084 H2 TIP3A1028 6.990 56.231 18.273 1.00 0.00 H +ATOM 3085 O1 TIP3A1029 51.873 31.500 52.722 1.00 0.00 O +ATOM 3086 H1 TIP3A1029 51.392 31.814 51.957 1.00 0.00 H +ATOM 3087 H2 TIP3A1029 52.261 30.672 52.439 1.00 0.00 H +ATOM 3088 O1 TIP3A1030 30.584 28.229 41.370 1.00 0.00 O +ATOM 3089 H1 TIP3A1030 30.452 27.544 42.025 1.00 0.00 H +ATOM 3090 H2 TIP3A1030 30.893 27.762 40.593 1.00 0.00 H +ATOM 3091 O1 TIP3A1031 18.162 57.955 9.890 1.00 0.00 O +ATOM 3092 H1 TIP3A1031 17.346 57.664 10.297 1.00 0.00 H +ATOM 3093 H2 TIP3A1031 18.554 57.155 9.539 1.00 0.00 H +ATOM 3094 O1 TIP3A1032 42.001 45.643 23.299 1.00 0.00 O +ATOM 3095 H1 TIP3A1032 42.482 46.119 23.975 1.00 0.00 H +ATOM 3096 H2 TIP3A1032 42.117 44.720 23.526 1.00 0.00 H +ATOM 3097 O1 TIP3A1033 54.497 16.572 28.328 1.00 0.00 O +ATOM 3098 H1 TIP3A1033 54.067 17.387 28.072 1.00 0.00 H +ATOM 3099 H2 TIP3A1033 53.843 15.893 28.161 1.00 0.00 H +ATOM 3100 O1 TIP3A1034 21.237 56.423 4.471 1.00 0.00 O +ATOM 3101 H1 TIP3A1034 20.574 55.916 4.004 1.00 0.00 H +ATOM 3102 H2 TIP3A1034 21.751 56.840 3.780 1.00 0.00 H +ATOM 3103 O1 TIP3A1035 51.135 4.323 47.515 1.00 0.00 O +ATOM 3104 H1 TIP3A1035 51.640 4.257 46.705 1.00 0.00 H +ATOM 3105 H2 TIP3A1035 51.200 5.246 47.764 1.00 0.00 H +ATOM 3106 O1 TIP3A1036 8.451 42.968 49.665 1.00 0.00 O +ATOM 3107 H1 TIP3A1036 8.776 43.848 49.481 1.00 0.00 H +ATOM 3108 H2 TIP3A1036 9.033 42.388 49.173 1.00 0.00 H +ATOM 3109 O1 TIP3A1037 43.643 57.049 16.945 1.00 0.00 O +ATOM 3110 H1 TIP3A1037 44.393 56.923 16.365 1.00 0.00 H +ATOM 3111 H2 TIP3A1037 44.000 57.514 17.702 1.00 0.00 H +ATOM 3112 O1 TIP3A1038 4.085 36.875 52.429 1.00 0.00 O +ATOM 3113 H1 TIP3A1038 4.040 37.789 52.706 1.00 0.00 H +ATOM 3114 H2 TIP3A1038 3.170 36.601 52.357 1.00 0.00 H +ATOM 3115 O1 TIP3A1039 51.758 40.581 12.810 1.00 0.00 O +ATOM 3116 H1 TIP3A1039 51.816 39.677 13.118 1.00 0.00 H +ATOM 3117 H2 TIP3A1039 50.821 40.777 12.818 1.00 0.00 H +ATOM 3118 O1 TIP3A1040 16.822 48.144 9.625 1.00 0.00 O +ATOM 3119 H1 TIP3A1040 17.521 47.673 9.172 1.00 0.00 H +ATOM 3120 H2 TIP3A1040 17.279 48.703 10.255 1.00 0.00 H +ATOM 3121 O1 TIP3A1041 17.320 16.461 11.772 1.00 0.00 O +ATOM 3122 H1 TIP3A1041 18.144 16.181 11.374 1.00 0.00 H +ATOM 3123 H2 TIP3A1041 17.544 17.259 12.251 1.00 0.00 H +ATOM 3124 O1 TIP3A1042 9.442 6.529 6.783 1.00 0.00 O +ATOM 3125 H1 TIP3A1042 8.826 6.060 6.223 1.00 0.00 H +ATOM 3126 H2 TIP3A1042 9.120 7.431 6.793 1.00 0.00 H +ATOM 3127 O1 TIP3A1043 0.488 27.523 22.468 1.00 0.00 O +ATOM 3128 H1 TIP3A1043 -0.016 26.710 22.481 1.00 0.00 H +ATOM 3129 H2 TIP3A1043 0.002 28.097 21.875 1.00 0.00 H +ATOM 3130 O1 TIP3A1044 57.456 19.929 37.609 1.00 0.00 O +ATOM 3131 H1 TIP3A1044 58.027 19.176 37.463 1.00 0.00 H +ATOM 3132 H2 TIP3A1044 58.017 20.577 38.035 1.00 0.00 H +ATOM 3133 O1 TIP3A1045 22.064 37.165 54.480 1.00 0.00 O +ATOM 3134 H1 TIP3A1045 21.649 36.360 54.789 1.00 0.00 H +ATOM 3135 H2 TIP3A1045 22.082 37.736 55.249 1.00 0.00 H +ATOM 3136 O1 TIP3A1046 11.674 19.611 26.082 1.00 0.00 O +ATOM 3137 H1 TIP3A1046 11.964 20.522 26.120 1.00 0.00 H +ATOM 3138 H2 TIP3A1046 11.985 19.295 25.233 1.00 0.00 H +ATOM 3139 O1 TIP3A1047 28.045 46.633 52.489 1.00 0.00 O +ATOM 3140 H1 TIP3A1047 28.218 47.440 52.005 1.00 0.00 H +ATOM 3141 H2 TIP3A1047 27.192 46.776 52.899 1.00 0.00 H +ATOM 3142 O1 TIP3A1048 14.852 29.805 39.739 1.00 0.00 O +ATOM 3143 H1 TIP3A1048 14.421 30.639 39.925 1.00 0.00 H +ATOM 3144 H2 TIP3A1048 14.196 29.142 39.957 1.00 0.00 H +ATOM 3145 O1 TIP3A1049 10.682 48.746 16.047 1.00 0.00 O +ATOM 3146 H1 TIP3A1049 10.697 49.517 16.615 1.00 0.00 H +ATOM 3147 H2 TIP3A1049 9.993 48.192 16.413 1.00 0.00 H +ATOM 3148 O1 TIP3A1050 55.158 13.802 12.906 1.00 0.00 O +ATOM 3149 H1 TIP3A1050 54.439 13.896 13.530 1.00 0.00 H +ATOM 3150 H2 TIP3A1050 55.679 13.074 13.247 1.00 0.00 H +ATOM 3151 O1 TIP3A1051 40.491 33.772 17.939 1.00 0.00 O +ATOM 3152 H1 TIP3A1051 40.186 34.025 18.810 1.00 0.00 H +ATOM 3153 H2 TIP3A1051 40.364 34.556 17.403 1.00 0.00 H +ATOM 3154 O1 TIP3A1052 19.911 39.478 13.486 1.00 0.00 O +ATOM 3155 H1 TIP3A1052 20.344 40.330 13.460 1.00 0.00 H +ATOM 3156 H2 TIP3A1052 20.384 38.948 12.844 1.00 0.00 H +ATOM 3157 O1 TIP3A1053 9.500 49.515 5.592 1.00 0.00 O +ATOM 3158 H1 TIP3A1053 9.070 50.369 5.591 1.00 0.00 H +ATOM 3159 H2 TIP3A1053 8.820 48.903 5.308 1.00 0.00 H +ATOM 3160 O1 TIP3A1054 41.255 27.164 3.792 1.00 0.00 O +ATOM 3161 H1 TIP3A1054 41.202 28.119 3.792 1.00 0.00 H +ATOM 3162 H2 TIP3A1054 40.629 26.888 4.462 1.00 0.00 H +ATOM 3163 O1 TIP3A1055 8.221 16.087 47.898 1.00 0.00 O +ATOM 3164 H1 TIP3A1055 8.645 15.969 47.050 1.00 0.00 H +ATOM 3165 H2 TIP3A1055 8.659 16.847 48.282 1.00 0.00 H +ATOM 3166 O1 TIP3A1056 48.239 44.784 6.324 1.00 0.00 O +ATOM 3167 H1 TIP3A1056 47.955 43.921 6.624 1.00 0.00 H +ATOM 3168 H2 TIP3A1056 47.593 45.389 6.690 1.00 0.00 H +ATOM 3169 O1 TIP3A1057 28.542 6.305 19.386 1.00 0.00 O +ATOM 3170 H1 TIP3A1057 29.494 6.218 19.372 1.00 0.00 H +ATOM 3171 H2 TIP3A1057 28.368 6.928 20.092 1.00 0.00 H +ATOM 3172 O1 TIP3A1058 20.077 6.102 45.179 1.00 0.00 O +ATOM 3173 H1 TIP3A1058 20.713 6.213 44.473 1.00 0.00 H +ATOM 3174 H2 TIP3A1058 20.568 5.669 45.879 1.00 0.00 H +ATOM 3175 O1 TIP3A1059 16.307 4.251 12.808 1.00 0.00 O +ATOM 3176 H1 TIP3A1059 16.015 3.357 12.633 1.00 0.00 H +ATOM 3177 H2 TIP3A1059 16.223 4.351 13.757 1.00 0.00 H +ATOM 3178 O1 TIP3A1060 57.813 55.611 0.958 1.00 0.00 O +ATOM 3179 H1 TIP3A1060 57.107 55.246 0.425 1.00 0.00 H +ATOM 3180 H2 TIP3A1060 57.468 55.605 1.851 1.00 0.00 H +ATOM 3181 O1 TIP3A1061 0.727 18.268 9.839 1.00 0.00 O +ATOM 3182 H1 TIP3A1061 1.220 18.640 10.569 1.00 0.00 H +ATOM 3183 H2 TIP3A1061 1.364 18.205 9.126 1.00 0.00 H +ATOM 3184 O1 TIP3A1062 54.537 5.811 21.327 1.00 0.00 O +ATOM 3185 H1 TIP3A1062 55.185 6.507 21.229 1.00 0.00 H +ATOM 3186 H2 TIP3A1062 54.819 5.132 20.714 1.00 0.00 H +ATOM 3187 O1 TIP3A1063 3.178 26.585 46.672 1.00 0.00 O +ATOM 3188 H1 TIP3A1063 2.309 26.985 46.667 1.00 0.00 H +ATOM 3189 H2 TIP3A1063 3.422 26.553 47.597 1.00 0.00 H +ATOM 3190 O1 TIP3A1064 37.705 10.714 48.933 1.00 0.00 O +ATOM 3191 H1 TIP3A1064 38.271 11.051 49.627 1.00 0.00 H +ATOM 3192 H2 TIP3A1064 37.426 9.853 49.247 1.00 0.00 H +ATOM 3193 O1 TIP3A1065 43.716 35.473 39.475 1.00 0.00 O +ATOM 3194 H1 TIP3A1065 43.914 35.396 38.542 1.00 0.00 H +ATOM 3195 H2 TIP3A1065 44.221 34.770 39.886 1.00 0.00 H +ATOM 3196 O1 TIP3A1066 19.538 31.414 49.696 1.00 0.00 O +ATOM 3197 H1 TIP3A1066 18.912 31.207 50.389 1.00 0.00 H +ATOM 3198 H2 TIP3A1066 20.281 30.833 49.862 1.00 0.00 H +ATOM 3199 O1 TIP3A1067 43.626 42.518 23.494 1.00 0.00 O +ATOM 3200 H1 TIP3A1067 43.358 41.728 23.962 1.00 0.00 H +ATOM 3201 H2 TIP3A1067 44.505 42.319 23.170 1.00 0.00 H +ATOM 3202 O1 TIP3A1068 19.486 50.779 28.319 1.00 0.00 O +ATOM 3203 H1 TIP3A1068 19.739 51.537 28.845 1.00 0.00 H +ATOM 3204 H2 TIP3A1068 18.607 50.555 28.627 1.00 0.00 H +ATOM 3205 O1 TIP3A1069 32.112 28.357 23.676 1.00 0.00 O +ATOM 3206 H1 TIP3A1069 31.528 27.898 24.280 1.00 0.00 H +ATOM 3207 H2 TIP3A1069 32.840 28.651 24.224 1.00 0.00 H +ATOM 3208 O1 TIP3A1070 4.764 26.490 19.245 1.00 0.00 O +ATOM 3209 H1 TIP3A1070 4.525 25.953 20.000 1.00 0.00 H +ATOM 3210 H2 TIP3A1070 3.945 26.605 18.763 1.00 0.00 H +ATOM 3211 O1 TIP3A1071 32.184 25.872 0.607 1.00 0.00 O +ATOM 3212 H1 TIP3A1071 31.974 24.960 0.410 1.00 0.00 H +ATOM 3213 H2 TIP3A1071 32.958 26.060 0.075 1.00 0.00 H +ATOM 3214 O1 TIP3A1072 48.720 24.737 30.964 1.00 0.00 O +ATOM 3215 H1 TIP3A1072 47.832 25.092 30.987 1.00 0.00 H +ATOM 3216 H2 TIP3A1072 48.706 24.015 31.593 1.00 0.00 H +ATOM 3217 O1 TIP3A1073 50.631 16.395 10.409 1.00 0.00 O +ATOM 3218 H1 TIP3A1073 51.399 15.862 10.207 1.00 0.00 H +ATOM 3219 H2 TIP3A1073 50.940 17.299 10.341 1.00 0.00 H +ATOM 3220 O1 TIP3A1074 11.490 8.062 25.886 1.00 0.00 O +ATOM 3221 H1 TIP3A1074 11.156 7.453 26.544 1.00 0.00 H +ATOM 3222 H2 TIP3A1074 12.432 7.897 25.861 1.00 0.00 H +ATOM 3223 O1 TIP3A1075 40.268 28.191 53.961 1.00 0.00 O +ATOM 3224 H1 TIP3A1075 39.489 28.661 53.666 1.00 0.00 H +ATOM 3225 H2 TIP3A1075 40.940 28.868 54.042 1.00 0.00 H +ATOM 3226 O1 TIP3A1076 33.380 53.515 21.124 1.00 0.00 O +ATOM 3227 H1 TIP3A1076 34.262 53.589 21.487 1.00 0.00 H +ATOM 3228 H2 TIP3A1076 32.804 53.799 21.835 1.00 0.00 H +ATOM 3229 O1 TIP3A1077 32.819 13.247 31.303 1.00 0.00 O +ATOM 3230 H1 TIP3A1077 33.561 12.834 30.862 1.00 0.00 H +ATOM 3231 H2 TIP3A1077 32.946 13.043 32.230 1.00 0.00 H +ATOM 3232 O1 TIP3A1078 19.399 22.542 37.365 1.00 0.00 O +ATOM 3233 H1 TIP3A1078 20.133 23.052 37.706 1.00 0.00 H +ATOM 3234 H2 TIP3A1078 18.707 22.651 38.018 1.00 0.00 H +ATOM 3235 O1 TIP3A1079 1.038 53.261 40.079 1.00 0.00 O +ATOM 3236 H1 TIP3A1079 0.813 53.092 40.994 1.00 0.00 H +ATOM 3237 H2 TIP3A1079 0.197 53.425 39.651 1.00 0.00 H +ATOM 3238 O1 TIP3A1080 35.273 6.853 44.630 1.00 0.00 O +ATOM 3239 H1 TIP3A1080 35.487 6.001 45.009 1.00 0.00 H +ATOM 3240 H2 TIP3A1080 35.944 6.994 43.962 1.00 0.00 H +ATOM 3241 O1 TIP3A1081 43.328 30.432 50.973 1.00 0.00 O +ATOM 3242 H1 TIP3A1081 43.234 30.948 51.773 1.00 0.00 H +ATOM 3243 H2 TIP3A1081 42.988 31.000 50.280 1.00 0.00 H +ATOM 3244 O1 TIP3A1082 55.604 9.872 39.263 1.00 0.00 O +ATOM 3245 H1 TIP3A1082 56.524 10.069 39.435 1.00 0.00 H +ATOM 3246 H2 TIP3A1082 55.622 9.267 38.521 1.00 0.00 H +ATOM 3247 O1 TIP3A1083 14.043 8.126 49.855 1.00 0.00 O +ATOM 3248 H1 TIP3A1083 14.477 8.121 49.002 1.00 0.00 H +ATOM 3249 H2 TIP3A1083 14.719 7.838 50.469 1.00 0.00 H +ATOM 3250 O1 TIP3A1084 33.098 26.149 20.994 1.00 0.00 O +ATOM 3251 H1 TIP3A1084 32.909 27.085 21.045 1.00 0.00 H +ATOM 3252 H2 TIP3A1084 32.427 25.738 21.540 1.00 0.00 H +ATOM 3253 O1 TIP3A1085 35.967 34.289 11.274 1.00 0.00 O +ATOM 3254 H1 TIP3A1085 36.476 34.116 12.065 1.00 0.00 H +ATOM 3255 H2 TIP3A1085 35.267 33.635 11.291 1.00 0.00 H +ATOM 3256 O1 TIP3A1086 56.171 20.182 29.002 1.00 0.00 O +ATOM 3257 H1 TIP3A1086 56.040 20.294 28.061 1.00 0.00 H +ATOM 3258 H2 TIP3A1086 55.748 20.945 29.396 1.00 0.00 H +ATOM 3259 O1 TIP3A1087 22.266 40.874 17.135 1.00 0.00 O +ATOM 3260 H1 TIP3A1087 21.487 40.860 17.690 1.00 0.00 H +ATOM 3261 H2 TIP3A1087 22.994 40.726 17.738 1.00 0.00 H +ATOM 3262 O1 TIP3A1088 44.520 6.498 11.463 1.00 0.00 O +ATOM 3263 H1 TIP3A1088 45.475 6.447 11.451 1.00 0.00 H +ATOM 3264 H2 TIP3A1088 44.246 6.048 10.664 1.00 0.00 H +ATOM 3265 O1 TIP3A1089 51.840 23.885 52.170 1.00 0.00 O +ATOM 3266 H1 TIP3A1089 52.069 24.699 51.723 1.00 0.00 H +ATOM 3267 H2 TIP3A1089 50.919 23.740 51.948 1.00 0.00 H +ATOM 3268 O1 TIP3A1090 15.501 52.034 21.780 1.00 0.00 O +ATOM 3269 H1 TIP3A1090 15.452 52.815 22.330 1.00 0.00 H +ATOM 3270 H2 TIP3A1090 15.879 52.345 20.956 1.00 0.00 H +ATOM 3271 O1 TIP3A1091 5.520 47.001 23.250 1.00 0.00 O +ATOM 3272 H1 TIP3A1091 5.278 46.093 23.425 1.00 0.00 H +ATOM 3273 H2 TIP3A1091 4.976 47.256 22.505 1.00 0.00 H +ATOM 3274 O1 TIP3A1092 55.669 46.076 8.574 1.00 0.00 O +ATOM 3275 H1 TIP3A1092 56.410 45.483 8.458 1.00 0.00 H +ATOM 3276 H2 TIP3A1092 54.904 45.557 8.325 1.00 0.00 H +ATOM 3277 O1 TIP3A1093 26.638 43.956 23.254 1.00 0.00 O +ATOM 3278 H1 TIP3A1093 27.579 44.122 23.304 1.00 0.00 H +ATOM 3279 H2 TIP3A1093 26.261 44.508 23.941 1.00 0.00 H +ATOM 3280 O1 TIP3A1094 26.949 33.329 3.854 1.00 0.00 O +ATOM 3281 H1 TIP3A1094 26.885 34.219 3.510 1.00 0.00 H +ATOM 3282 H2 TIP3A1094 27.890 33.165 3.920 1.00 0.00 H +ATOM 3283 O1 TIP3A1095 9.494 14.938 19.900 1.00 0.00 O +ATOM 3284 H1 TIP3A1095 9.968 15.765 19.821 1.00 0.00 H +ATOM 3285 H2 TIP3A1095 9.937 14.348 19.290 1.00 0.00 H +ATOM 3286 O1 TIP3A1096 3.308 8.578 15.021 1.00 0.00 O +ATOM 3287 H1 TIP3A1096 3.020 9.456 15.272 1.00 0.00 H +ATOM 3288 H2 TIP3A1096 4.239 8.558 15.246 1.00 0.00 H +ATOM 3289 O1 TIP3A1097 27.351 49.506 36.929 1.00 0.00 O +ATOM 3290 H1 TIP3A1097 26.501 49.939 36.863 1.00 0.00 H +ATOM 3291 H2 TIP3A1097 27.953 50.085 36.459 1.00 0.00 H +ATOM 3292 O1 TIP3A1098 7.546 10.220 29.258 1.00 0.00 O +ATOM 3293 H1 TIP3A1098 7.602 11.126 28.956 1.00 0.00 H +ATOM 3294 H2 TIP3A1098 6.852 10.228 29.917 1.00 0.00 H +ATOM 3295 O1 TIP3A1099 55.029 17.937 2.859 1.00 0.00 O +ATOM 3296 H1 TIP3A1099 54.225 17.419 2.872 1.00 0.00 H +ATOM 3297 H2 TIP3A1099 55.587 17.530 3.523 1.00 0.00 H +ATOM 3298 O1 TIP3A1100 5.681 32.140 6.747 1.00 0.00 O +ATOM 3299 H1 TIP3A1100 4.976 32.696 7.077 1.00 0.00 H +ATOM 3300 H2 TIP3A1100 5.383 31.247 6.919 1.00 0.00 H +ATOM 3301 O1 TIP3A1101 20.483 14.067 40.850 1.00 0.00 O +ATOM 3302 H1 TIP3A1101 20.648 13.555 40.059 1.00 0.00 H +ATOM 3303 H2 TIP3A1101 20.463 14.976 40.547 1.00 0.00 H +ATOM 3304 O1 TIP3A1102 56.146 19.919 34.306 1.00 0.00 O +ATOM 3305 H1 TIP3A1102 56.603 20.632 33.860 1.00 0.00 H +ATOM 3306 H2 TIP3A1102 56.633 19.131 34.061 1.00 0.00 H +ATOM 3307 O1 TIP3A1103 36.933 24.563 52.866 1.00 0.00 O +ATOM 3308 H1 TIP3A1103 37.000 25.409 52.424 1.00 0.00 H +ATOM 3309 H2 TIP3A1103 36.107 24.193 52.552 1.00 0.00 H +ATOM 3310 O1 TIP3A1104 19.355 46.243 33.928 1.00 0.00 O +ATOM 3311 H1 TIP3A1104 19.083 45.356 34.161 1.00 0.00 H +ATOM 3312 H2 TIP3A1104 18.540 46.695 33.710 1.00 0.00 H +ATOM 3313 O1 TIP3A1105 20.149 53.814 57.398 1.00 0.00 O +ATOM 3314 H1 TIP3A1105 20.690 54.602 57.423 1.00 0.00 H +ATOM 3315 H2 TIP3A1105 19.442 53.988 58.021 1.00 0.00 H +ATOM 3316 O1 TIP3A1106 35.863 7.676 14.859 1.00 0.00 O +ATOM 3317 H1 TIP3A1106 36.737 7.840 14.505 1.00 0.00 H +ATOM 3318 H2 TIP3A1106 35.726 6.736 14.734 1.00 0.00 H +ATOM 3319 O1 TIP3A1107 19.891 54.783 12.933 1.00 0.00 O +ATOM 3320 H1 TIP3A1107 19.882 54.450 12.036 1.00 0.00 H +ATOM 3321 H2 TIP3A1107 20.726 55.248 13.008 1.00 0.00 H +ATOM 3322 O1 TIP3A1108 52.308 36.415 18.615 1.00 0.00 O +ATOM 3323 H1 TIP3A1108 51.732 37.175 18.541 1.00 0.00 H +ATOM 3324 H2 TIP3A1108 52.526 36.368 19.546 1.00 0.00 H +ATOM 3325 O1 TIP3A1109 41.012 15.356 46.919 1.00 0.00 O +ATOM 3326 H1 TIP3A1109 41.360 15.905 46.217 1.00 0.00 H +ATOM 3327 H2 TIP3A1109 41.162 15.862 47.718 1.00 0.00 H +ATOM 3328 O1 TIP3A1110 14.016 43.473 33.595 1.00 0.00 O +ATOM 3329 H1 TIP3A1110 13.766 44.087 34.285 1.00 0.00 H +ATOM 3330 H2 TIP3A1110 14.677 43.941 33.084 1.00 0.00 H +ATOM 3331 O1 TIP3A1111 2.514 1.571 32.810 1.00 0.00 O +ATOM 3332 H1 TIP3A1111 2.463 0.880 33.469 1.00 0.00 H +ATOM 3333 H2 TIP3A1111 3.309 2.057 33.033 1.00 0.00 H +ATOM 3334 O1 TIP3A1112 50.581 8.938 25.466 1.00 0.00 O +ATOM 3335 H1 TIP3A1112 49.887 8.284 25.393 1.00 0.00 H +ATOM 3336 H2 TIP3A1112 51.059 8.873 24.638 1.00 0.00 H +ATOM 3337 O1 TIP3A1113 50.030 42.239 42.598 1.00 0.00 O +ATOM 3338 H1 TIP3A1113 50.709 42.177 43.269 1.00 0.00 H +ATOM 3339 H2 TIP3A1113 49.323 42.730 43.017 1.00 0.00 H +ATOM 3340 O1 TIP3A1114 52.584 49.927 5.303 1.00 0.00 O +ATOM 3341 H1 TIP3A1114 52.789 49.122 5.778 1.00 0.00 H +ATOM 3342 H2 TIP3A1114 52.677 49.690 4.379 1.00 0.00 H +ATOM 3343 O1 TIP3A1115 1.862 44.449 50.032 1.00 0.00 O +ATOM 3344 H1 TIP3A1115 1.968 44.481 50.982 1.00 0.00 H +ATOM 3345 H2 TIP3A1115 1.385 43.635 49.870 1.00 0.00 H +ATOM 3346 O1 TIP3A1116 7.139 15.303 20.585 1.00 0.00 O +ATOM 3347 H1 TIP3A1116 7.244 15.719 21.440 1.00 0.00 H +ATOM 3348 H2 TIP3A1116 6.191 15.251 20.459 1.00 0.00 H +ATOM 3349 O1 TIP3A1117 52.405 57.320 10.581 1.00 0.00 O +ATOM 3350 H1 TIP3A1117 51.862 57.028 9.850 1.00 0.00 H +ATOM 3351 H2 TIP3A1117 53.204 57.651 10.171 1.00 0.00 H +ATOM 3352 O1 TIP3A1118 11.213 13.701 57.941 1.00 0.00 O +ATOM 3353 H1 TIP3A1118 11.967 13.532 57.378 1.00 0.00 H +ATOM 3354 H2 TIP3A1118 10.734 14.402 57.498 1.00 0.00 H +ATOM 3355 O1 TIP3A1119 51.051 45.808 55.261 1.00 0.00 O +ATOM 3356 H1 TIP3A1119 50.567 45.549 56.044 1.00 0.00 H +ATOM 3357 H2 TIP3A1119 50.735 45.216 54.577 1.00 0.00 H +ATOM 3358 O1 TIP3A1120 55.063 7.532 58.000 1.00 0.00 O +ATOM 3359 H1 TIP3A1120 54.694 7.528 57.118 1.00 0.00 H +ATOM 3360 H2 TIP3A1120 55.819 6.947 57.947 1.00 0.00 H +ATOM 3361 O1 TIP3A1121 17.688 16.071 4.565 1.00 0.00 O +ATOM 3362 H1 TIP3A1121 18.051 15.186 4.578 1.00 0.00 H +ATOM 3363 H2 TIP3A1121 16.846 15.980 4.118 1.00 0.00 H +ATOM 3364 O1 TIP3A1122 25.953 10.449 36.583 1.00 0.00 O +ATOM 3365 H1 TIP3A1122 25.847 10.895 37.423 1.00 0.00 H +ATOM 3366 H2 TIP3A1122 26.481 11.050 36.057 1.00 0.00 H +ATOM 3367 O1 TIP3A1123 8.662 44.370 56.693 1.00 0.00 O +ATOM 3368 H1 TIP3A1123 7.917 43.789 56.546 1.00 0.00 H +ATOM 3369 H2 TIP3A1123 9.102 44.008 57.463 1.00 0.00 H +ATOM 3370 O1 TIP3A1124 31.528 21.771 28.226 1.00 0.00 O +ATOM 3371 H1 TIP3A1124 30.649 21.412 28.340 1.00 0.00 H +ATOM 3372 H2 TIP3A1124 32.084 21.224 28.782 1.00 0.00 H +ATOM 3373 O1 TIP3A1125 42.343 56.315 56.470 1.00 0.00 O +ATOM 3374 H1 TIP3A1125 42.348 55.556 55.887 1.00 0.00 H +ATOM 3375 H2 TIP3A1125 43.255 56.411 56.746 1.00 0.00 H +ATOM 3376 O1 TIP3A1126 35.479 25.974 54.905 1.00 0.00 O +ATOM 3377 H1 TIP3A1126 36.017 26.335 54.201 1.00 0.00 H +ATOM 3378 H2 TIP3A1126 35.992 26.126 55.700 1.00 0.00 H +ATOM 3379 O1 TIP3A1127 17.273 21.307 31.824 1.00 0.00 O +ATOM 3380 H1 TIP3A1127 16.605 21.050 32.459 1.00 0.00 H +ATOM 3381 H2 TIP3A1127 16.803 21.364 30.992 1.00 0.00 H +ATOM 3382 O1 TIP3A1128 15.932 55.269 48.474 1.00 0.00 O +ATOM 3383 H1 TIP3A1128 14.992 55.428 48.547 1.00 0.00 H +ATOM 3384 H2 TIP3A1128 16.116 54.604 49.138 1.00 0.00 H +ATOM 3385 O1 TIP3A1129 50.749 36.371 26.894 1.00 0.00 O +ATOM 3386 H1 TIP3A1129 51.312 37.022 27.313 1.00 0.00 H +ATOM 3387 H2 TIP3A1129 50.867 36.520 25.955 1.00 0.00 H +ATOM 3388 O1 TIP3A1130 7.421 32.217 19.990 1.00 0.00 O +ATOM 3389 H1 TIP3A1130 6.473 32.094 20.007 1.00 0.00 H +ATOM 3390 H2 TIP3A1130 7.750 31.651 20.688 1.00 0.00 H +ATOM 3391 O1 TIP3A1131 44.753 9.978 50.488 1.00 0.00 O +ATOM 3392 H1 TIP3A1131 45.335 10.441 49.886 1.00 0.00 H +ATOM 3393 H2 TIP3A1131 44.277 10.672 50.944 1.00 0.00 H +ATOM 3394 O1 TIP3A1132 25.115 36.685 15.225 1.00 0.00 O +ATOM 3395 H1 TIP3A1132 25.265 36.929 16.137 1.00 0.00 H +ATOM 3396 H2 TIP3A1132 25.504 37.397 14.718 1.00 0.00 H +ATOM 3397 O1 TIP3A1133 24.361 50.207 27.408 1.00 0.00 O +ATOM 3398 H1 TIP3A1133 24.161 51.134 27.283 1.00 0.00 H +ATOM 3399 H2 TIP3A1133 24.646 49.905 26.545 1.00 0.00 H +ATOM 3400 O1 TIP3A1134 46.063 33.125 7.719 1.00 0.00 O +ATOM 3401 H1 TIP3A1134 46.408 32.670 8.487 1.00 0.00 H +ATOM 3402 H2 TIP3A1134 45.123 33.201 7.887 1.00 0.00 H +ATOM 3403 O1 TIP3A1135 2.869 18.308 53.131 1.00 0.00 O +ATOM 3404 H1 TIP3A1135 3.605 18.068 52.569 1.00 0.00 H +ATOM 3405 H2 TIP3A1135 2.095 18.181 52.581 1.00 0.00 H +ATOM 3406 O1 TIP3A1136 35.507 48.450 10.614 1.00 0.00 O +ATOM 3407 H1 TIP3A1136 35.759 49.117 11.251 1.00 0.00 H +ATOM 3408 H2 TIP3A1136 36.308 47.947 10.463 1.00 0.00 H +ATOM 3409 O1 TIP3A1137 32.843 28.807 41.396 1.00 0.00 O +ATOM 3410 H1 TIP3A1137 32.531 29.564 40.902 1.00 0.00 H +ATOM 3411 H2 TIP3A1137 32.492 28.935 42.278 1.00 0.00 H +ATOM 3412 O1 TIP3A1138 44.534 44.850 53.596 1.00 0.00 O +ATOM 3413 H1 TIP3A1138 44.004 45.640 53.491 1.00 0.00 H +ATOM 3414 H2 TIP3A1138 44.245 44.476 54.430 1.00 0.00 H +ATOM 3415 O1 TIP3A1139 5.273 30.668 53.009 1.00 0.00 O +ATOM 3416 H1 TIP3A1139 6.099 30.945 53.405 1.00 0.00 H +ATOM 3417 H2 TIP3A1139 5.050 29.855 53.464 1.00 0.00 H +ATOM 3418 O1 TIP3A1140 30.545 38.282 13.145 1.00 0.00 O +ATOM 3419 H1 TIP3A1140 30.737 37.381 12.887 1.00 0.00 H +ATOM 3420 H2 TIP3A1140 29.918 38.591 12.490 1.00 0.00 H +ATOM 3421 O1 TIP3A1141 44.876 36.796 29.514 1.00 0.00 O +ATOM 3422 H1 TIP3A1141 45.580 37.439 29.594 1.00 0.00 H +ATOM 3423 H2 TIP3A1141 44.469 36.990 28.669 1.00 0.00 H +ATOM 3424 O1 TIP3A1142 30.973 2.367 7.523 1.00 0.00 O +ATOM 3425 H1 TIP3A1142 30.265 2.764 7.018 1.00 0.00 H +ATOM 3426 H2 TIP3A1142 31.136 1.529 7.090 1.00 0.00 H +ATOM 3427 O1 TIP3A1143 48.926 27.402 27.566 1.00 0.00 O +ATOM 3428 H1 TIP3A1143 48.643 28.157 28.081 1.00 0.00 H +ATOM 3429 H2 TIP3A1143 49.506 27.769 26.898 1.00 0.00 H +ATOM 3430 O1 TIP3A1144 46.124 50.698 31.232 1.00 0.00 O +ATOM 3431 H1 TIP3A1144 45.931 51.634 31.284 1.00 0.00 H +ATOM 3432 H2 TIP3A1144 46.578 50.593 30.395 1.00 0.00 H +ATOM 3433 O1 TIP3A1145 29.835 30.884 36.434 1.00 0.00 O +ATOM 3434 H1 TIP3A1145 30.050 31.815 36.450 1.00 0.00 H +ATOM 3435 H2 TIP3A1145 29.131 30.789 37.077 1.00 0.00 H +ATOM 3436 O1 TIP3A1146 5.776 46.663 4.053 1.00 0.00 O +ATOM 3437 H1 TIP3A1146 6.110 45.875 4.480 1.00 0.00 H +ATOM 3438 H2 TIP3A1146 6.527 47.014 3.575 1.00 0.00 H +ATOM 3439 O1 TIP3A1147 11.474 44.596 52.482 1.00 0.00 O +ATOM 3440 H1 TIP3A1147 12.042 43.863 52.715 1.00 0.00 H +ATOM 3441 H2 TIP3A1147 10.701 44.187 52.091 1.00 0.00 H +ATOM 3442 O1 TIP3A1148 38.720 25.267 44.309 1.00 0.00 O +ATOM 3443 H1 TIP3A1148 39.077 25.275 45.197 1.00 0.00 H +ATOM 3444 H2 TIP3A1148 39.109 26.034 43.887 1.00 0.00 H +ATOM 3445 O1 TIP3A1149 34.076 52.288 26.963 1.00 0.00 O +ATOM 3446 H1 TIP3A1149 33.194 51.946 26.818 1.00 0.00 H +ATOM 3447 H2 TIP3A1149 33.959 52.989 27.605 1.00 0.00 H +ATOM 3448 O1 TIP3A1150 36.409 12.529 16.271 1.00 0.00 O +ATOM 3449 H1 TIP3A1150 36.741 13.361 15.934 1.00 0.00 H +ATOM 3450 H2 TIP3A1150 36.476 12.612 17.223 1.00 0.00 H +ATOM 3451 O1 TIP3A1151 13.311 23.024 45.677 1.00 0.00 O +ATOM 3452 H1 TIP3A1151 12.385 23.262 45.638 1.00 0.00 H +ATOM 3453 H2 TIP3A1151 13.732 23.593 45.032 1.00 0.00 H +ATOM 3454 O1 TIP3A1152 21.936 37.841 15.540 1.00 0.00 O +ATOM 3455 H1 TIP3A1152 21.026 37.661 15.773 1.00 0.00 H +ATOM 3456 H2 TIP3A1152 21.961 37.759 14.586 1.00 0.00 H +ATOM 3457 O1 TIP3A1153 22.573 16.115 7.487 1.00 0.00 O +ATOM 3458 H1 TIP3A1153 22.505 16.918 6.972 1.00 0.00 H +ATOM 3459 H2 TIP3A1153 23.311 15.643 7.101 1.00 0.00 H +ATOM 3460 O1 TIP3A1154 4.978 52.868 9.065 1.00 0.00 O +ATOM 3461 H1 TIP3A1154 4.101 52.704 8.721 1.00 0.00 H +ATOM 3462 H2 TIP3A1154 4.995 52.412 9.907 1.00 0.00 H +ATOM 3463 O1 TIP3A1155 19.987 57.634 36.777 1.00 0.00 O +ATOM 3464 H1 TIP3A1155 19.668 57.399 37.648 1.00 0.00 H +ATOM 3465 H2 TIP3A1155 19.587 56.989 36.193 1.00 0.00 H +ATOM 3466 O1 TIP3A1156 29.356 31.166 45.750 1.00 0.00 O +ATOM 3467 H1 TIP3A1156 28.874 30.889 44.972 1.00 0.00 H +ATOM 3468 H2 TIP3A1156 29.494 30.359 46.247 1.00 0.00 H +ATOM 3469 O1 TIP3A1157 32.886 34.068 18.559 1.00 0.00 O +ATOM 3470 H1 TIP3A1157 33.221 34.658 19.233 1.00 0.00 H +ATOM 3471 H2 TIP3A1157 32.011 34.403 18.360 1.00 0.00 H +ATOM 3472 O1 TIP3A1158 27.383 24.280 7.259 1.00 0.00 O +ATOM 3473 H1 TIP3A1158 26.802 23.527 7.155 1.00 0.00 H +ATOM 3474 H2 TIP3A1158 28.066 23.975 7.856 1.00 0.00 H +ATOM 3475 O1 TIP3A1159 25.773 34.097 20.283 1.00 0.00 O +ATOM 3476 H1 TIP3A1159 24.930 34.538 20.382 1.00 0.00 H +ATOM 3477 H2 TIP3A1159 26.258 34.640 19.661 1.00 0.00 H +ATOM 3478 O1 TIP3A1160 31.603 44.070 28.338 1.00 0.00 O +ATOM 3479 H1 TIP3A1160 31.187 44.211 27.489 1.00 0.00 H +ATOM 3480 H2 TIP3A1160 31.468 44.891 28.811 1.00 0.00 H +ATOM 3481 O1 TIP3A1161 16.729 20.175 9.272 1.00 0.00 O +ATOM 3482 H1 TIP3A1161 17.415 19.509 9.270 1.00 0.00 H +ATOM 3483 H2 TIP3A1161 16.997 20.793 9.954 1.00 0.00 H +ATOM 3484 O1 TIP3A1162 14.324 53.212 1.971 1.00 0.00 O +ATOM 3485 H1 TIP3A1162 13.785 52.424 1.906 1.00 0.00 H +ATOM 3486 H2 TIP3A1162 14.986 52.997 2.629 1.00 0.00 H +ATOM 3487 O1 TIP3A1163 41.572 22.738 11.870 1.00 0.00 O +ATOM 3488 H1 TIP3A1163 41.925 22.027 12.404 1.00 0.00 H +ATOM 3489 H2 TIP3A1163 41.158 23.329 12.500 1.00 0.00 H +ATOM 3490 O1 TIP3A1164 51.809 56.913 48.943 1.00 0.00 O +ATOM 3491 H1 TIP3A1164 51.694 57.783 49.322 1.00 0.00 H +ATOM 3492 H2 TIP3A1164 51.619 56.310 49.663 1.00 0.00 H +ATOM 3493 O1 TIP3A1165 21.618 12.194 41.572 1.00 0.00 O +ATOM 3494 H1 TIP3A1165 22.296 12.542 42.150 1.00 0.00 H +ATOM 3495 H2 TIP3A1165 22.097 11.866 40.811 1.00 0.00 H +ATOM 3496 O1 TIP3A1166 29.756 43.440 54.606 1.00 0.00 O +ATOM 3497 H1 TIP3A1166 29.697 44.393 54.663 1.00 0.00 H +ATOM 3498 H2 TIP3A1166 28.949 43.125 55.013 1.00 0.00 H +ATOM 3499 O1 TIP3A1167 8.937 14.033 15.682 1.00 0.00 O +ATOM 3500 H1 TIP3A1167 9.574 13.641 15.086 1.00 0.00 H +ATOM 3501 H2 TIP3A1167 9.154 13.668 16.540 1.00 0.00 H +ATOM 3502 O1 TIP3A1168 40.883 17.660 20.996 1.00 0.00 O +ATOM 3503 H1 TIP3A1168 40.666 17.641 21.928 1.00 0.00 H +ATOM 3504 H2 TIP3A1168 41.831 17.527 20.968 1.00 0.00 H +ATOM 3505 O1 TIP3A1169 56.409 36.089 37.384 1.00 0.00 O +ATOM 3506 H1 TIP3A1169 56.273 35.571 36.592 1.00 0.00 H +ATOM 3507 H2 TIP3A1169 56.390 35.449 38.096 1.00 0.00 H +ATOM 3508 O1 TIP3A1170 51.010 51.363 23.219 1.00 0.00 O +ATOM 3509 H1 TIP3A1170 50.215 50.834 23.280 1.00 0.00 H +ATOM 3510 H2 TIP3A1170 51.614 50.961 23.844 1.00 0.00 H +ATOM 3511 O1 TIP3A1171 31.844 38.578 24.873 1.00 0.00 O +ATOM 3512 H1 TIP3A1171 32.437 37.995 25.346 1.00 0.00 H +ATOM 3513 H2 TIP3A1171 31.272 37.989 24.379 1.00 0.00 H +ATOM 3514 O1 TIP3A1172 19.141 25.841 19.766 1.00 0.00 O +ATOM 3515 H1 TIP3A1172 19.557 25.990 20.615 1.00 0.00 H +ATOM 3516 H2 TIP3A1172 18.538 26.578 19.663 1.00 0.00 H +ATOM 3517 O1 TIP3A1173 45.577 17.394 29.328 1.00 0.00 O +ATOM 3518 H1 TIP3A1173 44.992 18.147 29.247 1.00 0.00 H +ATOM 3519 H2 TIP3A1173 46.367 17.652 28.852 1.00 0.00 H +ATOM 3520 O1 TIP3A1174 6.030 35.593 15.774 1.00 0.00 O +ATOM 3521 H1 TIP3A1174 6.629 36.203 16.203 1.00 0.00 H +ATOM 3522 H2 TIP3A1174 5.170 35.802 16.139 1.00 0.00 H +ATOM 3523 O1 TIP3A1175 51.055 28.137 11.918 1.00 0.00 O +ATOM 3524 H1 TIP3A1175 50.340 27.680 12.360 1.00 0.00 H +ATOM 3525 H2 TIP3A1175 50.757 28.231 11.013 1.00 0.00 H +ATOM 3526 O1 TIP3A1176 27.633 57.588 32.703 1.00 0.00 O +ATOM 3527 H1 TIP3A1176 27.801 57.364 33.618 1.00 0.00 H +ATOM 3528 H2 TIP3A1176 26.747 57.266 32.536 1.00 0.00 H +ATOM 3529 O1 TIP3A1177 17.391 56.538 14.111 1.00 0.00 O +ATOM 3530 H1 TIP3A1177 17.686 55.668 14.377 1.00 0.00 H +ATOM 3531 H2 TIP3A1177 17.089 56.948 14.922 1.00 0.00 H +ATOM 3532 O1 TIP3A1178 28.799 52.137 46.489 1.00 0.00 O +ATOM 3533 H1 TIP3A1178 28.885 51.189 46.579 1.00 0.00 H +ATOM 3534 H2 TIP3A1178 28.556 52.271 45.573 1.00 0.00 H +ATOM 3535 O1 TIP3A1179 6.700 7.401 25.926 1.00 0.00 O +ATOM 3536 H1 TIP3A1179 6.741 7.834 26.778 1.00 0.00 H +ATOM 3537 H2 TIP3A1179 7.444 7.757 25.439 1.00 0.00 H +ATOM 3538 O1 TIP3A1180 16.517 6.358 45.858 1.00 0.00 O +ATOM 3539 H1 TIP3A1180 16.881 5.591 46.300 1.00 0.00 H +ATOM 3540 H2 TIP3A1180 15.910 5.996 45.212 1.00 0.00 H +ATOM 3541 O1 TIP3A1181 53.689 50.451 33.157 1.00 0.00 O +ATOM 3542 H1 TIP3A1181 53.951 50.476 32.237 1.00 0.00 H +ATOM 3543 H2 TIP3A1181 52.732 50.402 33.133 1.00 0.00 H +ATOM 3544 O1 TIP3A1182 9.176 7.182 3.557 1.00 0.00 O +ATOM 3545 H1 TIP3A1182 9.837 7.475 2.930 1.00 0.00 H +ATOM 3546 H2 TIP3A1182 9.311 6.236 3.624 1.00 0.00 H +ATOM 3547 O1 TIP3A1183 43.578 11.401 54.180 1.00 0.00 O +ATOM 3548 H1 TIP3A1183 42.884 10.774 53.981 1.00 0.00 H +ATOM 3549 H2 TIP3A1183 43.912 11.126 55.035 1.00 0.00 H +ATOM 3550 O1 TIP3A1184 42.468 57.336 28.492 1.00 0.00 O +ATOM 3551 H1 TIP3A1184 43.423 57.299 28.527 1.00 0.00 H +ATOM 3552 H2 TIP3A1184 42.230 58.001 29.138 1.00 0.00 H +ATOM 3553 O1 TIP3A1185 38.927 22.927 48.651 1.00 0.00 O +ATOM 3554 H1 TIP3A1185 39.863 22.825 48.821 1.00 0.00 H +ATOM 3555 H2 TIP3A1185 38.792 22.515 47.797 1.00 0.00 H +ATOM 3556 O1 TIP3A1186 3.076 30.632 38.443 1.00 0.00 O +ATOM 3557 H1 TIP3A1186 3.367 30.775 37.543 1.00 0.00 H +ATOM 3558 H2 TIP3A1186 3.461 31.355 38.938 1.00 0.00 H +ATOM 3559 O1 TIP3A1187 16.518 35.099 44.497 1.00 0.00 O +ATOM 3560 H1 TIP3A1187 16.043 35.538 43.793 1.00 0.00 H +ATOM 3561 H2 TIP3A1187 17.372 34.890 44.118 1.00 0.00 H +ATOM 3562 O1 TIP3A1188 47.418 38.862 30.921 1.00 0.00 O +ATOM 3563 H1 TIP3A1188 46.557 38.729 31.317 1.00 0.00 H +ATOM 3564 H2 TIP3A1188 48.035 38.512 31.565 1.00 0.00 H +ATOM 3565 O1 TIP3A1189 10.171 55.004 33.327 1.00 0.00 O +ATOM 3566 H1 TIP3A1189 10.334 54.893 32.391 1.00 0.00 H +ATOM 3567 H2 TIP3A1189 11.004 54.780 33.743 1.00 0.00 H +ATOM 3568 O1 TIP3A1190 50.764 14.797 51.991 1.00 0.00 O +ATOM 3569 H1 TIP3A1190 50.013 15.022 51.443 1.00 0.00 H +ATOM 3570 H2 TIP3A1190 50.392 14.645 52.860 1.00 0.00 H +ATOM 3571 O1 TIP3A1191 32.387 11.371 5.293 1.00 0.00 O +ATOM 3572 H1 TIP3A1191 32.812 10.764 5.899 1.00 0.00 H +ATOM 3573 H2 TIP3A1191 33.102 11.910 4.954 1.00 0.00 H +ATOM 3574 O1 TIP3A1192 30.632 5.980 6.728 1.00 0.00 O +ATOM 3575 H1 TIP3A1192 29.886 6.553 6.901 1.00 0.00 H +ATOM 3576 H2 TIP3A1192 31.167 6.036 7.520 1.00 0.00 H +ATOM 3577 O1 TIP3A1193 46.215 30.448 24.728 1.00 0.00 O +ATOM 3578 H1 TIP3A1193 46.780 30.675 23.990 1.00 0.00 H +ATOM 3579 H2 TIP3A1193 45.325 30.515 24.379 1.00 0.00 H +ATOM 3580 O1 TIP3A1194 5.718 5.175 48.050 1.00 0.00 O +ATOM 3581 H1 TIP3A1194 6.123 5.850 48.593 1.00 0.00 H +ATOM 3582 H2 TIP3A1194 4.811 5.463 47.944 1.00 0.00 H +ATOM 3583 O1 TIP3A1195 56.841 38.406 54.318 1.00 0.00 O +ATOM 3584 H1 TIP3A1195 56.283 38.811 53.655 1.00 0.00 H +ATOM 3585 H2 TIP3A1195 56.626 37.474 54.276 1.00 0.00 H +ATOM 3586 O1 TIP3A1196 2.151 45.319 28.358 1.00 0.00 O +ATOM 3587 H1 TIP3A1196 2.513 44.450 28.528 1.00 0.00 H +ATOM 3588 H2 TIP3A1196 2.168 45.404 27.404 1.00 0.00 H +ATOM 3589 O1 TIP3A1197 20.065 35.812 23.682 1.00 0.00 O +ATOM 3590 H1 TIP3A1197 20.604 35.031 23.804 1.00 0.00 H +ATOM 3591 H2 TIP3A1197 19.955 36.168 24.564 1.00 0.00 H +ATOM 3592 O1 TIP3A1198 53.163 19.954 27.019 1.00 0.00 O +ATOM 3593 H1 TIP3A1198 52.682 20.747 26.785 1.00 0.00 H +ATOM 3594 H2 TIP3A1198 53.018 19.359 26.283 1.00 0.00 H +ATOM 3595 O1 TIP3A1199 35.054 32.132 13.054 1.00 0.00 O +ATOM 3596 H1 TIP3A1199 34.823 32.592 13.860 1.00 0.00 H +ATOM 3597 H2 TIP3A1199 36.010 32.168 13.022 1.00 0.00 H +ATOM 3598 O1 TIP3A1200 40.107 17.234 38.062 1.00 0.00 O +ATOM 3599 H1 TIP3A1200 40.387 16.995 37.179 1.00 0.00 H +ATOM 3600 H2 TIP3A1200 39.336 17.786 37.929 1.00 0.00 H +ATOM 3601 O1 TIP3A1201 45.523 3.705 46.249 1.00 0.00 O +ATOM 3602 H1 TIP3A1201 46.158 4.382 46.018 1.00 0.00 H +ATOM 3603 H2 TIP3A1201 45.945 3.209 46.952 1.00 0.00 H +ATOM 3604 O1 TIP3A1202 32.314 35.015 13.805 1.00 0.00 O +ATOM 3605 H1 TIP3A1202 31.697 34.620 14.420 1.00 0.00 H +ATOM 3606 H2 TIP3A1202 31.760 35.432 13.144 1.00 0.00 H +ATOM 3607 O1 TIP3A1203 37.242 34.329 24.925 1.00 0.00 O +ATOM 3608 H1 TIP3A1203 37.651 34.970 24.345 1.00 0.00 H +ATOM 3609 H2 TIP3A1203 37.762 34.366 25.728 1.00 0.00 H +ATOM 3610 O1 TIP3A1204 32.995 44.158 7.656 1.00 0.00 O +ATOM 3611 H1 TIP3A1204 32.850 43.212 7.651 1.00 0.00 H +ATOM 3612 H2 TIP3A1204 32.124 44.534 7.788 1.00 0.00 H +ATOM 3613 O1 TIP3A1205 40.859 8.610 54.485 1.00 0.00 O +ATOM 3614 H1 TIP3A1205 40.400 9.384 54.809 1.00 0.00 H +ATOM 3615 H2 TIP3A1205 40.863 8.714 53.533 1.00 0.00 H +ATOM 3616 O1 TIP3A1206 14.145 25.600 6.580 1.00 0.00 O +ATOM 3617 H1 TIP3A1206 14.248 25.425 5.645 1.00 0.00 H +ATOM 3618 H2 TIP3A1206 13.226 25.853 6.677 1.00 0.00 H +ATOM 3619 O1 TIP3A1207 56.310 49.429 23.807 1.00 0.00 O +ATOM 3620 H1 TIP3A1207 56.885 48.814 23.351 1.00 0.00 H +ATOM 3621 H2 TIP3A1207 55.698 48.872 24.289 1.00 0.00 H +ATOM 3622 O1 TIP3A1208 29.510 33.457 29.812 1.00 0.00 O +ATOM 3623 H1 TIP3A1208 29.146 32.642 30.156 1.00 0.00 H +ATOM 3624 H2 TIP3A1208 30.437 33.426 30.051 1.00 0.00 H +ATOM 3625 O1 TIP3A1209 15.476 38.625 34.281 1.00 0.00 O +ATOM 3626 H1 TIP3A1209 15.038 39.371 33.872 1.00 0.00 H +ATOM 3627 H2 TIP3A1209 15.117 38.593 35.169 1.00 0.00 H +ATOM 3628 O1 TIP3A1210 42.155 16.248 12.950 1.00 0.00 O +ATOM 3629 H1 TIP3A1210 41.510 15.633 12.603 1.00 0.00 H +ATOM 3630 H2 TIP3A1210 42.991 15.786 12.879 1.00 0.00 H +ATOM 3631 O1 TIP3A1211 29.854 55.971 34.428 1.00 0.00 O +ATOM 3632 H1 TIP3A1211 30.631 56.444 34.724 1.00 0.00 H +ATOM 3633 H2 TIP3A1211 30.196 55.159 34.052 1.00 0.00 H +ATOM 3634 O1 TIP3A1212 51.534 42.358 14.795 1.00 0.00 O +ATOM 3635 H1 TIP3A1212 51.939 41.515 14.994 1.00 0.00 H +ATOM 3636 H2 TIP3A1212 52.203 42.836 14.303 1.00 0.00 H +ATOM 3637 O1 TIP3A1213 56.990 46.373 10.784 1.00 0.00 O +ATOM 3638 H1 TIP3A1213 56.922 45.445 11.007 1.00 0.00 H +ATOM 3639 H2 TIP3A1213 56.137 46.739 11.018 1.00 0.00 H +ATOM 3640 O1 TIP3A1214 26.167 27.763 18.862 1.00 0.00 O +ATOM 3641 H1 TIP3A1214 26.063 27.940 19.796 1.00 0.00 H +ATOM 3642 H2 TIP3A1214 26.426 28.604 18.485 1.00 0.00 H +ATOM 3643 O1 TIP3A1215 39.300 43.555 53.088 1.00 0.00 O +ATOM 3644 H1 TIP3A1215 39.693 44.196 53.681 1.00 0.00 H +ATOM 3645 H2 TIP3A1215 38.371 43.553 53.319 1.00 0.00 H +ATOM 3646 O1 TIP3A1216 44.084 47.645 13.091 1.00 0.00 O +ATOM 3647 H1 TIP3A1216 43.628 46.890 12.722 1.00 0.00 H +ATOM 3648 H2 TIP3A1216 43.392 48.171 13.492 1.00 0.00 H +ATOM 3649 O1 TIP3A1217 3.791 39.959 46.803 1.00 0.00 O +ATOM 3650 H1 TIP3A1217 4.470 39.612 46.224 1.00 0.00 H +ATOM 3651 H2 TIP3A1217 4.014 40.884 46.907 1.00 0.00 H +ATOM 3652 O1 TIP3A1218 44.633 41.221 39.833 1.00 0.00 O +ATOM 3653 H1 TIP3A1218 45.108 41.786 40.442 1.00 0.00 H +ATOM 3654 H2 TIP3A1218 43.710 41.415 39.996 1.00 0.00 H +ATOM 3655 O1 TIP3A1219 51.520 28.676 28.619 1.00 0.00 O +ATOM 3656 H1 TIP3A1219 50.972 27.908 28.777 1.00 0.00 H +ATOM 3657 H2 TIP3A1219 51.541 28.764 27.666 1.00 0.00 H +ATOM 3658 O1 TIP3A1220 46.463 51.113 19.576 1.00 0.00 O +ATOM 3659 H1 TIP3A1220 46.880 50.263 19.710 1.00 0.00 H +ATOM 3660 H2 TIP3A1220 45.896 50.986 18.815 1.00 0.00 H +ATOM 3661 O1 TIP3A1221 11.372 42.304 44.197 1.00 0.00 O +ATOM 3662 H1 TIP3A1221 10.627 42.397 44.790 1.00 0.00 H +ATOM 3663 H2 TIP3A1221 11.774 41.471 44.445 1.00 0.00 H +ATOM 3664 O1 TIP3A1222 26.641 41.473 30.363 1.00 0.00 O +ATOM 3665 H1 TIP3A1222 26.328 40.574 30.267 1.00 0.00 H +ATOM 3666 H2 TIP3A1222 27.483 41.484 29.906 1.00 0.00 H +ATOM 3667 O1 TIP3A1223 28.687 19.079 11.590 1.00 0.00 O +ATOM 3668 H1 TIP3A1223 27.827 18.873 11.954 1.00 0.00 H +ATOM 3669 H2 TIP3A1223 28.716 18.605 10.758 1.00 0.00 H +ATOM 3670 O1 TIP3A1224 12.931 42.082 56.414 1.00 0.00 O +ATOM 3671 H1 TIP3A1224 11.976 42.066 56.353 1.00 0.00 H +ATOM 3672 H2 TIP3A1224 13.173 41.180 56.627 1.00 0.00 H +ATOM 3673 O1 TIP3A1225 21.853 51.152 17.773 1.00 0.00 O +ATOM 3674 H1 TIP3A1225 21.365 50.329 17.789 1.00 0.00 H +ATOM 3675 H2 TIP3A1225 21.622 51.584 18.596 1.00 0.00 H +ATOM 3676 O1 TIP3A1226 29.109 45.534 6.579 1.00 0.00 O +ATOM 3677 H1 TIP3A1226 28.893 44.625 6.782 1.00 0.00 H +ATOM 3678 H2 TIP3A1226 29.755 45.782 7.241 1.00 0.00 H +ATOM 3679 O1 TIP3A1227 19.649 52.007 48.982 1.00 0.00 O +ATOM 3680 H1 TIP3A1227 19.801 51.128 49.325 1.00 0.00 H +ATOM 3681 H2 TIP3A1227 20.091 52.587 49.603 1.00 0.00 H +ATOM 3682 O1 TIP3A1228 20.782 38.415 19.657 1.00 0.00 O +ATOM 3683 H1 TIP3A1228 20.208 39.122 19.948 1.00 0.00 H +ATOM 3684 H2 TIP3A1228 20.676 37.731 20.320 1.00 0.00 H +ATOM 3685 O1 TIP3A1229 24.540 6.683 36.748 1.00 0.00 O +ATOM 3686 H1 TIP3A1229 24.463 7.636 36.756 1.00 0.00 H +ATOM 3687 H2 TIP3A1229 23.819 6.379 37.300 1.00 0.00 H +ATOM 3688 O1 TIP3A1230 32.873 40.075 53.293 1.00 0.00 O +ATOM 3689 H1 TIP3A1230 32.717 39.144 53.444 1.00 0.00 H +ATOM 3690 H2 TIP3A1230 32.258 40.313 52.599 1.00 0.00 H +ATOM 3691 O1 TIP3A1231 16.736 46.844 29.080 1.00 0.00 O +ATOM 3692 H1 TIP3A1231 17.343 46.985 29.806 1.00 0.00 H +ATOM 3693 H2 TIP3A1231 16.424 47.721 28.854 1.00 0.00 H +ATOM 3694 O1 TIP3A1232 51.926 51.346 36.882 1.00 0.00 O +ATOM 3695 H1 TIP3A1232 50.996 51.381 37.102 1.00 0.00 H +ATOM 3696 H2 TIP3A1232 52.318 52.061 37.384 1.00 0.00 H +ATOM 3697 O1 TIP3A1233 56.151 57.547 15.388 1.00 0.00 O +ATOM 3698 H1 TIP3A1233 55.315 57.872 15.056 1.00 0.00 H +ATOM 3699 H2 TIP3A1233 56.525 57.056 14.655 1.00 0.00 H +ATOM 3700 O1 TIP3A1234 27.131 31.667 36.203 1.00 0.00 O +ATOM 3701 H1 TIP3A1234 27.770 32.379 36.201 1.00 0.00 H +ATOM 3702 H2 TIP3A1234 26.511 31.904 36.893 1.00 0.00 H +ATOM 3703 O1 TIP3A1235 43.073 41.684 9.217 1.00 0.00 O +ATOM 3704 H1 TIP3A1235 42.689 40.981 8.695 1.00 0.00 H +ATOM 3705 H2 TIP3A1235 43.929 41.346 9.481 1.00 0.00 H +ATOM 3706 O1 TIP3A1236 36.051 17.971 1.656 1.00 0.00 O +ATOM 3707 H1 TIP3A1236 35.718 17.124 1.952 1.00 0.00 H +ATOM 3708 H2 TIP3A1236 35.779 18.029 0.739 1.00 0.00 H +ATOM 3709 O1 TIP3A1237 53.247 15.532 56.822 1.00 0.00 O +ATOM 3710 H1 TIP3A1237 53.969 15.986 57.255 1.00 0.00 H +ATOM 3711 H2 TIP3A1237 52.766 16.224 56.367 1.00 0.00 H +ATOM 3712 O1 TIP3A1238 53.384 23.998 43.018 1.00 0.00 O +ATOM 3713 H1 TIP3A1238 53.830 23.836 42.188 1.00 0.00 H +ATOM 3714 H2 TIP3A1238 52.946 24.841 42.895 1.00 0.00 H +ATOM 3715 O1 TIP3A1239 29.066 6.931 57.575 1.00 0.00 O +ATOM 3716 H1 TIP3A1239 28.909 6.203 56.975 1.00 0.00 H +ATOM 3717 H2 TIP3A1239 29.964 6.799 57.882 1.00 0.00 H +ATOM 3718 O1 TIP3A1240 0.526 54.734 51.037 1.00 0.00 O +ATOM 3719 H1 TIP3A1240 1.261 54.686 51.647 1.00 0.00 H +ATOM 3720 H2 TIP3A1240 0.646 53.982 50.456 1.00 0.00 H +ATOM 3721 O1 TIP3A1241 17.119 37.637 40.739 1.00 0.00 O +ATOM 3722 H1 TIP3A1241 17.289 37.093 41.508 1.00 0.00 H +ATOM 3723 H2 TIP3A1241 16.174 37.789 40.757 1.00 0.00 H +ATOM 3724 O1 TIP3A1242 30.714 28.081 9.142 1.00 0.00 O +ATOM 3725 H1 TIP3A1242 30.829 28.723 9.842 1.00 0.00 H +ATOM 3726 H2 TIP3A1242 29.996 27.524 9.443 1.00 0.00 H +ATOM 3727 O1 TIP3A1243 51.057 10.626 32.367 1.00 0.00 O +ATOM 3728 H1 TIP3A1243 50.718 11.519 32.422 1.00 0.00 H +ATOM 3729 H2 TIP3A1243 50.956 10.388 31.444 1.00 0.00 H +ATOM 3730 O1 TIP3A1244 6.314 20.608 53.906 1.00 0.00 O +ATOM 3731 H1 TIP3A1244 7.144 20.199 53.665 1.00 0.00 H +ATOM 3732 H2 TIP3A1244 6.139 21.231 53.200 1.00 0.00 H +ATOM 3733 O1 TIP3A1245 56.512 42.697 10.097 1.00 0.00 O +ATOM 3734 H1 TIP3A1245 55.948 42.656 9.325 1.00 0.00 H +ATOM 3735 H2 TIP3A1245 56.409 41.842 10.516 1.00 0.00 H +ATOM 3736 O1 TIP3A1246 40.681 25.592 23.244 1.00 0.00 O +ATOM 3737 H1 TIP3A1246 40.599 26.544 23.197 1.00 0.00 H +ATOM 3738 H2 TIP3A1246 40.113 25.267 22.545 1.00 0.00 H +ATOM 3739 O1 TIP3A1247 2.092 39.591 32.285 1.00 0.00 O +ATOM 3740 H1 TIP3A1247 1.605 39.922 31.532 1.00 0.00 H +ATOM 3741 H2 TIP3A1247 1.449 39.085 32.783 1.00 0.00 H +ATOM 3742 O1 TIP3A1248 22.162 28.687 44.816 1.00 0.00 O +ATOM 3743 H1 TIP3A1248 22.832 28.976 44.197 1.00 0.00 H +ATOM 3744 H2 TIP3A1248 21.547 28.180 44.284 1.00 0.00 H +ATOM 3745 O1 TIP3A1249 3.268 24.696 24.845 1.00 0.00 O +ATOM 3746 H1 TIP3A1249 3.405 24.924 25.764 1.00 0.00 H +ATOM 3747 H2 TIP3A1249 2.364 24.956 24.665 1.00 0.00 H +ATOM 3748 O1 TIP3A1250 11.725 47.142 13.106 1.00 0.00 O +ATOM 3749 H1 TIP3A1250 11.535 47.557 13.947 1.00 0.00 H +ATOM 3750 H2 TIP3A1250 11.634 46.204 13.275 1.00 0.00 H +ATOM 3751 O1 TIP3A1251 45.787 51.978 34.450 1.00 0.00 O +ATOM 3752 H1 TIP3A1251 45.173 52.504 34.960 1.00 0.00 H +ATOM 3753 H2 TIP3A1251 45.985 51.228 35.012 1.00 0.00 H +ATOM 3754 O1 TIP3A1252 7.380 1.948 35.611 1.00 0.00 O +ATOM 3755 H1 TIP3A1252 8.023 2.622 35.830 1.00 0.00 H +ATOM 3756 H2 TIP3A1252 6.671 2.081 36.240 1.00 0.00 H +ATOM 3757 O1 TIP3A1253 33.389 35.485 5.620 1.00 0.00 O +ATOM 3758 H1 TIP3A1253 34.105 34.883 5.422 1.00 0.00 H +ATOM 3759 H2 TIP3A1253 33.781 36.145 6.192 1.00 0.00 H +ATOM 3760 O1 TIP3A1254 20.794 16.252 24.614 1.00 0.00 O +ATOM 3761 H1 TIP3A1254 21.484 15.889 24.059 1.00 0.00 H +ATOM 3762 H2 TIP3A1254 20.026 15.711 24.426 1.00 0.00 H +ATOM 3763 O1 TIP3A1255 15.355 20.649 46.585 1.00 0.00 O +ATOM 3764 H1 TIP3A1255 15.657 21.557 46.583 1.00 0.00 H +ATOM 3765 H2 TIP3A1255 15.871 20.223 45.900 1.00 0.00 H +ATOM 3766 O1 TIP3A1256 4.726 53.541 53.225 1.00 0.00 O +ATOM 3767 H1 TIP3A1256 4.209 53.588 54.028 1.00 0.00 H +ATOM 3768 H2 TIP3A1256 5.346 54.268 53.295 1.00 0.00 H +ATOM 3769 O1 TIP3A1257 11.462 27.200 9.787 1.00 0.00 O +ATOM 3770 H1 TIP3A1257 11.993 27.269 8.994 1.00 0.00 H +ATOM 3771 H2 TIP3A1257 11.579 28.042 10.229 1.00 0.00 H +ATOM 3772 O1 TIP3A1258 55.794 42.682 48.921 1.00 0.00 O +ATOM 3773 H1 TIP3A1258 56.579 43.227 48.882 1.00 0.00 H +ATOM 3774 H2 TIP3A1258 56.053 41.923 49.444 1.00 0.00 H +ATOM 3775 O1 TIP3A1259 13.261 50.123 51.883 1.00 0.00 O +ATOM 3776 H1 TIP3A1259 13.711 49.289 51.753 1.00 0.00 H +ATOM 3777 H2 TIP3A1259 13.436 50.351 52.796 1.00 0.00 H +ATOM 3778 O1 TIP3A1260 23.425 29.146 47.434 1.00 0.00 O +ATOM 3779 H1 TIP3A1260 22.477 29.024 47.460 1.00 0.00 H +ATOM 3780 H2 TIP3A1260 23.764 28.327 47.073 1.00 0.00 H +ATOM 3781 O1 TIP3A1261 4.563 26.050 42.198 1.00 0.00 O +ATOM 3782 H1 TIP3A1261 5.512 25.969 42.277 1.00 0.00 H +ATOM 3783 H2 TIP3A1261 4.346 25.570 41.398 1.00 0.00 H +ATOM 3784 O1 TIP3A1262 51.682 50.302 14.570 1.00 0.00 O +ATOM 3785 H1 TIP3A1262 52.488 50.392 14.063 1.00 0.00 H +ATOM 3786 H2 TIP3A1262 51.094 50.964 14.205 1.00 0.00 H +ATOM 3787 O1 TIP3A1263 56.097 5.692 7.122 1.00 0.00 O +ATOM 3788 H1 TIP3A1263 56.864 6.217 6.898 1.00 0.00 H +ATOM 3789 H2 TIP3A1263 56.367 4.788 6.955 1.00 0.00 H +ATOM 3790 O1 TIP3A1264 43.081 27.671 27.250 1.00 0.00 O +ATOM 3791 H1 TIP3A1264 42.441 26.968 27.354 1.00 0.00 H +ATOM 3792 H2 TIP3A1264 43.349 27.886 28.144 1.00 0.00 H +ATOM 3793 O1 TIP3A1265 9.825 55.497 26.314 1.00 0.00 O +ATOM 3794 H1 TIP3A1265 9.081 55.285 25.752 1.00 0.00 H +ATOM 3795 H2 TIP3A1265 9.430 55.803 27.131 1.00 0.00 H +ATOM 3796 O1 TIP3A1266 47.678 34.198 0.851 1.00 0.00 O +ATOM 3797 H1 TIP3A1266 47.527 33.267 1.009 1.00 0.00 H +ATOM 3798 H2 TIP3A1266 48.566 34.356 1.173 1.00 0.00 H +ATOM 3799 O1 TIP3A1267 22.605 26.196 18.891 1.00 0.00 O +ATOM 3800 H1 TIP3A1267 22.915 26.804 19.561 1.00 0.00 H +ATOM 3801 H2 TIP3A1267 23.102 25.393 19.047 1.00 0.00 H +ATOM 3802 O1 TIP3A1268 3.160 8.515 49.314 1.00 0.00 O +ATOM 3803 H1 TIP3A1268 2.207 8.598 49.302 1.00 0.00 H +ATOM 3804 H2 TIP3A1268 3.474 9.283 48.837 1.00 0.00 H +ATOM 3805 O1 TIP3A1269 42.757 46.627 26.099 1.00 0.00 O +ATOM 3806 H1 TIP3A1269 42.657 47.138 26.902 1.00 0.00 H +ATOM 3807 H2 TIP3A1269 42.200 45.859 26.232 1.00 0.00 H +ATOM 3808 O1 TIP3A1270 9.775 29.963 10.381 1.00 0.00 O +ATOM 3809 H1 TIP3A1270 10.436 29.887 9.694 1.00 0.00 H +ATOM 3810 H2 TIP3A1270 9.021 30.360 9.945 1.00 0.00 H +ATOM 3811 O1 TIP3A1271 39.767 39.922 54.782 1.00 0.00 O +ATOM 3812 H1 TIP3A1271 40.099 40.806 54.625 1.00 0.00 H +ATOM 3813 H2 TIP3A1271 39.163 40.020 55.519 1.00 0.00 H +ATOM 3814 O1 TIP3A1272 20.475 48.295 41.133 1.00 0.00 O +ATOM 3815 H1 TIP3A1272 19.721 48.687 41.572 1.00 0.00 H +ATOM 3816 H2 TIP3A1272 21.111 49.007 41.064 1.00 0.00 H +ATOM 3817 O1 TIP3A1273 11.020 57.531 34.170 1.00 0.00 O +ATOM 3818 H1 TIP3A1273 11.283 57.696 35.075 1.00 0.00 H +ATOM 3819 H2 TIP3A1273 10.081 57.349 34.222 1.00 0.00 H +ATOM 3820 O1 TIP3A1274 49.240 55.410 53.711 1.00 0.00 O +ATOM 3821 H1 TIP3A1274 48.309 55.584 53.578 1.00 0.00 H +ATOM 3822 H2 TIP3A1274 49.511 54.937 52.923 1.00 0.00 H +ATOM 3823 O1 TIP3A1275 55.696 24.953 45.193 1.00 0.00 O +ATOM 3824 H1 TIP3A1275 54.985 25.408 45.643 1.00 0.00 H +ATOM 3825 H2 TIP3A1275 55.346 24.763 44.321 1.00 0.00 H +ATOM 3826 O1 TIP3A1276 11.223 13.985 5.699 1.00 0.00 O +ATOM 3827 H1 TIP3A1276 11.558 13.089 5.688 1.00 0.00 H +ATOM 3828 H2 TIP3A1276 11.634 14.385 6.466 1.00 0.00 H +ATOM 3829 O1 TIP3A1277 26.605 0.722 55.999 1.00 0.00 O +ATOM 3830 H1 TIP3A1277 25.935 1.404 56.017 1.00 0.00 H +ATOM 3831 H2 TIP3A1277 26.315 0.084 56.652 1.00 0.00 H +ATOM 3832 O1 TIP3A1278 57.396 49.148 38.674 1.00 0.00 O +ATOM 3833 H1 TIP3A1278 56.891 49.353 37.888 1.00 0.00 H +ATOM 3834 H2 TIP3A1278 57.687 50.000 39.001 1.00 0.00 H +ATOM 3835 O1 TIP3A1279 54.886 57.839 44.194 1.00 0.00 O +ATOM 3836 H1 TIP3A1279 55.832 57.845 44.049 1.00 0.00 H +ATOM 3837 H2 TIP3A1279 54.569 57.094 43.683 1.00 0.00 H +ATOM 3838 O1 TIP3A1280 56.478 41.199 32.765 1.00 0.00 O +ATOM 3839 H1 TIP3A1280 56.673 40.268 32.660 1.00 0.00 H +ATOM 3840 H2 TIP3A1280 57.083 41.495 33.446 1.00 0.00 H +ATOM 3841 O1 TIP3A1281 26.313 33.822 15.267 1.00 0.00 O +ATOM 3842 H1 TIP3A1281 26.221 34.288 16.098 1.00 0.00 H +ATOM 3843 H2 TIP3A1281 25.586 33.199 15.260 1.00 0.00 H +ATOM 3844 O1 TIP3A1282 34.607 21.167 57.257 1.00 0.00 O +ATOM 3845 H1 TIP3A1282 35.044 20.734 57.990 1.00 0.00 H +ATOM 3846 H2 TIP3A1282 34.336 20.451 56.682 1.00 0.00 H +ATOM 3847 O1 TIP3A1283 15.435 50.606 38.399 1.00 0.00 O +ATOM 3848 H1 TIP3A1283 15.556 51.337 39.004 1.00 0.00 H +ATOM 3849 H2 TIP3A1283 15.699 49.834 38.900 1.00 0.00 H +ATOM 3850 O1 TIP3A1284 56.661 15.990 6.919 1.00 0.00 O +ATOM 3851 H1 TIP3A1284 55.720 15.862 6.809 1.00 0.00 H +ATOM 3852 H2 TIP3A1284 56.791 16.932 6.803 1.00 0.00 H +ATOM 3853 O1 TIP3A1285 22.025 42.143 14.575 1.00 0.00 O +ATOM 3854 H1 TIP3A1285 21.070 42.112 14.526 1.00 0.00 H +ATOM 3855 H2 TIP3A1285 22.275 42.825 13.950 1.00 0.00 H +ATOM 3856 O1 TIP3A1286 30.828 9.450 17.245 1.00 0.00 O +ATOM 3857 H1 TIP3A1286 31.674 9.004 17.231 1.00 0.00 H +ATOM 3858 H2 TIP3A1286 31.004 10.311 16.865 1.00 0.00 H +ATOM 3859 O1 TIP3A1287 29.878 45.628 37.271 1.00 0.00 O +ATOM 3860 H1 TIP3A1287 28.958 45.370 37.298 1.00 0.00 H +ATOM 3861 H2 TIP3A1287 30.224 45.205 36.485 1.00 0.00 H +ATOM 3862 O1 TIP3A1288 2.398 34.051 41.234 1.00 0.00 O +ATOM 3863 H1 TIP3A1288 3.351 34.125 41.210 1.00 0.00 H +ATOM 3864 H2 TIP3A1288 2.188 33.426 40.539 1.00 0.00 H +ATOM 3865 O1 TIP3A1289 19.433 7.753 56.957 1.00 0.00 O +ATOM 3866 H1 TIP3A1289 18.880 8.115 57.649 1.00 0.00 H +ATOM 3867 H2 TIP3A1289 19.133 6.849 56.859 1.00 0.00 H +ATOM 3868 O1 TIP3A1290 2.704 30.185 56.827 1.00 0.00 O +ATOM 3869 H1 TIP3A1290 2.617 30.190 57.779 1.00 0.00 H +ATOM 3870 H2 TIP3A1290 1.891 29.787 56.514 1.00 0.00 H +ATOM 3871 O1 TIP3A1291 40.518 46.121 36.904 1.00 0.00 O +ATOM 3872 H1 TIP3A1291 41.082 46.758 37.340 1.00 0.00 H +ATOM 3873 H2 TIP3A1291 41.031 45.312 36.895 1.00 0.00 H +ATOM 3874 O1 TIP3A1292 41.785 4.973 23.922 1.00 0.00 O +ATOM 3875 H1 TIP3A1292 42.473 4.397 23.592 1.00 0.00 H +ATOM 3876 H2 TIP3A1292 41.015 4.754 23.396 1.00 0.00 H +ATOM 3877 O1 TIP3A1293 52.503 44.522 57.312 1.00 0.00 O +ATOM 3878 H1 TIP3A1293 52.554 43.641 57.682 1.00 0.00 H +ATOM 3879 H2 TIP3A1293 53.388 44.875 57.410 1.00 0.00 H +ATOM 3880 O1 TIP3A1294 5.456 16.028 48.222 1.00 0.00 O +ATOM 3881 H1 TIP3A1294 4.706 15.436 48.198 1.00 0.00 H +ATOM 3882 H2 TIP3A1294 5.098 16.880 47.971 1.00 0.00 H +ATOM 3883 O1 TIP3A1295 18.594 49.873 47.651 1.00 0.00 O +ATOM 3884 H1 TIP3A1295 17.665 49.914 47.876 1.00 0.00 H +ATOM 3885 H2 TIP3A1295 18.884 49.022 47.980 1.00 0.00 H +ATOM 3886 O1 TIP3A1296 24.890 26.357 3.279 1.00 0.00 O +ATOM 3887 H1 TIP3A1296 24.872 26.755 2.409 1.00 0.00 H +ATOM 3888 H2 TIP3A1296 24.625 25.448 3.132 1.00 0.00 H +ATOM 3889 O1 TIP3A1297 45.730 48.397 19.479 1.00 0.00 O +ATOM 3890 H1 TIP3A1297 45.011 48.929 19.140 1.00 0.00 H +ATOM 3891 H2 TIP3A1297 45.425 47.494 19.386 1.00 0.00 H +ATOM 3892 O1 TIP3A1298 14.739 18.981 50.816 1.00 0.00 O +ATOM 3893 H1 TIP3A1298 15.525 19.037 51.359 1.00 0.00 H +ATOM 3894 H2 TIP3A1298 14.835 18.156 50.339 1.00 0.00 H +ATOM 3895 O1 TIP3A1299 34.217 13.009 40.757 1.00 0.00 O +ATOM 3896 H1 TIP3A1299 34.953 12.464 40.481 1.00 0.00 H +ATOM 3897 H2 TIP3A1299 33.974 13.500 39.971 1.00 0.00 H +ATOM 3898 O1 TIP3A1300 2.246 24.754 56.189 1.00 0.00 O +ATOM 3899 H1 TIP3A1300 2.392 23.839 56.430 1.00 0.00 H +ATOM 3900 H2 TIP3A1300 2.992 25.222 56.566 1.00 0.00 H +ATOM 3901 O1 TIP3A1301 46.486 14.390 41.758 1.00 0.00 O +ATOM 3902 H1 TIP3A1301 47.292 14.796 42.074 1.00 0.00 H +ATOM 3903 H2 TIP3A1301 45.791 14.802 42.271 1.00 0.00 H +ATOM 3904 O1 TIP3A1302 29.833 23.796 56.369 1.00 0.00 O +ATOM 3905 H1 TIP3A1302 30.568 24.107 56.896 1.00 0.00 H +ATOM 3906 H2 TIP3A1302 29.070 23.897 56.939 1.00 0.00 H +ATOM 3907 O1 TIP3A1303 15.146 10.058 13.680 1.00 0.00 O +ATOM 3908 H1 TIP3A1303 14.924 9.192 14.018 1.00 0.00 H +ATOM 3909 H2 TIP3A1303 14.650 10.131 12.864 1.00 0.00 H +ATOM 3910 O1 TIP3A1304 29.611 57.406 45.304 1.00 0.00 O +ATOM 3911 H1 TIP3A1304 29.059 58.000 44.796 1.00 0.00 H +ATOM 3912 H2 TIP3A1304 30.441 57.874 45.401 1.00 0.00 H +ATOM 3913 O1 TIP3A1305 56.342 53.189 39.573 1.00 0.00 O +ATOM 3914 H1 TIP3A1305 57.271 53.282 39.781 1.00 0.00 H +ATOM 3915 H2 TIP3A1305 56.306 52.464 38.949 1.00 0.00 H +ATOM 3916 O1 TIP3A1306 39.835 25.543 36.582 1.00 0.00 O +ATOM 3917 H1 TIP3A1306 39.584 25.999 35.779 1.00 0.00 H +ATOM 3918 H2 TIP3A1306 39.004 25.334 37.008 1.00 0.00 H +ATOM 3919 O1 TIP3A1307 54.911 49.287 17.941 1.00 0.00 O +ATOM 3920 H1 TIP3A1307 53.984 49.487 18.066 1.00 0.00 H +ATOM 3921 H2 TIP3A1307 55.329 49.564 18.757 1.00 0.00 H +ATOM 3922 O1 TIP3A1308 53.107 26.525 20.538 1.00 0.00 O +ATOM 3923 H1 TIP3A1308 52.576 26.526 19.742 1.00 0.00 H +ATOM 3924 H2 TIP3A1308 52.577 26.051 21.180 1.00 0.00 H +ATOM 3925 O1 TIP3A1309 37.831 50.317 39.838 1.00 0.00 O +ATOM 3926 H1 TIP3A1309 38.169 51.208 39.756 1.00 0.00 H +ATOM 3927 H2 TIP3A1309 37.833 50.146 40.781 1.00 0.00 H +ATOM 3928 O1 TIP3A1310 19.053 8.674 9.810 1.00 0.00 O +ATOM 3929 H1 TIP3A1310 19.951 8.987 9.711 1.00 0.00 H +ATOM 3930 H2 TIP3A1310 19.128 7.719 9.796 1.00 0.00 H +ATOM 3931 O1 TIP3A1311 19.104 25.326 46.909 1.00 0.00 O +ATOM 3932 H1 TIP3A1311 18.842 24.469 46.574 1.00 0.00 H +ATOM 3933 H2 TIP3A1311 18.858 25.308 47.834 1.00 0.00 H +ATOM 3934 O1 TIP3A1312 37.802 56.243 50.359 1.00 0.00 O +ATOM 3935 H1 TIP3A1312 37.276 55.450 50.262 1.00 0.00 H +ATOM 3936 H2 TIP3A1312 37.626 56.747 49.564 1.00 0.00 H +ATOM 3937 O1 TIP3A1313 18.349 36.699 21.377 1.00 0.00 O +ATOM 3938 H1 TIP3A1313 19.227 36.648 21.753 1.00 0.00 H +ATOM 3939 H2 TIP3A1313 18.472 37.141 20.537 1.00 0.00 H +ATOM 3940 O1 TIP3A1314 42.933 31.985 20.377 1.00 0.00 O +ATOM 3941 H1 TIP3A1314 43.645 31.437 20.706 1.00 0.00 H +ATOM 3942 H2 TIP3A1314 42.992 31.909 19.424 1.00 0.00 H +ATOM 3943 O1 TIP3A1315 26.635 41.975 13.556 1.00 0.00 O +ATOM 3944 H1 TIP3A1315 26.413 42.745 14.078 1.00 0.00 H +ATOM 3945 H2 TIP3A1315 26.649 42.294 12.653 1.00 0.00 H +ATOM 3946 O1 TIP3A1316 53.332 6.838 29.068 1.00 0.00 O +ATOM 3947 H1 TIP3A1316 54.102 7.378 28.894 1.00 0.00 H +ATOM 3948 H2 TIP3A1316 53.189 6.921 30.012 1.00 0.00 H +ATOM 3949 O1 TIP3A1317 55.903 28.532 0.749 1.00 0.00 O +ATOM 3950 H1 TIP3A1317 56.720 28.053 0.616 1.00 0.00 H +ATOM 3951 H2 TIP3A1317 55.218 27.867 0.666 1.00 0.00 H +ATOM 3952 O1 TIP3A1318 46.836 16.465 48.112 1.00 0.00 O +ATOM 3953 H1 TIP3A1318 46.915 17.197 47.502 1.00 0.00 H +ATOM 3954 H2 TIP3A1318 46.271 16.795 48.811 1.00 0.00 H +ATOM 3955 O1 TIP3A1319 9.319 39.793 4.297 1.00 0.00 O +ATOM 3956 H1 TIP3A1319 9.198 40.666 3.925 1.00 0.00 H +ATOM 3957 H2 TIP3A1319 8.541 39.652 4.837 1.00 0.00 H +ATOM 3958 O1 TIP3A1320 21.695 43.990 57.637 1.00 0.00 O +ATOM 3959 H1 TIP3A1320 20.815 43.913 58.005 1.00 0.00 H +ATOM 3960 H2 TIP3A1320 22.034 44.810 57.995 1.00 0.00 H +ATOM 3961 O1 TIP3A1321 25.733 45.139 20.892 1.00 0.00 O +ATOM 3962 H1 TIP3A1321 25.085 45.843 20.890 1.00 0.00 H +ATOM 3963 H2 TIP3A1321 26.402 45.427 20.270 1.00 0.00 H +ATOM 3964 O1 TIP3A1322 29.332 33.593 43.070 1.00 0.00 O +ATOM 3965 H1 TIP3A1322 29.298 33.733 44.015 1.00 0.00 H +ATOM 3966 H2 TIP3A1322 28.703 32.890 42.908 1.00 0.00 H +ATOM 3967 O1 TIP3A1323 55.554 51.634 36.888 1.00 0.00 O +ATOM 3968 H1 TIP3A1323 55.099 52.425 36.601 1.00 0.00 H +ATOM 3969 H2 TIP3A1323 56.382 51.646 36.405 1.00 0.00 H +ATOM 3970 O1 TIP3A1324 36.473 14.487 10.466 1.00 0.00 O +ATOM 3971 H1 TIP3A1324 36.841 15.057 11.140 1.00 0.00 H +ATOM 3972 H2 TIP3A1324 35.625 14.881 10.256 1.00 0.00 H +ATOM 3973 O1 TIP3A1325 12.360 51.454 57.935 1.00 0.00 O +ATOM 3974 H1 TIP3A1325 11.676 50.890 57.575 1.00 0.00 H +ATOM 3975 H2 TIP3A1325 11.949 52.316 58.006 1.00 0.00 H +ATOM 3976 O1 TIP3A1326 2.375 4.945 52.741 1.00 0.00 O +ATOM 3977 H1 TIP3A1326 2.194 4.908 51.802 1.00 0.00 H +ATOM 3978 H2 TIP3A1326 3.267 5.287 52.800 1.00 0.00 H +ATOM 3979 O1 TIP3A1327 18.041 4.858 10.604 1.00 0.00 O +ATOM 3980 H1 TIP3A1327 17.220 5.133 11.011 1.00 0.00 H +ATOM 3981 H2 TIP3A1327 18.345 5.632 10.129 1.00 0.00 H +ATOM 3982 O1 TIP3A1328 56.093 42.547 51.733 1.00 0.00 O +ATOM 3983 H1 TIP3A1328 55.299 42.881 51.318 1.00 0.00 H +ATOM 3984 H2 TIP3A1328 56.667 43.311 51.803 1.00 0.00 H +ATOM 3985 O1 TIP3A1329 16.198 52.619 36.009 1.00 0.00 O +ATOM 3986 H1 TIP3A1329 15.602 52.037 36.479 1.00 0.00 H +ATOM 3987 H2 TIP3A1329 17.069 52.374 36.322 1.00 0.00 H +ATOM 3988 O1 TIP3A1330 23.177 0.940 56.923 1.00 0.00 O +ATOM 3989 H1 TIP3A1330 22.646 1.049 56.135 1.00 0.00 H +ATOM 3990 H2 TIP3A1330 22.813 0.165 57.353 1.00 0.00 H +ATOM 3991 O1 TIP3A1331 23.881 2.292 7.655 1.00 0.00 O +ATOM 3992 H1 TIP3A1331 24.486 1.587 7.427 1.00 0.00 H +ATOM 3993 H2 TIP3A1331 23.044 2.021 7.277 1.00 0.00 H +ATOM 3994 O1 TIP3A1332 26.257 22.520 44.046 1.00 0.00 O +ATOM 3995 H1 TIP3A1332 26.001 23.138 44.730 1.00 0.00 H +ATOM 3996 H2 TIP3A1332 25.468 22.003 43.882 1.00 0.00 H +ATOM 3997 O1 TIP3A1333 33.448 32.586 22.873 1.00 0.00 O +ATOM 3998 H1 TIP3A1333 34.036 33.338 22.944 1.00 0.00 H +ATOM 3999 H2 TIP3A1333 32.572 32.954 22.995 1.00 0.00 H +ATOM 4000 O1 TIP3A1334 20.934 32.833 23.780 1.00 0.00 O +ATOM 4001 H1 TIP3A1334 21.410 32.019 23.618 1.00 0.00 H +ATOM 4002 H2 TIP3A1334 20.909 32.911 24.734 1.00 0.00 H +ATOM 4003 O1 TIP3A1335 48.945 38.671 24.796 1.00 0.00 O +ATOM 4004 H1 TIP3A1335 49.884 38.802 24.672 1.00 0.00 H +ATOM 4005 H2 TIP3A1335 48.613 39.534 25.045 1.00 0.00 H +ATOM 4006 O1 TIP3A1336 3.902 21.089 45.376 1.00 0.00 O +ATOM 4007 H1 TIP3A1336 4.358 21.841 45.752 1.00 0.00 H +ATOM 4008 H2 TIP3A1336 2.973 21.293 45.482 1.00 0.00 H +ATOM 4009 O1 TIP3A1337 14.704 17.488 42.287 1.00 0.00 O +ATOM 4010 H1 TIP3A1337 15.232 17.166 43.017 1.00 0.00 H +ATOM 4011 H2 TIP3A1337 14.943 18.412 42.206 1.00 0.00 H +ATOM 4012 O1 TIP3A1338 33.771 34.398 7.684 1.00 0.00 O +ATOM 4013 H1 TIP3A1338 34.129 33.548 7.430 1.00 0.00 H +ATOM 4014 H2 TIP3A1338 33.732 34.367 8.640 1.00 0.00 H +ATOM 4015 O1 TIP3A1339 38.842 57.145 45.712 1.00 0.00 O +ATOM 4016 H1 TIP3A1339 38.301 57.774 45.237 1.00 0.00 H +ATOM 4017 H2 TIP3A1339 39.713 57.235 45.323 1.00 0.00 H +ATOM 4018 O1 TIP3A1340 52.581 39.406 56.064 1.00 0.00 O +ATOM 4019 H1 TIP3A1340 53.182 40.117 56.287 1.00 0.00 H +ATOM 4020 H2 TIP3A1340 52.702 38.762 56.763 1.00 0.00 H +ATOM 4021 O1 TIP3A1341 51.622 8.817 6.073 1.00 0.00 O +ATOM 4022 H1 TIP3A1341 52.543 9.074 6.088 1.00 0.00 H +ATOM 4023 H2 TIP3A1341 51.587 8.082 5.460 1.00 0.00 H +ATOM 4024 O1 TIP3A1342 18.726 25.168 9.224 1.00 0.00 O +ATOM 4025 H1 TIP3A1342 18.853 24.353 9.708 1.00 0.00 H +ATOM 4026 H2 TIP3A1342 17.898 25.044 8.758 1.00 0.00 H +ATOM 4027 O1 TIP3A1343 10.021 30.983 54.316 1.00 0.00 O +ATOM 4028 H1 TIP3A1343 10.761 31.507 54.013 1.00 0.00 H +ATOM 4029 H2 TIP3A1343 10.265 30.080 54.109 1.00 0.00 H +ATOM 4030 O1 TIP3A1344 16.458 40.160 42.542 1.00 0.00 O +ATOM 4031 H1 TIP3A1344 16.518 40.442 43.454 1.00 0.00 H +ATOM 4032 H2 TIP3A1344 15.698 39.577 42.521 1.00 0.00 H +ATOM 4033 O1 TIP3A1345 15.038 53.976 46.093 1.00 0.00 O +ATOM 4034 H1 TIP3A1345 14.212 54.086 46.563 1.00 0.00 H +ATOM 4035 H2 TIP3A1345 15.575 54.717 46.374 1.00 0.00 H +ATOM 4036 O1 TIP3A1346 56.411 11.906 27.263 1.00 0.00 O +ATOM 4037 H1 TIP3A1346 57.037 12.628 27.307 1.00 0.00 H +ATOM 4038 H2 TIP3A1346 55.710 12.159 27.865 1.00 0.00 H +ATOM 4039 O1 TIP3A1347 57.616 31.716 27.833 1.00 0.00 O +ATOM 4040 H1 TIP3A1347 58.001 32.493 28.236 1.00 0.00 H +ATOM 4041 H2 TIP3A1347 57.610 31.061 28.532 1.00 0.00 H +ATOM 4042 O1 TIP3A1348 48.633 48.456 25.775 1.00 0.00 O +ATOM 4043 H1 TIP3A1348 48.324 47.552 25.835 1.00 0.00 H +ATOM 4044 H2 TIP3A1348 49.507 48.437 26.165 1.00 0.00 H +ATOM 4045 O1 TIP3A1349 41.878 17.109 15.287 1.00 0.00 O +ATOM 4046 H1 TIP3A1349 41.896 17.972 15.701 1.00 0.00 H +ATOM 4047 H2 TIP3A1349 42.792 16.933 15.062 1.00 0.00 H +ATOM 4048 O1 TIP3A1350 27.364 45.644 55.715 1.00 0.00 O +ATOM 4049 H1 TIP3A1350 26.657 45.002 55.777 1.00 0.00 H +ATOM 4050 H2 TIP3A1350 27.560 45.694 54.779 1.00 0.00 H +ATOM 4051 O1 TIP3A1351 27.871 27.661 16.457 1.00 0.00 O +ATOM 4052 H1 TIP3A1351 28.658 27.350 16.011 1.00 0.00 H +ATOM 4053 H2 TIP3A1351 28.168 28.412 16.972 1.00 0.00 H +ATOM 4054 O1 TIP3A1352 -0.001 52.322 12.842 1.00 0.00 O +ATOM 4055 H1 TIP3A1352 0.686 52.345 13.507 1.00 0.00 H +ATOM 4056 H2 TIP3A1352 0.028 53.188 12.435 1.00 0.00 H +ATOM 4057 O1 TIP3A1353 33.848 17.797 52.003 1.00 0.00 O +ATOM 4058 H1 TIP3A1353 34.801 17.716 51.963 1.00 0.00 H +ATOM 4059 H2 TIP3A1353 33.646 18.542 51.436 1.00 0.00 H +ATOM 4060 O1 TIP3A1354 37.491 23.790 1.888 1.00 0.00 O +ATOM 4061 H1 TIP3A1354 37.707 24.595 2.357 1.00 0.00 H +ATOM 4062 H2 TIP3A1354 38.286 23.575 1.400 1.00 0.00 H +ATOM 4063 O1 TIP3A1355 18.731 10.500 17.550 1.00 0.00 O +ATOM 4064 H1 TIP3A1355 18.695 10.594 16.598 1.00 0.00 H +ATOM 4065 H2 TIP3A1355 18.094 9.813 17.747 1.00 0.00 H +ATOM 4066 O1 TIP3A1356 18.921 36.410 0.020 1.00 0.00 O +ATOM 4067 H1 TIP3A1356 17.981 36.233 -0.004 1.00 0.00 H +ATOM 4068 H2 TIP3A1356 19.262 35.811 0.684 1.00 0.00 H +ATOM 4069 O1 TIP3A1357 1.010 48.888 11.154 1.00 0.00 O +ATOM 4070 H1 TIP3A1357 0.313 48.243 11.042 1.00 0.00 H +ATOM 4071 H2 TIP3A1357 1.670 48.439 11.683 1.00 0.00 H +ATOM 4072 O1 TIP3A1358 19.987 10.558 0.597 1.00 0.00 O +ATOM 4073 H1 TIP3A1358 19.074 10.380 0.820 1.00 0.00 H +ATOM 4074 H2 TIP3A1358 20.231 9.850 -0.000 1.00 0.00 H +ATOM 4075 O1 TIP3A1359 48.719 53.172 46.135 1.00 0.00 O +ATOM 4076 H1 TIP3A1359 48.169 53.757 46.654 1.00 0.00 H +ATOM 4077 H2 TIP3A1359 48.386 52.295 46.328 1.00 0.00 H +ATOM 4078 O1 TIP3A1360 26.816 27.813 32.346 1.00 0.00 O +ATOM 4079 H1 TIP3A1360 26.795 27.942 33.294 1.00 0.00 H +ATOM 4080 H2 TIP3A1360 27.407 28.495 32.024 1.00 0.00 H +ATOM 4081 O1 TIP3A1361 1.684 10.044 44.205 1.00 0.00 O +ATOM 4082 H1 TIP3A1361 1.600 10.609 43.437 1.00 0.00 H +ATOM 4083 H2 TIP3A1361 2.585 10.177 44.502 1.00 0.00 H +ATOM 4084 O1 TIP3A1362 13.234 1.381 49.517 1.00 0.00 O +ATOM 4085 H1 TIP3A1362 13.172 2.330 49.618 1.00 0.00 H +ATOM 4086 H2 TIP3A1362 12.394 1.050 49.837 1.00 0.00 H +ATOM 4087 O1 TIP3A1363 27.109 3.852 19.721 1.00 0.00 O +ATOM 4088 H1 TIP3A1363 28.045 3.688 19.832 1.00 0.00 H +ATOM 4089 H2 TIP3A1363 26.895 4.489 20.404 1.00 0.00 H +ATOM 4090 O1 TIP3A1364 28.240 13.254 11.027 1.00 0.00 O +ATOM 4091 H1 TIP3A1364 28.869 13.391 10.320 1.00 0.00 H +ATOM 4092 H2 TIP3A1364 27.957 12.345 10.924 1.00 0.00 H +ATOM 4093 O1 TIP3A1365 44.986 17.573 26.377 1.00 0.00 O +ATOM 4094 H1 TIP3A1365 45.406 18.379 26.080 1.00 0.00 H +ATOM 4095 H2 TIP3A1365 44.459 17.840 27.131 1.00 0.00 H +ATOM 4096 O1 TIP3A1366 45.436 7.485 31.167 1.00 0.00 O +ATOM 4097 H1 TIP3A1366 44.806 8.181 30.984 1.00 0.00 H +ATOM 4098 H2 TIP3A1366 46.119 7.909 31.687 1.00 0.00 H +ATOM 4099 O1 TIP3A1367 33.513 28.571 39.070 1.00 0.00 O +ATOM 4100 H1 TIP3A1367 32.633 28.236 38.900 1.00 0.00 H +ATOM 4101 H2 TIP3A1367 33.774 28.988 38.249 1.00 0.00 H +ATOM 4102 O1 TIP3A1368 8.228 8.616 0.290 1.00 0.00 O +ATOM 4103 H1 TIP3A1368 9.164 8.633 0.094 1.00 0.00 H +ATOM 4104 H2 TIP3A1368 7.928 9.506 0.106 1.00 0.00 H +ATOM 4105 O1 TIP3A1369 50.779 28.296 41.129 1.00 0.00 O +ATOM 4106 H1 TIP3A1369 50.441 29.191 41.154 1.00 0.00 H +ATOM 4107 H2 TIP3A1369 50.044 27.754 41.417 1.00 0.00 H +ATOM 4108 O1 TIP3A1370 9.506 51.226 35.989 1.00 0.00 O +ATOM 4109 H1 TIP3A1370 8.805 50.576 35.963 1.00 0.00 H +ATOM 4110 H2 TIP3A1370 10.311 50.708 36.041 1.00 0.00 H +ATOM 4111 O1 TIP3A1371 0.553 10.211 1.107 1.00 0.00 O +ATOM 4112 H1 TIP3A1371 -0.000 9.431 1.138 1.00 0.00 H +ATOM 4113 H2 TIP3A1371 0.379 10.662 1.933 1.00 0.00 H +ATOM 4114 O1 TIP3A1372 50.125 51.235 47.280 1.00 0.00 O +ATOM 4115 H1 TIP3A1372 50.322 51.865 47.972 1.00 0.00 H +ATOM 4116 H2 TIP3A1372 50.935 51.172 46.774 1.00 0.00 H +ATOM 4117 O1 TIP3A1373 33.359 30.292 54.977 1.00 0.00 O +ATOM 4118 H1 TIP3A1373 33.916 29.518 54.903 1.00 0.00 H +ATOM 4119 H2 TIP3A1373 32.649 30.137 54.353 1.00 0.00 H +ATOM 4120 O1 TIP3A1374 11.911 0.157 25.018 1.00 0.00 O +ATOM 4121 H1 TIP3A1374 11.236 0.771 25.308 1.00 0.00 H +ATOM 4122 H2 TIP3A1374 12.528 0.696 24.522 1.00 0.00 H +ATOM 4123 O1 TIP3A1375 37.319 33.850 38.672 1.00 0.00 O +ATOM 4124 H1 TIP3A1375 37.328 34.527 37.996 1.00 0.00 H +ATOM 4125 H2 TIP3A1375 38.244 33.695 38.868 1.00 0.00 H +ATOM 4126 O1 TIP3A1376 10.515 33.168 17.699 1.00 0.00 O +ATOM 4127 H1 TIP3A1376 9.632 32.866 17.911 1.00 0.00 H +ATOM 4128 H2 TIP3A1376 10.385 34.025 17.293 1.00 0.00 H +ATOM 4129 O1 TIP3A1377 12.047 49.889 12.398 1.00 0.00 O +ATOM 4130 H1 TIP3A1377 12.626 49.205 12.063 1.00 0.00 H +ATOM 4131 H2 TIP3A1377 11.310 49.412 12.782 1.00 0.00 H +ATOM 4132 O1 TIP3A1378 21.531 49.249 23.081 1.00 0.00 O +ATOM 4133 H1 TIP3A1378 20.584 49.127 23.019 1.00 0.00 H +ATOM 4134 H2 TIP3A1378 21.661 49.694 23.919 1.00 0.00 H +ATOM 4135 O1 TIP3A1379 11.572 22.417 38.220 1.00 0.00 O +ATOM 4136 H1 TIP3A1379 12.211 22.698 37.566 1.00 0.00 H +ATOM 4137 H2 TIP3A1379 11.150 23.227 38.507 1.00 0.00 H +ATOM 4138 O1 TIP3A1380 50.939 0.518 4.266 1.00 0.00 O +ATOM 4139 H1 TIP3A1380 50.855 0.563 3.315 1.00 0.00 H +ATOM 4140 H2 TIP3A1380 51.803 0.891 4.448 1.00 0.00 H +ATOM 4141 O1 TIP3A1381 50.206 12.014 41.403 1.00 0.00 O +ATOM 4142 H1 TIP3A1381 50.818 11.703 42.070 1.00 0.00 H +ATOM 4143 H2 TIP3A1381 49.576 11.299 41.303 1.00 0.00 H +ATOM 4144 O1 TIP3A1382 14.533 56.688 56.115 1.00 0.00 O +ATOM 4145 H1 TIP3A1382 14.475 55.738 56.020 1.00 0.00 H +ATOM 4146 H2 TIP3A1382 14.145 57.034 55.311 1.00 0.00 H +ATOM 4147 O1 TIP3A1383 49.007 54.398 43.061 1.00 0.00 O +ATOM 4148 H1 TIP3A1383 48.730 55.215 43.472 1.00 0.00 H +ATOM 4149 H2 TIP3A1383 49.936 54.529 42.866 1.00 0.00 H +ATOM 4150 O1 TIP3A1384 42.348 31.341 30.833 1.00 0.00 O +ATOM 4151 H1 TIP3A1384 41.885 30.504 30.809 1.00 0.00 H +ATOM 4152 H2 TIP3A1384 43.014 31.266 30.149 1.00 0.00 H +ATOM 4153 O1 TIP3A1385 14.160 8.487 54.342 1.00 0.00 O +ATOM 4154 H1 TIP3A1385 14.853 7.845 54.187 1.00 0.00 H +ATOM 4155 H2 TIP3A1385 14.529 9.086 54.991 1.00 0.00 H +ATOM 4156 O1 TIP3A1386 37.403 44.354 10.400 1.00 0.00 O +ATOM 4157 H1 TIP3A1386 37.414 43.811 11.187 1.00 0.00 H +ATOM 4158 H2 TIP3A1386 36.912 43.838 9.759 1.00 0.00 H +ATOM 4159 O1 TIP3A1387 13.761 20.472 31.459 1.00 0.00 O +ATOM 4160 H1 TIP3A1387 14.018 21.128 32.105 1.00 0.00 H +ATOM 4161 H2 TIP3A1387 13.310 19.797 31.967 1.00 0.00 H +ATOM 4162 O1 TIP3A1388 31.596 54.292 0.710 1.00 0.00 O +ATOM 4163 H1 TIP3A1388 30.953 53.730 1.142 1.00 0.00 H +ATOM 4164 H2 TIP3A1388 31.109 54.711 -0.000 1.00 0.00 H +ATOM 4165 O1 TIP3A1389 31.899 0.794 5.029 1.00 0.00 O +ATOM 4166 H1 TIP3A1389 32.101 0.465 4.154 1.00 0.00 H +ATOM 4167 H2 TIP3A1389 31.261 1.493 4.881 1.00 0.00 H +ATOM 4168 O1 TIP3A1390 45.855 49.437 42.156 1.00 0.00 O +ATOM 4169 H1 TIP3A1390 46.727 49.203 41.839 1.00 0.00 H +ATOM 4170 H2 TIP3A1390 45.615 50.212 41.648 1.00 0.00 H +ATOM 4171 O1 TIP3A1391 4.602 16.939 2.906 1.00 0.00 O +ATOM 4172 H1 TIP3A1391 4.854 16.985 3.827 1.00 0.00 H +ATOM 4173 H2 TIP3A1391 4.499 16.003 2.731 1.00 0.00 H +ATOM 4174 O1 TIP3A1392 2.200 57.130 50.914 1.00 0.00 O +ATOM 4175 H1 TIP3A1392 3.156 57.159 50.880 1.00 0.00 H +ATOM 4176 H2 TIP3A1392 1.942 58.018 51.161 1.00 0.00 H +ATOM 4177 O1 TIP3A1393 14.938 11.940 6.461 1.00 0.00 O +ATOM 4178 H1 TIP3A1393 14.410 12.725 6.316 1.00 0.00 H +ATOM 4179 H2 TIP3A1393 14.543 11.524 7.228 1.00 0.00 H +ATOM 4180 O1 TIP3A1394 11.154 2.063 43.019 1.00 0.00 O +ATOM 4181 H1 TIP3A1394 10.986 2.667 42.297 1.00 0.00 H +ATOM 4182 H2 TIP3A1394 11.960 2.388 43.421 1.00 0.00 H +ATOM 4183 O1 TIP3A1395 10.641 6.961 22.943 1.00 0.00 O +ATOM 4184 H1 TIP3A1395 9.774 7.250 23.227 1.00 0.00 H +ATOM 4185 H2 TIP3A1395 10.785 7.415 22.112 1.00 0.00 H +ATOM 4186 O1 TIP3A1396 53.460 35.786 42.622 1.00 0.00 O +ATOM 4187 H1 TIP3A1396 53.305 34.842 42.612 1.00 0.00 H +ATOM 4188 H2 TIP3A1396 52.801 36.144 42.026 1.00 0.00 H +ATOM 4189 O1 TIP3A1397 35.560 51.254 1.959 1.00 0.00 O +ATOM 4190 H1 TIP3A1397 35.879 51.871 1.301 1.00 0.00 H +ATOM 4191 H2 TIP3A1397 36.161 51.358 2.697 1.00 0.00 H +ATOM 4192 O1 TIP3A1398 38.245 55.915 25.319 1.00 0.00 O +ATOM 4193 H1 TIP3A1398 37.816 55.898 26.174 1.00 0.00 H +ATOM 4194 H2 TIP3A1398 37.525 55.962 24.689 1.00 0.00 H +ATOM 4195 O1 TIP3A1399 15.453 34.255 39.408 1.00 0.00 O +ATOM 4196 H1 TIP3A1399 14.954 33.631 39.934 1.00 0.00 H +ATOM 4197 H2 TIP3A1399 15.809 33.731 38.689 1.00 0.00 H +ATOM 4198 O1 TIP3A1400 12.746 55.915 40.889 1.00 0.00 O +ATOM 4199 H1 TIP3A1400 13.397 55.236 41.057 1.00 0.00 H +ATOM 4200 H2 TIP3A1400 12.408 56.143 41.755 1.00 0.00 H +ATOM 4201 O1 TIP3A1401 41.379 45.515 12.122 1.00 0.00 O +ATOM 4202 H1 TIP3A1401 41.466 44.586 11.911 1.00 0.00 H +ATOM 4203 H2 TIP3A1401 40.700 45.834 11.527 1.00 0.00 H +ATOM 4204 O1 TIP3A1402 41.928 13.307 41.874 1.00 0.00 O +ATOM 4205 H1 TIP3A1402 41.179 13.885 42.015 1.00 0.00 H +ATOM 4206 H2 TIP3A1402 41.932 12.728 42.637 1.00 0.00 H +ATOM 4207 O1 TIP3A1403 6.454 32.486 9.236 1.00 0.00 O +ATOM 4208 H1 TIP3A1403 7.305 32.060 9.131 1.00 0.00 H +ATOM 4209 H2 TIP3A1403 6.568 33.350 8.839 1.00 0.00 H +ATOM 4210 O1 TIP3A1404 21.407 13.950 9.933 1.00 0.00 O +ATOM 4211 H1 TIP3A1404 21.346 13.770 8.996 1.00 0.00 H +ATOM 4212 H2 TIP3A1404 21.657 13.111 10.323 1.00 0.00 H +ATOM 4213 O1 TIP3A1405 23.715 23.591 15.641 1.00 0.00 O +ATOM 4214 H1 TIP3A1405 24.154 22.746 15.554 1.00 0.00 H +ATOM 4215 H2 TIP3A1405 24.379 24.234 15.390 1.00 0.00 H +ATOM 4216 O1 TIP3A1406 30.359 23.887 26.229 1.00 0.00 O +ATOM 4217 H1 TIP3A1406 30.302 23.149 26.835 1.00 0.00 H +ATOM 4218 H2 TIP3A1406 29.865 23.604 25.459 1.00 0.00 H +ATOM 4219 O1 TIP3A1407 41.241 3.914 55.189 1.00 0.00 O +ATOM 4220 H1 TIP3A1407 41.135 4.180 56.102 1.00 0.00 H +ATOM 4221 H2 TIP3A1407 41.087 4.714 54.686 1.00 0.00 H +ATOM 4222 O1 TIP3A1408 38.400 26.121 31.919 1.00 0.00 O +ATOM 4223 H1 TIP3A1408 38.071 25.680 31.136 1.00 0.00 H +ATOM 4224 H2 TIP3A1408 38.592 27.013 31.628 1.00 0.00 H +ATOM 4225 O1 TIP3A1409 57.156 4.361 18.100 1.00 0.00 O +ATOM 4226 H1 TIP3A1409 56.546 3.878 18.655 1.00 0.00 H +ATOM 4227 H2 TIP3A1409 58.022 4.139 18.443 1.00 0.00 H +ATOM 4228 O1 TIP3A1410 32.073 41.393 20.413 1.00 0.00 O +ATOM 4229 H1 TIP3A1410 31.246 41.095 20.036 1.00 0.00 H +ATOM 4230 H2 TIP3A1410 32.744 41.043 19.826 1.00 0.00 H +ATOM 4231 O1 TIP3A1411 14.461 41.527 17.120 1.00 0.00 O +ATOM 4232 H1 TIP3A1411 15.013 40.876 17.553 1.00 0.00 H +ATOM 4233 H2 TIP3A1411 13.883 41.850 17.812 1.00 0.00 H +ATOM 4234 O1 TIP3A1412 36.227 40.657 47.029 1.00 0.00 O +ATOM 4235 H1 TIP3A1412 35.409 40.466 46.571 1.00 0.00 H +ATOM 4236 H2 TIP3A1412 36.335 39.928 47.642 1.00 0.00 H +ATOM 4237 O1 TIP3A1413 49.702 56.695 45.582 1.00 0.00 O +ATOM 4238 H1 TIP3A1413 49.280 55.836 45.574 1.00 0.00 H +ATOM 4239 H2 TIP3A1413 49.254 57.189 44.895 1.00 0.00 H +ATOM 4240 O1 TIP3A1414 4.813 36.708 45.127 1.00 0.00 O +ATOM 4241 H1 TIP3A1414 5.256 37.517 45.379 1.00 0.00 H +ATOM 4242 H2 TIP3A1414 4.566 36.300 45.957 1.00 0.00 H +ATOM 4243 O1 TIP3A1415 47.918 22.164 6.511 1.00 0.00 O +ATOM 4244 H1 TIP3A1415 48.345 22.990 6.737 1.00 0.00 H +ATOM 4245 H2 TIP3A1415 47.585 21.829 7.344 1.00 0.00 H +ATOM 4246 O1 TIP3A1416 54.349 53.030 46.542 1.00 0.00 O +ATOM 4247 H1 TIP3A1416 53.775 52.944 45.782 1.00 0.00 H +ATOM 4248 H2 TIP3A1416 53.799 52.790 47.288 1.00 0.00 H +ATOM 4249 O1 TIP3A1417 43.344 15.852 10.588 1.00 0.00 O +ATOM 4250 H1 TIP3A1417 44.005 16.448 10.940 1.00 0.00 H +ATOM 4251 H2 TIP3A1417 43.456 15.903 9.639 1.00 0.00 H +ATOM 4252 O1 TIP3A1418 30.032 15.343 27.933 1.00 0.00 O +ATOM 4253 H1 TIP3A1418 29.480 16.102 28.119 1.00 0.00 H +ATOM 4254 H2 TIP3A1418 30.858 15.716 27.626 1.00 0.00 H +ATOM 4255 O1 TIP3A1419 44.182 34.145 27.672 1.00 0.00 O +ATOM 4256 H1 TIP3A1419 43.839 34.966 28.024 1.00 0.00 H +ATOM 4257 H2 TIP3A1419 43.446 33.535 27.727 1.00 0.00 H +ATOM 4258 O1 TIP3A1420 26.839 15.447 57.783 1.00 0.00 O +ATOM 4259 H1 TIP3A1420 27.662 15.010 58.000 1.00 0.00 H +ATOM 4260 H2 TIP3A1420 26.311 14.769 57.359 1.00 0.00 H +ATOM 4261 O1 TIP3A1421 47.136 15.649 13.611 1.00 0.00 O +ATOM 4262 H1 TIP3A1421 46.190 15.694 13.475 1.00 0.00 H +ATOM 4263 H2 TIP3A1421 47.256 14.927 14.228 1.00 0.00 H +ATOM 4264 O1 TIP3A1422 28.867 3.624 47.672 1.00 0.00 O +ATOM 4265 H1 TIP3A1422 29.305 4.441 47.435 1.00 0.00 H +ATOM 4266 H2 TIP3A1422 28.413 3.824 48.491 1.00 0.00 H +ATOM 4267 O1 TIP3A1423 54.227 15.190 20.711 1.00 0.00 O +ATOM 4268 H1 TIP3A1423 54.973 15.757 20.520 1.00 0.00 H +ATOM 4269 H2 TIP3A1423 53.467 15.772 20.678 1.00 0.00 H +ATOM 4270 O1 TIP3A1424 53.477 29.323 20.031 1.00 0.00 O +ATOM 4271 H1 TIP3A1424 52.533 29.413 20.152 1.00 0.00 H +ATOM 4272 H2 TIP3A1424 53.572 28.620 19.388 1.00 0.00 H +ATOM 4273 O1 TIP3A1425 25.734 30.816 6.107 1.00 0.00 O +ATOM 4274 H1 TIP3A1425 26.415 31.474 5.971 1.00 0.00 H +ATOM 4275 H2 TIP3A1425 25.921 30.139 5.456 1.00 0.00 H +ATOM 4276 O1 TIP3A1426 5.969 52.761 33.308 1.00 0.00 O +ATOM 4277 H1 TIP3A1426 5.290 53.434 33.267 1.00 0.00 H +ATOM 4278 H2 TIP3A1426 5.683 52.174 34.009 1.00 0.00 H +ATOM 4279 O1 TIP3A1427 18.969 2.662 28.557 1.00 0.00 O +ATOM 4280 H1 TIP3A1427 19.835 2.327 28.328 1.00 0.00 H +ATOM 4281 H2 TIP3A1427 18.398 2.353 27.852 1.00 0.00 H +ATOM 4282 O1 TIP3A1428 42.292 19.109 8.392 1.00 0.00 O +ATOM 4283 H1 TIP3A1428 42.806 18.356 8.680 1.00 0.00 H +ATOM 4284 H2 TIP3A1428 42.766 19.868 8.733 1.00 0.00 H +ATOM 4285 O1 TIP3A1429 51.171 52.738 12.270 1.00 0.00 O +ATOM 4286 H1 TIP3A1429 51.920 52.906 12.841 1.00 0.00 H +ATOM 4287 H2 TIP3A1429 51.108 53.520 11.720 1.00 0.00 H +ATOM 4288 O1 TIP3A1430 20.005 8.230 46.225 1.00 0.00 O +ATOM 4289 H1 TIP3A1430 20.813 8.699 46.429 1.00 0.00 H +ATOM 4290 H2 TIP3A1430 19.907 8.322 45.276 1.00 0.00 H +ATOM 4291 O1 TIP3A1431 6.225 29.583 12.129 1.00 0.00 O +ATOM 4292 H1 TIP3A1431 5.887 28.863 11.598 1.00 0.00 H +ATOM 4293 H2 TIP3A1431 6.130 30.357 11.572 1.00 0.00 H +ATOM 4294 O1 TIP3A1432 4.345 30.190 26.778 1.00 0.00 O +ATOM 4295 H1 TIP3A1432 4.386 29.424 26.207 1.00 0.00 H +ATOM 4296 H2 TIP3A1432 4.060 30.902 26.204 1.00 0.00 H +ATOM 4297 O1 TIP3A1433 52.155 48.229 48.487 1.00 0.00 O +ATOM 4298 H1 TIP3A1433 51.769 48.887 49.064 1.00 0.00 H +ATOM 4299 H2 TIP3A1433 52.023 47.399 48.948 1.00 0.00 H +ATOM 4300 O1 TIP3A1434 39.899 2.045 39.842 1.00 0.00 O +ATOM 4301 H1 TIP3A1434 39.903 2.707 40.533 1.00 0.00 H +ATOM 4302 H2 TIP3A1434 40.178 2.516 39.057 1.00 0.00 H +ATOM 4303 O1 TIP3A1435 21.100 26.775 1.109 1.00 0.00 O +ATOM 4304 H1 TIP3A1435 21.988 26.525 1.363 1.00 0.00 H +ATOM 4305 H2 TIP3A1435 20.916 27.562 1.622 1.00 0.00 H +ATOM 4306 O1 TIP3A1436 14.203 14.518 1.238 1.00 0.00 O +ATOM 4307 H1 TIP3A1436 13.951 13.664 1.587 1.00 0.00 H +ATOM 4308 H2 TIP3A1436 14.997 14.750 1.721 1.00 0.00 H +ATOM 4309 O1 TIP3A1437 42.378 38.049 23.986 1.00 0.00 O +ATOM 4310 H1 TIP3A1437 42.487 37.099 23.995 1.00 0.00 H +ATOM 4311 H2 TIP3A1437 41.856 38.239 24.766 1.00 0.00 H +ATOM 4312 O1 TIP3A1438 29.342 20.098 15.453 1.00 0.00 O +ATOM 4313 H1 TIP3A1438 29.705 20.315 14.595 1.00 0.00 H +ATOM 4314 H2 TIP3A1438 29.933 20.520 16.077 1.00 0.00 H +ATOM 4315 O1 TIP3A1439 20.585 36.443 39.615 1.00 0.00 O +ATOM 4316 H1 TIP3A1439 20.485 37.386 39.496 1.00 0.00 H +ATOM 4317 H2 TIP3A1439 19.999 36.054 38.965 1.00 0.00 H +ATOM 4318 O1 TIP3A1440 26.105 50.518 24.691 1.00 0.00 O +ATOM 4319 H1 TIP3A1440 26.037 49.581 24.874 1.00 0.00 H +ATOM 4320 H2 TIP3A1440 25.502 50.665 23.962 1.00 0.00 H +ATOM 4321 O1 TIP3A1441 50.830 43.132 49.746 1.00 0.00 O +ATOM 4322 H1 TIP3A1441 50.708 43.674 48.967 1.00 0.00 H +ATOM 4323 H2 TIP3A1441 51.122 43.744 50.422 1.00 0.00 H +ATOM 4324 O1 TIP3A1442 42.492 53.662 0.622 1.00 0.00 O +ATOM 4325 H1 TIP3A1442 41.619 53.620 0.231 1.00 0.00 H +ATOM 4326 H2 TIP3A1442 42.998 54.209 0.021 1.00 0.00 H +ATOM 4327 O1 TIP3A1443 32.412 9.467 41.862 1.00 0.00 O +ATOM 4328 H1 TIP3A1443 32.175 10.393 41.901 1.00 0.00 H +ATOM 4329 H2 TIP3A1443 33.183 9.440 41.294 1.00 0.00 H +ATOM 4330 O1 TIP3A1444 12.427 27.966 53.723 1.00 0.00 O +ATOM 4331 H1 TIP3A1444 11.709 27.394 53.994 1.00 0.00 H +ATOM 4332 H2 TIP3A1444 12.035 28.554 53.077 1.00 0.00 H +ATOM 4333 O1 TIP3A1445 18.745 46.316 51.830 1.00 0.00 O +ATOM 4334 H1 TIP3A1445 17.892 46.694 52.043 1.00 0.00 H +ATOM 4335 H2 TIP3A1445 19.318 47.072 51.701 1.00 0.00 H +ATOM 4336 O1 TIP3A1446 18.096 4.857 29.709 1.00 0.00 O +ATOM 4337 H1 TIP3A1446 17.494 4.192 29.379 1.00 0.00 H +ATOM 4338 H2 TIP3A1446 17.666 5.690 29.513 1.00 0.00 H +ATOM 4339 O1 TIP3A1447 6.017 44.430 12.764 1.00 0.00 O +ATOM 4340 H1 TIP3A1447 5.995 44.840 11.900 1.00 0.00 H +ATOM 4341 H2 TIP3A1447 5.229 44.751 13.202 1.00 0.00 H +ATOM 4342 O1 TIP3A1448 56.630 18.327 27.105 1.00 0.00 O +ATOM 4343 H1 TIP3A1448 56.800 18.011 26.218 1.00 0.00 H +ATOM 4344 H2 TIP3A1448 57.464 18.702 27.390 1.00 0.00 H +ATOM 4345 O1 TIP3A1449 21.614 49.286 36.123 1.00 0.00 O +ATOM 4346 H1 TIP3A1449 21.548 50.217 35.913 1.00 0.00 H +ATOM 4347 H2 TIP3A1449 20.724 48.950 36.008 1.00 0.00 H +ATOM 4348 O1 TIP3A1450 47.779 50.762 12.633 1.00 0.00 O +ATOM 4349 H1 TIP3A1450 48.020 51.579 12.197 1.00 0.00 H +ATOM 4350 H2 TIP3A1450 47.230 51.035 13.368 1.00 0.00 H +ATOM 4351 O1 TIP3A1451 30.939 39.790 0.516 1.00 0.00 O +ATOM 4352 H1 TIP3A1451 30.715 38.873 0.356 1.00 0.00 H +ATOM 4353 H2 TIP3A1451 30.305 40.286 -0.003 1.00 0.00 H +ATOM 4354 O1 TIP3A1452 14.811 12.492 49.408 1.00 0.00 O +ATOM 4355 H1 TIP3A1452 15.765 12.475 49.345 1.00 0.00 H +ATOM 4356 H2 TIP3A1452 14.602 13.397 49.642 1.00 0.00 H +ATOM 4357 O1 TIP3A1453 32.532 6.336 20.934 1.00 0.00 O +ATOM 4358 H1 TIP3A1453 32.078 6.514 21.757 1.00 0.00 H +ATOM 4359 H2 TIP3A1453 33.450 6.230 21.185 1.00 0.00 H +ATOM 4360 O1 TIP3A1454 9.759 16.722 16.213 1.00 0.00 O +ATOM 4361 H1 TIP3A1454 9.890 17.017 17.114 1.00 0.00 H +ATOM 4362 H2 TIP3A1454 8.975 16.174 16.252 1.00 0.00 H +ATOM 4363 O1 TIP3A1455 22.005 47.074 0.929 1.00 0.00 O +ATOM 4364 H1 TIP3A1455 22.161 46.911 -0.001 1.00 0.00 H +ATOM 4365 H2 TIP3A1455 21.235 47.644 0.947 1.00 0.00 H +ATOM 4366 O1 TIP3A1456 16.967 10.959 7.903 1.00 0.00 O +ATOM 4367 H1 TIP3A1456 17.909 10.797 7.951 1.00 0.00 H +ATOM 4368 H2 TIP3A1456 16.567 10.140 8.198 1.00 0.00 H +ATOM 4369 O1 TIP3A1457 18.633 47.652 55.620 1.00 0.00 O +ATOM 4370 H1 TIP3A1457 19.255 48.302 55.293 1.00 0.00 H +ATOM 4371 H2 TIP3A1457 18.444 47.931 56.516 1.00 0.00 H +ATOM 4372 O1 TIP3A1458 25.864 12.253 23.941 1.00 0.00 O +ATOM 4373 H1 TIP3A1458 25.948 11.425 24.413 1.00 0.00 H +ATOM 4374 H2 TIP3A1458 24.962 12.256 23.619 1.00 0.00 H +ATOM 4375 O1 TIP3A1459 21.474 34.738 32.494 1.00 0.00 O +ATOM 4376 H1 TIP3A1459 20.882 35.489 32.477 1.00 0.00 H +ATOM 4377 H2 TIP3A1459 22.150 34.950 31.849 1.00 0.00 H +ATOM 4378 O1 TIP3A1460 38.807 23.168 39.899 1.00 0.00 O +ATOM 4379 H1 TIP3A1460 39.311 23.974 39.799 1.00 0.00 H +ATOM 4380 H2 TIP3A1460 38.263 23.319 40.672 1.00 0.00 H +ATOM 4381 O1 TIP3A1461 17.042 9.216 20.850 1.00 0.00 O +ATOM 4382 H1 TIP3A1461 16.244 9.442 21.327 1.00 0.00 H +ATOM 4383 H2 TIP3A1461 17.736 9.255 21.509 1.00 0.00 H +ATOM 4384 O1 TIP3A1462 53.635 47.668 57.979 1.00 0.00 O +ATOM 4385 H1 TIP3A1462 53.807 47.026 57.291 1.00 0.00 H +ATOM 4386 H2 TIP3A1462 54.425 48.208 58.008 1.00 0.00 H +ATOM 4387 O1 TIP3A1463 50.249 23.495 24.459 1.00 0.00 O +ATOM 4388 H1 TIP3A1463 49.751 23.826 25.206 1.00 0.00 H +ATOM 4389 H2 TIP3A1463 50.529 22.619 24.726 1.00 0.00 H +ATOM 4390 O1 TIP3A1464 27.283 12.003 44.764 1.00 0.00 O +ATOM 4391 H1 TIP3A1464 26.573 11.372 44.880 1.00 0.00 H +ATOM 4392 H2 TIP3A1464 27.662 11.783 43.912 1.00 0.00 H +ATOM 4393 O1 TIP3A1465 48.688 52.370 49.379 1.00 0.00 O +ATOM 4394 H1 TIP3A1465 48.324 52.994 50.005 1.00 0.00 H +ATOM 4395 H2 TIP3A1465 48.113 52.434 48.615 1.00 0.00 H +ATOM 4396 O1 TIP3A1466 13.361 51.753 39.792 1.00 0.00 O +ATOM 4397 H1 TIP3A1466 13.650 51.488 40.665 1.00 0.00 H +ATOM 4398 H2 TIP3A1466 13.117 52.674 39.889 1.00 0.00 H +ATOM 4399 O1 TIP3A1467 0.402 40.718 19.679 1.00 0.00 O +ATOM 4400 H1 TIP3A1467 -0.003 40.053 19.123 1.00 0.00 H +ATOM 4401 H2 TIP3A1467 -0.005 41.541 19.405 1.00 0.00 H +ATOM 4402 O1 TIP3A1468 23.139 19.751 41.157 1.00 0.00 O +ATOM 4403 H1 TIP3A1468 22.486 20.445 41.078 1.00 0.00 H +ATOM 4404 H2 TIP3A1468 22.679 18.956 40.882 1.00 0.00 H +ATOM 4405 O1 TIP3A1469 32.093 16.670 10.428 1.00 0.00 O +ATOM 4406 H1 TIP3A1469 31.942 16.830 11.359 1.00 0.00 H +ATOM 4407 H2 TIP3A1469 31.545 15.912 10.223 1.00 0.00 H +ATOM 4408 O1 TIP3A1470 10.851 50.627 26.508 1.00 0.00 O +ATOM 4409 H1 TIP3A1470 10.151 50.293 27.067 1.00 0.00 H +ATOM 4410 H2 TIP3A1470 10.412 50.866 25.691 1.00 0.00 H +ATOM 4411 O1 TIP3A1471 4.297 56.869 56.536 1.00 0.00 O +ATOM 4412 H1 TIP3A1471 4.774 56.431 57.240 1.00 0.00 H +ATOM 4413 H2 TIP3A1471 3.928 56.155 56.015 1.00 0.00 H +ATOM 4414 O1 TIP3A1472 9.189 8.078 30.170 1.00 0.00 O +ATOM 4415 H1 TIP3A1472 9.694 8.798 29.795 1.00 0.00 H +ATOM 4416 H2 TIP3A1472 9.477 7.304 29.684 1.00 0.00 H +ATOM 4417 O1 TIP3A1473 38.190 52.180 29.584 1.00 0.00 O +ATOM 4418 H1 TIP3A1473 37.333 52.273 29.169 1.00 0.00 H +ATOM 4419 H2 TIP3A1473 37.996 51.905 30.480 1.00 0.00 H +ATOM 4420 O1 TIP3A1474 3.022 14.533 31.568 1.00 0.00 O +ATOM 4421 H1 TIP3A1474 2.169 14.669 31.156 1.00 0.00 H +ATOM 4422 H2 TIP3A1474 3.495 15.352 31.416 1.00 0.00 H +ATOM 4423 O1 TIP3A1475 41.738 31.676 48.127 1.00 0.00 O +ATOM 4424 H1 TIP3A1475 42.674 31.480 48.153 1.00 0.00 H +ATOM 4425 H2 TIP3A1475 41.378 31.044 47.504 1.00 0.00 H +ATOM 4426 O1 TIP3A1476 4.067 6.160 27.422 1.00 0.00 O +ATOM 4427 H1 TIP3A1476 3.609 6.523 28.179 1.00 0.00 H +ATOM 4428 H2 TIP3A1476 3.379 5.743 26.902 1.00 0.00 H +ATOM 4429 O1 TIP3A1477 57.474 55.578 38.095 1.00 0.00 O +ATOM 4430 H1 TIP3A1477 57.563 56.326 38.684 1.00 0.00 H +ATOM 4431 H2 TIP3A1477 56.774 55.050 38.480 1.00 0.00 H +ATOM 4432 O1 TIP3A1478 48.068 37.370 16.307 1.00 0.00 O +ATOM 4433 H1 TIP3A1478 47.954 38.248 16.670 1.00 0.00 H +ATOM 4434 H2 TIP3A1478 48.651 36.928 16.926 1.00 0.00 H +ATOM 4435 O1 TIP3A1479 17.210 23.921 45.040 1.00 0.00 O +ATOM 4436 H1 TIP3A1479 17.857 23.244 44.846 1.00 0.00 H +ATOM 4437 H2 TIP3A1479 16.677 23.978 44.247 1.00 0.00 H +ATOM 4438 O1 TIP3A1480 32.950 19.630 44.349 1.00 0.00 O +ATOM 4439 H1 TIP3A1480 33.400 19.005 43.783 1.00 0.00 H +ATOM 4440 H2 TIP3A1480 33.629 19.942 44.949 1.00 0.00 H +ATOM 4441 O1 TIP3A1481 13.585 4.308 44.851 1.00 0.00 O +ATOM 4442 H1 TIP3A1481 13.153 3.468 44.999 1.00 0.00 H +ATOM 4443 H2 TIP3A1481 14.165 4.416 45.606 1.00 0.00 H +ATOM 4444 O1 TIP3A1482 1.127 53.023 22.044 1.00 0.00 O +ATOM 4445 H1 TIP3A1482 0.890 53.946 21.957 1.00 0.00 H +ATOM 4446 H2 TIP3A1482 1.945 52.939 21.554 1.00 0.00 H +ATOM 4447 O1 TIP3A1483 39.094 18.406 35.522 1.00 0.00 O +ATOM 4448 H1 TIP3A1483 38.876 17.480 35.627 1.00 0.00 H +ATOM 4449 H2 TIP3A1483 38.248 18.853 35.510 1.00 0.00 H +ATOM 4450 O1 TIP3A1484 55.790 28.592 15.292 1.00 0.00 O +ATOM 4451 H1 TIP3A1484 55.339 28.620 14.449 1.00 0.00 H +ATOM 4452 H2 TIP3A1484 56.470 29.263 15.222 1.00 0.00 H +ATOM 4453 O1 TIP3A1485 7.885 42.482 38.728 1.00 0.00 O +ATOM 4454 H1 TIP3A1485 7.709 42.145 39.606 1.00 0.00 H +ATOM 4455 H2 TIP3A1485 8.673 42.017 38.446 1.00 0.00 H +ATOM 4456 O1 TIP3A1486 23.082 13.579 34.425 1.00 0.00 O +ATOM 4457 H1 TIP3A1486 22.220 13.315 34.745 1.00 0.00 H +ATOM 4458 H2 TIP3A1486 22.914 13.951 33.559 1.00 0.00 H +ATOM 4459 O1 TIP3A1487 5.264 48.610 31.911 1.00 0.00 O +ATOM 4460 H1 TIP3A1487 4.426 48.968 32.202 1.00 0.00 H +ATOM 4461 H2 TIP3A1487 5.040 47.766 31.517 1.00 0.00 H +ATOM 4462 O1 TIP3A1488 55.943 11.234 0.798 1.00 0.00 O +ATOM 4463 H1 TIP3A1488 55.365 11.990 0.897 1.00 0.00 H +ATOM 4464 H2 TIP3A1488 56.669 11.555 0.263 1.00 0.00 H +ATOM 4465 O1 TIP3A1489 39.838 41.177 46.563 1.00 0.00 O +ATOM 4466 H1 TIP3A1489 40.517 41.626 47.065 1.00 0.00 H +ATOM 4467 H2 TIP3A1489 39.361 41.880 46.122 1.00 0.00 H +ATOM 4468 O1 TIP3A1490 26.286 39.852 42.405 1.00 0.00 O +ATOM 4469 H1 TIP3A1490 25.334 39.817 42.497 1.00 0.00 H +ATOM 4470 H2 TIP3A1490 26.619 39.411 43.187 1.00 0.00 H +ATOM 4471 O1 TIP3A1491 58.003 21.901 5.825 1.00 0.00 O +ATOM 4472 H1 TIP3A1491 57.439 22.552 6.241 1.00 0.00 H +ATOM 4473 H2 TIP3A1491 57.454 21.119 5.754 1.00 0.00 H +ATOM 4474 O1 TIP3A1492 28.214 43.111 16.350 1.00 0.00 O +ATOM 4475 H1 TIP3A1492 28.819 42.805 17.025 1.00 0.00 H +ATOM 4476 H2 TIP3A1492 28.713 43.048 15.534 1.00 0.00 H +ATOM 4477 O1 TIP3A1493 29.834 43.917 4.693 1.00 0.00 O +ATOM 4478 H1 TIP3A1493 30.496 43.228 4.644 1.00 0.00 H +ATOM 4479 H2 TIP3A1493 29.141 43.627 4.099 1.00 0.00 H +ATOM 4480 O1 TIP3A1494 18.419 1.224 23.465 1.00 0.00 O +ATOM 4481 H1 TIP3A1494 19.229 0.748 23.647 1.00 0.00 H +ATOM 4482 H2 TIP3A1494 18.710 2.055 23.088 1.00 0.00 H +ATOM 4483 O1 TIP3A1495 32.914 9.601 54.376 1.00 0.00 O +ATOM 4484 H1 TIP3A1495 33.398 8.871 53.991 1.00 0.00 H +ATOM 4485 H2 TIP3A1495 32.173 9.736 53.785 1.00 0.00 H +ATOM 4486 O1 TIP3A1496 29.737 41.928 33.997 1.00 0.00 O +ATOM 4487 H1 TIP3A1496 29.735 40.972 34.023 1.00 0.00 H +ATOM 4488 H2 TIP3A1496 28.952 42.156 33.497 1.00 0.00 H +ATOM 4489 O1 TIP3A1497 33.612 21.296 31.101 1.00 0.00 O +ATOM 4490 H1 TIP3A1497 33.737 21.930 30.395 1.00 0.00 H +ATOM 4491 H2 TIP3A1497 32.665 21.279 31.243 1.00 0.00 H +ATOM 4492 O1 TIP3A1498 4.445 26.146 7.054 1.00 0.00 O +ATOM 4493 H1 TIP3A1498 4.126 25.361 7.498 1.00 0.00 H +ATOM 4494 H2 TIP3A1498 5.191 26.433 7.581 1.00 0.00 H +ATOM 4495 O1 TIP3A1499 22.917 35.814 14.071 1.00 0.00 O +ATOM 4496 H1 TIP3A1499 22.171 35.740 13.478 1.00 0.00 H +ATOM 4497 H2 TIP3A1499 23.485 36.468 13.664 1.00 0.00 H +ATOM 4498 O1 TIP3A1500 45.444 2.202 43.756 1.00 0.00 O +ATOM 4499 H1 TIP3A1500 44.546 2.434 43.521 1.00 0.00 H +ATOM 4500 H2 TIP3A1500 45.988 2.712 43.155 1.00 0.00 H +ATOM 4501 O1 TIP3A1501 40.922 12.814 51.029 1.00 0.00 O +ATOM 4502 H1 TIP3A1501 40.140 13.157 51.461 1.00 0.00 H +ATOM 4503 H2 TIP3A1501 41.500 13.573 50.940 1.00 0.00 H +ATOM 4504 O1 TIP3A1502 32.610 53.768 2.594 1.00 0.00 O +ATOM 4505 H1 TIP3A1502 33.478 53.564 2.248 1.00 0.00 H +ATOM 4506 H2 TIP3A1502 32.741 53.847 3.539 1.00 0.00 H +ATOM 4507 O1 TIP3A1503 48.389 45.915 57.987 1.00 0.00 O +ATOM 4508 H1 TIP3A1503 48.842 45.170 57.593 1.00 0.00 H +ATOM 4509 H2 TIP3A1503 48.596 46.653 57.413 1.00 0.00 H +ATOM 4510 O1 TIP3A1504 57.987 22.360 57.845 1.00 0.00 O +ATOM 4511 H1 TIP3A1504 57.065 22.157 57.692 1.00 0.00 H +ATOM 4512 H2 TIP3A1504 58.002 23.305 58.001 1.00 0.00 H +ATOM 4513 O1 TIP3A1505 5.309 29.921 15.912 1.00 0.00 O +ATOM 4514 H1 TIP3A1505 4.453 29.532 16.087 1.00 0.00 H +ATOM 4515 H2 TIP3A1505 5.237 30.272 15.024 1.00 0.00 H +ATOM 4516 O1 TIP3A1506 10.723 8.154 56.022 1.00 0.00 O +ATOM 4517 H1 TIP3A1506 11.073 8.844 56.585 1.00 0.00 H +ATOM 4518 H2 TIP3A1506 10.065 8.595 55.484 1.00 0.00 H +ATOM 4519 O1 TIP3A1507 42.521 6.365 25.655 1.00 0.00 O +ATOM 4520 H1 TIP3A1507 43.465 6.511 25.617 1.00 0.00 H +ATOM 4521 H2 TIP3A1507 42.334 6.240 26.586 1.00 0.00 H +ATOM 4522 O1 TIP3A1508 47.900 34.463 52.267 1.00 0.00 O +ATOM 4523 H1 TIP3A1508 48.785 34.589 52.608 1.00 0.00 H +ATOM 4524 H2 TIP3A1508 47.996 33.791 51.591 1.00 0.00 H +ATOM 4525 O1 TIP3A1509 35.964 45.566 24.203 1.00 0.00 O +ATOM 4526 H1 TIP3A1509 35.464 45.421 25.005 1.00 0.00 H +ATOM 4527 H2 TIP3A1509 36.875 45.618 24.494 1.00 0.00 H +ATOM 4528 O1 TIP3A1510 41.442 29.208 13.832 1.00 0.00 O +ATOM 4529 H1 TIP3A1510 41.456 30.149 13.665 1.00 0.00 H +ATOM 4530 H2 TIP3A1510 41.037 28.832 13.049 1.00 0.00 H +ATOM 4531 O1 TIP3A1511 55.001 2.044 16.469 1.00 0.00 O +ATOM 4532 H1 TIP3A1511 55.617 2.129 17.195 1.00 0.00 H +ATOM 4533 H2 TIP3A1511 54.140 2.176 16.868 1.00 0.00 H +ATOM 4534 O1 TIP3A1512 36.042 1.689 31.340 1.00 0.00 O +ATOM 4535 H1 TIP3A1512 36.623 2.425 31.150 1.00 0.00 H +ATOM 4536 H2 TIP3A1512 36.136 1.108 30.585 1.00 0.00 H +ATOM 4537 O1 TIP3A1513 44.645 47.739 37.943 1.00 0.00 O +ATOM 4538 H1 TIP3A1513 43.961 47.305 37.435 1.00 0.00 H +ATOM 4539 H2 TIP3A1513 45.321 47.957 37.300 1.00 0.00 H +ATOM 4540 O1 TIP3A1514 23.821 22.955 18.466 1.00 0.00 O +ATOM 4541 H1 TIP3A1514 23.389 22.662 17.664 1.00 0.00 H +ATOM 4542 H2 TIP3A1514 24.342 23.711 18.196 1.00 0.00 H +ATOM 4543 O1 TIP3A1515 19.496 17.746 45.372 1.00 0.00 O +ATOM 4544 H1 TIP3A1515 19.086 16.881 45.395 1.00 0.00 H +ATOM 4545 H2 TIP3A1515 20.243 17.673 45.967 1.00 0.00 H +ATOM 4546 O1 TIP3A1516 30.324 5.111 29.392 1.00 0.00 O +ATOM 4547 H1 TIP3A1516 29.392 4.953 29.544 1.00 0.00 H +ATOM 4548 H2 TIP3A1516 30.755 4.309 29.689 1.00 0.00 H +ATOM 4549 O1 TIP3A1517 56.697 52.173 6.767 1.00 0.00 O +ATOM 4550 H1 TIP3A1517 56.747 53.052 7.142 1.00 0.00 H +ATOM 4551 H2 TIP3A1517 57.574 51.809 6.892 1.00 0.00 H +ATOM 4552 O1 TIP3A1518 7.958 39.630 32.708 1.00 0.00 O +ATOM 4553 H1 TIP3A1518 7.682 38.731 32.531 1.00 0.00 H +ATOM 4554 H2 TIP3A1518 7.456 40.161 32.090 1.00 0.00 H +ATOM 4555 O1 TIP3A1519 43.873 27.456 48.294 1.00 0.00 O +ATOM 4556 H1 TIP3A1519 44.308 26.604 48.314 1.00 0.00 H +ATOM 4557 H2 TIP3A1519 42.939 27.248 48.269 1.00 0.00 H +ATOM 4558 O1 TIP3A1520 2.021 17.094 14.399 1.00 0.00 O +ATOM 4559 H1 TIP3A1520 2.479 16.552 15.041 1.00 0.00 H +ATOM 4560 H2 TIP3A1520 1.813 16.494 13.682 1.00 0.00 H +ATOM 4561 O1 TIP3A1521 12.901 50.405 17.953 1.00 0.00 O +ATOM 4562 H1 TIP3A1521 12.072 50.093 18.313 1.00 0.00 H +ATOM 4563 H2 TIP3A1521 13.397 49.606 17.767 1.00 0.00 H +ATOM 4564 O1 TIP3A1522 31.409 28.691 27.794 1.00 0.00 O +ATOM 4565 H1 TIP3A1522 31.114 27.783 27.735 1.00 0.00 H +ATOM 4566 H2 TIP3A1522 30.885 29.069 28.501 1.00 0.00 H +ATOM 4567 O1 TIP3A1523 28.759 8.415 49.372 1.00 0.00 O +ATOM 4568 H1 TIP3A1523 27.826 8.203 49.358 1.00 0.00 H +ATOM 4569 H2 TIP3A1523 28.879 9.019 48.638 1.00 0.00 H +ATOM 4570 O1 TIP3A1524 32.139 25.186 13.852 1.00 0.00 O +ATOM 4571 H1 TIP3A1524 31.519 25.100 13.128 1.00 0.00 H +ATOM 4572 H2 TIP3A1524 31.614 25.030 14.638 1.00 0.00 H +ATOM 4573 O1 TIP3A1525 5.423 5.399 25.141 1.00 0.00 O +ATOM 4574 H1 TIP3A1525 4.687 4.787 25.121 1.00 0.00 H +ATOM 4575 H2 TIP3A1525 6.074 4.972 25.699 1.00 0.00 H +ATOM 4576 O1 TIP3A1526 8.835 53.725 52.812 1.00 0.00 O +ATOM 4577 H1 TIP3A1526 9.316 53.491 52.020 1.00 0.00 H +ATOM 4578 H2 TIP3A1526 8.865 52.936 53.354 1.00 0.00 H +ATOM 4579 O1 TIP3A1527 47.372 8.297 4.131 1.00 0.00 O +ATOM 4580 H1 TIP3A1527 46.673 7.681 3.911 1.00 0.00 H +ATOM 4581 H2 TIP3A1527 47.820 7.895 4.875 1.00 0.00 H +ATOM 4582 O1 TIP3A1528 13.955 19.947 18.332 1.00 0.00 O +ATOM 4583 H1 TIP3A1528 13.298 19.320 18.633 1.00 0.00 H +ATOM 4584 H2 TIP3A1528 13.764 20.068 17.402 1.00 0.00 H +ATOM 4585 O1 TIP3A1529 48.386 18.214 55.784 1.00 0.00 O +ATOM 4586 H1 TIP3A1529 48.720 17.321 55.855 1.00 0.00 H +ATOM 4587 H2 TIP3A1529 47.478 18.109 55.496 1.00 0.00 H +ATOM 4588 O1 TIP3A1530 38.822 25.831 48.841 1.00 0.00 O +ATOM 4589 H1 TIP3A1530 39.746 25.668 48.657 1.00 0.00 H +ATOM 4590 H2 TIP3A1530 38.351 25.283 48.212 1.00 0.00 H +ATOM 4591 O1 TIP3A1531 0.297 10.243 50.020 1.00 0.00 O +ATOM 4592 H1 TIP3A1531 -0.000 10.907 50.641 1.00 0.00 H +ATOM 4593 H2 TIP3A1531 1.015 10.662 49.545 1.00 0.00 H +ATOM 4594 O1 TIP3A1532 12.565 10.308 49.884 1.00 0.00 O +ATOM 4595 H1 TIP3A1532 12.969 10.424 50.743 1.00 0.00 H +ATOM 4596 H2 TIP3A1532 12.055 11.107 49.749 1.00 0.00 H +ATOM 4597 O1 TIP3A1533 0.960 32.616 52.763 1.00 0.00 O +ATOM 4598 H1 TIP3A1533 1.074 31.668 52.820 1.00 0.00 H +ATOM 4599 H2 TIP3A1533 0.376 32.743 52.015 1.00 0.00 H +ATOM 4600 O1 TIP3A1534 12.109 26.802 30.693 1.00 0.00 O +ATOM 4601 H1 TIP3A1534 11.337 26.800 31.257 1.00 0.00 H +ATOM 4602 H2 TIP3A1534 12.041 25.989 30.191 1.00 0.00 H +ATOM 4603 O1 TIP3A1535 2.454 3.864 0.662 1.00 0.00 O +ATOM 4604 H1 TIP3A1535 1.659 3.853 1.194 1.00 0.00 H +ATOM 4605 H2 TIP3A1535 2.525 2.973 0.318 1.00 0.00 H +ATOM 4606 O1 TIP3A1536 53.423 38.490 22.204 1.00 0.00 O +ATOM 4607 H1 TIP3A1536 52.680 39.010 22.510 1.00 0.00 H +ATOM 4608 H2 TIP3A1536 54.103 39.135 22.008 1.00 0.00 H +ATOM 4609 O1 TIP3A1537 28.958 44.764 47.818 1.00 0.00 O +ATOM 4610 H1 TIP3A1537 29.818 44.622 47.424 1.00 0.00 H +ATOM 4611 H2 TIP3A1537 28.936 45.700 48.018 1.00 0.00 H +ATOM 4612 O1 TIP3A1538 50.964 23.855 42.751 1.00 0.00 O +ATOM 4613 H1 TIP3A1538 50.621 24.748 42.725 1.00 0.00 H +ATOM 4614 H2 TIP3A1538 50.388 23.394 43.362 1.00 0.00 H +ATOM 4615 O1 TIP3A1539 3.044 6.369 2.124 1.00 0.00 O +ATOM 4616 H1 TIP3A1539 3.643 7.113 2.180 1.00 0.00 H +ATOM 4617 H2 TIP3A1539 2.679 6.288 3.006 1.00 0.00 H +ATOM 4618 O1 TIP3A1540 44.045 38.985 53.800 1.00 0.00 O +ATOM 4619 H1 TIP3A1540 43.601 38.152 53.953 1.00 0.00 H +ATOM 4620 H2 TIP3A1540 44.816 38.954 54.367 1.00 0.00 H +ATOM 4621 O1 TIP3A1541 28.191 55.138 7.800 1.00 0.00 O +ATOM 4622 H1 TIP3A1541 27.593 55.794 8.156 1.00 0.00 H +ATOM 4623 H2 TIP3A1541 27.743 54.801 7.023 1.00 0.00 H +ATOM 4624 O1 TIP3A1542 17.015 45.913 55.443 1.00 0.00 O +ATOM 4625 H1 TIP3A1542 16.632 46.504 54.795 1.00 0.00 H +ATOM 4626 H2 TIP3A1542 16.812 46.318 56.287 1.00 0.00 H +ATOM 4627 O1 TIP3A1543 11.513 35.852 46.071 1.00 0.00 O +ATOM 4628 H1 TIP3A1543 10.822 35.435 46.585 1.00 0.00 H +ATOM 4629 H2 TIP3A1543 12.148 36.153 46.723 1.00 0.00 H +ATOM 4630 O1 TIP3A1544 21.274 14.683 6.192 1.00 0.00 O +ATOM 4631 H1 TIP3A1544 21.557 13.824 5.882 1.00 0.00 H +ATOM 4632 H2 TIP3A1544 20.354 14.741 5.932 1.00 0.00 H +ATOM 4633 O1 TIP3A1545 21.343 9.993 37.062 1.00 0.00 O +ATOM 4634 H1 TIP3A1545 20.504 9.541 37.142 1.00 0.00 H +ATOM 4635 H2 TIP3A1545 21.987 9.289 36.974 1.00 0.00 H +ATOM 4636 O1 TIP3A1546 22.243 41.105 12.371 1.00 0.00 O +ATOM 4637 H1 TIP3A1546 23.175 41.318 12.395 1.00 0.00 H +ATOM 4638 H2 TIP3A1546 22.183 40.358 11.775 1.00 0.00 H +ATOM 4639 O1 TIP3A1547 32.834 1.089 12.601 1.00 0.00 O +ATOM 4640 H1 TIP3A1547 33.172 1.984 12.613 1.00 0.00 H +ATOM 4641 H2 TIP3A1547 32.182 1.069 13.302 1.00 0.00 H +ATOM 4642 O1 TIP3A1548 8.228 35.848 1.904 1.00 0.00 O +ATOM 4643 H1 TIP3A1548 7.301 36.060 2.003 1.00 0.00 H +ATOM 4644 H2 TIP3A1548 8.558 36.496 1.281 1.00 0.00 H +ATOM 4645 O1 TIP3A1549 16.137 53.444 41.165 1.00 0.00 O +ATOM 4646 H1 TIP3A1549 17.032 53.109 41.127 1.00 0.00 H +ATOM 4647 H2 TIP3A1549 15.615 52.788 40.702 1.00 0.00 H +ATOM 4648 O1 TIP3A1550 3.983 36.607 42.093 1.00 0.00 O +ATOM 4649 H1 TIP3A1550 4.446 37.304 42.557 1.00 0.00 H +ATOM 4650 H2 TIP3A1550 3.532 36.118 42.782 1.00 0.00 H +ATOM 4651 O1 TIP3A1551 5.739 12.235 44.394 1.00 0.00 O +ATOM 4652 H1 TIP3A1551 5.071 12.170 45.076 1.00 0.00 H +ATOM 4653 H2 TIP3A1551 5.255 12.131 43.574 1.00 0.00 H +ATOM 4654 O1 TIP3A1552 50.234 19.443 53.199 1.00 0.00 O +ATOM 4655 H1 TIP3A1552 51.065 18.982 53.313 1.00 0.00 H +ATOM 4656 H2 TIP3A1552 50.284 20.181 53.807 1.00 0.00 H +ATOM 4657 O1 TIP3A1553 13.690 8.419 20.923 1.00 0.00 O +ATOM 4658 H1 TIP3A1553 14.440 7.832 20.836 1.00 0.00 H +ATOM 4659 H2 TIP3A1553 12.929 7.866 20.741 1.00 0.00 H +ATOM 4660 O1 TIP3A1554 26.584 16.333 49.065 1.00 0.00 O +ATOM 4661 H1 TIP3A1554 25.698 16.352 48.704 1.00 0.00 H +ATOM 4662 H2 TIP3A1554 26.675 17.170 49.522 1.00 0.00 H +ATOM 4663 O1 TIP3A1555 11.890 27.979 43.215 1.00 0.00 O +ATOM 4664 H1 TIP3A1555 11.883 27.023 43.250 1.00 0.00 H +ATOM 4665 H2 TIP3A1555 10.984 28.219 43.022 1.00 0.00 H +ATOM 4666 O1 TIP3A1556 41.613 24.642 54.345 1.00 0.00 O +ATOM 4667 H1 TIP3A1556 42.205 23.896 54.256 1.00 0.00 H +ATOM 4668 H2 TIP3A1556 41.083 24.438 55.117 1.00 0.00 H +ATOM 4669 O1 TIP3A1557 13.944 52.226 28.637 1.00 0.00 O +ATOM 4670 H1 TIP3A1557 13.626 52.145 27.738 1.00 0.00 H +ATOM 4671 H2 TIP3A1557 13.278 52.752 29.081 1.00 0.00 H +ATOM 4672 O1 TIP3A1558 6.641 36.898 20.665 1.00 0.00 O +ATOM 4673 H1 TIP3A1558 6.423 35.967 20.676 1.00 0.00 H +ATOM 4674 H2 TIP3A1558 7.343 36.988 21.311 1.00 0.00 H +ATOM 4675 O1 TIP3A1559 18.019 24.619 22.992 1.00 0.00 O +ATOM 4676 H1 TIP3A1559 17.968 24.164 23.832 1.00 0.00 H +ATOM 4677 H2 TIP3A1559 17.485 25.405 23.111 1.00 0.00 H +ATOM 4678 O1 TIP3A1560 0.005 24.274 33.781 1.00 0.00 O +ATOM 4679 H1 TIP3A1560 0.114 24.613 32.893 1.00 0.00 H +ATOM 4680 H2 TIP3A1560 0.283 23.359 33.723 1.00 0.00 H +ATOM 4681 O1 TIP3A1561 31.234 22.980 20.968 1.00 0.00 O +ATOM 4682 H1 TIP3A1561 31.252 23.921 21.141 1.00 0.00 H +ATOM 4683 H2 TIP3A1561 30.777 22.606 21.722 1.00 0.00 H +ATOM 4684 O1 TIP3A1562 44.810 21.617 4.193 1.00 0.00 O +ATOM 4685 H1 TIP3A1562 44.113 20.996 4.403 1.00 0.00 H +ATOM 4686 H2 TIP3A1562 44.727 21.761 3.250 1.00 0.00 H +ATOM 4687 O1 TIP3A1563 36.054 18.062 45.968 1.00 0.00 O +ATOM 4688 H1 TIP3A1563 35.738 18.624 46.674 1.00 0.00 H +ATOM 4689 H2 TIP3A1563 37.001 18.203 45.954 1.00 0.00 H +ATOM 4690 O1 TIP3A1564 48.288 56.801 0.741 1.00 0.00 O +ATOM 4691 H1 TIP3A1564 48.216 56.077 1.362 1.00 0.00 H +ATOM 4692 H2 TIP3A1564 48.966 56.523 0.125 1.00 0.00 H +ATOM 4693 O1 TIP3A1565 16.674 12.891 38.868 1.00 0.00 O +ATOM 4694 H1 TIP3A1565 17.203 13.030 38.084 1.00 0.00 H +ATOM 4695 H2 TIP3A1565 16.787 13.693 39.379 1.00 0.00 H +ATOM 4696 O1 TIP3A1566 44.359 8.707 46.649 1.00 0.00 O +ATOM 4697 H1 TIP3A1566 43.450 8.991 46.747 1.00 0.00 H +ATOM 4698 H2 TIP3A1566 44.433 7.939 47.217 1.00 0.00 H +ATOM 4699 O1 TIP3A1567 45.974 22.142 15.771 1.00 0.00 O +ATOM 4700 H1 TIP3A1567 46.842 22.320 16.131 1.00 0.00 H +ATOM 4701 H2 TIP3A1567 45.500 21.717 16.486 1.00 0.00 H +ATOM 4702 O1 TIP3A1568 36.774 30.000 49.084 1.00 0.00 O +ATOM 4703 H1 TIP3A1568 37.504 29.432 48.841 1.00 0.00 H +ATOM 4704 H2 TIP3A1568 37.050 30.409 49.904 1.00 0.00 H +ATOM 4705 O1 TIP3A1569 3.046 41.398 39.725 1.00 0.00 O +ATOM 4706 H1 TIP3A1569 3.720 41.408 40.404 1.00 0.00 H +ATOM 4707 H2 TIP3A1569 3.499 41.688 38.932 1.00 0.00 H +ATOM 4708 O1 TIP3A1570 27.679 6.931 5.754 1.00 0.00 O +ATOM 4709 H1 TIP3A1570 26.764 6.980 6.027 1.00 0.00 H +ATOM 4710 H2 TIP3A1570 27.661 7.119 4.815 1.00 0.00 H +ATOM 4711 O1 TIP3A1571 20.426 27.243 15.708 1.00 0.00 O +ATOM 4712 H1 TIP3A1571 21.166 26.661 15.881 1.00 0.00 H +ATOM 4713 H2 TIP3A1571 20.801 28.123 15.737 1.00 0.00 H +ATOM 4714 O1 TIP3A1572 8.258 13.340 34.274 1.00 0.00 O +ATOM 4715 H1 TIP3A1572 8.542 12.486 34.598 1.00 0.00 H +ATOM 4716 H2 TIP3A1572 7.521 13.144 33.694 1.00 0.00 H +ATOM 4717 O1 TIP3A1573 36.227 55.143 28.423 1.00 0.00 O +ATOM 4718 H1 TIP3A1573 35.798 54.338 28.709 1.00 0.00 H +ATOM 4719 H2 TIP3A1573 35.742 55.843 28.862 1.00 0.00 H +ATOM 4720 O1 TIP3A1574 42.441 25.359 10.891 1.00 0.00 O +ATOM 4721 H1 TIP3A1574 41.884 25.591 10.149 1.00 0.00 H +ATOM 4722 H2 TIP3A1574 43.297 25.181 10.503 1.00 0.00 H +ATOM 4723 O1 TIP3A1575 55.427 27.819 32.941 1.00 0.00 O +ATOM 4724 H1 TIP3A1575 55.811 28.681 33.096 1.00 0.00 H +ATOM 4725 H2 TIP3A1575 55.920 27.230 33.513 1.00 0.00 H +ATOM 4726 O1 TIP3A1576 36.462 18.670 36.820 1.00 0.00 O +ATOM 4727 H1 TIP3A1576 37.094 18.165 37.331 1.00 0.00 H +ATOM 4728 H2 TIP3A1576 35.794 18.032 36.566 1.00 0.00 H +ATOM 4729 O1 TIP3A1577 51.419 26.985 54.533 1.00 0.00 O +ATOM 4730 H1 TIP3A1577 52.310 26.885 54.198 1.00 0.00 H +ATOM 4731 H2 TIP3A1577 51.533 27.328 55.419 1.00 0.00 H +ATOM 4732 O1 TIP3A1578 37.331 33.092 22.497 1.00 0.00 O +ATOM 4733 H1 TIP3A1578 37.566 33.944 22.129 1.00 0.00 H +ATOM 4734 H2 TIP3A1578 36.662 32.751 21.904 1.00 0.00 H +ATOM 4735 O1 TIP3A1579 39.683 22.625 25.259 1.00 0.00 O +ATOM 4736 H1 TIP3A1579 40.129 23.391 25.619 1.00 0.00 H +ATOM 4737 H2 TIP3A1579 38.769 22.897 25.175 1.00 0.00 H +ATOM 4738 O1 TIP3A1580 13.449 39.528 4.874 1.00 0.00 O +ATOM 4739 H1 TIP3A1580 13.277 39.415 5.809 1.00 0.00 H +ATOM 4740 H2 TIP3A1580 14.346 39.862 4.834 1.00 0.00 H +ATOM 4741 O1 TIP3A1581 5.056 22.948 56.590 1.00 0.00 O +ATOM 4742 H1 TIP3A1581 5.961 22.716 56.798 1.00 0.00 H +ATOM 4743 H2 TIP3A1581 4.983 23.871 56.835 1.00 0.00 H +ATOM 4744 O1 TIP3A1582 5.473 1.476 52.203 1.00 0.00 O +ATOM 4745 H1 TIP3A1582 5.175 2.383 52.261 1.00 0.00 H +ATOM 4746 H2 TIP3A1582 6.428 1.533 52.249 1.00 0.00 H +ATOM 4747 O1 TIP3A1583 15.637 43.014 46.343 1.00 0.00 O +ATOM 4748 H1 TIP3A1583 15.696 42.181 46.808 1.00 0.00 H +ATOM 4749 H2 TIP3A1583 14.937 43.491 46.790 1.00 0.00 H +ATOM 4750 O1 TIP3A1584 43.789 14.417 2.050 1.00 0.00 O +ATOM 4751 H1 TIP3A1584 44.497 14.367 1.409 1.00 0.00 H +ATOM 4752 H2 TIP3A1584 43.879 15.287 2.440 1.00 0.00 H +ATOM 4753 O1 TIP3A1585 9.011 55.565 45.814 1.00 0.00 O +ATOM 4754 H1 TIP3A1585 9.117 54.822 45.221 1.00 0.00 H +ATOM 4755 H2 TIP3A1585 8.231 55.352 46.328 1.00 0.00 H +ATOM 4756 O1 TIP3A1586 26.642 4.728 26.244 1.00 0.00 O +ATOM 4757 H1 TIP3A1586 26.071 4.238 26.835 1.00 0.00 H +ATOM 4758 H2 TIP3A1586 26.116 4.855 25.453 1.00 0.00 H +ATOM 4759 O1 TIP3A1587 57.271 27.955 38.140 1.00 0.00 O +ATOM 4760 H1 TIP3A1587 58.000 27.337 38.113 1.00 0.00 H +ATOM 4761 H2 TIP3A1587 57.523 28.595 38.807 1.00 0.00 H +ATOM 4762 O1 TIP3A1588 40.529 9.694 48.167 1.00 0.00 O +ATOM 4763 H1 TIP3A1588 39.631 9.749 48.492 1.00 0.00 H +ATOM 4764 H2 TIP3A1588 40.608 10.428 47.556 1.00 0.00 H +ATOM 4765 O1 TIP3A1589 23.727 53.537 11.288 1.00 0.00 O +ATOM 4766 H1 TIP3A1589 24.603 53.811 11.017 1.00 0.00 H +ATOM 4767 H2 TIP3A1589 23.687 53.749 12.221 1.00 0.00 H +ATOM 4768 O1 TIP3A1590 28.353 55.795 5.143 1.00 0.00 O +ATOM 4769 H1 TIP3A1590 28.086 55.098 4.544 1.00 0.00 H +ATOM 4770 H2 TIP3A1590 27.663 56.455 5.066 1.00 0.00 H +ATOM 4771 O1 TIP3A1591 27.296 3.868 42.042 1.00 0.00 O +ATOM 4772 H1 TIP3A1591 26.896 4.424 41.374 1.00 0.00 H +ATOM 4773 H2 TIP3A1591 28.236 4.039 41.966 1.00 0.00 H +ATOM 4774 O1 TIP3A1592 30.842 7.662 49.713 1.00 0.00 O +ATOM 4775 H1 TIP3A1592 30.458 6.787 49.683 1.00 0.00 H +ATOM 4776 H2 TIP3A1592 31.527 7.602 50.379 1.00 0.00 H +ATOM 4777 O1 TIP3A1593 48.734 32.668 28.618 1.00 0.00 O +ATOM 4778 H1 TIP3A1593 48.534 31.909 28.072 1.00 0.00 H +ATOM 4779 H2 TIP3A1593 47.923 33.178 28.627 1.00 0.00 H +ATOM 4780 O1 TIP3A1594 25.484 24.692 47.944 1.00 0.00 O +ATOM 4781 H1 TIP3A1594 24.574 24.408 48.030 1.00 0.00 H +ATOM 4782 H2 TIP3A1594 25.840 24.149 47.241 1.00 0.00 H +ATOM 4783 O1 TIP3A1595 53.962 40.219 26.268 1.00 0.00 O +ATOM 4784 H1 TIP3A1595 53.480 41.044 26.229 1.00 0.00 H +ATOM 4785 H2 TIP3A1595 53.327 39.584 26.600 1.00 0.00 H +ATOM 4786 O1 TIP3A1596 49.886 10.225 46.777 1.00 0.00 O +ATOM 4787 H1 TIP3A1596 49.370 9.432 46.638 1.00 0.00 H +ATOM 4788 H2 TIP3A1596 50.514 9.986 47.460 1.00 0.00 H +ATOM 4789 O1 TIP3A1597 27.487 5.759 39.713 1.00 0.00 O +ATOM 4790 H1 TIP3A1597 27.683 6.690 39.617 1.00 0.00 H +ATOM 4791 H2 TIP3A1597 27.804 5.362 38.902 1.00 0.00 H +ATOM 4792 O1 TIP3A1598 29.507 29.561 26.829 1.00 0.00 O +ATOM 4793 H1 TIP3A1598 28.812 29.913 27.383 1.00 0.00 H +ATOM 4794 H2 TIP3A1598 29.548 30.162 26.084 1.00 0.00 H +ATOM 4795 O1 TIP3A1599 44.910 28.008 23.456 1.00 0.00 O +ATOM 4796 H1 TIP3A1599 45.805 28.267 23.671 1.00 0.00 H +ATOM 4797 H2 TIP3A1599 44.898 27.058 23.577 1.00 0.00 H +ATOM 4798 O1 TIP3A1600 24.679 9.054 18.788 1.00 0.00 O +ATOM 4799 H1 TIP3A1600 24.023 9.748 18.841 1.00 0.00 H +ATOM 4800 H2 TIP3A1600 24.207 8.304 18.426 1.00 0.00 H +ATOM 4801 O1 TIP3A1601 23.568 48.195 2.886 1.00 0.00 O +ATOM 4802 H1 TIP3A1601 22.719 47.755 2.895 1.00 0.00 H +ATOM 4803 H2 TIP3A1601 23.481 48.870 2.212 1.00 0.00 H +ATOM 4804 O1 TIP3A1602 4.006 16.035 42.613 1.00 0.00 O +ATOM 4805 H1 TIP3A1602 3.431 16.590 43.139 1.00 0.00 H +ATOM 4806 H2 TIP3A1602 4.102 15.233 43.127 1.00 0.00 H +ATOM 4807 O1 TIP3A1603 29.509 16.941 24.764 1.00 0.00 O +ATOM 4808 H1 TIP3A1603 29.550 16.817 23.816 1.00 0.00 H +ATOM 4809 H2 TIP3A1603 29.399 16.057 25.117 1.00 0.00 H +ATOM 4810 O1 TIP3A1604 34.767 37.513 10.069 1.00 0.00 O +ATOM 4811 H1 TIP3A1604 34.920 38.317 10.564 1.00 0.00 H +ATOM 4812 H2 TIP3A1604 35.382 37.562 9.336 1.00 0.00 H +ATOM 4813 O1 TIP3A1605 43.001 4.227 15.026 1.00 0.00 O +ATOM 4814 H1 TIP3A1605 42.127 4.594 14.898 1.00 0.00 H +ATOM 4815 H2 TIP3A1605 42.974 3.380 14.578 1.00 0.00 H +ATOM 4816 O1 TIP3A1606 4.365 36.887 54.705 1.00 0.00 O +ATOM 4817 H1 TIP3A1606 3.534 36.437 54.554 1.00 0.00 H +ATOM 4818 H2 TIP3A1606 4.794 36.374 55.390 1.00 0.00 H +ATOM 4819 O1 TIP3A1607 15.406 13.183 53.234 1.00 0.00 O +ATOM 4820 H1 TIP3A1607 14.546 13.369 53.610 1.00 0.00 H +ATOM 4821 H2 TIP3A1607 15.388 12.244 53.046 1.00 0.00 H +ATOM 4822 O1 TIP3A1608 27.397 4.850 32.229 1.00 0.00 O +ATOM 4823 H1 TIP3A1608 28.232 5.311 32.156 1.00 0.00 H +ATOM 4824 H2 TIP3A1608 27.543 4.016 31.781 1.00 0.00 H +ATOM 4825 O1 TIP3A1609 13.878 53.498 19.080 1.00 0.00 O +ATOM 4826 H1 TIP3A1609 14.349 54.226 18.678 1.00 0.00 H +ATOM 4827 H2 TIP3A1609 14.020 53.609 20.020 1.00 0.00 H +ATOM 4828 O1 TIP3A1610 16.812 19.198 43.075 1.00 0.00 O +ATOM 4829 H1 TIP3A1610 16.242 19.608 43.725 1.00 0.00 H +ATOM 4830 H2 TIP3A1610 17.646 19.077 43.528 1.00 0.00 H +ATOM 4831 O1 TIP3A1611 53.950 50.466 21.804 1.00 0.00 O +ATOM 4832 H1 TIP3A1611 53.715 49.549 21.661 1.00 0.00 H +ATOM 4833 H2 TIP3A1611 53.359 50.760 22.498 1.00 0.00 H +ATOM 4834 O1 TIP3A1612 10.610 14.386 29.900 1.00 0.00 O +ATOM 4835 H1 TIP3A1612 9.856 14.403 29.311 1.00 0.00 H +ATOM 4836 H2 TIP3A1612 10.936 13.487 29.847 1.00 0.00 H +ATOM 4837 O1 TIP3A1613 5.376 48.779 43.138 1.00 0.00 O +ATOM 4838 H1 TIP3A1613 6.145 49.348 43.124 1.00 0.00 H +ATOM 4839 H2 TIP3A1613 5.572 48.095 42.497 1.00 0.00 H +ATOM 4840 O1 TIP3A1614 23.814 26.338 48.967 1.00 0.00 O +ATOM 4841 H1 TIP3A1614 24.760 26.450 49.053 1.00 0.00 H +ATOM 4842 H2 TIP3A1614 23.440 27.076 49.448 1.00 0.00 H +ATOM 4843 O1 TIP3A1615 50.387 20.297 22.418 1.00 0.00 O +ATOM 4844 H1 TIP3A1615 50.554 21.239 22.429 1.00 0.00 H +ATOM 4845 H2 TIP3A1615 49.702 20.167 23.074 1.00 0.00 H +ATOM 4846 O1 TIP3A1616 36.651 40.762 56.911 1.00 0.00 O +ATOM 4847 H1 TIP3A1616 36.649 41.138 57.791 1.00 0.00 H +ATOM 4848 H2 TIP3A1616 36.892 41.492 56.339 1.00 0.00 H +ATOM 4849 O1 TIP3A1617 54.503 47.418 40.663 1.00 0.00 O +ATOM 4850 H1 TIP3A1617 53.935 48.186 40.704 1.00 0.00 H +ATOM 4851 H2 TIP3A1617 54.545 47.102 41.566 1.00 0.00 H +ATOM 4852 O1 TIP3A1618 22.760 37.410 26.041 1.00 0.00 O +ATOM 4853 H1 TIP3A1618 22.212 37.286 25.267 1.00 0.00 H +ATOM 4854 H2 TIP3A1618 22.146 37.659 26.732 1.00 0.00 H +ATOM 4855 O1 TIP3A1619 40.232 54.913 44.837 1.00 0.00 O +ATOM 4856 H1 TIP3A1619 40.542 54.304 44.169 1.00 0.00 H +ATOM 4857 H2 TIP3A1619 39.326 55.101 44.589 1.00 0.00 H +ATOM 4858 O1 TIP3A1620 34.769 13.945 28.044 1.00 0.00 O +ATOM 4859 H1 TIP3A1620 34.619 13.173 27.500 1.00 0.00 H +ATOM 4860 H2 TIP3A1620 34.800 14.674 27.423 1.00 0.00 H +ATOM 4861 O1 TIP3A1621 10.802 4.548 34.357 1.00 0.00 O +ATOM 4862 H1 TIP3A1621 10.592 5.471 34.497 1.00 0.00 H +ATOM 4863 H2 TIP3A1621 9.969 4.147 34.110 1.00 0.00 H +ATOM 4864 O1 TIP3A1622 0.885 47.278 43.178 1.00 0.00 O +ATOM 4865 H1 TIP3A1622 0.401 47.370 43.998 1.00 0.00 H +ATOM 4866 H2 TIP3A1622 1.477 46.542 43.329 1.00 0.00 H +ATOM 4867 O1 TIP3A1623 28.669 18.746 2.866 1.00 0.00 O +ATOM 4868 H1 TIP3A1623 28.201 17.936 3.069 1.00 0.00 H +ATOM 4869 H2 TIP3A1623 28.889 18.668 1.937 1.00 0.00 H +ATOM 4870 O1 TIP3A1624 3.835 13.706 51.585 1.00 0.00 O +ATOM 4871 H1 TIP3A1624 4.110 13.791 50.673 1.00 0.00 H +ATOM 4872 H2 TIP3A1624 4.632 13.455 52.053 1.00 0.00 H +ATOM 4873 O1 TIP3A1625 13.794 19.813 53.110 1.00 0.00 O +ATOM 4874 H1 TIP3A1625 14.078 20.542 52.559 1.00 0.00 H +ATOM 4875 H2 TIP3A1625 13.982 20.101 54.004 1.00 0.00 H +ATOM 4876 O1 TIP3A1626 31.802 25.633 24.746 1.00 0.00 O +ATOM 4877 H1 TIP3A1626 31.145 25.412 24.086 1.00 0.00 H +ATOM 4878 H2 TIP3A1626 31.295 25.970 25.486 1.00 0.00 H +ATOM 4879 O1 TIP3A1627 29.105 51.072 14.507 1.00 0.00 O +ATOM 4880 H1 TIP3A1627 29.887 50.540 14.648 1.00 0.00 H +ATOM 4881 H2 TIP3A1627 28.594 50.581 13.863 1.00 0.00 H +ATOM 4882 O1 TIP3A1628 17.864 13.992 54.090 1.00 0.00 O +ATOM 4883 H1 TIP3A1628 17.692 13.051 54.080 1.00 0.00 H +ATOM 4884 H2 TIP3A1628 17.262 14.353 53.439 1.00 0.00 H +ATOM 4885 O1 TIP3A1629 16.353 50.793 25.876 1.00 0.00 O +ATOM 4886 H1 TIP3A1629 16.913 50.018 25.891 1.00 0.00 H +ATOM 4887 H2 TIP3A1629 16.347 51.103 26.782 1.00 0.00 H +ATOM 4888 O1 TIP3A1630 55.623 17.908 30.343 1.00 0.00 O +ATOM 4889 H1 TIP3A1630 54.689 18.028 30.178 1.00 0.00 H +ATOM 4890 H2 TIP3A1630 55.659 17.343 31.116 1.00 0.00 H +ATOM 4891 O1 TIP3A1631 3.089 23.666 0.627 1.00 0.00 O +ATOM 4892 H1 TIP3A1631 2.430 24.316 0.386 1.00 0.00 H +ATOM 4893 H2 TIP3A1631 3.782 23.772 -0.026 1.00 0.00 H +ATOM 4894 O1 TIP3A1632 33.245 36.857 55.355 1.00 0.00 O +ATOM 4895 H1 TIP3A1632 33.087 37.256 56.210 1.00 0.00 H +ATOM 4896 H2 TIP3A1632 33.681 37.542 54.847 1.00 0.00 H +ATOM 4897 O1 TIP3A1633 56.556 30.788 16.912 1.00 0.00 O +ATOM 4898 H1 TIP3A1633 55.612 30.793 16.761 1.00 0.00 H +ATOM 4899 H2 TIP3A1633 56.900 31.444 16.306 1.00 0.00 H +ATOM 4900 O1 TIP3A1634 16.776 33.875 41.164 1.00 0.00 O +ATOM 4901 H1 TIP3A1634 17.240 33.614 41.960 1.00 0.00 H +ATOM 4902 H2 TIP3A1634 16.452 34.756 41.353 1.00 0.00 H +ATOM 4903 O1 TIP3A1635 42.711 15.140 26.809 1.00 0.00 O +ATOM 4904 H1 TIP3A1635 43.446 14.529 26.850 1.00 0.00 H +ATOM 4905 H2 TIP3A1635 42.553 15.264 25.872 1.00 0.00 H +ATOM 4906 O1 TIP3A1636 44.197 35.334 13.537 1.00 0.00 O +ATOM 4907 H1 TIP3A1636 44.650 36.168 13.421 1.00 0.00 H +ATOM 4908 H2 TIP3A1636 43.951 35.320 14.463 1.00 0.00 H +ATOM 4909 O1 TIP3A1637 37.796 3.688 48.314 1.00 0.00 O +ATOM 4910 H1 TIP3A1637 38.215 3.001 47.797 1.00 0.00 H +ATOM 4911 H2 TIP3A1637 36.923 3.346 48.508 1.00 0.00 H +ATOM 4912 O1 TIP3A1638 7.190 43.973 10.242 1.00 0.00 O +ATOM 4913 H1 TIP3A1638 7.357 44.821 9.832 1.00 0.00 H +ATOM 4914 H2 TIP3A1638 7.856 43.902 10.927 1.00 0.00 H +ATOM 4915 O1 TIP3A1639 13.998 56.972 39.099 1.00 0.00 O +ATOM 4916 H1 TIP3A1639 14.516 56.742 39.870 1.00 0.00 H +ATOM 4917 H2 TIP3A1639 14.078 57.924 39.032 1.00 0.00 H +ATOM 4918 O1 TIP3A1640 43.623 50.552 15.344 1.00 0.00 O +ATOM 4919 H1 TIP3A1640 43.379 49.636 15.219 1.00 0.00 H +ATOM 4920 H2 TIP3A1640 42.990 51.043 14.818 1.00 0.00 H +ATOM 4921 O1 TIP3A1641 37.898 13.119 42.113 1.00 0.00 O +ATOM 4922 H1 TIP3A1641 38.006 13.961 42.554 1.00 0.00 H +ATOM 4923 H2 TIP3A1641 37.153 12.711 42.555 1.00 0.00 H +ATOM 4924 O1 TIP3A1642 27.651 23.281 10.419 1.00 0.00 O +ATOM 4925 H1 TIP3A1642 26.867 22.745 10.309 1.00 0.00 H +ATOM 4926 H2 TIP3A1642 27.436 24.110 9.990 1.00 0.00 H +ATOM 4927 O1 TIP3A1643 53.357 51.153 53.005 1.00 0.00 O +ATOM 4928 H1 TIP3A1643 53.837 51.975 52.911 1.00 0.00 H +ATOM 4929 H2 TIP3A1643 52.478 51.350 52.680 1.00 0.00 H +ATOM 4930 O1 TIP3A1644 46.459 50.537 37.090 1.00 0.00 O +ATOM 4931 H1 TIP3A1644 45.573 50.177 37.090 1.00 0.00 H +ATOM 4932 H2 TIP3A1644 46.929 50.021 37.746 1.00 0.00 H +ATOM 4933 O1 TIP3A1645 48.739 57.490 14.296 1.00 0.00 O +ATOM 4934 H1 TIP3A1645 48.686 57.916 15.151 1.00 0.00 H +ATOM 4935 H2 TIP3A1645 48.283 56.656 14.415 1.00 0.00 H +ATOM 4936 O1 TIP3A1646 24.761 55.680 26.932 1.00 0.00 O +ATOM 4937 H1 TIP3A1646 25.692 55.805 26.750 1.00 0.00 H +ATOM 4938 H2 TIP3A1646 24.546 56.368 27.564 1.00 0.00 H +ATOM 4939 O1 TIP3A1647 13.556 34.296 31.176 1.00 0.00 O +ATOM 4940 H1 TIP3A1647 14.401 34.729 31.296 1.00 0.00 H +ATOM 4941 H2 TIP3A1647 13.408 33.828 31.998 1.00 0.00 H +ATOM 4942 O1 TIP3A1648 1.772 31.598 48.357 1.00 0.00 O +ATOM 4943 H1 TIP3A1648 1.067 32.061 47.905 1.00 0.00 H +ATOM 4944 H2 TIP3A1648 1.573 30.670 48.224 1.00 0.00 H +ATOM 4945 O1 TIP3A1649 51.679 31.483 44.376 1.00 0.00 O +ATOM 4946 H1 TIP3A1649 51.992 31.591 45.274 1.00 0.00 H +ATOM 4947 H2 TIP3A1649 52.474 31.499 43.842 1.00 0.00 H +ATOM 4948 O1 TIP3A1650 17.089 50.473 41.743 1.00 0.00 O +ATOM 4949 H1 TIP3A1650 17.941 50.323 41.334 1.00 0.00 H +ATOM 4950 H2 TIP3A1650 16.465 50.445 41.017 1.00 0.00 H +ATOM 4951 O1 TIP3A1651 18.686 19.826 37.051 1.00 0.00 O +ATOM 4952 H1 TIP3A1651 18.266 19.943 36.200 1.00 0.00 H +ATOM 4953 H2 TIP3A1651 17.962 19.825 37.678 1.00 0.00 H +ATOM 4954 O1 TIP3A1652 2.153 17.220 31.491 1.00 0.00 O +ATOM 4955 H1 TIP3A1652 1.743 18.055 31.270 1.00 0.00 H +ATOM 4956 H2 TIP3A1652 1.708 16.939 32.291 1.00 0.00 H +ATOM 4957 O1 TIP3A1653 49.244 52.855 54.372 1.00 0.00 O +ATOM 4958 H1 TIP3A1653 49.114 52.167 53.721 1.00 0.00 H +ATOM 4959 H2 TIP3A1653 48.377 52.988 54.757 1.00 0.00 H +ATOM 4960 O1 TIP3A1654 4.127 46.593 34.539 1.00 0.00 O +ATOM 4961 H1 TIP3A1654 3.492 46.209 35.143 1.00 0.00 H +ATOM 4962 H2 TIP3A1654 4.901 46.035 34.618 1.00 0.00 H +ATOM 4963 O1 TIP3A1655 41.854 55.015 13.800 1.00 0.00 O +ATOM 4964 H1 TIP3A1655 41.098 55.572 13.617 1.00 0.00 H +ATOM 4965 H2 TIP3A1655 42.602 55.503 13.454 1.00 0.00 H +ATOM 4966 O1 TIP3A1656 49.156 14.994 32.393 1.00 0.00 O +ATOM 4967 H1 TIP3A1656 49.287 15.941 32.386 1.00 0.00 H +ATOM 4968 H2 TIP3A1656 49.738 14.666 31.706 1.00 0.00 H +ATOM 4969 O1 TIP3A1657 39.064 19.867 40.044 1.00 0.00 O +ATOM 4970 H1 TIP3A1657 38.613 19.217 39.507 1.00 0.00 H +ATOM 4971 H2 TIP3A1657 38.491 19.993 40.801 1.00 0.00 H +ATOM 4972 O1 TIP3A1658 20.904 49.904 14.327 1.00 0.00 O +ATOM 4973 H1 TIP3A1658 20.222 50.496 14.011 1.00 0.00 H +ATOM 4974 H2 TIP3A1658 21.691 50.167 13.849 1.00 0.00 H +ATOM 4975 O1 TIP3A1659 19.605 12.383 44.378 1.00 0.00 O +ATOM 4976 H1 TIP3A1659 19.413 13.243 44.749 1.00 0.00 H +ATOM 4977 H2 TIP3A1659 18.795 11.885 44.496 1.00 0.00 H +ATOM 4978 O1 TIP3A1660 7.442 9.979 26.096 1.00 0.00 O +ATOM 4979 H1 TIP3A1660 7.141 10.283 26.951 1.00 0.00 H +ATOM 4980 H2 TIP3A1660 7.439 10.765 25.547 1.00 0.00 H +ATOM 4981 O1 TIP3A1661 26.719 2.670 47.290 1.00 0.00 O +ATOM 4982 H1 TIP3A1661 27.260 1.887 47.390 1.00 0.00 H +ATOM 4983 H2 TIP3A1661 26.072 2.431 46.625 1.00 0.00 H +ATOM 4984 O1 TIP3A1662 49.637 39.248 35.737 1.00 0.00 O +ATOM 4985 H1 TIP3A1662 50.016 39.349 36.609 1.00 0.00 H +ATOM 4986 H2 TIP3A1662 49.251 38.372 35.743 1.00 0.00 H +ATOM 4987 O1 TIP3A1663 28.807 2.920 51.272 1.00 0.00 O +ATOM 4988 H1 TIP3A1663 29.182 3.762 51.528 1.00 0.00 H +ATOM 4989 H2 TIP3A1663 28.118 2.758 51.918 1.00 0.00 H +ATOM 4990 O1 TIP3A1664 23.216 9.348 54.276 1.00 0.00 O +ATOM 4991 H1 TIP3A1664 23.247 10.289 54.441 1.00 0.00 H +ATOM 4992 H2 TIP3A1664 24.131 9.097 54.143 1.00 0.00 H +ATOM 4993 O1 TIP3A1665 40.426 0.456 18.372 1.00 0.00 O +ATOM 4994 H1 TIP3A1665 41.267 0.000 18.386 1.00 0.00 H +ATOM 4995 H2 TIP3A1665 40.081 0.296 17.494 1.00 0.00 H +ATOM 4996 O1 TIP3A1666 52.527 29.208 42.278 1.00 0.00 O +ATOM 4997 H1 TIP3A1666 53.036 30.017 42.313 1.00 0.00 H +ATOM 4998 H2 TIP3A1666 51.818 29.343 42.908 1.00 0.00 H +ATOM 4999 O1 TIP3A1667 18.166 30.930 42.613 1.00 0.00 O +ATOM 5000 H1 TIP3A1667 17.604 31.635 42.934 1.00 0.00 H +ATOM 5001 H2 TIP3A1667 18.940 31.377 42.270 1.00 0.00 H +ATOM 5002 O1 TIP3A1668 8.491 14.778 12.823 1.00 0.00 O +ATOM 5003 H1 TIP3A1668 8.342 15.054 13.727 1.00 0.00 H +ATOM 5004 H2 TIP3A1668 8.395 15.579 12.308 1.00 0.00 H +ATOM 5005 O1 TIP3A1669 0.645 13.684 4.032 1.00 0.00 O +ATOM 5006 H1 TIP3A1669 0.581 13.303 4.907 1.00 0.00 H +ATOM 5007 H2 TIP3A1669 -0.000 14.392 4.030 1.00 0.00 H +ATOM 5008 O1 TIP3A1670 22.780 53.993 26.482 1.00 0.00 O +ATOM 5009 H1 TIP3A1670 23.503 53.750 27.059 1.00 0.00 H +ATOM 5010 H2 TIP3A1670 22.477 54.837 26.818 1.00 0.00 H +ATOM 5011 O1 TIP3A1671 40.631 45.842 51.802 1.00 0.00 O +ATOM 5012 H1 TIP3A1671 41.089 45.599 52.605 1.00 0.00 H +ATOM 5013 H2 TIP3A1671 39.816 46.246 52.102 1.00 0.00 H +ATOM 5014 O1 TIP3A1672 9.220 13.395 45.792 1.00 0.00 O +ATOM 5015 H1 TIP3A1672 8.412 13.708 45.387 1.00 0.00 H +ATOM 5016 H2 TIP3A1672 9.615 14.179 46.175 1.00 0.00 H +ATOM 5017 O1 TIP3A1673 19.261 22.118 21.030 1.00 0.00 O +ATOM 5018 H1 TIP3A1673 18.816 22.928 21.279 1.00 0.00 H +ATOM 5019 H2 TIP3A1673 19.347 21.630 21.849 1.00 0.00 H +ATOM 5020 O1 TIP3A1674 38.135 12.172 21.628 1.00 0.00 O +ATOM 5021 H1 TIP3A1674 37.855 12.894 22.189 1.00 0.00 H +ATOM 5022 H2 TIP3A1674 37.838 11.384 22.084 1.00 0.00 H +ATOM 5023 O1 TIP3A1675 31.230 42.208 9.681 1.00 0.00 O +ATOM 5024 H1 TIP3A1675 32.178 42.216 9.810 1.00 0.00 H +ATOM 5025 H2 TIP3A1675 31.042 41.336 9.334 1.00 0.00 H +ATOM 5026 O1 TIP3A1676 55.951 20.759 17.572 1.00 0.00 O +ATOM 5027 H1 TIP3A1676 55.074 21.054 17.814 1.00 0.00 H +ATOM 5028 H2 TIP3A1676 56.412 20.669 18.407 1.00 0.00 H +ATOM 5029 O1 TIP3A1677 53.888 6.295 41.808 1.00 0.00 O +ATOM 5030 H1 TIP3A1677 54.594 6.939 41.858 1.00 0.00 H +ATOM 5031 H2 TIP3A1677 53.262 6.572 42.478 1.00 0.00 H +ATOM 5032 O1 TIP3A1678 3.754 43.061 10.496 1.00 0.00 O +ATOM 5033 H1 TIP3A1678 4.119 43.946 10.478 1.00 0.00 H +ATOM 5034 H2 TIP3A1678 4.274 42.575 9.856 1.00 0.00 H +ATOM 5035 O1 TIP3A1679 19.885 55.649 52.950 1.00 0.00 O +ATOM 5036 H1 TIP3A1679 19.037 56.092 52.966 1.00 0.00 H +ATOM 5037 H2 TIP3A1679 19.823 54.987 53.638 1.00 0.00 H +ATOM 5038 O1 TIP3A1680 26.349 56.537 52.117 1.00 0.00 O +ATOM 5039 H1 TIP3A1680 25.647 57.187 52.147 1.00 0.00 H +ATOM 5040 H2 TIP3A1680 26.079 55.864 52.743 1.00 0.00 H +ATOM 5041 O1 TIP3A1681 27.392 37.715 2.927 1.00 0.00 O +ATOM 5042 H1 TIP3A1681 27.587 37.430 2.035 1.00 0.00 H +ATOM 5043 H2 TIP3A1681 26.436 37.744 2.967 1.00 0.00 H +ATOM 5044 O1 TIP3A1682 51.347 13.389 20.593 1.00 0.00 O +ATOM 5045 H1 TIP3A1682 52.068 13.818 21.052 1.00 0.00 H +ATOM 5046 H2 TIP3A1682 51.687 12.523 20.366 1.00 0.00 H +ATOM 5047 O1 TIP3A1683 10.967 31.525 7.766 1.00 0.00 O +ATOM 5048 H1 TIP3A1683 11.343 32.398 7.875 1.00 0.00 H +ATOM 5049 H2 TIP3A1683 10.153 31.549 8.271 1.00 0.00 H +ATOM 5050 O1 TIP3A1684 0.956 17.568 36.809 1.00 0.00 O +ATOM 5051 H1 TIP3A1684 0.579 18.446 36.861 1.00 0.00 H +ATOM 5052 H2 TIP3A1684 1.753 17.679 36.289 1.00 0.00 H +ATOM 5053 O1 TIP3A1685 11.772 29.541 35.008 1.00 0.00 O +ATOM 5054 H1 TIP3A1685 10.849 29.385 35.206 1.00 0.00 H +ATOM 5055 H2 TIP3A1685 12.238 28.840 35.466 1.00 0.00 H +ATOM 5056 O1 TIP3A1686 53.805 7.345 17.177 1.00 0.00 O +ATOM 5057 H1 TIP3A1686 53.202 7.886 16.667 1.00 0.00 H +ATOM 5058 H2 TIP3A1686 54.676 7.626 16.896 1.00 0.00 H +ATOM 5059 O1 TIP3A1687 23.347 50.006 15.339 1.00 0.00 O +ATOM 5060 H1 TIP3A1687 22.634 50.206 15.946 1.00 0.00 H +ATOM 5061 H2 TIP3A1687 24.047 50.612 15.585 1.00 0.00 H +ATOM 5062 O1 TIP3A1688 26.628 7.558 52.991 1.00 0.00 O +ATOM 5063 H1 TIP3A1688 27.015 6.685 53.033 1.00 0.00 H +ATOM 5064 H2 TIP3A1688 27.131 8.074 53.622 1.00 0.00 H +ATOM 5065 O1 TIP3A1689 51.472 32.479 18.762 1.00 0.00 O +ATOM 5066 H1 TIP3A1689 51.874 33.232 18.331 1.00 0.00 H +ATOM 5067 H2 TIP3A1689 50.957 32.857 19.475 1.00 0.00 H +ATOM 5068 O1 TIP3A1690 40.487 55.305 57.080 1.00 0.00 O +ATOM 5069 H1 TIP3A1690 40.300 54.483 56.630 1.00 0.00 H +ATOM 5070 H2 TIP3A1690 40.525 55.069 58.007 1.00 0.00 H +ATOM 5071 O1 TIP3A1691 2.845 33.443 9.612 1.00 0.00 O +ATOM 5072 H1 TIP3A1691 2.203 33.010 10.173 1.00 0.00 H +ATOM 5073 H2 TIP3A1691 2.475 34.310 9.448 1.00 0.00 H +ATOM 5074 O1 TIP3A1692 3.246 47.624 30.206 1.00 0.00 O +ATOM 5075 H1 TIP3A1692 3.789 47.450 29.438 1.00 0.00 H +ATOM 5076 H2 TIP3A1692 3.003 46.757 30.530 1.00 0.00 H +ATOM 5077 O1 TIP3A1693 12.132 29.844 39.455 1.00 0.00 O +ATOM 5078 H1 TIP3A1693 11.243 29.858 39.102 1.00 0.00 H +ATOM 5079 H2 TIP3A1693 12.178 30.615 40.021 1.00 0.00 H +ATOM 5080 O1 TIP3A1694 26.602 32.362 46.369 1.00 0.00 O +ATOM 5081 H1 TIP3A1694 26.164 32.566 45.543 1.00 0.00 H +ATOM 5082 H2 TIP3A1694 27.516 32.608 46.223 1.00 0.00 H +ATOM 5083 O1 TIP3A1695 38.107 34.230 30.698 1.00 0.00 O +ATOM 5084 H1 TIP3A1695 38.133 34.742 29.890 1.00 0.00 H +ATOM 5085 H2 TIP3A1695 38.927 34.444 31.144 1.00 0.00 H +ATOM 5086 O1 TIP3A1696 41.328 3.426 1.859 1.00 0.00 O +ATOM 5087 H1 TIP3A1696 42.264 3.617 1.909 1.00 0.00 H +ATOM 5088 H2 TIP3A1696 41.244 2.827 1.116 1.00 0.00 H +ATOM 5089 O1 TIP3A1697 20.924 20.152 54.046 1.00 0.00 O +ATOM 5090 H1 TIP3A1697 21.531 19.546 53.623 1.00 0.00 H +ATOM 5091 H2 TIP3A1697 20.056 19.850 53.777 1.00 0.00 H +ATOM 5092 O1 TIP3A1698 21.793 52.625 13.555 1.00 0.00 O +ATOM 5093 H1 TIP3A1698 21.170 52.820 14.254 1.00 0.00 H +ATOM 5094 H2 TIP3A1698 21.516 53.179 12.824 1.00 0.00 H +ATOM 5095 O1 TIP3A1699 38.759 4.993 24.999 1.00 0.00 O +ATOM 5096 H1 TIP3A1699 39.431 5.596 24.683 1.00 0.00 H +ATOM 5097 H2 TIP3A1699 38.277 5.495 25.658 1.00 0.00 H +ATOM 5098 O1 TIP3A1700 31.376 56.334 8.161 1.00 0.00 O +ATOM 5099 H1 TIP3A1700 30.741 56.652 7.520 1.00 0.00 H +ATOM 5100 H2 TIP3A1700 30.973 56.519 9.010 1.00 0.00 H +ATOM 5101 O1 TIP3A1701 11.327 17.500 31.795 1.00 0.00 O +ATOM 5102 H1 TIP3A1701 12.170 17.912 31.608 1.00 0.00 H +ATOM 5103 H2 TIP3A1701 11.398 16.624 31.415 1.00 0.00 H +ATOM 5104 O1 TIP3A1702 44.517 42.341 28.745 1.00 0.00 O +ATOM 5105 H1 TIP3A1702 44.454 42.893 27.967 1.00 0.00 H +ATOM 5106 H2 TIP3A1702 45.407 41.987 28.718 1.00 0.00 H +ATOM 5107 O1 TIP3A1703 41.955 25.553 5.627 1.00 0.00 O +ATOM 5108 H1 TIP3A1703 42.343 24.688 5.505 1.00 0.00 H +ATOM 5109 H2 TIP3A1703 42.583 26.157 5.230 1.00 0.00 H +ATOM 5110 O1 TIP3A1704 24.946 24.078 20.281 1.00 0.00 O +ATOM 5111 H1 TIP3A1704 25.623 24.741 20.151 1.00 0.00 H +ATOM 5112 H2 TIP3A1704 25.426 23.250 20.322 1.00 0.00 H +ATOM 5113 O1 TIP3A1705 49.415 36.967 28.583 1.00 0.00 O +ATOM 5114 H1 TIP3A1705 48.854 36.215 28.769 1.00 0.00 H +ATOM 5115 H2 TIP3A1705 49.001 37.396 27.833 1.00 0.00 H +ATOM 5116 O1 TIP3A1706 14.219 30.232 7.598 1.00 0.00 O +ATOM 5117 H1 TIP3A1706 15.155 30.084 7.467 1.00 0.00 H +ATOM 5118 H2 TIP3A1706 13.817 29.977 6.766 1.00 0.00 H +ATOM 5119 O1 TIP3A1707 40.332 43.029 29.129 1.00 0.00 O +ATOM 5120 H1 TIP3A1707 39.750 42.471 28.613 1.00 0.00 H +ATOM 5121 H2 TIP3A1707 39.774 43.378 29.825 1.00 0.00 H +ATOM 5122 O1 TIP3A1708 28.373 22.206 18.318 1.00 0.00 O +ATOM 5123 H1 TIP3A1708 27.812 22.981 18.312 1.00 0.00 H +ATOM 5124 H2 TIP3A1708 29.047 22.393 17.664 1.00 0.00 H +ATOM 5125 O1 TIP3A1709 27.191 30.128 8.799 1.00 0.00 O +ATOM 5126 H1 TIP3A1709 26.932 31.044 8.714 1.00 0.00 H +ATOM 5127 H2 TIP3A1709 27.332 30.004 9.738 1.00 0.00 H +ATOM 5128 O1 TIP3A1710 57.013 58.000 46.932 1.00 0.00 O +ATOM 5129 H1 TIP3A1710 56.233 57.448 46.976 1.00 0.00 H +ATOM 5130 H2 TIP3A1710 57.745 57.385 46.981 1.00 0.00 H +ATOM 5131 O1 TIP3A1711 20.355 53.899 33.092 1.00 0.00 O +ATOM 5132 H1 TIP3A1711 21.214 54.300 33.221 1.00 0.00 H +ATOM 5133 H2 TIP3A1711 20.200 53.401 33.896 1.00 0.00 H +ATOM 5134 O1 TIP3A1712 40.566 48.571 34.572 1.00 0.00 O +ATOM 5135 H1 TIP3A1712 40.394 47.648 34.386 1.00 0.00 H +ATOM 5136 H2 TIP3A1712 39.713 48.930 34.816 1.00 0.00 H +ATOM 5137 O1 TIP3A1713 28.386 39.950 1.259 1.00 0.00 O +ATOM 5138 H1 TIP3A1713 28.851 39.147 1.490 1.00 0.00 H +ATOM 5139 H2 TIP3A1713 27.557 39.649 0.887 1.00 0.00 H +ATOM 5140 O1 TIP3A1714 4.579 48.213 9.801 1.00 0.00 O +ATOM 5141 H1 TIP3A1714 5.121 47.433 9.687 1.00 0.00 H +ATOM 5142 H2 TIP3A1714 3.726 47.968 9.440 1.00 0.00 H +ATOM 5143 O1 TIP3A1715 4.154 54.111 5.544 1.00 0.00 O +ATOM 5144 H1 TIP3A1715 3.701 54.951 5.610 1.00 0.00 H +ATOM 5145 H2 TIP3A1715 3.840 53.608 6.296 1.00 0.00 H +ATOM 5146 O1 TIP3A1716 49.997 38.707 32.571 1.00 0.00 O +ATOM 5147 H1 TIP3A1716 49.913 39.657 32.651 1.00 0.00 H +ATOM 5148 H2 TIP3A1716 49.588 38.362 33.365 1.00 0.00 H +ATOM 5149 O1 TIP3A1717 52.277 55.517 32.247 1.00 0.00 O +ATOM 5150 H1 TIP3A1717 52.744 56.334 32.073 1.00 0.00 H +ATOM 5151 H2 TIP3A1717 52.428 55.348 33.178 1.00 0.00 H +ATOM 5152 O1 TIP3A1718 27.244 26.127 45.451 1.00 0.00 O +ATOM 5153 H1 TIP3A1718 26.419 26.551 45.685 1.00 0.00 H +ATOM 5154 H2 TIP3A1718 27.245 25.311 45.952 1.00 0.00 H +ATOM 5155 O1 TIP3A1719 6.708 23.965 34.802 1.00 0.00 O +ATOM 5156 H1 TIP3A1719 5.896 23.463 34.737 1.00 0.00 H +ATOM 5157 H2 TIP3A1719 7.075 23.719 35.652 1.00 0.00 H +ATOM 5158 O1 TIP3A1720 36.772 19.868 7.553 1.00 0.00 O +ATOM 5159 H1 TIP3A1720 36.254 20.467 7.017 1.00 0.00 H +ATOM 5160 H2 TIP3A1720 36.123 19.367 8.050 1.00 0.00 H +ATOM 5161 O1 TIP3A1721 16.089 45.451 8.797 1.00 0.00 O +ATOM 5162 H1 TIP3A1721 15.980 44.527 8.575 1.00 0.00 H +ATOM 5163 H2 TIP3A1721 17.013 45.534 9.032 1.00 0.00 H +ATOM 5164 O1 TIP3A1722 44.092 54.335 2.053 1.00 0.00 O +ATOM 5165 H1 TIP3A1722 43.442 54.339 2.756 1.00 0.00 H +ATOM 5166 H2 TIP3A1722 44.882 53.978 2.459 1.00 0.00 H +ATOM 5167 O1 TIP3A1723 54.484 19.990 5.243 1.00 0.00 O +ATOM 5168 H1 TIP3A1723 55.396 20.061 5.521 1.00 0.00 H +ATOM 5169 H2 TIP3A1723 54.509 19.410 4.482 1.00 0.00 H +ATOM 5170 O1 TIP3A1724 1.500 42.552 32.606 1.00 0.00 O +ATOM 5171 H1 TIP3A1724 0.546 42.521 32.539 1.00 0.00 H +ATOM 5172 H2 TIP3A1724 1.747 43.358 32.152 1.00 0.00 H +ATOM 5173 O1 TIP3A1725 25.096 31.483 29.600 1.00 0.00 O +ATOM 5174 H1 TIP3A1725 24.775 30.753 29.072 1.00 0.00 H +ATOM 5175 H2 TIP3A1725 25.228 32.194 28.972 1.00 0.00 H +ATOM 5176 O1 TIP3A1726 6.076 28.240 24.096 1.00 0.00 O +ATOM 5177 H1 TIP3A1726 6.494 29.100 24.064 1.00 0.00 H +ATOM 5178 H2 TIP3A1726 6.208 27.876 23.220 1.00 0.00 H +ATOM 5179 O1 TIP3A1727 23.295 42.987 30.225 1.00 0.00 O +ATOM 5180 H1 TIP3A1727 24.017 42.420 29.959 1.00 0.00 H +ATOM 5181 H2 TIP3A1727 22.917 43.298 29.402 1.00 0.00 H +ATOM 5182 O1 TIP3A1728 26.072 39.814 53.819 1.00 0.00 O +ATOM 5183 H1 TIP3A1728 26.076 38.870 53.978 1.00 0.00 H +ATOM 5184 H2 TIP3A1728 25.613 39.915 52.985 1.00 0.00 H +ATOM 5185 O1 TIP3A1729 45.541 6.029 39.428 1.00 0.00 O +ATOM 5186 H1 TIP3A1729 45.516 6.577 38.645 1.00 0.00 H +ATOM 5187 H2 TIP3A1729 46.440 5.703 39.465 1.00 0.00 H +ATOM 5188 O1 TIP3A1730 56.783 45.418 31.503 1.00 0.00 O +ATOM 5189 H1 TIP3A1730 56.249 44.870 30.928 1.00 0.00 H +ATOM 5190 H2 TIP3A1730 57.271 44.795 32.043 1.00 0.00 H +ATOM 5191 O1 TIP3A1731 46.229 17.406 2.477 1.00 0.00 O +ATOM 5192 H1 TIP3A1731 46.865 16.709 2.318 1.00 0.00 H +ATOM 5193 H2 TIP3A1731 46.309 17.982 1.716 1.00 0.00 H +ATOM 5194 O1 TIP3A1732 37.424 9.213 21.895 1.00 0.00 O +ATOM 5195 H1 TIP3A1732 36.482 9.374 21.938 1.00 0.00 H +ATOM 5196 H2 TIP3A1732 37.629 8.764 22.716 1.00 0.00 H +ATOM 5197 O1 TIP3A1733 46.735 53.677 14.999 1.00 0.00 O +ATOM 5198 H1 TIP3A1733 47.652 53.403 15.005 1.00 0.00 H +ATOM 5199 H2 TIP3A1733 46.339 53.174 14.286 1.00 0.00 H +ATOM 5200 O1 TIP3A1734 1.752 44.459 53.576 1.00 0.00 O +ATOM 5201 H1 TIP3A1734 0.897 44.840 53.774 1.00 0.00 H +ATOM 5202 H2 TIP3A1734 1.980 43.961 54.361 1.00 0.00 H +ATOM 5203 O1 TIP3A1735 57.802 20.961 15.933 1.00 0.00 O +ATOM 5204 H1 TIP3A1735 57.953 20.160 16.433 1.00 0.00 H +ATOM 5205 H2 TIP3A1735 58.000 20.720 15.028 1.00 0.00 H +ATOM 5206 O1 TIP3A1736 31.053 25.704 31.851 1.00 0.00 O +ATOM 5207 H1 TIP3A1736 30.809 26.623 31.950 1.00 0.00 H +ATOM 5208 H2 TIP3A1736 30.338 25.219 32.265 1.00 0.00 H +ATOM 5209 O1 TIP3A1737 42.242 45.765 4.873 1.00 0.00 O +ATOM 5210 H1 TIP3A1737 42.442 46.622 4.499 1.00 0.00 H +ATOM 5211 H2 TIP3A1737 41.849 45.274 4.150 1.00 0.00 H +ATOM 5212 O1 TIP3A1738 13.209 3.441 5.607 1.00 0.00 O +ATOM 5213 H1 TIP3A1738 13.791 2.731 5.339 1.00 0.00 H +ATOM 5214 H2 TIP3A1738 13.704 3.920 6.272 1.00 0.00 H +ATOM 5215 O1 TIP3A1739 20.647 26.739 48.080 1.00 0.00 O +ATOM 5216 H1 TIP3A1739 19.916 27.347 48.186 1.00 0.00 H +ATOM 5217 H2 TIP3A1739 20.671 26.247 48.901 1.00 0.00 H +ATOM 5218 O1 TIP3A1740 36.692 23.350 4.296 1.00 0.00 O +ATOM 5219 H1 TIP3A1740 36.917 23.049 5.176 1.00 0.00 H +ATOM 5220 H2 TIP3A1740 35.735 23.385 4.291 1.00 0.00 H +ATOM 5221 O1 TIP3A1741 50.183 57.179 17.616 1.00 0.00 O +ATOM 5222 H1 TIP3A1741 49.963 56.521 16.957 1.00 0.00 H +ATOM 5223 H2 TIP3A1741 49.847 58.001 17.257 1.00 0.00 H +ATOM 5224 O1 TIP3A1742 32.177 42.286 47.459 1.00 0.00 O +ATOM 5225 H1 TIP3A1742 31.659 42.618 48.191 1.00 0.00 H +ATOM 5226 H2 TIP3A1742 32.888 42.921 47.361 1.00 0.00 H +ATOM 5227 O1 TIP3A1743 0.177 47.411 40.260 1.00 0.00 O +ATOM 5228 H1 TIP3A1743 0.000 46.539 39.909 1.00 0.00 H +ATOM 5229 H2 TIP3A1743 0.696 47.843 39.581 1.00 0.00 H +ATOM 5230 O1 TIP3A1744 10.213 40.598 0.851 1.00 0.00 O +ATOM 5231 H1 TIP3A1744 9.330 40.459 0.511 1.00 0.00 H +ATOM 5232 H2 TIP3A1744 10.670 41.063 0.149 1.00 0.00 H +ATOM 5233 O1 TIP3A1745 51.285 8.105 8.299 1.00 0.00 O +ATOM 5234 H1 TIP3A1745 50.709 7.969 9.051 1.00 0.00 H +ATOM 5235 H2 TIP3A1745 51.067 7.392 7.698 1.00 0.00 H +ATOM 5236 O1 TIP3A1746 41.556 31.785 41.793 1.00 0.00 O +ATOM 5237 H1 TIP3A1746 41.262 31.511 40.925 1.00 0.00 H +ATOM 5238 H2 TIP3A1746 42.491 31.577 41.807 1.00 0.00 H +ATOM 5239 O1 TIP3A1747 8.525 24.491 52.691 1.00 0.00 O +ATOM 5240 H1 TIP3A1747 9.273 23.963 52.414 1.00 0.00 H +ATOM 5241 H2 TIP3A1747 8.895 25.357 52.867 1.00 0.00 H +ATOM 5242 O1 TIP3A1748 24.370 10.369 14.351 1.00 0.00 O +ATOM 5243 H1 TIP3A1748 24.730 9.489 14.249 1.00 0.00 H +ATOM 5244 H2 TIP3A1748 23.484 10.229 14.684 1.00 0.00 H +ATOM 5245 O1 TIP3A1749 57.999 14.623 52.606 1.00 0.00 O +ATOM 5246 H1 TIP3A1749 58.004 14.708 51.653 1.00 0.00 H +ATOM 5247 H2 TIP3A1749 57.367 15.278 52.902 1.00 0.00 H +ATOM 5248 O1 TIP3A1750 25.329 26.567 10.339 1.00 0.00 O +ATOM 5249 H1 TIP3A1750 25.740 27.423 10.452 1.00 0.00 H +ATOM 5250 H2 TIP3A1750 24.835 26.643 9.523 1.00 0.00 H +ATOM 5251 O1 TIP3A1751 25.995 49.842 17.981 1.00 0.00 O +ATOM 5252 H1 TIP3A1751 26.638 50.172 17.354 1.00 0.00 H +ATOM 5253 H2 TIP3A1751 26.442 49.882 18.827 1.00 0.00 H +ATOM 5254 O1 TIP3A1752 21.882 9.877 57.387 1.00 0.00 O +ATOM 5255 H1 TIP3A1752 21.108 10.368 57.658 1.00 0.00 H +ATOM 5256 H2 TIP3A1752 21.670 9.560 56.508 1.00 0.00 H +ATOM 5257 O1 TIP3A1753 33.709 7.986 18.599 1.00 0.00 O +ATOM 5258 H1 TIP3A1753 32.781 7.928 18.824 1.00 0.00 H +ATOM 5259 H2 TIP3A1753 33.717 8.281 17.688 1.00 0.00 H +ATOM 5260 O1 TIP3A1754 20.980 40.225 38.621 1.00 0.00 O +ATOM 5261 H1 TIP3A1754 20.220 39.651 38.708 1.00 0.00 H +ATOM 5262 H2 TIP3A1754 20.952 40.781 39.401 1.00 0.00 H +ATOM 5263 O1 TIP3A1755 1.215 42.991 45.452 1.00 0.00 O +ATOM 5264 H1 TIP3A1755 2.090 42.809 45.111 1.00 0.00 H +ATOM 5265 H2 TIP3A1755 1.085 42.337 46.140 1.00 0.00 H +ATOM 5266 O1 TIP3A1756 7.362 18.087 52.255 1.00 0.00 O +ATOM 5267 H1 TIP3A1756 6.413 17.965 52.275 1.00 0.00 H +ATOM 5268 H2 TIP3A1756 7.501 18.777 51.606 1.00 0.00 H +ATOM 5269 O1 TIP3A1757 5.197 16.370 26.311 1.00 0.00 O +ATOM 5270 H1 TIP3A1757 5.041 15.427 26.273 1.00 0.00 H +ATOM 5271 H2 TIP3A1757 4.484 16.753 25.800 1.00 0.00 H +ATOM 5272 O1 TIP3A1758 38.841 40.506 51.326 1.00 0.00 O +ATOM 5273 H1 TIP3A1758 39.341 41.257 51.644 1.00 0.00 H +ATOM 5274 H2 TIP3A1758 38.390 40.172 52.103 1.00 0.00 H +ATOM 5275 O1 TIP3A1759 19.246 20.688 2.584 1.00 0.00 O +ATOM 5276 H1 TIP3A1759 18.350 20.932 2.354 1.00 0.00 H +ATOM 5277 H2 TIP3A1759 19.549 21.396 3.154 1.00 0.00 H +ATOM 5278 O1 TIP3A1760 36.900 20.542 33.214 1.00 0.00 O +ATOM 5279 H1 TIP3A1760 37.346 20.155 33.967 1.00 0.00 H +ATOM 5280 H2 TIP3A1760 36.299 19.859 32.914 1.00 0.00 H +ATOM 5281 O1 TIP3A1761 10.643 19.145 37.934 1.00 0.00 O +ATOM 5282 H1 TIP3A1761 11.035 18.949 38.785 1.00 0.00 H +ATOM 5283 H2 TIP3A1761 11.222 19.805 37.550 1.00 0.00 H +ATOM 5284 O1 TIP3A1762 29.890 20.801 31.468 1.00 0.00 O +ATOM 5285 H1 TIP3A1762 29.447 20.238 30.835 1.00 0.00 H +ATOM 5286 H2 TIP3A1762 30.709 20.344 31.665 1.00 0.00 H +ATOM 5287 O1 TIP3A1763 18.810 44.397 4.590 1.00 0.00 O +ATOM 5288 H1 TIP3A1763 19.757 44.282 4.667 1.00 0.00 H +ATOM 5289 H2 TIP3A1763 18.552 44.823 5.408 1.00 0.00 H +ATOM 5290 O1 TIP3A1764 18.825 47.096 46.859 1.00 0.00 O +ATOM 5291 H1 TIP3A1764 18.992 46.527 47.610 1.00 0.00 H +ATOM 5292 H2 TIP3A1764 19.100 46.580 46.101 1.00 0.00 H +ATOM 5293 O1 TIP3A1765 21.675 28.753 6.821 1.00 0.00 O +ATOM 5294 H1 TIP3A1765 22.269 29.023 6.122 1.00 0.00 H +ATOM 5295 H2 TIP3A1765 21.159 29.537 7.012 1.00 0.00 H +ATOM 5296 O1 TIP3A1766 41.834 15.612 17.545 1.00 0.00 O +ATOM 5297 H1 TIP3A1766 41.968 16.426 18.028 1.00 0.00 H +ATOM 5298 H2 TIP3A1766 42.667 15.457 17.100 1.00 0.00 H +ATOM 5299 O1 TIP3A1767 2.362 8.378 56.227 1.00 0.00 O +ATOM 5300 H1 TIP3A1767 2.950 8.215 56.964 1.00 0.00 H +ATOM 5301 H2 TIP3A1767 1.496 8.127 56.551 1.00 0.00 H +ATOM 5302 O1 TIP3A1768 16.081 37.023 8.240 1.00 0.00 O +ATOM 5303 H1 TIP3A1768 16.396 37.126 7.342 1.00 0.00 H +ATOM 5304 H2 TIP3A1768 15.595 36.198 8.231 1.00 0.00 H +ATOM 5305 O1 TIP3A1769 36.158 33.586 55.693 1.00 0.00 O +ATOM 5306 H1 TIP3A1769 37.095 33.441 55.826 1.00 0.00 H +ATOM 5307 H2 TIP3A1769 35.984 34.430 56.111 1.00 0.00 H +ATOM 5308 O1 TIP3A1770 40.027 44.200 4.845 1.00 0.00 O +ATOM 5309 H1 TIP3A1770 39.737 45.096 5.014 1.00 0.00 H +ATOM 5310 H2 TIP3A1770 39.441 43.654 5.371 1.00 0.00 H +ATOM 5311 O1 TIP3A1771 3.928 47.462 55.997 1.00 0.00 O +ATOM 5312 H1 TIP3A1771 3.049 47.687 56.301 1.00 0.00 H +ATOM 5313 H2 TIP3A1771 3.846 47.406 55.044 1.00 0.00 H +ATOM 5314 O1 TIP3A1772 25.324 36.454 56.465 1.00 0.00 O +ATOM 5315 H1 TIP3A1772 24.463 36.068 56.310 1.00 0.00 H +ATOM 5316 H2 TIP3A1772 25.373 36.559 57.415 1.00 0.00 H +ATOM 5317 O1 TIP3A1773 41.473 23.294 9.087 1.00 0.00 O +ATOM 5318 H1 TIP3A1773 40.649 23.759 8.946 1.00 0.00 H +ATOM 5319 H2 TIP3A1773 41.991 23.479 8.303 1.00 0.00 H +ATOM 5320 O1 TIP3A1774 39.382 19.762 29.197 1.00 0.00 O +ATOM 5321 H1 TIP3A1774 38.557 20.065 29.574 1.00 0.00 H +ATOM 5322 H2 TIP3A1774 39.949 20.534 29.210 1.00 0.00 H +ATOM 5323 O1 TIP3A1775 9.480 18.094 33.538 1.00 0.00 O +ATOM 5324 H1 TIP3A1775 10.035 18.574 34.151 1.00 0.00 H +ATOM 5325 H2 TIP3A1775 9.603 18.542 32.701 1.00 0.00 H +ATOM 5326 O1 TIP3A1776 27.453 41.039 16.763 1.00 0.00 O +ATOM 5327 H1 TIP3A1776 28.111 40.348 16.833 1.00 0.00 H +ATOM 5328 H2 TIP3A1776 27.069 40.917 15.894 1.00 0.00 H +ATOM 5329 O1 TIP3A1777 6.326 50.196 48.000 1.00 0.00 O +ATOM 5330 H1 TIP3A1777 6.620 50.871 48.611 1.00 0.00 H +ATOM 5331 H2 TIP3A1777 5.409 50.409 47.829 1.00 0.00 H +ATOM 5332 O1 TIP3A1778 49.478 3.982 23.842 1.00 0.00 O +ATOM 5333 H1 TIP3A1778 49.235 3.229 24.380 1.00 0.00 H +ATOM 5334 H2 TIP3A1778 49.103 3.794 22.982 1.00 0.00 H +ATOM 5335 O1 TIP3A1779 53.453 31.466 6.057 1.00 0.00 O +ATOM 5336 H1 TIP3A1779 53.728 30.549 6.050 1.00 0.00 H +ATOM 5337 H2 TIP3A1779 53.067 31.594 6.923 1.00 0.00 H +ATOM 5338 O1 TIP3A1780 26.791 44.305 29.673 1.00 0.00 O +ATOM 5339 H1 TIP3A1780 26.128 43.622 29.572 1.00 0.00 H +ATOM 5340 H2 TIP3A1780 26.557 44.965 29.020 1.00 0.00 H +ATOM 5341 O1 TIP3A1781 33.574 30.771 28.945 1.00 0.00 O +ATOM 5342 H1 TIP3A1781 34.179 30.090 28.653 1.00 0.00 H +ATOM 5343 H2 TIP3A1781 34.131 31.413 29.387 1.00 0.00 H +ATOM 5344 O1 TIP3A1782 41.718 9.071 17.413 1.00 0.00 O +ATOM 5345 H1 TIP3A1782 42.618 8.748 17.425 1.00 0.00 H +ATOM 5346 H2 TIP3A1782 41.711 9.784 18.052 1.00 0.00 H +ATOM 5347 O1 TIP3A1783 42.171 10.704 1.541 1.00 0.00 O +ATOM 5348 H1 TIP3A1783 42.264 10.359 2.428 1.00 0.00 H +ATOM 5349 H2 TIP3A1783 41.497 10.156 1.139 1.00 0.00 H +ATOM 5350 O1 TIP3A1784 10.477 45.373 11.114 1.00 0.00 O +ATOM 5351 H1 TIP3A1784 10.173 46.272 10.994 1.00 0.00 H +ATOM 5352 H2 TIP3A1784 9.932 45.028 11.823 1.00 0.00 H +ATOM 5353 O1 TIP3A1785 49.621 26.617 36.871 1.00 0.00 O +ATOM 5354 H1 TIP3A1785 49.230 25.914 37.388 1.00 0.00 H +ATOM 5355 H2 TIP3A1785 49.057 27.374 37.029 1.00 0.00 H +ATOM 5356 O1 TIP3A1786 28.314 15.062 1.706 1.00 0.00 O +ATOM 5357 H1 TIP3A1786 27.358 15.022 1.716 1.00 0.00 H +ATOM 5358 H2 TIP3A1786 28.519 15.760 1.083 1.00 0.00 H +ATOM 5359 O1 TIP3A1787 2.903 46.427 45.401 1.00 0.00 O +ATOM 5360 H1 TIP3A1787 3.631 46.379 44.783 1.00 0.00 H +ATOM 5361 H2 TIP3A1787 3.304 46.709 46.223 1.00 0.00 H +ATOM 5362 O1 TIP3A1788 11.571 0.782 32.149 1.00 0.00 O +ATOM 5363 H1 TIP3A1788 11.470 0.369 33.006 1.00 0.00 H +ATOM 5364 H2 TIP3A1788 11.713 0.051 31.545 1.00 0.00 H +ATOM 5365 O1 TIP3A1789 9.108 32.548 15.739 1.00 0.00 O +ATOM 5366 H1 TIP3A1789 9.143 31.620 15.967 1.00 0.00 H +ATOM 5367 H2 TIP3A1789 9.201 32.564 14.785 1.00 0.00 H +ATOM 5368 O1 TIP3A1790 25.390 54.703 49.128 1.00 0.00 O +ATOM 5369 H1 TIP3A1790 26.339 54.583 49.138 1.00 0.00 H +ATOM 5370 H2 TIP3A1790 25.139 54.553 48.216 1.00 0.00 H +ATOM 5371 O1 TIP3A1791 50.342 46.304 2.850 1.00 0.00 O +ATOM 5372 H1 TIP3A1791 49.872 47.132 2.941 1.00 0.00 H +ATOM 5373 H2 TIP3A1791 49.919 45.717 3.476 1.00 0.00 H +ATOM 5374 O1 TIP3A1792 4.851 15.233 28.523 1.00 0.00 O +ATOM 5375 H1 TIP3A1792 5.191 16.058 28.866 1.00 0.00 H +ATOM 5376 H2 TIP3A1792 4.624 14.724 29.302 1.00 0.00 H +ATOM 5377 O1 TIP3A1793 3.434 38.521 37.274 1.00 0.00 O +ATOM 5378 H1 TIP3A1793 2.887 37.766 37.488 1.00 0.00 H +ATOM 5379 H2 TIP3A1793 3.813 38.789 38.112 1.00 0.00 H +ATOM 5380 O1 TIP3A1794 29.888 6.942 39.589 1.00 0.00 O +ATOM 5381 H1 TIP3A1794 30.633 6.559 40.051 1.00 0.00 H +ATOM 5382 H2 TIP3A1794 30.187 7.031 38.684 1.00 0.00 H +ATOM 5383 O1 TIP3A1795 50.543 31.903 8.350 1.00 0.00 O +ATOM 5384 H1 TIP3A1795 51.016 31.147 8.696 1.00 0.00 H +ATOM 5385 H2 TIP3A1795 50.803 31.949 7.430 1.00 0.00 H +ATOM 5386 O1 TIP3A1796 57.057 49.029 15.683 1.00 0.00 O +ATOM 5387 H1 TIP3A1796 57.983 49.247 15.777 1.00 0.00 H +ATOM 5388 H2 TIP3A1796 56.595 49.749 16.112 1.00 0.00 H +ATOM 5389 O1 TIP3A1797 38.613 21.570 10.195 1.00 0.00 O +ATOM 5390 H1 TIP3A1797 38.379 20.659 10.017 1.00 0.00 H +ATOM 5391 H2 TIP3A1797 39.402 21.722 9.674 1.00 0.00 H +ATOM 5392 O1 TIP3A1798 25.990 57.821 3.537 1.00 0.00 O +ATOM 5393 H1 TIP3A1798 26.920 58.000 3.669 1.00 0.00 H +ATOM 5394 H2 TIP3A1798 25.868 56.929 3.862 1.00 0.00 H +ATOM 5395 O1 TIP3A1799 13.541 52.028 43.399 1.00 0.00 O +ATOM 5396 H1 TIP3A1799 12.666 51.996 43.014 1.00 0.00 H +ATOM 5397 H2 TIP3A1799 14.079 52.467 42.739 1.00 0.00 H +ATOM 5398 O1 TIP3A1800 14.418 41.667 24.599 1.00 0.00 O +ATOM 5399 H1 TIP3A1800 13.952 40.832 24.569 1.00 0.00 H +ATOM 5400 H2 TIP3A1800 13.999 42.201 23.924 1.00 0.00 H +ATOM 5401 O1 TIP3A1801 32.099 36.367 3.137 1.00 0.00 O +ATOM 5402 H1 TIP3A1801 31.377 36.005 3.650 1.00 0.00 H +ATOM 5403 H2 TIP3A1801 32.883 35.958 3.503 1.00 0.00 H +ATOM 5404 O1 TIP3A1802 6.016 35.728 7.488 1.00 0.00 O +ATOM 5405 H1 TIP3A1802 5.097 35.468 7.423 1.00 0.00 H +ATOM 5406 H2 TIP3A1802 6.017 36.661 7.274 1.00 0.00 H +ATOM 5407 O1 TIP3A1803 35.976 30.631 22.082 1.00 0.00 O +ATOM 5408 H1 TIP3A1803 36.535 30.202 21.435 1.00 0.00 H +ATOM 5409 H2 TIP3A1803 35.289 31.052 21.565 1.00 0.00 H +ATOM 5410 O1 TIP3A1804 49.129 19.279 13.355 1.00 0.00 O +ATOM 5411 H1 TIP3A1804 49.469 19.781 14.095 1.00 0.00 H +ATOM 5412 H2 TIP3A1804 49.405 19.773 12.583 1.00 0.00 H +ATOM 5413 O1 TIP3A1805 52.416 25.646 1.918 1.00 0.00 O +ATOM 5414 H1 TIP3A1805 52.966 26.409 1.740 1.00 0.00 H +ATOM 5415 H2 TIP3A1805 51.999 25.841 2.758 1.00 0.00 H +ATOM 5416 O1 TIP3A1806 16.862 54.700 10.674 1.00 0.00 O +ATOM 5417 H1 TIP3A1806 17.515 54.650 11.372 1.00 0.00 H +ATOM 5418 H2 TIP3A1806 17.108 55.477 10.171 1.00 0.00 H +ATOM 5419 O1 TIP3A1807 24.889 0.350 22.435 1.00 0.00 O +ATOM 5420 H1 TIP3A1807 24.754 0.003 23.317 1.00 0.00 H +ATOM 5421 H2 TIP3A1807 24.066 0.171 21.979 1.00 0.00 H +ATOM 5422 O1 TIP3A1808 2.883 20.697 2.027 1.00 0.00 O +ATOM 5423 H1 TIP3A1808 2.361 21.311 1.510 1.00 0.00 H +ATOM 5424 H2 TIP3A1808 2.390 19.876 1.994 1.00 0.00 H +ATOM 5425 O1 TIP3A1809 34.080 56.405 26.220 1.00 0.00 O +ATOM 5426 H1 TIP3A1809 34.956 56.536 25.859 1.00 0.00 H +ATOM 5427 H2 TIP3A1809 34.049 56.977 26.987 1.00 0.00 H +ATOM 5428 O1 TIP3A1810 53.984 57.528 36.585 1.00 0.00 O +ATOM 5429 H1 TIP3A1810 53.029 57.560 36.533 1.00 0.00 H +ATOM 5430 H2 TIP3A1810 54.174 56.668 36.963 1.00 0.00 H +ATOM 5431 O1 TIP3A1811 52.822 1.183 29.680 1.00 0.00 O +ATOM 5432 H1 TIP3A1811 52.002 1.590 29.404 1.00 0.00 H +ATOM 5433 H2 TIP3A1811 53.504 1.775 29.361 1.00 0.00 H +ATOM 5434 O1 TIP3A1812 3.404 27.068 22.742 1.00 0.00 O +ATOM 5435 H1 TIP3A1812 3.989 26.544 23.288 1.00 0.00 H +ATOM 5436 H2 TIP3A1812 2.871 27.563 23.366 1.00 0.00 H +ATOM 5437 O1 TIP3A1813 4.714 48.601 26.141 1.00 0.00 O +ATOM 5438 H1 TIP3A1813 3.762 48.684 26.181 1.00 0.00 H +ATOM 5439 H2 TIP3A1813 5.036 49.502 26.184 1.00 0.00 H +ATOM 5440 O1 TIP3A1814 11.315 21.897 0.001 1.00 0.00 O +ATOM 5441 H1 TIP3A1814 11.101 20.965 0.016 1.00 0.00 H +ATOM 5442 H2 TIP3A1814 12.017 21.993 0.646 1.00 0.00 H +ATOM 5443 O1 TIP3A1815 57.627 17.214 29.839 1.00 0.00 O +ATOM 5444 H1 TIP3A1815 58.067 16.454 29.459 1.00 0.00 H +ATOM 5445 H2 TIP3A1815 57.998 17.964 29.372 1.00 0.00 H +ATOM 5446 O1 TIP3A1816 10.073 56.190 22.670 1.00 0.00 O +ATOM 5447 H1 TIP3A1816 9.143 56.015 22.528 1.00 0.00 H +ATOM 5448 H2 TIP3A1816 10.203 56.048 23.608 1.00 0.00 H +ATOM 5449 O1 TIP3A1817 16.167 30.724 37.695 1.00 0.00 O +ATOM 5450 H1 TIP3A1817 15.951 31.595 37.364 1.00 0.00 H +ATOM 5451 H2 TIP3A1817 16.426 30.870 38.605 1.00 0.00 H +ATOM 5452 O1 TIP3A1818 30.476 15.747 55.137 1.00 0.00 O +ATOM 5453 H1 TIP3A1818 30.952 14.976 54.830 1.00 0.00 H +ATOM 5454 H2 TIP3A1818 30.261 16.230 54.338 1.00 0.00 H +ATOM 5455 O1 TIP3A1819 24.777 47.970 5.073 1.00 0.00 O +ATOM 5456 H1 TIP3A1819 24.019 48.550 5.010 1.00 0.00 H +ATOM 5457 H2 TIP3A1819 25.453 48.504 5.491 1.00 0.00 H +ATOM 5458 O1 TIP3A1820 11.913 25.542 13.723 1.00 0.00 O +ATOM 5459 H1 TIP3A1820 11.417 26.031 14.380 1.00 0.00 H +ATOM 5460 H2 TIP3A1820 12.649 25.167 14.208 1.00 0.00 H +ATOM 5461 O1 TIP3A1821 14.277 32.844 54.658 1.00 0.00 O +ATOM 5462 H1 TIP3A1821 14.631 32.278 53.973 1.00 0.00 H +ATOM 5463 H2 TIP3A1821 13.385 33.041 54.369 1.00 0.00 H +ATOM 5464 O1 TIP3A1822 42.309 29.024 52.326 1.00 0.00 O +ATOM 5465 H1 TIP3A1822 42.663 28.179 52.601 1.00 0.00 H +ATOM 5466 H2 TIP3A1822 41.709 28.812 51.610 1.00 0.00 H +ATOM 5467 O1 TIP3A1823 9.024 39.614 13.731 1.00 0.00 O +ATOM 5468 H1 TIP3A1823 8.069 39.579 13.769 1.00 0.00 H +ATOM 5469 H2 TIP3A1823 9.304 38.709 13.876 1.00 0.00 H +ATOM 5470 O1 TIP3A1824 8.837 33.572 55.077 1.00 0.00 O +ATOM 5471 H1 TIP3A1824 9.503 33.661 55.758 1.00 0.00 H +ATOM 5472 H2 TIP3A1824 9.063 34.243 54.432 1.00 0.00 H +ATOM 5473 O1 TIP3A1825 25.862 38.305 0.217 1.00 0.00 O +ATOM 5474 H1 TIP3A1825 25.528 39.174 -0.002 1.00 0.00 H +ATOM 5475 H2 TIP3A1825 25.233 37.958 0.851 1.00 0.00 H +ATOM 5476 O1 TIP3A1826 39.597 26.794 38.722 1.00 0.00 O +ATOM 5477 H1 TIP3A1826 39.638 27.403 39.458 1.00 0.00 H +ATOM 5478 H2 TIP3A1826 40.109 26.037 39.008 1.00 0.00 H +ATOM 5479 O1 TIP3A1827 42.879 41.044 11.877 1.00 0.00 O +ATOM 5480 H1 TIP3A1827 43.214 41.939 11.890 1.00 0.00 H +ATOM 5481 H2 TIP3A1827 42.151 41.068 11.255 1.00 0.00 H +ATOM 5482 O1 TIP3A1828 21.097 13.034 52.965 1.00 0.00 O +ATOM 5483 H1 TIP3A1828 20.707 13.082 52.093 1.00 0.00 H +ATOM 5484 H2 TIP3A1828 21.869 12.478 52.852 1.00 0.00 H +ATOM 5485 O1 TIP3A1829 0.783 30.604 20.504 1.00 0.00 O +ATOM 5486 H1 TIP3A1829 0.970 29.689 20.708 1.00 0.00 H +ATOM 5487 H2 TIP3A1829 0.000 30.572 19.953 1.00 0.00 H +ATOM 5488 O1 TIP3A1830 14.635 19.074 33.581 1.00 0.00 O +ATOM 5489 H1 TIP3A1830 14.155 19.585 34.231 1.00 0.00 H +ATOM 5490 H2 TIP3A1830 15.544 19.092 33.884 1.00 0.00 H +ATOM 5491 O1 TIP3A1831 10.010 16.667 57.285 1.00 0.00 O +ATOM 5492 H1 TIP3A1831 9.818 16.456 56.372 1.00 0.00 H +ATOM 5493 H2 TIP3A1831 10.149 17.614 57.287 1.00 0.00 H +ATOM 5494 O1 TIP3A1832 11.417 1.252 37.597 1.00 0.00 O +ATOM 5495 H1 TIP3A1832 12.369 1.349 37.592 1.00 0.00 H +ATOM 5496 H2 TIP3A1832 11.245 0.598 38.276 1.00 0.00 H +ATOM 5497 O1 TIP3A1833 53.742 34.184 19.736 1.00 0.00 O +ATOM 5498 H1 TIP3A1833 54.201 35.002 19.549 1.00 0.00 H +ATOM 5499 H2 TIP3A1833 53.248 34.363 20.537 1.00 0.00 H +ATOM 5500 O1 TIP3A1834 46.540 0.746 46.907 1.00 0.00 O +ATOM 5501 H1 TIP3A1834 47.001 0.762 47.745 1.00 0.00 H +ATOM 5502 H2 TIP3A1834 46.895 -0.018 46.452 1.00 0.00 H +ATOM 5503 O1 TIP3A1835 34.171 34.384 36.803 1.00 0.00 O +ATOM 5504 H1 TIP3A1835 33.849 35.019 37.441 1.00 0.00 H +ATOM 5505 H2 TIP3A1835 35.005 34.082 37.164 1.00 0.00 H +ATOM 5506 O1 TIP3A1836 46.438 34.411 12.511 1.00 0.00 O +ATOM 5507 H1 TIP3A1836 45.643 34.606 12.016 1.00 0.00 H +ATOM 5508 H2 TIP3A1836 47.113 34.958 12.106 1.00 0.00 H +ATOM 5509 O1 TIP3A1837 32.404 52.628 50.611 1.00 0.00 O +ATOM 5510 H1 TIP3A1837 31.525 52.335 50.848 1.00 0.00 H +ATOM 5511 H2 TIP3A1837 32.276 53.155 49.821 1.00 0.00 H +ATOM 5512 O1 TIP3A1838 1.963 36.656 11.494 1.00 0.00 O +ATOM 5513 H1 TIP3A1838 2.488 35.946 11.125 1.00 0.00 H +ATOM 5514 H2 TIP3A1838 2.577 37.384 11.589 1.00 0.00 H +ATOM 5515 O1 TIP3A1839 11.675 9.128 6.706 1.00 0.00 O +ATOM 5516 H1 TIP3A1839 12.451 9.342 7.225 1.00 0.00 H +ATOM 5517 H2 TIP3A1839 11.895 9.413 5.819 1.00 0.00 H +ATOM 5518 O1 TIP3A1840 11.429 26.651 0.950 1.00 0.00 O +ATOM 5519 H1 TIP3A1840 10.503 26.836 1.098 1.00 0.00 H +ATOM 5520 H2 TIP3A1840 11.517 26.612 -0.003 1.00 0.00 H +ATOM 5521 O1 TIP3A1841 54.187 37.056 36.616 1.00 0.00 O +ATOM 5522 H1 TIP3A1841 53.756 36.568 37.317 1.00 0.00 H +ATOM 5523 H2 TIP3A1841 54.770 37.665 37.070 1.00 0.00 H +ATOM 5524 O1 TIP3A1842 51.577 22.693 27.079 1.00 0.00 O +ATOM 5525 H1 TIP3A1842 50.799 22.156 27.226 1.00 0.00 H +ATOM 5526 H2 TIP3A1842 52.096 22.586 27.876 1.00 0.00 H +ATOM 5527 O1 TIP3A1843 20.999 23.829 40.376 1.00 0.00 O +ATOM 5528 H1 TIP3A1843 21.306 24.517 40.967 1.00 0.00 H +ATOM 5529 H2 TIP3A1843 21.799 23.408 40.061 1.00 0.00 H +ATOM 5530 O1 TIP3A1844 12.275 14.136 54.871 1.00 0.00 O +ATOM 5531 H1 TIP3A1844 12.767 14.771 55.391 1.00 0.00 H +ATOM 5532 H2 TIP3A1844 12.350 14.454 53.971 1.00 0.00 H +ATOM 5533 O1 TIP3A1845 42.166 44.375 14.974 1.00 0.00 O +ATOM 5534 H1 TIP3A1845 41.524 43.727 14.688 1.00 0.00 H +ATOM 5535 H2 TIP3A1845 42.675 44.573 14.187 1.00 0.00 H +ATOM 5536 O1 TIP3A1846 53.458 28.069 13.019 1.00 0.00 O +ATOM 5537 H1 TIP3A1846 53.706 28.841 12.512 1.00 0.00 H +ATOM 5538 H2 TIP3A1846 54.176 27.451 12.882 1.00 0.00 H +ATOM 5539 O1 TIP3A1847 35.379 24.267 25.407 1.00 0.00 O +ATOM 5540 H1 TIP3A1847 34.905 24.218 26.237 1.00 0.00 H +ATOM 5541 H2 TIP3A1847 35.622 23.361 25.216 1.00 0.00 H +ATOM 5542 O1 TIP3A1848 57.578 10.884 29.528 1.00 0.00 O +ATOM 5543 H1 TIP3A1848 57.451 9.944 29.650 1.00 0.00 H +ATOM 5544 H2 TIP3A1848 58.000 11.176 30.337 1.00 0.00 H +ATOM 5545 O1 TIP3A1849 39.224 39.943 36.418 1.00 0.00 O +ATOM 5546 H1 TIP3A1849 39.343 39.976 37.367 1.00 0.00 H +ATOM 5547 H2 TIP3A1849 40.100 40.091 36.061 1.00 0.00 H +ATOM 5548 O1 TIP3A1850 13.963 20.134 5.114 1.00 0.00 O +ATOM 5549 H1 TIP3A1850 14.542 19.398 4.920 1.00 0.00 H +ATOM 5550 H2 TIP3A1850 13.720 20.014 6.032 1.00 0.00 H +ATOM 5551 O1 TIP3A1851 29.335 43.840 39.190 1.00 0.00 O +ATOM 5552 H1 TIP3A1851 30.244 44.133 39.240 1.00 0.00 H +ATOM 5553 H2 TIP3A1851 28.840 44.510 39.663 1.00 0.00 H +ATOM 5554 O1 TIP3A1852 0.500 11.988 41.792 1.00 0.00 O +ATOM 5555 H1 TIP3A1852 -0.000 11.175 41.852 1.00 0.00 H +ATOM 5556 H2 TIP3A1852 0.038 12.507 41.132 1.00 0.00 H +ATOM 5557 O1 TIP3A1853 36.620 12.632 38.335 1.00 0.00 O +ATOM 5558 H1 TIP3A1853 36.741 11.708 38.118 1.00 0.00 H +ATOM 5559 H2 TIP3A1853 36.235 13.015 37.546 1.00 0.00 H +ATOM 5560 O1 TIP3A1854 53.855 52.479 1.575 1.00 0.00 O +ATOM 5561 H1 TIP3A1854 53.828 51.871 0.837 1.00 0.00 H +ATOM 5562 H2 TIP3A1854 53.587 53.320 1.202 1.00 0.00 H +ATOM 5563 O1 TIP3A1855 46.423 5.065 34.867 1.00 0.00 O +ATOM 5564 H1 TIP3A1855 46.270 5.883 35.339 1.00 0.00 H +ATOM 5565 H2 TIP3A1855 46.539 4.409 35.555 1.00 0.00 H +ATOM 5566 O1 TIP3A1856 17.085 36.224 25.419 1.00 0.00 O +ATOM 5567 H1 TIP3A1856 17.888 35.823 25.750 1.00 0.00 H +ATOM 5568 H2 TIP3A1856 16.614 35.506 24.996 1.00 0.00 H +ATOM 5569 O1 TIP3A1857 47.969 54.691 51.360 1.00 0.00 O +ATOM 5570 H1 TIP3A1857 47.018 54.596 51.327 1.00 0.00 H +ATOM 5571 H2 TIP3A1857 48.121 55.629 51.246 1.00 0.00 H +ATOM 5572 O1 TIP3A1858 43.939 29.162 39.206 1.00 0.00 O +ATOM 5573 H1 TIP3A1858 44.276 28.267 39.185 1.00 0.00 H +ATOM 5574 H2 TIP3A1858 44.473 29.605 39.866 1.00 0.00 H +ATOM 5575 O1 TIP3A1859 1.027 31.979 0.269 1.00 0.00 O +ATOM 5576 H1 TIP3A1859 1.244 32.909 0.218 1.00 0.00 H +ATOM 5577 H2 TIP3A1859 0.298 31.935 0.888 1.00 0.00 H +ATOM 5578 O1 TIP3A1860 35.232 46.880 26.681 1.00 0.00 O +ATOM 5579 H1 TIP3A1860 34.341 46.653 26.948 1.00 0.00 H +ATOM 5580 H2 TIP3A1860 35.770 46.684 27.449 1.00 0.00 H +ATOM 5581 O1 TIP3A1861 24.394 26.148 53.022 1.00 0.00 O +ATOM 5582 H1 TIP3A1861 23.472 26.376 52.912 1.00 0.00 H +ATOM 5583 H2 TIP3A1861 24.866 26.793 52.494 1.00 0.00 H +ATOM 5584 O1 TIP3A1862 23.878 26.174 44.259 1.00 0.00 O +ATOM 5585 H1 TIP3A1862 24.211 27.070 44.277 1.00 0.00 H +ATOM 5586 H2 TIP3A1862 23.173 26.166 44.908 1.00 0.00 H +ATOM 5587 O1 TIP3A1863 49.009 30.293 53.194 1.00 0.00 O +ATOM 5588 H1 TIP3A1863 49.446 30.936 52.638 1.00 0.00 H +ATOM 5589 H2 TIP3A1863 49.723 29.844 53.649 1.00 0.00 H +ATOM 5590 O1 TIP3A1864 53.718 10.611 12.193 1.00 0.00 O +ATOM 5591 H1 TIP3A1864 54.266 10.918 12.915 1.00 0.00 H +ATOM 5592 H2 TIP3A1864 53.393 11.412 11.781 1.00 0.00 H +ATOM 5593 O1 TIP3A1865 48.089 49.628 54.111 1.00 0.00 O +ATOM 5594 H1 TIP3A1865 48.995 49.811 53.863 1.00 0.00 H +ATOM 5595 H2 TIP3A1865 47.787 48.991 53.463 1.00 0.00 H +ATOM 5596 O1 TIP3A1866 46.855 34.000 49.531 1.00 0.00 O +ATOM 5597 H1 TIP3A1866 46.626 34.790 50.020 1.00 0.00 H +ATOM 5598 H2 TIP3A1866 47.615 34.255 49.005 1.00 0.00 H +ATOM 5599 O1 TIP3A1867 4.939 18.085 40.184 1.00 0.00 O +ATOM 5600 H1 TIP3A1867 5.495 18.855 40.298 1.00 0.00 H +ATOM 5601 H2 TIP3A1867 4.285 18.155 40.880 1.00 0.00 H +ATOM 5602 O1 TIP3A1868 19.671 11.701 39.354 1.00 0.00 O +ATOM 5603 H1 TIP3A1868 19.794 10.763 39.214 1.00 0.00 H +ATOM 5604 H2 TIP3A1868 19.032 11.961 38.690 1.00 0.00 H +ATOM 5605 O1 TIP3A1869 46.015 9.602 27.789 1.00 0.00 O +ATOM 5606 H1 TIP3A1869 46.395 10.459 27.601 1.00 0.00 H +ATOM 5607 H2 TIP3A1869 46.333 9.038 27.083 1.00 0.00 H +ATOM 5608 O1 TIP3A1870 26.383 11.190 18.369 1.00 0.00 O +ATOM 5609 H1 TIP3A1870 26.947 11.949 18.514 1.00 0.00 H +ATOM 5610 H2 TIP3A1870 26.692 10.814 17.545 1.00 0.00 H +ATOM 5611 O1 TIP3A1871 23.084 55.428 56.400 1.00 0.00 O +ATOM 5612 H1 TIP3A1871 22.790 55.826 57.219 1.00 0.00 H +ATOM 5613 H2 TIP3A1871 22.281 55.105 55.989 1.00 0.00 H +ATOM 5614 O1 TIP3A1872 55.570 19.970 31.367 1.00 0.00 O +ATOM 5615 H1 TIP3A1872 54.618 19.899 31.318 1.00 0.00 H +ATOM 5616 H2 TIP3A1872 55.825 19.332 32.034 1.00 0.00 H +ATOM 5617 O1 TIP3A1873 56.476 42.660 30.875 1.00 0.00 O +ATOM 5618 H1 TIP3A1873 55.528 42.532 30.882 1.00 0.00 H +ATOM 5619 H2 TIP3A1873 56.826 41.848 30.509 1.00 0.00 H +ATOM 5620 O1 TIP3A1874 30.691 22.372 46.643 1.00 0.00 O +ATOM 5621 H1 TIP3A1874 31.359 21.772 46.315 1.00 0.00 H +ATOM 5622 H2 TIP3A1874 30.567 23.003 45.933 1.00 0.00 H +ATOM 5623 O1 TIP3A1875 27.665 13.745 38.744 1.00 0.00 O +ATOM 5624 H1 TIP3A1875 28.511 13.319 38.881 1.00 0.00 H +ATOM 5625 H2 TIP3A1875 27.213 13.657 39.583 1.00 0.00 H +ATOM 5626 O1 TIP3A1876 25.066 15.095 43.125 1.00 0.00 O +ATOM 5627 H1 TIP3A1876 24.315 14.502 43.141 1.00 0.00 H +ATOM 5628 H2 TIP3A1876 24.901 15.710 43.840 1.00 0.00 H +ATOM 5629 O1 TIP3A1877 17.859 5.194 17.883 1.00 0.00 O +ATOM 5630 H1 TIP3A1877 18.516 4.526 18.076 1.00 0.00 H +ATOM 5631 H2 TIP3A1877 18.176 5.621 17.087 1.00 0.00 H +ATOM 5632 O1 TIP3A1878 42.323 1.485 12.001 1.00 0.00 O +ATOM 5633 H1 TIP3A1878 41.399 1.240 11.969 1.00 0.00 H +ATOM 5634 H2 TIP3A1878 42.387 2.256 11.437 1.00 0.00 H +ATOM 5635 O1 TIP3A1879 20.341 39.541 10.591 1.00 0.00 O +ATOM 5636 H1 TIP3A1879 19.944 38.671 10.575 1.00 0.00 H +ATOM 5637 H2 TIP3A1879 19.946 40.000 9.850 1.00 0.00 H +ATOM 5638 O1 TIP3A1880 49.185 51.311 28.864 1.00 0.00 O +ATOM 5639 H1 TIP3A1880 49.464 50.662 29.509 1.00 0.00 H +ATOM 5640 H2 TIP3A1880 48.233 51.353 28.962 1.00 0.00 H +ATOM 5641 O1 TIP3A1881 30.290 55.343 29.098 1.00 0.00 O +ATOM 5642 H1 TIP3A1881 29.386 55.036 29.035 1.00 0.00 H +ATOM 5643 H2 TIP3A1881 30.483 55.330 30.036 1.00 0.00 H +ATOM 5644 O1 TIP3A1882 8.201 8.815 32.137 1.00 0.00 O +ATOM 5645 H1 TIP3A1882 7.916 9.031 33.024 1.00 0.00 H +ATOM 5646 H2 TIP3A1882 9.056 9.236 32.049 1.00 0.00 H +ATOM 5647 O1 TIP3A1883 11.057 51.559 30.109 1.00 0.00 O +ATOM 5648 H1 TIP3A1883 11.741 50.965 30.417 1.00 0.00 H +ATOM 5649 H2 TIP3A1883 11.342 52.425 30.403 1.00 0.00 H +ATOM 5650 O1 TIP3A1884 53.240 45.867 24.385 1.00 0.00 O +ATOM 5651 H1 TIP3A1884 53.821 46.267 23.738 1.00 0.00 H +ATOM 5652 H2 TIP3A1884 52.578 45.412 23.863 1.00 0.00 H +ATOM 5653 O1 TIP3A1885 2.874 19.846 36.499 1.00 0.00 O +ATOM 5654 H1 TIP3A1885 2.126 20.246 36.941 1.00 0.00 H +ATOM 5655 H2 TIP3A1885 2.787 20.121 35.585 1.00 0.00 H +ATOM 5656 O1 TIP3A1886 6.230 54.638 55.487 1.00 0.00 O +ATOM 5657 H1 TIP3A1886 6.024 55.572 55.503 1.00 0.00 H +ATOM 5658 H2 TIP3A1886 5.777 54.279 56.251 1.00 0.00 H +ATOM 5659 O1 TIP3A1887 3.724 4.269 2.584 1.00 0.00 O +ATOM 5660 H1 TIP3A1887 3.635 3.320 2.671 1.00 0.00 H +ATOM 5661 H2 TIP3A1887 4.555 4.473 3.015 1.00 0.00 H +ATOM 5662 O1 TIP3A1888 32.442 15.651 29.164 1.00 0.00 O +ATOM 5663 H1 TIP3A1888 32.957 16.362 29.544 1.00 0.00 H +ATOM 5664 H2 TIP3A1888 32.695 14.876 29.667 1.00 0.00 H +ATOM 5665 O1 TIP3A1889 25.488 0.740 52.996 1.00 0.00 O +ATOM 5666 H1 TIP3A1889 26.010 1.241 52.371 1.00 0.00 H +ATOM 5667 H2 TIP3A1889 24.608 1.110 52.925 1.00 0.00 H +ATOM 5668 O1 TIP3A1890 38.447 27.011 18.178 1.00 0.00 O +ATOM 5669 H1 TIP3A1890 37.944 26.205 18.065 1.00 0.00 H +ATOM 5670 H2 TIP3A1890 39.067 26.812 18.880 1.00 0.00 H +ATOM 5671 O1 TIP3A1891 54.932 23.959 34.809 1.00 0.00 O +ATOM 5672 H1 TIP3A1891 55.276 23.256 35.360 1.00 0.00 H +ATOM 5673 H2 TIP3A1891 55.523 24.697 34.965 1.00 0.00 H +ATOM 5674 O1 TIP3A1892 41.922 48.128 18.298 1.00 0.00 O +ATOM 5675 H1 TIP3A1892 41.418 48.902 18.551 1.00 0.00 H +ATOM 5676 H2 TIP3A1892 41.315 47.609 17.770 1.00 0.00 H +ATOM 5677 O1 TIP3A1893 54.310 1.780 33.536 1.00 0.00 O +ATOM 5678 H1 TIP3A1893 54.295 2.265 32.711 1.00 0.00 H +ATOM 5679 H2 TIP3A1893 55.022 1.149 33.429 1.00 0.00 H +ATOM 5680 O1 TIP3A1894 4.713 48.228 7.224 1.00 0.00 O +ATOM 5681 H1 TIP3A1894 5.127 49.089 7.287 1.00 0.00 H +ATOM 5682 H2 TIP3A1894 5.204 47.776 6.537 1.00 0.00 H +ATOM 5683 O1 TIP3A1895 52.195 24.967 45.312 1.00 0.00 O +ATOM 5684 H1 TIP3A1895 52.539 24.075 45.276 1.00 0.00 H +ATOM 5685 H2 TIP3A1895 51.315 24.871 45.676 1.00 0.00 H +ATOM 5686 O1 TIP3A1896 0.873 39.803 37.814 1.00 0.00 O +ATOM 5687 H1 TIP3A1896 0.782 40.152 36.928 1.00 0.00 H +ATOM 5688 H2 TIP3A1896 -0.000 39.478 38.034 1.00 0.00 H +ATOM 5689 O1 TIP3A1897 53.449 9.039 9.322 1.00 0.00 O +ATOM 5690 H1 TIP3A1897 53.066 9.544 8.605 1.00 0.00 H +ATOM 5691 H2 TIP3A1897 54.145 9.599 9.666 1.00 0.00 H +ATOM 5692 O1 TIP3A1898 52.955 22.075 51.594 1.00 0.00 O +ATOM 5693 H1 TIP3A1898 52.472 21.265 51.752 1.00 0.00 H +ATOM 5694 H2 TIP3A1898 53.783 21.956 52.061 1.00 0.00 H +ATOM 5695 O1 TIP3A1899 57.124 22.983 28.660 1.00 0.00 O +ATOM 5696 H1 TIP3A1899 57.021 23.907 28.882 1.00 0.00 H +ATOM 5697 H2 TIP3A1899 57.971 22.935 28.216 1.00 0.00 H +ATOM 5698 O1 TIP3A1900 12.949 53.120 49.621 1.00 0.00 O +ATOM 5699 H1 TIP3A1900 12.130 53.543 49.366 1.00 0.00 H +ATOM 5700 H2 TIP3A1900 12.679 52.381 50.167 1.00 0.00 H +ATOM 5701 O1 TIP3A1901 33.920 32.212 40.460 1.00 0.00 O +ATOM 5702 H1 TIP3A1901 34.747 32.626 40.705 1.00 0.00 H +ATOM 5703 H2 TIP3A1901 34.170 31.516 39.851 1.00 0.00 H +ATOM 5704 O1 TIP3A1902 45.611 21.513 38.831 1.00 0.00 O +ATOM 5705 H1 TIP3A1902 46.304 20.886 38.628 1.00 0.00 H +ATOM 5706 H2 TIP3A1902 45.720 21.698 39.764 1.00 0.00 H +ATOM 5707 O1 TIP3A1903 44.797 19.589 23.477 1.00 0.00 O +ATOM 5708 H1 TIP3A1903 43.974 20.073 23.419 1.00 0.00 H +ATOM 5709 H2 TIP3A1903 44.542 18.716 23.777 1.00 0.00 H +ATOM 5710 O1 TIP3A1904 19.939 9.369 55.082 1.00 0.00 O +ATOM 5711 H1 TIP3A1904 20.353 8.815 54.421 1.00 0.00 H +ATOM 5712 H2 TIP3A1904 19.026 9.439 54.799 1.00 0.00 H +ATOM 5713 O1 TIP3A1905 56.514 11.991 49.026 1.00 0.00 O +ATOM 5714 H1 TIP3A1905 55.772 11.930 49.626 1.00 0.00 H +ATOM 5715 H2 TIP3A1905 57.275 12.108 49.595 1.00 0.00 H +ATOM 5716 O1 TIP3A1906 56.120 32.053 21.449 1.00 0.00 O +ATOM 5717 H1 TIP3A1906 57.009 32.399 21.527 1.00 0.00 H +ATOM 5718 H2 TIP3A1906 55.613 32.776 21.078 1.00 0.00 H +ATOM 5719 O1 TIP3A1907 0.917 26.317 12.804 1.00 0.00 O +ATOM 5720 H1 TIP3A1907 1.372 27.155 12.726 1.00 0.00 H +ATOM 5721 H2 TIP3A1907 0.229 26.477 13.451 1.00 0.00 H +ATOM 5722 O1 TIP3A1908 6.163 38.439 24.387 1.00 0.00 O +ATOM 5723 H1 TIP3A1908 5.988 39.349 24.152 1.00 0.00 H +ATOM 5724 H2 TIP3A1908 6.968 38.220 23.917 1.00 0.00 H +ATOM 5725 O1 TIP3A1909 21.195 57.456 20.318 1.00 0.00 O +ATOM 5726 H1 TIP3A1909 21.980 58.000 20.364 1.00 0.00 H +ATOM 5727 H2 TIP3A1909 21.083 57.275 19.384 1.00 0.00 H +ATOM 5728 O1 TIP3A1910 51.319 14.570 37.491 1.00 0.00 O +ATOM 5729 H1 TIP3A1910 51.653 14.260 38.332 1.00 0.00 H +ATOM 5730 H2 TIP3A1910 50.477 14.974 37.702 1.00 0.00 H +ATOM 5731 O1 TIP3A1911 36.808 5.168 8.481 1.00 0.00 O +ATOM 5732 H1 TIP3A1911 37.629 5.266 8.962 1.00 0.00 H +ATOM 5733 H2 TIP3A1911 36.664 4.222 8.442 1.00 0.00 H +ATOM 5734 O1 TIP3A1912 25.006 29.404 30.847 1.00 0.00 O +ATOM 5735 H1 TIP3A1912 25.456 29.475 31.689 1.00 0.00 H +ATOM 5736 H2 TIP3A1912 25.624 28.938 30.283 1.00 0.00 H +ATOM 5737 O1 TIP3A1913 38.563 47.978 17.579 1.00 0.00 O +ATOM 5738 H1 TIP3A1913 38.288 48.531 18.310 1.00 0.00 H +ATOM 5739 H2 TIP3A1913 39.093 47.291 17.984 1.00 0.00 H +ATOM 5740 O1 TIP3A1914 3.503 14.534 20.295 1.00 0.00 O +ATOM 5741 H1 TIP3A1914 4.200 14.703 19.662 1.00 0.00 H +ATOM 5742 H2 TIP3A1914 3.866 14.817 21.135 1.00 0.00 H +ATOM 5743 O1 TIP3A1915 18.403 1.251 48.355 1.00 0.00 O +ATOM 5744 H1 TIP3A1915 17.727 0.984 47.733 1.00 0.00 H +ATOM 5745 H2 TIP3A1915 19.204 0.838 48.031 1.00 0.00 H +ATOM 5746 O1 TIP3A1916 33.059 12.118 14.485 1.00 0.00 O +ATOM 5747 H1 TIP3A1916 33.064 11.183 14.687 1.00 0.00 H +ATOM 5748 H2 TIP3A1916 32.166 12.294 14.187 1.00 0.00 H +ATOM 5749 O1 TIP3A1917 46.995 9.598 32.991 1.00 0.00 O +ATOM 5750 H1 TIP3A1917 46.999 10.554 33.031 1.00 0.00 H +ATOM 5751 H2 TIP3A1917 47.786 9.376 32.499 1.00 0.00 H +ATOM 5752 O1 TIP3A1918 11.774 43.547 36.198 1.00 0.00 O +ATOM 5753 H1 TIP3A1918 11.001 43.112 36.555 1.00 0.00 H +ATOM 5754 H2 TIP3A1918 12.372 43.622 36.943 1.00 0.00 H +ATOM 5755 O1 TIP3A1919 17.957 16.512 22.630 1.00 0.00 O +ATOM 5756 H1 TIP3A1919 18.788 16.933 22.413 1.00 0.00 H +ATOM 5757 H2 TIP3A1919 17.529 16.373 21.785 1.00 0.00 H +ATOM 5758 O1 TIP3A1920 17.831 21.005 5.168 1.00 0.00 O +ATOM 5759 H1 TIP3A1920 17.985 20.342 4.495 1.00 0.00 H +ATOM 5760 H2 TIP3A1920 17.343 20.545 5.851 1.00 0.00 H +ATOM 5761 O1 TIP3A1921 25.956 32.359 11.084 1.00 0.00 O +ATOM 5762 H1 TIP3A1921 26.872 32.088 11.048 1.00 0.00 H +ATOM 5763 H2 TIP3A1921 25.833 32.671 11.981 1.00 0.00 H +ATOM 5764 O1 TIP3A1922 23.677 8.835 39.460 1.00 0.00 O +ATOM 5765 H1 TIP3A1922 23.363 9.503 38.851 1.00 0.00 H +ATOM 5766 H2 TIP3A1922 23.073 8.884 40.201 1.00 0.00 H +ATOM 5767 O1 TIP3A1923 46.846 36.159 1.635 1.00 0.00 O +ATOM 5768 H1 TIP3A1923 46.970 36.886 2.244 1.00 0.00 H +ATOM 5769 H2 TIP3A1923 47.200 36.478 0.805 1.00 0.00 H +ATOM 5770 O1 TIP3A1924 34.954 8.712 34.660 1.00 0.00 O +ATOM 5771 H1 TIP3A1924 34.060 8.761 34.998 1.00 0.00 H +ATOM 5772 H2 TIP3A1924 35.027 9.459 34.064 1.00 0.00 H +ATOM 5773 O1 TIP3A1925 23.715 4.452 56.037 1.00 0.00 O +ATOM 5774 H1 TIP3A1925 23.632 4.958 56.845 1.00 0.00 H +ATOM 5775 H2 TIP3A1925 24.659 4.375 55.897 1.00 0.00 H +ATOM 5776 O1 TIP3A1926 56.708 28.289 40.909 1.00 0.00 O +ATOM 5777 H1 TIP3A1926 55.782 28.407 41.119 1.00 0.00 H +ATOM 5778 H2 TIP3A1926 56.801 27.348 40.755 1.00 0.00 H +ATOM 5779 O1 TIP3A1927 41.317 50.412 16.147 1.00 0.00 O +ATOM 5780 H1 TIP3A1927 40.654 50.773 16.736 1.00 0.00 H +ATOM 5781 H2 TIP3A1927 41.203 49.464 16.210 1.00 0.00 H +ATOM 5782 O1 TIP3A1928 39.788 41.074 41.565 1.00 0.00 O +ATOM 5783 H1 TIP3A1928 40.063 40.589 42.342 1.00 0.00 H +ATOM 5784 H2 TIP3A1928 40.499 40.945 40.937 1.00 0.00 H +ATOM 5785 O1 TIP3A1929 17.887 50.616 20.265 1.00 0.00 O +ATOM 5786 H1 TIP3A1929 16.972 50.643 19.988 1.00 0.00 H +ATOM 5787 H2 TIP3A1929 18.335 51.222 19.672 1.00 0.00 H +ATOM 5788 O1 TIP3A1930 47.085 41.407 3.997 1.00 0.00 O +ATOM 5789 H1 TIP3A1930 47.169 41.962 4.772 1.00 0.00 H +ATOM 5790 H2 TIP3A1930 47.947 41.442 3.582 1.00 0.00 H +ATOM 5791 O1 TIP3A1931 47.785 29.582 18.860 1.00 0.00 O +ATOM 5792 H1 TIP3A1931 46.996 29.936 18.449 1.00 0.00 H +ATOM 5793 H2 TIP3A1931 47.461 29.085 19.611 1.00 0.00 H +ATOM 5794 O1 TIP3A1932 17.186 48.142 34.799 1.00 0.00 O +ATOM 5795 H1 TIP3A1932 17.231 49.096 34.754 1.00 0.00 H +ATOM 5796 H2 TIP3A1932 17.830 47.902 35.467 1.00 0.00 H +ATOM 5797 O1 TIP3A1933 30.495 2.586 14.397 1.00 0.00 O +ATOM 5798 H1 TIP3A1933 30.880 1.862 14.890 1.00 0.00 H +ATOM 5799 H2 TIP3A1933 29.690 2.223 14.027 1.00 0.00 H +ATOM 5800 O1 TIP3A1934 56.591 55.061 26.475 1.00 0.00 O +ATOM 5801 H1 TIP3A1934 56.107 55.495 27.177 1.00 0.00 H +ATOM 5802 H2 TIP3A1934 56.131 55.316 25.674 1.00 0.00 H +ATOM 5803 O1 TIP3A1935 32.276 24.020 49.768 1.00 0.00 O +ATOM 5804 H1 TIP3A1935 31.885 24.577 50.440 1.00 0.00 H +ATOM 5805 H2 TIP3A1935 32.810 23.392 50.257 1.00 0.00 H +ATOM 5806 O1 TIP3A1936 9.102 3.164 2.258 1.00 0.00 O +ATOM 5807 H1 TIP3A1936 8.962 3.590 3.103 1.00 0.00 H +ATOM 5808 H2 TIP3A1936 8.342 3.416 1.734 1.00 0.00 H +ATOM 5809 O1 TIP3A1937 10.697 11.307 9.498 1.00 0.00 O +ATOM 5810 H1 TIP3A1937 11.390 11.963 9.551 1.00 0.00 H +ATOM 5811 H2 TIP3A1937 10.032 11.609 10.119 1.00 0.00 H +ATOM 5812 O1 TIP3A1938 30.140 42.079 29.549 1.00 0.00 O +ATOM 5813 H1 TIP3A1938 30.045 43.003 29.776 1.00 0.00 H +ATOM 5814 H2 TIP3A1938 30.936 42.043 29.017 1.00 0.00 H +ATOM 5815 O1 TIP3A1939 13.416 49.586 21.823 1.00 0.00 O +ATOM 5816 H1 TIP3A1939 13.658 48.662 21.783 1.00 0.00 H +ATOM 5817 H2 TIP3A1939 12.814 49.709 21.087 1.00 0.00 H +ATOM 5818 O1 TIP3A1940 55.552 31.679 39.883 1.00 0.00 O +ATOM 5819 H1 TIP3A1940 56.114 31.017 40.283 1.00 0.00 H +ATOM 5820 H2 TIP3A1940 55.202 31.256 39.099 1.00 0.00 H +ATOM 5821 O1 TIP3A1941 39.715 47.242 41.547 1.00 0.00 O +ATOM 5822 H1 TIP3A1941 40.559 47.271 41.097 1.00 0.00 H +ATOM 5823 H2 TIP3A1941 39.098 46.938 40.881 1.00 0.00 H +ATOM 5824 O1 TIP3A1942 52.031 23.633 22.198 1.00 0.00 O +ATOM 5825 H1 TIP3A1942 52.982 23.740 22.181 1.00 0.00 H +ATOM 5826 H2 TIP3A1942 51.857 22.937 21.563 1.00 0.00 H +ATOM 5827 O1 TIP3A1943 45.079 47.959 54.875 1.00 0.00 O +ATOM 5828 H1 TIP3A1943 45.800 48.504 54.562 1.00 0.00 H +ATOM 5829 H2 TIP3A1943 44.488 47.889 54.126 1.00 0.00 H +ATOM 5830 O1 TIP3A1944 53.647 0.731 21.587 1.00 0.00 O +ATOM 5831 H1 TIP3A1944 54.575 0.936 21.694 1.00 0.00 H +ATOM 5832 H2 TIP3A1944 53.634 -0.022 20.996 1.00 0.00 H +ATOM 5833 O1 TIP3A1945 13.748 16.505 -0.001 1.00 0.00 O +ATOM 5834 H1 TIP3A1945 14.425 16.751 0.629 1.00 0.00 H +ATOM 5835 H2 TIP3A1945 12.929 16.561 0.493 1.00 0.00 H +ATOM 5836 O1 TIP3A1946 34.735 8.335 42.447 1.00 0.00 O +ATOM 5837 H1 TIP3A1946 35.198 9.123 42.730 1.00 0.00 H +ATOM 5838 H2 TIP3A1946 34.037 8.222 43.092 1.00 0.00 H +ATOM 5839 O1 TIP3A1947 29.146 49.865 44.832 1.00 0.00 O +ATOM 5840 H1 TIP3A1947 29.161 49.183 44.161 1.00 0.00 H +ATOM 5841 H2 TIP3A1947 30.023 50.249 44.804 1.00 0.00 H +ATOM 5842 O1 TIP3A1948 5.120 21.526 24.311 1.00 0.00 O +ATOM 5843 H1 TIP3A1948 5.514 22.376 24.117 1.00 0.00 H +ATOM 5844 H2 TIP3A1948 5.781 21.070 24.833 1.00 0.00 H +ATOM 5845 O1 TIP3A1949 49.199 48.736 23.360 1.00 0.00 O +ATOM 5846 H1 TIP3A1949 48.691 47.966 23.612 1.00 0.00 H +ATOM 5847 H2 TIP3A1949 49.932 48.753 23.976 1.00 0.00 H +ATOM 5848 O1 TIP3A1950 3.692 8.013 46.812 1.00 0.00 O +ATOM 5849 H1 TIP3A1950 2.736 7.985 46.799 1.00 0.00 H +ATOM 5850 H2 TIP3A1950 3.921 8.677 46.161 1.00 0.00 H +ATOM 5851 O1 TIP3A1951 53.394 20.956 39.858 1.00 0.00 O +ATOM 5852 H1 TIP3A1951 54.223 20.529 39.645 1.00 0.00 H +ATOM 5853 H2 TIP3A1951 52.767 20.585 39.237 1.00 0.00 H +ATOM 5854 O1 TIP3A1952 46.040 26.519 57.433 1.00 0.00 O +ATOM 5855 H1 TIP3A1952 46.857 26.051 57.261 1.00 0.00 H +ATOM 5856 H2 TIP3A1952 46.036 27.236 56.799 1.00 0.00 H +ATOM 5857 O1 TIP3A1953 24.573 53.969 37.981 1.00 0.00 O +ATOM 5858 H1 TIP3A1953 24.910 54.138 37.102 1.00 0.00 H +ATOM 5859 H2 TIP3A1953 24.522 53.014 38.040 1.00 0.00 H +ATOM 5860 O1 TIP3A1954 56.244 5.724 36.717 1.00 0.00 O +ATOM 5861 H1 TIP3A1954 56.105 6.628 36.997 1.00 0.00 H +ATOM 5862 H2 TIP3A1954 55.484 5.249 37.053 1.00 0.00 H +ATOM 5863 O1 TIP3A1955 15.114 27.167 39.445 1.00 0.00 O +ATOM 5864 H1 TIP3A1955 15.458 26.823 40.269 1.00 0.00 H +ATOM 5865 H2 TIP3A1955 14.293 26.692 39.311 1.00 0.00 H +ATOM 5866 O1 TIP3A1956 43.197 10.393 28.251 1.00 0.00 O +ATOM 5867 H1 TIP3A1956 43.465 11.171 28.738 1.00 0.00 H +ATOM 5868 H2 TIP3A1956 43.913 10.237 27.634 1.00 0.00 H +ATOM 5869 O1 TIP3A1957 20.949 39.637 29.459 1.00 0.00 O +ATOM 5870 H1 TIP3A1957 20.661 40.526 29.259 1.00 0.00 H +ATOM 5871 H2 TIP3A1957 21.798 39.750 29.888 1.00 0.00 H +ATOM 5872 O1 TIP3A1958 17.268 17.876 36.920 1.00 0.00 O +ATOM 5873 H1 TIP3A1958 16.835 17.689 36.088 1.00 0.00 H +ATOM 5874 H2 TIP3A1958 16.578 17.782 37.577 1.00 0.00 H +ATOM 5875 O1 TIP3A1959 17.254 24.328 38.662 1.00 0.00 O +ATOM 5876 H1 TIP3A1959 16.811 25.156 38.478 1.00 0.00 H +ATOM 5877 H2 TIP3A1959 17.832 24.524 39.400 1.00 0.00 H +ATOM 5878 O1 TIP3A1960 4.908 9.660 53.207 1.00 0.00 O +ATOM 5879 H1 TIP3A1960 5.474 9.945 53.924 1.00 0.00 H +ATOM 5880 H2 TIP3A1960 4.044 9.562 53.608 1.00 0.00 H +ATOM 5881 O1 TIP3A1961 25.497 34.776 10.594 1.00 0.00 O +ATOM 5882 H1 TIP3A1961 26.165 34.735 11.278 1.00 0.00 H +ATOM 5883 H2 TIP3A1961 25.819 35.440 9.983 1.00 0.00 H +ATOM 5884 O1 TIP3A1962 12.680 28.653 27.451 1.00 0.00 O +ATOM 5885 H1 TIP3A1962 12.158 27.857 27.356 1.00 0.00 H +ATOM 5886 H2 TIP3A1962 12.251 29.291 26.878 1.00 0.00 H +ATOM 5887 O1 TIP3A1963 15.056 51.656 17.178 1.00 0.00 O +ATOM 5888 H1 TIP3A1963 15.065 51.633 16.222 1.00 0.00 H +ATOM 5889 H2 TIP3A1963 14.251 52.125 17.400 1.00 0.00 H +ATOM 5890 O1 TIP3A1964 5.015 4.483 31.324 1.00 0.00 O +ATOM 5891 H1 TIP3A1964 5.583 4.487 32.093 1.00 0.00 H +ATOM 5892 H2 TIP3A1964 5.000 5.394 31.030 1.00 0.00 H +ATOM 5893 O1 TIP3A1965 36.015 26.206 36.541 1.00 0.00 O +ATOM 5894 H1 TIP3A1965 36.002 27.118 36.254 1.00 0.00 H +ATOM 5895 H2 TIP3A1965 36.769 25.823 36.092 1.00 0.00 H +ATOM 5896 O1 TIP3A1966 44.654 38.225 51.690 1.00 0.00 O +ATOM 5897 H1 TIP3A1966 43.849 37.710 51.662 1.00 0.00 H +ATOM 5898 H2 TIP3A1966 45.195 37.789 52.349 1.00 0.00 H +ATOM 5899 O1 TIP3A1967 53.205 44.891 28.656 1.00 0.00 O +ATOM 5900 H1 TIP3A1967 53.818 45.303 29.264 1.00 0.00 H +ATOM 5901 H2 TIP3A1967 53.753 44.581 27.935 1.00 0.00 H +ATOM 5902 O1 TIP3A1968 47.092 22.238 35.998 1.00 0.00 O +ATOM 5903 H1 TIP3A1968 46.355 22.038 36.574 1.00 0.00 H +ATOM 5904 H2 TIP3A1968 47.845 21.820 36.419 1.00 0.00 H +ATOM 5905 O1 TIP3A1969 45.751 55.932 49.566 1.00 0.00 O +ATOM 5906 H1 TIP3A1969 46.350 55.677 48.865 1.00 0.00 H +ATOM 5907 H2 TIP3A1969 45.491 56.827 49.347 1.00 0.00 H +ATOM 5908 O1 TIP3A1970 57.227 7.313 19.454 1.00 0.00 O +ATOM 5909 H1 TIP3A1970 56.576 6.949 18.855 1.00 0.00 H +ATOM 5910 H2 TIP3A1970 57.832 7.794 18.889 1.00 0.00 H +ATOM 5911 O1 TIP3A1971 10.541 43.047 2.489 1.00 0.00 O +ATOM 5912 H1 TIP3A1971 10.583 42.426 3.215 1.00 0.00 H +ATOM 5913 H2 TIP3A1971 9.896 42.672 1.889 1.00 0.00 H +ATOM 5914 O1 TIP3A1972 24.203 53.673 22.075 1.00 0.00 O +ATOM 5915 H1 TIP3A1972 24.323 53.421 21.160 1.00 0.00 H +ATOM 5916 H2 TIP3A1972 24.936 53.264 22.535 1.00 0.00 H +ATOM 5917 O1 TIP3A1973 32.443 45.300 4.942 1.00 0.00 O +ATOM 5918 H1 TIP3A1973 32.577 46.246 4.963 1.00 0.00 H +ATOM 5919 H2 TIP3A1973 31.741 45.143 5.574 1.00 0.00 H +ATOM 5920 O1 TIP3A1974 10.083 56.509 53.033 1.00 0.00 O +ATOM 5921 H1 TIP3A1974 10.217 55.795 53.655 1.00 0.00 H +ATOM 5922 H2 TIP3A1974 9.631 57.186 53.538 1.00 0.00 H +ATOM 5923 O1 TIP3A1975 7.527 49.027 32.703 1.00 0.00 O +ATOM 5924 H1 TIP3A1975 7.690 49.541 33.494 1.00 0.00 H +ATOM 5925 H2 TIP3A1975 8.275 48.431 32.646 1.00 0.00 H +ATOM 5926 O1 TIP3A1976 7.396 28.396 52.202 1.00 0.00 O +ATOM 5927 H1 TIP3A1976 6.950 27.636 51.829 1.00 0.00 H +ATOM 5928 H2 TIP3A1976 7.012 29.147 51.749 1.00 0.00 H +ATOM 5929 O1 TIP3A1977 41.508 34.784 25.112 1.00 0.00 O +ATOM 5930 H1 TIP3A1977 41.224 33.884 25.267 1.00 0.00 H +ATOM 5931 H2 TIP3A1977 42.315 34.872 25.620 1.00 0.00 H +ATOM 5932 O1 TIP3A1978 0.091 23.581 57.227 1.00 0.00 O +ATOM 5933 H1 TIP3A1978 0.529 22.731 57.181 1.00 0.00 H +ATOM 5934 H2 TIP3A1978 -0.000 23.853 56.313 1.00 0.00 H +ATOM 5935 O1 TIP3A1979 47.700 33.895 18.950 1.00 0.00 O +ATOM 5936 H1 TIP3A1979 47.130 34.180 19.663 1.00 0.00 H +ATOM 5937 H2 TIP3A1979 48.539 33.710 19.372 1.00 0.00 H +ATOM 5938 O1 TIP3A1980 13.964 41.768 36.895 1.00 0.00 O +ATOM 5939 H1 TIP3A1980 14.774 41.304 36.684 1.00 0.00 H +ATOM 5940 H2 TIP3A1980 13.307 41.377 36.319 1.00 0.00 H +ATOM 5941 O1 TIP3A1981 51.188 15.413 29.532 1.00 0.00 O +ATOM 5942 H1 TIP3A1981 51.478 15.910 28.768 1.00 0.00 H +ATOM 5943 H2 TIP3A1981 51.919 14.825 29.728 1.00 0.00 H +ATOM 5944 O1 TIP3A1982 43.311 45.639 34.743 1.00 0.00 O +ATOM 5945 H1 TIP3A1982 42.358 45.554 34.772 1.00 0.00 H +ATOM 5946 H2 TIP3A1982 43.599 45.409 35.626 1.00 0.00 H +ATOM 5947 O1 TIP3A1983 30.455 36.683 25.952 1.00 0.00 O +ATOM 5948 H1 TIP3A1983 29.571 36.470 25.655 1.00 0.00 H +ATOM 5949 H2 TIP3A1983 30.345 36.942 26.867 1.00 0.00 H +ATOM 5950 O1 TIP3A1984 2.303 3.146 47.911 1.00 0.00 O +ATOM 5951 H1 TIP3A1984 2.145 3.638 48.716 1.00 0.00 H +ATOM 5952 H2 TIP3A1984 3.177 2.772 48.026 1.00 0.00 H +ATOM 5953 O1 TIP3A1985 35.017 41.252 31.742 1.00 0.00 O +ATOM 5954 H1 TIP3A1985 34.102 40.988 31.835 1.00 0.00 H +ATOM 5955 H2 TIP3A1985 35.409 41.064 32.596 1.00 0.00 H +ATOM 5956 O1 TIP3A1986 56.595 52.210 0.430 1.00 0.00 O +ATOM 5957 H1 TIP3A1986 55.774 52.479 0.020 1.00 0.00 H +ATOM 5958 H2 TIP3A1986 56.831 51.396 -0.016 1.00 0.00 H +ATOM 5959 O1 TIP3A1987 37.460 24.361 14.766 1.00 0.00 O +ATOM 5960 H1 TIP3A1987 36.796 23.718 14.521 1.00 0.00 H +ATOM 5961 H2 TIP3A1987 37.163 24.703 15.610 1.00 0.00 H +ATOM 5962 O1 TIP3A1988 8.240 39.864 27.207 1.00 0.00 O +ATOM 5963 H1 TIP3A1988 8.939 39.221 27.097 1.00 0.00 H +ATOM 5964 H2 TIP3A1988 8.697 40.689 27.373 1.00 0.00 H +ATOM 5965 O1 TIP3A1989 14.198 38.215 14.214 1.00 0.00 O +ATOM 5966 H1 TIP3A1989 13.418 38.764 14.279 1.00 0.00 H +ATOM 5967 H2 TIP3A1989 14.195 37.899 13.310 1.00 0.00 H +ATOM 5968 O1 TIP3A1990 6.607 37.247 13.243 1.00 0.00 O +ATOM 5969 H1 TIP3A1990 6.598 37.126 14.192 1.00 0.00 H +ATOM 5970 H2 TIP3A1990 6.223 38.114 13.107 1.00 0.00 H +ATOM 5971 O1 TIP3A1991 1.156 40.947 16.604 1.00 0.00 O +ATOM 5972 H1 TIP3A1991 1.856 40.387 16.270 1.00 0.00 H +ATOM 5973 H2 TIP3A1991 0.800 41.376 15.825 1.00 0.00 H +ATOM 5974 O1 TIP3A1992 41.599 33.539 39.461 1.00 0.00 O +ATOM 5975 H1 TIP3A1992 41.739 34.433 39.151 1.00 0.00 H +ATOM 5976 H2 TIP3A1992 42.267 33.411 40.135 1.00 0.00 H +ATOM 5977 O1 TIP3A1993 26.339 29.657 15.472 1.00 0.00 O +ATOM 5978 H1 TIP3A1993 26.218 29.707 16.419 1.00 0.00 H +ATOM 5979 H2 TIP3A1993 27.080 30.237 15.293 1.00 0.00 H +ATOM 5980 O1 TIP3A1994 0.068 29.385 17.492 1.00 0.00 O +ATOM 5981 H1 TIP3A1994 0.794 29.954 17.241 1.00 0.00 H +ATOM 5982 H2 TIP3A1994 0.384 28.499 17.313 1.00 0.00 H +ATOM 5983 O1 TIP3A1995 22.153 22.023 6.627 1.00 0.00 O +ATOM 5984 H1 TIP3A1995 21.852 21.116 6.680 1.00 0.00 H +ATOM 5985 H2 TIP3A1995 21.700 22.382 5.863 1.00 0.00 H +ATOM 5986 O1 TIP3A1996 52.515 32.478 54.754 1.00 0.00 O +ATOM 5987 H1 TIP3A1996 51.579 32.282 54.758 1.00 0.00 H +ATOM 5988 H2 TIP3A1996 52.939 31.623 54.835 1.00 0.00 H +ATOM 5989 O1 TIP3A1997 28.904 41.530 49.616 1.00 0.00 O +ATOM 5990 H1 TIP3A1997 28.693 42.458 49.712 1.00 0.00 H +ATOM 5991 H2 TIP3A1997 29.168 41.437 48.700 1.00 0.00 H +ATOM 5992 O1 TIP3A1998 35.815 22.633 31.210 1.00 0.00 O +ATOM 5993 H1 TIP3A1998 36.568 22.941 31.713 1.00 0.00 H +ATOM 5994 H2 TIP3A1998 35.769 21.695 31.395 1.00 0.00 H +ATOM 5995 O1 TIP3A1999 36.104 54.827 54.588 1.00 0.00 O +ATOM 5996 H1 TIP3A1999 36.111 55.770 54.429 1.00 0.00 H +ATOM 5997 H2 TIP3A1999 35.189 54.570 54.472 1.00 0.00 H +ATOM 5998 O1 TIP3A2000 32.526 21.160 25.150 1.00 0.00 O +ATOM 5999 H1 TIP3A2000 32.866 21.624 25.914 1.00 0.00 H +ATOM 6000 H2 TIP3A2000 31.597 21.028 25.342 1.00 0.00 H +ATOM 6001 O1 TIP3A2001 55.486 35.096 52.326 1.00 0.00 O +ATOM 6002 H1 TIP3A2001 55.477 35.242 51.381 1.00 0.00 H +ATOM 6003 H2 TIP3A2001 54.566 34.965 52.558 1.00 0.00 H +ATOM 6004 O1 TIP3A2002 18.867 43.060 55.067 1.00 0.00 O +ATOM 6005 H1 TIP3A2002 18.017 42.849 55.452 1.00 0.00 H +ATOM 6006 H2 TIP3A2002 18.908 42.531 54.270 1.00 0.00 H +ATOM 6007 O1 TIP3A2003 29.631 10.368 50.305 1.00 0.00 O +ATOM 6008 H1 TIP3A2003 28.762 10.344 50.703 1.00 0.00 H +ATOM 6009 H2 TIP3A2003 29.808 11.299 50.170 1.00 0.00 H +ATOM 6010 O1 TIP3A2004 56.515 16.614 35.470 1.00 0.00 O +ATOM 6011 H1 TIP3A2004 56.459 16.454 34.529 1.00 0.00 H +ATOM 6012 H2 TIP3A2004 55.974 15.929 35.863 1.00 0.00 H +ATOM 6013 O1 TIP3A2005 57.548 54.303 15.772 1.00 0.00 O +ATOM 6014 H1 TIP3A2005 57.088 53.719 16.374 1.00 0.00 H +ATOM 6015 H2 TIP3A2005 57.339 55.183 16.086 1.00 0.00 H +ATOM 6016 O1 TIP3A2006 28.524 46.870 35.739 1.00 0.00 O +ATOM 6017 H1 TIP3A2006 28.051 46.532 34.980 1.00 0.00 H +ATOM 6018 H2 TIP3A2006 27.862 47.342 36.245 1.00 0.00 H +ATOM 6019 O1 TIP3A2007 17.511 18.470 33.117 1.00 0.00 O +ATOM 6020 H1 TIP3A2007 16.972 17.936 32.535 1.00 0.00 H +ATOM 6021 H2 TIP3A2007 17.465 18.024 33.964 1.00 0.00 H +ATOM 6022 O1 TIP3A2008 38.706 44.416 18.904 1.00 0.00 O +ATOM 6023 H1 TIP3A2008 38.826 43.880 19.688 1.00 0.00 H +ATOM 6024 H2 TIP3A2008 38.975 43.849 18.181 1.00 0.00 H +ATOM 6025 O1 TIP3A2009 45.809 56.709 54.974 1.00 0.00 O +ATOM 6026 H1 TIP3A2009 46.292 57.534 54.984 1.00 0.00 H +ATOM 6027 H2 TIP3A2009 45.126 56.822 55.636 1.00 0.00 H +ATOM 6028 O1 TIP3A2010 46.613 2.628 12.207 1.00 0.00 O +ATOM 6029 H1 TIP3A2010 45.979 3.343 12.159 1.00 0.00 H +ATOM 6030 H2 TIP3A2010 46.095 1.837 12.053 1.00 0.00 H +ATOM 6031 O1 TIP3A2011 55.049 2.850 8.872 1.00 0.00 O +ATOM 6032 H1 TIP3A2011 55.056 1.897 8.792 1.00 0.00 H +ATOM 6033 H2 TIP3A2011 55.646 3.034 9.598 1.00 0.00 H +ATOM 6034 O1 TIP3A2012 24.286 54.160 31.909 1.00 0.00 O +ATOM 6035 H1 TIP3A2012 23.585 53.599 32.238 1.00 0.00 H +ATOM 6036 H2 TIP3A2012 24.201 54.970 32.413 1.00 0.00 H +ATOM 6037 O1 TIP3A2013 35.009 53.265 24.920 1.00 0.00 O +ATOM 6038 H1 TIP3A2013 35.835 52.785 24.976 1.00 0.00 H +ATOM 6039 H2 TIP3A2013 35.257 54.183 25.036 1.00 0.00 H +ATOM 6040 O1 TIP3A2014 22.682 44.992 13.906 1.00 0.00 O +ATOM 6041 H1 TIP3A2014 23.526 45.310 14.227 1.00 0.00 H +ATOM 6042 H2 TIP3A2014 22.449 45.599 13.203 1.00 0.00 H +ATOM 6043 O1 TIP3A2015 29.199 7.676 41.855 1.00 0.00 O +ATOM 6044 H1 TIP3A2015 29.141 6.722 41.810 1.00 0.00 H +ATOM 6045 H2 TIP3A2015 28.669 7.984 41.119 1.00 0.00 H +ATOM 6046 O1 TIP3A2016 28.078 55.533 0.343 1.00 0.00 O +ATOM 6047 H1 TIP3A2016 27.815 55.711 1.245 1.00 0.00 H +ATOM 6048 H2 TIP3A2016 28.892 55.035 0.424 1.00 0.00 H +ATOM 6049 O1 TIP3A2017 44.181 26.501 6.993 1.00 0.00 O +ATOM 6050 H1 TIP3A2017 45.011 26.975 6.965 1.00 0.00 H +ATOM 6051 H2 TIP3A2017 44.383 25.691 7.462 1.00 0.00 H +ATOM 6052 O1 TIP3A2018 37.914 31.967 17.302 1.00 0.00 O +ATOM 6053 H1 TIP3A2018 38.003 32.582 16.575 1.00 0.00 H +ATOM 6054 H2 TIP3A2018 38.633 31.346 17.181 1.00 0.00 H +ATOM 6055 O1 TIP3A2019 8.381 53.787 27.804 1.00 0.00 O +ATOM 6056 H1 TIP3A2019 9.085 53.225 27.483 1.00 0.00 H +ATOM 6057 H2 TIP3A2019 7.718 53.759 27.113 1.00 0.00 H +ATOM 6058 O1 TIP3A2020 15.784 10.577 4.948 1.00 0.00 O +ATOM 6059 H1 TIP3A2020 14.918 10.252 4.704 1.00 0.00 H +ATOM 6060 H2 TIP3A2020 16.178 9.860 5.445 1.00 0.00 H +ATOM 6061 O1 TIP3A2021 22.986 18.978 3.891 1.00 0.00 O +ATOM 6062 H1 TIP3A2021 23.489 19.286 4.644 1.00 0.00 H +ATOM 6063 H2 TIP3A2021 23.647 18.667 3.272 1.00 0.00 H +ATOM 6064 O1 TIP3A2022 26.727 7.763 31.339 1.00 0.00 O +ATOM 6065 H1 TIP3A2022 25.782 7.906 31.375 1.00 0.00 H +ATOM 6066 H2 TIP3A2022 26.891 7.075 31.985 1.00 0.00 H +ATOM 6067 O1 TIP3A2023 43.406 49.758 25.831 1.00 0.00 O +ATOM 6068 H1 TIP3A2023 43.107 49.337 26.636 1.00 0.00 H +ATOM 6069 H2 TIP3A2023 42.601 50.013 25.380 1.00 0.00 H +ATOM 6070 O1 TIP3A2024 7.117 22.760 4.595 1.00 0.00 O +ATOM 6071 H1 TIP3A2024 7.005 23.656 4.909 1.00 0.00 H +ATOM 6072 H2 TIP3A2024 6.615 22.726 3.780 1.00 0.00 H +ATOM 6073 O1 TIP3A2025 51.592 2.056 46.902 1.00 0.00 O +ATOM 6074 H1 TIP3A2025 52.197 2.218 47.625 1.00 0.00 H +ATOM 6075 H2 TIP3A2025 51.598 1.104 46.793 1.00 0.00 H +ATOM 6076 O1 TIP3A2026 46.687 -0.001 42.274 1.00 0.00 O +ATOM 6077 H1 TIP3A2026 47.108 0.851 42.164 1.00 0.00 H +ATOM 6078 H2 TIP3A2026 45.819 0.204 42.625 1.00 0.00 H +ATOM 6079 O1 TIP3A2027 52.855 15.761 15.023 1.00 0.00 O +ATOM 6080 H1 TIP3A2027 52.434 14.911 14.893 1.00 0.00 H +ATOM 6081 H2 TIP3A2027 53.744 15.547 15.309 1.00 0.00 H +ATOM 6082 O1 TIP3A2028 3.380 19.824 39.546 1.00 0.00 O +ATOM 6083 H1 TIP3A2028 4.156 20.260 39.196 1.00 0.00 H +ATOM 6084 H2 TIP3A2028 3.073 20.403 40.244 1.00 0.00 H +ATOM 6085 O1 TIP3A2029 6.519 54.599 16.068 1.00 0.00 O +ATOM 6086 H1 TIP3A2029 6.745 55.525 16.145 1.00 0.00 H +ATOM 6087 H2 TIP3A2029 5.676 54.594 15.614 1.00 0.00 H +ATOM 6088 O1 TIP3A2030 10.186 53.314 18.274 1.00 0.00 O +ATOM 6089 H1 TIP3A2030 9.527 53.837 17.819 1.00 0.00 H +ATOM 6090 H2 TIP3A2030 10.948 53.330 17.695 1.00 0.00 H +ATOM 6091 O1 TIP3A2031 40.019 8.817 23.087 1.00 0.00 O +ATOM 6092 H1 TIP3A2031 39.591 9.666 23.195 1.00 0.00 H +ATOM 6093 H2 TIP3A2031 39.760 8.528 22.211 1.00 0.00 H +ATOM 6094 O1 TIP3A2032 32.687 47.478 31.830 1.00 0.00 O +ATOM 6095 H1 TIP3A2032 32.399 48.349 31.559 1.00 0.00 H +ATOM 6096 H2 TIP3A2032 32.065 46.880 31.415 1.00 0.00 H +ATOM 6097 O1 TIP3A2033 23.574 21.906 55.030 1.00 0.00 O +ATOM 6098 H1 TIP3A2033 23.924 21.016 55.029 1.00 0.00 H +ATOM 6099 H2 TIP3A2033 23.131 21.989 55.875 1.00 0.00 H +ATOM 6100 O1 TIP3A2034 54.291 28.887 43.819 1.00 0.00 O +ATOM 6101 H1 TIP3A2034 54.059 28.515 44.669 1.00 0.00 H +ATOM 6102 H2 TIP3A2034 55.212 28.654 43.698 1.00 0.00 H +ATOM 6103 O1 TIP3A2035 15.100 49.434 27.896 1.00 0.00 O +ATOM 6104 H1 TIP3A2035 14.761 49.341 28.785 1.00 0.00 H +ATOM 6105 H2 TIP3A2035 14.526 50.083 27.487 1.00 0.00 H +ATOM 6106 O1 TIP3A2036 14.734 44.768 17.336 1.00 0.00 O +ATOM 6107 H1 TIP3A2036 13.945 45.081 16.894 1.00 0.00 H +ATOM 6108 H2 TIP3A2036 14.721 43.819 17.206 1.00 0.00 H +ATOM 6109 O1 TIP3A2037 1.421 40.166 8.986 1.00 0.00 O +ATOM 6110 H1 TIP3A2037 1.748 39.760 9.788 1.00 0.00 H +ATOM 6111 H2 TIP3A2037 1.623 41.097 9.088 1.00 0.00 H +ATOM 6112 O1 TIP3A2038 50.647 23.943 17.828 1.00 0.00 O +ATOM 6113 H1 TIP3A2038 50.422 24.513 18.562 1.00 0.00 H +ATOM 6114 H2 TIP3A2038 49.843 23.455 17.648 1.00 0.00 H +ATOM 6115 O1 TIP3A2039 19.997 54.585 40.596 1.00 0.00 O +ATOM 6116 H1 TIP3A2039 20.773 54.043 40.457 1.00 0.00 H +ATOM 6117 H2 TIP3A2039 19.462 54.085 41.213 1.00 0.00 H +ATOM 6118 O1 TIP3A2040 50.846 48.844 35.145 1.00 0.00 O +ATOM 6119 H1 TIP3A2040 50.661 49.509 34.482 1.00 0.00 H +ATOM 6120 H2 TIP3A2040 51.709 49.080 35.487 1.00 0.00 H +ATOM 6121 O1 TIP3A2041 1.031 7.808 2.748 1.00 0.00 O +ATOM 6122 H1 TIP3A2041 0.915 7.400 1.891 1.00 0.00 H +ATOM 6123 H2 TIP3A2041 0.177 8.193 2.950 1.00 0.00 H +ATOM 6124 O1 TIP3A2042 23.067 4.063 6.158 1.00 0.00 O +ATOM 6125 H1 TIP3A2042 22.770 4.454 6.979 1.00 0.00 H +ATOM 6126 H2 TIP3A2042 23.820 4.595 5.897 1.00 0.00 H +ATOM 6127 O1 TIP3A2043 30.633 25.139 39.920 1.00 0.00 O +ATOM 6128 H1 TIP3A2043 30.295 25.805 39.322 1.00 0.00 H +ATOM 6129 H2 TIP3A2043 31.334 24.709 39.429 1.00 0.00 H +ATOM 6130 O1 TIP3A2044 16.617 49.951 23.052 1.00 0.00 O +ATOM 6131 H1 TIP3A2044 15.872 49.657 22.530 1.00 0.00 H +ATOM 6132 H2 TIP3A2044 16.349 50.804 23.395 1.00 0.00 H +ATOM 6133 O1 TIP3A2045 27.561 34.571 13.070 1.00 0.00 O +ATOM 6134 H1 TIP3A2045 27.927 34.544 13.953 1.00 0.00 H +ATOM 6135 H2 TIP3A2045 28.312 34.422 12.494 1.00 0.00 H +ATOM 6136 O1 TIP3A2046 29.229 52.025 2.550 1.00 0.00 O +ATOM 6137 H1 TIP3A2046 29.432 51.325 3.169 1.00 0.00 H +ATOM 6138 H2 TIP3A2046 28.481 52.480 2.939 1.00 0.00 H +ATOM 6139 O1 TIP3A2047 54.201 24.565 12.538 1.00 0.00 O +ATOM 6140 H1 TIP3A2047 55.036 24.110 12.433 1.00 0.00 H +ATOM 6141 H2 TIP3A2047 54.323 25.398 12.082 1.00 0.00 H +ATOM 6142 O1 TIP3A2048 3.256 8.779 41.654 1.00 0.00 O +ATOM 6143 H1 TIP3A2048 2.535 8.402 42.156 1.00 0.00 H +ATOM 6144 H2 TIP3A2048 3.416 9.630 42.064 1.00 0.00 H +ATOM 6145 O1 TIP3A2049 19.565 30.784 8.622 1.00 0.00 O +ATOM 6146 H1 TIP3A2049 18.963 30.831 7.881 1.00 0.00 H +ATOM 6147 H2 TIP3A2049 20.264 31.402 8.404 1.00 0.00 H +ATOM 6148 O1 TIP3A2050 44.262 20.043 53.249 1.00 0.00 O +ATOM 6149 H1 TIP3A2050 44.655 20.707 53.814 1.00 0.00 H +ATOM 6150 H2 TIP3A2050 44.973 19.426 53.073 1.00 0.00 H +ATOM 6151 O1 TIP3A2051 30.127 38.054 8.929 1.00 0.00 O +ATOM 6152 H1 TIP3A2051 30.332 38.987 8.984 1.00 0.00 H +ATOM 6153 H2 TIP3A2051 29.563 37.977 8.159 1.00 0.00 H +ATOM 6154 O1 TIP3A2052 41.925 7.888 23.701 1.00 0.00 O +ATOM 6155 H1 TIP3A2052 42.190 8.787 23.512 1.00 0.00 H +ATOM 6156 H2 TIP3A2052 42.729 7.376 23.608 1.00 0.00 H +ATOM 6157 O1 TIP3A2053 46.041 38.071 26.056 1.00 0.00 O +ATOM 6158 H1 TIP3A2053 46.909 38.441 26.217 1.00 0.00 H +ATOM 6159 H2 TIP3A2053 45.667 37.951 26.929 1.00 0.00 H +ATOM 6160 O1 TIP3A2054 4.659 11.655 50.112 1.00 0.00 O +ATOM 6161 H1 TIP3A2054 5.198 11.407 49.362 1.00 0.00 H +ATOM 6162 H2 TIP3A2054 3.807 11.254 49.939 1.00 0.00 H +ATOM 6163 O1 TIP3A2055 28.302 52.569 9.862 1.00 0.00 O +ATOM 6164 H1 TIP3A2055 27.634 51.884 9.862 1.00 0.00 H +ATOM 6165 H2 TIP3A2055 27.926 53.271 9.330 1.00 0.00 H +ATOM 6166 O1 TIP3A2056 40.834 6.728 0.020 1.00 0.00 O +ATOM 6167 H1 TIP3A2056 40.644 7.651 0.187 1.00 0.00 H +ATOM 6168 H2 TIP3A2056 39.974 6.309 -0.020 1.00 0.00 H +ATOM 6169 O1 TIP3A2057 27.050 4.627 10.245 1.00 0.00 O +ATOM 6170 H1 TIP3A2057 26.138 4.906 10.319 1.00 0.00 H +ATOM 6171 H2 TIP3A2057 27.433 4.826 11.100 1.00 0.00 H +ATOM 6172 O1 TIP3A2058 1.972 15.543 22.259 1.00 0.00 O +ATOM 6173 H1 TIP3A2058 1.101 15.175 22.112 1.00 0.00 H +ATOM 6174 H2 TIP3A2058 1.806 16.439 22.555 1.00 0.00 H +ATOM 6175 O1 TIP3A2059 25.263 13.566 54.971 1.00 0.00 O +ATOM 6176 H1 TIP3A2059 24.631 13.996 55.546 1.00 0.00 H +ATOM 6177 H2 TIP3A2059 25.973 13.296 55.554 1.00 0.00 H +ATOM 6178 O1 TIP3A2060 20.051 36.618 52.418 1.00 0.00 O +ATOM 6179 H1 TIP3A2060 20.256 37.494 52.743 1.00 0.00 H +ATOM 6180 H2 TIP3A2060 19.352 36.306 52.994 1.00 0.00 H +ATOM 6181 O1 TIP3A2061 44.012 0.216 24.859 1.00 0.00 O +ATOM 6182 H1 TIP3A2061 43.572 -0.002 25.680 1.00 0.00 H +ATOM 6183 H2 TIP3A2061 44.035 1.173 24.846 1.00 0.00 H +ATOM 6184 O1 TIP3A2062 55.083 35.284 21.541 1.00 0.00 O +ATOM 6185 H1 TIP3A2062 54.532 36.059 21.438 1.00 0.00 H +ATOM 6186 H2 TIP3A2062 54.827 34.917 22.388 1.00 0.00 H +ATOM 6187 O1 TIP3A2063 55.113 52.050 50.181 1.00 0.00 O +ATOM 6188 H1 TIP3A2063 55.442 52.470 50.975 1.00 0.00 H +ATOM 6189 H2 TIP3A2063 54.163 52.027 50.296 1.00 0.00 H +ATOM 6190 O1 TIP3A2064 10.805 4.953 46.321 1.00 0.00 O +ATOM 6191 H1 TIP3A2064 10.816 4.315 47.034 1.00 0.00 H +ATOM 6192 H2 TIP3A2064 11.627 4.804 45.853 1.00 0.00 H +ATOM 6193 O1 TIP3A2065 8.031 42.016 21.766 1.00 0.00 O +ATOM 6194 H1 TIP3A2065 7.179 41.799 22.144 1.00 0.00 H +ATOM 6195 H2 TIP3A2065 8.361 41.185 21.424 1.00 0.00 H +ATOM 6196 O1 TIP3A2066 31.448 39.821 16.596 1.00 0.00 O +ATOM 6197 H1 TIP3A2066 32.163 40.359 16.933 1.00 0.00 H +ATOM 6198 H2 TIP3A2066 30.656 40.219 16.958 1.00 0.00 H +ATOM 6199 O1 TIP3A2067 46.578 21.482 51.856 1.00 0.00 O +ATOM 6200 H1 TIP3A2067 46.779 20.723 52.402 1.00 0.00 H +ATOM 6201 H2 TIP3A2067 46.501 22.210 52.474 1.00 0.00 H +ATOM 6202 O1 TIP3A2068 47.356 43.417 41.824 1.00 0.00 O +ATOM 6203 H1 TIP3A2068 47.172 43.061 40.955 1.00 0.00 H +ATOM 6204 H2 TIP3A2068 46.888 42.837 42.425 1.00 0.00 H +ATOM 6205 O1 TIP3A2069 36.020 43.818 33.346 1.00 0.00 O +ATOM 6206 H1 TIP3A2069 35.125 43.481 33.371 1.00 0.00 H +ATOM 6207 H2 TIP3A2069 36.564 43.078 33.614 1.00 0.00 H +ATOM 6208 O1 TIP3A2070 46.308 45.182 14.515 1.00 0.00 O +ATOM 6209 H1 TIP3A2070 45.796 45.990 14.545 1.00 0.00 H +ATOM 6210 H2 TIP3A2070 47.217 45.476 14.449 1.00 0.00 H +ATOM 6211 O1 TIP3A2071 42.616 51.072 4.128 1.00 0.00 O +ATOM 6212 H1 TIP3A2071 42.019 50.326 4.183 1.00 0.00 H +ATOM 6213 H2 TIP3A2071 43.047 51.098 4.982 1.00 0.00 H +ATOM 6214 O1 TIP3A2072 25.813 6.866 54.938 1.00 0.00 O +ATOM 6215 H1 TIP3A2072 26.174 6.024 55.212 1.00 0.00 H +ATOM 6216 H2 TIP3A2072 25.060 7.004 55.514 1.00 0.00 H +ATOM 6217 O1 TIP3A2073 57.604 28.045 48.210 1.00 0.00 O +ATOM 6218 H1 TIP3A2073 56.910 27.389 48.158 1.00 0.00 H +ATOM 6219 H2 TIP3A2073 57.473 28.595 47.437 1.00 0.00 H +ATOM 6220 O1 TIP3A2074 14.900 7.936 5.145 1.00 0.00 O +ATOM 6221 H1 TIP3A2074 13.986 7.653 5.143 1.00 0.00 H +ATOM 6222 H2 TIP3A2074 15.322 7.379 5.800 1.00 0.00 H +ATOM 6223 O1 TIP3A2075 7.659 18.105 38.474 1.00 0.00 O +ATOM 6224 H1 TIP3A2075 8.201 18.656 39.037 1.00 0.00 H +ATOM 6225 H2 TIP3A2075 8.182 17.315 38.334 1.00 0.00 H +ATOM 6226 O1 TIP3A2076 42.310 48.129 32.532 1.00 0.00 O +ATOM 6227 H1 TIP3A2076 43.194 47.764 32.502 1.00 0.00 H +ATOM 6228 H2 TIP3A2076 41.811 47.601 31.909 1.00 0.00 H +ATOM 6229 O1 TIP3A2077 49.349 39.996 56.353 1.00 0.00 O +ATOM 6230 H1 TIP3A2077 50.294 40.012 56.208 1.00 0.00 H +ATOM 6231 H2 TIP3A2077 49.021 40.768 55.890 1.00 0.00 H +ATOM 6232 O1 TIP3A2078 35.927 46.484 21.710 1.00 0.00 O +ATOM 6233 H1 TIP3A2078 36.088 45.563 21.909 1.00 0.00 H +ATOM 6234 H2 TIP3A2078 36.700 46.941 22.044 1.00 0.00 H +ATOM 6235 O1 TIP3A2079 39.591 10.009 44.805 1.00 0.00 O +ATOM 6236 H1 TIP3A2079 39.090 9.834 45.601 1.00 0.00 H +ATOM 6237 H2 TIP3A2079 40.313 10.569 45.094 1.00 0.00 H +ATOM 6238 O1 TIP3A2080 23.808 18.228 36.935 1.00 0.00 O +ATOM 6239 H1 TIP3A2080 24.241 19.080 36.909 1.00 0.00 H +ATOM 6240 H2 TIP3A2080 24.339 17.671 36.365 1.00 0.00 H +ATOM 6241 O1 TIP3A2081 6.144 47.651 54.790 1.00 0.00 O +ATOM 6242 H1 TIP3A2081 5.823 47.009 54.158 1.00 0.00 H +ATOM 6243 H2 TIP3A2081 7.017 47.886 54.472 1.00 0.00 H +ATOM 6244 O1 TIP3A2082 44.838 56.058 32.874 1.00 0.00 O +ATOM 6245 H1 TIP3A2082 45.773 56.261 32.883 1.00 0.00 H +ATOM 6246 H2 TIP3A2082 44.745 55.383 32.201 1.00 0.00 H +ATOM 6247 O1 TIP3A2083 43.833 42.929 37.848 1.00 0.00 O +ATOM 6248 H1 TIP3A2083 44.590 42.698 37.312 1.00 0.00 H +ATOM 6249 H2 TIP3A2083 43.334 42.115 37.924 1.00 0.00 H +ATOM 6250 O1 TIP3A2084 6.050 16.533 34.478 1.00 0.00 O +ATOM 6251 H1 TIP3A2084 6.049 16.585 33.523 1.00 0.00 H +ATOM 6252 H2 TIP3A2084 5.500 15.775 34.678 1.00 0.00 H +ATOM 6253 O1 TIP3A2085 14.765 14.650 42.333 1.00 0.00 O +ATOM 6254 H1 TIP3A2085 13.864 14.549 42.027 1.00 0.00 H +ATOM 6255 H2 TIP3A2085 15.266 14.855 41.542 1.00 0.00 H +ATOM 6256 O1 TIP3A2086 36.149 13.492 19.431 1.00 0.00 O +ATOM 6257 H1 TIP3A2086 36.148 14.372 19.805 1.00 0.00 H +ATOM 6258 H2 TIP3A2086 36.889 13.052 19.851 1.00 0.00 H +ATOM 6259 O1 TIP3A2087 19.141 31.949 57.227 1.00 0.00 O +ATOM 6260 H1 TIP3A2087 18.344 31.968 56.700 1.00 0.00 H +ATOM 6261 H2 TIP3A2087 18.933 32.479 57.997 1.00 0.00 H +ATOM 6262 O1 TIP3A2088 5.602 53.646 46.635 1.00 0.00 O +ATOM 6263 H1 TIP3A2088 5.336 52.748 46.828 1.00 0.00 H +ATOM 6264 H2 TIP3A2088 6.556 53.637 46.720 1.00 0.00 H +ATOM 6265 O1 TIP3A2089 16.128 10.776 26.334 1.00 0.00 O +ATOM 6266 H1 TIP3A2089 15.714 10.687 25.476 1.00 0.00 H +ATOM 6267 H2 TIP3A2089 16.476 9.904 26.524 1.00 0.00 H +ATOM 6268 O1 TIP3A2090 6.697 46.816 25.805 1.00 0.00 O +ATOM 6269 H1 TIP3A2090 5.855 46.705 26.246 1.00 0.00 H +ATOM 6270 H2 TIP3A2090 7.248 46.118 26.160 1.00 0.00 H +ATOM 6271 O1 TIP3A2091 24.961 47.582 53.602 1.00 0.00 O +ATOM 6272 H1 TIP3A2091 24.711 46.722 53.938 1.00 0.00 H +ATOM 6273 H2 TIP3A2091 25.709 47.842 54.140 1.00 0.00 H +ATOM 6274 O1 TIP3A2092 56.588 19.920 7.780 1.00 0.00 O +ATOM 6275 H1 TIP3A2092 55.632 19.887 7.746 1.00 0.00 H +ATOM 6276 H2 TIP3A2092 56.873 19.371 7.049 1.00 0.00 H +ATOM 6277 O1 TIP3A2093 47.160 29.192 31.810 1.00 0.00 O +ATOM 6278 H1 TIP3A2093 48.055 29.011 31.527 1.00 0.00 H +ATOM 6279 H2 TIP3A2093 47.226 30.008 32.307 1.00 0.00 H +ATOM 6280 O1 TIP3A2094 44.611 23.641 36.773 1.00 0.00 O +ATOM 6281 H1 TIP3A2094 44.392 24.528 37.056 1.00 0.00 H +ATOM 6282 H2 TIP3A2094 45.080 23.762 35.947 1.00 0.00 H +ATOM 6283 O1 TIP3A2095 57.451 38.976 24.317 1.00 0.00 O +ATOM 6284 H1 TIP3A2095 57.418 39.856 24.689 1.00 0.00 H +ATOM 6285 H2 TIP3A2095 58.000 38.479 24.924 1.00 0.00 H +ATOM 6286 O1 TIP3A2096 12.178 15.518 34.789 1.00 0.00 O +ATOM 6287 H1 TIP3A2096 12.546 14.637 34.848 1.00 0.00 H +ATOM 6288 H2 TIP3A2096 11.230 15.383 34.794 1.00 0.00 H +ATOM 6289 O1 TIP3A2097 22.446 19.419 47.315 1.00 0.00 O +ATOM 6290 H1 TIP3A2097 21.709 18.819 47.208 1.00 0.00 H +ATOM 6291 H2 TIP3A2097 22.633 19.404 48.254 1.00 0.00 H +ATOM 6292 O1 TIP3A2098 48.807 32.760 31.440 1.00 0.00 O +ATOM 6293 H1 TIP3A2098 47.942 33.040 31.141 1.00 0.00 H +ATOM 6294 H2 TIP3A2098 48.788 31.805 31.370 1.00 0.00 H +ATOM 6295 O1 TIP3A2099 42.440 18.489 46.199 1.00 0.00 O +ATOM 6296 H1 TIP3A2099 43.095 17.851 45.917 1.00 0.00 H +ATOM 6297 H2 TIP3A2099 41.736 18.411 45.554 1.00 0.00 H +ATOM 6298 O1 TIP3A2100 11.452 45.418 55.961 1.00 0.00 O +ATOM 6299 H1 TIP3A2100 11.621 45.281 55.030 1.00 0.00 H +ATOM 6300 H2 TIP3A2100 11.639 46.346 56.105 1.00 0.00 H +ATOM 6301 O1 TIP3A2101 22.853 47.546 36.912 1.00 0.00 O +ATOM 6302 H1 TIP3A2101 22.492 46.661 36.867 1.00 0.00 H +ATOM 6303 H2 TIP3A2101 23.461 47.520 37.651 1.00 0.00 H +ATOM 6304 O1 TIP3A2102 39.411 32.960 46.641 1.00 0.00 O +ATOM 6305 H1 TIP3A2102 39.640 32.385 47.370 1.00 0.00 H +ATOM 6306 H2 TIP3A2102 38.781 33.579 47.012 1.00 0.00 H +ATOM 6307 O1 TIP3A2103 56.508 21.412 10.803 1.00 0.00 O +ATOM 6308 H1 TIP3A2103 57.384 21.544 10.444 1.00 0.00 H +ATOM 6309 H2 TIP3A2103 55.960 22.046 10.339 1.00 0.00 H +ATOM 6310 O1 TIP3A2104 48.614 22.821 21.721 1.00 0.00 O +ATOM 6311 H1 TIP3A2104 48.691 22.104 21.092 1.00 0.00 H +ATOM 6312 H2 TIP3A2104 49.514 23.120 21.855 1.00 0.00 H +ATOM 6313 O1 TIP3A2105 37.234 51.520 48.427 1.00 0.00 O +ATOM 6314 H1 TIP3A2105 36.401 51.973 48.300 1.00 0.00 H +ATOM 6315 H2 TIP3A2105 37.150 51.100 49.284 1.00 0.00 H +ATOM 6316 O1 TIP3A2106 26.453 43.880 40.855 1.00 0.00 O +ATOM 6317 H1 TIP3A2106 27.224 43.346 40.670 1.00 0.00 H +ATOM 6318 H2 TIP3A2106 25.738 43.439 40.395 1.00 0.00 H +ATOM 6319 O1 TIP3A2107 31.965 11.747 55.846 1.00 0.00 O +ATOM 6320 H1 TIP3A2107 32.632 11.082 56.016 1.00 0.00 H +ATOM 6321 H2 TIP3A2107 31.848 11.732 54.895 1.00 0.00 H +ATOM 6322 O1 TIP3A2108 42.853 39.408 1.966 1.00 0.00 O +ATOM 6323 H1 TIP3A2108 42.314 39.559 2.742 1.00 0.00 H +ATOM 6324 H2 TIP3A2108 43.207 40.271 1.749 1.00 0.00 H +ATOM 6325 O1 TIP3A2109 34.640 7.107 23.658 1.00 0.00 O +ATOM 6326 H1 TIP3A2109 35.429 7.644 23.595 1.00 0.00 H +ATOM 6327 H2 TIP3A2109 34.733 6.460 22.957 1.00 0.00 H +ATOM 6328 O1 TIP3A2110 15.866 9.967 40.360 1.00 0.00 O +ATOM 6329 H1 TIP3A2110 16.490 9.249 40.256 1.00 0.00 H +ATOM 6330 H2 TIP3A2110 15.440 10.041 39.506 1.00 0.00 H +ATOM 6331 O1 TIP3A2111 12.265 48.519 6.055 1.00 0.00 O +ATOM 6332 H1 TIP3A2111 12.981 48.979 5.617 1.00 0.00 H +ATOM 6333 H2 TIP3A2111 11.788 49.207 6.520 1.00 0.00 H +ATOM 6334 O1 TIP3A2112 3.446 30.308 11.994 1.00 0.00 O +ATOM 6335 H1 TIP3A2112 3.115 31.159 11.707 1.00 0.00 H +ATOM 6336 H2 TIP3A2112 3.449 30.362 12.950 1.00 0.00 H +ATOM 6337 O1 TIP3A2113 29.300 28.946 11.740 1.00 0.00 O +ATOM 6338 H1 TIP3A2113 29.763 29.560 12.308 1.00 0.00 H +ATOM 6339 H2 TIP3A2113 29.144 28.179 12.292 1.00 0.00 H +ATOM 6340 O1 TIP3A2114 47.584 11.631 35.725 1.00 0.00 O +ATOM 6341 H1 TIP3A2114 46.706 11.611 35.344 1.00 0.00 H +ATOM 6342 H2 TIP3A2114 48.159 11.848 34.990 1.00 0.00 H +ATOM 6343 O1 TIP3A2115 41.722 20.642 42.657 1.00 0.00 O +ATOM 6344 H1 TIP3A2115 42.398 19.983 42.509 1.00 0.00 H +ATOM 6345 H2 TIP3A2115 42.028 21.133 43.420 1.00 0.00 H +ATOM 6346 O1 TIP3A2116 11.732 2.356 8.161 1.00 0.00 O +ATOM 6347 H1 TIP3A2116 12.292 2.041 7.452 1.00 0.00 H +ATOM 6348 H2 TIP3A2116 11.178 1.606 8.380 1.00 0.00 H +ATOM 6349 O1 TIP3A2117 17.491 39.510 33.367 1.00 0.00 O +ATOM 6350 H1 TIP3A2117 18.190 40.114 33.120 1.00 0.00 H +ATOM 6351 H2 TIP3A2117 17.770 39.152 34.211 1.00 0.00 H +ATOM 6352 O1 TIP3A2118 45.981 35.614 21.432 1.00 0.00 O +ATOM 6353 H1 TIP3A2118 45.509 35.059 22.052 1.00 0.00 H +ATOM 6354 H2 TIP3A2118 45.492 35.527 20.612 1.00 0.00 H +ATOM 6355 O1 TIP3A2119 54.880 33.323 35.551 1.00 0.00 O +ATOM 6356 H1 TIP3A2119 53.933 33.266 35.668 1.00 0.00 H +ATOM 6357 H2 TIP3A2119 54.995 33.919 34.810 1.00 0.00 H +ATOM 6358 O1 TIP3A2120 22.418 39.843 36.502 1.00 0.00 O +ATOM 6359 H1 TIP3A2120 21.580 40.304 36.507 1.00 0.00 H +ATOM 6360 H2 TIP3A2120 22.355 39.223 37.229 1.00 0.00 H +ATOM 6361 O1 TIP3A2121 31.323 8.659 23.585 1.00 0.00 O +ATOM 6362 H1 TIP3A2121 32.241 8.490 23.376 1.00 0.00 H +ATOM 6363 H2 TIP3A2121 30.882 7.825 23.422 1.00 0.00 H +ATOM 6364 O1 TIP3A2122 15.080 56.480 12.822 1.00 0.00 O +ATOM 6365 H1 TIP3A2122 15.695 55.753 12.917 1.00 0.00 H +ATOM 6366 H2 TIP3A2122 15.349 57.111 13.489 1.00 0.00 H +ATOM 6367 O1 TIP3A2123 1.253 29.403 37.857 1.00 0.00 O +ATOM 6368 H1 TIP3A2123 0.336 29.676 37.865 1.00 0.00 H +ATOM 6369 H2 TIP3A2123 1.294 28.683 38.487 1.00 0.00 H +ATOM 6370 O1 TIP3A2124 16.756 6.174 21.441 1.00 0.00 O +ATOM 6371 H1 TIP3A2124 16.582 7.107 21.321 1.00 0.00 H +ATOM 6372 H2 TIP3A2124 16.162 5.908 22.143 1.00 0.00 H +ATOM 6373 O1 TIP3A2125 57.518 25.932 54.843 1.00 0.00 O +ATOM 6374 H1 TIP3A2125 57.983 26.766 54.791 1.00 0.00 H +ATOM 6375 H2 TIP3A2125 58.002 25.350 54.256 1.00 0.00 H +ATOM 6376 O1 TIP3A2126 42.469 44.307 19.078 1.00 0.00 O +ATOM 6377 H1 TIP3A2126 41.708 43.794 18.809 1.00 0.00 H +ATOM 6378 H2 TIP3A2126 42.170 45.217 19.042 1.00 0.00 H +ATOM 6379 O1 TIP3A2127 48.616 7.349 42.510 1.00 0.00 O +ATOM 6380 H1 TIP3A2127 49.030 6.760 43.140 1.00 0.00 H +ATOM 6381 H2 TIP3A2127 48.639 8.208 42.933 1.00 0.00 H +ATOM 6382 O1 TIP3A2128 25.180 30.537 45.453 1.00 0.00 O +ATOM 6383 H1 TIP3A2128 25.764 30.337 46.183 1.00 0.00 H +ATOM 6384 H2 TIP3A2128 24.461 31.032 45.847 1.00 0.00 H +ATOM 6385 O1 TIP3A2129 11.763 6.907 4.667 1.00 0.00 O +ATOM 6386 H1 TIP3A2129 11.935 6.839 3.728 1.00 0.00 H +ATOM 6387 H2 TIP3A2129 11.146 7.634 4.746 1.00 0.00 H +ATOM 6388 O1 TIP3A2130 28.712 35.206 7.342 1.00 0.00 O +ATOM 6389 H1 TIP3A2130 28.716 35.667 8.180 1.00 0.00 H +ATOM 6390 H2 TIP3A2130 28.481 35.878 6.700 1.00 0.00 H +ATOM 6391 O1 TIP3A2131 43.783 9.069 11.729 1.00 0.00 O +ATOM 6392 H1 TIP3A2131 43.266 9.865 11.609 1.00 0.00 H +ATOM 6393 H2 TIP3A2131 43.380 8.632 12.480 1.00 0.00 H +ATOM 6394 O1 TIP3A2132 23.026 2.121 47.564 1.00 0.00 O +ATOM 6395 H1 TIP3A2132 22.263 2.591 47.900 1.00 0.00 H +ATOM 6396 H2 TIP3A2132 22.961 1.248 47.953 1.00 0.00 H +ATOM 6397 O1 TIP3A2133 50.685 43.438 29.057 1.00 0.00 O +ATOM 6398 H1 TIP3A2133 51.562 43.073 29.171 1.00 0.00 H +ATOM 6399 H2 TIP3A2133 50.817 44.211 28.507 1.00 0.00 H +ATOM 6400 O1 TIP3A2134 54.590 23.316 23.698 1.00 0.00 O +ATOM 6401 H1 TIP3A2134 55.286 23.078 24.310 1.00 0.00 H +ATOM 6402 H2 TIP3A2134 53.834 22.801 23.981 1.00 0.00 H +ATOM 6403 O1 TIP3A2135 3.832 15.834 38.545 1.00 0.00 O +ATOM 6404 H1 TIP3A2135 3.148 16.502 38.539 1.00 0.00 H +ATOM 6405 H2 TIP3A2135 4.483 16.151 37.917 1.00 0.00 H +ATOM 6406 O1 TIP3A2136 53.480 47.499 7.058 1.00 0.00 O +ATOM 6407 H1 TIP3A2136 54.384 47.208 6.948 1.00 0.00 H +ATOM 6408 H2 TIP3A2136 53.523 48.158 7.752 1.00 0.00 H +ATOM 6409 O1 TIP3A2137 40.039 16.358 7.319 1.00 0.00 O +ATOM 6410 H1 TIP3A2137 40.708 17.042 7.333 1.00 0.00 H +ATOM 6411 H2 TIP3A2137 39.661 16.410 6.441 1.00 0.00 H +ATOM 6412 O1 TIP3A2138 6.572 7.929 42.516 1.00 0.00 O +ATOM 6413 H1 TIP3A2138 7.127 8.582 42.091 1.00 0.00 H +ATOM 6414 H2 TIP3A2138 7.056 7.676 43.302 1.00 0.00 H +ATOM 6415 O1 TIP3A2139 1.213 40.600 4.482 1.00 0.00 O +ATOM 6416 H1 TIP3A2139 0.361 40.217 4.685 1.00 0.00 H +ATOM 6417 H2 TIP3A2139 1.050 41.156 3.719 1.00 0.00 H +ATOM 6418 O1 TIP3A2140 6.328 26.472 12.192 1.00 0.00 O +ATOM 6419 H1 TIP3A2140 6.704 27.113 12.794 1.00 0.00 H +ATOM 6420 H2 TIP3A2140 7.007 25.805 12.097 1.00 0.00 H +ATOM 6421 O1 TIP3A2141 21.600 26.970 22.202 1.00 0.00 O +ATOM 6422 H1 TIP3A2141 22.479 26.793 22.536 1.00 0.00 H +ATOM 6423 H2 TIP3A2141 21.041 26.336 22.652 1.00 0.00 H +ATOM 6424 O1 TIP3A2142 45.622 13.459 51.671 1.00 0.00 O +ATOM 6425 H1 TIP3A2142 46.352 12.842 51.660 1.00 0.00 H +ATOM 6426 H2 TIP3A2142 44.999 13.106 51.034 1.00 0.00 H +ATOM 6427 O1 TIP3A2143 26.240 22.566 24.235 1.00 0.00 O +ATOM 6428 H1 TIP3A2143 26.754 23.370 24.173 1.00 0.00 H +ATOM 6429 H2 TIP3A2143 26.878 21.862 24.114 1.00 0.00 H +ATOM 6430 O1 TIP3A2144 36.057 52.323 34.286 1.00 0.00 O +ATOM 6431 H1 TIP3A2144 36.946 52.494 33.978 1.00 0.00 H +ATOM 6432 H2 TIP3A2144 35.737 53.176 34.581 1.00 0.00 H +ATOM 6433 O1 TIP3A2145 45.256 21.313 6.787 1.00 0.00 O +ATOM 6434 H1 TIP3A2145 44.418 20.854 6.821 1.00 0.00 H +ATOM 6435 H2 TIP3A2145 45.052 22.156 6.380 1.00 0.00 H +ATOM 6436 O1 TIP3A2146 36.604 57.105 3.735 1.00 0.00 O +ATOM 6437 H1 TIP3A2146 37.298 56.756 4.293 1.00 0.00 H +ATOM 6438 H2 TIP3A2146 36.321 56.357 3.208 1.00 0.00 H +ATOM 6439 O1 TIP3A2147 15.482 12.299 28.359 1.00 0.00 O +ATOM 6440 H1 TIP3A2147 15.263 12.468 27.443 1.00 0.00 H +ATOM 6441 H2 TIP3A2147 15.071 11.456 28.553 1.00 0.00 H +ATOM 6442 O1 TIP3A2148 38.211 17.423 3.947 1.00 0.00 O +ATOM 6443 H1 TIP3A2148 38.917 16.930 3.529 1.00 0.00 H +ATOM 6444 H2 TIP3A2148 37.487 16.799 4.010 1.00 0.00 H +ATOM 6445 O1 TIP3A2149 32.160 25.548 57.374 1.00 0.00 O +ATOM 6446 H1 TIP3A2149 33.010 25.979 57.464 1.00 0.00 H +ATOM 6447 H2 TIP3A2149 31.594 26.001 58.000 1.00 0.00 H +ATOM 6448 O1 TIP3A2150 57.357 12.187 34.478 1.00 0.00 O +ATOM 6449 H1 TIP3A2150 57.509 13.121 34.335 1.00 0.00 H +ATOM 6450 H2 TIP3A2150 58.001 11.751 33.920 1.00 0.00 H +ATOM 6451 O1 TIP3A2151 21.355 11.246 8.108 1.00 0.00 O +ATOM 6452 H1 TIP3A2151 20.943 10.452 7.769 1.00 0.00 H +ATOM 6453 H2 TIP3A2151 21.989 11.495 7.435 1.00 0.00 H +ATOM 6454 O1 TIP3A2152 19.637 54.325 15.604 1.00 0.00 O +ATOM 6455 H1 TIP3A2152 20.296 54.091 16.257 1.00 0.00 H +ATOM 6456 H2 TIP3A2152 19.900 55.193 15.298 1.00 0.00 H +ATOM 6457 O1 TIP3A2153 20.599 9.509 33.271 1.00 0.00 O +ATOM 6458 H1 TIP3A2153 19.719 9.431 32.904 1.00 0.00 H +ATOM 6459 H2 TIP3A2153 20.792 8.636 33.617 1.00 0.00 H +ATOM 6460 O1 TIP3A2154 31.807 32.849 7.832 1.00 0.00 O +ATOM 6461 H1 TIP3A2154 31.511 33.729 7.605 1.00 0.00 H +ATOM 6462 H2 TIP3A2154 31.989 32.432 6.989 1.00 0.00 H +ATOM 6463 O1 TIP3A2155 36.778 31.909 5.081 1.00 0.00 O +ATOM 6464 H1 TIP3A2155 37.454 31.283 5.337 1.00 0.00 H +ATOM 6465 H2 TIP3A2155 36.081 31.370 4.705 1.00 0.00 H +ATOM 6466 O1 TIP3A2156 23.079 33.205 21.389 1.00 0.00 O +ATOM 6467 H1 TIP3A2156 22.767 32.443 21.876 1.00 0.00 H +ATOM 6468 H2 TIP3A2156 22.368 33.843 21.459 1.00 0.00 H +ATOM 6469 O1 TIP3A2157 40.466 40.954 5.042 1.00 0.00 O +ATOM 6470 H1 TIP3A2157 40.630 40.490 5.863 1.00 0.00 H +ATOM 6471 H2 TIP3A2157 39.549 41.223 5.098 1.00 0.00 H +ATOM 6472 O1 TIP3A2158 37.970 48.478 37.430 1.00 0.00 O +ATOM 6473 H1 TIP3A2158 37.220 49.036 37.636 1.00 0.00 H +ATOM 6474 H2 TIP3A2158 38.220 48.092 38.270 1.00 0.00 H +ATOM 6475 O1 TIP3A2159 28.677 2.083 43.561 1.00 0.00 O +ATOM 6476 H1 TIP3A2159 28.408 1.165 43.560 1.00 0.00 H +ATOM 6477 H2 TIP3A2159 28.520 2.378 44.458 1.00 0.00 H +ATOM 6478 O1 TIP3A2160 39.744 50.757 11.784 1.00 0.00 O +ATOM 6479 H1 TIP3A2160 40.487 51.280 11.486 1.00 0.00 H +ATOM 6480 H2 TIP3A2160 39.753 49.983 11.219 1.00 0.00 H +ATOM 6481 O1 TIP3A2161 51.574 9.410 18.892 1.00 0.00 O +ATOM 6482 H1 TIP3A2161 52.143 9.153 18.167 1.00 0.00 H +ATOM 6483 H2 TIP3A2161 50.728 9.011 18.686 1.00 0.00 H +ATOM 6484 O1 TIP3A2162 54.623 51.016 29.094 1.00 0.00 O +ATOM 6485 H1 TIP3A2162 55.147 50.228 29.233 1.00 0.00 H +ATOM 6486 H2 TIP3A2162 55.018 51.672 29.669 1.00 0.00 H +ATOM 6487 O1 TIP3A2163 47.467 13.593 16.211 1.00 0.00 O +ATOM 6488 H1 TIP3A2163 47.685 12.812 16.718 1.00 0.00 H +ATOM 6489 H2 TIP3A2163 46.570 13.444 15.913 1.00 0.00 H +ATOM 6490 O1 TIP3A2164 56.442 0.094 22.862 1.00 0.00 O +ATOM 6491 H1 TIP3A2164 56.562 1.040 22.780 1.00 0.00 H +ATOM 6492 H2 TIP3A2164 55.639 -0.002 23.375 1.00 0.00 H +ATOM 6493 O1 TIP3A2165 27.375 14.986 46.675 1.00 0.00 O +ATOM 6494 H1 TIP3A2165 26.428 14.950 46.805 1.00 0.00 H +ATOM 6495 H2 TIP3A2165 27.691 14.133 46.974 1.00 0.00 H +ATOM 6496 O1 TIP3A2166 57.872 34.547 25.671 1.00 0.00 O +ATOM 6497 H1 TIP3A2166 57.960 33.596 25.725 1.00 0.00 H +ATOM 6498 H2 TIP3A2166 57.546 34.708 24.785 1.00 0.00 H +ATOM 6499 O1 TIP3A2167 16.730 33.146 55.647 1.00 0.00 O +ATOM 6500 H1 TIP3A2167 16.249 32.334 55.488 1.00 0.00 H +ATOM 6501 H2 TIP3A2167 16.105 33.840 55.434 1.00 0.00 H +ATOM 6502 O1 TIP3A2168 47.239 19.534 30.095 1.00 0.00 O +ATOM 6503 H1 TIP3A2168 46.369 19.865 30.314 1.00 0.00 H +ATOM 6504 H2 TIP3A2168 47.369 18.791 30.685 1.00 0.00 H +ATOM 6505 O1 TIP3A2169 12.386 19.072 11.803 1.00 0.00 O +ATOM 6506 H1 TIP3A2169 13.038 18.559 11.326 1.00 0.00 H +ATOM 6507 H2 TIP3A2169 12.892 19.550 12.461 1.00 0.00 H +ATOM 6508 O1 TIP3A2170 13.639 3.132 38.936 1.00 0.00 O +ATOM 6509 H1 TIP3A2170 13.210 2.385 39.352 1.00 0.00 H +ATOM 6510 H2 TIP3A2170 13.523 3.852 39.556 1.00 0.00 H +ATOM 6511 O1 TIP3A2171 44.662 37.255 18.074 1.00 0.00 O +ATOM 6512 H1 TIP3A2171 43.919 36.659 18.171 1.00 0.00 H +ATOM 6513 H2 TIP3A2171 44.552 37.892 18.781 1.00 0.00 H +ATOM 6514 O1 TIP3A2172 6.207 14.703 4.655 1.00 0.00 O +ATOM 6515 H1 TIP3A2172 6.606 13.858 4.859 1.00 0.00 H +ATOM 6516 H2 TIP3A2172 5.607 14.518 3.932 1.00 0.00 H +ATOM 6517 O1 TIP3A2173 52.400 42.261 22.283 1.00 0.00 O +ATOM 6518 H1 TIP3A2173 52.147 43.166 22.463 1.00 0.00 H +ATOM 6519 H2 TIP3A2173 51.861 41.738 22.877 1.00 0.00 H +ATOM 6520 O1 TIP3A2174 23.062 33.362 42.917 1.00 0.00 O +ATOM 6521 H1 TIP3A2174 22.167 33.363 43.253 1.00 0.00 H +ATOM 6522 H2 TIP3A2174 23.088 34.095 42.300 1.00 0.00 H +ATOM 6523 O1 TIP3A2175 47.623 47.151 31.225 1.00 0.00 O +ATOM 6524 H1 TIP3A2175 48.323 47.597 30.749 1.00 0.00 H +ATOM 6525 H2 TIP3A2175 47.408 46.394 30.680 1.00 0.00 H +ATOM 6526 O1 TIP3A2176 39.697 8.685 39.221 1.00 0.00 O +ATOM 6527 H1 TIP3A2176 39.338 9.373 39.780 1.00 0.00 H +ATOM 6528 H2 TIP3A2176 39.547 8.997 38.328 1.00 0.00 H +ATOM 6529 O1 TIP3A2177 4.704 35.856 9.772 1.00 0.00 O +ATOM 6530 H1 TIP3A2177 5.268 35.106 9.586 1.00 0.00 H +ATOM 6531 H2 TIP3A2177 5.259 36.458 10.269 1.00 0.00 H +ATOM 6532 O1 TIP3A2178 23.482 30.170 52.140 1.00 0.00 O +ATOM 6533 H1 TIP3A2178 24.321 30.444 51.772 1.00 0.00 H +ATOM 6534 H2 TIP3A2178 23.581 30.297 53.084 1.00 0.00 H +ATOM 6535 O1 TIP3A2179 36.507 30.314 44.492 1.00 0.00 O +ATOM 6536 H1 TIP3A2179 37.068 31.033 44.780 1.00 0.00 H +ATOM 6537 H2 TIP3A2179 37.077 29.764 43.954 1.00 0.00 H +ATOM 6538 O1 TIP3A2180 52.645 42.250 31.041 1.00 0.00 O +ATOM 6539 H1 TIP3A2180 52.669 41.386 31.451 1.00 0.00 H +ATOM 6540 H2 TIP3A2180 52.871 42.857 31.747 1.00 0.00 H +ATOM 6541 O1 TIP3A2181 37.429 49.014 46.926 1.00 0.00 O +ATOM 6542 H1 TIP3A2181 38.061 48.376 47.256 1.00 0.00 H +ATOM 6543 H2 TIP3A2181 37.116 48.638 46.102 1.00 0.00 H +ATOM 6544 O1 TIP3A2182 20.362 16.718 53.130 1.00 0.00 O +ATOM 6545 H1 TIP3A2182 20.930 17.104 52.464 1.00 0.00 H +ATOM 6546 H2 TIP3A2182 20.343 17.366 53.834 1.00 0.00 H +ATOM 6547 O1 TIP3A2183 25.339 19.259 43.365 1.00 0.00 O +ATOM 6548 H1 TIP3A2183 24.979 18.588 42.786 1.00 0.00 H +ATOM 6549 H2 TIP3A2183 26.216 18.941 43.584 1.00 0.00 H +ATOM 6550 O1 TIP3A2184 50.188 21.771 34.208 1.00 0.00 O +ATOM 6551 H1 TIP3A2184 49.535 21.165 34.555 1.00 0.00 H +ATOM 6552 H2 TIP3A2184 51.000 21.532 34.657 1.00 0.00 H +ATOM 6553 O1 TIP3A2185 43.445 14.157 46.330 1.00 0.00 O +ATOM 6554 H1 TIP3A2185 43.584 15.103 46.303 1.00 0.00 H +ATOM 6555 H2 TIP3A2185 44.169 13.793 45.820 1.00 0.00 H +ATOM 6556 O1 TIP3A2186 49.630 42.787 26.196 1.00 0.00 O +ATOM 6557 H1 TIP3A2186 49.838 43.563 25.677 1.00 0.00 H +ATOM 6558 H2 TIP3A2186 48.696 42.639 26.043 1.00 0.00 H +ATOM 6559 O1 TIP3A2187 51.588 49.560 27.699 1.00 0.00 O +ATOM 6560 H1 TIP3A2187 50.806 49.042 27.887 1.00 0.00 H +ATOM 6561 H2 TIP3A2187 51.287 50.468 27.722 1.00 0.00 H +ATOM 6562 O1 TIP3A2188 35.166 46.511 18.513 1.00 0.00 O +ATOM 6563 H1 TIP3A2188 34.578 46.578 19.264 1.00 0.00 H +ATOM 6564 H2 TIP3A2188 35.113 45.592 18.248 1.00 0.00 H +ATOM 6565 O1 TIP3A2189 24.263 6.733 52.171 1.00 0.00 O +ATOM 6566 H1 TIP3A2189 25.091 6.579 51.718 1.00 0.00 H +ATOM 6567 H2 TIP3A2189 24.513 6.888 53.083 1.00 0.00 H +ATOM 6568 O1 TIP3A2190 45.275 41.276 30.836 1.00 0.00 O +ATOM 6569 H1 TIP3A2190 46.229 41.292 30.772 1.00 0.00 H +ATOM 6570 H2 TIP3A2190 45.017 40.473 30.382 1.00 0.00 H +ATOM 6571 O1 TIP3A2191 56.604 51.010 55.340 1.00 0.00 O +ATOM 6572 H1 TIP3A2191 56.474 50.263 55.923 1.00 0.00 H +ATOM 6573 H2 TIP3A2191 57.554 51.134 55.317 1.00 0.00 H +ATOM 6574 O1 TIP3A2192 10.723 48.626 40.516 1.00 0.00 O +ATOM 6575 H1 TIP3A2192 9.927 49.017 40.158 1.00 0.00 H +ATOM 6576 H2 TIP3A2192 10.412 47.895 41.051 1.00 0.00 H +ATOM 6577 O1 TIP3A2193 35.538 51.689 12.642 1.00 0.00 O +ATOM 6578 H1 TIP3A2193 36.477 51.679 12.822 1.00 0.00 H +ATOM 6579 H2 TIP3A2193 35.282 50.766 12.651 1.00 0.00 H +ATOM 6580 O1 TIP3A2194 18.269 36.789 54.870 1.00 0.00 O +ATOM 6581 H1 TIP3A2194 18.717 37.614 55.053 1.00 0.00 H +ATOM 6582 H2 TIP3A2194 17.464 37.047 54.421 1.00 0.00 H +ATOM 6583 O1 TIP3A2195 30.464 27.335 20.458 1.00 0.00 O +ATOM 6584 H1 TIP3A2195 30.482 26.872 21.295 1.00 0.00 H +ATOM 6585 H2 TIP3A2195 30.802 28.208 20.659 1.00 0.00 H +ATOM 6586 O1 TIP3A2196 27.164 48.255 12.150 1.00 0.00 O +ATOM 6587 H1 TIP3A2196 28.086 48.001 12.135 1.00 0.00 H +ATOM 6588 H2 TIP3A2196 27.146 49.064 12.662 1.00 0.00 H +ATOM 6589 O1 TIP3A2197 24.093 17.162 32.701 1.00 0.00 O +ATOM 6590 H1 TIP3A2197 24.976 17.130 32.333 1.00 0.00 H +ATOM 6591 H2 TIP3A2197 24.177 17.715 33.479 1.00 0.00 H +ATOM 6592 O1 TIP3A2198 53.428 42.278 39.518 1.00 0.00 O +ATOM 6593 H1 TIP3A2198 54.029 42.148 38.785 1.00 0.00 H +ATOM 6594 H2 TIP3A2198 52.596 41.914 39.213 1.00 0.00 H +ATOM 6595 O1 TIP3A2199 32.526 5.347 25.241 1.00 0.00 O +ATOM 6596 H1 TIP3A2199 33.461 5.160 25.169 1.00 0.00 H +ATOM 6597 H2 TIP3A2199 32.228 5.436 24.336 1.00 0.00 H +ATOM 6598 O1 TIP3A2200 34.851 44.572 29.699 1.00 0.00 O +ATOM 6599 H1 TIP3A2200 35.049 45.005 28.870 1.00 0.00 H +ATOM 6600 H2 TIP3A2200 34.870 45.276 30.348 1.00 0.00 H +ATOM 6601 O1 TIP3A2201 9.314 36.995 20.196 1.00 0.00 O +ATOM 6602 H1 TIP3A2201 8.826 36.417 19.611 1.00 0.00 H +ATOM 6603 H2 TIP3A2201 10.191 36.614 20.234 1.00 0.00 H +ATOM 6604 O1 TIP3A2202 53.626 57.302 12.863 1.00 0.00 O +ATOM 6605 H1 TIP3A2202 54.531 57.016 12.982 1.00 0.00 H +ATOM 6606 H2 TIP3A2202 53.422 57.792 13.661 1.00 0.00 H +ATOM 6607 O1 TIP3A2203 41.442 9.443 5.800 1.00 0.00 O +ATOM 6608 H1 TIP3A2203 40.647 9.013 6.114 1.00 0.00 H +ATOM 6609 H2 TIP3A2203 42.154 8.873 6.092 1.00 0.00 H +ATOM 6610 O1 TIP3A2204 40.309 49.112 38.672 1.00 0.00 O +ATOM 6611 H1 TIP3A2204 39.921 49.847 39.146 1.00 0.00 H +ATOM 6612 H2 TIP3A2204 40.938 49.517 38.074 1.00 0.00 H +ATOM 6613 O1 TIP3A2205 26.376 6.348 15.269 1.00 0.00 O +ATOM 6614 H1 TIP3A2205 25.507 5.969 15.395 1.00 0.00 H +ATOM 6615 H2 TIP3A2205 26.238 7.063 14.647 1.00 0.00 H +ATOM 6616 O1 TIP3A2206 43.049 51.192 9.396 1.00 0.00 O +ATOM 6617 H1 TIP3A2206 43.138 50.440 9.980 1.00 0.00 H +ATOM 6618 H2 TIP3A2206 43.898 51.634 9.442 1.00 0.00 H +ATOM 6619 O1 TIP3A2207 49.376 7.455 53.960 1.00 0.00 O +ATOM 6620 H1 TIP3A2207 48.619 7.757 53.460 1.00 0.00 H +ATOM 6621 H2 TIP3A2207 49.257 7.836 54.831 1.00 0.00 H +ATOM 6622 O1 TIP3A2208 18.707 42.263 29.789 1.00 0.00 O +ATOM 6623 H1 TIP3A2208 19.175 41.703 30.408 1.00 0.00 H +ATOM 6624 H2 TIP3A2208 18.232 41.653 29.224 1.00 0.00 H +ATOM 6625 O1 TIP3A2209 31.168 19.074 28.737 1.00 0.00 O +ATOM 6626 H1 TIP3A2209 30.305 19.071 29.150 1.00 0.00 H +ATOM 6627 H2 TIP3A2209 31.783 18.972 29.464 1.00 0.00 H +ATOM 6628 O1 TIP3A2210 36.744 56.193 0.838 1.00 0.00 O +ATOM 6629 H1 TIP3A2210 37.422 56.807 1.120 1.00 0.00 H +ATOM 6630 H2 TIP3A2210 37.229 55.450 0.477 1.00 0.00 H +ATOM 6631 O1 TIP3A2211 32.040 13.491 23.791 1.00 0.00 O +ATOM 6632 H1 TIP3A2211 31.089 13.401 23.848 1.00 0.00 H +ATOM 6633 H2 TIP3A2211 32.245 13.297 22.876 1.00 0.00 H +ATOM 6634 O1 TIP3A2212 11.241 35.786 11.552 1.00 0.00 O +ATOM 6635 H1 TIP3A2212 10.564 35.123 11.414 1.00 0.00 H +ATOM 6636 H2 TIP3A2212 10.940 36.544 11.050 1.00 0.00 H +ATOM 6637 O1 TIP3A2213 46.114 3.789 31.544 1.00 0.00 O +ATOM 6638 H1 TIP3A2213 46.191 4.574 31.003 1.00 0.00 H +ATOM 6639 H2 TIP3A2213 46.324 4.087 32.430 1.00 0.00 H +ATOM 6640 O1 TIP3A2214 30.526 7.039 16.799 1.00 0.00 O +ATOM 6641 H1 TIP3A2214 29.929 6.544 16.239 1.00 0.00 H +ATOM 6642 H2 TIP3A2214 31.125 6.380 17.153 1.00 0.00 H +ATOM 6643 O1 TIP3A2215 2.924 6.717 31.454 1.00 0.00 O +ATOM 6644 H1 TIP3A2215 2.512 5.895 31.717 1.00 0.00 H +ATOM 6645 H2 TIP3A2215 2.622 6.862 30.557 1.00 0.00 H +ATOM 6646 O1 TIP3A2216 41.634 21.871 52.532 1.00 0.00 O +ATOM 6647 H1 TIP3A2216 41.112 22.007 51.742 1.00 0.00 H +ATOM 6648 H2 TIP3A2216 41.611 20.924 52.674 1.00 0.00 H +ATOM 6649 O1 TIP3A2217 21.589 11.133 5.009 1.00 0.00 O +ATOM 6650 H1 TIP3A2217 21.207 10.356 5.416 1.00 0.00 H +ATOM 6651 H2 TIP3A2217 20.898 11.794 5.056 1.00 0.00 H +ATOM 6652 O1 TIP3A2218 40.581 31.269 9.132 1.00 0.00 O +ATOM 6653 H1 TIP3A2218 40.072 30.460 9.105 1.00 0.00 H +ATOM 6654 H2 TIP3A2218 40.249 31.786 8.396 1.00 0.00 H +ATOM 6655 O1 TIP3A2219 41.328 5.987 16.454 1.00 0.00 O +ATOM 6656 H1 TIP3A2219 40.558 5.430 16.342 1.00 0.00 H +ATOM 6657 H2 TIP3A2219 40.971 6.855 16.644 1.00 0.00 H +ATOM 6658 O1 TIP3A2220 8.355 15.677 6.959 1.00 0.00 O +ATOM 6659 H1 TIP3A2220 8.004 14.798 7.097 1.00 0.00 H +ATOM 6660 H2 TIP3A2220 9.302 15.550 6.892 1.00 0.00 H +ATOM 6661 O1 TIP3A2221 37.847 54.270 37.967 1.00 0.00 O +ATOM 6662 H1 TIP3A2221 37.811 54.453 37.028 1.00 0.00 H +ATOM 6663 H2 TIP3A2221 37.135 53.648 38.118 1.00 0.00 H +ATOM 6664 O1 TIP3A2222 14.869 34.734 34.960 1.00 0.00 O +ATOM 6665 H1 TIP3A2222 14.019 35.164 35.041 1.00 0.00 H +ATOM 6666 H2 TIP3A2222 14.957 34.223 35.766 1.00 0.00 H +ATOM 6667 O1 TIP3A2223 53.482 53.002 18.861 1.00 0.00 O +ATOM 6668 H1 TIP3A2223 53.431 53.932 19.075 1.00 0.00 H +ATOM 6669 H2 TIP3A2223 52.589 52.764 18.609 1.00 0.00 H +ATOM 6670 O1 TIP3A2224 20.100 9.680 25.565 1.00 0.00 O +ATOM 6671 H1 TIP3A2224 20.127 8.835 26.014 1.00 0.00 H +ATOM 6672 H2 TIP3A2224 20.620 10.263 26.119 1.00 0.00 H +ATOM 6673 O1 TIP3A2225 42.221 57.852 11.606 1.00 0.00 O +ATOM 6674 H1 TIP3A2225 43.134 57.697 11.363 1.00 0.00 H +ATOM 6675 H2 TIP3A2225 41.918 57.011 11.949 1.00 0.00 H +ATOM 6676 O1 TIP3A2226 6.315 19.843 48.492 1.00 0.00 O +ATOM 6677 H1 TIP3A2226 5.860 19.003 48.534 1.00 0.00 H +ATOM 6678 H2 TIP3A2226 5.898 20.306 47.765 1.00 0.00 H +ATOM 6679 O1 TIP3A2227 4.004 10.409 22.610 1.00 0.00 O +ATOM 6680 H1 TIP3A2227 3.701 10.982 23.314 1.00 0.00 H +ATOM 6681 H2 TIP3A2227 3.423 9.649 22.652 1.00 0.00 H +ATOM 6682 O1 TIP3A2228 40.712 20.772 32.471 1.00 0.00 O +ATOM 6683 H1 TIP3A2228 41.635 21.002 32.576 1.00 0.00 H +ATOM 6684 H2 TIP3A2228 40.702 20.144 31.748 1.00 0.00 H +ATOM 6685 O1 TIP3A2229 20.851 7.165 37.070 1.00 0.00 O +ATOM 6686 H1 TIP3A2229 21.089 7.161 36.144 1.00 0.00 H +ATOM 6687 H2 TIP3A2229 20.294 6.393 37.178 1.00 0.00 H +ATOM 6688 O1 TIP3A2230 20.926 42.089 41.720 1.00 0.00 O +ATOM 6689 H1 TIP3A2230 21.479 41.719 42.407 1.00 0.00 H +ATOM 6690 H2 TIP3A2230 21.514 42.200 40.972 1.00 0.00 H +ATOM 6691 O1 TIP3A2231 3.588 45.773 14.262 1.00 0.00 O +ATOM 6692 H1 TIP3A2231 4.128 46.148 14.957 1.00 0.00 H +ATOM 6693 H2 TIP3A2231 3.677 46.385 13.531 1.00 0.00 H +ATOM 6694 O1 TIP3A2232 50.860 37.039 31.421 1.00 0.00 O +ATOM 6695 H1 TIP3A2232 49.958 36.912 31.129 1.00 0.00 H +ATOM 6696 H2 TIP3A2232 51.071 36.240 31.904 1.00 0.00 H +ATOM 6697 O1 TIP3A2233 45.243 47.651 34.627 1.00 0.00 O +ATOM 6698 H1 TIP3A2233 45.778 47.200 35.280 1.00 0.00 H +ATOM 6699 H2 TIP3A2233 45.853 47.862 33.920 1.00 0.00 H +ATOM 6700 O1 TIP3A2234 10.094 45.599 41.086 1.00 0.00 O +ATOM 6701 H1 TIP3A2234 9.870 44.809 40.596 1.00 0.00 H +ATOM 6702 H2 TIP3A2234 10.018 45.341 42.005 1.00 0.00 H +ATOM 6703 O1 TIP3A2235 43.603 31.511 6.478 1.00 0.00 O +ATOM 6704 H1 TIP3A2235 43.554 32.197 5.813 1.00 0.00 H +ATOM 6705 H2 TIP3A2235 43.397 31.958 7.300 1.00 0.00 H +ATOM 6706 O1 TIP3A2236 34.512 25.472 47.115 1.00 0.00 O +ATOM 6707 H1 TIP3A2236 34.300 25.578 46.189 1.00 0.00 H +ATOM 6708 H2 TIP3A2236 35.235 26.082 47.267 1.00 0.00 H +ATOM 6709 O1 TIP3A2237 3.734 49.952 29.095 1.00 0.00 O +ATOM 6710 H1 TIP3A2237 3.451 50.854 28.948 1.00 0.00 H +ATOM 6711 H2 TIP3A2237 2.940 49.429 28.980 1.00 0.00 H +ATOM 6712 O1 TIP3A2238 49.255 10.983 17.269 1.00 0.00 O +ATOM 6713 H1 TIP3A2238 50.175 10.721 17.254 1.00 0.00 H +ATOM 6714 H2 TIP3A2238 49.228 11.734 17.864 1.00 0.00 H +ATOM 6715 O1 TIP3A2239 46.518 18.875 8.178 1.00 0.00 O +ATOM 6716 H1 TIP3A2239 47.129 18.196 7.894 1.00 0.00 H +ATOM 6717 H2 TIP3A2239 47.049 19.671 8.225 1.00 0.00 H +ATOM 6718 O1 TIP3A2240 15.614 8.308 37.619 1.00 0.00 O +ATOM 6719 H1 TIP3A2240 14.778 8.707 37.382 1.00 0.00 H +ATOM 6720 H2 TIP3A2240 15.464 7.935 38.489 1.00 0.00 H +ATOM 6721 O1 TIP3A2241 24.812 44.382 11.413 1.00 0.00 O +ATOM 6722 H1 TIP3A2241 24.181 45.071 11.620 1.00 0.00 H +ATOM 6723 H2 TIP3A2241 24.417 43.582 11.762 1.00 0.00 H +ATOM 6724 O1 TIP3A2242 8.627 4.014 57.753 1.00 0.00 O +ATOM 6725 H1 TIP3A2242 8.266 4.653 57.139 1.00 0.00 H +ATOM 6726 H2 TIP3A2242 9.371 3.629 57.288 1.00 0.00 H +ATOM 6727 O1 TIP3A2243 9.851 46.532 50.212 1.00 0.00 O +ATOM 6728 H1 TIP3A2243 10.288 45.813 50.667 1.00 0.00 H +ATOM 6729 H2 TIP3A2243 9.148 46.110 49.717 1.00 0.00 H +ATOM 6730 O1 TIP3A2244 36.171 9.866 57.541 1.00 0.00 O +ATOM 6731 H1 TIP3A2244 36.700 9.222 58.011 1.00 0.00 H +ATOM 6732 H2 TIP3A2244 36.603 9.957 56.691 1.00 0.00 H +ATOM 6733 O1 TIP3A2245 9.498 26.427 46.494 1.00 0.00 O +ATOM 6734 H1 TIP3A2245 10.165 25.745 46.419 1.00 0.00 H +ATOM 6735 H2 TIP3A2245 8.861 26.215 45.812 1.00 0.00 H +ATOM 6736 O1 TIP3A2246 23.448 15.225 1.475 1.00 0.00 O +ATOM 6737 H1 TIP3A2246 22.799 14.522 1.457 1.00 0.00 H +ATOM 6738 H2 TIP3A2246 24.103 14.931 2.109 1.00 0.00 H +ATOM 6739 O1 TIP3A2247 7.401 40.614 45.987 1.00 0.00 O +ATOM 6740 H1 TIP3A2247 7.241 41.094 45.174 1.00 0.00 H +ATOM 6741 H2 TIP3A2247 7.765 41.268 46.584 1.00 0.00 H +ATOM 6742 O1 TIP3A2248 23.807 51.192 22.616 1.00 0.00 O +ATOM 6743 H1 TIP3A2248 23.239 51.631 23.248 1.00 0.00 H +ATOM 6744 H2 TIP3A2248 23.341 51.269 21.782 1.00 0.00 H +ATOM 6745 O1 TIP3A2249 9.041 1.568 49.893 1.00 0.00 O +ATOM 6746 H1 TIP3A2249 9.921 1.238 50.071 1.00 0.00 H +ATOM 6747 H2 TIP3A2249 8.999 2.404 50.360 1.00 0.00 H +ATOM 6748 O1 TIP3A2250 20.857 41.882 20.316 1.00 0.00 O +ATOM 6749 H1 TIP3A2250 20.529 41.284 19.645 1.00 0.00 H +ATOM 6750 H2 TIP3A2250 21.194 42.632 19.825 1.00 0.00 H +ATOM 6751 O1 TIP3A2251 2.562 22.435 31.160 1.00 0.00 O +ATOM 6752 H1 TIP3A2251 2.424 21.489 31.183 1.00 0.00 H +ATOM 6753 H2 TIP3A2251 1.983 22.745 30.462 1.00 0.00 H +ATOM 6754 O1 TIP3A2252 22.227 32.305 51.523 1.00 0.00 O +ATOM 6755 H1 TIP3A2252 23.177 32.414 51.548 1.00 0.00 H +ATOM 6756 H2 TIP3A2252 22.047 31.964 50.646 1.00 0.00 H +ATOM 6757 O1 TIP3A2253 17.026 52.310 50.210 1.00 0.00 O +ATOM 6758 H1 TIP3A2253 17.825 52.551 50.677 1.00 0.00 H +ATOM 6759 H2 TIP3A2253 16.362 52.914 50.543 1.00 0.00 H +ATOM 6760 O1 TIP3A2254 28.495 24.730 13.601 1.00 0.00 O +ATOM 6761 H1 TIP3A2254 28.099 24.960 14.441 1.00 0.00 H +ATOM 6762 H2 TIP3A2254 28.632 23.783 13.652 1.00 0.00 H +ATOM 6763 O1 TIP3A2255 17.583 55.410 44.166 1.00 0.00 O +ATOM 6764 H1 TIP3A2255 16.876 55.986 44.454 1.00 0.00 H +ATOM 6765 H2 TIP3A2255 18.051 55.919 43.502 1.00 0.00 H +ATOM 6766 O1 TIP3A2256 7.900 43.749 46.923 1.00 0.00 O +ATOM 6767 H1 TIP3A2256 8.789 43.732 47.276 1.00 0.00 H +ATOM 6768 H2 TIP3A2256 7.991 43.420 46.028 1.00 0.00 H +ATOM 6769 O1 TIP3A2257 38.482 26.979 54.687 1.00 0.00 O +ATOM 6770 H1 TIP3A2257 38.776 26.151 54.310 1.00 0.00 H +ATOM 6771 H2 TIP3A2257 38.178 26.749 55.565 1.00 0.00 H +ATOM 6772 O1 TIP3A2258 32.675 37.017 9.618 1.00 0.00 O +ATOM 6773 H1 TIP3A2258 32.696 37.957 9.443 1.00 0.00 H +ATOM 6774 H2 TIP3A2258 31.857 36.880 10.098 1.00 0.00 H +ATOM 6775 O1 TIP3A2259 51.898 45.290 15.582 1.00 0.00 O +ATOM 6776 H1 TIP3A2259 52.018 44.676 16.307 1.00 0.00 H +ATOM 6777 H2 TIP3A2259 52.468 44.956 14.889 1.00 0.00 H +ATOM 6778 O1 TIP3A2260 6.430 1.453 24.068 1.00 0.00 O +ATOM 6779 H1 TIP3A2260 7.248 1.155 24.464 1.00 0.00 H +ATOM 6780 H2 TIP3A2260 6.581 2.378 23.872 1.00 0.00 H +ATOM 6781 O1 TIP3A2261 36.234 36.272 1.651 1.00 0.00 O +ATOM 6782 H1 TIP3A2261 36.838 36.599 2.316 1.00 0.00 H +ATOM 6783 H2 TIP3A2261 35.746 35.575 2.092 1.00 0.00 H +ATOM 6784 O1 TIP3A2262 15.773 31.704 31.094 1.00 0.00 O +ATOM 6785 H1 TIP3A2262 15.105 31.038 31.255 1.00 0.00 H +ATOM 6786 H2 TIP3A2262 15.343 32.533 31.307 1.00 0.00 H +ATOM 6787 O1 TIP3A2263 25.648 25.636 24.312 1.00 0.00 O +ATOM 6788 H1 TIP3A2263 25.163 24.844 24.540 1.00 0.00 H +ATOM 6789 H2 TIP3A2263 25.639 25.656 23.355 1.00 0.00 H +ATOM 6790 O1 TIP3A2264 1.179 1.087 28.390 1.00 0.00 O +ATOM 6791 H1 TIP3A2264 0.728 1.800 27.941 1.00 0.00 H +ATOM 6792 H2 TIP3A2264 1.641 1.512 29.114 1.00 0.00 H +ATOM 6793 O1 TIP3A2265 52.322 36.048 23.226 1.00 0.00 O +ATOM 6794 H1 TIP3A2265 52.736 36.852 23.537 1.00 0.00 H +ATOM 6795 H2 TIP3A2265 52.944 35.355 23.452 1.00 0.00 H +ATOM 6796 O1 TIP3A2266 33.403 9.146 48.415 1.00 0.00 O +ATOM 6797 H1 TIP3A2266 33.051 10.021 48.578 1.00 0.00 H +ATOM 6798 H2 TIP3A2266 33.043 8.608 49.121 1.00 0.00 H +ATOM 6799 O1 TIP3A2267 30.914 48.180 15.386 1.00 0.00 O +ATOM 6800 H1 TIP3A2267 31.708 47.703 15.627 1.00 0.00 H +ATOM 6801 H2 TIP3A2267 30.404 48.221 16.195 1.00 0.00 H +ATOM 6802 O1 TIP3A2268 43.517 23.973 32.570 1.00 0.00 O +ATOM 6803 H1 TIP3A2268 42.848 23.565 33.119 1.00 0.00 H +ATOM 6804 H2 TIP3A2268 44.132 23.265 32.375 1.00 0.00 H +ATOM 6805 O1 TIP3A2269 8.681 19.665 36.947 1.00 0.00 O +ATOM 6806 H1 TIP3A2269 9.042 19.791 36.070 1.00 0.00 H +ATOM 6807 H2 TIP3A2269 8.359 20.530 37.202 1.00 0.00 H +ATOM 6808 O1 TIP3A2270 26.048 12.068 1.549 1.00 0.00 O +ATOM 6809 H1 TIP3A2270 26.410 12.657 2.210 1.00 0.00 H +ATOM 6810 H2 TIP3A2270 25.809 12.641 0.821 1.00 0.00 H +ATOM 6811 O1 TIP3A2271 21.899 2.558 40.224 1.00 0.00 O +ATOM 6812 H1 TIP3A2271 22.635 2.047 39.889 1.00 0.00 H +ATOM 6813 H2 TIP3A2271 22.194 2.875 41.078 1.00 0.00 H +ATOM 6814 O1 TIP3A2272 33.767 39.037 3.207 1.00 0.00 O +ATOM 6815 H1 TIP3A2272 33.622 38.095 3.125 1.00 0.00 H +ATOM 6816 H2 TIP3A2272 34.677 39.115 3.498 1.00 0.00 H +ATOM 6817 O1 TIP3A2273 27.897 33.075 1.702 1.00 0.00 O +ATOM 6818 H1 TIP3A2273 27.082 32.948 1.216 1.00 0.00 H +ATOM 6819 H2 TIP3A2273 28.235 33.915 1.389 1.00 0.00 H +ATOM 6820 O1 TIP3A2274 23.183 34.330 11.835 1.00 0.00 O +ATOM 6821 H1 TIP3A2274 23.594 33.794 11.157 1.00 0.00 H +ATOM 6822 H2 TIP3A2274 22.261 34.376 11.578 1.00 0.00 H +ATOM 6823 O1 TIP3A2275 56.355 38.121 2.813 1.00 0.00 O +ATOM 6824 H1 TIP3A2275 56.890 37.333 2.722 1.00 0.00 H +ATOM 6825 H2 TIP3A2275 55.722 38.066 2.097 1.00 0.00 H +ATOM 6826 O1 TIP3A2276 33.816 50.401 56.570 1.00 0.00 O +ATOM 6827 H1 TIP3A2276 33.414 51.198 56.226 1.00 0.00 H +ATOM 6828 H2 TIP3A2276 33.121 49.980 57.076 1.00 0.00 H +ATOM 6829 O1 TIP3A2277 57.393 16.898 0.654 1.00 0.00 O +ATOM 6830 H1 TIP3A2277 57.511 17.842 0.559 1.00 0.00 H +ATOM 6831 H2 TIP3A2277 56.752 16.806 1.360 1.00 0.00 H +ATOM 6832 O1 TIP3A2278 7.476 26.159 36.637 1.00 0.00 O +ATOM 6833 H1 TIP3A2278 7.014 26.887 37.052 1.00 0.00 H +ATOM 6834 H2 TIP3A2278 6.982 25.988 35.835 1.00 0.00 H +ATOM 6835 O1 TIP3A2279 51.111 8.902 36.277 1.00 0.00 O +ATOM 6836 H1 TIP3A2279 51.920 9.283 35.939 1.00 0.00 H +ATOM 6837 H2 TIP3A2279 51.130 7.993 35.977 1.00 0.00 H +ATOM 6838 O1 TIP3A2280 8.437 12.012 49.066 1.00 0.00 O +ATOM 6839 H1 TIP3A2280 8.724 11.917 48.158 1.00 0.00 H +ATOM 6840 H2 TIP3A2280 9.185 12.408 49.514 1.00 0.00 H +ATOM 6841 O1 TIP3A2281 49.065 13.052 50.338 1.00 0.00 O +ATOM 6842 H1 TIP3A2281 48.226 12.780 49.967 1.00 0.00 H +ATOM 6843 H2 TIP3A2281 49.254 12.397 51.011 1.00 0.00 H +ATOM 6844 O1 TIP3A2282 27.914 19.529 17.525 1.00 0.00 O +ATOM 6845 H1 TIP3A2282 27.110 19.104 17.822 1.00 0.00 H +ATOM 6846 H2 TIP3A2282 27.628 20.129 16.835 1.00 0.00 H +ATOM 6847 O1 TIP3A2283 4.216 51.110 22.077 1.00 0.00 O +ATOM 6848 H1 TIP3A2283 4.719 50.303 21.970 1.00 0.00 H +ATOM 6849 H2 TIP3A2283 4.039 51.159 23.017 1.00 0.00 H +ATOM 6850 O1 TIP3A2284 50.989 38.155 38.537 1.00 0.00 O +ATOM 6851 H1 TIP3A2284 51.803 38.627 38.366 1.00 0.00 H +ATOM 6852 H2 TIP3A2284 50.874 37.589 37.774 1.00 0.00 H +ATOM 6853 O1 TIP3A2285 28.611 7.482 27.949 1.00 0.00 O +ATOM 6854 H1 TIP3A2285 27.995 7.695 28.649 1.00 0.00 H +ATOM 6855 H2 TIP3A2285 28.866 6.576 28.122 1.00 0.00 H +ATOM 6856 O1 TIP3A2286 1.411 46.604 16.491 1.00 0.00 O +ATOM 6857 H1 TIP3A2286 1.006 45.797 16.809 1.00 0.00 H +ATOM 6858 H2 TIP3A2286 0.827 47.301 16.793 1.00 0.00 H +ATOM 6859 O1 TIP3A2287 16.658 9.880 46.905 1.00 0.00 O +ATOM 6860 H1 TIP3A2287 16.058 10.563 47.202 1.00 0.00 H +ATOM 6861 H2 TIP3A2287 16.377 9.686 46.010 1.00 0.00 H +ATOM 6862 O1 TIP3A2288 3.134 40.207 35.686 1.00 0.00 O +ATOM 6863 H1 TIP3A2288 2.262 40.288 35.301 1.00 0.00 H +ATOM 6864 H2 TIP3A2288 3.617 40.962 35.347 1.00 0.00 H +ATOM 6865 O1 TIP3A2289 23.448 10.113 43.538 1.00 0.00 O +ATOM 6866 H1 TIP3A2289 22.528 9.860 43.476 1.00 0.00 H +ATOM 6867 H2 TIP3A2289 23.540 10.841 42.922 1.00 0.00 H +ATOM 6868 O1 TIP3A2290 41.676 32.883 10.854 1.00 0.00 O +ATOM 6869 H1 TIP3A2290 41.862 32.903 9.916 1.00 0.00 H +ATOM 6870 H2 TIP3A2290 41.712 33.800 11.126 1.00 0.00 H +ATOM 6871 O1 TIP3A2291 42.250 2.001 30.996 1.00 0.00 O +ATOM 6872 H1 TIP3A2291 41.687 2.682 31.364 1.00 0.00 H +ATOM 6873 H2 TIP3A2291 42.169 1.267 31.606 1.00 0.00 H +ATOM 6874 O1 TIP3A2292 11.436 40.007 36.663 1.00 0.00 O +ATOM 6875 H1 TIP3A2292 11.057 39.129 36.641 1.00 0.00 H +ATOM 6876 H2 TIP3A2292 11.284 40.312 37.559 1.00 0.00 H +ATOM 6877 O1 TIP3A2293 10.687 22.570 9.283 1.00 0.00 O +ATOM 6878 H1 TIP3A2293 10.988 21.695 9.040 1.00 0.00 H +ATOM 6879 H2 TIP3A2293 10.622 22.544 10.239 1.00 0.00 H +ATOM 6880 O1 TIP3A2294 29.872 15.002 20.788 1.00 0.00 O +ATOM 6881 H1 TIP3A2294 30.459 15.366 21.449 1.00 0.00 H +ATOM 6882 H2 TIP3A2294 29.068 14.799 21.267 1.00 0.00 H +ATOM 6883 O1 TIP3A2295 2.302 15.937 57.296 1.00 0.00 O +ATOM 6884 H1 TIP3A2295 2.494 15.001 57.321 1.00 0.00 H +ATOM 6885 H2 TIP3A2295 2.892 16.321 57.945 1.00 0.00 H +ATOM 6886 O1 TIP3A2296 41.504 52.425 54.756 1.00 0.00 O +ATOM 6887 H1 TIP3A2296 42.407 52.115 54.827 1.00 0.00 H +ATOM 6888 H2 TIP3A2296 41.502 53.265 55.216 1.00 0.00 H +ATOM 6889 O1 TIP3A2297 12.844 11.181 40.457 1.00 0.00 O +ATOM 6890 H1 TIP3A2297 13.625 10.671 40.669 1.00 0.00 H +ATOM 6891 H2 TIP3A2297 12.424 11.341 41.303 1.00 0.00 H +ATOM 6892 O1 TIP3A2298 27.298 46.336 18.077 1.00 0.00 O +ATOM 6893 H1 TIP3A2298 27.224 47.289 18.062 1.00 0.00 H +ATOM 6894 H2 TIP3A2298 27.913 46.153 18.788 1.00 0.00 H +ATOM 6895 O1 TIP3A2299 22.616 29.706 30.317 1.00 0.00 O +ATOM 6896 H1 TIP3A2299 22.835 28.942 29.785 1.00 0.00 H +ATOM 6897 H2 TIP3A2299 22.659 29.390 31.220 1.00 0.00 H +ATOM 6898 O1 TIP3A2300 6.237 24.090 50.998 1.00 0.00 O +ATOM 6899 H1 TIP3A2300 5.747 24.802 51.408 1.00 0.00 H +ATOM 6900 H2 TIP3A2300 6.280 24.331 50.072 1.00 0.00 H +ATOM 6901 O1 TIP3A2301 39.505 43.897 38.885 1.00 0.00 O +ATOM 6902 H1 TIP3A2301 39.519 42.941 38.900 1.00 0.00 H +ATOM 6903 H2 TIP3A2301 40.052 44.157 39.627 1.00 0.00 H +ATOM 6904 O1 TIP3A2302 45.159 46.316 30.272 1.00 0.00 O +ATOM 6905 H1 TIP3A2302 44.206 46.371 30.222 1.00 0.00 H +ATOM 6906 H2 TIP3A2302 45.327 45.539 30.807 1.00 0.00 H +ATOM 6907 O1 TIP3A2303 26.727 30.251 13.098 1.00 0.00 O +ATOM 6908 H1 TIP3A2303 26.292 30.216 12.247 1.00 0.00 H +ATOM 6909 H2 TIP3A2303 26.714 31.178 13.336 1.00 0.00 H +ATOM 6910 O1 TIP3A2304 36.807 55.693 56.622 1.00 0.00 O +ATOM 6911 H1 TIP3A2304 37.133 55.001 57.196 1.00 0.00 H +ATOM 6912 H2 TIP3A2304 35.860 55.700 56.769 1.00 0.00 H +ATOM 6913 O1 TIP3A2305 8.430 9.215 11.083 1.00 0.00 O +ATOM 6914 H1 TIP3A2305 9.128 9.431 11.700 1.00 0.00 H +ATOM 6915 H2 TIP3A2305 7.863 8.610 11.562 1.00 0.00 H +ATOM 6916 O1 TIP3A2306 52.345 30.382 4.148 1.00 0.00 O +ATOM 6917 H1 TIP3A2306 51.574 30.110 4.645 1.00 0.00 H +ATOM 6918 H2 TIP3A2306 52.153 30.124 3.246 1.00 0.00 H +ATOM 6919 O1 TIP3A2307 20.780 34.353 51.846 1.00 0.00 O +ATOM 6920 H1 TIP3A2307 20.600 34.412 52.784 1.00 0.00 H +ATOM 6921 H2 TIP3A2307 21.727 34.475 51.775 1.00 0.00 H +ATOM 6922 O1 TIP3A2308 3.885 53.644 1.342 1.00 0.00 O +ATOM 6923 H1 TIP3A2308 4.768 53.308 1.489 1.00 0.00 H +ATOM 6924 H2 TIP3A2308 3.665 53.361 0.453 1.00 0.00 H +ATOM 6925 O1 TIP3A2309 18.317 10.634 57.252 1.00 0.00 O +ATOM 6926 H1 TIP3A2309 17.984 10.119 57.986 1.00 0.00 H +ATOM 6927 H2 TIP3A2309 17.864 10.282 56.486 1.00 0.00 H +ATOM 6928 O1 TIP3A2310 27.373 19.615 23.817 1.00 0.00 O +ATOM 6929 H1 TIP3A2310 27.213 19.036 23.072 1.00 0.00 H +ATOM 6930 H2 TIP3A2310 26.630 19.467 24.401 1.00 0.00 H +ATOM 6931 O1 TIP3A2311 26.016 10.804 12.932 1.00 0.00 O +ATOM 6932 H1 TIP3A2311 26.237 9.913 12.663 1.00 0.00 H +ATOM 6933 H2 TIP3A2311 26.823 11.145 13.319 1.00 0.00 H +ATOM 6934 O1 TIP3A2312 55.206 28.293 47.056 1.00 0.00 O +ATOM 6935 H1 TIP3A2312 55.500 28.860 46.343 1.00 0.00 H +ATOM 6936 H2 TIP3A2312 54.732 27.585 46.619 1.00 0.00 H +ATOM 6937 O1 TIP3A2313 52.352 12.285 17.983 1.00 0.00 O +ATOM 6938 H1 TIP3A2313 52.173 11.345 17.956 1.00 0.00 H +ATOM 6939 H2 TIP3A2313 52.154 12.592 17.097 1.00 0.00 H +ATOM 6940 O1 TIP3A2314 40.495 8.734 13.692 1.00 0.00 O +ATOM 6941 H1 TIP3A2314 40.997 9.533 13.530 1.00 0.00 H +ATOM 6942 H2 TIP3A2314 39.838 8.991 14.339 1.00 0.00 H +ATOM 6943 O1 TIP3A2315 12.297 55.059 18.258 1.00 0.00 O +ATOM 6944 H1 TIP3A2315 12.476 55.955 18.541 1.00 0.00 H +ATOM 6945 H2 TIP3A2315 12.654 55.011 17.371 1.00 0.00 H +ATOM 6946 O1 TIP3A2316 11.494 1.471 57.998 1.00 0.00 O +ATOM 6947 H1 TIP3A2316 12.155 2.100 57.712 1.00 0.00 H +ATOM 6948 H2 TIP3A2316 10.679 1.781 57.601 1.00 0.00 H +ATOM 6949 O1 TIP3A2317 36.374 12.092 50.593 1.00 0.00 O +ATOM 6950 H1 TIP3A2317 36.874 12.730 50.084 1.00 0.00 H +ATOM 6951 H2 TIP3A2317 35.462 12.248 50.345 1.00 0.00 H +ATOM 6952 O1 TIP3A2318 12.098 25.517 3.854 1.00 0.00 O +ATOM 6953 H1 TIP3A2318 12.005 24.589 3.641 1.00 0.00 H +ATOM 6954 H2 TIP3A2318 11.368 25.942 3.402 1.00 0.00 H +ATOM 6955 O1 TIP3A2319 57.502 52.630 2.931 1.00 0.00 O +ATOM 6956 H1 TIP3A2319 58.000 52.074 2.332 1.00 0.00 H +ATOM 6957 H2 TIP3A2319 57.934 52.519 3.778 1.00 0.00 H +ATOM 6958 O1 TIP3A2320 40.618 47.138 27.727 1.00 0.00 O +ATOM 6959 H1 TIP3A2320 39.740 47.388 27.442 1.00 0.00 H +ATOM 6960 H2 TIP3A2320 40.604 46.180 27.735 1.00 0.00 H +ATOM 6961 O1 TIP3A2321 44.235 25.090 50.270 1.00 0.00 O +ATOM 6962 H1 TIP3A2321 44.403 24.547 49.500 1.00 0.00 H +ATOM 6963 H2 TIP3A2321 44.843 24.762 50.933 1.00 0.00 H +ATOM 6964 O1 TIP3A2322 7.855 18.168 28.827 1.00 0.00 O +ATOM 6965 H1 TIP3A2322 7.023 17.698 28.795 1.00 0.00 H +ATOM 6966 H2 TIP3A2322 8.028 18.412 27.917 1.00 0.00 H +ATOM 6967 O1 TIP3A2323 34.549 28.105 14.205 1.00 0.00 O +ATOM 6968 H1 TIP3A2323 34.994 27.452 14.743 1.00 0.00 H +ATOM 6969 H2 TIP3A2323 33.899 28.496 14.791 1.00 0.00 H +ATOM 6970 O1 TIP3A2324 16.101 44.419 24.068 1.00 0.00 O +ATOM 6971 H1 TIP3A2324 16.385 43.529 23.862 1.00 0.00 H +ATOM 6972 H2 TIP3A2324 15.247 44.308 24.486 1.00 0.00 H +ATOM 6973 O1 TIP3A2325 9.799 9.848 52.974 1.00 0.00 O +ATOM 6974 H1 TIP3A2325 9.591 8.915 52.939 1.00 0.00 H +ATOM 6975 H2 TIP3A2325 10.447 9.924 53.675 1.00 0.00 H +ATOM 6976 O1 TIP3A2326 46.748 8.508 45.700 1.00 0.00 O +ATOM 6977 H1 TIP3A2326 46.684 9.237 46.316 1.00 0.00 H +ATOM 6978 H2 TIP3A2326 46.865 8.924 44.846 1.00 0.00 H +ATOM 6979 O1 TIP3A2327 43.413 15.634 34.313 1.00 0.00 O +ATOM 6980 H1 TIP3A2327 43.862 15.632 33.468 1.00 0.00 H +ATOM 6981 H2 TIP3A2327 44.114 15.741 34.957 1.00 0.00 H +ATOM 6982 O1 TIP3A2328 36.437 25.254 22.422 1.00 0.00 O +ATOM 6983 H1 TIP3A2328 37.289 25.685 22.365 1.00 0.00 H +ATOM 6984 H2 TIP3A2328 36.437 24.835 23.284 1.00 0.00 H +ATOM 6985 O1 TIP3A2329 32.848 30.173 22.399 1.00 0.00 O +ATOM 6986 H1 TIP3A2329 32.208 30.140 21.688 1.00 0.00 H +ATOM 6987 H2 TIP3A2329 33.607 29.696 22.062 1.00 0.00 H +ATOM 6988 O1 TIP3A2330 3.309 32.446 15.933 1.00 0.00 O +ATOM 6989 H1 TIP3A2330 3.474 31.503 15.948 1.00 0.00 H +ATOM 6990 H2 TIP3A2330 3.920 32.806 16.577 1.00 0.00 H +ATOM 6991 O1 TIP3A2331 28.287 55.024 44.863 1.00 0.00 O +ATOM 6992 H1 TIP3A2331 29.244 55.022 44.891 1.00 0.00 H +ATOM 6993 H2 TIP3A2331 28.031 55.735 45.450 1.00 0.00 H +ATOM 6994 O1 TIP3A2332 10.220 47.452 52.714 1.00 0.00 O +ATOM 6995 H1 TIP3A2332 10.268 47.981 51.918 1.00 0.00 H +ATOM 6996 H2 TIP3A2332 9.571 47.898 53.259 1.00 0.00 H +ATOM 6997 O1 TIP3A2333 38.423 29.140 27.987 1.00 0.00 O +ATOM 6998 H1 TIP3A2333 39.127 28.883 27.393 1.00 0.00 H +ATOM 6999 H2 TIP3A2333 38.552 30.079 28.121 1.00 0.00 H +ATOM 7000 O1 TIP3A2334 48.667 43.668 54.763 1.00 0.00 O +ATOM 7001 H1 TIP3A2334 48.286 44.436 55.186 1.00 0.00 H +ATOM 7002 H2 TIP3A2334 48.612 42.977 55.424 1.00 0.00 H +ATOM 7003 O1 TIP3A2335 36.942 52.833 8.210 1.00 0.00 O +ATOM 7004 H1 TIP3A2335 37.590 52.660 7.527 1.00 0.00 H +ATOM 7005 H2 TIP3A2335 36.638 53.724 8.032 1.00 0.00 H +ATOM 7006 O1 TIP3A2336 53.424 3.508 37.197 1.00 0.00 O +ATOM 7007 H1 TIP3A2336 53.428 4.311 36.676 1.00 0.00 H +ATOM 7008 H2 TIP3A2336 54.320 3.177 37.133 1.00 0.00 H +ATOM 7009 O1 TIP3A2337 45.990 32.806 39.796 1.00 0.00 O +ATOM 7010 H1 TIP3A2337 45.334 32.452 40.396 1.00 0.00 H +ATOM 7011 H2 TIP3A2337 46.567 32.066 39.606 1.00 0.00 H +ATOM 7012 O1 TIP3A2338 7.001 22.021 20.416 1.00 0.00 O +ATOM 7013 H1 TIP3A2338 7.105 21.615 19.557 1.00 0.00 H +ATOM 7014 H2 TIP3A2338 6.247 22.604 20.318 1.00 0.00 H +ATOM 7015 O1 TIP3A2339 49.585 23.568 36.276 1.00 0.00 O +ATOM 7016 H1 TIP3A2339 49.578 23.743 37.216 1.00 0.00 H +ATOM 7017 H2 TIP3A2339 49.914 22.672 36.200 1.00 0.00 H +ATOM 7018 O1 TIP3A2340 37.080 46.769 32.089 1.00 0.00 O +ATOM 7019 H1 TIP3A2340 37.403 46.506 32.950 1.00 0.00 H +ATOM 7020 H2 TIP3A2340 37.862 47.055 31.615 1.00 0.00 H +ATOM 7021 O1 TIP3A2341 6.073 28.265 0.548 1.00 0.00 O +ATOM 7022 H1 TIP3A2341 5.507 27.531 0.311 1.00 0.00 H +ATOM 7023 H2 TIP3A2341 5.769 28.989 -0.000 1.00 0.00 H +ATOM 7024 O1 TIP3A2342 27.336 39.047 8.197 1.00 0.00 O +ATOM 7025 H1 TIP3A2342 27.943 39.212 8.918 1.00 0.00 H +ATOM 7026 H2 TIP3A2342 27.364 38.098 8.073 1.00 0.00 H +ATOM 7027 O1 TIP3A2343 33.487 5.366 13.173 1.00 0.00 O +ATOM 7028 H1 TIP3A2343 33.782 5.067 14.033 1.00 0.00 H +ATOM 7029 H2 TIP3A2343 32.547 5.184 13.165 1.00 0.00 H +ATOM 7030 O1 TIP3A2344 46.801 40.235 28.696 1.00 0.00 O +ATOM 7031 H1 TIP3A2344 46.719 40.272 27.744 1.00 0.00 H +ATOM 7032 H2 TIP3A2344 46.536 39.344 28.926 1.00 0.00 H +ATOM 7033 O1 TIP3A2345 18.606 42.436 23.354 1.00 0.00 O +ATOM 7034 H1 TIP3A2345 18.384 41.511 23.452 1.00 0.00 H +ATOM 7035 H2 TIP3A2345 18.092 42.727 22.600 1.00 0.00 H +ATOM 7036 O1 TIP3A2346 8.664 57.768 47.907 1.00 0.00 O +ATOM 7037 H1 TIP3A2346 9.142 56.939 47.924 1.00 0.00 H +ATOM 7038 H2 TIP3A2346 8.145 57.730 47.103 1.00 0.00 H +ATOM 7039 O1 TIP3A2347 51.031 32.381 41.767 1.00 0.00 O +ATOM 7040 H1 TIP3A2347 50.543 31.578 41.945 1.00 0.00 H +ATOM 7041 H2 TIP3A2347 50.640 32.728 40.965 1.00 0.00 H +ATOM 7042 O1 TIP3A2348 27.753 39.741 36.241 1.00 0.00 O +ATOM 7043 H1 TIP3A2348 27.573 38.941 36.734 1.00 0.00 H +ATOM 7044 H2 TIP3A2348 27.249 40.420 36.691 1.00 0.00 H +ATOM 7045 O1 TIP3A2349 32.595 40.998 55.310 1.00 0.00 O +ATOM 7046 H1 TIP3A2349 32.496 41.083 56.258 1.00 0.00 H +ATOM 7047 H2 TIP3A2349 31.770 41.326 54.952 1.00 0.00 H +ATOM 7048 O1 TIP3A2350 18.102 25.691 41.765 1.00 0.00 O +ATOM 7049 H1 TIP3A2350 17.929 26.622 41.629 1.00 0.00 H +ATOM 7050 H2 TIP3A2350 18.934 25.533 41.318 1.00 0.00 H +ATOM 7051 O1 TIP3A2351 10.408 31.311 21.196 1.00 0.00 O +ATOM 7052 H1 TIP3A2351 10.161 32.143 21.599 1.00 0.00 H +ATOM 7053 H2 TIP3A2351 11.299 31.454 20.877 1.00 0.00 H +ATOM 7054 O1 TIP3A2352 46.811 27.572 33.459 1.00 0.00 O +ATOM 7055 H1 TIP3A2352 46.801 26.615 33.472 1.00 0.00 H +ATOM 7056 H2 TIP3A2352 45.920 27.818 33.208 1.00 0.00 H +ATOM 7057 O1 TIP3A2353 52.445 6.676 46.611 1.00 0.00 O +ATOM 7058 H1 TIP3A2353 51.802 7.274 46.990 1.00 0.00 H +ATOM 7059 H2 TIP3A2353 53.010 7.237 46.078 1.00 0.00 H +ATOM 7060 O1 TIP3A2354 49.364 9.732 34.389 1.00 0.00 O +ATOM 7061 H1 TIP3A2354 49.897 8.938 34.408 1.00 0.00 H +ATOM 7062 H2 TIP3A2354 49.762 10.304 35.046 1.00 0.00 H +ATOM 7063 O1 TIP3A2355 18.271 15.182 19.272 1.00 0.00 O +ATOM 7064 H1 TIP3A2355 18.943 15.851 19.400 1.00 0.00 H +ATOM 7065 H2 TIP3A2355 17.455 15.676 19.180 1.00 0.00 H +ATOM 7066 O1 TIP3A2356 22.894 56.431 14.341 1.00 0.00 O +ATOM 7067 H1 TIP3A2356 21.950 56.555 14.438 1.00 0.00 H +ATOM 7068 H2 TIP3A2356 23.097 55.684 14.905 1.00 0.00 H +ATOM 7069 O1 TIP3A2357 0.061 33.784 38.624 1.00 0.00 O +ATOM 7070 H1 TIP3A2357 -0.000 32.913 39.016 1.00 0.00 H +ATOM 7071 H2 TIP3A2357 0.057 34.384 39.371 1.00 0.00 H +ATOM 7072 O1 TIP3A2358 26.473 0.332 0.670 1.00 0.00 O +ATOM 7073 H1 TIP3A2358 27.264 0.869 0.683 1.00 0.00 H +ATOM 7074 H2 TIP3A2358 25.781 0.930 0.387 1.00 0.00 H +ATOM 7075 O1 TIP3A2359 41.075 11.499 57.144 1.00 0.00 O +ATOM 7076 H1 TIP3A2359 41.310 10.593 56.949 1.00 0.00 H +ATOM 7077 H2 TIP3A2359 40.341 11.430 57.756 1.00 0.00 H +ATOM 7078 O1 TIP3A2360 8.138 39.448 53.832 1.00 0.00 O +ATOM 7079 H1 TIP3A2360 7.225 39.723 53.761 1.00 0.00 H +ATOM 7080 H2 TIP3A2360 8.129 38.748 54.485 1.00 0.00 H +ATOM 7081 O1 TIP3A2361 46.809 27.795 29.308 1.00 0.00 O +ATOM 7082 H1 TIP3A2361 46.086 27.170 29.255 1.00 0.00 H +ATOM 7083 H2 TIP3A2361 47.395 27.429 29.971 1.00 0.00 H +ATOM 7084 O1 TIP3A2362 23.197 35.845 36.793 1.00 0.00 O +ATOM 7085 H1 TIP3A2362 23.952 36.432 36.821 1.00 0.00 H +ATOM 7086 H2 TIP3A2362 22.852 35.941 35.905 1.00 0.00 H +ATOM 7087 O1 TIP3A2363 38.892 33.038 2.569 1.00 0.00 O +ATOM 7088 H1 TIP3A2363 38.427 32.357 2.084 1.00 0.00 H +ATOM 7089 H2 TIP3A2363 39.356 32.565 3.261 1.00 0.00 H +ATOM 7090 O1 TIP3A2364 6.344 52.423 51.173 1.00 0.00 O +ATOM 7091 H1 TIP3A2364 6.732 52.568 52.035 1.00 0.00 H +ATOM 7092 H2 TIP3A2364 5.548 51.921 51.349 1.00 0.00 H +ATOM 7093 O1 TIP3A2365 36.422 36.399 40.368 1.00 0.00 O +ATOM 7094 H1 TIP3A2365 36.525 37.332 40.182 1.00 0.00 H +ATOM 7095 H2 TIP3A2365 36.793 35.959 39.603 1.00 0.00 H +ATOM 7096 O1 TIP3A2366 22.120 35.801 18.156 1.00 0.00 O +ATOM 7097 H1 TIP3A2366 21.214 35.801 18.464 1.00 0.00 H +ATOM 7098 H2 TIP3A2366 22.317 36.724 17.992 1.00 0.00 H +ATOM 7099 O1 TIP3A2367 47.080 12.711 46.390 1.00 0.00 O +ATOM 7100 H1 TIP3A2367 47.295 11.932 45.878 1.00 0.00 H +ATOM 7101 H2 TIP3A2367 46.227 12.991 46.056 1.00 0.00 H +ATOM 7102 O1 TIP3A2368 35.896 43.520 36.270 1.00 0.00 O +ATOM 7103 H1 TIP3A2368 35.126 43.926 36.667 1.00 0.00 H +ATOM 7104 H2 TIP3A2368 36.156 44.126 35.575 1.00 0.00 H +ATOM 7105 O1 TIP3A2369 29.829 7.450 52.294 1.00 0.00 O +ATOM 7106 H1 TIP3A2369 29.590 7.988 51.540 1.00 0.00 H +ATOM 7107 H2 TIP3A2369 30.240 6.673 51.915 1.00 0.00 H +ATOM 7108 O1 TIP3A2370 56.903 31.230 52.386 1.00 0.00 O +ATOM 7109 H1 TIP3A2370 56.985 31.718 51.567 1.00 0.00 H +ATOM 7110 H2 TIP3A2370 56.587 31.875 53.019 1.00 0.00 H +ATOM 7111 O1 TIP3A2371 51.094 26.873 24.289 1.00 0.00 O +ATOM 7112 H1 TIP3A2371 50.572 26.737 25.080 1.00 0.00 H +ATOM 7113 H2 TIP3A2371 50.890 26.120 23.734 1.00 0.00 H +ATOM 7114 O1 TIP3A2372 48.005 25.806 23.430 1.00 0.00 O +ATOM 7115 H1 TIP3A2372 48.647 25.142 23.182 1.00 0.00 H +ATOM 7116 H2 TIP3A2372 47.205 25.312 23.608 1.00 0.00 H +ATOM 7117 O1 TIP3A2373 41.807 5.416 18.818 1.00 0.00 O +ATOM 7118 H1 TIP3A2373 42.441 5.600 19.509 1.00 0.00 H +ATOM 7119 H2 TIP3A2373 41.144 6.100 18.912 1.00 0.00 H +ATOM 7120 O1 TIP3A2374 25.113 42.103 16.439 1.00 0.00 O +ATOM 7121 H1 TIP3A2374 24.451 42.250 15.764 1.00 0.00 H +ATOM 7122 H2 TIP3A2374 25.776 42.774 16.275 1.00 0.00 H +ATOM 7123 O1 TIP3A2375 45.565 53.715 37.854 1.00 0.00 O +ATOM 7124 H1 TIP3A2375 46.095 53.474 37.094 1.00 0.00 H +ATOM 7125 H2 TIP3A2375 45.703 54.658 37.953 1.00 0.00 H +ATOM 7126 O1 TIP3A2376 45.115 24.655 33.935 1.00 0.00 O +ATOM 7127 H1 TIP3A2376 44.906 25.586 33.998 1.00 0.00 H +ATOM 7128 H2 TIP3A2376 45.825 24.612 33.293 1.00 0.00 H +ATOM 7129 O1 TIP3A2377 45.359 12.159 39.407 1.00 0.00 O +ATOM 7130 H1 TIP3A2377 46.298 12.209 39.580 1.00 0.00 H +ATOM 7131 H2 TIP3A2377 44.949 12.416 40.234 1.00 0.00 H +ATOM 7132 O1 TIP3A2378 42.247 9.344 38.277 1.00 0.00 O +ATOM 7133 H1 TIP3A2378 42.901 8.668 38.453 1.00 0.00 H +ATOM 7134 H2 TIP3A2378 41.823 9.495 39.122 1.00 0.00 H +ATOM 7135 O1 TIP3A2379 56.640 18.602 17.458 1.00 0.00 O +ATOM 7136 H1 TIP3A2379 55.950 18.691 16.802 1.00 0.00 H +ATOM 7137 H2 TIP3A2379 56.337 17.895 18.030 1.00 0.00 H +ATOM 7138 O1 TIP3A2380 57.676 23.522 45.677 1.00 0.00 O +ATOM 7139 H1 TIP3A2380 58.000 24.411 45.821 1.00 0.00 H +ATOM 7140 H2 TIP3A2380 57.037 23.383 46.377 1.00 0.00 H +ATOM 7141 O1 TIP3A2381 42.145 30.080 11.495 1.00 0.00 O +ATOM 7142 H1 TIP3A2381 41.397 30.675 11.530 1.00 0.00 H +ATOM 7143 H2 TIP3A2381 42.790 30.537 10.954 1.00 0.00 H +ATOM 7144 O1 TIP3A2382 45.766 56.394 52.795 1.00 0.00 O +ATOM 7145 H1 TIP3A2382 45.501 55.524 53.091 1.00 0.00 H +ATOM 7146 H2 TIP3A2382 45.765 56.334 51.839 1.00 0.00 H +ATOM 7147 O1 TIP3A2383 41.176 12.547 24.641 1.00 0.00 O +ATOM 7148 H1 TIP3A2383 41.600 11.695 24.543 1.00 0.00 H +ATOM 7149 H2 TIP3A2383 41.647 12.968 25.361 1.00 0.00 H +ATOM 7150 O1 TIP3A2384 27.568 50.753 5.929 1.00 0.00 O +ATOM 7151 H1 TIP3A2384 27.087 50.407 5.178 1.00 0.00 H +ATOM 7152 H2 TIP3A2384 28.444 50.374 5.847 1.00 0.00 H +ATOM 7153 O1 TIP3A2385 42.551 54.610 53.423 1.00 0.00 O +ATOM 7154 H1 TIP3A2385 43.396 55.040 53.543 1.00 0.00 H +ATOM 7155 H2 TIP3A2385 42.762 53.780 52.994 1.00 0.00 H +ATOM 7156 O1 TIP3A2386 9.598 45.140 32.711 1.00 0.00 O +ATOM 7157 H1 TIP3A2386 9.773 44.206 32.597 1.00 0.00 H +ATOM 7158 H2 TIP3A2386 8.996 45.360 32.000 1.00 0.00 H +ATOM 7159 O1 TIP3A2387 4.931 6.494 10.230 1.00 0.00 O +ATOM 7160 H1 TIP3A2387 4.925 6.315 9.291 1.00 0.00 H +ATOM 7161 H2 TIP3A2387 4.790 5.639 10.639 1.00 0.00 H +ATOM 7162 O1 TIP3A2388 25.877 49.656 30.087 1.00 0.00 O +ATOM 7163 H1 TIP3A2388 25.776 50.540 29.735 1.00 0.00 H +ATOM 7164 H2 TIP3A2388 26.746 49.656 30.488 1.00 0.00 H +ATOM 7165 O1 TIP3A2389 55.172 21.605 13.661 1.00 0.00 O +ATOM 7166 H1 TIP3A2389 54.410 21.899 13.163 1.00 0.00 H +ATOM 7167 H2 TIP3A2389 55.778 22.347 13.634 1.00 0.00 H +ATOM 7168 O1 TIP3A2390 50.293 26.153 1.296 1.00 0.00 O +ATOM 7169 H1 TIP3A2390 50.083 27.086 1.334 1.00 0.00 H +ATOM 7170 H2 TIP3A2390 49.758 25.759 1.986 1.00 0.00 H +ATOM 7171 O1 TIP3A2391 50.561 15.676 21.095 1.00 0.00 O +ATOM 7172 H1 TIP3A2391 51.287 16.061 20.605 1.00 0.00 H +ATOM 7173 H2 TIP3A2391 49.775 16.013 20.662 1.00 0.00 H +ATOM 7174 O1 TIP3A2392 27.681 36.881 14.451 1.00 0.00 O +ATOM 7175 H1 TIP3A2392 28.590 36.729 14.194 1.00 0.00 H +ATOM 7176 H2 TIP3A2392 27.618 36.519 15.336 1.00 0.00 H +ATOM 7177 O1 TIP3A2393 0.388 10.179 29.660 1.00 0.00 O +ATOM 7178 H1 TIP3A2393 0.794 9.683 30.370 1.00 0.00 H +ATOM 7179 H2 TIP3A2393 0.460 9.607 28.896 1.00 0.00 H +ATOM 7180 O1 TIP3A2394 25.070 4.800 31.738 1.00 0.00 O +ATOM 7181 H1 TIP3A2394 24.114 4.775 31.767 1.00 0.00 H +ATOM 7182 H2 TIP3A2394 25.278 5.684 31.432 1.00 0.00 H +ATOM 7183 O1 TIP3A2395 40.331 20.853 23.794 1.00 0.00 O +ATOM 7184 H1 TIP3A2395 39.681 20.246 23.440 1.00 0.00 H +ATOM 7185 H2 TIP3A2395 40.410 20.610 24.717 1.00 0.00 H +ATOM 7186 O1 TIP3A2396 11.592 20.567 6.209 1.00 0.00 O +ATOM 7187 H1 TIP3A2396 10.972 21.054 6.750 1.00 0.00 H +ATOM 7188 H2 TIP3A2396 11.507 19.660 6.503 1.00 0.00 H +ATOM 7189 O1 TIP3A2397 25.316 35.820 46.524 1.00 0.00 O +ATOM 7190 H1 TIP3A2397 25.381 36.772 46.601 1.00 0.00 H +ATOM 7191 H2 TIP3A2397 24.591 35.582 47.103 1.00 0.00 H +ATOM 7192 O1 TIP3A2398 4.208 20.104 50.798 1.00 0.00 O +ATOM 7193 H1 TIP3A2398 4.670 20.811 50.348 1.00 0.00 H +ATOM 7194 H2 TIP3A2398 4.778 19.874 51.532 1.00 0.00 H +ATOM 7195 O1 TIP3A2399 7.238 18.323 32.846 1.00 0.00 O +ATOM 7196 H1 TIP3A2399 7.451 18.970 32.175 1.00 0.00 H +ATOM 7197 H2 TIP3A2399 7.264 18.813 33.669 1.00 0.00 H +ATOM 7198 O1 TIP3A2400 51.394 35.304 37.156 1.00 0.00 O +ATOM 7199 H1 TIP3A2400 52.151 34.870 36.764 1.00 0.00 H +ATOM 7200 H2 TIP3A2400 51.681 35.538 38.039 1.00 0.00 H +ATOM 7201 O1 TIP3A2401 7.553 29.112 36.227 1.00 0.00 O +ATOM 7202 H1 TIP3A2401 6.981 29.816 36.531 1.00 0.00 H +ATOM 7203 H2 TIP3A2401 7.233 28.908 35.347 1.00 0.00 H +ATOM 7204 O1 TIP3A2402 44.484 40.581 14.834 1.00 0.00 O +ATOM 7205 H1 TIP3A2402 44.983 39.798 14.604 1.00 0.00 H +ATOM 7206 H2 TIP3A2402 43.703 40.539 14.282 1.00 0.00 H +ATOM 7207 O1 TIP3A2403 53.039 53.328 24.081 1.00 0.00 O +ATOM 7208 H1 TIP3A2403 52.089 53.274 24.181 1.00 0.00 H +ATOM 7209 H2 TIP3A2403 53.374 52.565 24.552 1.00 0.00 H +ATOM 7210 O1 TIP3A2404 25.663 16.430 25.824 1.00 0.00 O +ATOM 7211 H1 TIP3A2404 25.813 15.669 25.263 1.00 0.00 H +ATOM 7212 H2 TIP3A2404 24.913 16.876 25.429 1.00 0.00 H +ATOM 7213 O1 TIP3A2405 55.226 2.516 5.263 1.00 0.00 O +ATOM 7214 H1 TIP3A2405 54.696 1.862 4.809 1.00 0.00 H +ATOM 7215 H2 TIP3A2405 56.130 2.235 5.120 1.00 0.00 H +ATOM 7216 O1 TIP3A2406 44.062 23.021 23.905 1.00 0.00 O +ATOM 7217 H1 TIP3A2406 44.362 23.031 22.997 1.00 0.00 H +ATOM 7218 H2 TIP3A2406 43.466 22.273 23.953 1.00 0.00 H +ATOM 7219 O1 TIP3A2407 8.144 3.619 17.024 1.00 0.00 O +ATOM 7220 H1 TIP3A2407 7.779 2.815 17.392 1.00 0.00 H +ATOM 7221 H2 TIP3A2407 7.390 4.202 16.927 1.00 0.00 H +ATOM 7222 O1 TIP3A2408 33.740 49.242 41.038 1.00 0.00 O +ATOM 7223 H1 TIP3A2408 34.169 49.773 41.709 1.00 0.00 H +ATOM 7224 H2 TIP3A2408 34.137 49.530 40.215 1.00 0.00 H +ATOM 7225 O1 TIP3A2409 7.292 45.992 45.615 1.00 0.00 O +ATOM 7226 H1 TIP3A2409 8.100 45.771 46.077 1.00 0.00 H +ATOM 7227 H2 TIP3A2409 6.693 45.275 45.823 1.00 0.00 H +ATOM 7228 O1 TIP3A2410 33.991 44.274 51.233 1.00 0.00 O +ATOM 7229 H1 TIP3A2410 34.812 43.783 51.271 1.00 0.00 H +ATOM 7230 H2 TIP3A2410 33.486 43.843 50.543 1.00 0.00 H +ATOM 7231 O1 TIP3A2411 40.992 57.284 54.201 1.00 0.00 O +ATOM 7232 H1 TIP3A2411 41.308 56.394 54.046 1.00 0.00 H +ATOM 7233 H2 TIP3A2411 41.620 57.657 54.821 1.00 0.00 H +ATOM 7234 O1 TIP3A2412 39.430 43.721 34.200 1.00 0.00 O +ATOM 7235 H1 TIP3A2412 39.835 44.491 34.598 1.00 0.00 H +ATOM 7236 H2 TIP3A2412 39.555 43.843 33.259 1.00 0.00 H +ATOM 7237 O1 TIP3A2413 6.811 14.398 29.585 1.00 0.00 O +ATOM 7238 H1 TIP3A2413 7.723 14.456 29.870 1.00 0.00 H +ATOM 7239 H2 TIP3A2413 6.802 13.678 28.954 1.00 0.00 H +ATOM 7240 O1 TIP3A2414 52.853 23.204 49.497 1.00 0.00 O +ATOM 7241 H1 TIP3A2414 53.503 23.709 49.984 1.00 0.00 H +ATOM 7242 H2 TIP3A2414 53.235 22.330 49.421 1.00 0.00 H +ATOM 7243 O1 TIP3A2415 21.752 10.190 52.148 1.00 0.00 O +ATOM 7244 H1 TIP3A2415 21.532 10.096 53.074 1.00 0.00 H +ATOM 7245 H2 TIP3A2415 22.360 9.472 51.971 1.00 0.00 H +ATOM 7246 O1 TIP3A2416 25.228 56.169 34.479 1.00 0.00 O +ATOM 7247 H1 TIP3A2416 25.432 55.243 34.358 1.00 0.00 H +ATOM 7248 H2 TIP3A2416 25.866 56.473 35.125 1.00 0.00 H +ATOM 7249 O1 TIP3A2417 12.282 5.847 6.532 1.00 0.00 O +ATOM 7250 H1 TIP3A2417 13.120 5.984 6.973 1.00 0.00 H +ATOM 7251 H2 TIP3A2417 11.638 6.264 7.106 1.00 0.00 H +ATOM 7252 O1 TIP3A2418 48.625 57.539 52.212 1.00 0.00 O +ATOM 7253 H1 TIP3A2418 49.390 57.679 52.769 1.00 0.00 H +ATOM 7254 H2 TIP3A2418 48.831 58.003 51.400 1.00 0.00 H +ATOM 7255 O1 TIP3A2419 58.021 9.568 4.531 1.00 0.00 O +ATOM 7256 H1 TIP3A2419 57.506 8.871 4.127 1.00 0.00 H +ATOM 7257 H2 TIP3A2419 57.781 10.357 4.045 1.00 0.00 H +ATOM 7258 O1 TIP3A2420 48.371 44.125 15.778 1.00 0.00 O +ATOM 7259 H1 TIP3A2420 47.672 43.958 16.409 1.00 0.00 H +ATOM 7260 H2 TIP3A2420 48.939 43.356 15.840 1.00 0.00 H +ATOM 7261 O1 TIP3A2421 21.733 13.373 12.710 1.00 0.00 O +ATOM 7262 H1 TIP3A2421 22.210 13.558 13.519 1.00 0.00 H +ATOM 7263 H2 TIP3A2421 21.211 14.161 12.554 1.00 0.00 H +ATOM 7264 O1 TIP3A2422 38.354 44.399 13.433 1.00 0.00 O +ATOM 7265 H1 TIP3A2422 39.117 44.151 12.912 1.00 0.00 H +ATOM 7266 H2 TIP3A2422 38.469 43.936 14.264 1.00 0.00 H +ATOM 7267 O1 TIP3A2423 27.114 42.144 43.083 1.00 0.00 O +ATOM 7268 H1 TIP3A2423 26.793 43.045 43.094 1.00 0.00 H +ATOM 7269 H2 TIP3A2423 27.850 42.159 42.471 1.00 0.00 H +ATOM 7270 O1 TIP3A2424 38.754 37.020 22.049 1.00 0.00 O +ATOM 7271 H1 TIP3A2424 38.770 36.878 22.995 1.00 0.00 H +ATOM 7272 H2 TIP3A2424 39.488 36.502 21.716 1.00 0.00 H +ATOM 7273 O1 TIP3A2425 9.241 29.576 46.053 1.00 0.00 O +ATOM 7274 H1 TIP3A2425 8.526 28.946 45.970 1.00 0.00 H +ATOM 7275 H2 TIP3A2425 9.856 29.163 46.659 1.00 0.00 H +ATOM 7276 O1 TIP3A2426 30.915 28.766 44.871 1.00 0.00 O +ATOM 7277 H1 TIP3A2426 31.613 28.472 44.285 1.00 0.00 H +ATOM 7278 H2 TIP3A2426 31.136 28.380 45.719 1.00 0.00 H +ATOM 7279 O1 TIP3A2427 57.361 38.316 10.594 1.00 0.00 O +ATOM 7280 H1 TIP3A2427 58.000 38.149 11.286 1.00 0.00 H +ATOM 7281 H2 TIP3A2427 56.834 39.044 10.926 1.00 0.00 H +ATOM 7282 O1 TIP3A2428 33.158 19.665 35.872 1.00 0.00 O +ATOM 7283 H1 TIP3A2428 32.998 18.722 35.853 1.00 0.00 H +ATOM 7284 H2 TIP3A2428 33.171 19.926 34.951 1.00 0.00 H +ATOM 7285 O1 TIP3A2429 35.228 39.299 42.060 1.00 0.00 O +ATOM 7286 H1 TIP3A2429 36.146 39.551 41.969 1.00 0.00 H +ATOM 7287 H2 TIP3A2429 34.950 39.073 41.172 1.00 0.00 H +ATOM 7288 O1 TIP3A2430 36.526 46.559 16.633 1.00 0.00 O +ATOM 7289 H1 TIP3A2430 36.286 47.216 15.981 1.00 0.00 H +ATOM 7290 H2 TIP3A2430 37.050 45.919 16.148 1.00 0.00 H +ATOM 7291 O1 TIP3A2431 0.782 20.864 23.210 1.00 0.00 O +ATOM 7292 H1 TIP3A2431 1.292 21.454 23.765 1.00 0.00 H +ATOM 7293 H2 TIP3A2431 0.836 21.251 22.335 1.00 0.00 H +ATOM 7294 O1 TIP3A2432 29.959 56.727 25.291 1.00 0.00 O +ATOM 7295 H1 TIP3A2432 30.306 57.611 25.173 1.00 0.00 H +ATOM 7296 H2 TIP3A2432 30.557 56.315 25.916 1.00 0.00 H +ATOM 7297 O1 TIP3A2433 24.316 39.592 8.245 1.00 0.00 O +ATOM 7298 H1 TIP3A2433 25.154 39.131 8.218 1.00 0.00 H +ATOM 7299 H2 TIP3A2433 23.740 39.075 7.681 1.00 0.00 H +ATOM 7300 O1 TIP3A2434 38.120 19.759 0.511 1.00 0.00 O +ATOM 7301 H1 TIP3A2434 37.340 19.773 1.065 1.00 0.00 H +ATOM 7302 H2 TIP3A2434 38.676 20.455 0.862 1.00 0.00 H +ATOM 7303 O1 TIP3A2435 33.437 28.559 52.367 1.00 0.00 O +ATOM 7304 H1 TIP3A2435 33.560 28.437 51.426 1.00 0.00 H +ATOM 7305 H2 TIP3A2435 34.259 28.258 52.757 1.00 0.00 H +ATOM 7306 O1 TIP3A2436 12.581 57.437 29.811 1.00 0.00 O +ATOM 7307 H1 TIP3A2436 13.227 57.953 30.293 1.00 0.00 H +ATOM 7308 H2 TIP3A2436 11.768 57.551 30.303 1.00 0.00 H +ATOM 7309 O1 TIP3A2437 50.155 24.622 54.010 1.00 0.00 O +ATOM 7310 H1 TIP3A2437 49.213 24.785 54.006 1.00 0.00 H +ATOM 7311 H2 TIP3A2437 50.267 23.877 54.602 1.00 0.00 H +ATOM 7312 O1 TIP3A2438 40.193 12.826 19.961 1.00 0.00 O +ATOM 7313 H1 TIP3A2438 40.045 12.020 20.454 1.00 0.00 H +ATOM 7314 H2 TIP3A2438 39.343 13.267 19.960 1.00 0.00 H +ATOM 7315 O1 TIP3A2439 39.084 2.792 52.828 1.00 0.00 O +ATOM 7316 H1 TIP3A2439 38.416 3.475 52.771 1.00 0.00 H +ATOM 7317 H2 TIP3A2439 39.725 3.027 52.156 1.00 0.00 H +ATOM 7318 O1 TIP3A2440 15.566 33.889 57.566 1.00 0.00 O +ATOM 7319 H1 TIP3A2440 14.889 34.396 58.012 1.00 0.00 H +ATOM 7320 H2 TIP3A2440 16.382 34.146 57.997 1.00 0.00 H +ATOM 7321 O1 TIP3A2441 52.182 22.325 37.715 1.00 0.00 O +ATOM 7322 H1 TIP3A2441 52.922 21.811 37.394 1.00 0.00 H +ATOM 7323 H2 TIP3A2441 52.047 22.996 37.045 1.00 0.00 H +ATOM 7324 O1 TIP3A2442 45.574 5.926 21.002 1.00 0.00 O +ATOM 7325 H1 TIP3A2442 44.964 5.204 20.854 1.00 0.00 H +ATOM 7326 H2 TIP3A2442 46.060 5.671 21.787 1.00 0.00 H +ATOM 7327 O1 TIP3A2443 55.372 45.978 2.233 1.00 0.00 O +ATOM 7328 H1 TIP3A2443 55.705 45.086 2.140 1.00 0.00 H +ATOM 7329 H2 TIP3A2443 55.976 46.397 2.847 1.00 0.00 H +ATOM 7330 O1 TIP3A2444 20.434 24.512 43.715 1.00 0.00 O +ATOM 7331 H1 TIP3A2444 21.049 25.211 43.933 1.00 0.00 H +ATOM 7332 H2 TIP3A2444 19.580 24.852 43.982 1.00 0.00 H +ATOM 7333 O1 TIP3A2445 30.899 23.487 4.763 1.00 0.00 O +ATOM 7334 H1 TIP3A2445 31.294 23.779 5.583 1.00 0.00 H +ATOM 7335 H2 TIP3A2445 31.478 23.831 4.081 1.00 0.00 H +ATOM 7336 O1 TIP3A2446 10.816 54.288 41.614 1.00 0.00 O +ATOM 7337 H1 TIP3A2446 11.351 53.644 41.151 1.00 0.00 H +ATOM 7338 H2 TIP3A2446 9.923 54.120 41.313 1.00 0.00 H +ATOM 7339 O1 TIP3A2447 40.579 46.857 56.109 1.00 0.00 O +ATOM 7340 H1 TIP3A2447 40.899 47.758 56.082 1.00 0.00 H +ATOM 7341 H2 TIP3A2447 40.816 46.492 55.255 1.00 0.00 H +ATOM 7342 O1 TIP3A2448 1.437 20.118 14.374 1.00 0.00 O +ATOM 7343 H1 TIP3A2448 1.283 19.310 14.863 1.00 0.00 H +ATOM 7344 H2 TIP3A2448 2.390 20.211 14.358 1.00 0.00 H +ATOM 7345 O1 TIP3A2449 11.568 28.290 45.495 1.00 0.00 O +ATOM 7346 H1 TIP3A2449 10.995 27.568 45.239 1.00 0.00 H +ATOM 7347 H2 TIP3A2449 12.018 27.974 46.279 1.00 0.00 H +ATOM 7348 O1 TIP3A2450 8.584 41.135 7.046 1.00 0.00 O +ATOM 7349 H1 TIP3A2450 8.770 40.198 7.009 1.00 0.00 H +ATOM 7350 H2 TIP3A2450 8.842 41.466 6.186 1.00 0.00 H +ATOM 7351 O1 TIP3A2451 5.294 3.052 11.182 1.00 0.00 O +ATOM 7352 H1 TIP3A2451 5.825 2.297 11.433 1.00 0.00 H +ATOM 7353 H2 TIP3A2451 5.663 3.781 11.681 1.00 0.00 H +ATOM 7354 O1 TIP3A2452 33.706 34.915 29.053 1.00 0.00 O +ATOM 7355 H1 TIP3A2452 34.030 34.374 28.334 1.00 0.00 H +ATOM 7356 H2 TIP3A2452 33.611 35.789 28.671 1.00 0.00 H +ATOM 7357 O1 TIP3A2453 28.337 51.655 29.332 1.00 0.00 O +ATOM 7358 H1 TIP3A2453 29.216 51.877 29.635 1.00 0.00 H +ATOM 7359 H2 TIP3A2453 28.480 51.078 28.581 1.00 0.00 H +ATOM 7360 O1 TIP3A2454 5.842 56.072 13.104 1.00 0.00 O +ATOM 7361 H1 TIP3A2454 6.720 55.750 12.901 1.00 0.00 H +ATOM 7362 H2 TIP3A2454 5.846 56.196 14.054 1.00 0.00 H +ATOM 7363 O1 TIP3A2455 27.681 26.294 22.207 1.00 0.00 O +ATOM 7364 H1 TIP3A2455 27.111 27.039 22.390 1.00 0.00 H +ATOM 7365 H2 TIP3A2455 27.863 26.355 21.269 1.00 0.00 H +ATOM 7366 O1 TIP3A2456 10.723 29.510 18.468 1.00 0.00 O +ATOM 7367 H1 TIP3A2456 10.867 28.630 18.815 1.00 0.00 H +ATOM 7368 H2 TIP3A2456 10.094 29.907 19.071 1.00 0.00 H +ATOM 7369 O1 TIP3A2457 42.009 0.350 2.224 1.00 0.00 O +ATOM 7370 H1 TIP3A2457 42.543 0.362 1.430 1.00 0.00 H +ATOM 7371 H2 TIP3A2457 42.603 0.637 2.918 1.00 0.00 H +ATOM 7372 O1 TIP3A2458 44.800 55.844 26.486 1.00 0.00 O +ATOM 7373 H1 TIP3A2458 44.574 56.190 25.624 1.00 0.00 H +ATOM 7374 H2 TIP3A2458 43.956 55.666 26.902 1.00 0.00 H +ATOM 7375 O1 TIP3A2459 48.559 47.176 7.618 1.00 0.00 O +ATOM 7376 H1 TIP3A2459 48.026 46.924 8.371 1.00 0.00 H +ATOM 7377 H2 TIP3A2459 48.783 48.094 7.778 1.00 0.00 H +ATOM 7378 O1 TIP3A2460 6.005 33.022 1.986 1.00 0.00 O +ATOM 7379 H1 TIP3A2460 5.440 32.491 1.425 1.00 0.00 H +ATOM 7380 H2 TIP3A2460 5.595 32.977 2.850 1.00 0.00 H +ATOM 7381 O1 TIP3A2461 37.395 17.397 7.500 1.00 0.00 O +ATOM 7382 H1 TIP3A2461 37.844 17.909 6.828 1.00 0.00 H +ATOM 7383 H2 TIP3A2461 38.079 17.180 8.134 1.00 0.00 H +ATOM 7384 O1 TIP3A2462 12.193 16.004 52.215 1.00 0.00 O +ATOM 7385 H1 TIP3A2462 11.630 15.702 51.503 1.00 0.00 H +ATOM 7386 H2 TIP3A2462 13.028 15.559 52.066 1.00 0.00 H +ATOM 7387 O1 TIP3A2463 4.174 12.515 13.683 1.00 0.00 O +ATOM 7388 H1 TIP3A2463 4.733 12.321 12.931 1.00 0.00 H +ATOM 7389 H2 TIP3A2463 4.718 13.058 14.253 1.00 0.00 H +ATOM 7390 O1 TIP3A2464 51.093 23.013 29.822 1.00 0.00 O +ATOM 7391 H1 TIP3A2464 51.149 23.326 30.725 1.00 0.00 H +ATOM 7392 H2 TIP3A2464 50.643 23.716 29.352 1.00 0.00 H +ATOM 7393 O1 TIP3A2465 32.196 31.396 31.603 1.00 0.00 O +ATOM 7394 H1 TIP3A2465 32.806 30.998 32.224 1.00 0.00 H +ATOM 7395 H2 TIP3A2465 31.385 31.507 32.101 1.00 0.00 H +ATOM 7396 O1 TIP3A2466 48.227 56.347 4.976 1.00 0.00 O +ATOM 7397 H1 TIP3A2466 48.692 57.156 4.763 1.00 0.00 H +ATOM 7398 H2 TIP3A2466 47.725 56.144 4.186 1.00 0.00 H +ATOM 7399 O1 TIP3A2467 16.757 31.764 48.826 1.00 0.00 O +ATOM 7400 H1 TIP3A2467 15.938 31.853 49.312 1.00 0.00 H +ATOM 7401 H2 TIP3A2467 17.124 30.931 49.124 1.00 0.00 H +ATOM 7402 O1 TIP3A2468 57.228 9.786 20.777 1.00 0.00 O +ATOM 7403 H1 TIP3A2468 57.545 10.683 20.885 1.00 0.00 H +ATOM 7404 H2 TIP3A2468 58.000 9.290 20.504 1.00 0.00 H +ATOM 7405 O1 TIP3A2469 6.121 47.144 51.980 1.00 0.00 O +ATOM 7406 H1 TIP3A2469 6.211 46.274 51.591 1.00 0.00 H +ATOM 7407 H2 TIP3A2469 7.015 47.482 52.021 1.00 0.00 H +ATOM 7408 O1 TIP3A2470 43.508 57.218 51.820 1.00 0.00 O +ATOM 7409 H1 TIP3A2470 44.085 57.906 52.151 1.00 0.00 H +ATOM 7410 H2 TIP3A2470 43.753 57.122 50.899 1.00 0.00 H +ATOM 7411 O1 TIP3A2471 3.187 57.433 21.987 1.00 0.00 O +ATOM 7412 H1 TIP3A2471 3.999 57.919 22.132 1.00 0.00 H +ATOM 7413 H2 TIP3A2471 3.465 56.520 21.905 1.00 0.00 H +ATOM 7414 O1 TIP3A2472 2.013 25.811 43.378 1.00 0.00 O +ATOM 7415 H1 TIP3A2472 2.454 24.985 43.183 1.00 0.00 H +ATOM 7416 H2 TIP3A2472 2.614 26.272 43.964 1.00 0.00 H +ATOM 7417 O1 TIP3A2473 27.714 22.844 50.161 1.00 0.00 O +ATOM 7418 H1 TIP3A2473 28.483 23.390 50.318 1.00 0.00 H +ATOM 7419 H2 TIP3A2473 27.597 22.861 49.211 1.00 0.00 H +ATOM 7420 O1 TIP3A2474 20.625 17.845 2.354 1.00 0.00 O +ATOM 7421 H1 TIP3A2474 21.415 18.384 2.376 1.00 0.00 H +ATOM 7422 H2 TIP3A2474 20.037 18.254 2.990 1.00 0.00 H +ATOM 7423 O1 TIP3A2475 45.808 9.182 36.844 1.00 0.00 O +ATOM 7424 H1 TIP3A2475 46.070 8.969 35.949 1.00 0.00 H +ATOM 7425 H2 TIP3A2475 45.675 8.332 37.264 1.00 0.00 H +ATOM 7426 O1 TIP3A2476 24.692 38.734 28.744 1.00 0.00 O +ATOM 7427 H1 TIP3A2476 24.652 39.459 29.367 1.00 0.00 H +ATOM 7428 H2 TIP3A2476 23.803 38.379 28.731 1.00 0.00 H +ATOM 7429 O1 TIP3A2477 51.598 52.188 34.861 1.00 0.00 O +ATOM 7430 H1 TIP3A2477 51.103 51.657 34.238 1.00 0.00 H +ATOM 7431 H2 TIP3A2477 51.598 53.067 34.479 1.00 0.00 H +ATOM 7432 O1 TIP3A2478 35.116 0.881 41.767 1.00 0.00 O +ATOM 7433 H1 TIP3A2478 34.591 1.676 41.861 1.00 0.00 H +ATOM 7434 H2 TIP3A2478 35.986 1.196 41.522 1.00 0.00 H +ATOM 7435 O1 TIP3A2479 36.561 47.734 50.895 1.00 0.00 O +ATOM 7436 H1 TIP3A2479 36.856 46.994 51.425 1.00 0.00 H +ATOM 7437 H2 TIP3A2479 36.238 47.336 50.086 1.00 0.00 H +ATOM 7438 O1 TIP3A2480 29.729 54.297 56.523 1.00 0.00 O +ATOM 7439 H1 TIP3A2480 30.645 54.487 56.720 1.00 0.00 H +ATOM 7440 H2 TIP3A2480 29.754 53.849 55.676 1.00 0.00 H +ATOM 7441 O1 TIP3A2481 7.495 31.053 17.804 1.00 0.00 O +ATOM 7442 H1 TIP3A2481 6.566 31.216 17.961 1.00 0.00 H +ATOM 7443 H2 TIP3A2481 7.635 30.153 18.100 1.00 0.00 H +ATOM 7444 O1 TIP3A2482 15.732 36.575 29.929 1.00 0.00 O +ATOM 7445 H1 TIP3A2482 15.725 37.325 29.335 1.00 0.00 H +ATOM 7446 H2 TIP3A2482 15.055 35.991 29.586 1.00 0.00 H +ATOM 7447 O1 TIP3A2483 43.686 42.766 50.850 1.00 0.00 O +ATOM 7448 H1 TIP3A2483 44.401 42.387 50.340 1.00 0.00 H +ATOM 7449 H2 TIP3A2483 43.059 43.073 50.193 1.00 0.00 H +ATOM 7450 O1 TIP3A2484 10.131 29.005 16.402 1.00 0.00 O +ATOM 7451 H1 TIP3A2484 9.298 29.187 15.967 1.00 0.00 H +ATOM 7452 H2 TIP3A2484 10.761 28.918 15.686 1.00 0.00 H +ATOM 7453 O1 TIP3A2485 13.540 37.079 33.578 1.00 0.00 O +ATOM 7454 H1 TIP3A2485 13.295 36.219 33.238 1.00 0.00 H +ATOM 7455 H2 TIP3A2485 13.269 37.693 32.895 1.00 0.00 H +ATOM 7456 O1 TIP3A2486 46.168 15.842 4.266 1.00 0.00 O +ATOM 7457 H1 TIP3A2486 45.371 15.322 4.174 1.00 0.00 H +ATOM 7458 H2 TIP3A2486 45.988 16.430 4.999 1.00 0.00 H +ATOM 7459 O1 TIP3A2487 36.461 53.207 51.236 1.00 0.00 O +ATOM 7460 H1 TIP3A2487 36.927 53.043 50.416 1.00 0.00 H +ATOM 7461 H2 TIP3A2487 35.574 53.445 50.964 1.00 0.00 H +ATOM 7462 O1 TIP3A2488 49.718 50.861 43.683 1.00 0.00 O +ATOM 7463 H1 TIP3A2488 49.189 50.683 44.460 1.00 0.00 H +ATOM 7464 H2 TIP3A2488 49.741 50.028 43.211 1.00 0.00 H +ATOM 7465 O1 TIP3A2489 33.841 24.472 19.104 1.00 0.00 O +ATOM 7466 H1 TIP3A2489 32.946 24.142 19.044 1.00 0.00 H +ATOM 7467 H2 TIP3A2489 34.353 23.725 19.415 1.00 0.00 H +ATOM 7468 O1 TIP3A2490 9.884 27.040 6.651 1.00 0.00 O +ATOM 7469 H1 TIP3A2490 10.717 26.570 6.677 1.00 0.00 H +ATOM 7470 H2 TIP3A2490 9.957 27.697 7.343 1.00 0.00 H +ATOM 7471 O1 TIP3A2491 7.077 23.164 8.627 1.00 0.00 O +ATOM 7472 H1 TIP3A2491 7.811 23.459 8.089 1.00 0.00 H +ATOM 7473 H2 TIP3A2491 6.962 22.243 8.393 1.00 0.00 H +ATOM 7474 O1 TIP3A2492 44.156 9.649 33.533 1.00 0.00 O +ATOM 7475 H1 TIP3A2492 43.301 9.892 33.887 1.00 0.00 H +ATOM 7476 H2 TIP3A2492 44.231 10.150 32.720 1.00 0.00 H +ATOM 7477 O1 TIP3A2493 10.416 16.998 40.809 1.00 0.00 O +ATOM 7478 H1 TIP3A2493 11.277 17.404 40.906 1.00 0.00 H +ATOM 7479 H2 TIP3A2493 10.024 17.444 40.057 1.00 0.00 H +ATOM 7480 O1 TIP3A2494 53.571 28.058 24.113 1.00 0.00 O +ATOM 7481 H1 TIP3A2494 53.768 27.560 23.320 1.00 0.00 H +ATOM 7482 H2 TIP3A2494 53.253 27.402 24.735 1.00 0.00 H +ATOM 7483 O1 TIP3A2495 57.180 45.848 16.864 1.00 0.00 O +ATOM 7484 H1 TIP3A2495 57.663 45.571 16.086 1.00 0.00 H +ATOM 7485 H2 TIP3A2495 57.169 45.073 17.427 1.00 0.00 H +ATOM 7486 O1 TIP3A2496 40.450 5.785 27.978 1.00 0.00 O +ATOM 7487 H1 TIP3A2496 40.955 4.974 28.027 1.00 0.00 H +ATOM 7488 H2 TIP3A2496 39.774 5.607 27.323 1.00 0.00 H +ATOM 7489 O1 TIP3A2497 40.083 3.167 36.835 1.00 0.00 O +ATOM 7490 H1 TIP3A2497 40.809 3.704 36.520 1.00 0.00 H +ATOM 7491 H2 TIP3A2497 39.546 3.768 37.352 1.00 0.00 H +ATOM 7492 O1 TIP3A2498 1.013 43.860 41.226 1.00 0.00 O +ATOM 7493 H1 TIP3A2498 1.841 43.381 41.260 1.00 0.00 H +ATOM 7494 H2 TIP3A2498 1.043 44.446 41.982 1.00 0.00 H +ATOM 7495 O1 TIP3A2499 46.343 28.146 40.156 1.00 0.00 O +ATOM 7496 H1 TIP3A2499 47.084 27.579 40.363 1.00 0.00 H +ATOM 7497 H2 TIP3A2499 46.176 28.630 40.966 1.00 0.00 H +ATOM 7498 O1 TIP3A2500 34.163 3.523 55.978 1.00 0.00 O +ATOM 7499 H1 TIP3A2500 34.840 3.297 56.614 1.00 0.00 H +ATOM 7500 H2 TIP3A2500 33.776 2.683 55.729 1.00 0.00 H +ATOM 7501 O1 TIP3A2501 29.541 23.736 15.784 1.00 0.00 O +ATOM 7502 H1 TIP3A2501 29.512 22.817 15.520 1.00 0.00 H +ATOM 7503 H2 TIP3A2501 30.393 23.837 16.209 1.00 0.00 H +ATOM 7504 O1 TIP3A2502 41.580 7.783 4.112 1.00 0.00 O +ATOM 7505 H1 TIP3A2502 41.343 8.508 3.534 1.00 0.00 H +ATOM 7506 H2 TIP3A2502 42.384 7.427 3.733 1.00 0.00 H +ATOM 7507 O1 TIP3A2503 32.767 43.434 52.911 1.00 0.00 O +ATOM 7508 H1 TIP3A2503 33.474 42.939 53.323 1.00 0.00 H +ATOM 7509 H2 TIP3A2503 31.992 43.225 53.433 1.00 0.00 H +ATOM 7510 O1 TIP3A2504 37.895 20.440 53.610 1.00 0.00 O +ATOM 7511 H1 TIP3A2504 38.410 21.227 53.787 1.00 0.00 H +ATOM 7512 H2 TIP3A2504 37.375 20.309 54.403 1.00 0.00 H +ATOM 7513 O1 TIP3A2505 53.016 47.097 27.244 1.00 0.00 O +ATOM 7514 H1 TIP3A2505 53.928 46.812 27.187 1.00 0.00 H +ATOM 7515 H2 TIP3A2505 53.013 47.755 27.939 1.00 0.00 H +ATOM 7516 O1 TIP3A2506 45.262 17.073 8.309 1.00 0.00 O +ATOM 7517 H1 TIP3A2506 45.060 17.345 9.204 1.00 0.00 H +ATOM 7518 H2 TIP3A2506 44.720 17.640 7.759 1.00 0.00 H +ATOM 7519 O1 TIP3A2507 47.930 43.534 50.862 1.00 0.00 O +ATOM 7520 H1 TIP3A2507 48.808 43.911 50.810 1.00 0.00 H +ATOM 7521 H2 TIP3A2507 47.955 42.784 50.267 1.00 0.00 H +ATOM 7522 O1 TIP3A2508 24.001 22.884 4.361 1.00 0.00 O +ATOM 7523 H1 TIP3A2508 23.216 23.289 3.992 1.00 0.00 H +ATOM 7524 H2 TIP3A2508 23.961 23.090 5.295 1.00 0.00 H +ATOM 7525 O1 TIP3A2509 51.717 39.833 34.026 1.00 0.00 O +ATOM 7526 H1 TIP3A2509 51.169 40.363 34.604 1.00 0.00 H +ATOM 7527 H2 TIP3A2509 51.916 40.410 33.289 1.00 0.00 H +ATOM 7528 O1 TIP3A2510 13.344 19.013 57.184 1.00 0.00 O +ATOM 7529 H1 TIP3A2510 12.924 18.648 56.405 1.00 0.00 H +ATOM 7530 H2 TIP3A2510 13.322 18.301 57.824 1.00 0.00 H +ATOM 7531 O1 TIP3A2511 12.142 49.759 33.732 1.00 0.00 O +ATOM 7532 H1 TIP3A2511 12.670 50.207 33.072 1.00 0.00 H +ATOM 7533 H2 TIP3A2511 11.389 49.420 33.248 1.00 0.00 H +ATOM 7534 O1 TIP3A2512 17.286 13.316 1.448 1.00 0.00 O +ATOM 7535 H1 TIP3A2512 16.434 12.947 1.220 1.00 0.00 H +ATOM 7536 H2 TIP3A2512 17.395 13.112 2.378 1.00 0.00 H +ATOM 7537 O1 TIP3A2513 42.439 50.798 51.149 1.00 0.00 O +ATOM 7538 H1 TIP3A2513 41.948 50.128 50.675 1.00 0.00 H +ATOM 7539 H2 TIP3A2513 42.528 51.518 50.523 1.00 0.00 H +ATOM 7540 O1 TIP3A2514 31.396 45.437 15.403 1.00 0.00 O +ATOM 7541 H1 TIP3A2514 32.238 45.509 14.955 1.00 0.00 H +ATOM 7542 H2 TIP3A2514 31.599 45.601 16.325 1.00 0.00 H +ATOM 7543 O1 TIP3A2515 26.326 28.406 53.992 1.00 0.00 O +ATOM 7544 H1 TIP3A2515 26.431 28.717 53.094 1.00 0.00 H +ATOM 7545 H2 TIP3A2515 25.380 28.311 54.105 1.00 0.00 H +ATOM 7546 O1 TIP3A2516 41.483 16.781 55.966 1.00 0.00 O +ATOM 7547 H1 TIP3A2516 40.649 17.172 55.710 1.00 0.00 H +ATOM 7548 H2 TIP3A2516 41.241 16.045 56.530 1.00 0.00 H +ATOM 7549 O1 TIP3A2517 48.315 17.826 21.644 1.00 0.00 O +ATOM 7550 H1 TIP3A2517 48.019 17.006 22.036 1.00 0.00 H +ATOM 7551 H2 TIP3A2517 49.112 18.049 22.126 1.00 0.00 H +ATOM 7552 O1 TIP3A2518 23.599 5.828 28.109 1.00 0.00 O +ATOM 7553 H1 TIP3A2518 24.334 5.507 27.587 1.00 0.00 H +ATOM 7554 H2 TIP3A2518 23.980 6.023 28.965 1.00 0.00 H +ATOM 7555 O1 TIP3A2519 37.829 46.908 35.891 1.00 0.00 O +ATOM 7556 H1 TIP3A2519 38.735 47.193 35.776 1.00 0.00 H +ATOM 7557 H2 TIP3A2519 37.401 47.126 35.063 1.00 0.00 H +ATOM 7558 O1 TIP3A2520 1.663 52.625 9.798 1.00 0.00 O +ATOM 7559 H1 TIP3A2520 2.333 52.022 10.118 1.00 0.00 H +ATOM 7560 H2 TIP3A2520 0.834 52.178 9.975 1.00 0.00 H +ATOM 7561 O1 TIP3A2521 14.161 28.017 50.969 1.00 0.00 O +ATOM 7562 H1 TIP3A2521 13.535 27.941 50.250 1.00 0.00 H +ATOM 7563 H2 TIP3A2521 13.727 27.597 51.712 1.00 0.00 H +ATOM 7564 O1 TIP3A2522 29.026 29.165 22.862 1.00 0.00 O +ATOM 7565 H1 TIP3A2522 29.408 28.289 22.830 1.00 0.00 H +ATOM 7566 H2 TIP3A2522 28.243 29.105 22.314 1.00 0.00 H +ATOM 7567 O1 TIP3A2523 27.611 18.156 39.842 1.00 0.00 O +ATOM 7568 H1 TIP3A2523 26.763 18.599 39.855 1.00 0.00 H +ATOM 7569 H2 TIP3A2523 27.442 17.300 40.237 1.00 0.00 H +ATOM 7570 O1 TIP3A2524 29.811 41.641 2.807 1.00 0.00 O +ATOM 7571 H1 TIP3A2524 30.159 41.842 1.939 1.00 0.00 H +ATOM 7572 H2 TIP3A2524 28.864 41.580 2.677 1.00 0.00 H +ATOM 7573 O1 TIP3A2525 6.713 25.465 47.208 1.00 0.00 O +ATOM 7574 H1 TIP3A2525 6.987 25.093 46.371 1.00 0.00 H +ATOM 7575 H2 TIP3A2525 5.967 26.024 46.990 1.00 0.00 H +ATOM 7576 O1 TIP3A2526 54.394 50.176 35.383 1.00 0.00 O +ATOM 7577 H1 TIP3A2526 54.955 50.806 34.931 1.00 0.00 H +ATOM 7578 H2 TIP3A2526 54.999 49.515 35.720 1.00 0.00 H +ATOM 7579 O1 TIP3A2527 34.130 10.452 24.482 1.00 0.00 O +ATOM 7580 H1 TIP3A2527 33.983 9.527 24.678 1.00 0.00 H +ATOM 7581 H2 TIP3A2527 33.596 10.620 23.705 1.00 0.00 H +ATOM 7582 O1 TIP3A2528 21.518 24.365 27.424 1.00 0.00 O +ATOM 7583 H1 TIP3A2528 20.800 24.622 26.846 1.00 0.00 H +ATOM 7584 H2 TIP3A2528 21.131 23.717 28.014 1.00 0.00 H +ATOM 7585 O1 TIP3A2529 44.790 1.270 36.752 1.00 0.00 O +ATOM 7586 H1 TIP3A2529 45.174 1.099 35.893 1.00 0.00 H +ATOM 7587 H2 TIP3A2529 45.523 1.578 37.286 1.00 0.00 H +ATOM 7588 O1 TIP3A2530 39.691 57.214 9.278 1.00 0.00 O +ATOM 7589 H1 TIP3A2530 39.311 57.959 8.813 1.00 0.00 H +ATOM 7590 H2 TIP3A2530 40.415 56.926 8.721 1.00 0.00 H +ATOM 7591 O1 TIP3A2531 23.571 32.889 36.966 1.00 0.00 O +ATOM 7592 H1 TIP3A2531 24.448 32.600 37.216 1.00 0.00 H +ATOM 7593 H2 TIP3A2531 23.407 33.659 37.511 1.00 0.00 H +ATOM 7594 O1 TIP3A2532 32.072 38.957 36.362 1.00 0.00 O +ATOM 7595 H1 TIP3A2532 32.629 38.541 37.020 1.00 0.00 H +ATOM 7596 H2 TIP3A2532 31.184 38.681 36.590 1.00 0.00 H +ATOM 7597 O1 TIP3A2533 38.526 51.111 19.830 1.00 0.00 O +ATOM 7598 H1 TIP3A2533 38.851 50.246 19.582 1.00 0.00 H +ATOM 7599 H2 TIP3A2533 37.621 50.958 20.103 1.00 0.00 H +ATOM 7600 O1 TIP3A2534 38.249 32.661 49.682 1.00 0.00 O +ATOM 7601 H1 TIP3A2534 38.370 33.508 49.253 1.00 0.00 H +ATOM 7602 H2 TIP3A2534 37.304 32.594 49.819 1.00 0.00 H +ATOM 7603 O1 TIP3A2535 7.703 3.639 51.743 1.00 0.00 O +ATOM 7604 H1 TIP3A2535 6.852 3.501 51.330 1.00 0.00 H +ATOM 7605 H2 TIP3A2535 7.646 4.516 52.125 1.00 0.00 H +ATOM 7606 O1 TIP3A2536 29.312 20.767 50.455 1.00 0.00 O +ATOM 7607 H1 TIP3A2536 29.271 20.258 49.646 1.00 0.00 H +ATOM 7608 H2 TIP3A2536 29.210 20.119 51.153 1.00 0.00 H +ATOM 7609 O1 TIP3A2537 34.667 2.363 45.025 1.00 0.00 O +ATOM 7610 H1 TIP3A2537 34.750 1.575 44.488 1.00 0.00 H +ATOM 7611 H2 TIP3A2537 34.036 2.909 44.554 1.00 0.00 H +ATOM 7612 O1 TIP3A2538 18.723 4.834 34.924 1.00 0.00 O +ATOM 7613 H1 TIP3A2538 17.783 4.672 35.002 1.00 0.00 H +ATOM 7614 H2 TIP3A2538 18.855 5.040 33.998 1.00 0.00 H +ATOM 7615 O1 TIP3A2539 43.749 53.852 51.016 1.00 0.00 O +ATOM 7616 H1 TIP3A2539 44.550 54.358 51.145 1.00 0.00 H +ATOM 7617 H2 TIP3A2539 43.989 53.180 50.377 1.00 0.00 H +ATOM 7618 O1 TIP3A2540 31.327 19.631 1.910 1.00 0.00 O +ATOM 7619 H1 TIP3A2540 31.253 18.743 1.560 1.00 0.00 H +ATOM 7620 H2 TIP3A2540 32.182 19.649 2.341 1.00 0.00 H +ATOM 7621 O1 TIP3A2541 1.256 55.018 0.892 1.00 0.00 O +ATOM 7622 H1 TIP3A2541 0.335 54.759 0.871 1.00 0.00 H +ATOM 7623 H2 TIP3A2541 1.659 54.419 1.522 1.00 0.00 H +ATOM 7624 O1 TIP3A2542 21.705 27.575 55.887 1.00 0.00 O +ATOM 7625 H1 TIP3A2542 21.511 26.678 56.158 1.00 0.00 H +ATOM 7626 H2 TIP3A2542 20.874 27.908 55.547 1.00 0.00 H +ATOM 7627 O1 TIP3A2543 22.482 32.081 47.564 1.00 0.00 O +ATOM 7628 H1 TIP3A2543 21.647 31.615 47.531 1.00 0.00 H +ATOM 7629 H2 TIP3A2543 22.995 31.609 48.221 1.00 0.00 H +ATOM 7630 O1 TIP3A2544 35.314 9.577 26.563 1.00 0.00 O +ATOM 7631 H1 TIP3A2544 34.569 9.290 27.090 1.00 0.00 H +ATOM 7632 H2 TIP3A2544 36.081 9.364 27.095 1.00 0.00 H +ATOM 7633 O1 TIP3A2545 8.071 30.919 44.543 1.00 0.00 O +ATOM 7634 H1 TIP3A2545 7.356 30.284 44.547 1.00 0.00 H +ATOM 7635 H2 TIP3A2545 7.814 31.573 45.193 1.00 0.00 H +ATOM 7636 O1 TIP3A2546 29.343 10.656 38.493 1.00 0.00 O +ATOM 7637 H1 TIP3A2546 28.614 10.865 37.910 1.00 0.00 H +ATOM 7638 H2 TIP3A2546 30.066 10.439 37.904 1.00 0.00 H +ATOM 7639 O1 TIP3A2547 24.348 9.774 1.730 1.00 0.00 O +ATOM 7640 H1 TIP3A2547 23.445 9.747 1.416 1.00 0.00 H +ATOM 7641 H2 TIP3A2547 24.287 10.159 2.605 1.00 0.00 H +ATOM 7642 O1 TIP3A2548 6.498 33.749 13.602 1.00 0.00 O +ATOM 7643 H1 TIP3A2548 7.038 34.526 13.743 1.00 0.00 H +ATOM 7644 H2 TIP3A2548 7.123 33.063 13.364 1.00 0.00 H +ATOM 7645 O1 TIP3A2549 20.044 23.198 32.934 1.00 0.00 O +ATOM 7646 H1 TIP3A2549 20.269 24.124 32.857 1.00 0.00 H +ATOM 7647 H2 TIP3A2549 19.330 23.177 33.573 1.00 0.00 H +ATOM 7648 O1 TIP3A2550 12.646 33.190 24.750 1.00 0.00 O +ATOM 7649 H1 TIP3A2550 13.309 33.735 24.326 1.00 0.00 H +ATOM 7650 H2 TIP3A2550 12.884 32.294 24.512 1.00 0.00 H +ATOM 7651 O1 TIP3A2551 6.894 5.570 2.115 1.00 0.00 O +ATOM 7652 H1 TIP3A2551 6.472 4.993 1.480 1.00 0.00 H +ATOM 7653 H2 TIP3A2551 7.219 4.980 2.797 1.00 0.00 H +ATOM 7654 O1 TIP3A2552 14.026 29.661 48.383 1.00 0.00 O +ATOM 7655 H1 TIP3A2552 13.499 29.688 47.585 1.00 0.00 H +ATOM 7656 H2 TIP3A2552 14.840 29.232 48.119 1.00 0.00 H +ATOM 7657 O1 TIP3A2553 19.214 38.115 2.161 1.00 0.00 O +ATOM 7658 H1 TIP3A2553 19.754 37.327 2.200 1.00 0.00 H +ATOM 7659 H2 TIP3A2553 18.338 37.819 2.409 1.00 0.00 H +ATOM 7660 O1 TIP3A2554 21.881 18.128 57.154 1.00 0.00 O +ATOM 7661 H1 TIP3A2554 21.080 18.631 57.008 1.00 0.00 H +ATOM 7662 H2 TIP3A2554 22.508 18.490 56.527 1.00 0.00 H +ATOM 7663 O1 TIP3A2555 38.093 6.915 3.620 1.00 0.00 O +ATOM 7664 H1 TIP3A2555 38.804 7.352 4.086 1.00 0.00 H +ATOM 7665 H2 TIP3A2555 37.523 6.577 4.312 1.00 0.00 H +ATOM 7666 O1 TIP3A2556 4.573 22.301 47.974 1.00 0.00 O +ATOM 7667 H1 TIP3A2556 3.961 21.588 48.151 1.00 0.00 H +ATOM 7668 H2 TIP3A2556 5.052 22.417 48.795 1.00 0.00 H +ATOM 7669 O1 TIP3A2557 51.578 48.179 53.872 1.00 0.00 O +ATOM 7670 H1 TIP3A2557 51.778 47.340 53.458 1.00 0.00 H +ATOM 7671 H2 TIP3A2557 50.662 48.344 53.650 1.00 0.00 H +ATOM 7672 O1 TIP3A2558 33.458 55.259 24.282 1.00 0.00 O +ATOM 7673 H1 TIP3A2558 34.094 55.382 23.578 1.00 0.00 H +ATOM 7674 H2 TIP3A2558 33.197 54.340 24.212 1.00 0.00 H +ATOM 7675 O1 TIP3A2559 15.329 17.427 24.118 1.00 0.00 O +ATOM 7676 H1 TIP3A2559 15.796 17.430 23.283 1.00 0.00 H +ATOM 7677 H2 TIP3A2559 15.818 18.038 24.669 1.00 0.00 H +ATOM 7678 O1 TIP3A2560 21.973 21.109 4.088 1.00 0.00 O +ATOM 7679 H1 TIP3A2560 21.300 20.431 4.153 1.00 0.00 H +ATOM 7680 H2 TIP3A2560 21.820 21.519 3.236 1.00 0.00 H +ATOM 7681 O1 TIP3A2561 52.857 29.298 47.451 1.00 0.00 O +ATOM 7682 H1 TIP3A2561 53.005 28.528 47.999 1.00 0.00 H +ATOM 7683 H2 TIP3A2561 53.630 29.846 47.593 1.00 0.00 H +ATOM 7684 O1 TIP3A2562 19.522 32.755 13.344 1.00 0.00 O +ATOM 7685 H1 TIP3A2562 18.827 33.320 13.008 1.00 0.00 H +ATOM 7686 H2 TIP3A2562 19.161 31.870 13.289 1.00 0.00 H +ATOM 7687 O1 TIP3A2563 34.688 51.713 36.707 1.00 0.00 O +ATOM 7688 H1 TIP3A2563 34.518 51.074 36.017 1.00 0.00 H +ATOM 7689 H2 TIP3A2563 35.550 52.073 36.494 1.00 0.00 H +ATOM 7690 O1 TIP3A2564 39.090 25.420 3.857 1.00 0.00 O +ATOM 7691 H1 TIP3A2564 38.692 25.468 4.725 1.00 0.00 H +ATOM 7692 H2 TIP3A2564 39.795 24.778 3.950 1.00 0.00 H +ATOM 7693 O1 TIP3A2565 38.175 36.910 0.598 1.00 0.00 O +ATOM 7694 H1 TIP3A2565 38.711 37.647 0.305 1.00 0.00 H +ATOM 7695 H2 TIP3A2565 38.393 36.200 -0.006 1.00 0.00 H +ATOM 7696 O1 TIP3A2566 0.679 30.892 4.693 1.00 0.00 O +ATOM 7697 H1 TIP3A2566 1.065 31.519 4.083 1.00 0.00 H +ATOM 7698 H2 TIP3A2566 0.622 30.076 4.195 1.00 0.00 H +ATOM 7699 O1 TIP3A2567 30.062 14.013 5.058 1.00 0.00 O +ATOM 7700 H1 TIP3A2567 30.901 14.346 5.373 1.00 0.00 H +ATOM 7701 H2 TIP3A2567 30.296 13.324 4.435 1.00 0.00 H +ATOM 7702 O1 TIP3A2568 26.152 8.898 3.217 1.00 0.00 O +ATOM 7703 H1 TIP3A2568 25.872 9.268 4.054 1.00 0.00 H +ATOM 7704 H2 TIP3A2568 26.513 9.642 2.734 1.00 0.00 H +ATOM 7705 O1 TIP3A2569 42.701 37.963 5.025 1.00 0.00 O +ATOM 7706 H1 TIP3A2569 43.525 37.485 4.942 1.00 0.00 H +ATOM 7707 H2 TIP3A2569 42.904 38.694 5.609 1.00 0.00 H +ATOM 7708 O1 TIP3A2570 29.549 5.312 4.153 1.00 0.00 O +ATOM 7709 H1 TIP3A2570 28.724 4.827 4.171 1.00 0.00 H +ATOM 7710 H2 TIP3A2570 30.088 4.894 4.825 1.00 0.00 H +ATOM 7711 O1 TIP3A2571 32.001 0.200 19.112 1.00 0.00 O +ATOM 7712 H1 TIP3A2571 31.756 -0.001 18.209 1.00 0.00 H +ATOM 7713 H2 TIP3A2571 32.876 0.584 19.043 1.00 0.00 H +ATOM 7714 O1 TIP3A2572 12.810 13.838 28.743 1.00 0.00 O +ATOM 7715 H1 TIP3A2572 13.711 13.523 28.818 1.00 0.00 H +ATOM 7716 H2 TIP3A2572 12.474 13.419 27.951 1.00 0.00 H +ATOM 7717 O1 TIP3A2573 51.881 23.506 10.740 1.00 0.00 O +ATOM 7718 H1 TIP3A2573 52.451 24.088 11.241 1.00 0.00 H +ATOM 7719 H2 TIP3A2573 51.962 23.810 9.836 1.00 0.00 H +ATOM 7720 O1 TIP3A2574 55.324 39.066 8.496 1.00 0.00 O +ATOM 7721 H1 TIP3A2574 55.345 39.989 8.747 1.00 0.00 H +ATOM 7722 H2 TIP3A2574 56.033 38.974 7.859 1.00 0.00 H +ATOM 7723 O1 TIP3A2575 44.530 29.180 20.079 1.00 0.00 O +ATOM 7724 H1 TIP3A2575 43.872 29.592 19.520 1.00 0.00 H +ATOM 7725 H2 TIP3A2575 45.342 29.646 19.877 1.00 0.00 H +ATOM 7726 O1 TIP3A2576 46.418 42.513 14.679 1.00 0.00 O +ATOM 7727 H1 TIP3A2576 46.263 42.234 15.581 1.00 0.00 H +ATOM 7728 H2 TIP3A2576 46.514 41.696 14.188 1.00 0.00 H +ATOM 7729 O1 TIP3A2577 13.193 9.572 27.785 1.00 0.00 O +ATOM 7730 H1 TIP3A2577 12.270 9.522 27.540 1.00 0.00 H +ATOM 7731 H2 TIP3A2577 13.667 9.454 26.962 1.00 0.00 H +ATOM 7732 O1 TIP3A2578 22.874 39.373 34.422 1.00 0.00 O +ATOM 7733 H1 TIP3A2578 23.716 39.258 34.861 1.00 0.00 H +ATOM 7734 H2 TIP3A2578 23.093 39.794 33.590 1.00 0.00 H +ATOM 7735 O1 TIP3A2579 30.251 34.193 52.869 1.00 0.00 O +ATOM 7736 H1 TIP3A2579 31.125 33.867 52.656 1.00 0.00 H +ATOM 7737 H2 TIP3A2579 29.709 33.406 52.931 1.00 0.00 H +ATOM 7738 O1 TIP3A2580 31.892 42.365 15.593 1.00 0.00 O +ATOM 7739 H1 TIP3A2580 31.895 42.793 14.737 1.00 0.00 H +ATOM 7740 H2 TIP3A2580 31.025 41.963 15.657 1.00 0.00 H +ATOM 7741 O1 TIP3A2581 35.262 -0.000 8.923 1.00 0.00 O +ATOM 7742 H1 TIP3A2581 35.444 0.767 9.464 1.00 0.00 H +ATOM 7743 H2 TIP3A2581 35.069 0.357 8.056 1.00 0.00 H +ATOM 7744 O1 TIP3A2582 32.392 41.286 33.679 1.00 0.00 O +ATOM 7745 H1 TIP3A2582 33.043 41.971 33.829 1.00 0.00 H +ATOM 7746 H2 TIP3A2582 31.871 41.270 34.482 1.00 0.00 H +ATOM 7747 O1 TIP3A2583 55.654 57.354 31.213 1.00 0.00 O +ATOM 7748 H1 TIP3A2583 56.148 57.199 32.018 1.00 0.00 H +ATOM 7749 H2 TIP3A2583 55.281 56.499 30.993 1.00 0.00 H +ATOM 7750 O1 TIP3A2584 22.549 43.625 1.225 1.00 0.00 O +ATOM 7751 H1 TIP3A2584 22.376 44.479 0.830 1.00 0.00 H +ATOM 7752 H2 TIP3A2584 23.461 43.675 1.515 1.00 0.00 H +ATOM 7753 O1 TIP3A2585 26.563 27.823 47.559 1.00 0.00 O +ATOM 7754 H1 TIP3A2585 25.979 28.290 46.963 1.00 0.00 H +ATOM 7755 H2 TIP3A2585 27.433 28.174 47.366 1.00 0.00 H +ATOM 7756 O1 TIP3A2586 17.125 21.902 0.635 1.00 0.00 O +ATOM 7757 H1 TIP3A2586 17.303 21.209 -0.001 1.00 0.00 H +ATOM 7758 H2 TIP3A2586 17.947 22.389 0.694 1.00 0.00 H +ATOM 7759 O1 TIP3A2587 53.566 41.709 44.316 1.00 0.00 O +ATOM 7760 H1 TIP3A2587 54.057 40.897 44.192 1.00 0.00 H +ATOM 7761 H2 TIP3A2587 52.761 41.581 43.814 1.00 0.00 H +ATOM 7762 O1 TIP3A2588 31.679 43.122 56.735 1.00 0.00 O +ATOM 7763 H1 TIP3A2588 30.893 42.582 56.814 1.00 0.00 H +ATOM 7764 H2 TIP3A2588 31.496 43.705 55.997 1.00 0.00 H +ATOM 7765 O1 TIP3A2589 18.955 16.422 33.630 1.00 0.00 O +ATOM 7766 H1 TIP3A2589 19.548 15.923 33.069 1.00 0.00 H +ATOM 7767 H2 TIP3A2589 19.164 16.132 34.518 1.00 0.00 H +ATOM 7768 O1 TIP3A2590 10.888 10.248 15.649 1.00 0.00 O +ATOM 7769 H1 TIP3A2590 10.590 9.571 15.043 1.00 0.00 H +ATOM 7770 H2 TIP3A2590 10.427 11.040 15.370 1.00 0.00 H +ATOM 7771 O1 TIP3A2591 40.908 18.522 10.076 1.00 0.00 O +ATOM 7772 H1 TIP3A2591 40.613 17.631 9.889 1.00 0.00 H +ATOM 7773 H2 TIP3A2591 40.725 18.646 11.008 1.00 0.00 H +ATOM 7774 O1 TIP3A2592 15.825 16.620 9.128 1.00 0.00 O +ATOM 7775 H1 TIP3A2592 16.047 15.705 9.298 1.00 0.00 H +ATOM 7776 H2 TIP3A2592 16.521 17.119 9.557 1.00 0.00 H +ATOM 7777 O1 TIP3A2593 27.464 40.562 24.624 1.00 0.00 O +ATOM 7778 H1 TIP3A2593 27.900 41.333 24.986 1.00 0.00 H +ATOM 7779 H2 TIP3A2593 27.799 39.831 25.144 1.00 0.00 H +ATOM 7780 O1 TIP3A2594 35.301 30.525 15.462 1.00 0.00 O +ATOM 7781 H1 TIP3A2594 36.156 30.218 15.760 1.00 0.00 H +ATOM 7782 H2 TIP3A2594 35.241 30.224 14.555 1.00 0.00 H +ATOM 7783 O1 TIP3A2595 54.670 4.841 17.898 1.00 0.00 O +ATOM 7784 H1 TIP3A2595 54.931 5.346 17.128 1.00 0.00 H +ATOM 7785 H2 TIP3A2595 54.462 5.503 18.559 1.00 0.00 H +ATOM 7786 O1 TIP3A2596 28.203 32.402 18.276 1.00 0.00 O +ATOM 7787 H1 TIP3A2596 28.556 31.640 18.732 1.00 0.00 H +ATOM 7788 H2 TIP3A2596 28.181 33.092 18.941 1.00 0.00 H +ATOM 7789 O1 TIP3A2597 36.162 13.321 5.481 1.00 0.00 O +ATOM 7790 H1 TIP3A2597 37.103 13.347 5.651 1.00 0.00 H +ATOM 7791 H2 TIP3A2597 35.902 12.426 5.702 1.00 0.00 H +ATOM 7792 O1 TIP3A2598 24.056 44.432 52.864 1.00 0.00 O +ATOM 7793 H1 TIP3A2598 23.446 43.763 52.554 1.00 0.00 H +ATOM 7794 H2 TIP3A2598 23.628 44.811 53.631 1.00 0.00 H +ATOM 7795 O1 TIP3A2599 35.907 11.549 23.784 1.00 0.00 O +ATOM 7796 H1 TIP3A2599 35.414 11.634 22.969 1.00 0.00 H +ATOM 7797 H2 TIP3A2599 36.356 10.706 23.706 1.00 0.00 H +ATOM 7798 O1 TIP3A2600 47.916 14.590 20.467 1.00 0.00 O +ATOM 7799 H1 TIP3A2600 47.086 15.066 20.488 1.00 0.00 H +ATOM 7800 H2 TIP3A2600 47.889 14.096 19.647 1.00 0.00 H +ATOM 7801 O1 TIP3A2601 15.268 50.903 49.852 1.00 0.00 O +ATOM 7802 H1 TIP3A2601 14.775 50.959 49.034 1.00 0.00 H +ATOM 7803 H2 TIP3A2601 14.720 51.355 50.494 1.00 0.00 H +ATOM 7804 O1 TIP3A2602 43.742 28.686 32.307 1.00 0.00 O +ATOM 7805 H1 TIP3A2602 42.846 28.940 32.089 1.00 0.00 H +ATOM 7806 H2 TIP3A2602 44.228 28.791 31.488 1.00 0.00 H +ATOM 7807 O1 TIP3A2603 41.781 22.805 27.553 1.00 0.00 O +ATOM 7808 H1 TIP3A2603 41.316 22.090 27.120 1.00 0.00 H +ATOM 7809 H2 TIP3A2603 42.708 22.587 27.447 1.00 0.00 H +ATOM 7810 O1 TIP3A2604 40.315 20.210 3.783 1.00 0.00 O +ATOM 7811 H1 TIP3A2604 41.199 20.575 3.811 1.00 0.00 H +ATOM 7812 H2 TIP3A2604 40.446 19.267 3.679 1.00 0.00 H +ATOM 7813 O1 TIP3A2605 10.870 31.868 26.939 1.00 0.00 O +ATOM 7814 H1 TIP3A2605 10.100 31.714 26.393 1.00 0.00 H +ATOM 7815 H2 TIP3A2605 10.588 31.636 27.824 1.00 0.00 H +ATOM 7816 O1 TIP3A2606 32.442 27.095 8.203 1.00 0.00 O +ATOM 7817 H1 TIP3A2606 31.873 26.674 7.560 1.00 0.00 H +ATOM 7818 H2 TIP3A2606 32.466 26.484 8.940 1.00 0.00 H +ATOM 7819 O1 TIP3A2607 7.727 21.832 51.444 1.00 0.00 O +ATOM 7820 H1 TIP3A2607 8.463 22.333 51.093 1.00 0.00 H +ATOM 7821 H2 TIP3A2607 7.850 20.948 51.095 1.00 0.00 H +ATOM 7822 O1 TIP3A2608 41.454 29.325 7.087 1.00 0.00 O +ATOM 7823 H1 TIP3A2608 42.254 29.826 6.933 1.00 0.00 H +ATOM 7824 H2 TIP3A2608 41.760 28.462 7.365 1.00 0.00 H +ATOM 7825 O1 TIP3A2609 52.523 32.881 38.553 1.00 0.00 O +ATOM 7826 H1 TIP3A2609 51.707 33.370 38.650 1.00 0.00 H +ATOM 7827 H2 TIP3A2609 52.708 32.904 37.613 1.00 0.00 H +ATOM 7828 O1 TIP3A2610 48.508 17.979 49.770 1.00 0.00 O +ATOM 7829 H1 TIP3A2610 48.567 18.421 48.924 1.00 0.00 H +ATOM 7830 H2 TIP3A2610 49.098 18.472 50.341 1.00 0.00 H +ATOM 7831 O1 TIP3A2611 13.368 11.170 34.700 1.00 0.00 O +ATOM 7832 H1 TIP3A2611 13.070 12.078 34.650 1.00 0.00 H +ATOM 7833 H2 TIP3A2611 12.837 10.781 35.395 1.00 0.00 H +ATOM 7834 O1 TIP3A2612 52.842 6.482 8.714 1.00 0.00 O +ATOM 7835 H1 TIP3A2612 53.687 6.673 8.308 1.00 0.00 H +ATOM 7836 H2 TIP3A2612 52.994 6.602 9.652 1.00 0.00 H +ATOM 7837 O1 TIP3A2613 9.029 34.843 4.732 1.00 0.00 O +ATOM 7838 H1 TIP3A2613 8.252 35.347 4.492 1.00 0.00 H +ATOM 7839 H2 TIP3A2613 8.692 34.118 5.259 1.00 0.00 H +ATOM 7840 O1 TIP3A2614 48.649 38.040 53.404 1.00 0.00 O +ATOM 7841 H1 TIP3A2614 48.826 37.947 54.339 1.00 0.00 H +ATOM 7842 H2 TIP3A2614 48.872 38.951 53.207 1.00 0.00 H +ATOM 7843 O1 TIP3A2615 55.691 39.436 45.068 1.00 0.00 O +ATOM 7844 H1 TIP3A2615 54.841 39.004 44.993 1.00 0.00 H +ATOM 7845 H2 TIP3A2615 56.150 38.947 45.752 1.00 0.00 H +ATOM 7846 O1 TIP3A2616 45.562 29.449 4.713 1.00 0.00 O +ATOM 7847 H1 TIP3A2616 46.112 28.668 4.677 1.00 0.00 H +ATOM 7848 H2 TIP3A2616 46.018 30.037 5.316 1.00 0.00 H +ATOM 7849 O1 TIP3A2617 55.514 56.852 41.557 1.00 0.00 O +ATOM 7850 H1 TIP3A2617 55.072 56.077 41.212 1.00 0.00 H +ATOM 7851 H2 TIP3A2617 56.120 56.511 42.215 1.00 0.00 H +ATOM 7852 O1 TIP3A2618 33.466 11.365 17.995 1.00 0.00 O +ATOM 7853 H1 TIP3A2618 33.286 10.429 17.911 1.00 0.00 H +ATOM 7854 H2 TIP3A2618 32.918 11.776 17.325 1.00 0.00 H +ATOM 7855 O1 TIP3A2619 19.701 29.299 42.722 1.00 0.00 O +ATOM 7856 H1 TIP3A2619 20.295 29.655 42.062 1.00 0.00 H +ATOM 7857 H2 TIP3A2619 19.161 28.669 42.244 1.00 0.00 H +ATOM 7858 O1 TIP3A2620 8.173 31.450 4.680 1.00 0.00 O +ATOM 7859 H1 TIP3A2620 7.233 31.368 4.840 1.00 0.00 H +ATOM 7860 H2 TIP3A2620 8.542 30.621 4.986 1.00 0.00 H +ATOM 7861 O1 TIP3A2621 55.842 7.823 23.743 1.00 0.00 O +ATOM 7862 H1 TIP3A2621 56.638 8.343 23.841 1.00 0.00 H +ATOM 7863 H2 TIP3A2621 56.138 7.001 23.351 1.00 0.00 H +ATOM 7864 O1 TIP3A2622 19.386 34.093 42.029 1.00 0.00 O +ATOM 7865 H1 TIP3A2622 19.950 33.332 42.163 1.00 0.00 H +ATOM 7866 H2 TIP3A2622 19.618 34.692 42.740 1.00 0.00 H +ATOM 7867 O1 TIP3A2623 16.630 7.251 18.259 1.00 0.00 O +ATOM 7868 H1 TIP3A2623 15.991 6.561 18.083 1.00 0.00 H +ATOM 7869 H2 TIP3A2623 16.968 7.048 19.132 1.00 0.00 H +ATOM 7870 O1 TIP3A2624 13.512 15.179 3.484 1.00 0.00 O +ATOM 7871 H1 TIP3A2624 13.888 16.054 3.576 1.00 0.00 H +ATOM 7872 H2 TIP3A2624 12.801 15.155 4.126 1.00 0.00 H +ATOM 7873 O1 TIP3A2625 7.482 7.557 35.688 1.00 0.00 O +ATOM 7874 H1 TIP3A2625 6.749 7.881 35.165 1.00 0.00 H +ATOM 7875 H2 TIP3A2625 7.705 8.287 36.266 1.00 0.00 H +ATOM 7876 O1 TIP3A2626 8.926 28.337 1.409 1.00 0.00 O +ATOM 7877 H1 TIP3A2626 7.995 28.271 1.618 1.00 0.00 H +ATOM 7878 H2 TIP3A2626 8.971 29.007 0.725 1.00 0.00 H +ATOM 7879 O1 TIP3A2627 36.698 0.910 48.159 1.00 0.00 O +ATOM 7880 H1 TIP3A2627 36.481 1.367 47.347 1.00 0.00 H +ATOM 7881 H2 TIP3A2627 36.451 -0.000 47.996 1.00 0.00 H +ATOM 7882 O1 TIP3A2628 39.363 39.494 29.868 1.00 0.00 O +ATOM 7883 H1 TIP3A2628 40.224 39.777 29.562 1.00 0.00 H +ATOM 7884 H2 TIP3A2628 39.374 38.541 29.767 1.00 0.00 H +ATOM 7885 O1 TIP3A2629 45.949 11.412 16.483 1.00 0.00 O +ATOM 7886 H1 TIP3A2629 46.191 10.831 15.763 1.00 0.00 H +ATOM 7887 H2 TIP3A2629 45.585 10.829 17.150 1.00 0.00 H +ATOM 7888 O1 TIP3A2630 4.497 33.098 19.357 1.00 0.00 O +ATOM 7889 H1 TIP3A2630 3.707 33.512 19.009 1.00 0.00 H +ATOM 7890 H2 TIP3A2630 4.768 32.485 18.673 1.00 0.00 H +ATOM 7891 O1 TIP3A2631 14.817 12.664 40.138 1.00 0.00 O +ATOM 7892 H1 TIP3A2631 14.614 12.159 39.351 1.00 0.00 H +ATOM 7893 H2 TIP3A2631 15.462 12.131 40.605 1.00 0.00 H +ATOM 7894 O1 TIP3A2632 11.458 57.818 27.264 1.00 0.00 O +ATOM 7895 H1 TIP3A2632 12.150 57.287 27.657 1.00 0.00 H +ATOM 7896 H2 TIP3A2632 10.715 57.723 27.862 1.00 0.00 H +ATOM 7897 O1 TIP3A2633 53.866 17.062 25.370 1.00 0.00 O +ATOM 7898 H1 TIP3A2633 54.804 17.084 25.555 1.00 0.00 H +ATOM 7899 H2 TIP3A2633 53.504 16.474 26.034 1.00 0.00 H +ATOM 7900 O1 TIP3A2634 45.981 37.959 15.634 1.00 0.00 O +ATOM 7901 H1 TIP3A2634 45.646 37.064 15.588 1.00 0.00 H +ATOM 7902 H2 TIP3A2634 45.430 38.389 16.289 1.00 0.00 H +ATOM 7903 O1 TIP3A2635 24.754 35.841 43.702 1.00 0.00 O +ATOM 7904 H1 TIP3A2635 24.746 36.724 43.332 1.00 0.00 H +ATOM 7905 H2 TIP3A2635 23.845 35.680 43.957 1.00 0.00 H +ATOM 7906 O1 TIP3A2636 51.281 33.958 45.319 1.00 0.00 O +ATOM 7907 H1 TIP3A2636 50.601 33.309 45.140 1.00 0.00 H +ATOM 7908 H2 TIP3A2636 51.732 33.626 46.096 1.00 0.00 H +ATOM 7909 O1 TIP3A2637 22.494 31.571 32.449 1.00 0.00 O +ATOM 7910 H1 TIP3A2637 22.466 32.265 33.107 1.00 0.00 H +ATOM 7911 H2 TIP3A2637 22.430 30.760 32.953 1.00 0.00 H +ATOM 7912 O1 TIP3A2638 18.507 56.478 24.534 1.00 0.00 O +ATOM 7913 H1 TIP3A2638 18.406 56.669 23.602 1.00 0.00 H +ATOM 7914 H2 TIP3A2638 19.292 55.931 24.582 1.00 0.00 H +ATOM 7915 O1 TIP3A2639 27.230 -0.003 45.232 1.00 0.00 O +ATOM 7916 H1 TIP3A2639 26.397 0.042 45.700 1.00 0.00 H +ATOM 7917 H2 TIP3A2639 27.874 0.335 45.855 1.00 0.00 H +ATOM 7918 O1 TIP3A2640 21.965 53.219 3.367 1.00 0.00 O +ATOM 7919 H1 TIP3A2640 22.739 52.909 2.898 1.00 0.00 H +ATOM 7920 H2 TIP3A2640 22.292 53.917 3.936 1.00 0.00 H +ATOM 7921 O1 TIP3A2641 49.693 24.365 49.931 1.00 0.00 O +ATOM 7922 H1 TIP3A2641 50.283 23.892 49.346 1.00 0.00 H +ATOM 7923 H2 TIP3A2641 49.850 25.289 49.735 1.00 0.00 H +ATOM 7924 O1 TIP3A2642 29.820 12.012 53.049 1.00 0.00 O +ATOM 7925 H1 TIP3A2642 29.680 11.663 53.929 1.00 0.00 H +ATOM 7926 H2 TIP3A2642 29.054 12.562 52.884 1.00 0.00 H +ATOM 7927 O1 TIP3A2643 27.793 17.106 55.837 1.00 0.00 O +ATOM 7928 H1 TIP3A2643 28.337 16.411 55.469 1.00 0.00 H +ATOM 7929 H2 TIP3A2643 27.021 17.132 55.271 1.00 0.00 H +ATOM 7930 O1 TIP3A2644 41.795 37.742 39.420 1.00 0.00 O +ATOM 7931 H1 TIP3A2644 41.504 38.165 38.613 1.00 0.00 H +ATOM 7932 H2 TIP3A2644 42.607 38.197 39.649 1.00 0.00 H +ATOM 7933 O1 TIP3A2645 42.827 15.297 43.106 1.00 0.00 O +ATOM 7934 H1 TIP3A2645 41.971 15.529 43.465 1.00 0.00 H +ATOM 7935 H2 TIP3A2645 43.147 14.599 43.679 1.00 0.00 H +ATOM 7936 O1 TIP3A2646 26.785 54.177 20.352 1.00 0.00 O +ATOM 7937 H1 TIP3A2646 27.246 53.737 19.639 1.00 0.00 H +ATOM 7938 H2 TIP3A2646 27.182 53.824 21.149 1.00 0.00 H +ATOM 7939 O1 TIP3A2647 17.740 0.323 53.427 1.00 0.00 O +ATOM 7940 H1 TIP3A2647 17.934 1.164 53.840 1.00 0.00 H +ATOM 7941 H2 TIP3A2647 16.883 0.449 53.018 1.00 0.00 H +ATOM 7942 O1 TIP3A2648 17.428 32.832 8.961 1.00 0.00 O +ATOM 7943 H1 TIP3A2648 18.319 32.844 8.614 1.00 0.00 H +ATOM 7944 H2 TIP3A2648 17.200 31.903 9.005 1.00 0.00 H +ATOM 7945 O1 TIP3A2649 56.114 19.339 12.695 1.00 0.00 O +ATOM 7946 H1 TIP3A2649 56.697 19.488 11.951 1.00 0.00 H +ATOM 7947 H2 TIP3A2649 56.539 19.788 13.427 1.00 0.00 H +ATOM 7948 O1 TIP3A2650 14.812 1.487 10.486 1.00 0.00 O +ATOM 7949 H1 TIP3A2650 15.690 1.866 10.466 1.00 0.00 H +ATOM 7950 H2 TIP3A2650 14.428 1.812 11.302 1.00 0.00 H +ATOM 7951 O1 TIP3A2651 17.869 26.709 5.536 1.00 0.00 O +ATOM 7952 H1 TIP3A2651 18.664 26.385 5.959 1.00 0.00 H +ATOM 7953 H2 TIP3A2651 17.491 25.938 5.112 1.00 0.00 H +ATOM 7954 O1 TIP3A2652 1.575 52.139 29.248 1.00 0.00 O +ATOM 7955 H1 TIP3A2652 2.209 52.775 28.920 1.00 0.00 H +ATOM 7956 H2 TIP3A2652 0.962 52.659 29.769 1.00 0.00 H +ATOM 7957 O1 TIP3A2653 45.678 41.610 25.356 1.00 0.00 O +ATOM 7958 H1 TIP3A2653 44.956 41.511 25.976 1.00 0.00 H +ATOM 7959 H2 TIP3A2653 46.292 40.913 25.589 1.00 0.00 H +ATOM 7960 O1 TIP3A2654 28.450 30.405 51.085 1.00 0.00 O +ATOM 7961 H1 TIP3A2654 29.016 30.207 50.340 1.00 0.00 H +ATOM 7962 H2 TIP3A2654 29.028 30.353 51.847 1.00 0.00 H +ATOM 7963 O1 TIP3A2655 38.188 15.664 33.955 1.00 0.00 O +ATOM 7964 H1 TIP3A2655 38.632 15.933 33.151 1.00 0.00 H +ATOM 7965 H2 TIP3A2655 37.737 14.853 33.721 1.00 0.00 H +ATOM 7966 O1 TIP3A2656 7.731 15.277 50.277 1.00 0.00 O +ATOM 7967 H1 TIP3A2656 7.035 15.568 49.688 1.00 0.00 H +ATOM 7968 H2 TIP3A2656 7.973 16.061 50.769 1.00 0.00 H +ATOM 7969 O1 TIP3A2657 37.765 39.209 58.001 1.00 0.00 O +ATOM 7970 H1 TIP3A2657 38.698 39.253 57.797 1.00 0.00 H +ATOM 7971 H2 TIP3A2657 37.539 38.284 57.900 1.00 0.00 H +ATOM 7972 O1 TIP3A2658 2.546 42.079 48.162 1.00 0.00 O +ATOM 7973 H1 TIP3A2658 1.748 41.553 48.128 1.00 0.00 H +ATOM 7974 H2 TIP3A2658 3.097 41.637 48.809 1.00 0.00 H +ATOM 7975 O1 TIP3A2659 24.567 5.233 21.993 1.00 0.00 O +ATOM 7976 H1 TIP3A2659 24.007 4.877 21.303 1.00 0.00 H +ATOM 7977 H2 TIP3A2659 24.105 6.015 22.297 1.00 0.00 H +ATOM 7978 O1 TIP3A2660 29.939 58.001 0.696 1.00 0.00 O +ATOM 7979 H1 TIP3A2660 30.799 57.630 0.891 1.00 0.00 H +ATOM 7980 H2 TIP3A2660 29.541 57.377 0.087 1.00 0.00 H +ATOM 7981 O1 TIP3A2661 40.856 17.435 1.485 1.00 0.00 O +ATOM 7982 H1 TIP3A2661 41.760 17.484 1.177 1.00 0.00 H +ATOM 7983 H2 TIP3A2661 40.929 17.207 2.412 1.00 0.00 H +ATOM 7984 O1 TIP3A2662 14.494 31.435 14.832 1.00 0.00 O +ATOM 7985 H1 TIP3A2662 15.192 32.057 14.625 1.00 0.00 H +ATOM 7986 H2 TIP3A2662 14.095 31.779 15.631 1.00 0.00 H +ATOM 7987 O1 TIP3A2663 5.625 14.854 10.970 1.00 0.00 O +ATOM 7988 H1 TIP3A2663 5.452 15.736 11.298 1.00 0.00 H +ATOM 7989 H2 TIP3A2663 4.767 14.526 10.701 1.00 0.00 H +ATOM 7990 O1 TIP3A2664 49.947 10.561 4.854 1.00 0.00 O +ATOM 7991 H1 TIP3A2664 49.891 9.619 4.699 1.00 0.00 H +ATOM 7992 H2 TIP3A2664 49.320 10.943 4.239 1.00 0.00 H +ATOM 7993 O1 TIP3A2665 7.030 2.678 39.532 1.00 0.00 O +ATOM 7994 H1 TIP3A2665 7.662 2.470 38.845 1.00 0.00 H +ATOM 7995 H2 TIP3A2665 6.373 1.984 39.472 1.00 0.00 H +ATOM 7996 O1 TIP3A2666 29.277 21.268 57.693 1.00 0.00 O +ATOM 7997 H1 TIP3A2666 28.535 20.732 57.972 1.00 0.00 H +ATOM 7998 H2 TIP3A2666 28.981 21.683 56.881 1.00 0.00 H +ATOM 7999 O1 TIP3A2667 54.559 12.514 56.721 1.00 0.00 O +ATOM 8000 H1 TIP3A2667 53.936 13.216 56.534 1.00 0.00 H +ATOM 8001 H2 TIP3A2667 55.142 12.502 55.961 1.00 0.00 H +ATOM 8002 O1 TIP3A2668 25.809 30.728 57.088 1.00 0.00 O +ATOM 8003 H1 TIP3A2668 25.976 31.151 57.930 1.00 0.00 H +ATOM 8004 H2 TIP3A2668 26.168 29.846 57.188 1.00 0.00 H +ATOM 8005 O1 TIP3A2669 30.854 30.799 19.364 1.00 0.00 O +ATOM 8006 H1 TIP3A2669 30.805 31.642 18.915 1.00 0.00 H +ATOM 8007 H2 TIP3A2669 30.891 30.153 18.659 1.00 0.00 H +ATOM 8008 O1 TIP3A2670 19.737 18.923 23.082 1.00 0.00 O +ATOM 8009 H1 TIP3A2670 19.992 19.838 22.966 1.00 0.00 H +ATOM 8010 H2 TIP3A2670 18.947 18.961 23.622 1.00 0.00 H +ATOM 8011 O1 TIP3A2671 26.587 5.830 48.102 1.00 0.00 O +ATOM 8012 H1 TIP3A2671 26.428 6.771 48.043 1.00 0.00 H +ATOM 8013 H2 TIP3A2671 27.465 5.711 47.739 1.00 0.00 H +ATOM 8014 O1 TIP3A2672 27.935 1.161 9.275 1.00 0.00 O +ATOM 8015 H1 TIP3A2672 27.082 1.490 9.556 1.00 0.00 H +ATOM 8016 H2 TIP3A2672 28.369 0.896 10.087 1.00 0.00 H +ATOM 8017 O1 TIP3A2673 40.523 28.695 29.982 1.00 0.00 O +ATOM 8018 H1 TIP3A2673 40.299 29.547 29.610 1.00 0.00 H +ATOM 8019 H2 TIP3A2673 41.375 28.482 29.599 1.00 0.00 H +ATOM 8020 O1 TIP3A2674 43.278 40.322 56.264 1.00 0.00 O +ATOM 8021 H1 TIP3A2674 42.367 40.597 56.364 1.00 0.00 H +ATOM 8022 H2 TIP3A2674 43.775 41.140 56.247 1.00 0.00 H +ATOM 8023 O1 TIP3A2675 16.667 22.636 36.401 1.00 0.00 O +ATOM 8024 H1 TIP3A2675 16.572 22.477 37.339 1.00 0.00 H +ATOM 8025 H2 TIP3A2675 15.884 22.247 36.011 1.00 0.00 H +ATOM 8026 O1 TIP3A2676 21.093 30.881 21.754 1.00 0.00 O +ATOM 8027 H1 TIP3A2676 20.544 30.109 21.882 1.00 0.00 H +ATOM 8028 H2 TIP3A2676 20.604 31.425 21.136 1.00 0.00 H +ATOM 8029 O1 TIP3A2677 27.320 16.686 45.276 1.00 0.00 O +ATOM 8030 H1 TIP3A2677 26.592 17.261 45.513 1.00 0.00 H +ATOM 8031 H2 TIP3A2677 28.036 16.956 45.852 1.00 0.00 H +ATOM 8032 O1 TIP3A2678 2.049 34.661 27.131 1.00 0.00 O +ATOM 8033 H1 TIP3A2678 2.541 33.854 26.986 1.00 0.00 H +ATOM 8034 H2 TIP3A2678 2.245 34.902 28.037 1.00 0.00 H +ATOM 8035 O1 TIP3A2679 38.819 21.644 16.387 1.00 0.00 O +ATOM 8036 H1 TIP3A2679 39.010 22.537 16.101 1.00 0.00 H +ATOM 8037 H2 TIP3A2679 38.262 21.753 17.159 1.00 0.00 H +ATOM 8038 O1 TIP3A2680 40.352 55.343 3.765 1.00 0.00 O +ATOM 8039 H1 TIP3A2680 40.136 56.165 4.204 1.00 0.00 H +ATOM 8040 H2 TIP3A2680 40.933 54.889 4.378 1.00 0.00 H +ATOM 8041 O1 TIP3A2681 24.952 53.584 52.438 1.00 0.00 O +ATOM 8042 H1 TIP3A2681 24.016 53.780 52.468 1.00 0.00 H +ATOM 8043 H2 TIP3A2681 25.172 53.609 51.506 1.00 0.00 H +ATOM 8044 O1 TIP3A2682 35.520 2.850 11.025 1.00 0.00 O +ATOM 8045 H1 TIP3A2682 35.731 3.372 10.251 1.00 0.00 H +ATOM 8046 H2 TIP3A2682 36.321 2.863 11.549 1.00 0.00 H +ATOM 8047 O1 TIP3A2683 26.340 47.478 24.191 1.00 0.00 O +ATOM 8048 H1 TIP3A2683 26.892 47.596 23.419 1.00 0.00 H +ATOM 8049 H2 TIP3A2683 25.459 47.345 23.839 1.00 0.00 H +ATOM 8050 O1 TIP3A2684 43.775 29.866 46.071 1.00 0.00 O +ATOM 8051 H1 TIP3A2684 44.111 28.998 46.289 1.00 0.00 H +ATOM 8052 H2 TIP3A2684 43.290 29.738 45.256 1.00 0.00 H +ATOM 8053 O1 TIP3A2685 36.619 46.212 11.885 1.00 0.00 O +ATOM 8054 H1 TIP3A2685 36.049 45.444 11.864 1.00 0.00 H +ATOM 8055 H2 TIP3A2685 37.498 45.854 12.012 1.00 0.00 H +ATOM 8056 O1 TIP3A2686 39.543 44.661 24.109 1.00 0.00 O +ATOM 8057 H1 TIP3A2686 38.737 44.398 23.666 1.00 0.00 H +ATOM 8058 H2 TIP3A2686 39.245 45.138 24.885 1.00 0.00 H +ATOM 8059 O1 TIP3A2687 29.640 7.307 13.761 1.00 0.00 O +ATOM 8060 H1 TIP3A2687 30.071 8.117 13.491 1.00 0.00 H +ATOM 8061 H2 TIP3A2687 30.312 6.632 13.658 1.00 0.00 H +ATOM 8062 O1 TIP3A2688 8.584 25.790 50.166 1.00 0.00 O +ATOM 8063 H1 TIP3A2688 8.819 26.706 50.309 1.00 0.00 H +ATOM 8064 H2 TIP3A2688 7.923 25.604 50.833 1.00 0.00 H +ATOM 8065 O1 TIP3A2689 31.079 9.562 3.712 1.00 0.00 O +ATOM 8066 H1 TIP3A2689 31.825 10.119 3.491 1.00 0.00 H +ATOM 8067 H2 TIP3A2689 31.359 8.679 3.467 1.00 0.00 H +ATOM 8068 O1 TIP3A2690 21.623 27.872 41.865 1.00 0.00 O +ATOM 8069 H1 TIP3A2690 21.684 26.941 41.653 1.00 0.00 H +ATOM 8070 H2 TIP3A2690 22.489 28.223 41.654 1.00 0.00 H +ATOM 8071 O1 TIP3A2691 55.217 15.106 1.564 1.00 0.00 O +ATOM 8072 H1 TIP3A2691 54.993 14.656 0.750 1.00 0.00 H +ATOM 8073 H2 TIP3A2691 54.376 15.250 1.998 1.00 0.00 H +ATOM 8074 O1 TIP3A2692 5.245 44.667 56.873 1.00 0.00 O +ATOM 8075 H1 TIP3A2692 4.616 44.392 57.539 1.00 0.00 H +ATOM 8076 H2 TIP3A2692 4.918 45.514 56.569 1.00 0.00 H +ATOM 8077 O1 TIP3A2693 41.704 28.191 41.363 1.00 0.00 O +ATOM 8078 H1 TIP3A2693 42.442 27.588 41.446 1.00 0.00 H +ATOM 8079 H2 TIP3A2693 41.464 28.151 40.437 1.00 0.00 H +ATOM 8080 O1 TIP3A2694 44.502 53.858 56.432 1.00 0.00 O +ATOM 8081 H1 TIP3A2694 44.763 52.954 56.605 1.00 0.00 H +ATOM 8082 H2 TIP3A2694 44.740 54.333 57.229 1.00 0.00 H +ATOM 8083 O1 TIP3A2695 43.100 56.100 40.604 1.00 0.00 O +ATOM 8084 H1 TIP3A2695 42.937 57.035 40.724 1.00 0.00 H +ATOM 8085 H2 TIP3A2695 43.541 56.040 39.756 1.00 0.00 H +ATOM 8086 O1 TIP3A2696 11.786 11.771 46.957 1.00 0.00 O +ATOM 8087 H1 TIP3A2696 12.613 12.252 46.950 1.00 0.00 H +ATOM 8088 H2 TIP3A2696 12.040 10.858 47.094 1.00 0.00 H +ATOM 8089 O1 TIP3A2697 42.334 37.398 7.335 1.00 0.00 O +ATOM 8090 H1 TIP3A2697 43.181 36.953 7.351 1.00 0.00 H +ATOM 8091 H2 TIP3A2697 41.805 36.885 6.722 1.00 0.00 H +ATOM 8092 O1 TIP3A2698 14.063 42.681 39.554 1.00 0.00 O +ATOM 8093 H1 TIP3A2698 14.669 42.571 38.821 1.00 0.00 H +ATOM 8094 H2 TIP3A2698 14.115 43.613 39.770 1.00 0.00 H +ATOM 8095 O1 TIP3A2699 42.434 36.504 16.549 1.00 0.00 O +ATOM 8096 H1 TIP3A2699 41.811 37.092 16.124 1.00 0.00 H +ATOM 8097 H2 TIP3A2699 42.348 35.678 16.073 1.00 0.00 H +ATOM 8098 O1 TIP3A2700 51.290 36.497 53.508 1.00 0.00 O +ATOM 8099 H1 TIP3A2700 52.102 36.023 53.331 1.00 0.00 H +ATOM 8100 H2 TIP3A2700 51.121 36.347 54.438 1.00 0.00 H +ATOM 8101 O1 TIP3A2701 28.398 40.875 5.594 1.00 0.00 O +ATOM 8102 H1 TIP3A2701 29.083 40.229 5.759 1.00 0.00 H +ATOM 8103 H2 TIP3A2701 28.750 41.425 4.893 1.00 0.00 H +ATOM 8104 O1 TIP3A2702 22.716 8.016 26.347 1.00 0.00 O +ATOM 8105 H1 TIP3A2702 22.613 8.967 26.323 1.00 0.00 H +ATOM 8106 H2 TIP3A2702 22.091 7.724 27.012 1.00 0.00 H +ATOM 8107 O1 TIP3A2703 54.450 36.155 -0.012 1.00 0.00 O +ATOM 8108 H1 TIP3A2703 53.788 36.826 0.151 1.00 0.00 H +ATOM 8109 H2 TIP3A2703 55.099 36.285 0.680 1.00 0.00 H +ATOM 8110 O1 TIP3A2704 9.760 48.446 37.034 1.00 0.00 O +ATOM 8111 H1 TIP3A2704 9.551 48.890 37.855 1.00 0.00 H +ATOM 8112 H2 TIP3A2704 10.706 48.299 37.075 1.00 0.00 H +ATOM 8113 O1 TIP3A2705 38.854 37.725 47.883 1.00 0.00 O +ATOM 8114 H1 TIP3A2705 38.179 38.402 47.879 1.00 0.00 H +ATOM 8115 H2 TIP3A2705 38.559 37.096 48.543 1.00 0.00 H +ATOM 8116 O1 TIP3A2706 12.583 2.612 28.112 1.00 0.00 O +ATOM 8117 H1 TIP3A2706 12.479 1.681 28.306 1.00 0.00 H +ATOM 8118 H2 TIP3A2706 13.036 2.967 28.878 1.00 0.00 H +ATOM 8119 O1 TIP3A2707 52.993 9.463 47.514 1.00 0.00 O +ATOM 8120 H1 TIP3A2707 52.730 9.569 46.601 1.00 0.00 H +ATOM 8121 H2 TIP3A2707 53.858 9.870 47.564 1.00 0.00 H +ATOM 8122 O1 TIP3A2708 26.083 11.388 57.278 1.00 0.00 O +ATOM 8123 H1 TIP3A2708 25.995 10.480 57.564 1.00 0.00 H +ATOM 8124 H2 TIP3A2708 27.027 11.526 57.200 1.00 0.00 H +ATOM 8125 O1 TIP3A2709 21.089 17.379 32.472 1.00 0.00 O +ATOM 8126 H1 TIP3A2709 21.036 17.865 33.294 1.00 0.00 H +ATOM 8127 H2 TIP3A2709 21.961 17.580 32.130 1.00 0.00 H +ATOM 8128 O1 TIP3A2710 37.693 8.159 31.081 1.00 0.00 O +ATOM 8129 H1 TIP3A2710 36.902 7.658 31.277 1.00 0.00 H +ATOM 8130 H2 TIP3A2710 37.930 7.895 30.192 1.00 0.00 H +ATOM 8131 O1 TIP3A2711 30.914 48.331 27.840 1.00 0.00 O +ATOM 8132 H1 TIP3A2711 31.128 48.923 27.120 1.00 0.00 H +ATOM 8133 H2 TIP3A2711 30.958 48.880 28.623 1.00 0.00 H +ATOM 8134 O1 TIP3A2712 5.434 42.677 7.336 1.00 0.00 O +ATOM 8135 H1 TIP3A2712 6.321 42.635 6.981 1.00 0.00 H +ATOM 8136 H2 TIP3A2712 4.884 42.285 6.657 1.00 0.00 H +ATOM 8137 O1 TIP3A2713 56.047 13.121 9.674 1.00 0.00 O +ATOM 8138 H1 TIP3A2713 55.117 12.983 9.499 1.00 0.00 H +ATOM 8139 H2 TIP3A2713 56.305 13.816 9.068 1.00 0.00 H +ATOM 8140 O1 TIP3A2714 30.282 35.022 39.855 1.00 0.00 O +ATOM 8141 H1 TIP3A2714 30.072 35.595 39.118 1.00 0.00 H +ATOM 8142 H2 TIP3A2714 30.896 35.530 40.386 1.00 0.00 H +ATOM 8143 O1 TIP3A2715 56.162 18.512 56.349 1.00 0.00 O +ATOM 8144 H1 TIP3A2715 55.368 17.983 56.275 1.00 0.00 H +ATOM 8145 H2 TIP3A2715 56.038 19.221 55.717 1.00 0.00 H +ATOM 8146 O1 TIP3A2716 28.835 17.288 13.642 1.00 0.00 O +ATOM 8147 H1 TIP3A2716 29.741 17.014 13.779 1.00 0.00 H +ATOM 8148 H2 TIP3A2716 28.552 16.803 12.865 1.00 0.00 H +ATOM 8149 O1 TIP3A2717 52.218 15.102 35.131 1.00 0.00 O +ATOM 8150 H1 TIP3A2717 51.344 14.713 35.139 1.00 0.00 H +ATOM 8151 H2 TIP3A2717 52.624 14.762 34.332 1.00 0.00 H +ATOM 8152 O1 TIP3A2718 41.591 36.948 48.390 1.00 0.00 O +ATOM 8153 H1 TIP3A2718 42.222 36.369 48.815 1.00 0.00 H +ATOM 8154 H2 TIP3A2718 40.737 36.567 48.597 1.00 0.00 H +ATOM 8155 O1 TIP3A2719 45.328 28.004 36.138 1.00 0.00 O +ATOM 8156 H1 TIP3A2719 44.383 28.060 36.276 1.00 0.00 H +ATOM 8157 H2 TIP3A2719 45.490 28.541 35.362 1.00 0.00 H +ATOM 8158 O1 TIP3A2720 13.714 55.591 35.232 1.00 0.00 O +ATOM 8159 H1 TIP3A2720 12.824 55.270 35.094 1.00 0.00 H +ATOM 8160 H2 TIP3A2720 13.931 55.322 36.125 1.00 0.00 H +ATOM 8161 O1 TIP3A2721 53.561 31.312 18.537 1.00 0.00 O +ATOM 8162 H1 TIP3A2721 53.626 31.968 17.844 1.00 0.00 H +ATOM 8163 H2 TIP3A2721 53.505 30.477 18.072 1.00 0.00 H +ATOM 8164 O1 TIP3A2722 22.232 39.878 54.668 1.00 0.00 O +ATOM 8165 H1 TIP3A2722 23.162 39.893 54.889 1.00 0.00 H +ATOM 8166 H2 TIP3A2722 21.877 40.674 55.066 1.00 0.00 H +ATOM 8167 O1 TIP3A2723 13.586 49.623 24.573 1.00 0.00 O +ATOM 8168 H1 TIP3A2723 13.363 49.715 25.498 1.00 0.00 H +ATOM 8169 H2 TIP3A2723 13.863 48.711 24.482 1.00 0.00 H +ATOM 8170 O1 TIP3A2724 2.816 23.722 8.633 1.00 0.00 O +ATOM 8171 H1 TIP3A2724 2.301 24.487 8.378 1.00 0.00 H +ATOM 8172 H2 TIP3A2724 2.413 23.423 9.449 1.00 0.00 H +ATOM 8173 O1 TIP3A2725 2.972 49.751 8.259 1.00 0.00 O +ATOM 8174 H1 TIP3A2725 3.280 50.510 7.764 1.00 0.00 H +ATOM 8175 H2 TIP3A2725 2.212 50.074 8.745 1.00 0.00 H +ATOM 8176 O1 TIP3A2726 33.788 13.595 36.817 1.00 0.00 O +ATOM 8177 H1 TIP3A2726 34.162 12.715 36.792 1.00 0.00 H +ATOM 8178 H2 TIP3A2726 33.088 13.577 36.163 1.00 0.00 H +ATOM 8179 O1 TIP3A2727 48.580 32.682 55.009 1.00 0.00 O +ATOM 8180 H1 TIP3A2727 48.492 31.735 54.907 1.00 0.00 H +ATOM 8181 H2 TIP3A2727 48.015 33.050 54.328 1.00 0.00 H +ATOM 8182 O1 TIP3A2728 42.667 6.407 40.033 1.00 0.00 O +ATOM 8183 H1 TIP3A2728 43.147 5.595 39.874 1.00 0.00 H +ATOM 8184 H2 TIP3A2728 41.949 6.390 39.399 1.00 0.00 H +ATOM 8185 O1 TIP3A2729 2.530 5.575 45.751 1.00 0.00 O +ATOM 8186 H1 TIP3A2729 3.337 6.071 45.621 1.00 0.00 H +ATOM 8187 H2 TIP3A2729 2.348 5.655 46.688 1.00 0.00 H +ATOM 8188 O1 TIP3A2730 55.384 26.335 14.945 1.00 0.00 O +ATOM 8189 H1 TIP3A2730 54.438 26.470 14.914 1.00 0.00 H +ATOM 8190 H2 TIP3A2730 55.529 25.830 15.745 1.00 0.00 H +ATOM 8191 O1 TIP3A2731 18.548 32.644 36.883 1.00 0.00 O +ATOM 8192 H1 TIP3A2731 17.713 32.918 37.259 1.00 0.00 H +ATOM 8193 H2 TIP3A2731 19.203 33.170 37.343 1.00 0.00 H +ATOM 8194 O1 TIP3A2732 43.420 53.711 8.524 1.00 0.00 O +ATOM 8195 H1 TIP3A2732 43.892 54.075 7.776 1.00 0.00 H +ATOM 8196 H2 TIP3A2732 42.768 53.126 8.135 1.00 0.00 H +ATOM 8197 O1 TIP3A2733 7.329 30.886 34.388 1.00 0.00 O +ATOM 8198 H1 TIP3A2733 7.358 31.078 33.451 1.00 0.00 H +ATOM 8199 H2 TIP3A2733 6.396 30.886 34.604 1.00 0.00 H +ATOM 8200 O1 TIP3A2734 12.277 7.165 9.974 1.00 0.00 O +ATOM 8201 H1 TIP3A2734 12.659 8.040 9.917 1.00 0.00 H +ATOM 8202 H2 TIP3A2734 12.822 6.628 9.398 1.00 0.00 H +ATOM 8203 O1 TIP3A2735 35.366 27.062 3.853 1.00 0.00 O +ATOM 8204 H1 TIP3A2735 35.513 27.811 4.430 1.00 0.00 H +ATOM 8205 H2 TIP3A2735 34.415 26.946 3.849 1.00 0.00 H +ATOM 8206 O1 TIP3A2736 31.563 3.296 55.474 1.00 0.00 O +ATOM 8207 H1 TIP3A2736 31.512 2.670 54.752 1.00 0.00 H +ATOM 8208 H2 TIP3A2736 30.927 3.975 55.248 1.00 0.00 H +ATOM 8209 O1 TIP3A2737 17.989 54.697 7.125 1.00 0.00 O +ATOM 8210 H1 TIP3A2737 17.221 54.732 7.694 1.00 0.00 H +ATOM 8211 H2 TIP3A2737 18.275 55.608 7.051 1.00 0.00 H +ATOM 8212 O1 TIP3A2738 24.882 20.771 2.517 1.00 0.00 O +ATOM 8213 H1 TIP3A2738 25.312 21.601 2.312 1.00 0.00 H +ATOM 8214 H2 TIP3A2738 24.455 20.925 3.361 1.00 0.00 H +ATOM 8215 O1 TIP3A2739 12.975 37.504 10.244 1.00 0.00 O +ATOM 8216 H1 TIP3A2739 13.084 38.448 10.137 1.00 0.00 H +ATOM 8217 H2 TIP3A2739 13.680 37.120 9.723 1.00 0.00 H +ATOM 8218 O1 TIP3A2740 31.337 37.126 6.581 1.00 0.00 O +ATOM 8219 H1 TIP3A2740 31.777 36.693 7.311 1.00 0.00 H +ATOM 8220 H2 TIP3A2740 30.541 36.613 6.441 1.00 0.00 H +ATOM 8221 O1 TIP3A2741 56.955 47.843 8.916 1.00 0.00 O +ATOM 8222 H1 TIP3A2741 57.911 47.872 8.915 1.00 0.00 H +ATOM 8223 H2 TIP3A2741 56.698 48.410 9.644 1.00 0.00 H +ATOM 8224 O1 TIP3A2742 0.782 24.338 11.644 1.00 0.00 O +ATOM 8225 H1 TIP3A2742 0.677 23.560 11.098 1.00 0.00 H +ATOM 8226 H2 TIP3A2742 1.487 24.832 11.225 1.00 0.00 H +ATOM 8227 O1 TIP3A2743 12.034 17.241 37.321 1.00 0.00 O +ATOM 8228 H1 TIP3A2743 12.587 17.517 38.051 1.00 0.00 H +ATOM 8229 H2 TIP3A2743 11.193 17.023 37.725 1.00 0.00 H +ATOM 8230 O1 TIP3A2744 0.545 1.612 54.121 1.00 0.00 O +ATOM 8231 H1 TIP3A2744 0.789 0.753 53.778 1.00 0.00 H +ATOM 8232 H2 TIP3A2744 0.569 2.190 53.358 1.00 0.00 H +ATOM 8233 O1 TIP3A2745 44.940 35.300 34.877 1.00 0.00 O +ATOM 8234 H1 TIP3A2745 44.884 35.734 34.026 1.00 0.00 H +ATOM 8235 H2 TIP3A2745 44.038 35.046 35.076 1.00 0.00 H +ATOM 8236 O1 TIP3A2746 34.930 50.454 50.047 1.00 0.00 O +ATOM 8237 H1 TIP3A2746 35.205 49.995 49.254 1.00 0.00 H +ATOM 8238 H2 TIP3A2746 34.139 49.994 50.329 1.00 0.00 H +ATOM 8239 O1 TIP3A2747 47.011 8.260 24.695 1.00 0.00 O +ATOM 8240 H1 TIP3A2747 46.068 8.345 24.830 1.00 0.00 H +ATOM 8241 H2 TIP3A2747 47.336 7.873 25.508 1.00 0.00 H +ATOM 8242 O1 TIP3A2748 43.275 52.257 27.443 1.00 0.00 O +ATOM 8243 H1 TIP3A2748 42.530 52.776 27.744 1.00 0.00 H +ATOM 8244 H2 TIP3A2748 42.928 51.735 26.719 1.00 0.00 H +ATOM 8245 O1 TIP3A2749 24.538 36.720 33.064 1.00 0.00 O +ATOM 8246 H1 TIP3A2749 24.901 35.880 32.785 1.00 0.00 H +ATOM 8247 H2 TIP3A2749 24.085 36.525 33.885 1.00 0.00 H +ATOM 8248 O1 TIP3A2750 10.333 57.243 42.404 1.00 0.00 O +ATOM 8249 H1 TIP3A2750 10.073 57.197 41.485 1.00 0.00 H +ATOM 8250 H2 TIP3A2750 10.262 56.341 42.719 1.00 0.00 H +ATOM 8251 O1 TIP3A2751 11.082 6.460 54.462 1.00 0.00 O +ATOM 8252 H1 TIP3A2751 11.927 6.013 54.480 1.00 0.00 H +ATOM 8253 H2 TIP3A2751 10.436 5.753 54.471 1.00 0.00 H +ATOM 8254 O1 TIP3A2752 5.471 8.927 47.948 1.00 0.00 O +ATOM 8255 H1 TIP3A2752 6.000 8.831 47.156 1.00 0.00 H +ATOM 8256 H2 TIP3A2752 5.535 8.077 48.384 1.00 0.00 H +ATOM 8257 O1 TIP3A2753 51.331 33.442 32.505 1.00 0.00 O +ATOM 8258 H1 TIP3A2753 52.049 33.837 32.998 1.00 0.00 H +ATOM 8259 H2 TIP3A2753 50.549 33.903 32.809 1.00 0.00 H +ATOM 8260 O1 TIP3A2754 27.332 52.704 14.306 1.00 0.00 O +ATOM 8261 H1 TIP3A2754 26.651 52.495 14.945 1.00 0.00 H +ATOM 8262 H2 TIP3A2754 27.339 53.661 14.268 1.00 0.00 H +ATOM 8263 O1 TIP3A2755 5.297 52.217 30.553 1.00 0.00 O +ATOM 8264 H1 TIP3A2755 5.189 53.161 30.450 1.00 0.00 H +ATOM 8265 H2 TIP3A2755 5.960 51.979 29.904 1.00 0.00 H +ATOM 8266 O1 TIP3A2756 37.111 53.192 46.525 1.00 0.00 O +ATOM 8267 H1 TIP3A2756 36.537 53.378 45.783 1.00 0.00 H +ATOM 8268 H2 TIP3A2756 36.852 53.825 47.195 1.00 0.00 H +ATOM 8269 O1 TIP3A2757 50.656 54.651 55.904 1.00 0.00 O +ATOM 8270 H1 TIP3A2757 51.082 54.957 56.704 1.00 0.00 H +ATOM 8271 H2 TIP3A2757 51.364 54.596 55.261 1.00 0.00 H +ATOM 8272 O1 TIP3A2758 29.629 22.605 0.030 1.00 0.00 O +ATOM 8273 H1 TIP3A2758 28.957 23.285 -0.001 1.00 0.00 H +ATOM 8274 H2 TIP3A2758 29.443 22.121 0.835 1.00 0.00 H +ATOM 8275 O1 TIP3A2759 17.335 56.753 36.398 1.00 0.00 O +ATOM 8276 H1 TIP3A2759 17.142 56.015 36.976 1.00 0.00 H +ATOM 8277 H2 TIP3A2759 16.573 57.327 36.480 1.00 0.00 H +ATOM 8278 O1 TIP3A2760 22.993 53.289 7.028 1.00 0.00 O +ATOM 8279 H1 TIP3A2760 22.824 54.011 6.424 1.00 0.00 H +ATOM 8280 H2 TIP3A2760 23.948 53.229 7.070 1.00 0.00 H +ATOM 8281 O1 TIP3A2761 39.302 29.126 6.558 1.00 0.00 O +ATOM 8282 H1 TIP3A2761 39.700 28.768 5.765 1.00 0.00 H +ATOM 8283 H2 TIP3A2761 38.360 29.012 6.425 1.00 0.00 H +ATOM 8284 O1 TIP3A2762 4.364 5.454 50.165 1.00 0.00 O +ATOM 8285 H1 TIP3A2762 4.472 5.960 50.970 1.00 0.00 H +ATOM 8286 H2 TIP3A2762 4.222 4.555 50.464 1.00 0.00 H +ATOM 8287 O1 TIP3A2763 24.351 40.733 10.199 1.00 0.00 O +ATOM 8288 H1 TIP3A2763 23.607 41.332 10.239 1.00 0.00 H +ATOM 8289 H2 TIP3A2763 24.163 40.070 10.864 1.00 0.00 H +ATOM 8290 O1 TIP3A2764 2.260 26.041 38.697 1.00 0.00 O +ATOM 8291 H1 TIP3A2764 2.479 25.112 38.759 1.00 0.00 H +ATOM 8292 H2 TIP3A2764 1.747 26.114 37.892 1.00 0.00 H +ATOM 8293 O1 TIP3A2765 8.528 41.551 17.486 1.00 0.00 O +ATOM 8294 H1 TIP3A2765 8.161 42.431 17.401 1.00 0.00 H +ATOM 8295 H2 TIP3A2765 7.909 41.087 18.050 1.00 0.00 H +ATOM 8296 O1 TIP3A2766 34.790 2.157 21.731 1.00 0.00 O +ATOM 8297 H1 TIP3A2766 34.341 2.955 22.009 1.00 0.00 H +ATOM 8298 H2 TIP3A2766 34.361 1.915 20.909 1.00 0.00 H +ATOM 8299 O1 TIP3A2767 53.175 6.171 5.641 1.00 0.00 O +ATOM 8300 H1 TIP3A2767 53.585 6.833 5.084 1.00 0.00 H +ATOM 8301 H2 TIP3A2767 53.142 5.385 5.094 1.00 0.00 H +ATOM 8302 O1 TIP3A2768 20.751 50.047 44.367 1.00 0.00 O +ATOM 8303 H1 TIP3A2768 21.028 50.535 43.592 1.00 0.00 H +ATOM 8304 H2 TIP3A2768 20.689 50.707 45.058 1.00 0.00 H +ATOM 8305 O1 TIP3A2769 38.738 29.607 32.687 1.00 0.00 O +ATOM 8306 H1 TIP3A2769 39.618 29.245 32.787 1.00 0.00 H +ATOM 8307 H2 TIP3A2769 38.635 29.730 31.743 1.00 0.00 H +ATOM 8308 O1 TIP3A2770 13.738 16.756 54.815 1.00 0.00 O +ATOM 8309 H1 TIP3A2770 13.063 16.617 54.151 1.00 0.00 H +ATOM 8310 H2 TIP3A2770 13.993 17.673 54.709 1.00 0.00 H +ATOM 8311 O1 TIP3A2771 1.356 27.204 40.570 1.00 0.00 O +ATOM 8312 H1 TIP3A2771 2.237 27.526 40.383 1.00 0.00 H +ATOM 8313 H2 TIP3A2771 0.954 27.897 41.094 1.00 0.00 H +ATOM 8314 O1 TIP3A2772 22.670 17.142 48.914 1.00 0.00 O +ATOM 8315 H1 TIP3A2772 23.369 16.499 48.800 1.00 0.00 H +ATOM 8316 H2 TIP3A2772 22.009 16.897 48.266 1.00 0.00 H +ATOM 8317 O1 TIP3A2773 15.134 21.179 38.727 1.00 0.00 O +ATOM 8318 H1 TIP3A2773 15.359 20.725 39.538 1.00 0.00 H +ATOM 8319 H2 TIP3A2773 14.720 20.509 38.183 1.00 0.00 H +ATOM 8320 O1 TIP3A2774 50.029 10.069 56.066 1.00 0.00 O +ATOM 8321 H1 TIP3A2774 50.757 9.551 55.725 1.00 0.00 H +ATOM 8322 H2 TIP3A2774 49.370 10.042 55.371 1.00 0.00 H +ATOM 8323 O1 TIP3A2775 47.642 50.177 9.911 1.00 0.00 O +ATOM 8324 H1 TIP3A2775 48.526 50.541 9.938 1.00 0.00 H +ATOM 8325 H2 TIP3A2775 47.072 50.916 10.126 1.00 0.00 H +ATOM 8326 O1 TIP3A2776 2.470 54.448 48.161 1.00 0.00 O +ATOM 8327 H1 TIP3A2776 2.530 55.234 47.619 1.00 0.00 H +ATOM 8328 H2 TIP3A2776 3.380 54.207 48.336 1.00 0.00 H +ATOM 8329 O1 TIP3A2777 5.629 9.956 44.260 1.00 0.00 O +ATOM 8330 H1 TIP3A2777 5.565 9.897 45.212 1.00 0.00 H +ATOM 8331 H2 TIP3A2777 5.106 9.220 43.938 1.00 0.00 H +ATOM 8332 O1 TIP3A2778 31.827 51.827 52.977 1.00 0.00 O +ATOM 8333 H1 TIP3A2778 31.234 51.113 53.207 1.00 0.00 H +ATOM 8334 H2 TIP3A2778 32.696 51.424 52.966 1.00 0.00 H +ATOM 8335 O1 TIP3A2779 25.660 4.734 52.906 1.00 0.00 O +ATOM 8336 H1 TIP3A2779 24.774 4.378 52.850 1.00 0.00 H +ATOM 8337 H2 TIP3A2779 26.089 4.204 53.579 1.00 0.00 H +ATOM 8338 O1 TIP3A2780 16.610 31.203 18.367 1.00 0.00 O +ATOM 8339 H1 TIP3A2780 17.292 31.408 19.005 1.00 0.00 H +ATOM 8340 H2 TIP3A2780 16.156 30.445 18.736 1.00 0.00 H +ATOM 8341 O1 TIP3A2781 13.956 25.618 49.901 1.00 0.00 O +ATOM 8342 H1 TIP3A2781 13.784 25.120 50.699 1.00 0.00 H +ATOM 8343 H2 TIP3A2781 14.768 26.091 50.084 1.00 0.00 H +ATOM 8344 O1 TIP3A2782 36.111 19.938 11.868 1.00 0.00 O +ATOM 8345 H1 TIP3A2782 36.194 20.848 12.149 1.00 0.00 H +ATOM 8346 H2 TIP3A2782 36.374 19.946 10.947 1.00 0.00 H +ATOM 8347 O1 TIP3A2783 46.511 40.670 50.186 1.00 0.00 O +ATOM 8348 H1 TIP3A2783 46.367 41.239 49.430 1.00 0.00 H +ATOM 8349 H2 TIP3A2783 46.173 41.169 50.930 1.00 0.00 H +ATOM 8350 O1 TIP3A2784 50.866 35.886 14.196 1.00 0.00 O +ATOM 8351 H1 TIP3A2784 51.739 36.188 13.949 1.00 0.00 H +ATOM 8352 H2 TIP3A2784 50.679 36.338 15.020 1.00 0.00 H +ATOM 8353 O1 TIP3A2785 2.666 7.953 33.727 1.00 0.00 O +ATOM 8354 H1 TIP3A2785 3.317 7.445 34.211 1.00 0.00 H +ATOM 8355 H2 TIP3A2785 3.152 8.330 32.993 1.00 0.00 H +ATOM 8356 O1 TIP3A2786 11.712 11.194 17.467 1.00 0.00 O +ATOM 8357 H1 TIP3A2786 11.642 10.306 17.816 1.00 0.00 H +ATOM 8358 H2 TIP3A2786 12.602 11.469 17.689 1.00 0.00 H +ATOM 8359 O1 TIP3A2787 49.549 18.120 31.905 1.00 0.00 O +ATOM 8360 H1 TIP3A2787 49.691 19.019 31.610 1.00 0.00 H +ATOM 8361 H2 TIP3A2787 49.388 18.198 32.846 1.00 0.00 H +ATOM 8362 O1 TIP3A2788 18.638 2.659 16.532 1.00 0.00 O +ATOM 8363 H1 TIP3A2788 18.639 2.278 15.655 1.00 0.00 H +ATOM 8364 H2 TIP3A2788 17.923 2.213 16.987 1.00 0.00 H +ATOM 8365 O1 TIP3A2789 28.527 43.516 45.195 1.00 0.00 O +ATOM 8366 H1 TIP3A2789 29.006 43.196 45.959 1.00 0.00 H +ATOM 8367 H2 TIP3A2789 27.690 43.051 45.225 1.00 0.00 H +ATOM 8368 O1 TIP3A2790 25.784 52.951 3.411 1.00 0.00 O +ATOM 8369 H1 TIP3A2790 25.215 52.685 4.133 1.00 0.00 H +ATOM 8370 H2 TIP3A2790 26.203 52.139 3.125 1.00 0.00 H +ATOM 8371 O1 TIP3A2791 49.513 12.459 53.629 1.00 0.00 O +ATOM 8372 H1 TIP3A2791 48.697 12.343 53.143 1.00 0.00 H +ATOM 8373 H2 TIP3A2791 49.798 11.568 53.835 1.00 0.00 H +ATOM 8374 O1 TIP3A2792 53.206 57.486 56.290 1.00 0.00 O +ATOM 8375 H1 TIP3A2792 52.840 56.644 56.023 1.00 0.00 H +ATOM 8376 H2 TIP3A2792 53.570 57.856 55.485 1.00 0.00 H +ATOM 8377 O1 TIP3A2793 1.512 14.466 41.855 1.00 0.00 O +ATOM 8378 H1 TIP3A2793 1.636 15.352 42.194 1.00 0.00 H +ATOM 8379 H2 TIP3A2793 1.052 14.004 42.556 1.00 0.00 H +ATOM 8380 O1 TIP3A2794 47.978 3.389 54.854 1.00 0.00 O +ATOM 8381 H1 TIP3A2794 47.774 2.581 54.384 1.00 0.00 H +ATOM 8382 H2 TIP3A2794 47.402 3.375 55.619 1.00 0.00 H +ATOM 8383 O1 TIP3A2795 57.697 31.012 33.480 1.00 0.00 O +ATOM 8384 H1 TIP3A2795 57.600 31.091 32.532 1.00 0.00 H +ATOM 8385 H2 TIP3A2795 57.356 30.140 33.684 1.00 0.00 H +ATOM 8386 O1 TIP3A2796 38.720 54.642 40.746 1.00 0.00 O +ATOM 8387 H1 TIP3A2796 37.901 54.501 41.220 1.00 0.00 H +ATOM 8388 H2 TIP3A2796 38.462 55.124 39.959 1.00 0.00 H +ATOM 8389 O1 TIP3A2797 30.075 40.688 24.527 1.00 0.00 O +ATOM 8390 H1 TIP3A2797 29.979 41.607 24.281 1.00 0.00 H +ATOM 8391 H2 TIP3A2797 30.983 40.611 24.821 1.00 0.00 H +ATOM 8392 O1 TIP3A2798 32.305 42.832 12.568 1.00 0.00 O +ATOM 8393 H1 TIP3A2798 32.659 41.945 12.615 1.00 0.00 H +ATOM 8394 H2 TIP3A2798 31.562 42.763 11.969 1.00 0.00 H +ATOM 8395 O1 TIP3A2799 4.013 38.641 10.494 1.00 0.00 O +ATOM 8396 H1 TIP3A2799 4.871 38.548 10.906 1.00 0.00 H +ATOM 8397 H2 TIP3A2799 3.780 39.560 10.629 1.00 0.00 H +ATOM 8398 O1 TIP3A2800 5.455 31.128 49.717 1.00 0.00 O +ATOM 8399 H1 TIP3A2800 5.127 31.948 50.085 1.00 0.00 H +ATOM 8400 H2 TIP3A2800 4.798 30.878 49.066 1.00 0.00 H +ATOM 8401 O1 TIP3A2801 39.837 7.709 25.151 1.00 0.00 O +ATOM 8402 H1 TIP3A2801 40.168 8.209 25.896 1.00 0.00 H +ATOM 8403 H2 TIP3A2801 38.895 7.639 25.306 1.00 0.00 H +ATOM 8404 O1 TIP3A2802 16.665 50.397 30.508 1.00 0.00 O +ATOM 8405 H1 TIP3A2802 16.702 49.447 30.407 1.00 0.00 H +ATOM 8406 H2 TIP3A2802 16.632 50.734 29.612 1.00 0.00 H +ATOM 8407 O1 TIP3A2803 15.522 54.244 26.838 1.00 0.00 O +ATOM 8408 H1 TIP3A2803 16.049 55.011 27.060 1.00 0.00 H +ATOM 8409 H2 TIP3A2803 16.153 53.525 26.792 1.00 0.00 H +ATOM 8410 O1 TIP3A2804 47.948 39.898 14.743 1.00 0.00 O +ATOM 8411 H1 TIP3A2804 48.509 40.662 14.609 1.00 0.00 H +ATOM 8412 H2 TIP3A2804 47.437 40.110 15.525 1.00 0.00 H +ATOM 8413 O1 TIP3A2805 13.869 23.322 13.893 1.00 0.00 O +ATOM 8414 H1 TIP3A2805 14.514 24.027 13.942 1.00 0.00 H +ATOM 8415 H2 TIP3A2805 14.212 22.730 13.222 1.00 0.00 H +ATOM 8416 O1 TIP3A2806 29.539 20.595 20.505 1.00 0.00 O +ATOM 8417 H1 TIP3A2806 29.440 21.527 20.315 1.00 0.00 H +ATOM 8418 H2 TIP3A2806 30.335 20.542 21.035 1.00 0.00 H +ATOM 8419 O1 TIP3A2807 44.781 11.509 3.611 1.00 0.00 O +ATOM 8420 H1 TIP3A2807 44.616 11.726 2.695 1.00 0.00 H +ATOM 8421 H2 TIP3A2807 43.915 11.323 3.974 1.00 0.00 H +ATOM 8422 O1 TIP3A2808 53.088 18.774 54.871 1.00 0.00 O +ATOM 8423 H1 TIP3A2808 53.934 19.191 55.029 1.00 0.00 H +ATOM 8424 H2 TIP3A2808 52.448 19.474 54.999 1.00 0.00 H +ATOM 8425 O1 TIP3A2809 43.751 30.293 57.333 1.00 0.00 O +ATOM 8426 H1 TIP3A2809 42.851 30.575 57.496 1.00 0.00 H +ATOM 8427 H2 TIP3A2809 44.084 30.917 56.687 1.00 0.00 H +ATOM 8428 O1 TIP3A2810 21.983 31.073 39.806 1.00 0.00 O +ATOM 8429 H1 TIP3A2810 22.056 32.001 39.588 1.00 0.00 H +ATOM 8430 H2 TIP3A2810 21.632 31.063 40.697 1.00 0.00 H +ATOM 8431 O1 TIP3A2811 28.217 46.535 1.396 1.00 0.00 O +ATOM 8432 H1 TIP3A2811 28.780 45.956 0.883 1.00 0.00 H +ATOM 8433 H2 TIP3A2811 28.326 47.396 0.991 1.00 0.00 H +ATOM 8434 O1 TIP3A2812 47.193 6.424 6.381 1.00 0.00 O +ATOM 8435 H1 TIP3A2812 46.456 6.426 5.770 1.00 0.00 H +ATOM 8436 H2 TIP3A2812 46.987 5.725 7.002 1.00 0.00 H +ATOM 8437 O1 TIP3A2813 33.790 48.032 29.210 1.00 0.00 O +ATOM 8438 H1 TIP3A2813 33.453 48.220 28.334 1.00 0.00 H +ATOM 8439 H2 TIP3A2813 33.162 47.412 29.581 1.00 0.00 H +ATOM 8440 O1 TIP3A2814 39.360 50.337 29.236 1.00 0.00 O +ATOM 8441 H1 TIP3A2814 38.819 49.630 28.885 1.00 0.00 H +ATOM 8442 H2 TIP3A2814 39.586 50.049 30.122 1.00 0.00 H +ATOM 8443 O1 TIP3A2815 12.206 53.992 37.687 1.00 0.00 O +ATOM 8444 H1 TIP3A2815 12.950 54.517 37.980 1.00 0.00 H +ATOM 8445 H2 TIP3A2815 12.571 53.409 37.021 1.00 0.00 H +ATOM 8446 O1 TIP3A2816 28.937 14.556 13.653 1.00 0.00 O +ATOM 8447 H1 TIP3A2816 29.777 14.333 13.254 1.00 0.00 H +ATOM 8448 H2 TIP3A2816 28.322 14.586 12.920 1.00 0.00 H +ATOM 8449 O1 TIP3A2817 26.317 24.331 5.110 1.00 0.00 O +ATOM 8450 H1 TIP3A2817 25.902 23.989 4.319 1.00 0.00 H +ATOM 8451 H2 TIP3A2817 27.203 24.567 4.834 1.00 0.00 H +ATOM 8452 O1 TIP3A2818 23.893 11.895 45.593 1.00 0.00 O +ATOM 8453 H1 TIP3A2818 24.361 11.091 45.371 1.00 0.00 H +ATOM 8454 H2 TIP3A2818 24.538 12.591 45.464 1.00 0.00 H +ATOM 8455 O1 TIP3A2819 27.227 18.648 36.824 1.00 0.00 O +ATOM 8456 H1 TIP3A2819 26.507 19.267 36.705 1.00 0.00 H +ATOM 8457 H2 TIP3A2819 26.809 17.857 37.165 1.00 0.00 H +ATOM 8458 O1 TIP3A2820 23.684 33.238 8.618 1.00 0.00 O +ATOM 8459 H1 TIP3A2820 23.790 34.186 8.693 1.00 0.00 H +ATOM 8460 H2 TIP3A2820 22.784 33.074 8.901 1.00 0.00 H +ATOM 8461 O1 TIP3A2821 54.147 41.014 41.995 1.00 0.00 O +ATOM 8462 H1 TIP3A2821 54.909 40.511 41.708 1.00 0.00 H +ATOM 8463 H2 TIP3A2821 53.526 40.944 41.270 1.00 0.00 H +ATOM 8464 O1 TIP3A2822 1.789 9.762 54.564 1.00 0.00 O +ATOM 8465 H1 TIP3A2822 0.908 9.458 54.351 1.00 0.00 H +ATOM 8466 H2 TIP3A2822 1.658 10.419 55.248 1.00 0.00 H +ATOM 8467 O1 TIP3A2823 47.913 28.012 12.976 1.00 0.00 O +ATOM 8468 H1 TIP3A2823 47.095 27.552 12.790 1.00 0.00 H +ATOM 8469 H2 TIP3A2823 47.881 28.792 12.421 1.00 0.00 H +ATOM 8470 O1 TIP3A2824 29.882 9.415 29.365 1.00 0.00 O +ATOM 8471 H1 TIP3A2824 30.504 8.709 29.194 1.00 0.00 H +ATOM 8472 H2 TIP3A2824 30.163 10.128 28.791 1.00 0.00 H +ATOM 8473 O1 TIP3A2825 52.545 3.721 0.899 1.00 0.00 O +ATOM 8474 H1 TIP3A2825 52.791 3.915 1.803 1.00 0.00 H +ATOM 8475 H2 TIP3A2825 53.341 3.890 0.392 1.00 0.00 H +ATOM 8476 O1 TIP3A2826 53.290 23.375 19.099 1.00 0.00 O +ATOM 8477 H1 TIP3A2826 53.860 22.610 19.035 1.00 0.00 H +ATOM 8478 H2 TIP3A2826 52.680 23.282 18.366 1.00 0.00 H +ATOM 8479 O1 TIP3A2827 52.471 47.301 32.461 1.00 0.00 O +ATOM 8480 H1 TIP3A2827 51.536 47.491 32.526 1.00 0.00 H +ATOM 8481 H2 TIP3A2827 52.834 48.044 31.978 1.00 0.00 H +ATOM 8482 O1 TIP3A2828 39.493 1.047 43.092 1.00 0.00 O +ATOM 8483 H1 TIP3A2828 38.591 0.732 43.036 1.00 0.00 H +ATOM 8484 H2 TIP3A2828 39.850 0.615 43.869 1.00 0.00 H +ATOM 8485 O1 TIP3A2829 4.121 48.897 46.422 1.00 0.00 O +ATOM 8486 H1 TIP3A2829 3.317 48.916 45.903 1.00 0.00 H +ATOM 8487 H2 TIP3A2829 4.729 48.368 45.904 1.00 0.00 H +ATOM 8488 O1 TIP3A2830 3.592 24.713 48.920 1.00 0.00 O +ATOM 8489 H1 TIP3A2830 2.841 24.121 48.890 1.00 0.00 H +ATOM 8490 H2 TIP3A2830 4.117 24.398 49.656 1.00 0.00 H +ATOM 8491 O1 TIP3A2831 44.811 24.620 30.778 1.00 0.00 O +ATOM 8492 H1 TIP3A2831 44.702 25.571 30.775 1.00 0.00 H +ATOM 8493 H2 TIP3A2831 45.719 24.483 31.049 1.00 0.00 H +ATOM 8494 O1 TIP3A2832 47.664 39.381 1.887 1.00 0.00 O +ATOM 8495 H1 TIP3A2832 46.953 39.874 2.295 1.00 0.00 H +ATOM 8496 H2 TIP3A2832 47.260 38.959 1.128 1.00 0.00 H +ATOM 8497 O1 TIP3A2833 11.213 32.590 56.652 1.00 0.00 O +ATOM 8498 H1 TIP3A2833 11.617 32.513 55.788 1.00 0.00 H +ATOM 8499 H2 TIP3A2833 11.950 32.596 57.263 1.00 0.00 H +ATOM 8500 O1 TIP3A2834 6.379 15.287 52.389 1.00 0.00 O +ATOM 8501 H1 TIP3A2834 5.603 15.781 52.651 1.00 0.00 H +ATOM 8502 H2 TIP3A2834 6.385 14.524 52.967 1.00 0.00 H +ATOM 8503 O1 TIP3A2835 26.223 0.819 11.536 1.00 0.00 O +ATOM 8504 H1 TIP3A2835 26.992 0.732 12.099 1.00 0.00 H +ATOM 8505 H2 TIP3A2835 25.507 0.441 12.047 1.00 0.00 H +ATOM 8506 O1 TIP3A2836 38.420 38.119 45.028 1.00 0.00 O +ATOM 8507 H1 TIP3A2836 37.590 38.474 44.710 1.00 0.00 H +ATOM 8508 H2 TIP3A2836 39.087 38.558 44.499 1.00 0.00 H +ATOM 8509 O1 TIP3A2837 4.035 31.388 9.640 1.00 0.00 O +ATOM 8510 H1 TIP3A2837 3.872 30.448 9.714 1.00 0.00 H +ATOM 8511 H2 TIP3A2837 4.734 31.561 10.272 1.00 0.00 H +ATOM 8512 O1 TIP3A2838 25.578 7.639 26.121 1.00 0.00 O +ATOM 8513 H1 TIP3A2838 24.875 7.692 26.767 1.00 0.00 H +ATOM 8514 H2 TIP3A2838 26.073 6.858 26.367 1.00 0.00 H +ATOM 8515 O1 TIP3A2839 54.724 45.407 46.960 1.00 0.00 O +ATOM 8516 H1 TIP3A2839 55.671 45.315 46.860 1.00 0.00 H +ATOM 8517 H2 TIP3A2839 54.597 46.322 47.213 1.00 0.00 H +ATOM 8518 O1 TIP3A2840 33.208 11.862 26.409 1.00 0.00 O +ATOM 8519 H1 TIP3A2840 32.479 11.250 26.501 1.00 0.00 H +ATOM 8520 H2 TIP3A2840 33.030 12.327 25.592 1.00 0.00 H +ATOM 8521 O1 TIP3A2841 18.787 25.671 12.790 1.00 0.00 O +ATOM 8522 H1 TIP3A2841 18.221 26.425 12.626 1.00 0.00 H +ATOM 8523 H2 TIP3A2841 19.639 25.928 12.436 1.00 0.00 H +ATOM 8524 O1 TIP3A2842 27.257 0.782 17.892 1.00 0.00 O +ATOM 8525 H1 TIP3A2842 27.933 1.332 18.286 1.00 0.00 H +ATOM 8526 H2 TIP3A2842 27.232 -0.000 18.445 1.00 0.00 H +ATOM 8527 O1 TIP3A2843 38.897 57.616 41.836 1.00 0.00 O +ATOM 8528 H1 TIP3A2843 39.369 57.207 41.112 1.00 0.00 H +ATOM 8529 H2 TIP3A2843 38.238 56.969 42.090 1.00 0.00 H +ATOM 8530 O1 TIP3A2844 35.447 57.498 35.779 1.00 0.00 O +ATOM 8531 H1 TIP3A2844 35.598 56.667 35.329 1.00 0.00 H +ATOM 8532 H2 TIP3A2844 34.896 58.000 35.178 1.00 0.00 H +ATOM 8533 O1 TIP3A2845 20.397 45.745 3.112 1.00 0.00 O +ATOM 8534 H1 TIP3A2845 21.223 45.298 2.931 1.00 0.00 H +ATOM 8535 H2 TIP3A2845 19.844 45.544 2.356 1.00 0.00 H +ATOM 8536 O1 TIP3A2846 2.975 11.873 21.312 1.00 0.00 O +ATOM 8537 H1 TIP3A2846 3.616 12.582 21.323 1.00 0.00 H +ATOM 8538 H2 TIP3A2846 2.330 12.122 21.975 1.00 0.00 H +ATOM 8539 O1 TIP3A2847 1.205 29.294 6.954 1.00 0.00 O +ATOM 8540 H1 TIP3A2847 0.398 29.389 7.459 1.00 0.00 H +ATOM 8541 H2 TIP3A2847 1.526 28.420 7.177 1.00 0.00 H +ATOM 8542 O1 TIP3A2848 8.477 37.309 8.390 1.00 0.00 O +ATOM 8543 H1 TIP3A2848 8.957 38.130 8.291 1.00 0.00 H +ATOM 8544 H2 TIP3A2848 8.796 36.943 9.216 1.00 0.00 H +ATOM 8545 O1 TIP3A2849 13.777 5.607 50.462 1.00 0.00 O +ATOM 8546 H1 TIP3A2849 13.712 4.782 50.942 1.00 0.00 H +ATOM 8547 H2 TIP3A2849 13.047 5.583 49.842 1.00 0.00 H +ATOM 8548 O1 TIP3A2850 0.345 7.027 47.631 1.00 0.00 O +ATOM 8549 H1 TIP3A2850 0.402 7.339 48.533 1.00 0.00 H +ATOM 8550 H2 TIP3A2850 0.015 7.778 47.137 1.00 0.00 H +ATOM 8551 O1 TIP3A2851 9.517 40.012 47.137 1.00 0.00 O +ATOM 8552 H1 TIP3A2851 10.113 40.286 47.833 1.00 0.00 H +ATOM 8553 H2 TIP3A2851 9.815 40.491 46.363 1.00 0.00 H +ATOM 8554 O1 TIP3A2852 40.631 37.834 8.800 1.00 0.00 O +ATOM 8555 H1 TIP3A2852 39.756 37.453 8.865 1.00 0.00 H +ATOM 8556 H2 TIP3A2852 40.539 38.540 8.159 1.00 0.00 H +ATOM 8557 O1 TIP3A2853 13.703 45.643 55.777 1.00 0.00 O +ATOM 8558 H1 TIP3A2853 13.790 46.247 55.040 1.00 0.00 H +ATOM 8559 H2 TIP3A2853 14.571 45.631 56.182 1.00 0.00 H +ATOM 8560 O1 TIP3A2854 54.196 54.013 31.861 1.00 0.00 O +ATOM 8561 H1 TIP3A2854 54.225 53.961 32.816 1.00 0.00 H +ATOM 8562 H2 TIP3A2854 54.335 53.112 31.568 1.00 0.00 H +ATOM 8563 O1 TIP3A2855 46.129 25.443 45.172 1.00 0.00 O +ATOM 8564 H1 TIP3A2855 45.284 25.032 45.353 1.00 0.00 H +ATOM 8565 H2 TIP3A2855 45.962 26.016 44.424 1.00 0.00 H +ATOM 8566 O1 TIP3A2856 49.766 34.445 26.427 1.00 0.00 O +ATOM 8567 H1 TIP3A2856 50.023 33.647 25.965 1.00 0.00 H +ATOM 8568 H2 TIP3A2856 49.087 34.159 27.039 1.00 0.00 H +ATOM 8569 O1 TIP3A2857 15.771 26.592 36.349 1.00 0.00 O +ATOM 8570 H1 TIP3A2857 16.212 27.031 35.623 1.00 0.00 H +ATOM 8571 H2 TIP3A2857 14.951 26.269 35.973 1.00 0.00 H +ATOM 8572 O1 TIP3A2858 43.215 13.588 29.313 1.00 0.00 O +ATOM 8573 H1 TIP3A2858 42.768 13.270 28.529 1.00 0.00 H +ATOM 8574 H2 TIP3A2858 43.905 14.163 28.980 1.00 0.00 H +ATOM 8575 O1 TIP3A2859 43.598 7.599 35.472 1.00 0.00 O +ATOM 8576 H1 TIP3A2859 44.419 7.109 35.434 1.00 0.00 H +ATOM 8577 H2 TIP3A2859 43.862 8.493 35.694 1.00 0.00 H +ATOM 8578 O1 TIP3A2860 29.724 40.236 57.644 1.00 0.00 O +ATOM 8579 H1 TIP3A2860 30.124 40.364 56.785 1.00 0.00 H +ATOM 8580 H2 TIP3A2860 29.048 39.574 57.498 1.00 0.00 H +ATOM 8581 O1 TIP3A2861 37.314 20.523 22.076 1.00 0.00 O +ATOM 8582 H1 TIP3A2861 38.085 21.063 21.909 1.00 0.00 H +ATOM 8583 H2 TIP3A2861 37.555 19.654 21.754 1.00 0.00 H +ATOM 8584 O1 TIP3A2862 5.901 2.591 26.891 1.00 0.00 O +ATOM 8585 H1 TIP3A2862 5.889 1.688 27.207 1.00 0.00 H +ATOM 8586 H2 TIP3A2862 6.373 2.547 26.058 1.00 0.00 H +ATOM 8587 O1 TIP3A2863 12.171 27.424 41.097 1.00 0.00 O +ATOM 8588 H1 TIP3A2863 12.988 27.876 41.305 1.00 0.00 H +ATOM 8589 H2 TIP3A2863 12.432 26.712 40.512 1.00 0.00 H +ATOM 8590 O1 TIP3A2864 52.631 4.866 30.709 1.00 0.00 O +ATOM 8591 H1 TIP3A2864 51.750 5.111 30.990 1.00 0.00 H +ATOM 8592 H2 TIP3A2864 52.595 3.914 30.609 1.00 0.00 H +ATOM 8593 O1 TIP3A2865 31.788 27.519 12.909 1.00 0.00 O +ATOM 8594 H1 TIP3A2865 31.141 27.190 12.287 1.00 0.00 H +ATOM 8595 H2 TIP3A2865 31.442 27.275 13.768 1.00 0.00 H +ATOM 8596 O1 TIP3A2866 10.334 31.672 35.706 1.00 0.00 O +ATOM 8597 H1 TIP3A2866 10.155 31.849 34.783 1.00 0.00 H +ATOM 8598 H2 TIP3A2866 11.288 31.717 35.778 1.00 0.00 H +ATOM 8599 O1 TIP3A2867 0.378 44.084 38.085 1.00 0.00 O +ATOM 8600 H1 TIP3A2867 1.328 44.131 37.987 1.00 0.00 H +ATOM 8601 H2 TIP3A2867 0.189 44.615 38.859 1.00 0.00 H +ATOM 8602 O1 TIP3A2868 6.584 16.306 37.166 1.00 0.00 O +ATOM 8603 H1 TIP3A2868 6.766 15.660 36.485 1.00 0.00 H +ATOM 8604 H2 TIP3A2868 6.315 17.091 36.688 1.00 0.00 H +ATOM 8605 O1 TIP3A2869 46.784 49.617 26.079 1.00 0.00 O +ATOM 8606 H1 TIP3A2869 46.963 50.552 25.987 1.00 0.00 H +ATOM 8607 H2 TIP3A2869 46.824 49.457 27.023 1.00 0.00 H +ATOM 8608 O1 TIP3A2870 3.509 3.722 28.732 1.00 0.00 O +ATOM 8609 H1 TIP3A2870 3.514 2.769 28.812 1.00 0.00 H +ATOM 8610 H2 TIP3A2870 2.883 3.901 28.030 1.00 0.00 H +ATOM 8611 O1 TIP3A2871 22.169 49.928 27.500 1.00 0.00 O +ATOM 8612 H1 TIP3A2871 22.260 50.130 26.570 1.00 0.00 H +ATOM 8613 H2 TIP3A2871 21.641 50.646 27.851 1.00 0.00 H +ATOM 8614 O1 TIP3A2872 7.970 8.922 38.964 1.00 0.00 O +ATOM 8615 H1 TIP3A2872 7.477 8.102 38.955 1.00 0.00 H +ATOM 8616 H2 TIP3A2872 7.384 9.558 38.552 1.00 0.00 H +ATOM 8617 O1 TIP3A2873 15.301 44.594 30.656 1.00 0.00 O +ATOM 8618 H1 TIP3A2873 14.749 45.206 31.141 1.00 0.00 H +ATOM 8619 H2 TIP3A2873 14.688 43.959 30.285 1.00 0.00 H +ATOM 8620 O1 TIP3A2874 48.243 34.302 6.288 1.00 0.00 O +ATOM 8621 H1 TIP3A2874 48.059 33.497 6.772 1.00 0.00 H +ATOM 8622 H2 TIP3A2874 48.961 34.713 6.771 1.00 0.00 H +ATOM 8623 O1 TIP3A2875 22.571 14.794 30.808 1.00 0.00 O +ATOM 8624 H1 TIP3A2875 21.844 14.175 30.868 1.00 0.00 H +ATOM 8625 H2 TIP3A2875 23.355 14.254 30.907 1.00 0.00 H +ATOM 8626 O1 TIP3A2876 17.094 39.812 21.695 1.00 0.00 O +ATOM 8627 H1 TIP3A2876 17.878 39.574 21.200 1.00 0.00 H +ATOM 8628 H2 TIP3A2876 16.560 39.017 21.696 1.00 0.00 H +ATOM 8629 O1 TIP3A2877 37.435 40.771 12.580 1.00 0.00 O +ATOM 8630 H1 TIP3A2877 36.620 40.359 12.295 1.00 0.00 H +ATOM 8631 H2 TIP3A2877 37.190 41.676 12.775 1.00 0.00 H +ATOM 8632 O1 TIP3A2878 16.159 3.742 44.712 1.00 0.00 O +ATOM 8633 H1 TIP3A2878 15.557 3.514 44.004 1.00 0.00 H +ATOM 8634 H2 TIP3A2878 16.485 2.899 45.031 1.00 0.00 H +ATOM 8635 O1 TIP3A2879 16.899 5.045 32.121 1.00 0.00 O +ATOM 8636 H1 TIP3A2879 16.538 5.841 32.509 1.00 0.00 H +ATOM 8637 H2 TIP3A2879 16.492 4.993 31.256 1.00 0.00 H +ATOM 8638 O1 TIP3A2880 19.152 50.034 57.340 1.00 0.00 O +ATOM 8639 H1 TIP3A2880 19.743 50.143 56.596 1.00 0.00 H +ATOM 8640 H2 TIP3A2880 18.676 50.863 57.392 1.00 0.00 H +ATOM 8641 O1 TIP3A2881 43.886 16.737 0.296 1.00 0.00 O +ATOM 8642 H1 TIP3A2881 44.700 16.289 0.067 1.00 0.00 H +ATOM 8643 H2 TIP3A2881 44.162 17.472 0.844 1.00 0.00 H +ATOM 8644 O1 TIP3A2882 30.521 29.980 33.439 1.00 0.00 O +ATOM 8645 H1 TIP3A2882 30.228 30.606 34.100 1.00 0.00 H +ATOM 8646 H2 TIP3A2882 30.991 29.309 33.936 1.00 0.00 H +ATOM 8647 O1 TIP3A2883 13.509 0.569 30.340 1.00 0.00 O +ATOM 8648 H1 TIP3A2883 14.408 0.257 30.445 1.00 0.00 H +ATOM 8649 H2 TIP3A2883 13.557 1.507 30.526 1.00 0.00 H +ATOM 8650 O1 TIP3A2884 48.800 3.856 47.069 1.00 0.00 O +ATOM 8651 H1 TIP3A2884 49.168 4.414 46.385 1.00 0.00 H +ATOM 8652 H2 TIP3A2884 48.046 4.345 47.399 1.00 0.00 H +ATOM 8653 O1 TIP3A2885 33.808 29.811 19.200 1.00 0.00 O +ATOM 8654 H1 TIP3A2885 34.257 29.251 19.833 1.00 0.00 H +ATOM 8655 H2 TIP3A2885 32.900 29.838 19.506 1.00 0.00 H +ATOM 8656 O1 TIP3A2886 17.140 24.876 18.316 1.00 0.00 O +ATOM 8657 H1 TIP3A2886 17.194 24.332 17.531 1.00 0.00 H +ATOM 8658 H2 TIP3A2886 17.374 24.286 19.033 1.00 0.00 H +ATOM 8659 O1 TIP3A2887 6.642 39.047 8.480 1.00 0.00 O +ATOM 8660 H1 TIP3A2887 6.337 38.290 8.978 1.00 0.00 H +ATOM 8661 H2 TIP3A2887 5.855 39.389 8.055 1.00 0.00 H +ATOM 8662 O1 TIP3A2888 15.847 37.319 0.486 1.00 0.00 O +ATOM 8663 H1 TIP3A2888 14.982 36.926 0.370 1.00 0.00 H +ATOM 8664 H2 TIP3A2888 16.241 36.824 1.205 1.00 0.00 H +ATOM 8665 O1 TIP3A2889 31.956 4.540 19.801 1.00 0.00 O +ATOM 8666 H1 TIP3A2889 31.066 4.563 20.151 1.00 0.00 H +ATOM 8667 H2 TIP3A2889 32.485 4.177 20.512 1.00 0.00 H +ATOM 8668 O1 TIP3A2890 17.049 28.186 39.175 1.00 0.00 O +ATOM 8669 H1 TIP3A2890 17.396 28.891 38.629 1.00 0.00 H +ATOM 8670 H2 TIP3A2890 17.766 27.968 39.771 1.00 0.00 H +ATOM 8671 O1 TIP3A2891 3.319 50.758 5.572 1.00 0.00 O +ATOM 8672 H1 TIP3A2891 2.498 50.268 5.592 1.00 0.00 H +ATOM 8673 H2 TIP3A2891 3.178 51.436 4.910 1.00 0.00 H +ATOM 8674 O1 TIP3A2892 0.479 3.013 34.809 1.00 0.00 O +ATOM 8675 H1 TIP3A2892 1.358 2.677 34.637 1.00 0.00 H +ATOM 8676 H2 TIP3A2892 0.029 2.951 33.967 1.00 0.00 H +ATOM 8677 O1 TIP3A2893 9.646 0.979 3.309 1.00 0.00 O +ATOM 8678 H1 TIP3A2893 8.775 0.593 3.215 1.00 0.00 H +ATOM 8679 H2 TIP3A2893 10.244 0.231 3.283 1.00 0.00 H +ATOM 8680 O1 TIP3A2894 30.191 29.433 7.400 1.00 0.00 O +ATOM 8681 H1 TIP3A2894 29.433 29.576 7.966 1.00 0.00 H +ATOM 8682 H2 TIP3A2894 30.082 28.539 7.073 1.00 0.00 H +ATOM 8683 O1 TIP3A2895 52.074 48.368 43.363 1.00 0.00 O +ATOM 8684 H1 TIP3A2895 52.468 49.237 43.294 1.00 0.00 H +ATOM 8685 H2 TIP3A2895 52.082 48.174 44.301 1.00 0.00 H +ATOM 8686 O1 TIP3A2896 25.499 34.581 54.199 1.00 0.00 O +ATOM 8687 H1 TIP3A2896 26.148 34.173 54.771 1.00 0.00 H +ATOM 8688 H2 TIP3A2896 24.662 34.432 54.641 1.00 0.00 H +ATOM 8689 O1 TIP3A2897 48.332 42.637 8.406 1.00 0.00 O +ATOM 8690 H1 TIP3A2897 49.287 42.579 8.394 1.00 0.00 H +ATOM 8691 H2 TIP3A2897 48.043 41.990 7.762 1.00 0.00 H +ATOM 8692 O1 TIP3A2898 32.729 14.289 26.606 1.00 0.00 O +ATOM 8693 H1 TIP3A2898 32.847 14.541 25.690 1.00 0.00 H +ATOM 8694 H2 TIP3A2898 31.841 13.934 26.645 1.00 0.00 H +ATOM 8695 O1 TIP3A2899 27.283 47.312 41.909 1.00 0.00 O +ATOM 8696 H1 TIP3A2899 27.899 47.804 42.450 1.00 0.00 H +ATOM 8697 H2 TIP3A2899 26.635 47.960 41.633 1.00 0.00 H +ATOM 8698 O1 TIP3A2900 41.920 6.818 43.122 1.00 0.00 O +ATOM 8699 H1 TIP3A2900 41.591 6.654 44.005 1.00 0.00 H +ATOM 8700 H2 TIP3A2900 42.264 7.711 43.156 1.00 0.00 H +ATOM 8701 O1 TIP3A2901 37.979 10.144 12.850 1.00 0.00 O +ATOM 8702 H1 TIP3A2901 37.093 10.495 12.930 1.00 0.00 H +ATOM 8703 H2 TIP3A2901 37.992 9.719 11.992 1.00 0.00 H +ATOM 8704 O1 TIP3A2902 18.853 48.524 31.900 1.00 0.00 O +ATOM 8705 H1 TIP3A2902 18.128 47.917 31.756 1.00 0.00 H +ATOM 8706 H2 TIP3A2902 18.431 49.371 32.048 1.00 0.00 H +ATOM 8707 O1 TIP3A2903 46.649 1.606 33.901 1.00 0.00 O +ATOM 8708 H1 TIP3A2903 46.921 1.130 33.118 1.00 0.00 H +ATOM 8709 H2 TIP3A2903 45.985 2.222 33.590 1.00 0.00 H +ATOM 8710 O1 TIP3A2904 54.316 55.120 53.355 1.00 0.00 O +ATOM 8711 H1 TIP3A2904 53.860 55.961 53.348 1.00 0.00 H +ATOM 8712 H2 TIP3A2904 55.053 55.241 52.755 1.00 0.00 H +ATOM 8713 O1 TIP3A2905 22.678 38.873 3.728 1.00 0.00 O +ATOM 8714 H1 TIP3A2905 23.131 39.576 3.264 1.00 0.00 H +ATOM 8715 H2 TIP3A2905 23.239 38.681 4.480 1.00 0.00 H +ATOM 8716 O1 TIP3A2906 12.835 46.005 18.557 1.00 0.00 O +ATOM 8717 H1 TIP3A2906 12.104 45.398 18.447 1.00 0.00 H +ATOM 8718 H2 TIP3A2906 13.388 45.596 19.224 1.00 0.00 H +ATOM 8719 O1 TIP3A2907 49.901 36.149 45.174 1.00 0.00 O +ATOM 8720 H1 TIP3A2907 49.240 35.776 44.592 1.00 0.00 H +ATOM 8721 H2 TIP3A2907 49.634 35.869 46.051 1.00 0.00 H +ATOM 8722 O1 TIP3A2908 49.613 2.933 17.671 1.00 0.00 O +ATOM 8723 H1 TIP3A2908 50.204 2.186 17.587 1.00 0.00 H +ATOM 8724 H2 TIP3A2908 49.486 3.242 16.773 1.00 0.00 H +ATOM 8725 O1 TIP3A2909 15.785 7.941 1.302 1.00 0.00 O +ATOM 8726 H1 TIP3A2909 15.352 8.724 1.641 1.00 0.00 H +ATOM 8727 H2 TIP3A2909 15.206 7.628 0.606 1.00 0.00 H +ATOM 8728 O1 TIP3A2910 40.010 0.001 52.063 1.00 0.00 O +ATOM 8729 H1 TIP3A2910 39.116 -0.000 51.722 1.00 0.00 H +ATOM 8730 H2 TIP3A2910 40.299 0.909 51.977 1.00 0.00 H +ATOM 8731 O1 TIP3A2911 8.686 34.112 20.656 1.00 0.00 O +ATOM 8732 H1 TIP3A2911 9.209 34.802 21.062 1.00 0.00 H +ATOM 8733 H2 TIP3A2911 9.213 33.819 19.911 1.00 0.00 H +ATOM 8734 O1 TIP3A2912 29.356 23.849 48.330 1.00 0.00 O +ATOM 8735 H1 TIP3A2912 29.107 23.768 47.410 1.00 0.00 H +ATOM 8736 H2 TIP3A2912 30.308 23.745 48.331 1.00 0.00 H +ATOM 8737 O1 TIP3A2913 31.142 16.531 0.156 1.00 0.00 O +ATOM 8738 H1 TIP3A2913 31.919 16.078 0.481 1.00 0.00 H +ATOM 8739 H2 TIP3A2913 30.595 16.657 0.932 1.00 0.00 H +ATOM 8740 O1 TIP3A2914 56.374 5.521 41.733 1.00 0.00 O +ATOM 8741 H1 TIP3A2914 56.443 5.777 42.652 1.00 0.00 H +ATOM 8742 H2 TIP3A2914 56.703 6.278 41.247 1.00 0.00 H +ATOM 8743 O1 TIP3A2915 39.928 30.808 45.107 1.00 0.00 O +ATOM 8744 H1 TIP3A2915 40.727 30.945 44.599 1.00 0.00 H +ATOM 8745 H2 TIP3A2915 39.359 31.539 44.862 1.00 0.00 H +ATOM 8746 O1 TIP3A2916 52.287 19.272 12.906 1.00 0.00 O +ATOM 8747 H1 TIP3A2916 51.722 20.039 12.997 1.00 0.00 H +ATOM 8748 H2 TIP3A2916 52.820 19.457 12.132 1.00 0.00 H +ATOM 8749 O1 TIP3A2917 26.539 51.630 32.437 1.00 0.00 O +ATOM 8750 H1 TIP3A2917 25.964 52.300 32.069 1.00 0.00 H +ATOM 8751 H2 TIP3A2917 27.321 51.656 31.886 1.00 0.00 H +ATOM 8752 O1 TIP3A2918 28.876 27.901 55.439 1.00 0.00 O +ATOM 8753 H1 TIP3A2918 28.961 27.698 56.370 1.00 0.00 H +ATOM 8754 H2 TIP3A2918 28.008 27.573 55.200 1.00 0.00 H +ATOM 8755 O1 TIP3A2919 55.186 26.631 56.400 1.00 0.00 O +ATOM 8756 H1 TIP3A2919 54.511 25.977 56.224 1.00 0.00 H +ATOM 8757 H2 TIP3A2919 54.699 27.427 56.615 1.00 0.00 H +ATOM 8758 O1 TIP3A2920 52.641 6.745 38.001 1.00 0.00 O +ATOM 8759 H1 TIP3A2920 53.015 6.656 38.878 1.00 0.00 H +ATOM 8760 H2 TIP3A2920 53.345 6.472 37.412 1.00 0.00 H +ATOM 8761 O1 TIP3A2921 36.088 38.263 21.634 1.00 0.00 O +ATOM 8762 H1 TIP3A2921 35.190 38.480 21.881 1.00 0.00 H +ATOM 8763 H2 TIP3A2921 36.528 39.111 21.563 1.00 0.00 H +ATOM 8764 O1 TIP3A2922 3.382 43.370 52.547 1.00 0.00 O +ATOM 8765 H1 TIP3A2922 4.231 43.004 52.791 1.00 0.00 H +ATOM 8766 H2 TIP3A2922 3.043 42.767 51.884 1.00 0.00 H +ATOM 8767 O1 TIP3A2923 29.209 28.199 33.276 1.00 0.00 O +ATOM 8768 H1 TIP3A2923 29.415 27.303 33.538 1.00 0.00 H +ATOM 8769 H2 TIP3A2923 28.809 28.591 34.053 1.00 0.00 H +ATOM 8770 O1 TIP3A2924 25.933 16.986 1.584 1.00 0.00 O +ATOM 8771 H1 TIP3A2924 26.211 17.868 1.831 1.00 0.00 H +ATOM 8772 H2 TIP3A2924 26.241 16.881 0.683 1.00 0.00 H +ATOM 8773 O1 TIP3A2925 31.464 24.528 8.596 1.00 0.00 O +ATOM 8774 H1 TIP3A2925 32.382 24.297 8.736 1.00 0.00 H +ATOM 8775 H2 TIP3A2925 31.149 23.885 7.959 1.00 0.00 H +ATOM 8776 O1 TIP3A2926 21.723 46.423 6.909 1.00 0.00 O +ATOM 8777 H1 TIP3A2926 21.576 47.160 6.316 1.00 0.00 H +ATOM 8778 H2 TIP3A2926 20.845 46.154 7.180 1.00 0.00 H +ATOM 8779 O1 TIP3A2927 7.811 2.311 41.557 1.00 0.00 O +ATOM 8780 H1 TIP3A2927 8.761 2.412 41.512 1.00 0.00 H +ATOM 8781 H2 TIP3A2927 7.665 1.371 41.445 1.00 0.00 H +ATOM 8782 O1 TIP3A2928 36.505 9.999 16.313 1.00 0.00 O +ATOM 8783 H1 TIP3A2928 36.721 10.040 15.382 1.00 0.00 H +ATOM 8784 H2 TIP3A2928 37.082 9.320 16.664 1.00 0.00 H +ATOM 8785 O1 TIP3A2929 34.212 22.970 13.754 1.00 0.00 O +ATOM 8786 H1 TIP3A2929 33.285 23.197 13.679 1.00 0.00 H +ATOM 8787 H2 TIP3A2929 34.617 23.742 14.150 1.00 0.00 H +ATOM 8788 O1 TIP3A2930 56.033 37.126 22.928 1.00 0.00 O +ATOM 8789 H1 TIP3A2930 56.055 38.080 22.864 1.00 0.00 H +ATOM 8790 H2 TIP3A2930 55.373 36.946 23.598 1.00 0.00 H +ATOM 8791 O1 TIP3A2931 1.118 7.094 24.204 1.00 0.00 O +ATOM 8792 H1 TIP3A2931 1.708 7.711 23.773 1.00 0.00 H +ATOM 8793 H2 TIP3A2931 0.262 7.264 23.809 1.00 0.00 H +ATOM 8794 O1 TIP3A2932 8.010 49.636 10.251 1.00 0.00 O +ATOM 8795 H1 TIP3A2932 8.478 49.438 9.441 1.00 0.00 H +ATOM 8796 H2 TIP3A2932 7.696 50.533 10.134 1.00 0.00 H +ATOM 8797 O1 TIP3A2933 20.500 1.729 4.748 1.00 0.00 O +ATOM 8798 H1 TIP3A2933 20.176 1.881 5.636 1.00 0.00 H +ATOM 8799 H2 TIP3A2933 20.505 2.597 4.343 1.00 0.00 H +ATOM 8800 O1 TIP3A2934 40.062 32.858 27.532 1.00 0.00 O +ATOM 8801 H1 TIP3A2934 39.280 32.791 26.987 1.00 0.00 H +ATOM 8802 H2 TIP3A2934 40.634 32.156 27.221 1.00 0.00 H +ATOM 8803 O1 TIP3A2935 40.963 30.487 36.094 1.00 0.00 O +ATOM 8804 H1 TIP3A2935 40.567 31.357 36.115 1.00 0.00 H +ATOM 8805 H2 TIP3A2935 41.156 30.333 35.169 1.00 0.00 H +ATOM 8806 O1 TIP3A2936 25.021 45.698 40.016 1.00 0.00 O +ATOM 8807 H1 TIP3A2936 24.671 45.467 39.156 1.00 0.00 H +ATOM 8808 H2 TIP3A2936 25.083 46.654 40.001 1.00 0.00 H +ATOM 8809 O1 TIP3A2937 19.921 21.991 53.148 1.00 0.00 O +ATOM 8810 H1 TIP3A2937 19.217 22.143 53.778 1.00 0.00 H +ATOM 8811 H2 TIP3A2937 20.623 22.580 53.426 1.00 0.00 H +ATOM 8812 O1 TIP3A2938 34.746 4.100 19.026 1.00 0.00 O +ATOM 8813 H1 TIP3A2938 34.976 3.965 18.107 1.00 0.00 H +ATOM 8814 H2 TIP3A2938 34.170 3.365 19.239 1.00 0.00 H +ATOM 8815 O1 TIP3A2939 48.484 9.352 6.394 1.00 0.00 O +ATOM 8816 H1 TIP3A2939 47.865 9.862 5.872 1.00 0.00 H +ATOM 8817 H2 TIP3A2939 48.995 10.008 6.869 1.00 0.00 H +ATOM 8818 O1 TIP3A2940 53.122 4.488 27.840 1.00 0.00 O +ATOM 8819 H1 TIP3A2940 52.175 4.362 27.894 1.00 0.00 H +ATOM 8820 H2 TIP3A2940 53.483 3.877 28.483 1.00 0.00 H +ATOM 8821 O1 TIP3A2941 56.675 39.987 36.123 1.00 0.00 O +ATOM 8822 H1 TIP3A2941 57.495 40.376 36.426 1.00 0.00 H +ATOM 8823 H2 TIP3A2941 56.912 39.524 35.319 1.00 0.00 H +ATOM 8824 O1 TIP3A2942 24.453 26.319 30.927 1.00 0.00 O +ATOM 8825 H1 TIP3A2942 24.001 27.162 30.920 1.00 0.00 H +ATOM 8826 H2 TIP3A2942 25.285 26.490 30.484 1.00 0.00 H +ATOM 8827 O1 TIP3A2943 21.812 44.791 37.819 1.00 0.00 O +ATOM 8828 H1 TIP3A2943 22.107 44.488 36.961 1.00 0.00 H +ATOM 8829 H2 TIP3A2943 22.620 44.982 38.297 1.00 0.00 H +ATOM 8830 O1 TIP3A2944 51.953 12.800 45.501 1.00 0.00 O +ATOM 8831 H1 TIP3A2944 52.435 13.488 45.958 1.00 0.00 H +ATOM 8832 H2 TIP3A2944 52.562 12.061 45.470 1.00 0.00 H +ATOM 8833 O1 TIP3A2945 9.349 54.803 7.140 1.00 0.00 O +ATOM 8834 H1 TIP3A2945 8.465 55.152 7.249 1.00 0.00 H +ATOM 8835 H2 TIP3A2945 9.759 54.916 7.998 1.00 0.00 H +ATOM 8836 O1 TIP3A2946 55.611 31.914 6.642 1.00 0.00 O +ATOM 8837 H1 TIP3A2946 55.868 31.319 5.939 1.00 0.00 H +ATOM 8838 H2 TIP3A2946 56.121 32.709 6.483 1.00 0.00 H +ATOM 8839 O1 TIP3A2947 37.321 3.794 5.765 1.00 0.00 O +ATOM 8840 H1 TIP3A2947 36.839 2.971 5.694 1.00 0.00 H +ATOM 8841 H2 TIP3A2947 36.901 4.375 5.130 1.00 0.00 H +ATOM 8842 O1 TIP3A2948 24.753 12.678 18.182 1.00 0.00 O +ATOM 8843 H1 TIP3A2948 23.797 12.705 18.162 1.00 0.00 H +ATOM 8844 H2 TIP3A2948 24.977 12.776 19.108 1.00 0.00 H +ATOM 8845 O1 TIP3A2949 56.027 45.779 27.069 1.00 0.00 O +ATOM 8846 H1 TIP3A2949 56.134 46.678 27.376 1.00 0.00 H +ATOM 8847 H2 TIP3A2949 55.792 45.866 26.144 1.00 0.00 H +ATOM 8848 O1 TIP3A2950 25.121 58.002 44.724 1.00 0.00 O +ATOM 8849 H1 TIP3A2950 25.789 57.417 45.080 1.00 0.00 H +ATOM 8850 H2 TIP3A2950 24.418 57.417 44.439 1.00 0.00 H +ATOM 8851 O1 TIP3A2951 16.162 18.070 4.238 1.00 0.00 O +ATOM 8852 H1 TIP3A2951 16.086 18.397 3.343 1.00 0.00 H +ATOM 8853 H2 TIP3A2951 17.084 18.198 4.463 1.00 0.00 H +ATOM 8854 O1 TIP3A2952 49.756 25.176 5.135 1.00 0.00 O +ATOM 8855 H1 TIP3A2952 48.801 25.223 5.107 1.00 0.00 H +ATOM 8856 H2 TIP3A2952 49.962 25.037 6.060 1.00 0.00 H +ATOM 8857 O1 TIP3A2953 26.983 36.311 -0.003 1.00 0.00 O +ATOM 8858 H1 TIP3A2953 27.646 35.838 0.498 1.00 0.00 H +ATOM 8859 H2 TIP3A2953 26.208 35.750 0.035 1.00 0.00 H +ATOM 8860 O1 TIP3A2954 38.071 56.890 36.905 1.00 0.00 O +ATOM 8861 H1 TIP3A2954 37.126 56.853 37.048 1.00 0.00 H +ATOM 8862 H2 TIP3A2954 38.451 56.618 37.741 1.00 0.00 H +ATOM 8863 O1 TIP3A2955 24.102 8.220 20.964 1.00 0.00 O +ATOM 8864 H1 TIP3A2955 23.659 8.931 21.426 1.00 0.00 H +ATOM 8865 H2 TIP3A2955 23.410 7.796 20.456 1.00 0.00 H +ATOM 8866 O1 TIP3A2956 35.419 36.917 4.940 1.00 0.00 O +ATOM 8867 H1 TIP3A2956 36.140 36.341 5.190 1.00 0.00 H +ATOM 8868 H2 TIP3A2956 35.428 36.912 3.982 1.00 0.00 H +ATOM 8869 O1 TIP3A2957 13.651 8.628 46.679 1.00 0.00 O +ATOM 8870 H1 TIP3A2957 14.093 9.465 46.822 1.00 0.00 H +ATOM 8871 H2 TIP3A2957 14.346 8.036 46.390 1.00 0.00 H +ATOM 8872 O1 TIP3A2958 15.398 4.436 52.679 1.00 0.00 O +ATOM 8873 H1 TIP3A2958 15.848 4.040 53.424 1.00 0.00 H +ATOM 8874 H2 TIP3A2958 16.087 4.572 52.027 1.00 0.00 H +ATOM 8875 O1 TIP3A2959 29.696 26.231 46.299 1.00 0.00 O +ATOM 8876 H1 TIP3A2959 29.683 25.538 45.639 1.00 0.00 H +ATOM 8877 H2 TIP3A2959 29.096 25.926 46.980 1.00 0.00 H +ATOM 8878 O1 TIP3A2960 6.351 9.709 23.637 1.00 0.00 O +ATOM 8879 H1 TIP3A2960 5.584 9.157 23.490 1.00 0.00 H +ATOM 8880 H2 TIP3A2960 6.295 10.383 22.958 1.00 0.00 H +ATOM 8881 O1 TIP3A2961 35.448 10.163 40.184 1.00 0.00 O +ATOM 8882 H1 TIP3A2961 36.294 10.526 39.925 1.00 0.00 H +ATOM 8883 H2 TIP3A2961 35.018 9.941 39.357 1.00 0.00 H +ATOM 8884 O1 TIP3A2962 19.751 15.171 28.850 1.00 0.00 O +ATOM 8885 H1 TIP3A2962 19.911 15.755 28.110 1.00 0.00 H +ATOM 8886 H2 TIP3A2962 20.612 15.054 29.254 1.00 0.00 H +ATOM 8887 O1 TIP3A2963 32.568 41.361 4.677 1.00 0.00 O +ATOM 8888 H1 TIP3A2963 33.282 40.953 4.190 1.00 0.00 H +ATOM 8889 H2 TIP3A2963 31.778 40.924 4.359 1.00 0.00 H +ATOM 8890 O1 TIP3A2964 55.526 9.501 45.042 1.00 0.00 O +ATOM 8891 H1 TIP3A2964 55.937 9.929 44.291 1.00 0.00 H +ATOM 8892 H2 TIP3A2964 55.861 8.604 45.020 1.00 0.00 H +ATOM 8893 O1 TIP3A2965 27.820 5.401 50.921 1.00 0.00 O +ATOM 8894 H1 TIP3A2965 28.176 6.249 51.183 1.00 0.00 H +ATOM 8895 H2 TIP3A2965 26.899 5.436 51.182 1.00 0.00 H +ATOM 8896 O1 TIP3A2966 1.001 22.768 6.074 1.00 0.00 O +ATOM 8897 H1 TIP3A2966 0.077 22.680 6.305 1.00 0.00 H +ATOM 8898 H2 TIP3A2966 1.356 23.373 6.726 1.00 0.00 H +ATOM 8899 O1 TIP3A2967 47.641 2.157 3.679 1.00 0.00 O +ATOM 8900 H1 TIP3A2967 47.514 1.449 4.310 1.00 0.00 H +ATOM 8901 H2 TIP3A2967 46.790 2.253 3.251 1.00 0.00 H +ATOM 8902 O1 TIP3A2968 50.361 44.736 10.166 1.00 0.00 O +ATOM 8903 H1 TIP3A2968 49.473 45.090 10.130 1.00 0.00 H +ATOM 8904 H2 TIP3A2968 50.824 45.177 9.453 1.00 0.00 H +ATOM 8905 O1 TIP3A2969 13.475 27.307 16.664 1.00 0.00 O +ATOM 8906 H1 TIP3A2969 13.361 27.109 15.735 1.00 0.00 H +ATOM 8907 H2 TIP3A2969 13.850 26.508 17.036 1.00 0.00 H +ATOM 8908 O1 TIP3A2970 31.206 11.937 40.436 1.00 0.00 O +ATOM 8909 H1 TIP3A2970 30.283 12.037 40.207 1.00 0.00 H +ATOM 8910 H2 TIP3A2970 31.308 12.432 41.249 1.00 0.00 H +ATOM 8911 O1 TIP3A2971 1.534 57.274 34.755 1.00 0.00 O +ATOM 8912 H1 TIP3A2971 1.951 58.070 34.428 1.00 0.00 H +ATOM 8913 H2 TIP3A2971 0.686 57.567 35.090 1.00 0.00 H +ATOM 8914 O1 TIP3A2972 32.711 42.267 36.696 1.00 0.00 O +ATOM 8915 H1 TIP3A2972 33.666 42.278 36.745 1.00 0.00 H +ATOM 8916 H2 TIP3A2972 32.433 42.981 37.271 1.00 0.00 H +ATOM 8917 O1 TIP3A2973 48.207 50.678 35.703 1.00 0.00 O +ATOM 8918 H1 TIP3A2973 48.826 50.899 36.398 1.00 0.00 H +ATOM 8919 H2 TIP3A2973 48.543 51.131 34.929 1.00 0.00 H +ATOM 8920 O1 TIP3A2974 22.297 15.751 46.394 1.00 0.00 O +ATOM 8921 H1 TIP3A2974 21.619 15.083 46.292 1.00 0.00 H +ATOM 8922 H2 TIP3A2974 22.534 15.992 45.498 1.00 0.00 H +ATOM 8923 O1 TIP3A2975 11.649 29.874 6.398 1.00 0.00 O +ATOM 8924 H1 TIP3A2975 10.914 29.302 6.180 1.00 0.00 H +ATOM 8925 H2 TIP3A2975 11.544 30.630 5.820 1.00 0.00 H +ATOM 8926 O1 TIP3A2976 33.773 49.906 26.229 1.00 0.00 O +ATOM 8927 H1 TIP3A2976 33.518 48.985 26.271 1.00 0.00 H +ATOM 8928 H2 TIP3A2976 34.500 49.982 26.848 1.00 0.00 H +ATOM 8929 O1 TIP3A2977 21.015 34.442 0.772 1.00 0.00 O +ATOM 8930 H1 TIP3A2977 20.376 33.815 1.109 1.00 0.00 H +ATOM 8931 H2 TIP3A2977 21.272 34.957 1.537 1.00 0.00 H +ATOM 8932 O1 TIP3A2978 12.749 57.845 52.842 1.00 0.00 O +ATOM 8933 H1 TIP3A2978 12.777 56.915 52.620 1.00 0.00 H +ATOM 8934 H2 TIP3A2978 12.634 57.862 53.793 1.00 0.00 H +ATOM 8935 O1 TIP3A2979 3.769 20.054 11.690 1.00 0.00 O +ATOM 8936 H1 TIP3A2979 3.026 19.563 12.039 1.00 0.00 H +ATOM 8937 H2 TIP3A2979 4.530 19.503 11.877 1.00 0.00 H +ATOM 8938 O1 TIP3A2980 39.913 10.776 41.967 1.00 0.00 O +ATOM 8939 H1 TIP3A2980 40.570 10.474 41.341 1.00 0.00 H +ATOM 8940 H2 TIP3A2980 40.422 11.098 42.712 1.00 0.00 H +ATOM 8941 O1 TIP3A2981 33.231 39.893 14.836 1.00 0.00 O +ATOM 8942 H1 TIP3A2981 33.040 39.902 13.898 1.00 0.00 H +ATOM 8943 H2 TIP3A2981 33.602 40.759 15.013 1.00 0.00 H +ATOM 8944 O1 TIP3A2982 49.091 2.270 42.625 1.00 0.00 O +ATOM 8945 H1 TIP3A2982 48.874 3.201 42.595 1.00 0.00 H +ATOM 8946 H2 TIP3A2982 49.755 2.156 41.944 1.00 0.00 H +ATOM 8947 O1 TIP3A2983 42.357 49.006 30.269 1.00 0.00 O +ATOM 8948 H1 TIP3A2983 41.742 49.597 29.835 1.00 0.00 H +ATOM 8949 H2 TIP3A2983 43.115 49.555 30.471 1.00 0.00 H +ATOM 8950 O1 TIP3A2984 3.049 18.611 49.637 1.00 0.00 O +ATOM 8951 H1 TIP3A2984 2.569 18.160 50.330 1.00 0.00 H +ATOM 8952 H2 TIP3A2984 2.582 18.380 48.833 1.00 0.00 H +ATOM 8953 O1 TIP3A2985 46.225 33.641 33.924 1.00 0.00 O +ATOM 8954 H1 TIP3A2985 45.361 33.531 33.529 1.00 0.00 H +ATOM 8955 H2 TIP3A2985 46.335 32.869 34.480 1.00 0.00 H +ATOM 8956 O1 TIP3A2986 26.753 14.358 16.454 1.00 0.00 O +ATOM 8957 H1 TIP3A2986 26.677 14.153 15.522 1.00 0.00 H +ATOM 8958 H2 TIP3A2986 27.693 14.323 16.632 1.00 0.00 H +ATOM 8959 O1 TIP3A2987 6.399 32.612 41.675 1.00 0.00 O +ATOM 8960 H1 TIP3A2987 7.218 32.182 41.920 1.00 0.00 H +ATOM 8961 H2 TIP3A2987 6.622 33.542 41.624 1.00 0.00 H +ATOM 8962 O1 TIP3A2988 20.778 5.067 15.213 1.00 0.00 O +ATOM 8963 H1 TIP3A2988 20.275 5.246 16.007 1.00 0.00 H +ATOM 8964 H2 TIP3A2988 21.050 5.931 14.902 1.00 0.00 H +ATOM 8965 O1 TIP3A2989 33.614 30.015 48.450 1.00 0.00 O +ATOM 8966 H1 TIP3A2989 34.496 29.706 48.656 1.00 0.00 H +ATOM 8967 H2 TIP3A2989 33.554 30.870 48.878 1.00 0.00 H +ATOM 8968 O1 TIP3A2990 18.869 27.394 45.448 1.00 0.00 O +ATOM 8969 H1 TIP3A2990 19.263 27.966 46.106 1.00 0.00 H +ATOM 8970 H2 TIP3A2990 19.405 27.524 44.665 1.00 0.00 H +ATOM 8971 O1 TIP3A2991 27.381 7.776 45.165 1.00 0.00 O +ATOM 8972 H1 TIP3A2991 27.316 8.718 45.322 1.00 0.00 H +ATOM 8973 H2 TIP3A2991 26.970 7.376 45.931 1.00 0.00 H +ATOM 8974 O1 TIP3A2992 7.143 3.027 32.872 1.00 0.00 O +ATOM 8975 H1 TIP3A2992 7.852 3.468 33.339 1.00 0.00 H +ATOM 8976 H2 TIP3A2992 6.822 2.369 33.490 1.00 0.00 H +ATOM 8977 O1 TIP3A2993 27.359 35.145 46.982 1.00 0.00 O +ATOM 8978 H1 TIP3A2993 28.005 34.783 46.377 1.00 0.00 H +ATOM 8979 H2 TIP3A2993 27.239 34.462 47.642 1.00 0.00 H +ATOM 8980 O1 TIP3A2994 56.181 14.634 15.548 1.00 0.00 O +ATOM 8981 H1 TIP3A2994 56.785 14.908 16.238 1.00 0.00 H +ATOM 8982 H2 TIP3A2994 56.598 13.866 15.155 1.00 0.00 H +ATOM 8983 O1 TIP3A2995 38.800 3.029 17.739 1.00 0.00 O +ATOM 8984 H1 TIP3A2995 38.784 3.538 16.929 1.00 0.00 H +ATOM 8985 H2 TIP3A2995 37.884 2.993 18.018 1.00 0.00 H +ATOM 8986 O1 TIP3A2996 9.767 47.931 8.251 1.00 0.00 O +ATOM 8987 H1 TIP3A2996 8.863 47.684 8.060 1.00 0.00 H +ATOM 8988 H2 TIP3A2996 9.945 48.664 7.660 1.00 0.00 H +ATOM 8989 O1 TIP3A2997 36.859 13.022 47.748 1.00 0.00 O +ATOM 8990 H1 TIP3A2997 36.409 13.758 48.160 1.00 0.00 H +ATOM 8991 H2 TIP3A2997 36.156 12.429 47.482 1.00 0.00 H +ATOM 8992 O1 TIP3A2998 0.793 46.562 36.508 1.00 0.00 O +ATOM 8993 H1 TIP3A2998 0.015 46.168 36.116 1.00 0.00 H +ATOM 8994 H2 TIP3A2998 1.097 47.195 35.857 1.00 0.00 H +ATOM 8995 O1 TIP3A2999 39.316 51.047 47.888 1.00 0.00 O +ATOM 8996 H1 TIP3A2999 40.232 51.037 48.165 1.00 0.00 H +ATOM 8997 H2 TIP3A2999 39.242 50.311 47.280 1.00 0.00 H +ATOM 8998 O1 TIP3A3000 25.682 20.797 12.679 1.00 0.00 O +ATOM 8999 H1 TIP3A3000 26.271 21.456 13.044 1.00 0.00 H +ATOM 9000 H2 TIP3A3000 25.026 20.656 13.362 1.00 0.00 H +ATOM 9001 O1 TIP3A3001 23.980 41.861 33.433 1.00 0.00 O +ATOM 9002 H1 TIP3A3001 24.903 41.686 33.611 1.00 0.00 H +ATOM 9003 H2 TIP3A3001 23.873 42.795 33.617 1.00 0.00 H +ATOM 9004 O1 TIP3A3002 17.466 55.861 32.222 1.00 0.00 O +ATOM 9005 H1 TIP3A3002 16.928 56.151 31.486 1.00 0.00 H +ATOM 9006 H2 TIP3A3002 17.017 55.084 32.557 1.00 0.00 H +ATOM 9007 O1 TIP3A3003 53.275 7.393 13.725 1.00 0.00 O +ATOM 9008 H1 TIP3A3003 52.813 7.703 14.504 1.00 0.00 H +ATOM 9009 H2 TIP3A3003 53.245 6.438 13.793 1.00 0.00 H +ATOM 9010 O1 TIP3A3004 34.554 4.424 51.956 1.00 0.00 O +ATOM 9011 H1 TIP3A3004 35.496 4.310 51.836 1.00 0.00 H +ATOM 9012 H2 TIP3A3004 34.400 4.192 52.872 1.00 0.00 H +ATOM 9013 O1 TIP3A3005 54.932 50.049 43.361 1.00 0.00 O +ATOM 9014 H1 TIP3A3005 55.263 50.945 43.407 1.00 0.00 H +ATOM 9015 H2 TIP3A3005 55.521 49.607 42.749 1.00 0.00 H +ATOM 9016 O1 TIP3A3006 30.864 53.381 4.623 1.00 0.00 O +ATOM 9017 H1 TIP3A3006 29.995 53.465 4.232 1.00 0.00 H +ATOM 9018 H2 TIP3A3006 30.735 52.795 5.370 1.00 0.00 H +ATOM 9019 O1 TIP3A3007 13.186 40.348 12.665 1.00 0.00 O +ATOM 9020 H1 TIP3A3007 13.968 40.898 12.662 1.00 0.00 H +ATOM 9021 H2 TIP3A3007 13.374 39.661 12.024 1.00 0.00 H +ATOM 9022 O1 TIP3A3008 11.030 49.621 10.438 1.00 0.00 O +ATOM 9023 H1 TIP3A3008 10.529 48.864 10.741 1.00 0.00 H +ATOM 9024 H2 TIP3A3008 10.757 49.741 9.528 1.00 0.00 H +ATOM 9025 O1 TIP3A3009 1.447 44.850 47.714 1.00 0.00 O +ATOM 9026 H1 TIP3A3009 1.213 44.913 46.789 1.00 0.00 H +ATOM 9027 H2 TIP3A3009 2.157 44.208 47.739 1.00 0.00 H +ATOM 9028 O1 TIP3A3010 33.619 7.284 11.965 1.00 0.00 O +ATOM 9029 H1 TIP3A3010 34.521 7.603 11.958 1.00 0.00 H +ATOM 9030 H2 TIP3A3010 33.173 7.838 12.606 1.00 0.00 H +ATOM 9031 O1 TIP3A3011 46.962 33.530 23.971 1.00 0.00 O +ATOM 9032 H1 TIP3A3011 46.372 32.826 24.236 1.00 0.00 H +ATOM 9033 H2 TIP3A3011 47.708 33.456 24.567 1.00 0.00 H +ATOM 9034 O1 TIP3A3012 22.387 53.909 38.266 1.00 0.00 O +ATOM 9035 H1 TIP3A3012 22.512 54.560 38.957 1.00 0.00 H +ATOM 9036 H2 TIP3A3012 21.516 53.547 38.432 1.00 0.00 H +ATOM 9037 O1 TIP3A3013 35.944 4.485 46.536 1.00 0.00 O +ATOM 9038 H1 TIP3A3013 35.774 5.058 47.283 1.00 0.00 H +ATOM 9039 H2 TIP3A3013 35.229 3.847 46.556 1.00 0.00 H +ATOM 9040 O1 TIP3A3014 51.797 53.355 48.678 1.00 0.00 O +ATOM 9041 H1 TIP3A3014 51.656 53.780 47.832 1.00 0.00 H +ATOM 9042 H2 TIP3A3014 51.777 54.072 49.313 1.00 0.00 H +ATOM 9043 O1 TIP3A3015 28.257 16.470 4.713 1.00 0.00 O +ATOM 9044 H1 TIP3A3015 28.962 15.956 5.104 1.00 0.00 H +ATOM 9045 H2 TIP3A3015 27.576 15.827 4.509 1.00 0.00 H +ATOM 9046 O1 TIP3A3016 21.762 34.347 46.864 1.00 0.00 O +ATOM 9047 H1 TIP3A3016 21.432 35.181 47.199 1.00 0.00 H +ATOM 9048 H2 TIP3A3016 22.697 34.500 46.720 1.00 0.00 H +ATOM 9049 O1 TIP3A3017 32.332 32.606 26.812 1.00 0.00 O +ATOM 9050 H1 TIP3A3017 31.797 31.864 26.532 1.00 0.00 H +ATOM 9051 H2 TIP3A3017 33.032 32.213 27.334 1.00 0.00 H +ATOM 9052 O1 TIP3A3018 16.392 54.817 55.021 1.00 0.00 O +ATOM 9053 H1 TIP3A3018 16.634 55.739 55.103 1.00 0.00 H +ATOM 9054 H2 TIP3A3018 16.890 54.505 54.265 1.00 0.00 H +ATOM 9055 O1 TIP3A3019 32.005 6.587 15.070 1.00 0.00 O +ATOM 9056 H1 TIP3A3019 32.048 5.651 15.262 1.00 0.00 H +ATOM 9057 H2 TIP3A3019 32.734 6.966 15.562 1.00 0.00 H +ATOM 9058 O1 TIP3A3020 10.806 31.174 13.591 1.00 0.00 O +ATOM 9059 H1 TIP3A3020 9.991 30.841 13.217 1.00 0.00 H +ATOM 9060 H2 TIP3A3020 10.831 30.810 14.476 1.00 0.00 H +ATOM 9061 O1 TIP3A3021 53.823 5.857 1.864 1.00 0.00 O +ATOM 9062 H1 TIP3A3021 54.744 6.106 1.937 1.00 0.00 H +ATOM 9063 H2 TIP3A3021 53.471 5.981 2.746 1.00 0.00 H +ATOM 9064 O1 TIP3A3022 10.195 24.018 40.953 1.00 0.00 O +ATOM 9065 H1 TIP3A3022 10.969 23.466 40.844 1.00 0.00 H +ATOM 9066 H2 TIP3A3022 9.539 23.437 41.340 1.00 0.00 H +ATOM 9067 O1 TIP3A3023 20.930 43.174 24.302 1.00 0.00 O +ATOM 9068 H1 TIP3A3023 21.682 43.661 24.636 1.00 0.00 H +ATOM 9069 H2 TIP3A3023 20.874 43.422 23.379 1.00 0.00 H +ATOM 9070 O1 TIP3A3024 48.430 35.464 4.312 1.00 0.00 O +ATOM 9071 H1 TIP3A3024 47.985 36.148 4.810 1.00 0.00 H +ATOM 9072 H2 TIP3A3024 48.886 35.934 3.613 1.00 0.00 H +ATOM 9073 O1 TIP3A3025 7.510 17.738 23.302 1.00 0.00 O +ATOM 9074 H1 TIP3A3025 7.116 18.606 23.376 1.00 0.00 H +ATOM 9075 H2 TIP3A3025 6.963 17.177 23.854 1.00 0.00 H +ATOM 9076 O1 TIP3A3026 24.128 15.656 38.438 1.00 0.00 O +ATOM 9077 H1 TIP3A3026 24.592 15.047 37.865 1.00 0.00 H +ATOM 9078 H2 TIP3A3026 23.748 15.103 39.121 1.00 0.00 H +ATOM 9079 O1 TIP3A3027 53.725 55.174 4.843 1.00 0.00 O +ATOM 9080 H1 TIP3A3027 54.119 56.022 5.046 1.00 0.00 H +ATOM 9081 H2 TIP3A3027 53.038 55.374 4.207 1.00 0.00 H +ATOM 9082 O1 TIP3A3028 14.064 5.324 26.462 1.00 0.00 O +ATOM 9083 H1 TIP3A3028 13.442 6.045 26.557 1.00 0.00 H +ATOM 9084 H2 TIP3A3028 14.189 5.237 25.517 1.00 0.00 H +ATOM 9085 O1 TIP3A3029 48.122 20.373 25.936 1.00 0.00 O +ATOM 9086 H1 TIP3A3029 48.535 21.235 25.980 1.00 0.00 H +ATOM 9087 H2 TIP3A3029 48.444 19.994 25.118 1.00 0.00 H +ATOM 9088 O1 TIP3A3030 38.606 40.936 20.260 1.00 0.00 O +ATOM 9089 H1 TIP3A3030 38.423 41.711 19.730 1.00 0.00 H +ATOM 9090 H2 TIP3A3030 38.448 41.218 21.161 1.00 0.00 H +ATOM 9091 O1 TIP3A3031 25.997 57.166 25.003 1.00 0.00 O +ATOM 9092 H1 TIP3A3031 25.463 56.882 24.262 1.00 0.00 H +ATOM 9093 H2 TIP3A3031 26.374 58.000 24.722 1.00 0.00 H +ATOM 9094 O1 TIP3A3032 4.731 41.052 20.032 1.00 0.00 O +ATOM 9095 H1 TIP3A3032 5.320 40.399 20.408 1.00 0.00 H +ATOM 9096 H2 TIP3A3032 5.278 41.547 19.422 1.00 0.00 H +ATOM 9097 O1 TIP3A3033 47.361 10.199 51.697 1.00 0.00 O +ATOM 9098 H1 TIP3A3033 47.310 10.667 50.864 1.00 0.00 H +ATOM 9099 H2 TIP3A3033 47.227 10.877 52.361 1.00 0.00 H +ATOM 9100 O1 TIP3A3034 39.366 0.534 49.006 1.00 0.00 O +ATOM 9101 H1 TIP3A3034 39.062 1.436 49.097 1.00 0.00 H +ATOM 9102 H2 TIP3A3034 38.589 -0.000 49.176 1.00 0.00 H +ATOM 9103 O1 TIP3A3035 37.098 34.934 3.757 1.00 0.00 O +ATOM 9104 H1 TIP3A3035 37.875 35.421 4.029 1.00 0.00 H +ATOM 9105 H2 TIP3A3035 37.355 34.014 3.826 1.00 0.00 H +ATOM 9106 O1 TIP3A3036 12.439 25.014 47.136 1.00 0.00 O +ATOM 9107 H1 TIP3A3036 12.460 25.692 46.462 1.00 0.00 H +ATOM 9108 H2 TIP3A3036 12.798 25.440 47.916 1.00 0.00 H +ATOM 9109 O1 TIP3A3037 52.256 22.898 39.842 1.00 0.00 O +ATOM 9110 H1 TIP3A3037 51.750 23.019 40.644 1.00 0.00 H +ATOM 9111 H2 TIP3A3037 52.841 23.655 39.809 1.00 0.00 H +ATOM 9112 O1 TIP3A3038 50.709 29.419 55.716 1.00 0.00 O +ATOM 9113 H1 TIP3A3038 51.352 29.923 55.218 1.00 0.00 H +ATOM 9114 H2 TIP3A3038 50.073 30.069 56.015 1.00 0.00 H +ATOM 9115 O1 TIP3A3039 44.034 18.904 3.170 1.00 0.00 O +ATOM 9116 H1 TIP3A3039 44.838 18.849 3.686 1.00 0.00 H +ATOM 9117 H2 TIP3A3039 44.322 19.216 2.311 1.00 0.00 H +ATOM 9118 O1 TIP3A3040 8.839 19.323 20.782 1.00 0.00 O +ATOM 9119 H1 TIP3A3040 8.431 20.145 21.052 1.00 0.00 H +ATOM 9120 H2 TIP3A3040 8.853 18.789 21.577 1.00 0.00 H +ATOM 9121 O1 TIP3A3041 52.955 49.007 51.395 1.00 0.00 O +ATOM 9122 H1 TIP3A3041 52.076 49.359 51.529 1.00 0.00 H +ATOM 9123 H2 TIP3A3041 53.326 49.544 50.695 1.00 0.00 H +ATOM 9124 O1 TIP3A3042 48.949 39.568 5.855 1.00 0.00 O +ATOM 9125 H1 TIP3A3042 49.464 38.771 5.973 1.00 0.00 H +ATOM 9126 H2 TIP3A3042 48.226 39.304 5.285 1.00 0.00 H +ATOM 9127 O1 TIP3A3043 19.377 32.217 40.014 1.00 0.00 O +ATOM 9128 H1 TIP3A3043 18.568 32.728 39.998 1.00 0.00 H +ATOM 9129 H2 TIP3A3043 19.944 32.644 39.371 1.00 0.00 H +ATOM 9130 O1 TIP3A3044 6.584 40.770 29.047 1.00 0.00 O +ATOM 9131 H1 TIP3A3044 5.761 41.259 29.035 1.00 0.00 H +ATOM 9132 H2 TIP3A3044 6.441 40.076 29.691 1.00 0.00 H +ATOM 9133 O1 TIP3A3045 15.397 54.305 38.251 1.00 0.00 O +ATOM 9134 H1 TIP3A3045 15.143 55.225 38.197 1.00 0.00 H +ATOM 9135 H2 TIP3A3045 16.046 54.193 37.556 1.00 0.00 H +ATOM 9136 O1 TIP3A3046 10.761 36.780 7.299 1.00 0.00 O +ATOM 9137 H1 TIP3A3046 10.732 35.848 7.083 1.00 0.00 H +ATOM 9138 H2 TIP3A3046 10.151 37.188 6.684 1.00 0.00 H +ATOM 9139 O1 TIP3A3047 23.124 30.466 8.582 1.00 0.00 O +ATOM 9140 H1 TIP3A3047 23.883 30.975 8.865 1.00 0.00 H +ATOM 9141 H2 TIP3A3047 22.956 30.763 7.687 1.00 0.00 H +ATOM 9142 O1 TIP3A3048 28.182 33.779 9.286 1.00 0.00 O +ATOM 9143 H1 TIP3A3048 27.968 34.477 9.905 1.00 0.00 H +ATOM 9144 H2 TIP3A3048 28.839 33.250 9.739 1.00 0.00 H +ATOM 9145 O1 TIP3A3049 46.760 55.460 18.258 1.00 0.00 O +ATOM 9146 H1 TIP3A3049 47.172 56.284 18.516 1.00 0.00 H +ATOM 9147 H2 TIP3A3049 45.997 55.384 18.833 1.00 0.00 H +ATOM 9148 O1 TIP3A3050 8.991 53.375 56.692 1.00 0.00 O +ATOM 9149 H1 TIP3A3050 8.358 53.506 55.987 1.00 0.00 H +ATOM 9150 H2 TIP3A3050 9.530 52.640 56.397 1.00 0.00 H +ATOM 9151 O1 TIP3A3051 42.329 34.934 23.043 1.00 0.00 O +ATOM 9152 H1 TIP3A3051 42.990 35.375 22.511 1.00 0.00 H +ATOM 9153 H2 TIP3A3051 42.760 34.135 23.348 1.00 0.00 H +ATOM 9154 O1 TIP3A3052 27.758 21.898 28.323 1.00 0.00 O +ATOM 9155 H1 TIP3A3052 27.512 22.246 29.180 1.00 0.00 H +ATOM 9156 H2 TIP3A3052 26.982 21.424 28.025 1.00 0.00 H +ATOM 9157 O1 TIP3A3053 0.313 48.387 7.987 1.00 0.00 O +ATOM 9158 H1 TIP3A3053 0.711 48.210 8.838 1.00 0.00 H +ATOM 9159 H2 TIP3A3053 -0.000 47.534 7.685 1.00 0.00 H +ATOM 9160 O1 TIP3A3054 42.597 26.284 31.607 1.00 0.00 O +ATOM 9161 H1 TIP3A3054 41.944 25.967 32.229 1.00 0.00 H +ATOM 9162 H2 TIP3A3054 42.292 25.968 30.756 1.00 0.00 H +ATOM 9163 O1 TIP3A3055 20.632 5.184 18.361 1.00 0.00 O +ATOM 9164 H1 TIP3A3055 20.226 6.038 18.217 1.00 0.00 H +ATOM 9165 H2 TIP3A3055 21.299 5.346 19.030 1.00 0.00 H +ATOM 9166 O1 TIP3A3056 51.657 18.239 20.904 1.00 0.00 O +ATOM 9167 H1 TIP3A3056 50.854 18.759 20.913 1.00 0.00 H +ATOM 9168 H2 TIP3A3056 52.310 18.814 20.503 1.00 0.00 H +ATOM 9169 O1 TIP3A3057 24.099 26.908 55.961 1.00 0.00 O +ATOM 9170 H1 TIP3A3057 23.752 26.806 56.846 1.00 0.00 H +ATOM 9171 H2 TIP3A3057 24.899 27.422 56.074 1.00 0.00 H +ATOM 9172 O1 TIP3A3058 26.166 37.665 34.475 1.00 0.00 O +ATOM 9173 H1 TIP3A3058 27.019 37.978 34.174 1.00 0.00 H +ATOM 9174 H2 TIP3A3058 25.936 38.253 35.196 1.00 0.00 H +ATOM 9175 O1 TIP3A3059 53.395 30.374 27.930 1.00 0.00 O +ATOM 9176 H1 TIP3A3059 54.010 31.106 27.900 1.00 0.00 H +ATOM 9177 H2 TIP3A3059 52.673 30.689 28.476 1.00 0.00 H +ATOM 9178 O1 TIP3A3060 4.481 23.580 5.779 1.00 0.00 O +ATOM 9179 H1 TIP3A3060 4.916 24.413 5.601 1.00 0.00 H +ATOM 9180 H2 TIP3A3060 4.934 22.948 5.220 1.00 0.00 H +ATOM 9181 O1 TIP3A3061 51.774 25.924 12.624 1.00 0.00 O +ATOM 9182 H1 TIP3A3061 52.451 25.995 13.296 1.00 0.00 H +ATOM 9183 H2 TIP3A3061 52.190 26.254 11.827 1.00 0.00 H +ATOM 9184 O1 TIP3A3062 22.788 26.303 12.227 1.00 0.00 O +ATOM 9185 H1 TIP3A3062 22.396 27.175 12.191 1.00 0.00 H +ATOM 9186 H2 TIP3A3062 23.381 26.275 11.475 1.00 0.00 H +ATOM 9187 O1 TIP3A3063 8.160 33.959 11.625 1.00 0.00 O +ATOM 9188 H1 TIP3A3063 9.015 33.542 11.716 1.00 0.00 H +ATOM 9189 H2 TIP3A3063 8.357 34.854 11.348 1.00 0.00 H +ATOM 9190 O1 TIP3A3064 43.678 22.829 13.475 1.00 0.00 O +ATOM 9191 H1 TIP3A3064 44.481 23.340 13.568 1.00 0.00 H +ATOM 9192 H2 TIP3A3064 42.978 23.431 13.731 1.00 0.00 H +ATOM 9193 O1 TIP3A3065 18.813 13.350 50.018 1.00 0.00 O +ATOM 9194 H1 TIP3A3065 18.320 12.629 49.629 1.00 0.00 H +ATOM 9195 H2 TIP3A3065 18.805 13.167 50.958 1.00 0.00 H +ATOM 9196 O1 TIP3A3066 43.019 27.723 10.839 1.00 0.00 O +ATOM 9197 H1 TIP3A3066 43.972 27.790 10.794 1.00 0.00 H +ATOM 9198 H2 TIP3A3066 42.811 27.875 11.762 1.00 0.00 H +ATOM 9199 O1 TIP3A3067 11.854 15.478 22.576 1.00 0.00 O +ATOM 9200 H1 TIP3A3067 12.343 15.742 21.797 1.00 0.00 H +ATOM 9201 H2 TIP3A3067 12.241 14.639 22.829 1.00 0.00 H +ATOM 9202 O1 TIP3A3068 28.800 28.580 19.496 1.00 0.00 O +ATOM 9203 H1 TIP3A3068 28.699 29.531 19.486 1.00 0.00 H +ATOM 9204 H2 TIP3A3068 28.313 28.294 20.270 1.00 0.00 H +ATOM 9205 O1 TIP3A3069 5.367 33.243 43.559 1.00 0.00 O +ATOM 9206 H1 TIP3A3069 5.000 34.121 43.459 1.00 0.00 H +ATOM 9207 H2 TIP3A3069 6.116 33.361 44.145 1.00 0.00 H +ATOM 9208 O1 TIP3A3070 54.831 31.071 11.520 1.00 0.00 O +ATOM 9209 H1 TIP3A3070 55.246 31.930 11.598 1.00 0.00 H +ATOM 9210 H2 TIP3A3070 55.039 30.629 12.344 1.00 0.00 H +ATOM 9211 O1 TIP3A3071 4.635 38.501 49.676 1.00 0.00 O +ATOM 9212 H1 TIP3A3071 3.754 38.813 49.470 1.00 0.00 H +ATOM 9213 H2 TIP3A3071 4.526 37.563 49.833 1.00 0.00 H +ATOM 9214 O1 TIP3A3072 54.339 4.502 57.597 1.00 0.00 O +ATOM 9215 H1 TIP3A3072 54.507 5.336 57.160 1.00 0.00 H +ATOM 9216 H2 TIP3A3072 53.389 4.483 57.722 1.00 0.00 H +ATOM 9217 O1 TIP3A3073 14.421 52.778 5.451 1.00 0.00 O +ATOM 9218 H1 TIP3A3073 14.235 53.314 4.681 1.00 0.00 H +ATOM 9219 H2 TIP3A3073 13.694 52.955 6.049 1.00 0.00 H +ATOM 9220 O1 TIP3A3074 34.339 42.905 40.783 1.00 0.00 O +ATOM 9221 H1 TIP3A3074 34.572 43.482 40.057 1.00 0.00 H +ATOM 9222 H2 TIP3A3074 35.121 42.372 40.928 1.00 0.00 H +ATOM 9223 O1 TIP3A3075 34.879 23.723 1.554 1.00 0.00 O +ATOM 9224 H1 TIP3A3075 33.924 23.771 1.524 1.00 0.00 H +ATOM 9225 H2 TIP3A3075 35.173 24.402 0.945 1.00 0.00 H +ATOM 9226 O1 TIP3A3076 0.431 14.383 15.429 1.00 0.00 O +ATOM 9227 H1 TIP3A3076 0.000 15.237 15.430 1.00 0.00 H +ATOM 9228 H2 TIP3A3076 0.896 14.349 14.593 1.00 0.00 H +ATOM 9229 O1 TIP3A3077 1.115 49.657 37.209 1.00 0.00 O +ATOM 9230 H1 TIP3A3077 0.550 50.406 37.398 1.00 0.00 H +ATOM 9231 H2 TIP3A3077 1.981 50.040 37.065 1.00 0.00 H +ATOM 9232 O1 TIP3A3078 3.894 1.233 0.745 1.00 0.00 O +ATOM 9233 H1 TIP3A3078 4.480 0.499 0.562 1.00 0.00 H +ATOM 9234 H2 TIP3A3078 3.055 0.822 0.958 1.00 0.00 H +ATOM 9235 O1 TIP3A3079 11.941 12.742 43.978 1.00 0.00 O +ATOM 9236 H1 TIP3A3079 11.624 12.136 44.647 1.00 0.00 H +ATOM 9237 H2 TIP3A3079 12.384 12.183 43.339 1.00 0.00 H +ATOM 9238 O1 TIP3A3080 45.909 44.765 36.307 1.00 0.00 O +ATOM 9239 H1 TIP3A3080 46.825 44.978 36.132 1.00 0.00 H +ATOM 9240 H2 TIP3A3080 45.781 43.905 35.905 1.00 0.00 H +ATOM 9241 O1 TIP3A3081 32.249 17.352 26.533 1.00 0.00 O +ATOM 9242 H1 TIP3A3081 32.932 17.727 25.977 1.00 0.00 H +ATOM 9243 H2 TIP3A3081 32.371 17.778 27.382 1.00 0.00 H +ATOM 9244 O1 TIP3A3082 20.445 17.325 5.064 1.00 0.00 O +ATOM 9245 H1 TIP3A3082 21.383 17.137 5.073 1.00 0.00 H +ATOM 9246 H2 TIP3A3082 20.062 16.610 4.555 1.00 0.00 H +ATOM 9247 O1 TIP3A3083 11.377 19.885 4.107 1.00 0.00 O +ATOM 9248 H1 TIP3A3083 11.979 19.188 4.369 1.00 0.00 H +ATOM 9249 H2 TIP3A3083 10.984 19.569 3.293 1.00 0.00 H +ATOM 9250 O1 TIP3A3084 51.640 34.091 56.011 1.00 0.00 O +ATOM 9251 H1 TIP3A3084 51.866 34.381 56.894 1.00 0.00 H +ATOM 9252 H2 TIP3A3084 50.872 34.613 55.776 1.00 0.00 H +ATOM 9253 O1 TIP3A3085 31.258 49.573 21.856 1.00 0.00 O +ATOM 9254 H1 TIP3A3085 30.320 49.538 21.667 1.00 0.00 H +ATOM 9255 H2 TIP3A3085 31.677 49.274 21.049 1.00 0.00 H +ATOM 9256 O1 TIP3A3086 21.176 46.944 20.756 1.00 0.00 O +ATOM 9257 H1 TIP3A3086 20.927 47.849 20.572 1.00 0.00 H +ATOM 9258 H2 TIP3A3086 21.989 47.017 21.258 1.00 0.00 H +ATOM 9259 O1 TIP3A3087 13.185 39.547 8.232 1.00 0.00 O +ATOM 9260 H1 TIP3A3087 13.796 40.175 7.848 1.00 0.00 H +ATOM 9261 H2 TIP3A3087 12.568 40.086 8.728 1.00 0.00 H +ATOM 9262 O1 TIP3A3088 19.391 5.879 24.309 1.00 0.00 O +ATOM 9263 H1 TIP3A3088 18.453 6.065 24.276 1.00 0.00 H +ATOM 9264 H2 TIP3A3088 19.807 6.690 24.016 1.00 0.00 H +ATOM 9265 O1 TIP3A3089 41.209 56.652 43.093 1.00 0.00 O +ATOM 9266 H1 TIP3A3089 41.162 57.409 43.676 1.00 0.00 H +ATOM 9267 H2 TIP3A3089 42.130 56.605 42.835 1.00 0.00 H +ATOM 9268 O1 TIP3A3090 55.636 39.321 56.092 1.00 0.00 O +ATOM 9269 H1 TIP3A3090 55.194 39.399 56.937 1.00 0.00 H +ATOM 9270 H2 TIP3A3090 55.695 40.220 55.768 1.00 0.00 H +ATOM 9271 O1 TIP3A3091 7.581 43.129 42.680 1.00 0.00 O +ATOM 9272 H1 TIP3A3091 7.729 43.522 43.539 1.00 0.00 H +ATOM 9273 H2 TIP3A3091 7.018 43.755 42.223 1.00 0.00 H +ATOM 9274 O1 TIP3A3092 54.471 23.960 53.597 1.00 0.00 O +ATOM 9275 H1 TIP3A3092 54.019 23.169 53.889 1.00 0.00 H +ATOM 9276 H2 TIP3A3092 54.064 24.173 52.757 1.00 0.00 H +ATOM 9277 O1 TIP3A3093 4.218 3.655 39.987 1.00 0.00 O +ATOM 9278 H1 TIP3A3093 3.476 3.076 40.157 1.00 0.00 H +ATOM 9279 H2 TIP3A3093 4.895 3.364 40.598 1.00 0.00 H +ATOM 9280 O1 TIP3A3094 35.183 40.217 55.365 1.00 0.00 O +ATOM 9281 H1 TIP3A3094 34.441 39.617 55.309 1.00 0.00 H +ATOM 9282 H2 TIP3A3094 34.796 41.053 55.630 1.00 0.00 H +ATOM 9283 O1 TIP3A3095 39.013 39.474 10.228 1.00 0.00 O +ATOM 9284 H1 TIP3A3095 38.135 39.443 10.606 1.00 0.00 H +ATOM 9285 H2 TIP3A3095 38.868 39.460 9.281 1.00 0.00 H +ATOM 9286 O1 TIP3A3096 52.131 7.708 53.166 1.00 0.00 O +ATOM 9287 H1 TIP3A3096 52.468 7.524 52.289 1.00 0.00 H +ATOM 9288 H2 TIP3A3096 52.451 6.982 53.703 1.00 0.00 H +ATOM 9289 O1 TIP3A3097 53.673 44.518 10.089 1.00 0.00 O +ATOM 9290 H1 TIP3A3097 54.570 44.717 10.355 1.00 0.00 H +ATOM 9291 H2 TIP3A3097 53.768 43.881 9.381 1.00 0.00 H +ATOM 9292 O1 TIP3A3098 10.566 22.720 22.138 1.00 0.00 O +ATOM 9293 H1 TIP3A3098 9.940 22.647 21.419 1.00 0.00 H +ATOM 9294 H2 TIP3A3098 10.032 22.953 22.899 1.00 0.00 H +ATOM 9295 O1 TIP3A3099 38.312 11.828 32.415 1.00 0.00 O +ATOM 9296 H1 TIP3A3099 39.043 11.215 32.348 1.00 0.00 H +ATOM 9297 H2 TIP3A3099 37.718 11.426 33.049 1.00 0.00 H +ATOM 9298 O1 TIP3A3100 27.157 37.181 11.562 1.00 0.00 O +ATOM 9299 H1 TIP3A3100 27.871 37.450 12.138 1.00 0.00 H +ATOM 9300 H2 TIP3A3100 27.552 36.535 10.976 1.00 0.00 H +ATOM 9301 O1 TIP3A3101 31.254 0.725 50.727 1.00 0.00 O +ATOM 9302 H1 TIP3A3101 30.347 1.028 50.688 1.00 0.00 H +ATOM 9303 H2 TIP3A3101 31.307 0.040 50.060 1.00 0.00 H +ATOM 9304 O1 TIP3A3102 20.055 53.233 51.870 1.00 0.00 O +ATOM 9305 H1 TIP3A3102 20.857 52.800 52.158 1.00 0.00 H +ATOM 9306 H2 TIP3A3102 19.435 53.092 52.585 1.00 0.00 H +ATOM 9307 O1 TIP3A3103 1.711 13.240 47.904 1.00 0.00 O +ATOM 9308 H1 TIP3A3103 1.618 12.404 47.449 1.00 0.00 H +ATOM 9309 H2 TIP3A3103 2.045 13.841 47.237 1.00 0.00 H +ATOM 9310 O1 TIP3A3104 20.235 50.786 33.718 1.00 0.00 O +ATOM 9311 H1 TIP3A3104 19.934 50.100 34.312 1.00 0.00 H +ATOM 9312 H2 TIP3A3104 21.186 50.672 33.683 1.00 0.00 H +ATOM 9313 O1 TIP3A3105 41.413 41.296 25.044 1.00 0.00 O +ATOM 9314 H1 TIP3A3105 41.248 40.932 24.174 1.00 0.00 H +ATOM 9315 H2 TIP3A3105 40.550 41.567 25.359 1.00 0.00 H +ATOM 9316 O1 TIP3A3106 23.887 44.780 47.253 1.00 0.00 O +ATOM 9317 H1 TIP3A3106 23.617 43.916 47.560 1.00 0.00 H +ATOM 9318 H2 TIP3A3106 24.844 44.748 47.254 1.00 0.00 H +ATOM 9319 O1 TIP3A3107 46.096 43.714 19.546 1.00 0.00 O +ATOM 9320 H1 TIP3A3107 45.368 44.194 19.941 1.00 0.00 H +ATOM 9321 H2 TIP3A3107 45.786 42.809 19.494 1.00 0.00 H +ATOM 9322 O1 TIP3A3108 30.229 50.337 48.868 1.00 0.00 O +ATOM 9323 H1 TIP3A3108 30.746 50.163 48.082 1.00 0.00 H +ATOM 9324 H2 TIP3A3108 29.352 50.018 48.654 1.00 0.00 H +ATOM 9325 O1 TIP3A3109 55.763 37.087 6.369 1.00 0.00 O +ATOM 9326 H1 TIP3A3109 55.624 36.516 5.614 1.00 0.00 H +ATOM 9327 H2 TIP3A3109 56.431 37.709 6.079 1.00 0.00 H +ATOM 9328 O1 TIP3A3110 3.450 31.656 33.875 1.00 0.00 O +ATOM 9329 H1 TIP3A3110 3.568 32.409 33.297 1.00 0.00 H +ATOM 9330 H2 TIP3A3110 4.076 31.006 33.553 1.00 0.00 H +ATOM 9331 O1 TIP3A3111 15.044 46.503 35.685 1.00 0.00 O +ATOM 9332 H1 TIP3A3111 14.106 46.537 35.499 1.00 0.00 H +ATOM 9333 H2 TIP3A3111 15.097 46.373 36.632 1.00 0.00 H +ATOM 9334 O1 TIP3A3112 56.357 24.735 57.731 1.00 0.00 O +ATOM 9335 H1 TIP3A3112 55.719 24.375 57.116 1.00 0.00 H +ATOM 9336 H2 TIP3A3112 56.984 25.204 57.179 1.00 0.00 H +ATOM 9337 O1 TIP3A3113 49.413 46.753 11.579 1.00 0.00 O +ATOM 9338 H1 TIP3A3113 48.636 46.913 11.044 1.00 0.00 H +ATOM 9339 H2 TIP3A3113 50.120 47.205 11.117 1.00 0.00 H +ATOM 9340 O1 TIP3A3114 54.195 57.193 47.767 1.00 0.00 O +ATOM 9341 H1 TIP3A3114 54.191 58.000 48.280 1.00 0.00 H +ATOM 9342 H2 TIP3A3114 54.632 56.553 48.329 1.00 0.00 H +ATOM 9343 O1 TIP3A3115 26.693 52.507 6.966 1.00 0.00 O +ATOM 9344 H1 TIP3A3115 26.148 53.286 7.070 1.00 0.00 H +ATOM 9345 H2 TIP3A3115 26.745 52.131 7.846 1.00 0.00 H +ATOM 9346 O1 TIP3A3116 45.559 47.905 25.399 1.00 0.00 O +ATOM 9347 H1 TIP3A3116 44.676 47.590 25.589 1.00 0.00 H +ATOM 9348 H2 TIP3A3116 46.134 47.192 25.679 1.00 0.00 H +ATOM 9349 O1 TIP3A3117 34.051 6.933 8.999 1.00 0.00 O +ATOM 9350 H1 TIP3A3117 34.891 7.297 9.273 1.00 0.00 H +ATOM 9351 H2 TIP3A3117 33.656 6.604 9.807 1.00 0.00 H +ATOM 9352 O1 TIP3A3118 9.184 6.440 32.648 1.00 0.00 O +ATOM 9353 H1 TIP3A3118 8.751 5.736 33.129 1.00 0.00 H +ATOM 9354 H2 TIP3A3118 9.709 5.990 31.985 1.00 0.00 H +ATOM 9355 O1 TIP3A3119 45.375 1.622 31.553 1.00 0.00 O +ATOM 9356 H1 TIP3A3119 45.478 0.719 31.254 1.00 0.00 H +ATOM 9357 H2 TIP3A3119 44.477 1.665 31.883 1.00 0.00 H +ATOM 9358 O1 TIP3A3120 35.912 51.444 39.526 1.00 0.00 O +ATOM 9359 H1 TIP3A3120 35.953 51.386 38.572 1.00 0.00 H +ATOM 9360 H2 TIP3A3120 36.191 52.338 39.725 1.00 0.00 H +ATOM 9361 O1 TIP3A3121 45.324 41.679 34.469 1.00 0.00 O +ATOM 9362 H1 TIP3A3121 44.619 41.529 35.097 1.00 0.00 H +ATOM 9363 H2 TIP3A3121 46.020 41.080 34.741 1.00 0.00 H +ATOM 9364 O1 TIP3A3122 14.309 52.772 10.259 1.00 0.00 O +ATOM 9365 H1 TIP3A3122 13.524 53.311 10.352 1.00 0.00 H +ATOM 9366 H2 TIP3A3122 15.036 53.386 10.363 1.00 0.00 H +ATOM 9367 O1 TIP3A3123 26.389 8.292 57.467 1.00 0.00 O +ATOM 9368 H1 TIP3A3123 25.495 7.953 57.509 1.00 0.00 H +ATOM 9369 H2 TIP3A3123 26.615 8.258 56.537 1.00 0.00 H +ATOM 9370 O1 TIP3A3124 57.182 43.626 20.262 1.00 0.00 O +ATOM 9371 H1 TIP3A3124 56.831 44.302 20.841 1.00 0.00 H +ATOM 9372 H2 TIP3A3124 58.010 43.988 19.944 1.00 0.00 H +ATOM 9373 O1 TIP3A3125 16.370 14.075 51.066 1.00 0.00 O +ATOM 9374 H1 TIP3A3125 16.504 14.557 50.250 1.00 0.00 H +ATOM 9375 H2 TIP3A3125 15.535 14.402 51.403 1.00 0.00 H +ATOM 9376 O1 TIP3A3126 42.112 57.600 46.539 1.00 0.00 O +ATOM 9377 H1 TIP3A3126 42.827 57.618 45.903 1.00 0.00 H +ATOM 9378 H2 TIP3A3126 41.626 56.801 46.331 1.00 0.00 H +ATOM 9379 O1 TIP3A3127 6.648 52.005 56.841 1.00 0.00 O +ATOM 9380 H1 TIP3A3127 6.927 52.254 57.722 1.00 0.00 H +ATOM 9381 H2 TIP3A3127 7.202 51.256 56.617 1.00 0.00 H +ATOM 9382 O1 TIP3A3128 19.688 37.869 26.322 1.00 0.00 O +ATOM 9383 H1 TIP3A3128 18.732 37.898 26.301 1.00 0.00 H +ATOM 9384 H2 TIP3A3128 19.895 37.210 26.985 1.00 0.00 H +ATOM 9385 O1 TIP3A3129 20.701 33.734 35.357 1.00 0.00 O +ATOM 9386 H1 TIP3A3129 20.866 34.659 35.174 1.00 0.00 H +ATOM 9387 H2 TIP3A3129 20.992 33.277 34.568 1.00 0.00 H +ATOM 9388 O1 TIP3A3130 37.926 12.579 1.294 1.00 0.00 O +ATOM 9389 H1 TIP3A3130 37.645 13.139 0.571 1.00 0.00 H +ATOM 9390 H2 TIP3A3130 37.623 13.033 2.081 1.00 0.00 H +ATOM 9391 O1 TIP3A3131 30.675 34.934 10.401 1.00 0.00 O +ATOM 9392 H1 TIP3A3131 30.056 35.590 10.082 1.00 0.00 H +ATOM 9393 H2 TIP3A3131 30.899 34.419 9.625 1.00 0.00 H +ATOM 9394 O1 TIP3A3132 36.428 1.255 51.361 1.00 0.00 O +ATOM 9395 H1 TIP3A3132 36.121 0.355 51.262 1.00 0.00 H +ATOM 9396 H2 TIP3A3132 37.365 1.212 51.169 1.00 0.00 H +ATOM 9397 O1 TIP3A3133 24.281 27.259 21.357 1.00 0.00 O +ATOM 9398 H1 TIP3A3133 24.739 26.421 21.293 1.00 0.00 H +ATOM 9399 H2 TIP3A3133 24.702 27.706 22.092 1.00 0.00 H +ATOM 9400 O1 TIP3A3134 43.498 13.594 53.497 1.00 0.00 O +ATOM 9401 H1 TIP3A3134 44.437 13.504 53.659 1.00 0.00 H +ATOM 9402 H2 TIP3A3134 43.360 13.177 52.646 1.00 0.00 H +ATOM 9403 O1 TIP3A3135 25.171 6.305 12.753 1.00 0.00 O +ATOM 9404 H1 TIP3A3135 25.830 5.724 12.376 1.00 0.00 H +ATOM 9405 H2 TIP3A3135 24.674 5.748 13.352 1.00 0.00 H +ATOM 9406 O1 TIP3A3136 55.260 39.116 20.017 1.00 0.00 O +ATOM 9407 H1 TIP3A3136 54.743 38.322 19.887 1.00 0.00 H +ATOM 9408 H2 TIP3A3136 55.872 38.892 20.718 1.00 0.00 H +ATOM 9409 O1 TIP3A3137 20.142 43.442 33.050 1.00 0.00 O +ATOM 9410 H1 TIP3A3137 20.984 43.055 32.814 1.00 0.00 H +ATOM 9411 H2 TIP3A3137 20.125 43.416 34.007 1.00 0.00 H +ATOM 9412 O1 TIP3A3138 45.668 9.522 10.688 1.00 0.00 O +ATOM 9413 H1 TIP3A3138 45.565 10.380 10.280 1.00 0.00 H +ATOM 9414 H2 TIP3A3138 45.243 8.914 10.082 1.00 0.00 H +ATOM 9415 O1 TIP3A3139 47.972 36.987 40.065 1.00 0.00 O +ATOM 9416 H1 TIP3A3139 47.736 37.902 40.208 1.00 0.00 H +ATOM 9417 H2 TIP3A3139 48.806 37.025 39.595 1.00 0.00 H +ATOM 9418 O1 TIP3A3140 31.049 42.750 43.136 1.00 0.00 O +ATOM 9419 H1 TIP3A3140 31.977 42.536 43.228 1.00 0.00 H +ATOM 9420 H2 TIP3A3140 30.859 43.319 43.883 1.00 0.00 H +ATOM 9421 O1 TIP3A3141 34.586 45.649 35.332 1.00 0.00 O +ATOM 9422 H1 TIP3A3141 35.264 46.295 35.139 1.00 0.00 H +ATOM 9423 H2 TIP3A3141 33.881 45.850 34.716 1.00 0.00 H +ATOM 9424 O1 TIP3A3142 50.455 53.259 2.825 1.00 0.00 O +ATOM 9425 H1 TIP3A3142 49.513 53.427 2.821 1.00 0.00 H +ATOM 9426 H2 TIP3A3142 50.573 52.565 3.473 1.00 0.00 H +ATOM 9427 O1 TIP3A3143 33.573 45.173 9.860 1.00 0.00 O +ATOM 9428 H1 TIP3A3143 32.752 44.711 10.022 1.00 0.00 H +ATOM 9429 H2 TIP3A3143 33.382 45.752 9.121 1.00 0.00 H +ATOM 9430 O1 TIP3A3144 55.833 5.770 32.600 1.00 0.00 O +ATOM 9431 H1 TIP3A3144 56.083 6.565 33.069 1.00 0.00 H +ATOM 9432 H2 TIP3A3144 55.511 6.082 31.753 1.00 0.00 H +ATOM 9433 O1 TIP3A3145 23.482 7.303 45.157 1.00 0.00 O +ATOM 9434 H1 TIP3A3145 24.123 6.686 44.806 1.00 0.00 H +ATOM 9435 H2 TIP3A3145 22.716 7.202 44.592 1.00 0.00 H +ATOM 9436 O1 TIP3A3146 33.966 52.156 5.144 1.00 0.00 O +ATOM 9437 H1 TIP3A3146 34.814 51.712 5.162 1.00 0.00 H +ATOM 9438 H2 TIP3A3146 33.349 51.481 4.859 1.00 0.00 H +ATOM 9439 O1 TIP3A3147 57.151 17.264 54.553 1.00 0.00 O +ATOM 9440 H1 TIP3A3147 57.428 16.726 55.294 1.00 0.00 H +ATOM 9441 H2 TIP3A3147 56.388 16.808 54.197 1.00 0.00 H +ATOM 9442 O1 TIP3A3148 2.723 35.172 3.702 1.00 0.00 O +ATOM 9443 H1 TIP3A3148 3.064 36.065 3.668 1.00 0.00 H +ATOM 9444 H2 TIP3A3148 2.076 35.188 4.409 1.00 0.00 H +ATOM 9445 O1 TIP3A3149 1.387 33.299 16.615 1.00 0.00 O +ATOM 9446 H1 TIP3A3149 0.641 33.780 16.257 1.00 0.00 H +ATOM 9447 H2 TIP3A3149 1.048 32.419 16.782 1.00 0.00 H +ATOM 9448 O1 TIP3A3150 47.005 43.364 21.825 1.00 0.00 O +ATOM 9449 H1 TIP3A3150 46.556 43.237 22.660 1.00 0.00 H +ATOM 9450 H2 TIP3A3150 47.936 43.328 22.046 1.00 0.00 H +ATOM 9451 O1 TIP3A3151 50.646 43.066 33.773 1.00 0.00 O +ATOM 9452 H1 TIP3A3151 50.681 42.615 34.616 1.00 0.00 H +ATOM 9453 H2 TIP3A3151 49.915 43.678 33.857 1.00 0.00 H +ATOM 9454 O1 TIP3A3152 13.522 56.141 58.025 1.00 0.00 O +ATOM 9455 H1 TIP3A3152 12.934 55.397 57.902 1.00 0.00 H +ATOM 9456 H2 TIP3A3152 13.030 56.893 57.692 1.00 0.00 H +ATOM 9457 O1 TIP3A3153 13.692 15.140 44.937 1.00 0.00 O +ATOM 9458 H1 TIP3A3153 13.642 14.476 44.250 1.00 0.00 H +ATOM 9459 H2 TIP3A3153 14.059 15.910 44.501 1.00 0.00 H +ATOM 9460 O1 TIP3A3154 41.783 49.586 53.988 1.00 0.00 O +ATOM 9461 H1 TIP3A3154 42.519 49.219 53.500 1.00 0.00 H +ATOM 9462 H2 TIP3A3154 41.041 49.528 53.384 1.00 0.00 H +ATOM 9463 O1 TIP3A3155 7.112 7.291 46.004 1.00 0.00 O +ATOM 9464 H1 TIP3A3155 7.226 6.710 46.756 1.00 0.00 H +ATOM 9465 H2 TIP3A3155 6.349 6.941 45.543 1.00 0.00 H +ATOM 9466 O1 TIP3A3156 15.183 15.149 14.547 1.00 0.00 O +ATOM 9467 H1 TIP3A3156 14.971 14.256 14.818 1.00 0.00 H +ATOM 9468 H2 TIP3A3156 14.627 15.307 13.784 1.00 0.00 H +ATOM 9469 O1 TIP3A3157 47.203 38.898 8.724 1.00 0.00 O +ATOM 9470 H1 TIP3A3157 47.394 37.988 8.502 1.00 0.00 H +ATOM 9471 H2 TIP3A3157 46.860 39.276 7.914 1.00 0.00 H +ATOM 9472 O1 TIP3A3158 13.554 12.264 3.479 1.00 0.00 O +ATOM 9473 H1 TIP3A3158 13.263 11.353 3.486 1.00 0.00 H +ATOM 9474 H2 TIP3A3158 14.283 12.289 4.100 1.00 0.00 H +ATOM 9475 O1 TIP3A3159 10.623 28.077 24.631 1.00 0.00 O +ATOM 9476 H1 TIP3A3159 11.305 27.866 25.267 1.00 0.00 H +ATOM 9477 H2 TIP3A3159 10.351 27.229 24.280 1.00 0.00 H +ATOM 9478 O1 TIP3A3160 52.699 51.206 26.154 1.00 0.00 O +ATOM 9479 H1 TIP3A3160 53.253 51.258 26.932 1.00 0.00 H +ATOM 9480 H2 TIP3A3160 52.730 50.283 25.899 1.00 0.00 H +ATOM 9481 O1 TIP3A3161 31.728 45.913 12.558 1.00 0.00 O +ATOM 9482 H1 TIP3A3161 31.481 44.990 12.609 1.00 0.00 H +ATOM 9483 H2 TIP3A3161 32.325 45.960 11.810 1.00 0.00 H +ATOM 9484 O1 TIP3A3162 49.683 51.206 25.563 1.00 0.00 O +ATOM 9485 H1 TIP3A3162 49.208 52.036 25.574 1.00 0.00 H +ATOM 9486 H2 TIP3A3162 49.174 50.630 26.135 1.00 0.00 H +ATOM 9487 O1 TIP3A3163 22.373 47.132 52.199 1.00 0.00 O +ATOM 9488 H1 TIP3A3163 21.925 46.433 51.723 1.00 0.00 H +ATOM 9489 H2 TIP3A3163 21.920 47.177 53.042 1.00 0.00 H +ATOM 9490 O1 TIP3A3164 33.340 3.828 34.464 1.00 0.00 O +ATOM 9491 H1 TIP3A3164 34.020 3.384 33.958 1.00 0.00 H +ATOM 9492 H2 TIP3A3164 33.641 3.771 35.372 1.00 0.00 H +ATOM 9493 O1 TIP3A3165 54.116 22.927 28.960 1.00 0.00 O +ATOM 9494 H1 TIP3A3165 54.946 23.286 29.272 1.00 0.00 H +ATOM 9495 H2 TIP3A3165 53.447 23.451 29.401 1.00 0.00 H +ATOM 9496 O1 TIP3A3166 24.139 13.840 47.325 1.00 0.00 O +ATOM 9497 H1 TIP3A3166 24.288 14.780 47.424 1.00 0.00 H +ATOM 9498 H2 TIP3A3166 23.304 13.777 46.860 1.00 0.00 H +ATOM 9499 O1 TIP3A3167 25.786 46.436 35.775 1.00 0.00 O +ATOM 9500 H1 TIP3A3167 25.200 47.192 35.772 1.00 0.00 H +ATOM 9501 H2 TIP3A3167 25.236 45.705 35.492 1.00 0.00 H +ATOM 9502 O1 TIP3A3168 32.695 38.679 19.313 1.00 0.00 O +ATOM 9503 H1 TIP3A3168 33.595 38.884 19.064 1.00 0.00 H +ATOM 9504 H2 TIP3A3168 32.734 38.539 20.260 1.00 0.00 H +ATOM 9505 O1 TIP3A3169 44.288 48.327 4.734 1.00 0.00 O +ATOM 9506 H1 TIP3A3169 43.372 48.601 4.777 1.00 0.00 H +ATOM 9507 H2 TIP3A3169 44.342 47.574 5.322 1.00 0.00 H +ATOM 9508 O1 TIP3A3170 0.936 50.166 13.680 1.00 0.00 O +ATOM 9509 H1 TIP3A3170 -0.000 49.972 13.690 1.00 0.00 H +ATOM 9510 H2 TIP3A3170 1.313 49.567 14.325 1.00 0.00 H +ATOM 9511 O1 TIP3A3171 20.524 5.334 9.863 1.00 0.00 O +ATOM 9512 H1 TIP3A3171 21.354 4.861 9.913 1.00 0.00 H +ATOM 9513 H2 TIP3A3171 20.590 6.008 10.540 1.00 0.00 H +ATOM 9514 O1 TIP3A3172 43.627 3.731 18.652 1.00 0.00 O +ATOM 9515 H1 TIP3A3172 43.849 2.812 18.799 1.00 0.00 H +ATOM 9516 H2 TIP3A3172 43.041 3.718 17.895 1.00 0.00 H +ATOM 9517 O1 TIP3A3173 58.000 17.680 44.178 1.00 0.00 O +ATOM 9518 H1 TIP3A3173 57.253 18.277 44.207 1.00 0.00 H +ATOM 9519 H2 TIP3A3173 57.959 17.203 45.008 1.00 0.00 H +ATOM 9520 O1 TIP3A3174 56.248 30.199 7.949 1.00 0.00 O +ATOM 9521 H1 TIP3A3174 56.339 29.413 7.411 1.00 0.00 H +ATOM 9522 H2 TIP3A3174 56.715 29.991 8.759 1.00 0.00 H +ATOM 9523 O1 TIP3A3175 17.069 57.224 29.507 1.00 0.00 O +ATOM 9524 H1 TIP3A3175 16.160 57.397 29.747 1.00 0.00 H +ATOM 9525 H2 TIP3A3175 17.581 57.813 30.062 1.00 0.00 H +ATOM 9526 O1 TIP3A3176 25.880 2.068 36.992 1.00 0.00 O +ATOM 9527 H1 TIP3A3176 26.834 2.019 36.937 1.00 0.00 H +ATOM 9528 H2 TIP3A3176 25.712 2.695 37.696 1.00 0.00 H +ATOM 9529 O1 TIP3A3177 6.020 41.574 47.952 1.00 0.00 O +ATOM 9530 H1 TIP3A3177 6.135 40.663 48.220 1.00 0.00 H +ATOM 9531 H2 TIP3A3177 6.334 42.085 48.697 1.00 0.00 H +ATOM 9532 O1 TIP3A3178 38.127 15.151 50.480 1.00 0.00 O +ATOM 9533 H1 TIP3A3178 38.902 14.837 50.014 1.00 0.00 H +ATOM 9534 H2 TIP3A3178 38.393 15.175 51.399 1.00 0.00 H +ATOM 9535 O1 TIP3A3179 10.359 27.140 36.364 1.00 0.00 O +ATOM 9536 H1 TIP3A3179 11.045 26.476 36.422 1.00 0.00 H +ATOM 9537 H2 TIP3A3179 10.007 27.046 35.478 1.00 0.00 H +ATOM 9538 O1 TIP3A3180 44.307 38.390 12.491 1.00 0.00 O +ATOM 9539 H1 TIP3A3180 43.560 38.539 11.912 1.00 0.00 H +ATOM 9540 H2 TIP3A3180 43.917 38.249 13.354 1.00 0.00 H +ATOM 9541 O1 TIP3A3181 26.239 54.313 56.427 1.00 0.00 O +ATOM 9542 H1 TIP3A3181 26.681 54.613 57.221 1.00 0.00 H +ATOM 9543 H2 TIP3A3181 26.803 53.617 56.087 1.00 0.00 H +ATOM 9544 O1 TIP3A3182 32.403 22.815 38.487 1.00 0.00 O +ATOM 9545 H1 TIP3A3182 32.944 22.124 38.105 1.00 0.00 H +ATOM 9546 H2 TIP3A3182 31.617 22.835 37.940 1.00 0.00 H +ATOM 9547 O1 TIP3A3183 46.163 8.287 42.081 1.00 0.00 O +ATOM 9548 H1 TIP3A3183 46.730 9.042 41.928 1.00 0.00 H +ATOM 9549 H2 TIP3A3183 46.456 7.932 42.921 1.00 0.00 H +ATOM 9550 O1 TIP3A3184 12.379 49.550 28.523 1.00 0.00 O +ATOM 9551 H1 TIP3A3184 12.091 49.039 27.767 1.00 0.00 H +ATOM 9552 H2 TIP3A3184 12.149 50.454 28.304 1.00 0.00 H +ATOM 9553 O1 TIP3A3185 32.224 8.484 8.744 1.00 0.00 O +ATOM 9554 H1 TIP3A3185 31.455 9.029 8.583 1.00 0.00 H +ATOM 9555 H2 TIP3A3185 32.617 8.361 7.879 1.00 0.00 H +ATOM 9556 O1 TIP3A3186 53.014 29.764 33.560 1.00 0.00 O +ATOM 9557 H1 TIP3A3186 53.708 29.346 33.052 1.00 0.00 H +ATOM 9558 H2 TIP3A3186 52.566 30.332 32.933 1.00 0.00 H +ATOM 9559 O1 TIP3A3187 55.320 26.406 4.711 1.00 0.00 O +ATOM 9560 H1 TIP3A3187 56.196 26.058 4.547 1.00 0.00 H +ATOM 9561 H2 TIP3A3187 54.943 26.527 3.839 1.00 0.00 H +ATOM 9562 O1 TIP3A3188 1.756 27.734 26.213 1.00 0.00 O +ATOM 9563 H1 TIP3A3188 1.624 26.894 25.775 1.00 0.00 H +ATOM 9564 H2 TIP3A3188 0.918 28.189 26.117 1.00 0.00 H +ATOM 9565 O1 TIP3A3189 5.312 50.717 44.808 1.00 0.00 O +ATOM 9566 H1 TIP3A3189 5.690 51.556 44.546 1.00 0.00 H +ATOM 9567 H2 TIP3A3189 4.898 50.894 45.653 1.00 0.00 H +ATOM 9568 O1 TIP3A3190 46.912 31.168 29.914 1.00 0.00 O +ATOM 9569 H1 TIP3A3190 46.971 30.580 29.162 1.00 0.00 H +ATOM 9570 H2 TIP3A3190 46.354 31.886 29.616 1.00 0.00 H +ATOM 9571 O1 TIP3A3191 35.593 2.383 54.217 1.00 0.00 O +ATOM 9572 H1 TIP3A3191 35.990 1.575 54.539 1.00 0.00 H +ATOM 9573 H2 TIP3A3191 35.115 2.118 53.430 1.00 0.00 H +ATOM 9574 O1 TIP3A3192 16.607 12.998 14.049 1.00 0.00 O +ATOM 9575 H1 TIP3A3192 16.830 12.127 13.721 1.00 0.00 H +ATOM 9576 H2 TIP3A3192 17.390 13.285 14.519 1.00 0.00 H +ATOM 9577 O1 TIP3A3193 13.052 3.207 52.706 1.00 0.00 O +ATOM 9578 H1 TIP3A3193 12.154 3.436 52.471 1.00 0.00 H +ATOM 9579 H2 TIP3A3193 13.241 3.737 53.481 1.00 0.00 H +ATOM 9580 O1 TIP3A3194 36.506 6.488 20.782 1.00 0.00 O +ATOM 9581 H1 TIP3A3194 36.519 5.661 21.262 1.00 0.00 H +ATOM 9582 H2 TIP3A3194 36.830 7.136 21.409 1.00 0.00 H +ATOM 9583 O1 TIP3A3195 38.975 32.017 42.075 1.00 0.00 O +ATOM 9584 H1 TIP3A3195 38.338 32.723 42.181 1.00 0.00 H +ATOM 9585 H2 TIP3A3195 39.619 32.169 42.768 1.00 0.00 H +ATOM 9586 O1 TIP3A3196 34.136 40.376 9.030 1.00 0.00 O +ATOM 9587 H1 TIP3A3196 33.264 40.344 9.422 1.00 0.00 H +ATOM 9588 H2 TIP3A3196 34.128 41.167 8.490 1.00 0.00 H +ATOM 9589 O1 TIP3A3197 31.013 38.859 4.619 1.00 0.00 O +ATOM 9590 H1 TIP3A3197 30.164 38.544 4.311 1.00 0.00 H +ATOM 9591 H2 TIP3A3197 31.607 38.120 4.482 1.00 0.00 H +ATOM 9592 O1 TIP3A3198 27.452 8.902 34.051 1.00 0.00 O +ATOM 9593 H1 TIP3A3198 27.079 9.331 34.820 1.00 0.00 H +ATOM 9594 H2 TIP3A3198 26.692 8.645 33.527 1.00 0.00 H +ATOM 9595 O1 TIP3A3199 30.285 17.883 15.962 1.00 0.00 O +ATOM 9596 H1 TIP3A3199 30.806 18.455 15.400 1.00 0.00 H +ATOM 9597 H2 TIP3A3199 30.559 18.106 16.852 1.00 0.00 H +ATOM 9598 O1 TIP3A3200 35.533 52.066 42.036 1.00 0.00 O +ATOM 9599 H1 TIP3A3200 35.939 51.205 42.127 1.00 0.00 H +ATOM 9600 H2 TIP3A3200 34.818 51.931 41.414 1.00 0.00 H +ATOM 9601 O1 TIP3A3201 36.642 21.085 14.297 1.00 0.00 O +ATOM 9602 H1 TIP3A3201 35.818 21.455 14.613 1.00 0.00 H +ATOM 9603 H2 TIP3A3201 36.749 20.275 14.797 1.00 0.00 H +ATOM 9604 O1 TIP3A3202 24.723 43.658 25.263 1.00 0.00 O +ATOM 9605 H1 TIP3A3202 23.851 43.973 25.497 1.00 0.00 H +ATOM 9606 H2 TIP3A3202 25.167 43.535 26.103 1.00 0.00 H +ATOM 9607 O1 TIP3A3203 13.985 53.006 14.874 1.00 0.00 O +ATOM 9608 H1 TIP3A3203 13.553 53.738 15.313 1.00 0.00 H +ATOM 9609 H2 TIP3A3203 14.864 53.329 14.677 1.00 0.00 H +ATOM 9610 O1 TIP3A3204 23.393 40.987 39.358 1.00 0.00 O +ATOM 9611 H1 TIP3A3204 24.231 41.194 38.948 1.00 0.00 H +ATOM 9612 H2 TIP3A3204 23.434 41.411 40.216 1.00 0.00 H +ATOM 9613 O1 TIP3A3205 43.986 23.256 52.363 1.00 0.00 O +ATOM 9614 H1 TIP3A3205 44.174 22.318 52.393 1.00 0.00 H +ATOM 9615 H2 TIP3A3205 44.475 23.623 53.100 1.00 0.00 H +ATOM 9616 O1 TIP3A3206 7.963 36.802 48.317 1.00 0.00 O +ATOM 9617 H1 TIP3A3206 7.483 36.089 48.737 1.00 0.00 H +ATOM 9618 H2 TIP3A3206 8.832 36.776 48.720 1.00 0.00 H +ATOM 9619 O1 TIP3A3207 5.375 48.826 19.304 1.00 0.00 O +ATOM 9620 H1 TIP3A3207 5.051 49.406 18.616 1.00 0.00 H +ATOM 9621 H2 TIP3A3207 5.940 48.202 18.846 1.00 0.00 H +ATOM 9622 O1 TIP3A3208 40.394 55.355 23.492 1.00 0.00 O +ATOM 9623 H1 TIP3A3208 40.585 56.282 23.630 1.00 0.00 H +ATOM 9624 H2 TIP3A3208 41.091 55.051 22.909 1.00 0.00 H +ATOM 9625 O1 TIP3A3209 12.211 11.223 32.784 1.00 0.00 O +ATOM 9626 H1 TIP3A3209 11.641 11.978 32.640 1.00 0.00 H +ATOM 9627 H2 TIP3A3209 11.669 10.603 33.273 1.00 0.00 H +ATOM 9628 O1 TIP3A3210 55.363 30.778 35.303 1.00 0.00 O +ATOM 9629 H1 TIP3A3210 55.846 31.429 34.795 1.00 0.00 H +ATOM 9630 H2 TIP3A3210 55.173 31.215 36.134 1.00 0.00 H +ATOM 9631 O1 TIP3A3211 53.121 24.629 35.901 1.00 0.00 O +ATOM 9632 H1 TIP3A3211 52.780 24.022 35.245 1.00 0.00 H +ATOM 9633 H2 TIP3A3211 52.771 25.482 35.644 1.00 0.00 H +ATOM 9634 O1 TIP3A3212 9.175 51.571 7.501 1.00 0.00 O +ATOM 9635 H1 TIP3A3212 8.779 52.415 7.290 1.00 0.00 H +ATOM 9636 H2 TIP3A3212 8.778 51.320 8.336 1.00 0.00 H +ATOM 9637 O1 TIP3A3213 52.331 33.431 13.016 1.00 0.00 O +ATOM 9638 H1 TIP3A3213 52.941 34.133 13.239 1.00 0.00 H +ATOM 9639 H2 TIP3A3213 52.645 33.099 12.174 1.00 0.00 H +ATOM 9640 O1 TIP3A3214 25.936 41.839 46.979 1.00 0.00 O +ATOM 9641 H1 TIP3A3214 25.356 41.114 46.749 1.00 0.00 H +ATOM 9642 H2 TIP3A3214 25.610 42.579 46.465 1.00 0.00 H +ATOM 9643 O1 TIP3A3215 33.692 26.341 38.090 1.00 0.00 O +ATOM 9644 H1 TIP3A3215 33.339 25.461 38.216 1.00 0.00 H +ATOM 9645 H2 TIP3A3215 34.304 26.461 38.817 1.00 0.00 H +ATOM 9646 O1 TIP3A3216 26.005 57.399 0.799 1.00 0.00 O +ATOM 9647 H1 TIP3A3216 26.453 58.000 1.393 1.00 0.00 H +ATOM 9648 H2 TIP3A3216 26.528 57.420 -0.003 1.00 0.00 H +ATOM 9649 O1 TIP3A3217 40.421 36.749 45.729 1.00 0.00 O +ATOM 9650 H1 TIP3A3217 39.983 36.376 44.965 1.00 0.00 H +ATOM 9651 H2 TIP3A3217 41.065 37.357 45.363 1.00 0.00 H +ATOM 9652 O1 TIP3A3218 9.935 5.437 0.408 1.00 0.00 O +ATOM 9653 H1 TIP3A3218 9.430 5.553 1.212 1.00 0.00 H +ATOM 9654 H2 TIP3A3218 9.940 6.304 -0.000 1.00 0.00 H +ATOM 9655 O1 TIP3A3219 14.354 4.850 8.976 1.00 0.00 O +ATOM 9656 H1 TIP3A3219 13.711 4.310 8.516 1.00 0.00 H +ATOM 9657 H2 TIP3A3219 14.924 5.185 8.284 1.00 0.00 H +ATOM 9658 O1 TIP3A3220 43.097 50.668 32.886 1.00 0.00 O +ATOM 9659 H1 TIP3A3220 43.182 51.604 32.712 1.00 0.00 H +ATOM 9660 H2 TIP3A3220 42.487 50.615 33.623 1.00 0.00 H +ATOM 9661 O1 TIP3A3221 56.944 3.930 55.669 1.00 0.00 O +ATOM 9662 H1 TIP3A3221 56.558 4.672 55.205 1.00 0.00 H +ATOM 9663 H2 TIP3A3221 57.858 4.180 55.805 1.00 0.00 H +ATOM 9664 O1 TIP3A3222 37.605 41.768 6.616 1.00 0.00 O +ATOM 9665 H1 TIP3A3222 36.785 42.106 6.974 1.00 0.00 H +ATOM 9666 H2 TIP3A3222 37.702 42.214 5.774 1.00 0.00 H +ATOM 9667 O1 TIP3A3223 56.200 37.209 32.352 1.00 0.00 O +ATOM 9668 H1 TIP3A3223 56.679 36.550 31.850 1.00 0.00 H +ATOM 9669 H2 TIP3A3223 55.368 36.786 32.570 1.00 0.00 H +ATOM 9670 O1 TIP3A3224 27.877 35.524 33.557 1.00 0.00 O +ATOM 9671 H1 TIP3A3224 27.050 35.112 33.312 1.00 0.00 H +ATOM 9672 H2 TIP3A3224 27.978 36.248 32.938 1.00 0.00 H +ATOM 9673 O1 TIP3A3225 5.600 42.422 25.323 1.00 0.00 O +ATOM 9674 H1 TIP3A3225 6.410 42.031 25.648 1.00 0.00 H +ATOM 9675 H2 TIP3A3225 5.375 43.085 25.977 1.00 0.00 H +ATOM 9676 O1 TIP3A3226 43.987 12.254 33.318 1.00 0.00 O +ATOM 9677 H1 TIP3A3226 44.915 12.332 33.100 1.00 0.00 H +ATOM 9678 H2 TIP3A3226 43.852 12.888 34.023 1.00 0.00 H +ATOM 9679 O1 TIP3A3227 33.320 23.375 47.146 1.00 0.00 O +ATOM 9680 H1 TIP3A3227 32.540 23.875 46.906 1.00 0.00 H +ATOM 9681 H2 TIP3A3227 33.687 23.087 46.309 1.00 0.00 H +ATOM 9682 O1 TIP3A3228 21.272 47.130 15.560 1.00 0.00 O +ATOM 9683 H1 TIP3A3228 22.190 47.318 15.368 1.00 0.00 H +ATOM 9684 H2 TIP3A3228 21.000 46.526 14.869 1.00 0.00 H +ATOM 9685 O1 TIP3A3229 13.912 9.892 52.665 1.00 0.00 O +ATOM 9686 H1 TIP3A3229 14.830 10.154 52.608 1.00 0.00 H +ATOM 9687 H2 TIP3A3229 13.446 10.698 52.892 1.00 0.00 H +ATOM 9688 O1 TIP3A3230 54.218 39.499 18.101 1.00 0.00 O +ATOM 9689 H1 TIP3A3230 53.295 39.267 18.006 1.00 0.00 H +ATOM 9690 H2 TIP3A3230 54.239 40.451 18.004 1.00 0.00 H +ATOM 9691 O1 TIP3A3231 34.559 38.518 47.499 1.00 0.00 O +ATOM 9692 H1 TIP3A3231 34.741 37.613 47.248 1.00 0.00 H +ATOM 9693 H2 TIP3A3231 33.677 38.687 47.165 1.00 0.00 H +ATOM 9694 O1 TIP3A3232 20.910 44.477 53.045 1.00 0.00 O +ATOM 9695 H1 TIP3A3232 19.962 44.419 53.164 1.00 0.00 H +ATOM 9696 H2 TIP3A3232 21.158 43.631 52.672 1.00 0.00 H +ATOM 9697 O1 TIP3A3233 55.370 48.946 45.784 1.00 0.00 O +ATOM 9698 H1 TIP3A3233 55.021 49.808 45.559 1.00 0.00 H +ATOM 9699 H2 TIP3A3233 56.266 48.954 45.445 1.00 0.00 H +ATOM 9700 O1 TIP3A3234 54.543 2.717 55.370 1.00 0.00 O +ATOM 9701 H1 TIP3A3234 53.690 3.142 55.460 1.00 0.00 H +ATOM 9702 H2 TIP3A3234 54.866 2.634 56.268 1.00 0.00 H +ATOM 9703 O1 TIP3A3235 0.644 3.605 26.119 1.00 0.00 O +ATOM 9704 H1 TIP3A3235 1.466 4.001 25.830 1.00 0.00 H +ATOM 9705 H2 TIP3A3235 0.618 2.756 25.678 1.00 0.00 H +ATOM 9706 O1 TIP3A3236 22.797 1.277 16.291 1.00 0.00 O +ATOM 9707 H1 TIP3A3236 22.560 0.591 16.915 1.00 0.00 H +ATOM 9708 H2 TIP3A3236 22.970 2.046 16.835 1.00 0.00 H +ATOM 9709 O1 TIP3A3237 5.105 56.446 52.401 1.00 0.00 O +ATOM 9710 H1 TIP3A3237 5.415 56.979 51.670 1.00 0.00 H +ATOM 9711 H2 TIP3A3237 4.956 57.074 53.110 1.00 0.00 H +ATOM 9712 O1 TIP3A3238 42.324 8.336 14.974 1.00 0.00 O +ATOM 9713 H1 TIP3A3238 42.789 7.501 15.012 1.00 0.00 H +ATOM 9714 H2 TIP3A3238 42.984 8.966 14.684 1.00 0.00 H +ATOM 9715 O1 TIP3A3239 49.605 37.335 10.008 1.00 0.00 O +ATOM 9716 H1 TIP3A3239 50.448 36.938 10.226 1.00 0.00 H +ATOM 9717 H2 TIP3A3239 49.330 36.889 9.206 1.00 0.00 H +ATOM 9718 O1 TIP3A3240 10.208 48.270 19.961 1.00 0.00 O +ATOM 9719 H1 TIP3A3240 9.530 47.973 20.567 1.00 0.00 H +ATOM 9720 H2 TIP3A3240 10.717 47.483 19.766 1.00 0.00 H +ATOM 9721 O1 TIP3A3241 5.057 18.510 44.896 1.00 0.00 O +ATOM 9722 H1 TIP3A3241 4.117 18.348 44.819 1.00 0.00 H +ATOM 9723 H2 TIP3A3241 5.412 17.698 45.259 1.00 0.00 H +ATOM 9724 O1 TIP3A3242 51.557 49.429 19.221 1.00 0.00 O +ATOM 9725 H1 TIP3A3242 52.360 48.974 19.472 1.00 0.00 H +ATOM 9726 H2 TIP3A3242 51.254 48.968 18.438 1.00 0.00 H +ATOM 9727 O1 TIP3A3243 34.023 39.294 34.691 1.00 0.00 O +ATOM 9728 H1 TIP3A3243 34.110 39.759 33.860 1.00 0.00 H +ATOM 9729 H2 TIP3A3243 34.921 39.206 35.013 1.00 0.00 H +ATOM 9730 O1 TIP3A3244 19.591 24.096 14.100 1.00 0.00 O +ATOM 9731 H1 TIP3A3244 20.395 24.213 13.596 1.00 0.00 H +ATOM 9732 H2 TIP3A3244 19.189 23.308 13.732 1.00 0.00 H +ATOM 9733 O1 TIP3A3245 31.637 50.597 33.609 1.00 0.00 O +ATOM 9734 H1 TIP3A3245 31.144 51.407 33.730 1.00 0.00 H +ATOM 9735 H2 TIP3A3245 31.140 49.938 34.096 1.00 0.00 H +ATOM 9736 O1 TIP3A3246 44.133 15.222 51.228 1.00 0.00 O +ATOM 9737 H1 TIP3A3246 43.567 15.993 51.213 1.00 0.00 H +ATOM 9738 H2 TIP3A3246 44.965 15.528 50.867 1.00 0.00 H +ATOM 9739 O1 TIP3A3247 0.951 46.859 2.960 1.00 0.00 O +ATOM 9740 H1 TIP3A3247 1.550 46.114 2.928 1.00 0.00 H +ATOM 9741 H2 TIP3A3247 1.289 47.408 3.668 1.00 0.00 H +ATOM 9742 O1 TIP3A3248 3.979 25.474 33.928 1.00 0.00 O +ATOM 9743 H1 TIP3A3248 3.648 24.593 34.095 1.00 0.00 H +ATOM 9744 H2 TIP3A3248 4.919 25.355 33.784 1.00 0.00 H +ATOM 9745 O1 TIP3A3249 0.992 27.105 34.170 1.00 0.00 O +ATOM 9746 H1 TIP3A3249 0.086 26.940 33.909 1.00 0.00 H +ATOM 9747 H2 TIP3A3249 1.225 27.920 33.724 1.00 0.00 H +ATOM 9748 O1 TIP3A3250 47.466 45.881 4.527 1.00 0.00 O +ATOM 9749 H1 TIP3A3250 48.129 46.552 4.686 1.00 0.00 H +ATOM 9750 H2 TIP3A3250 47.732 45.470 3.704 1.00 0.00 H +ATOM 9751 O1 TIP3A3251 38.989 1.703 45.927 1.00 0.00 O +ATOM 9752 H1 TIP3A3251 39.911 1.857 45.726 1.00 0.00 H +ATOM 9753 H2 TIP3A3251 38.995 0.954 46.525 1.00 0.00 H +ATOM 9754 O1 TIP3A3252 38.255 49.982 21.980 1.00 0.00 O +ATOM 9755 H1 TIP3A3252 38.379 49.042 22.111 1.00 0.00 H +ATOM 9756 H2 TIP3A3252 38.586 50.382 22.784 1.00 0.00 H +ATOM 9757 O1 TIP3A3253 11.864 15.215 46.843 1.00 0.00 O +ATOM 9758 H1 TIP3A3253 12.489 14.496 46.752 1.00 0.00 H +ATOM 9759 H2 TIP3A3253 11.533 15.359 45.955 1.00 0.00 H +ATOM 9760 O1 TIP3A3254 40.647 15.114 20.361 1.00 0.00 O +ATOM 9761 H1 TIP3A3254 39.983 15.483 19.779 1.00 0.00 H +ATOM 9762 H2 TIP3A3254 41.384 14.908 19.784 1.00 0.00 H +ATOM 9763 O1 TIP3A3255 40.761 51.327 35.366 1.00 0.00 O +ATOM 9764 H1 TIP3A3255 41.174 50.474 35.496 1.00 0.00 H +ATOM 9765 H2 TIP3A3255 41.487 51.952 35.392 1.00 0.00 H +ATOM 9766 O1 TIP3A3256 41.181 41.376 38.233 1.00 0.00 O +ATOM 9767 H1 TIP3A3256 41.287 40.432 38.344 1.00 0.00 H +ATOM 9768 H2 TIP3A3256 41.481 41.750 39.063 1.00 0.00 H +ATOM 9769 O1 TIP3A3257 19.925 24.323 16.769 1.00 0.00 O +ATOM 9770 H1 TIP3A3257 19.173 23.734 16.725 1.00 0.00 H +ATOM 9771 H2 TIP3A3257 19.727 25.014 16.137 1.00 0.00 H +ATOM 9772 O1 TIP3A3258 42.414 36.626 37.330 1.00 0.00 O +ATOM 9773 H1 TIP3A3258 41.696 35.999 37.247 1.00 0.00 H +ATOM 9774 H2 TIP3A3258 42.200 37.320 36.705 1.00 0.00 H +ATOM 9775 O1 TIP3A3259 17.979 26.555 33.225 1.00 0.00 O +ATOM 9776 H1 TIP3A3259 18.292 26.887 32.385 1.00 0.00 H +ATOM 9777 H2 TIP3A3259 17.211 26.027 33.003 1.00 0.00 H +ATOM 9778 O1 TIP3A3260 18.474 45.991 41.585 1.00 0.00 O +ATOM 9779 H1 TIP3A3260 19.297 46.407 41.330 1.00 0.00 H +ATOM 9780 H2 TIP3A3260 18.409 46.144 42.528 1.00 0.00 H +ATOM 9781 O1 TIP3A3261 2.500 22.659 36.928 1.00 0.00 O +ATOM 9782 H1 TIP3A3261 2.075 23.014 36.149 1.00 0.00 H +ATOM 9783 H2 TIP3A3261 1.777 22.392 37.496 1.00 0.00 H +ATOM 9784 O1 TIP3A3262 16.505 32.899 24.383 1.00 0.00 O +ATOM 9785 H1 TIP3A3262 16.658 31.977 24.582 1.00 0.00 H +ATOM 9786 H2 TIP3A3262 17.381 33.279 24.311 1.00 0.00 H +ATOM 9787 O1 TIP3A3263 42.132 1.690 52.914 1.00 0.00 O +ATOM 9788 H1 TIP3A3263 42.707 2.374 53.255 1.00 0.00 H +ATOM 9789 H2 TIP3A3263 42.674 0.900 52.912 1.00 0.00 H +ATOM 9790 O1 TIP3A3264 17.429 33.294 47.373 1.00 0.00 O +ATOM 9791 H1 TIP3A3264 17.863 34.144 47.300 1.00 0.00 H +ATOM 9792 H2 TIP3A3264 17.974 32.701 46.855 1.00 0.00 H +ATOM 9793 O1 TIP3A3265 12.694 38.869 1.067 1.00 0.00 O +ATOM 9794 H1 TIP3A3265 12.452 37.991 1.362 1.00 0.00 H +ATOM 9795 H2 TIP3A3265 12.076 39.064 0.362 1.00 0.00 H +ATOM 9796 O1 TIP3A3266 42.709 25.223 2.949 1.00 0.00 O +ATOM 9797 H1 TIP3A3266 42.368 25.905 2.371 1.00 0.00 H +ATOM 9798 H2 TIP3A3266 43.654 25.376 2.970 1.00 0.00 H +ATOM 9799 O1 TIP3A3267 20.282 29.887 34.816 1.00 0.00 O +ATOM 9800 H1 TIP3A3267 19.335 30.023 34.833 1.00 0.00 H +ATOM 9801 H2 TIP3A3267 20.610 30.558 34.217 1.00 0.00 H +ATOM 9802 O1 TIP3A3268 4.628 15.359 45.529 1.00 0.00 O +ATOM 9803 H1 TIP3A3268 5.461 15.415 45.997 1.00 0.00 H +ATOM 9804 H2 TIP3A3268 4.070 16.010 45.954 1.00 0.00 H +ATOM 9805 O1 TIP3A3269 53.663 23.881 47.194 1.00 0.00 O +ATOM 9806 H1 TIP3A3269 54.243 23.404 47.786 1.00 0.00 H +ATOM 9807 H2 TIP3A3269 53.738 24.795 47.469 1.00 0.00 H +ATOM 9808 O1 TIP3A3270 0.348 4.333 20.100 1.00 0.00 O +ATOM 9809 H1 TIP3A3270 0.964 5.037 19.900 1.00 0.00 H +ATOM 9810 H2 TIP3A3270 0.156 4.440 21.032 1.00 0.00 H +ATOM 9811 O1 TIP3A3271 40.679 4.928 42.498 1.00 0.00 O +ATOM 9812 H1 TIP3A3271 40.672 4.013 42.218 1.00 0.00 H +ATOM 9813 H2 TIP3A3271 40.279 5.405 41.770 1.00 0.00 H +ATOM 9814 O1 TIP3A3272 16.200 26.503 47.847 1.00 0.00 O +ATOM 9815 H1 TIP3A3272 15.418 25.959 47.936 1.00 0.00 H +ATOM 9816 H2 TIP3A3272 16.801 25.976 47.320 1.00 0.00 H +ATOM 9817 O1 TIP3A3273 52.697 13.562 32.124 1.00 0.00 O +ATOM 9818 H1 TIP3A3273 52.566 13.054 32.924 1.00 0.00 H +ATOM 9819 H2 TIP3A3273 53.115 12.950 31.517 1.00 0.00 H +ATOM 9820 O1 TIP3A3274 28.408 30.732 42.595 1.00 0.00 O +ATOM 9821 H1 TIP3A3274 29.134 30.338 42.113 1.00 0.00 H +ATOM 9822 H2 TIP3A3274 27.629 30.494 42.092 1.00 0.00 H +ATOM 9823 O1 TIP3A3275 9.398 36.261 13.757 1.00 0.00 O +ATOM 9824 H1 TIP3A3275 8.521 36.125 13.402 1.00 0.00 H +ATOM 9825 H2 TIP3A3275 9.885 36.672 13.042 1.00 0.00 H +ATOM 9826 O1 TIP3A3276 48.044 1.860 50.668 1.00 0.00 O +ATOM 9827 H1 TIP3A3276 47.738 0.968 50.507 1.00 0.00 H +ATOM 9828 H2 TIP3A3276 47.410 2.417 50.214 1.00 0.00 H +ATOM 9829 O1 TIP3A3277 4.828 22.946 32.344 1.00 0.00 O +ATOM 9830 H1 TIP3A3277 4.490 23.823 32.165 1.00 0.00 H +ATOM 9831 H2 TIP3A3277 4.322 22.643 33.098 1.00 0.00 H +ATOM 9832 O1 TIP3A3278 23.178 12.324 0.758 1.00 0.00 O +ATOM 9833 H1 TIP3A3278 23.844 11.697 0.478 1.00 0.00 H +ATOM 9834 H2 TIP3A3278 23.049 12.894 -0.001 1.00 0.00 H +ATOM 9835 O1 TIP3A3279 50.563 33.719 11.273 1.00 0.00 O +ATOM 9836 H1 TIP3A3279 51.222 34.390 11.098 1.00 0.00 H +ATOM 9837 H2 TIP3A3279 50.771 33.012 10.662 1.00 0.00 H +ATOM 9838 O1 TIP3A3280 57.282 14.488 22.140 1.00 0.00 O +ATOM 9839 H1 TIP3A3280 56.468 13.986 22.185 1.00 0.00 H +ATOM 9840 H2 TIP3A3280 57.126 15.137 21.453 1.00 0.00 H +ATOM 9841 O1 TIP3A3281 27.737 36.539 55.766 1.00 0.00 O +ATOM 9842 H1 TIP3A3281 27.963 37.400 56.116 1.00 0.00 H +ATOM 9843 H2 TIP3A3281 27.746 36.655 54.816 1.00 0.00 H +ATOM 9844 O1 TIP3A3282 4.090 29.836 43.071 1.00 0.00 O +ATOM 9845 H1 TIP3A3282 4.158 28.890 42.950 1.00 0.00 H +ATOM 9846 H2 TIP3A3282 4.919 30.087 43.480 1.00 0.00 H +ATOM 9847 O1 TIP3A3283 3.047 16.014 10.531 1.00 0.00 O +ATOM 9848 H1 TIP3A3283 2.446 16.744 10.680 1.00 0.00 H +ATOM 9849 H2 TIP3A3283 2.780 15.350 11.168 1.00 0.00 H +ATOM 9850 O1 TIP3A3284 31.323 47.828 24.438 1.00 0.00 O +ATOM 9851 H1 TIP3A3284 31.469 48.218 23.578 1.00 0.00 H +ATOM 9852 H2 TIP3A3284 32.157 47.935 24.896 1.00 0.00 H +ATOM 9853 O1 TIP3A3285 50.303 28.011 38.738 1.00 0.00 O +ATOM 9854 H1 TIP3A3285 49.564 28.300 39.272 1.00 0.00 H +ATOM 9855 H2 TIP3A3285 51.008 28.624 38.951 1.00 0.00 H +ATOM 9856 O1 TIP3A3286 21.577 17.283 29.282 1.00 0.00 O +ATOM 9857 H1 TIP3A3286 21.091 17.456 30.087 1.00 0.00 H +ATOM 9858 H2 TIP3A3286 22.244 16.645 29.536 1.00 0.00 H +ATOM 9859 O1 TIP3A3287 41.487 23.632 46.416 1.00 0.00 O +ATOM 9860 H1 TIP3A3287 42.089 24.375 46.385 1.00 0.00 H +ATOM 9861 H2 TIP3A3287 40.911 23.820 47.157 1.00 0.00 H +ATOM 9862 O1 TIP3A3288 19.638 46.072 27.879 1.00 0.00 O +ATOM 9863 H1 TIP3A3288 19.349 46.968 27.715 1.00 0.00 H +ATOM 9864 H2 TIP3A3288 20.589 46.101 27.767 1.00 0.00 H +ATOM 9865 O1 TIP3A3289 13.221 7.085 52.612 1.00 0.00 O +ATOM 9866 H1 TIP3A3289 13.811 6.347 52.760 1.00 0.00 H +ATOM 9867 H2 TIP3A3289 12.626 6.783 51.925 1.00 0.00 H +ATOM 9868 O1 TIP3A3290 6.135 30.534 22.422 1.00 0.00 O +ATOM 9869 H1 TIP3A3290 6.624 31.343 22.572 1.00 0.00 H +ATOM 9870 H2 TIP3A3290 6.630 30.076 21.742 1.00 0.00 H +ATOM 9871 O1 TIP3A3291 53.030 33.358 47.955 1.00 0.00 O +ATOM 9872 H1 TIP3A3291 52.899 32.604 48.529 1.00 0.00 H +ATOM 9873 H2 TIP3A3291 52.747 34.109 48.477 1.00 0.00 H +ATOM 9874 O1 TIP3A3292 33.495 16.686 42.733 1.00 0.00 O +ATOM 9875 H1 TIP3A3292 33.874 16.121 42.060 1.00 0.00 H +ATOM 9876 H2 TIP3A3292 34.251 17.059 43.187 1.00 0.00 H +ATOM 9877 O1 TIP3A3293 31.546 21.267 51.057 1.00 0.00 O +ATOM 9878 H1 TIP3A3293 30.993 21.260 51.837 1.00 0.00 H +ATOM 9879 H2 TIP3A3293 31.703 20.342 50.864 1.00 0.00 H +ATOM 9880 O1 TIP3A3294 22.577 18.709 24.442 1.00 0.00 O +ATOM 9881 H1 TIP3A3294 22.487 17.877 23.979 1.00 0.00 H +ATOM 9882 H2 TIP3A3294 23.160 19.230 23.890 1.00 0.00 H +ATOM 9883 O1 TIP3A3295 37.233 29.642 12.216 1.00 0.00 O +ATOM 9884 H1 TIP3A3295 38.060 30.120 12.279 1.00 0.00 H +ATOM 9885 H2 TIP3A3295 36.668 30.054 12.871 1.00 0.00 H +ATOM 9886 O1 TIP3A3296 56.365 35.636 10.137 1.00 0.00 O +ATOM 9887 H1 TIP3A3296 55.798 34.974 9.744 1.00 0.00 H +ATOM 9888 H2 TIP3A3296 56.407 36.335 9.484 1.00 0.00 H +ATOM 9889 O1 TIP3A3297 2.888 38.708 25.532 1.00 0.00 O +ATOM 9890 H1 TIP3A3297 2.863 37.841 25.937 1.00 0.00 H +ATOM 9891 H2 TIP3A3297 3.696 38.709 25.017 1.00 0.00 H +ATOM 9892 O1 TIP3A3298 48.549 22.001 50.676 1.00 0.00 O +ATOM 9893 H1 TIP3A3298 48.140 21.255 50.238 1.00 0.00 H +ATOM 9894 H2 TIP3A3298 49.148 21.607 51.311 1.00 0.00 H +ATOM 9895 O1 TIP3A3299 31.851 21.858 15.076 1.00 0.00 O +ATOM 9896 H1 TIP3A3299 32.780 21.650 15.167 1.00 0.00 H +ATOM 9897 H2 TIP3A3299 31.584 21.419 14.268 1.00 0.00 H +ATOM 9898 O1 TIP3A3300 48.545 41.240 10.479 1.00 0.00 O +ATOM 9899 H1 TIP3A3300 48.493 40.451 9.940 1.00 0.00 H +ATOM 9900 H2 TIP3A3300 49.297 41.090 11.052 1.00 0.00 H +ATOM 9901 O1 TIP3A3301 22.378 41.628 7.995 1.00 0.00 O +ATOM 9902 H1 TIP3A3301 22.811 42.359 8.435 1.00 0.00 H +ATOM 9903 H2 TIP3A3301 21.845 41.218 8.677 1.00 0.00 H +ATOM 9904 O1 TIP3A3302 3.396 18.394 33.617 1.00 0.00 O +ATOM 9905 H1 TIP3A3302 2.821 18.228 34.363 1.00 0.00 H +ATOM 9906 H2 TIP3A3302 3.645 17.523 33.307 1.00 0.00 H +ATOM 9907 O1 TIP3A3303 16.870 4.115 47.973 1.00 0.00 O +ATOM 9908 H1 TIP3A3303 15.970 3.849 48.156 1.00 0.00 H +ATOM 9909 H2 TIP3A3303 17.283 3.331 47.609 1.00 0.00 H +ATOM 9910 O1 TIP3A3304 6.496 38.837 16.761 1.00 0.00 O +ATOM 9911 H1 TIP3A3304 5.719 38.846 16.203 1.00 0.00 H +ATOM 9912 H2 TIP3A3304 7.229 38.756 16.150 1.00 0.00 H +ATOM 9913 O1 TIP3A3305 52.721 49.950 47.224 1.00 0.00 O +ATOM 9914 H1 TIP3A3305 53.667 50.078 47.283 1.00 0.00 H +ATOM 9915 H2 TIP3A3305 52.610 49.296 46.533 1.00 0.00 H +ATOM 9916 O1 TIP3A3306 26.839 27.533 42.876 1.00 0.00 O +ATOM 9917 H1 TIP3A3306 27.036 28.463 42.763 1.00 0.00 H +ATOM 9918 H2 TIP3A3306 27.537 27.081 42.400 1.00 0.00 H +ATOM 9919 O1 TIP3A3307 5.072 43.120 17.317 1.00 0.00 O +ATOM 9920 H1 TIP3A3307 5.808 42.515 17.225 1.00 0.00 H +ATOM 9921 H2 TIP3A3307 5.422 43.848 17.833 1.00 0.00 H +ATOM 9922 O1 TIP3A3308 6.234 18.754 25.895 1.00 0.00 O +ATOM 9923 H1 TIP3A3308 6.910 18.078 25.871 1.00 0.00 H +ATOM 9924 H2 TIP3A3308 6.529 19.366 26.569 1.00 0.00 H +ATOM 9925 O1 TIP3A3309 30.017 24.806 28.267 1.00 0.00 O +ATOM 9926 H1 TIP3A3309 30.969 24.715 28.275 1.00 0.00 H +ATOM 9927 H2 TIP3A3309 29.789 25.026 29.171 1.00 0.00 H +ATOM 9928 O1 TIP3A3310 41.259 27.974 37.759 1.00 0.00 O +ATOM 9929 H1 TIP3A3310 41.814 28.629 38.181 1.00 0.00 H +ATOM 9930 H2 TIP3A3310 40.728 28.472 37.138 1.00 0.00 H +ATOM 9931 O1 TIP3A3311 31.183 27.769 55.284 1.00 0.00 O +ATOM 9932 H1 TIP3A3311 31.188 26.905 55.694 1.00 0.00 H +ATOM 9933 H2 TIP3A3311 32.101 27.941 55.074 1.00 0.00 H +ATOM 9934 O1 TIP3A3312 50.218 18.752 24.723 1.00 0.00 O +ATOM 9935 H1 TIP3A3312 51.171 18.832 24.722 1.00 0.00 H +ATOM 9936 H2 TIP3A3312 50.027 18.176 25.464 1.00 0.00 H +ATOM 9937 O1 TIP3A3313 27.412 16.514 19.179 1.00 0.00 O +ATOM 9938 H1 TIP3A3313 28.333 16.375 19.397 1.00 0.00 H +ATOM 9939 H2 TIP3A3313 27.090 17.105 19.861 1.00 0.00 H +ATOM 9940 O1 TIP3A3314 24.679 17.247 53.854 1.00 0.00 O +ATOM 9941 H1 TIP3A3314 24.579 16.996 52.936 1.00 0.00 H +ATOM 9942 H2 TIP3A3314 24.408 16.470 54.345 1.00 0.00 H +ATOM 9943 O1 TIP3A3315 47.117 6.686 47.074 1.00 0.00 O +ATOM 9944 H1 TIP3A3315 48.053 6.652 47.268 1.00 0.00 H +ATOM 9945 H2 TIP3A3315 46.778 7.376 47.646 1.00 0.00 H +ATOM 9946 O1 TIP3A3316 44.102 15.045 6.943 1.00 0.00 O +ATOM 9947 H1 TIP3A3316 43.814 14.741 7.803 1.00 0.00 H +ATOM 9948 H2 TIP3A3316 43.291 15.223 6.467 1.00 0.00 H +ATOM 9949 O1 TIP3A3317 28.282 2.371 34.544 1.00 0.00 O +ATOM 9950 H1 TIP3A3317 28.656 1.507 34.715 1.00 0.00 H +ATOM 9951 H2 TIP3A3317 27.524 2.197 33.986 1.00 0.00 H +ATOM 9952 O1 TIP3A3318 50.449 34.531 16.255 1.00 0.00 O +ATOM 9953 H1 TIP3A3318 50.356 33.616 16.518 1.00 0.00 H +ATOM 9954 H2 TIP3A3318 51.025 34.913 16.918 1.00 0.00 H +ATOM 9955 O1 TIP3A3319 48.049 51.787 41.682 1.00 0.00 O +ATOM 9956 H1 TIP3A3319 48.043 52.704 41.954 1.00 0.00 H +ATOM 9957 H2 TIP3A3319 47.435 51.356 42.278 1.00 0.00 H +ATOM 9958 O1 TIP3A3320 51.438 29.802 17.002 1.00 0.00 O +ATOM 9959 H1 TIP3A3320 51.349 30.590 17.537 1.00 0.00 H +ATOM 9960 H2 TIP3A3320 50.852 29.166 17.414 1.00 0.00 H +ATOM 9961 O1 TIP3A3321 43.444 36.390 46.176 1.00 0.00 O +ATOM 9962 H1 TIP3A3321 43.400 37.272 46.543 1.00 0.00 H +ATOM 9963 H2 TIP3A3321 43.044 35.832 46.844 1.00 0.00 H +ATOM 9964 O1 TIP3A3322 18.535 6.816 51.322 1.00 0.00 O +ATOM 9965 H1 TIP3A3322 18.117 7.472 50.764 1.00 0.00 H +ATOM 9966 H2 TIP3A3322 18.074 6.001 51.120 1.00 0.00 H +ATOM 9967 O1 TIP3A3323 28.021 -0.004 23.754 1.00 0.00 O +ATOM 9968 H1 TIP3A3323 28.022 0.398 24.622 1.00 0.00 H +ATOM 9969 H2 TIP3A3323 27.224 0.325 23.338 1.00 0.00 H +ATOM 9970 O1 TIP3A3324 55.679 5.710 4.005 1.00 0.00 O +ATOM 9971 H1 TIP3A3324 56.558 6.086 4.045 1.00 0.00 H +ATOM 9972 H2 TIP3A3324 55.788 4.896 3.513 1.00 0.00 H +ATOM 9973 O1 TIP3A3325 44.389 44.924 50.010 1.00 0.00 O +ATOM 9974 H1 TIP3A3325 45.262 45.258 50.210 1.00 0.00 H +ATOM 9975 H2 TIP3A3325 43.841 45.236 50.731 1.00 0.00 H +ATOM 9976 O1 TIP3A3326 12.408 16.873 5.771 1.00 0.00 O +ATOM 9977 H1 TIP3A3326 11.682 16.940 5.152 1.00 0.00 H +ATOM 9978 H2 TIP3A3326 13.113 17.383 5.370 1.00 0.00 H +ATOM 9979 O1 TIP3A3327 47.909 17.602 5.036 1.00 0.00 O +ATOM 9980 H1 TIP3A3327 48.547 17.044 4.592 1.00 0.00 H +ATOM 9981 H2 TIP3A3327 48.404 18.019 5.742 1.00 0.00 H +ATOM 9982 O1 TIP3A3328 32.155 0.394 39.982 1.00 0.00 O +ATOM 9983 H1 TIP3A3328 31.492 0.115 40.612 1.00 0.00 H +ATOM 9984 H2 TIP3A3328 31.672 0.519 39.165 1.00 0.00 H +ATOM 9985 O1 TIP3A3329 22.199 38.932 51.023 1.00 0.00 O +ATOM 9986 H1 TIP3A3329 23.118 39.192 50.967 1.00 0.00 H +ATOM 9987 H2 TIP3A3329 21.817 39.535 51.661 1.00 0.00 H +ATOM 9988 O1 TIP3A3330 45.506 32.526 54.078 1.00 0.00 O +ATOM 9989 H1 TIP3A3330 45.840 33.258 54.595 1.00 0.00 H +ATOM 9990 H2 TIP3A3330 44.908 32.067 54.669 1.00 0.00 H +ATOM 9991 O1 TIP3A3331 51.451 33.829 24.297 1.00 0.00 O +ATOM 9992 H1 TIP3A3331 52.041 33.126 24.565 1.00 0.00 H +ATOM 9993 H2 TIP3A3331 50.955 33.461 23.565 1.00 0.00 H +ATOM 9994 O1 TIP3A3332 0.906 6.987 52.851 1.00 0.00 O +ATOM 9995 H1 TIP3A3332 -0.000 7.240 52.677 1.00 0.00 H +ATOM 9996 H2 TIP3A3332 1.086 7.330 53.727 1.00 0.00 H +ATOM 9997 O1 TIP3A3333 20.511 55.648 50.442 1.00 0.00 O +ATOM 9998 H1 TIP3A3333 21.201 55.705 51.102 1.00 0.00 H +ATOM 9999 H2 TIP3A3333 20.644 54.794 50.029 1.00 0.00 H +ATOM 10000 O1 TIP3A3334 9.479 46.106 58.002 1.00 0.00 O +ATOM 10001 H1 TIP3A3334 10.369 45.794 57.838 1.00 0.00 H +ATOM 10002 H2 TIP3A3334 9.322 46.756 57.317 1.00 0.00 H +ATOM 10003 O1 TIP3A3335 1.984 7.042 20.229 1.00 0.00 O +ATOM 10004 H1 TIP3A3335 2.939 7.074 20.268 1.00 0.00 H +ATOM 10005 H2 TIP3A3335 1.696 7.500 21.020 1.00 0.00 H +ATOM 10006 O1 TIP3A3336 9.790 20.699 55.884 1.00 0.00 O +ATOM 10007 H1 TIP3A3336 9.544 19.775 55.873 1.00 0.00 H +ATOM 10008 H2 TIP3A3336 9.123 21.132 55.351 1.00 0.00 H +ATOM 10009 O1 TIP3A3337 26.379 43.174 9.718 1.00 0.00 O +ATOM 10010 H1 TIP3A3337 26.799 42.390 10.071 1.00 0.00 H +ATOM 10011 H2 TIP3A3337 25.976 42.882 8.900 1.00 0.00 H +ATOM 10012 O1 TIP3A3338 41.846 46.431 1.580 1.00 0.00 O +ATOM 10013 H1 TIP3A3338 42.180 45.538 1.500 1.00 0.00 H +ATOM 10014 H2 TIP3A3338 42.403 46.837 2.245 1.00 0.00 H +ATOM 10015 O1 TIP3A3339 10.508 2.196 46.169 1.00 0.00 O +ATOM 10016 H1 TIP3A3339 10.563 1.358 46.627 1.00 0.00 H +ATOM 10017 H2 TIP3A3339 9.808 2.074 45.527 1.00 0.00 H +ATOM 10018 O1 TIP3A3340 28.155 55.022 42.622 1.00 0.00 O +ATOM 10019 H1 TIP3A3340 27.918 55.943 42.721 1.00 0.00 H +ATOM 10020 H2 TIP3A3340 29.092 55.034 42.428 1.00 0.00 H +ATOM 10021 O1 TIP3A3341 15.681 31.219 21.981 1.00 0.00 O +ATOM 10022 H1 TIP3A3341 15.389 32.096 22.228 1.00 0.00 H +ATOM 10023 H2 TIP3A3341 16.238 31.358 21.214 1.00 0.00 H +ATOM 10024 O1 TIP3A3342 25.525 1.741 32.056 1.00 0.00 O +ATOM 10025 H1 TIP3A3342 25.309 1.488 32.953 1.00 0.00 H +ATOM 10026 H2 TIP3A3342 25.621 2.694 32.091 1.00 0.00 H +ATOM 10027 O1 TIP3A3343 33.232 43.851 20.351 1.00 0.00 O +ATOM 10028 H1 TIP3A3343 33.895 43.162 20.369 1.00 0.00 H +ATOM 10029 H2 TIP3A3343 32.843 43.834 21.226 1.00 0.00 H +ATOM 10030 O1 TIP3A3344 43.948 8.147 40.798 1.00 0.00 O +ATOM 10031 H1 TIP3A3344 44.447 8.781 40.284 1.00 0.00 H +ATOM 10032 H2 TIP3A3344 44.538 7.398 40.893 1.00 0.00 H +ATOM 10033 O1 TIP3A3345 34.994 41.142 22.570 1.00 0.00 O +ATOM 10034 H1 TIP3A3345 34.921 41.993 22.139 1.00 0.00 H +ATOM 10035 H2 TIP3A3345 34.173 40.695 22.361 1.00 0.00 H +ATOM 10036 O1 TIP3A3346 30.676 53.057 48.249 1.00 0.00 O +ATOM 10037 H1 TIP3A3346 29.796 53.198 48.597 1.00 0.00 H +ATOM 10038 H2 TIP3A3346 30.717 53.610 47.467 1.00 0.00 H +ATOM 10039 O1 TIP3A3347 28.818 35.742 27.912 1.00 0.00 O +ATOM 10040 H1 TIP3A3347 28.939 34.796 27.839 1.00 0.00 H +ATOM 10041 H2 TIP3A3347 29.353 35.995 28.665 1.00 0.00 H +ATOM 10042 O1 TIP3A3348 27.965 44.579 26.141 1.00 0.00 O +ATOM 10043 H1 TIP3A3348 27.858 45.528 26.076 1.00 0.00 H +ATOM 10044 H2 TIP3A3348 28.605 44.363 25.462 1.00 0.00 H +ATOM 10045 O1 TIP3A3349 13.351 0.131 46.047 1.00 0.00 O +ATOM 10046 H1 TIP3A3349 13.534 1.058 46.196 1.00 0.00 H +ATOM 10047 H2 TIP3A3349 12.447 0.015 46.341 1.00 0.00 H +ATOM 10048 O1 TIP3A3350 18.375 33.250 51.092 1.00 0.00 O +ATOM 10049 H1 TIP3A3350 19.055 32.967 51.702 1.00 0.00 H +ATOM 10050 H2 TIP3A3350 18.621 34.145 50.857 1.00 0.00 H +ATOM 10051 O1 TIP3A3351 4.312 20.681 43.173 1.00 0.00 O +ATOM 10052 H1 TIP3A3351 3.650 20.039 43.431 1.00 0.00 H +ATOM 10053 H2 TIP3A3351 5.110 20.393 43.617 1.00 0.00 H +ATOM 10054 O1 TIP3A3352 19.478 27.945 8.371 1.00 0.00 O +ATOM 10055 H1 TIP3A3352 19.503 28.046 7.420 1.00 0.00 H +ATOM 10056 H2 TIP3A3352 20.029 27.182 8.545 1.00 0.00 H +ATOM 10057 O1 TIP3A3353 56.194 30.813 2.956 1.00 0.00 O +ATOM 10058 H1 TIP3A3353 56.829 31.414 2.569 1.00 0.00 H +ATOM 10059 H2 TIP3A3353 55.502 31.381 3.297 1.00 0.00 H +ATOM 10060 O1 TIP3A3354 19.103 13.159 10.972 1.00 0.00 O +ATOM 10061 H1 TIP3A3354 19.268 13.451 10.076 1.00 0.00 H +ATOM 10062 H2 TIP3A3354 18.655 12.318 10.872 1.00 0.00 H +ATOM 10063 O1 TIP3A3355 35.670 57.628 31.689 1.00 0.00 O +ATOM 10064 H1 TIP3A3355 35.019 57.958 31.071 1.00 0.00 H +ATOM 10065 H2 TIP3A3355 35.452 56.701 31.796 1.00 0.00 H +ATOM 10066 O1 TIP3A3356 33.527 40.292 49.859 1.00 0.00 O +ATOM 10067 H1 TIP3A3356 33.916 41.165 49.841 1.00 0.00 H +ATOM 10068 H2 TIP3A3356 33.615 40.008 50.770 1.00 0.00 H +ATOM 10069 O1 TIP3A3357 19.485 47.763 13.225 1.00 0.00 O +ATOM 10070 H1 TIP3A3357 20.424 47.948 13.223 1.00 0.00 H +ATOM 10071 H2 TIP3A3357 19.122 48.372 13.869 1.00 0.00 H +ATOM 10072 O1 TIP3A3358 0.741 36.131 38.220 1.00 0.00 O +ATOM 10073 H1 TIP3A3358 1.226 36.672 38.842 1.00 0.00 H +ATOM 10074 H2 TIP3A3358 1.018 36.448 37.360 1.00 0.00 H +ATOM 10075 O1 TIP3A3359 33.419 46.727 16.830 1.00 0.00 O +ATOM 10076 H1 TIP3A3359 33.011 46.842 17.688 1.00 0.00 H +ATOM 10077 H2 TIP3A3359 34.102 47.399 16.797 1.00 0.00 H +ATOM 10078 O1 TIP3A3360 15.909 51.712 33.778 1.00 0.00 O +ATOM 10079 H1 TIP3A3360 15.989 52.665 33.769 1.00 0.00 H +ATOM 10080 H2 TIP3A3360 15.167 51.539 34.358 1.00 0.00 H +ATOM 10081 O1 TIP3A3361 10.478 2.502 28.987 1.00 0.00 O +ATOM 10082 H1 TIP3A3361 9.872 3.243 29.016 1.00 0.00 H +ATOM 10083 H2 TIP3A3361 10.082 1.893 28.364 1.00 0.00 H +ATOM 10084 O1 TIP3A3362 50.128 8.698 15.231 1.00 0.00 O +ATOM 10085 H1 TIP3A3362 49.364 9.014 14.750 1.00 0.00 H +ATOM 10086 H2 TIP3A3362 50.649 8.234 14.575 1.00 0.00 H +ATOM 10087 O1 TIP3A3363 30.050 18.388 33.887 1.00 0.00 O +ATOM 10088 H1 TIP3A3363 30.315 19.092 34.477 1.00 0.00 H +ATOM 10089 H2 TIP3A3363 29.882 18.824 33.051 1.00 0.00 H +ATOM 10090 O1 TIP3A3364 41.590 14.668 37.073 1.00 0.00 O +ATOM 10091 H1 TIP3A3364 40.646 14.814 37.023 1.00 0.00 H +ATOM 10092 H2 TIP3A3364 41.976 15.504 36.808 1.00 0.00 H +ATOM 10093 O1 TIP3A3365 1.843 51.748 35.431 1.00 0.00 O +ATOM 10094 H1 TIP3A3365 1.487 50.940 35.063 1.00 0.00 H +ATOM 10095 H2 TIP3A3365 2.793 51.640 35.372 1.00 0.00 H +ATOM 10096 O1 TIP3A3366 48.348 44.102 37.837 1.00 0.00 O +ATOM 10097 H1 TIP3A3366 47.595 43.603 38.150 1.00 0.00 H +ATOM 10098 H2 TIP3A3366 48.915 43.449 37.426 1.00 0.00 H +ATOM 10099 O1 TIP3A3367 45.371 8.629 15.990 1.00 0.00 O +ATOM 10100 H1 TIP3A3367 44.490 8.306 16.176 1.00 0.00 H +ATOM 10101 H2 TIP3A3367 45.331 8.923 15.079 1.00 0.00 H +ATOM 10102 O1 TIP3A3368 1.178 58.001 25.872 1.00 0.00 O +ATOM 10103 H1 TIP3A3368 1.856 57.341 25.730 1.00 0.00 H +ATOM 10104 H2 TIP3A3368 0.357 57.545 25.687 1.00 0.00 H +ATOM 10105 O1 TIP3A3369 15.791 11.767 57.840 1.00 0.00 O +ATOM 10106 H1 TIP3A3369 15.664 11.775 56.892 1.00 0.00 H +ATOM 10107 H2 TIP3A3369 16.453 12.440 58.000 1.00 0.00 H +ATOM 10108 O1 TIP3A3370 24.835 37.423 12.155 1.00 0.00 O +ATOM 10109 H1 TIP3A3370 24.076 37.659 11.622 1.00 0.00 H +ATOM 10110 H2 TIP3A3370 25.046 36.528 11.890 1.00 0.00 H +ATOM 10111 O1 TIP3A3371 46.970 28.346 25.647 1.00 0.00 O +ATOM 10112 H1 TIP3A3371 47.429 27.508 25.675 1.00 0.00 H +ATOM 10113 H2 TIP3A3371 47.436 28.896 26.278 1.00 0.00 H +ATOM 10114 O1 TIP3A3372 13.393 35.808 51.091 1.00 0.00 O +ATOM 10115 H1 TIP3A3372 13.597 35.823 50.157 1.00 0.00 H +ATOM 10116 H2 TIP3A3372 12.992 34.950 51.236 1.00 0.00 H +ATOM 10117 O1 TIP3A3373 1.549 20.763 6.815 1.00 0.00 O +ATOM 10118 H1 TIP3A3373 2.439 21.104 6.901 1.00 0.00 H +ATOM 10119 H2 TIP3A3373 1.662 19.892 6.433 1.00 0.00 H +ATOM 10120 O1 TIP3A3374 4.597 23.416 38.658 1.00 0.00 O +ATOM 10121 H1 TIP3A3374 4.091 22.646 38.914 1.00 0.00 H +ATOM 10122 H2 TIP3A3374 4.118 23.782 37.914 1.00 0.00 H +ATOM 10123 O1 TIP3A3375 49.470 32.311 5.227 1.00 0.00 O +ATOM 10124 H1 TIP3A3375 49.860 31.437 5.223 1.00 0.00 H +ATOM 10125 H2 TIP3A3375 48.771 32.265 4.574 1.00 0.00 H +ATOM 10126 O1 TIP3A3376 53.925 30.157 15.286 1.00 0.00 O +ATOM 10127 H1 TIP3A3376 53.963 30.680 14.486 1.00 0.00 H +ATOM 10128 H2 TIP3A3376 53.377 30.668 15.882 1.00 0.00 H +ATOM 10129 O1 TIP3A3377 55.833 39.619 48.405 1.00 0.00 O +ATOM 10130 H1 TIP3A3377 55.071 40.192 48.327 1.00 0.00 H +ATOM 10131 H2 TIP3A3377 55.544 38.912 48.984 1.00 0.00 H +ATOM 10132 O1 TIP3A3378 12.604 38.051 19.353 1.00 0.00 O +ATOM 10133 H1 TIP3A3378 12.857 37.226 19.767 1.00 0.00 H +ATOM 10134 H2 TIP3A3378 13.431 38.511 19.209 1.00 0.00 H +ATOM 10135 O1 TIP3A3379 24.998 28.315 25.253 1.00 0.00 O +ATOM 10136 H1 TIP3A3379 24.505 29.132 25.190 1.00 0.00 H +ATOM 10137 H2 TIP3A3379 25.693 28.403 24.600 1.00 0.00 H +ATOM 10138 O1 TIP3A3380 9.721 16.373 53.977 1.00 0.00 O +ATOM 10139 H1 TIP3A3380 9.631 15.491 54.335 1.00 0.00 H +ATOM 10140 H2 TIP3A3380 10.571 16.677 54.297 1.00 0.00 H +ATOM 10141 O1 TIP3A3381 54.133 34.701 46.394 1.00 0.00 O +ATOM 10142 H1 TIP3A3381 54.465 33.817 46.244 1.00 0.00 H +ATOM 10143 H2 TIP3A3381 54.828 35.139 46.886 1.00 0.00 H +ATOM 10144 O1 TIP3A3382 2.056 27.364 51.323 1.00 0.00 O +ATOM 10145 H1 TIP3A3382 2.515 26.668 50.854 1.00 0.00 H +ATOM 10146 H2 TIP3A3382 2.012 27.055 52.229 1.00 0.00 H +ATOM 10147 O1 TIP3A3383 57.424 22.229 36.722 1.00 0.00 O +ATOM 10148 H1 TIP3A3383 56.588 21.860 36.439 1.00 0.00 H +ATOM 10149 H2 TIP3A3383 57.853 22.503 35.911 1.00 0.00 H +ATOM 10150 O1 TIP3A3384 25.897 9.017 50.345 1.00 0.00 O +ATOM 10151 H1 TIP3A3384 25.829 9.881 50.749 1.00 0.00 H +ATOM 10152 H2 TIP3A3384 26.314 8.472 51.013 1.00 0.00 H +ATOM 10153 O1 TIP3A3385 48.182 45.978 21.442 1.00 0.00 O +ATOM 10154 H1 TIP3A3385 47.736 46.748 21.090 1.00 0.00 H +ATOM 10155 H2 TIP3A3385 48.757 46.325 22.124 1.00 0.00 H +ATOM 10156 O1 TIP3A3386 52.965 26.066 57.786 1.00 0.00 O +ATOM 10157 H1 TIP3A3386 53.437 25.264 58.009 1.00 0.00 H +ATOM 10158 H2 TIP3A3386 52.053 25.878 58.007 1.00 0.00 H +ATOM 10159 O1 TIP3A3387 50.901 32.814 49.773 1.00 0.00 O +ATOM 10160 H1 TIP3A3387 50.274 32.166 50.092 1.00 0.00 H +ATOM 10161 H2 TIP3A3387 50.444 33.259 49.058 1.00 0.00 H +ATOM 10162 O1 TIP3A3388 30.913 0.660 23.300 1.00 0.00 O +ATOM 10163 H1 TIP3A3388 31.388 1.280 23.852 1.00 0.00 H +ATOM 10164 H2 TIP3A3388 30.582 -0.000 23.909 1.00 0.00 H +ATOM 10165 O1 TIP3A3389 6.676 9.567 51.758 1.00 0.00 O +ATOM 10166 H1 TIP3A3389 7.256 9.179 52.413 1.00 0.00 H +ATOM 10167 H2 TIP3A3389 6.377 8.824 51.233 1.00 0.00 H +ATOM 10168 O1 TIP3A3390 26.718 3.204 1.999 1.00 0.00 O +ATOM 10169 H1 TIP3A3390 26.775 2.370 2.464 1.00 0.00 H +ATOM 10170 H2 TIP3A3390 26.435 2.967 1.115 1.00 0.00 H +ATOM 10171 O1 TIP3A3391 25.131 32.041 41.837 1.00 0.00 O +ATOM 10172 H1 TIP3A3391 25.079 32.950 42.130 1.00 0.00 H +ATOM 10173 H2 TIP3A3391 24.657 31.546 42.506 1.00 0.00 H +ATOM 10174 O1 TIP3A3392 14.852 51.923 55.063 1.00 0.00 O +ATOM 10175 H1 TIP3A3392 15.176 51.140 54.621 1.00 0.00 H +ATOM 10176 H2 TIP3A3392 15.554 52.166 55.667 1.00 0.00 H +ATOM 10177 O1 TIP3A3393 3.566 24.481 52.092 1.00 0.00 O +ATOM 10178 H1 TIP3A3393 4.004 23.631 52.067 1.00 0.00 H +ATOM 10179 H2 TIP3A3393 2.783 24.364 51.553 1.00 0.00 H +ATOM 10180 O1 TIP3A3394 51.800 53.251 30.619 1.00 0.00 O +ATOM 10181 H1 TIP3A3394 52.080 52.917 31.470 1.00 0.00 H +ATOM 10182 H2 TIP3A3394 50.857 53.389 30.713 1.00 0.00 H +ATOM 10183 O1 TIP3A3395 20.869 13.116 25.999 1.00 0.00 O +ATOM 10184 H1 TIP3A3395 21.408 12.587 25.411 1.00 0.00 H +ATOM 10185 H2 TIP3A3395 20.042 13.229 25.530 1.00 0.00 H +ATOM 10186 O1 TIP3A3396 7.407 8.154 21.973 1.00 0.00 O +ATOM 10187 H1 TIP3A3396 7.857 8.251 22.812 1.00 0.00 H +ATOM 10188 H2 TIP3A3396 8.058 7.754 21.396 1.00 0.00 H +ATOM 10189 O1 TIP3A3397 24.550 36.104 4.854 1.00 0.00 O +ATOM 10190 H1 TIP3A3397 23.721 35.918 5.293 1.00 0.00 H +ATOM 10191 H2 TIP3A3397 24.624 35.425 4.182 1.00 0.00 H +ATOM 10192 O1 TIP3A3398 54.118 23.856 3.826 1.00 0.00 O +ATOM 10193 H1 TIP3A3398 54.767 24.147 3.186 1.00 0.00 H +ATOM 10194 H2 TIP3A3398 54.223 24.457 4.565 1.00 0.00 H +ATOM 10195 O1 TIP3A3399 12.860 30.110 23.628 1.00 0.00 O +ATOM 10196 H1 TIP3A3399 13.449 29.360 23.704 1.00 0.00 H +ATOM 10197 H2 TIP3A3399 12.220 29.847 22.966 1.00 0.00 H +ATOM 10198 O1 TIP3A3400 56.980 36.531 18.197 1.00 0.00 O +ATOM 10199 H1 TIP3A3400 56.760 35.731 17.720 1.00 0.00 H +ATOM 10200 H2 TIP3A3400 57.884 36.399 18.485 1.00 0.00 H +ATOM 10201 O1 TIP3A3401 50.633 1.606 19.666 1.00 0.00 O +ATOM 10202 H1 TIP3A3401 50.094 1.311 20.398 1.00 0.00 H +ATOM 10203 H2 TIP3A3401 51.369 0.994 19.647 1.00 0.00 H +ATOM 10204 O1 TIP3A3402 23.741 30.218 15.381 1.00 0.00 O +ATOM 10205 H1 TIP3A3402 23.861 31.160 15.261 1.00 0.00 H +ATOM 10206 H2 TIP3A3402 22.806 30.074 15.232 1.00 0.00 H +ATOM 10207 O1 TIP3A3403 49.302 17.452 53.314 1.00 0.00 O +ATOM 10208 H1 TIP3A3403 48.382 17.591 53.538 1.00 0.00 H +ATOM 10209 H2 TIP3A3403 49.319 17.454 52.357 1.00 0.00 H +ATOM 10210 O1 TIP3A3404 43.973 45.429 27.545 1.00 0.00 O +ATOM 10211 H1 TIP3A3404 44.869 45.471 27.877 1.00 0.00 H +ATOM 10212 H2 TIP3A3404 43.424 45.616 28.308 1.00 0.00 H +ATOM 10213 O1 TIP3A3405 49.399 14.236 48.463 1.00 0.00 O +ATOM 10214 H1 TIP3A3405 49.268 14.892 49.147 1.00 0.00 H +ATOM 10215 H2 TIP3A3405 49.818 14.716 47.747 1.00 0.00 H +ATOM 10216 O1 TIP3A3406 45.049 33.466 47.873 1.00 0.00 O +ATOM 10217 H1 TIP3A3406 45.154 34.385 48.115 1.00 0.00 H +ATOM 10218 H2 TIP3A3406 44.626 33.063 48.632 1.00 0.00 H +ATOM 10219 O1 TIP3A3407 2.939 29.174 17.947 1.00 0.00 O +ATOM 10220 H1 TIP3A3407 3.048 28.383 17.420 1.00 0.00 H +ATOM 10221 H2 TIP3A3407 3.393 28.981 18.768 1.00 0.00 H +ATOM 10222 O1 TIP3A3408 52.120 54.682 17.219 1.00 0.00 O +ATOM 10223 H1 TIP3A3408 51.931 55.099 16.380 1.00 0.00 H +ATOM 10224 H2 TIP3A3408 51.285 54.298 17.490 1.00 0.00 H +ATOM 10225 O1 TIP3A3409 23.198 50.408 51.243 1.00 0.00 O +ATOM 10226 H1 TIP3A3409 24.144 50.273 51.287 1.00 0.00 H +ATOM 10227 H2 TIP3A3409 23.082 51.076 50.567 1.00 0.00 H +ATOM 10228 O1 TIP3A3410 54.587 40.930 52.438 1.00 0.00 O +ATOM 10229 H1 TIP3A3410 54.924 40.111 52.076 1.00 0.00 H +ATOM 10230 H2 TIP3A3410 55.067 41.046 53.258 1.00 0.00 H +ATOM 10231 O1 TIP3A3411 29.072 45.622 31.101 1.00 0.00 O +ATOM 10232 H1 TIP3A3411 28.703 44.743 31.024 1.00 0.00 H +ATOM 10233 H2 TIP3A3411 28.778 46.076 30.311 1.00 0.00 H +ATOM 10234 O1 TIP3A3412 36.092 35.333 30.484 1.00 0.00 O +ATOM 10235 H1 TIP3A3412 35.651 36.108 30.138 1.00 0.00 H +ATOM 10236 H2 TIP3A3412 35.680 34.598 30.029 1.00 0.00 H +ATOM 10237 O1 TIP3A3413 18.329 51.948 33.815 1.00 0.00 O +ATOM 10238 H1 TIP3A3413 17.983 51.421 33.095 1.00 0.00 H +ATOM 10239 H2 TIP3A3413 18.162 51.424 34.599 1.00 0.00 H +ATOM 10240 O1 TIP3A3414 20.861 28.133 36.049 1.00 0.00 O +ATOM 10241 H1 TIP3A3414 21.065 27.204 35.950 1.00 0.00 H +ATOM 10242 H2 TIP3A3414 21.294 28.389 36.864 1.00 0.00 H +ATOM 10243 O1 TIP3A3415 50.768 25.192 8.570 1.00 0.00 O +ATOM 10244 H1 TIP3A3415 49.840 25.138 8.346 1.00 0.00 H +ATOM 10245 H2 TIP3A3415 51.207 24.665 7.901 1.00 0.00 H +ATOM 10246 O1 TIP3A3416 28.271 10.976 33.969 1.00 0.00 O +ATOM 10247 H1 TIP3A3416 28.294 11.890 34.251 1.00 0.00 H +ATOM 10248 H2 TIP3A3416 28.814 10.955 33.180 1.00 0.00 H +ATOM 10249 O1 TIP3A3417 54.997 44.833 53.274 1.00 0.00 O +ATOM 10250 H1 TIP3A3417 54.268 44.216 53.213 1.00 0.00 H +ATOM 10251 H2 TIP3A3417 55.671 44.360 53.762 1.00 0.00 H +ATOM 10252 O1 TIP3A3418 43.011 19.852 29.055 1.00 0.00 O +ATOM 10253 H1 TIP3A3418 42.827 20.752 28.788 1.00 0.00 H +ATOM 10254 H2 TIP3A3418 42.326 19.646 29.693 1.00 0.00 H +ATOM 10255 O1 TIP3A3419 36.639 44.151 5.513 1.00 0.00 O +ATOM 10256 H1 TIP3A3419 35.966 44.814 5.665 1.00 0.00 H +ATOM 10257 H2 TIP3A3419 37.353 44.626 5.086 1.00 0.00 H +ATOM 10258 O1 TIP3A3420 15.070 37.972 17.173 1.00 0.00 O +ATOM 10259 H1 TIP3A3420 14.401 38.096 16.500 1.00 0.00 H +ATOM 10260 H2 TIP3A3420 15.728 37.413 16.758 1.00 0.00 H +ATOM 10261 O1 TIP3A3421 15.435 50.404 3.190 1.00 0.00 O +ATOM 10262 H1 TIP3A3421 15.851 49.543 3.191 1.00 0.00 H +ATOM 10263 H2 TIP3A3421 15.077 50.498 2.306 1.00 0.00 H +ATOM 10264 O1 TIP3A3422 36.134 9.516 29.744 1.00 0.00 O +ATOM 10265 H1 TIP3A3422 35.339 9.360 30.253 1.00 0.00 H +ATOM 10266 H2 TIP3A3422 36.367 10.425 29.937 1.00 0.00 H +ATOM 10267 O1 TIP3A3423 9.815 8.408 44.603 1.00 0.00 O +ATOM 10268 H1 TIP3A3423 10.420 9.148 44.638 1.00 0.00 H +ATOM 10269 H2 TIP3A3423 9.703 8.234 43.668 1.00 0.00 H +ATOM 10270 O1 TIP3A3424 28.955 51.277 33.525 1.00 0.00 O +ATOM 10271 H1 TIP3A3424 28.368 51.096 34.259 1.00 0.00 H +ATOM 10272 H2 TIP3A3424 28.958 50.466 33.015 1.00 0.00 H +ATOM 10273 O1 TIP3A3425 43.062 45.675 47.988 1.00 0.00 O +ATOM 10274 H1 TIP3A3425 43.931 45.296 47.860 1.00 0.00 H +ATOM 10275 H2 TIP3A3425 42.542 45.336 47.259 1.00 0.00 H +ATOM 10276 O1 TIP3A3426 42.518 0.165 49.670 1.00 0.00 O +ATOM 10277 H1 TIP3A3426 41.851 0.847 49.599 1.00 0.00 H +ATOM 10278 H2 TIP3A3426 43.186 0.414 49.030 1.00 0.00 H +ATOM 10279 O1 TIP3A3427 36.239 16.622 32.294 1.00 0.00 O +ATOM 10280 H1 TIP3A3427 36.064 15.681 32.303 1.00 0.00 H +ATOM 10281 H2 TIP3A3427 36.089 16.886 31.386 1.00 0.00 H +ATOM 10282 O1 TIP3A3428 16.239 47.073 13.889 1.00 0.00 O +ATOM 10283 H1 TIP3A3428 16.535 47.978 13.803 1.00 0.00 H +ATOM 10284 H2 TIP3A3428 16.580 46.633 13.109 1.00 0.00 H +ATOM 10285 O1 TIP3A3429 26.395 10.087 21.596 1.00 0.00 O +ATOM 10286 H1 TIP3A3429 25.757 9.836 20.929 1.00 0.00 H +ATOM 10287 H2 TIP3A3429 25.985 10.819 22.058 1.00 0.00 H +ATOM 10288 O1 TIP3A3430 18.106 35.745 37.445 1.00 0.00 O +ATOM 10289 H1 TIP3A3430 17.846 35.063 38.063 1.00 0.00 H +ATOM 10290 H2 TIP3A3430 18.775 35.332 36.899 1.00 0.00 H +ATOM 10291 O1 TIP3A3431 11.286 40.906 15.143 1.00 0.00 O +ATOM 10292 H1 TIP3A3431 11.615 40.009 15.092 1.00 0.00 H +ATOM 10293 H2 TIP3A3431 10.629 40.960 14.448 1.00 0.00 H +ATOM 10294 O1 TIP3A3432 49.772 49.365 31.265 1.00 0.00 O +ATOM 10295 H1 TIP3A3432 50.192 50.173 31.557 1.00 0.00 H +ATOM 10296 H2 TIP3A3432 50.478 48.860 30.861 1.00 0.00 H +ATOM 10297 O1 TIP3A3433 0.655 50.244 31.464 1.00 0.00 O +ATOM 10298 H1 TIP3A3433 0.741 51.194 31.532 1.00 0.00 H +ATOM 10299 H2 TIP3A3433 -0.021 50.017 32.104 1.00 0.00 H +ATOM 10300 O1 TIP3A3434 26.915 14.350 53.746 1.00 0.00 O +ATOM 10301 H1 TIP3A3434 27.702 13.899 54.051 1.00 0.00 H +ATOM 10302 H2 TIP3A3434 27.132 15.281 53.810 1.00 0.00 H +ATOM 10303 O1 TIP3A3435 45.864 24.717 27.550 1.00 0.00 O +ATOM 10304 H1 TIP3A3435 45.734 25.658 27.662 1.00 0.00 H +ATOM 10305 H2 TIP3A3435 45.557 24.333 28.371 1.00 0.00 H +ATOM 10306 O1 TIP3A3436 10.435 14.337 2.791 1.00 0.00 O +ATOM 10307 H1 TIP3A3436 10.979 13.815 2.202 1.00 0.00 H +ATOM 10308 H2 TIP3A3436 10.825 15.212 2.765 1.00 0.00 H +ATOM 10309 O1 TIP3A3437 39.809 10.157 52.057 1.00 0.00 O +ATOM 10310 H1 TIP3A3437 40.330 10.956 52.132 1.00 0.00 H +ATOM 10311 H2 TIP3A3437 39.051 10.312 52.622 1.00 0.00 H +ATOM 10312 O1 TIP3A3438 20.920 49.206 50.850 1.00 0.00 O +ATOM 10313 H1 TIP3A3438 19.995 48.989 50.740 1.00 0.00 H +ATOM 10314 H2 TIP3A3438 21.273 49.208 49.960 1.00 0.00 H +ATOM 10315 O1 TIP3A3439 3.045 51.730 38.102 1.00 0.00 O +ATOM 10316 H1 TIP3A3439 3.773 52.348 38.053 1.00 0.00 H +ATOM 10317 H2 TIP3A3439 2.478 52.080 38.790 1.00 0.00 H +ATOM 10318 O1 TIP3A3440 54.648 13.278 47.744 1.00 0.00 O +ATOM 10319 H1 TIP3A3440 53.775 13.458 48.093 1.00 0.00 H +ATOM 10320 H2 TIP3A3440 54.729 13.860 46.988 1.00 0.00 H +ATOM 10321 O1 TIP3A3441 23.544 6.889 34.768 1.00 0.00 O +ATOM 10322 H1 TIP3A3441 23.026 7.559 34.323 1.00 0.00 H +ATOM 10323 H2 TIP3A3441 24.444 7.057 34.488 1.00 0.00 H +ATOM 10324 O1 TIP3A3442 2.542 37.395 5.913 1.00 0.00 O +ATOM 10325 H1 TIP3A3442 3.005 36.740 6.435 1.00 0.00 H +ATOM 10326 H2 TIP3A3442 2.971 38.223 6.132 1.00 0.00 H +ATOM 10327 O1 TIP3A3443 48.885 47.755 0.568 1.00 0.00 O +ATOM 10328 H1 TIP3A3443 49.208 48.652 0.486 1.00 0.00 H +ATOM 10329 H2 TIP3A3443 48.085 47.738 0.043 1.00 0.00 H +ATOM 10330 O1 TIP3A3444 45.915 44.098 32.632 1.00 0.00 O +ATOM 10331 H1 TIP3A3444 45.483 43.282 32.885 1.00 0.00 H +ATOM 10332 H2 TIP3A3444 45.294 44.784 32.878 1.00 0.00 H +ATOM 10333 O1 TIP3A3445 2.848 2.555 14.262 1.00 0.00 O +ATOM 10334 H1 TIP3A3445 2.320 2.128 14.937 1.00 0.00 H +ATOM 10335 H2 TIP3A3445 2.227 2.752 13.561 1.00 0.00 H +ATOM 10336 O1 TIP3A3446 38.874 54.807 12.499 1.00 0.00 O +ATOM 10337 H1 TIP3A3446 37.943 54.967 12.648 1.00 0.00 H +ATOM 10338 H2 TIP3A3446 39.166 55.553 11.975 1.00 0.00 H +ATOM 10339 O1 TIP3A3447 23.297 48.453 29.694 1.00 0.00 O +ATOM 10340 H1 TIP3A3447 23.940 47.747 29.626 1.00 0.00 H +ATOM 10341 H2 TIP3A3447 23.788 49.246 29.479 1.00 0.00 H +ATOM 10342 O1 TIP3A3448 36.308 16.347 5.815 1.00 0.00 O +ATOM 10343 H1 TIP3A3448 35.569 15.906 5.398 1.00 0.00 H +ATOM 10344 H2 TIP3A3448 36.749 15.658 6.313 1.00 0.00 H +ATOM 10345 O1 TIP3A3449 12.301 57.059 21.787 1.00 0.00 O +ATOM 10346 H1 TIP3A3449 11.620 57.145 21.121 1.00 0.00 H +ATOM 10347 H2 TIP3A3449 12.248 56.145 22.068 1.00 0.00 H +ATOM 10348 O1 TIP3A3450 11.709 4.446 36.961 1.00 0.00 O +ATOM 10349 H1 TIP3A3450 11.335 3.779 36.387 1.00 0.00 H +ATOM 10350 H2 TIP3A3450 11.511 5.276 36.526 1.00 0.00 H +ATOM 10351 O1 TIP3A3451 31.574 28.402 30.784 1.00 0.00 O +ATOM 10352 H1 TIP3A3451 31.490 29.355 30.769 1.00 0.00 H +ATOM 10353 H2 TIP3A3451 32.251 28.210 30.134 1.00 0.00 H +ATOM 10354 O1 TIP3A3452 56.208 51.455 40.926 1.00 0.00 O +ATOM 10355 H1 TIP3A3452 55.447 50.875 40.949 1.00 0.00 H +ATOM 10356 H2 TIP3A3452 56.748 51.172 41.665 1.00 0.00 H +ATOM 10357 O1 TIP3A3453 51.536 22.095 1.197 1.00 0.00 O +ATOM 10358 H1 TIP3A3453 50.846 22.753 1.279 1.00 0.00 H +ATOM 10359 H2 TIP3A3453 51.580 21.684 2.061 1.00 0.00 H +ATOM 10360 O1 TIP3A3454 28.912 41.393 40.499 1.00 0.00 O +ATOM 10361 H1 TIP3A3454 29.532 41.438 41.226 1.00 0.00 H +ATOM 10362 H2 TIP3A3454 28.715 40.460 40.410 1.00 0.00 H +ATOM 10363 O1 TIP3A3455 7.772 27.524 7.610 1.00 0.00 O +ATOM 10364 H1 TIP3A3455 7.333 26.776 8.013 1.00 0.00 H +ATOM 10365 H2 TIP3A3455 7.122 28.226 7.634 1.00 0.00 H +ATOM 10366 O1 TIP3A3456 8.597 12.009 31.627 1.00 0.00 O +ATOM 10367 H1 TIP3A3456 7.984 12.193 30.916 1.00 0.00 H +ATOM 10368 H2 TIP3A3456 9.308 11.522 31.210 1.00 0.00 H +ATOM 10369 O1 TIP3A3457 18.902 3.586 1.638 1.00 0.00 O +ATOM 10370 H1 TIP3A3457 19.244 2.732 1.900 1.00 0.00 H +ATOM 10371 H2 TIP3A3457 17.955 3.511 1.753 1.00 0.00 H +ATOM 10372 O1 TIP3A3458 47.591 45.413 52.562 1.00 0.00 O +ATOM 10373 H1 TIP3A3458 47.598 44.561 52.996 1.00 0.00 H +ATOM 10374 H2 TIP3A3458 46.787 45.411 52.042 1.00 0.00 H +ATOM 10375 O1 TIP3A3459 23.579 48.974 54.860 1.00 0.00 O +ATOM 10376 H1 TIP3A3459 23.686 48.143 55.321 1.00 0.00 H +ATOM 10377 H2 TIP3A3459 23.134 48.741 54.045 1.00 0.00 H +ATOM 10378 O1 TIP3A3460 35.421 19.831 53.399 1.00 0.00 O +ATOM 10379 H1 TIP3A3460 35.904 19.903 52.577 1.00 0.00 H +ATOM 10380 H2 TIP3A3460 34.502 19.925 53.146 1.00 0.00 H +ATOM 10381 O1 TIP3A3461 27.191 12.969 28.112 1.00 0.00 O +ATOM 10382 H1 TIP3A3461 27.366 13.208 29.022 1.00 0.00 H +ATOM 10383 H2 TIP3A3461 26.501 13.572 27.834 1.00 0.00 H +ATOM 10384 O1 TIP3A3462 12.744 31.039 0.244 1.00 0.00 O +ATOM 10385 H1 TIP3A3462 12.755 31.995 0.288 1.00 0.00 H +ATOM 10386 H2 TIP3A3462 13.637 30.800 -0.005 1.00 0.00 H +ATOM 10387 O1 TIP3A3463 38.191 46.399 43.085 1.00 0.00 O +ATOM 10388 H1 TIP3A3463 38.110 45.446 43.050 1.00 0.00 H +ATOM 10389 H2 TIP3A3463 37.560 46.718 42.439 1.00 0.00 H +ATOM 10390 O1 TIP3A3464 8.484 57.400 25.945 1.00 0.00 O +ATOM 10391 H1 TIP3A3464 8.053 58.005 26.548 1.00 0.00 H +ATOM 10392 H2 TIP3A3464 9.381 57.729 25.874 1.00 0.00 H +ATOM 10393 O1 TIP3A3465 51.375 50.378 39.833 1.00 0.00 O +ATOM 10394 H1 TIP3A3465 51.267 51.201 40.308 1.00 0.00 H +ATOM 10395 H2 TIP3A3465 52.142 50.521 39.277 1.00 0.00 H +ATOM 10396 O1 TIP3A3466 51.809 55.214 0.492 1.00 0.00 O +ATOM 10397 H1 TIP3A3466 51.919 54.405 -0.007 1.00 0.00 H +ATOM 10398 H2 TIP3A3466 50.917 55.500 0.293 1.00 0.00 H +ATOM 10399 O1 TIP3A3467 23.377 27.330 16.448 1.00 0.00 O +ATOM 10400 H1 TIP3A3467 23.393 28.283 16.367 1.00 0.00 H +ATOM 10401 H2 TIP3A3467 24.085 27.029 15.877 1.00 0.00 H +ATOM 10402 O1 TIP3A3468 49.016 44.682 1.277 1.00 0.00 O +ATOM 10403 H1 TIP3A3468 49.961 44.668 1.428 1.00 0.00 H +ATOM 10404 H2 TIP3A3468 48.921 44.992 0.376 1.00 0.00 H +ATOM 10405 O1 TIP3A3469 29.561 47.193 13.581 1.00 0.00 O +ATOM 10406 H1 TIP3A3469 29.943 46.572 14.201 1.00 0.00 H +ATOM 10407 H2 TIP3A3469 30.314 47.656 13.211 1.00 0.00 H +ATOM 10408 O1 TIP3A3470 26.313 39.992 12.623 1.00 0.00 O +ATOM 10409 H1 TIP3A3470 26.566 40.242 11.735 1.00 0.00 H +ATOM 10410 H2 TIP3A3470 25.505 39.490 12.510 1.00 0.00 H +ATOM 10411 O1 TIP3A3471 47.155 2.489 28.707 1.00 0.00 O +ATOM 10412 H1 TIP3A3471 47.265 1.657 29.167 1.00 0.00 H +ATOM 10413 H2 TIP3A3471 47.523 3.143 29.302 1.00 0.00 H +ATOM 10414 O1 TIP3A3472 54.073 16.814 12.984 1.00 0.00 O +ATOM 10415 H1 TIP3A3472 53.966 17.764 12.946 1.00 0.00 H +ATOM 10416 H2 TIP3A3472 53.179 16.471 12.964 1.00 0.00 H +ATOM 10417 O1 TIP3A3473 42.643 27.808 15.034 1.00 0.00 O +ATOM 10418 H1 TIP3A3473 42.274 27.130 15.600 1.00 0.00 H +ATOM 10419 H2 TIP3A3473 43.220 27.332 14.436 1.00 0.00 H +ATOM 10420 O1 TIP3A3474 54.305 12.570 3.592 1.00 0.00 O +ATOM 10421 H1 TIP3A3474 53.416 12.924 3.559 1.00 0.00 H +ATOM 10422 H2 TIP3A3474 54.796 13.096 2.960 1.00 0.00 H +ATOM 10423 O1 TIP3A3475 47.099 50.033 48.259 1.00 0.00 O +ATOM 10424 H1 TIP3A3475 47.430 50.330 47.412 1.00 0.00 H +ATOM 10425 H2 TIP3A3475 46.578 50.768 48.584 1.00 0.00 H +ATOM 10426 O1 TIP3A3476 8.186 0.465 47.144 1.00 0.00 O +ATOM 10427 H1 TIP3A3476 8.994 -0.000 47.359 1.00 0.00 H +ATOM 10428 H2 TIP3A3476 8.167 1.206 47.750 1.00 0.00 H +ATOM 10429 O1 TIP3A3477 4.208 48.848 53.376 1.00 0.00 O +ATOM 10430 H1 TIP3A3477 3.816 49.210 52.583 1.00 0.00 H +ATOM 10431 H2 TIP3A3477 5.063 49.275 53.438 1.00 0.00 H +ATOM 10432 O1 TIP3A3478 25.850 54.951 16.993 1.00 0.00 O +ATOM 10433 H1 TIP3A3478 26.680 54.507 17.164 1.00 0.00 H +ATOM 10434 H2 TIP3A3478 25.387 54.371 16.388 1.00 0.00 H +ATOM 10435 O1 TIP3A3479 11.036 5.031 9.143 1.00 0.00 O +ATOM 10436 H1 TIP3A3479 10.977 5.321 10.052 1.00 0.00 H +ATOM 10437 H2 TIP3A3479 10.144 4.765 8.917 1.00 0.00 H +ATOM 10438 O1 TIP3A3480 12.884 21.361 39.982 1.00 0.00 O +ATOM 10439 H1 TIP3A3480 13.313 22.205 39.846 1.00 0.00 H +ATOM 10440 H2 TIP3A3480 13.049 21.153 40.902 1.00 0.00 H +ATOM 10441 O1 TIP3A3481 30.947 51.147 25.616 1.00 0.00 O +ATOM 10442 H1 TIP3A3481 31.532 51.772 25.190 1.00 0.00 H +ATOM 10443 H2 TIP3A3481 30.066 51.465 25.415 1.00 0.00 H +ATOM 10444 O1 TIP3A3482 50.398 49.998 11.081 1.00 0.00 O +ATOM 10445 H1 TIP3A3482 49.718 49.404 11.399 1.00 0.00 H +ATOM 10446 H2 TIP3A3482 51.221 49.575 11.329 1.00 0.00 H +ATOM 10447 O1 TIP3A3483 37.264 15.384 26.569 1.00 0.00 O +ATOM 10448 H1 TIP3A3483 37.914 15.026 25.965 1.00 0.00 H +ATOM 10449 H2 TIP3A3483 36.436 15.329 26.090 1.00 0.00 H +ATOM 10450 O1 TIP3A3484 1.129 38.423 14.203 1.00 0.00 O +ATOM 10451 H1 TIP3A3484 1.505 38.227 13.346 1.00 0.00 H +ATOM 10452 H2 TIP3A3484 1.870 38.729 14.727 1.00 0.00 H +ATOM 10453 O1 TIP3A3485 44.690 5.965 17.123 1.00 0.00 O +ATOM 10454 H1 TIP3A3485 45.419 6.582 17.173 1.00 0.00 H +ATOM 10455 H2 TIP3A3485 44.027 6.328 17.711 1.00 0.00 H +ATOM 10456 O1 TIP3A3486 48.894 20.646 16.476 1.00 0.00 O +ATOM 10457 H1 TIP3A3486 48.949 21.591 16.615 1.00 0.00 H +ATOM 10458 H2 TIP3A3486 48.247 20.543 15.777 1.00 0.00 H +ATOM 10459 O1 TIP3A3487 38.217 53.349 55.536 1.00 0.00 O +ATOM 10460 H1 TIP3A3487 38.078 52.603 56.118 1.00 0.00 H +ATOM 10461 H2 TIP3A3487 37.631 53.188 54.796 1.00 0.00 H +ATOM 10462 O1 TIP3A3488 16.127 11.094 2.427 1.00 0.00 O +ATOM 10463 H1 TIP3A3488 15.197 10.903 2.542 1.00 0.00 H +ATOM 10464 H2 TIP3A3488 16.577 10.396 2.905 1.00 0.00 H +ATOM 10465 O1 TIP3A3489 29.521 42.041 13.523 1.00 0.00 O +ATOM 10466 H1 TIP3A3489 28.833 42.265 12.897 1.00 0.00 H +ATOM 10467 H2 TIP3A3489 29.946 42.876 13.722 1.00 0.00 H +ATOM 10468 O1 TIP3A3490 32.315 39.851 11.823 1.00 0.00 O +ATOM 10469 H1 TIP3A3490 31.905 40.413 11.165 1.00 0.00 H +ATOM 10470 H2 TIP3A3490 32.572 39.065 11.341 1.00 0.00 H +ATOM 10471 O1 TIP3A3491 48.382 50.289 39.382 1.00 0.00 O +ATOM 10472 H1 TIP3A3491 48.473 49.359 39.177 1.00 0.00 H +ATOM 10473 H2 TIP3A3491 49.103 50.710 38.913 1.00 0.00 H +ATOM 10474 O1 TIP3A3492 17.999 19.075 16.696 1.00 0.00 O +ATOM 10475 H1 TIP3A3492 18.867 18.941 16.317 1.00 0.00 H +ATOM 10476 H2 TIP3A3492 17.490 19.481 15.994 1.00 0.00 H +ATOM 10477 O1 TIP3A3493 47.835 5.105 44.165 1.00 0.00 O +ATOM 10478 H1 TIP3A3493 47.765 5.516 45.026 1.00 0.00 H +ATOM 10479 H2 TIP3A3493 48.744 4.808 44.114 1.00 0.00 H +ATOM 10480 O1 TIP3A3494 24.096 55.392 46.470 1.00 0.00 O +ATOM 10481 H1 TIP3A3494 23.299 55.904 46.340 1.00 0.00 H +ATOM 10482 H2 TIP3A3494 24.665 55.646 45.743 1.00 0.00 H +ATOM 10483 O1 TIP3A3495 6.698 55.716 23.523 1.00 0.00 O +ATOM 10484 H1 TIP3A3495 6.498 56.651 23.541 1.00 0.00 H +ATOM 10485 H2 TIP3A3495 7.497 55.632 24.043 1.00 0.00 H +ATOM 10486 O1 TIP3A3496 48.393 38.821 48.981 1.00 0.00 O +ATOM 10487 H1 TIP3A3496 48.002 39.622 48.634 1.00 0.00 H +ATOM 10488 H2 TIP3A3496 48.484 38.249 48.218 1.00 0.00 H +ATOM 10489 O1 TIP3A3497 33.580 23.710 55.858 1.00 0.00 O +ATOM 10490 H1 TIP3A3497 32.818 23.401 55.369 1.00 0.00 H +ATOM 10491 H2 TIP3A3497 33.298 23.702 56.773 1.00 0.00 H +ATOM 10492 O1 TIP3A3498 44.031 23.816 39.305 1.00 0.00 O +ATOM 10493 H1 TIP3A3498 44.434 24.420 39.928 1.00 0.00 H +ATOM 10494 H2 TIP3A3498 43.842 23.031 39.821 1.00 0.00 H +ATOM 10495 O1 TIP3A3499 8.042 27.777 29.177 1.00 0.00 O +ATOM 10496 H1 TIP3A3499 7.893 28.715 29.296 1.00 0.00 H +ATOM 10497 H2 TIP3A3499 8.764 27.726 28.550 1.00 0.00 H +ATOM 10498 O1 TIP3A3500 12.822 4.958 58.038 1.00 0.00 O +ATOM 10499 H1 TIP3A3500 12.215 4.441 57.510 1.00 0.00 H +ATOM 10500 H2 TIP3A3500 13.681 4.572 57.862 1.00 0.00 H +ATOM 10501 O1 TIP3A3501 49.872 22.455 45.912 1.00 0.00 O +ATOM 10502 H1 TIP3A3501 49.258 23.159 46.117 1.00 0.00 H +ATOM 10503 H2 TIP3A3501 49.792 21.845 46.646 1.00 0.00 H +ATOM 10504 O1 TIP3A3502 25.050 19.237 15.281 1.00 0.00 O +ATOM 10505 H1 TIP3A3502 24.612 18.397 15.411 1.00 0.00 H +ATOM 10506 H2 TIP3A3502 25.757 19.242 15.927 1.00 0.00 H +ATOM 10507 O1 TIP3A3503 18.657 37.963 36.785 1.00 0.00 O +ATOM 10508 H1 TIP3A3503 18.357 37.479 36.017 1.00 0.00 H +ATOM 10509 H2 TIP3A3503 19.359 38.526 36.455 1.00 0.00 H +ATOM 10510 O1 TIP3A3504 12.509 19.572 8.646 1.00 0.00 O +ATOM 10511 H1 TIP3A3504 12.175 18.684 8.770 1.00 0.00 H +ATOM 10512 H2 TIP3A3504 12.911 19.797 9.485 1.00 0.00 H +ATOM 10513 O1 TIP3A3505 27.082 24.633 30.592 1.00 0.00 O +ATOM 10514 H1 TIP3A3505 27.067 23.753 30.967 1.00 0.00 H +ATOM 10515 H2 TIP3A3505 27.448 24.514 29.715 1.00 0.00 H +ATOM 10516 O1 TIP3A3506 7.773 52.583 40.507 1.00 0.00 O +ATOM 10517 H1 TIP3A3506 7.867 53.413 40.041 1.00 0.00 H +ATOM 10518 H2 TIP3A3506 7.830 51.916 39.823 1.00 0.00 H +ATOM 10519 O1 TIP3A3507 51.651 57.984 15.537 1.00 0.00 O +ATOM 10520 H1 TIP3A3507 52.214 57.973 16.310 1.00 0.00 H +ATOM 10521 H2 TIP3A3507 51.630 57.073 15.242 1.00 0.00 H +ATOM 10522 O1 TIP3A3508 22.671 25.259 5.564 1.00 0.00 O +ATOM 10523 H1 TIP3A3508 21.883 24.728 5.455 1.00 0.00 H +ATOM 10524 H2 TIP3A3508 22.515 26.034 5.023 1.00 0.00 H +ATOM 10525 O1 TIP3A3509 3.566 56.259 45.405 1.00 0.00 O +ATOM 10526 H1 TIP3A3509 3.339 56.832 44.674 1.00 0.00 H +ATOM 10527 H2 TIP3A3509 2.978 55.509 45.313 1.00 0.00 H +ATOM 10528 O1 TIP3A3510 46.308 56.008 30.727 1.00 0.00 O +ATOM 10529 H1 TIP3A3510 47.040 56.059 30.113 1.00 0.00 H +ATOM 10530 H2 TIP3A3510 45.827 56.825 30.595 1.00 0.00 H +ATOM 10531 O1 TIP3A3511 3.581 48.177 5.037 1.00 0.00 O +ATOM 10532 H1 TIP3A3511 2.837 47.690 5.390 1.00 0.00 H +ATOM 10533 H2 TIP3A3511 3.264 48.529 4.205 1.00 0.00 H +ATOM 10534 O1 TIP3A3512 11.803 56.987 55.693 1.00 0.00 O +ATOM 10535 H1 TIP3A3512 11.044 57.316 55.213 1.00 0.00 H +ATOM 10536 H2 TIP3A3512 11.444 56.331 56.291 1.00 0.00 H +ATOM 10537 O1 TIP3A3513 29.408 13.822 18.641 1.00 0.00 O +ATOM 10538 H1 TIP3A3513 28.485 14.071 18.672 1.00 0.00 H +ATOM 10539 H2 TIP3A3513 29.468 13.052 19.207 1.00 0.00 H +ATOM 10540 O1 TIP3A3514 23.368 43.528 18.017 1.00 0.00 O +ATOM 10541 H1 TIP3A3514 22.970 42.830 18.537 1.00 0.00 H +ATOM 10542 H2 TIP3A3514 22.686 43.782 17.394 1.00 0.00 H +ATOM 10543 O1 TIP3A3515 16.351 26.427 7.902 1.00 0.00 O +ATOM 10544 H1 TIP3A3515 17.070 27.009 7.659 1.00 0.00 H +ATOM 10545 H2 TIP3A3515 15.888 26.895 8.598 1.00 0.00 H +ATOM 10546 O1 TIP3A3516 9.590 5.857 40.104 1.00 0.00 O +ATOM 10547 H1 TIP3A3516 8.900 6.515 40.183 1.00 0.00 H +ATOM 10548 H2 TIP3A3516 10.238 6.258 39.524 1.00 0.00 H +ATOM 10549 O1 TIP3A3517 23.564 26.410 7.716 1.00 0.00 O +ATOM 10550 H1 TIP3A3517 22.920 27.116 7.691 1.00 0.00 H +ATOM 10551 H2 TIP3A3517 24.223 26.663 7.068 1.00 0.00 H +ATOM 10552 O1 TIP3A3518 32.850 37.334 14.888 1.00 0.00 O +ATOM 10553 H1 TIP3A3518 32.042 37.811 14.703 1.00 0.00 H +ATOM 10554 H2 TIP3A3518 33.423 37.534 14.147 1.00 0.00 H +ATOM 10555 O1 TIP3A3519 25.055 9.785 25.722 1.00 0.00 O +ATOM 10556 H1 TIP3A3519 25.999 9.785 25.877 1.00 0.00 H +ATOM 10557 H2 TIP3A3519 24.710 10.427 26.343 1.00 0.00 H +ATOM 10558 O1 TIP3A3520 55.161 12.249 40.889 1.00 0.00 O +ATOM 10559 H1 TIP3A3520 54.709 13.076 41.055 1.00 0.00 H +ATOM 10560 H2 TIP3A3520 55.924 12.494 40.365 1.00 0.00 H +ATOM 10561 O1 TIP3A3521 13.595 37.728 24.122 1.00 0.00 O +ATOM 10562 H1 TIP3A3521 13.900 36.827 24.223 1.00 0.00 H +ATOM 10563 H2 TIP3A3521 14.366 38.211 23.823 1.00 0.00 H +ATOM 10564 O1 TIP3A3522 30.943 56.286 4.162 1.00 0.00 O +ATOM 10565 H1 TIP3A3522 31.101 55.773 3.370 1.00 0.00 H +ATOM 10566 H2 TIP3A3522 30.545 55.666 4.774 1.00 0.00 H +ATOM 10567 O1 TIP3A3523 33.861 15.722 32.120 1.00 0.00 O +ATOM 10568 H1 TIP3A3523 34.138 15.433 31.251 1.00 0.00 H +ATOM 10569 H2 TIP3A3523 33.971 14.950 32.675 1.00 0.00 H +ATOM 10570 O1 TIP3A3524 13.031 21.459 2.539 1.00 0.00 O +ATOM 10571 H1 TIP3A3524 12.744 21.988 3.282 1.00 0.00 H +ATOM 10572 H2 TIP3A3524 13.078 20.566 2.883 1.00 0.00 H +ATOM 10573 O1 TIP3A3525 30.418 37.242 16.995 1.00 0.00 O +ATOM 10574 H1 TIP3A3525 31.314 37.146 16.672 1.00 0.00 H +ATOM 10575 H2 TIP3A3525 29.884 37.312 16.203 1.00 0.00 H +ATOM 10576 O1 TIP3A3526 8.122 44.374 51.754 1.00 0.00 O +ATOM 10577 H1 TIP3A3526 8.212 45.305 51.553 1.00 0.00 H +ATOM 10578 H2 TIP3A3526 7.776 44.354 52.647 1.00 0.00 H +ATOM 10579 O1 TIP3A3527 48.786 22.336 39.966 1.00 0.00 O +ATOM 10580 H1 TIP3A3527 48.820 23.292 39.993 1.00 0.00 H +ATOM 10581 H2 TIP3A3527 49.605 22.079 39.542 1.00 0.00 H +ATOM 10582 O1 TIP3A3528 21.776 7.124 30.691 1.00 0.00 O +ATOM 10583 H1 TIP3A3528 22.149 7.236 29.817 1.00 0.00 H +ATOM 10584 H2 TIP3A3528 22.536 7.060 31.270 1.00 0.00 H +ATOM 10585 O1 TIP3A3529 3.274 21.245 52.467 1.00 0.00 O +ATOM 10586 H1 TIP3A3529 2.776 20.436 52.578 1.00 0.00 H +ATOM 10587 H2 TIP3A3529 2.675 21.836 52.010 1.00 0.00 H +ATOM 10588 O1 TIP3A3530 17.964 10.390 12.418 1.00 0.00 O +ATOM 10589 H1 TIP3A3530 17.536 9.699 12.922 1.00 0.00 H +ATOM 10590 H2 TIP3A3530 17.841 10.131 11.504 1.00 0.00 H +ATOM 10591 O1 TIP3A3531 57.365 23.221 22.172 1.00 0.00 O +ATOM 10592 H1 TIP3A3531 56.667 22.750 22.624 1.00 0.00 H +ATOM 10593 H2 TIP3A3531 57.566 22.679 21.408 1.00 0.00 H +ATOM 10594 O1 TIP3A3532 33.766 3.490 1.986 1.00 0.00 O +ATOM 10595 H1 TIP3A3532 34.095 3.904 2.783 1.00 0.00 H +ATOM 10596 H2 TIP3A3532 34.144 2.610 2.000 1.00 0.00 H +ATOM 10597 O1 TIP3A3533 31.949 0.709 47.654 1.00 0.00 O +ATOM 10598 H1 TIP3A3533 31.653 1.337 48.313 1.00 0.00 H +ATOM 10599 H2 TIP3A3533 31.200 0.125 47.527 1.00 0.00 H +ATOM 10600 O1 TIP3A3534 2.381 54.469 36.406 1.00 0.00 O +ATOM 10601 H1 TIP3A3534 2.521 53.552 36.641 1.00 0.00 H +ATOM 10602 H2 TIP3A3534 3.239 54.879 36.517 1.00 0.00 H +ATOM 10603 O1 TIP3A3535 30.807 42.042 50.923 1.00 0.00 O +ATOM 10604 H1 TIP3A3535 31.058 42.009 51.846 1.00 0.00 H +ATOM 10605 H2 TIP3A3535 31.451 42.625 50.520 1.00 0.00 H +ATOM 10606 O1 TIP3A3536 10.322 24.061 1.416 1.00 0.00 O +ATOM 10607 H1 TIP3A3536 11.238 24.277 1.591 1.00 0.00 H +ATOM 10608 H2 TIP3A3536 10.302 23.834 0.486 1.00 0.00 H +ATOM 10609 O1 TIP3A3537 54.532 8.809 19.763 1.00 0.00 O +ATOM 10610 H1 TIP3A3537 53.910 9.530 19.670 1.00 0.00 H +ATOM 10611 H2 TIP3A3537 55.275 9.061 19.213 1.00 0.00 H +ATOM 10612 O1 TIP3A3538 57.941 14.457 5.995 1.00 0.00 O +ATOM 10613 H1 TIP3A3538 57.192 14.342 5.411 1.00 0.00 H +ATOM 10614 H2 TIP3A3538 58.000 13.632 6.477 1.00 0.00 H +ATOM 10615 O1 TIP3A3539 51.954 41.475 10.681 1.00 0.00 O +ATOM 10616 H1 TIP3A3539 52.745 41.031 10.376 1.00 0.00 H +ATOM 10617 H2 TIP3A3539 52.218 42.390 10.787 1.00 0.00 H +ATOM 10618 O1 TIP3A3540 12.041 52.195 13.913 1.00 0.00 O +ATOM 10619 H1 TIP3A3540 11.782 53.116 13.896 1.00 0.00 H +ATOM 10620 H2 TIP3A3540 11.224 51.713 13.787 1.00 0.00 H +ATOM 10621 O1 TIP3A3541 49.270 39.204 21.540 1.00 0.00 O +ATOM 10622 H1 TIP3A3541 49.162 40.117 21.277 1.00 0.00 H +ATOM 10623 H2 TIP3A3541 50.188 39.006 21.351 1.00 0.00 H +ATOM 10624 O1 TIP3A3542 55.149 21.942 4.261 1.00 0.00 O +ATOM 10625 H1 TIP3A3542 55.425 21.303 3.604 1.00 0.00 H +ATOM 10626 H2 TIP3A3542 55.965 22.339 4.567 1.00 0.00 H +ATOM 10627 O1 TIP3A3543 41.992 52.227 57.704 1.00 0.00 O +ATOM 10628 H1 TIP3A3543 42.376 53.032 57.360 1.00 0.00 H +ATOM 10629 H2 TIP3A3543 41.161 52.137 57.237 1.00 0.00 H +ATOM 10630 O1 TIP3A3544 5.188 41.198 50.761 1.00 0.00 O +ATOM 10631 H1 TIP3A3544 5.549 40.349 50.511 1.00 0.00 H +ATOM 10632 H2 TIP3A3544 4.240 41.063 50.769 1.00 0.00 H +ATOM 10633 O1 TIP3A3545 46.625 54.437 44.542 1.00 0.00 O +ATOM 10634 H1 TIP3A3545 45.864 54.142 44.043 1.00 0.00 H +ATOM 10635 H2 TIP3A3545 47.153 53.647 44.665 1.00 0.00 H +ATOM 10636 O1 TIP3A3546 5.342 15.156 0.439 1.00 0.00 O +ATOM 10637 H1 TIP3A3546 4.945 14.302 0.274 1.00 0.00 H +ATOM 10638 H2 TIP3A3546 4.769 15.779 -0.009 1.00 0.00 H +ATOM 10639 O1 TIP3A3547 53.211 4.373 11.204 1.00 0.00 O +ATOM 10640 H1 TIP3A3547 52.953 5.262 11.445 1.00 0.00 H +ATOM 10641 H2 TIP3A3547 53.657 4.473 10.363 1.00 0.00 H +ATOM 10642 O1 TIP3A3548 22.494 37.788 9.242 1.00 0.00 O +ATOM 10643 H1 TIP3A3548 22.639 38.671 9.582 1.00 0.00 H +ATOM 10644 H2 TIP3A3548 21.971 37.919 8.451 1.00 0.00 H +ATOM 10645 O1 TIP3A3549 36.425 41.330 15.043 1.00 0.00 O +ATOM 10646 H1 TIP3A3549 37.321 41.640 15.169 1.00 0.00 H +ATOM 10647 H2 TIP3A3549 35.939 41.693 15.784 1.00 0.00 H +ATOM 10648 O1 TIP3A3550 41.571 25.777 51.980 1.00 0.00 O +ATOM 10649 H1 TIP3A3550 42.294 25.823 52.605 1.00 0.00 H +ATOM 10650 H2 TIP3A3550 41.647 26.581 51.466 1.00 0.00 H +ATOM 10651 O1 TIP3A3551 20.115 54.455 0.744 1.00 0.00 O +ATOM 10652 H1 TIP3A3551 20.946 54.700 1.152 1.00 0.00 H +ATOM 10653 H2 TIP3A3551 19.822 55.250 0.298 1.00 0.00 H +ATOM 10654 O1 TIP3A3552 35.500 17.256 9.958 1.00 0.00 O +ATOM 10655 H1 TIP3A3552 35.572 18.202 9.837 1.00 0.00 H +ATOM 10656 H2 TIP3A3552 36.381 16.923 9.787 1.00 0.00 H +ATOM 10657 O1 TIP3A3553 46.820 12.025 2.949 1.00 0.00 O +ATOM 10658 H1 TIP3A3553 47.649 11.549 2.908 1.00 0.00 H +ATOM 10659 H2 TIP3A3553 46.802 12.401 3.829 1.00 0.00 H +ATOM 10660 O1 TIP3A3554 39.015 32.265 13.712 1.00 0.00 O +ATOM 10661 H1 TIP3A3554 38.145 32.657 13.643 1.00 0.00 H +ATOM 10662 H2 TIP3A3554 39.345 32.253 12.813 1.00 0.00 H +ATOM 10663 O1 TIP3A3555 18.245 25.429 55.674 1.00 0.00 O +ATOM 10664 H1 TIP3A3555 18.992 25.112 55.167 1.00 0.00 H +ATOM 10665 H2 TIP3A3555 18.636 25.908 56.405 1.00 0.00 H +ATOM 10666 O1 TIP3A3556 44.968 23.893 4.601 1.00 0.00 O +ATOM 10667 H1 TIP3A3556 44.896 24.197 5.505 1.00 0.00 H +ATOM 10668 H2 TIP3A3556 44.067 23.700 4.340 1.00 0.00 H +ATOM 10669 O1 TIP3A3557 19.884 33.904 30.109 1.00 0.00 O +ATOM 10670 H1 TIP3A3557 20.019 34.850 30.061 1.00 0.00 H +ATOM 10671 H2 TIP3A3557 20.538 33.538 29.513 1.00 0.00 H +ATOM 10672 O1 TIP3A3558 41.531 34.400 43.736 1.00 0.00 O +ATOM 10673 H1 TIP3A3558 40.616 34.484 43.999 1.00 0.00 H +ATOM 10674 H2 TIP3A3558 41.593 34.896 42.919 1.00 0.00 H +ATOM 10675 O1 TIP3A3559 27.819 54.193 50.719 1.00 0.00 O +ATOM 10676 H1 TIP3A3559 27.132 54.630 51.221 1.00 0.00 H +ATOM 10677 H2 TIP3A3559 28.454 53.909 51.377 1.00 0.00 H +ATOM 10678 O1 TIP3A3560 2.317 7.568 11.753 1.00 0.00 O +ATOM 10679 H1 TIP3A3560 3.109 7.034 11.707 1.00 0.00 H +ATOM 10680 H2 TIP3A3560 2.608 8.397 12.136 1.00 0.00 H +ATOM 10681 O1 TIP3A3561 33.838 34.032 16.419 1.00 0.00 O +ATOM 10682 H1 TIP3A3561 33.200 33.320 16.402 1.00 0.00 H +ATOM 10683 H2 TIP3A3561 33.523 34.652 15.760 1.00 0.00 H +ATOM 10684 O1 TIP3A3562 0.639 15.919 49.143 1.00 0.00 O +ATOM 10685 H1 TIP3A3562 0.665 16.270 48.253 1.00 0.00 H +ATOM 10686 H2 TIP3A3562 1.061 16.591 49.679 1.00 0.00 H +ATOM 10687 O1 TIP3A3563 9.214 53.578 13.598 1.00 0.00 O +ATOM 10688 H1 TIP3A3563 8.615 54.282 13.355 1.00 0.00 H +ATOM 10689 H2 TIP3A3563 8.925 53.305 14.470 1.00 0.00 H +ATOM 10690 O1 TIP3A3564 50.821 29.190 7.187 1.00 0.00 O +ATOM 10691 H1 TIP3A3564 50.666 28.662 7.970 1.00 0.00 H +ATOM 10692 H2 TIP3A3564 51.772 29.302 7.158 1.00 0.00 H +ATOM 10693 O1 TIP3A3565 24.151 51.043 46.788 1.00 0.00 O +ATOM 10694 H1 TIP3A3565 23.434 50.411 46.839 1.00 0.00 H +ATOM 10695 H2 TIP3A3565 24.864 50.638 47.283 1.00 0.00 H +ATOM 10696 O1 TIP3A3566 20.276 53.923 24.867 1.00 0.00 O +ATOM 10697 H1 TIP3A3566 20.442 52.994 24.712 1.00 0.00 H +ATOM 10698 H2 TIP3A3566 21.147 54.310 24.964 1.00 0.00 H +ATOM 10699 O1 TIP3A3567 52.627 1.768 9.958 1.00 0.00 O +ATOM 10700 H1 TIP3A3567 53.254 2.309 10.436 1.00 0.00 H +ATOM 10701 H2 TIP3A3567 51.783 2.200 10.096 1.00 0.00 H +ATOM 10702 O1 TIP3A3568 30.785 52.834 37.355 1.00 0.00 O +ATOM 10703 H1 TIP3A3568 30.372 52.726 38.211 1.00 0.00 H +ATOM 10704 H2 TIP3A3568 30.808 53.781 37.217 1.00 0.00 H +ATOM 10705 O1 TIP3A3569 16.965 31.477 40.835 1.00 0.00 O +ATOM 10706 H1 TIP3A3569 16.065 31.801 40.831 1.00 0.00 H +ATOM 10707 H2 TIP3A3569 16.877 30.525 40.778 1.00 0.00 H +ATOM 10708 O1 TIP3A3570 22.399 11.093 24.023 1.00 0.00 O +ATOM 10709 H1 TIP3A3570 23.105 10.612 24.452 1.00 0.00 H +ATOM 10710 H2 TIP3A3570 21.832 10.413 23.658 1.00 0.00 H +ATOM 10711 O1 TIP3A3571 33.041 25.241 41.547 1.00 0.00 O +ATOM 10712 H1 TIP3A3571 32.990 25.516 40.633 1.00 0.00 H +ATOM 10713 H2 TIP3A3571 33.940 25.443 41.809 1.00 0.00 H +ATOM 10714 O1 TIP3A3572 29.566 56.818 22.673 1.00 0.00 O +ATOM 10715 H1 TIP3A3572 28.906 57.267 23.200 1.00 0.00 H +ATOM 10716 H2 TIP3A3572 29.225 56.854 21.779 1.00 0.00 H +ATOM 10717 O1 TIP3A3573 16.895 10.222 0.560 1.00 0.00 O +ATOM 10718 H1 TIP3A3573 16.567 9.525 -0.008 1.00 0.00 H +ATOM 10719 H2 TIP3A3573 16.842 11.014 0.024 1.00 0.00 H +ATOM 10720 O1 TIP3A3574 54.595 19.040 46.823 1.00 0.00 O +ATOM 10721 H1 TIP3A3574 55.274 18.411 47.066 1.00 0.00 H +ATOM 10722 H2 TIP3A3574 54.847 19.849 47.269 1.00 0.00 H +ATOM 10723 O1 TIP3A3575 35.359 48.042 38.259 1.00 0.00 O +ATOM 10724 H1 TIP3A3575 34.567 47.810 38.743 1.00 0.00 H +ATOM 10725 H2 TIP3A3575 35.763 47.202 38.042 1.00 0.00 H +ATOM 10726 O1 TIP3A3576 54.544 52.241 14.083 1.00 0.00 O +ATOM 10727 H1 TIP3A3576 53.633 52.521 14.167 1.00 0.00 H +ATOM 10728 H2 TIP3A3576 55.055 53.005 14.355 1.00 0.00 H +ATOM 10729 O1 TIP3A3577 50.609 15.837 25.050 1.00 0.00 O +ATOM 10730 H1 TIP3A3577 51.357 16.420 25.174 1.00 0.00 H +ATOM 10731 H2 TIP3A3577 50.995 15.009 24.764 1.00 0.00 H +ATOM 10732 O1 TIP3A3578 51.859 6.219 0.455 1.00 0.00 O +ATOM 10733 H1 TIP3A3578 51.273 5.561 0.829 1.00 0.00 H +ATOM 10734 H2 TIP3A3578 51.874 6.924 1.104 1.00 0.00 H +ATOM 10735 O1 TIP3A3579 11.845 10.573 38.178 1.00 0.00 O +ATOM 10736 H1 TIP3A3579 12.754 10.864 38.238 1.00 0.00 H +ATOM 10737 H2 TIP3A3579 11.373 11.133 38.795 1.00 0.00 H +ATOM 10738 O1 TIP3A3580 36.959 50.976 15.063 1.00 0.00 O +ATOM 10739 H1 TIP3A3580 37.376 51.831 15.160 1.00 0.00 H +ATOM 10740 H2 TIP3A3580 36.028 51.144 15.216 1.00 0.00 H +ATOM 10741 O1 TIP3A3581 1.052 10.043 34.039 1.00 0.00 O +ATOM 10742 H1 TIP3A3581 1.746 10.658 33.803 1.00 0.00 H +ATOM 10743 H2 TIP3A3581 0.399 10.140 33.345 1.00 0.00 H +ATOM 10744 O1 TIP3A3582 11.639 37.066 15.174 1.00 0.00 O +ATOM 10745 H1 TIP3A3582 10.795 36.687 15.414 1.00 0.00 H +ATOM 10746 H2 TIP3A3582 11.423 37.753 14.543 1.00 0.00 H +ATOM 10747 O1 TIP3A3583 32.763 14.549 44.894 1.00 0.00 O +ATOM 10748 H1 TIP3A3583 33.096 15.411 44.646 1.00 0.00 H +ATOM 10749 H2 TIP3A3583 32.418 14.671 45.779 1.00 0.00 H +ATOM 10750 O1 TIP3A3584 40.363 6.110 48.733 1.00 0.00 O +ATOM 10751 H1 TIP3A3584 40.071 6.881 48.248 1.00 0.00 H +ATOM 10752 H2 TIP3A3584 39.756 5.417 48.471 1.00 0.00 H +ATOM 10753 O1 TIP3A3585 23.614 24.131 57.624 1.00 0.00 O +ATOM 10754 H1 TIP3A3585 23.741 24.520 56.759 1.00 0.00 H +ATOM 10755 H2 TIP3A3585 23.994 23.255 57.551 1.00 0.00 H +ATOM 10756 O1 TIP3A3586 13.513 52.925 34.878 1.00 0.00 O +ATOM 10757 H1 TIP3A3586 12.572 53.086 34.820 1.00 0.00 H +ATOM 10758 H2 TIP3A3586 13.892 53.468 34.186 1.00 0.00 H +ATOM 10759 O1 TIP3A3587 41.166 36.747 13.325 1.00 0.00 O +ATOM 10760 H1 TIP3A3587 41.923 37.303 13.500 1.00 0.00 H +ATOM 10761 H2 TIP3A3587 41.533 35.962 12.917 1.00 0.00 H +ATOM 10762 O1 TIP3A3588 12.947 40.778 2.116 1.00 0.00 O +ATOM 10763 H1 TIP3A3588 13.755 40.809 2.627 1.00 0.00 H +ATOM 10764 H2 TIP3A3588 12.691 41.695 2.016 1.00 0.00 H +ATOM 10765 O1 TIP3A3589 4.371 13.316 34.237 1.00 0.00 O +ATOM 10766 H1 TIP3A3589 4.098 14.209 34.027 1.00 0.00 H +ATOM 10767 H2 TIP3A3589 4.628 13.354 35.158 1.00 0.00 H +ATOM 10768 O1 TIP3A3590 47.713 45.513 25.205 1.00 0.00 O +ATOM 10769 H1 TIP3A3590 48.143 45.198 25.999 1.00 0.00 H +ATOM 10770 H2 TIP3A3590 48.078 44.972 24.504 1.00 0.00 H +ATOM 10771 O1 TIP3A3591 23.697 9.321 7.193 1.00 0.00 O +ATOM 10772 H1 TIP3A3591 24.158 10.151 7.310 1.00 0.00 H +ATOM 10773 H2 TIP3A3591 22.894 9.419 7.705 1.00 0.00 H +ATOM 10774 O1 TIP3A3592 54.286 0.625 26.070 1.00 0.00 O +ATOM 10775 H1 TIP3A3592 53.690 1.168 25.556 1.00 0.00 H +ATOM 10776 H2 TIP3A3592 53.873 0.562 26.931 1.00 0.00 H +ATOM 10777 O1 TIP3A3593 33.979 19.813 28.957 1.00 0.00 O +ATOM 10778 H1 TIP3A3593 34.748 19.624 29.492 1.00 0.00 H +ATOM 10779 H2 TIP3A3593 34.119 19.315 28.150 1.00 0.00 H +ATOM 10780 O1 TIP3A3594 34.997 52.366 32.000 1.00 0.00 O +ATOM 10781 H1 TIP3A3594 35.683 52.388 31.334 1.00 0.00 H +ATOM 10782 H2 TIP3A3594 34.666 51.467 31.974 1.00 0.00 H +ATOM 10783 O1 TIP3A3595 49.383 45.892 39.805 1.00 0.00 O +ATOM 10784 H1 TIP3A3595 49.968 45.165 40.016 1.00 0.00 H +ATOM 10785 H2 TIP3A3595 49.969 46.605 39.548 1.00 0.00 H +ATOM 10786 O1 TIP3A3596 16.542 6.221 49.395 1.00 0.00 O +ATOM 10787 H1 TIP3A3596 15.773 5.652 49.399 1.00 0.00 H +ATOM 10788 H2 TIP3A3596 16.620 6.512 48.486 1.00 0.00 H +ATOM 10789 O1 TIP3A3597 9.914 42.254 53.364 1.00 0.00 O +ATOM 10790 H1 TIP3A3597 10.730 41.803 53.578 1.00 0.00 H +ATOM 10791 H2 TIP3A3597 9.963 43.081 53.845 1.00 0.00 H +ATOM 10792 O1 TIP3A3598 35.154 18.041 49.495 1.00 0.00 O +ATOM 10793 H1 TIP3A3598 35.919 17.770 50.002 1.00 0.00 H +ATOM 10794 H2 TIP3A3598 35.310 17.687 48.619 1.00 0.00 H +ATOM 10795 O1 TIP3A3599 16.865 23.206 3.286 1.00 0.00 O +ATOM 10796 H1 TIP3A3599 16.583 22.882 4.141 1.00 0.00 H +ATOM 10797 H2 TIP3A3599 17.783 22.941 3.220 1.00 0.00 H +ATOM 10798 O1 TIP3A3600 50.615 55.825 11.630 1.00 0.00 O +ATOM 10799 H1 TIP3A3600 51.547 55.684 11.794 1.00 0.00 H +ATOM 10800 H2 TIP3A3600 50.480 56.758 11.802 1.00 0.00 H +ATOM 10801 O1 TIP3A3601 -0.003 42.913 2.424 1.00 0.00 O +ATOM 10802 H1 TIP3A3601 0.133 43.121 3.348 1.00 0.00 H +ATOM 10803 H2 TIP3A3601 0.860 42.647 2.108 1.00 0.00 H +ATOM 10804 O1 TIP3A3602 4.783 2.218 17.404 1.00 0.00 O +ATOM 10805 H1 TIP3A3602 4.880 1.440 16.856 1.00 0.00 H +ATOM 10806 H2 TIP3A3602 5.477 2.808 17.109 1.00 0.00 H +ATOM 10807 O1 TIP3A3603 11.769 17.755 1.975 1.00 0.00 O +ATOM 10808 H1 TIP3A3603 11.113 17.168 1.599 1.00 0.00 H +ATOM 10809 H2 TIP3A3603 11.825 17.494 2.894 1.00 0.00 H +ATOM 10810 O1 TIP3A3604 17.410 54.039 19.544 1.00 0.00 O +ATOM 10811 H1 TIP3A3604 16.461 54.028 19.665 1.00 0.00 H +ATOM 10812 H2 TIP3A3604 17.738 53.385 20.163 1.00 0.00 H +ATOM 10813 O1 TIP3A3605 23.316 41.105 27.571 1.00 0.00 O +ATOM 10814 H1 TIP3A3605 23.884 41.873 27.542 1.00 0.00 H +ATOM 10815 H2 TIP3A3605 22.474 41.415 27.237 1.00 0.00 H +ATOM 10816 O1 TIP3A3606 56.614 33.808 54.166 1.00 0.00 O +ATOM 10817 H1 TIP3A3606 57.149 34.584 54.005 1.00 0.00 H +ATOM 10818 H2 TIP3A3606 55.874 34.130 54.683 1.00 0.00 H +ATOM 10819 O1 TIP3A3607 6.336 51.985 14.631 1.00 0.00 O +ATOM 10820 H1 TIP3A3607 5.695 51.976 15.341 1.00 0.00 H +ATOM 10821 H2 TIP3A3607 6.795 52.819 14.732 1.00 0.00 H +ATOM 10822 O1 TIP3A3608 15.363 21.502 15.173 1.00 0.00 O +ATOM 10823 H1 TIP3A3608 16.310 21.449 15.296 1.00 0.00 H +ATOM 10824 H2 TIP3A3608 15.130 22.380 15.478 1.00 0.00 H +ATOM 10825 O1 TIP3A3609 24.983 29.543 49.260 1.00 0.00 O +ATOM 10826 H1 TIP3A3609 24.223 30.121 49.312 1.00 0.00 H +ATOM 10827 H2 TIP3A3609 24.809 28.859 49.907 1.00 0.00 H +ATOM 10828 O1 TIP3A3610 22.784 35.845 50.010 1.00 0.00 O +ATOM 10829 H1 TIP3A3610 21.855 35.946 49.806 1.00 0.00 H +ATOM 10830 H2 TIP3A3610 23.168 35.484 49.210 1.00 0.00 H +ATOM 10831 O1 TIP3A3611 24.064 33.724 17.925 1.00 0.00 O +ATOM 10832 H1 TIP3A3611 23.421 33.026 18.043 1.00 0.00 H +ATOM 10833 H2 TIP3A3611 24.313 33.668 17.002 1.00 0.00 H +ATOM 10834 O1 TIP3A3612 10.854 26.428 16.773 1.00 0.00 O +ATOM 10835 H1 TIP3A3612 11.295 27.232 17.047 1.00 0.00 H +ATOM 10836 H2 TIP3A3612 9.933 26.571 16.996 1.00 0.00 H +ATOM 10837 O1 TIP3A3613 53.640 12.063 39.117 1.00 0.00 O +ATOM 10838 H1 TIP3A3613 54.136 11.408 38.627 1.00 0.00 H +ATOM 10839 H2 TIP3A3613 52.734 11.941 38.831 1.00 0.00 H +ATOM 10840 O1 TIP3A3614 9.395 12.041 7.771 1.00 0.00 O +ATOM 10841 H1 TIP3A3614 9.992 12.783 7.867 1.00 0.00 H +ATOM 10842 H2 TIP3A3614 8.612 12.298 8.259 1.00 0.00 H +ATOM 10843 O1 TIP3A3615 38.227 53.975 27.211 1.00 0.00 O +ATOM 10844 H1 TIP3A3615 39.153 53.900 27.439 1.00 0.00 H +ATOM 10845 H2 TIP3A3615 37.960 53.082 26.990 1.00 0.00 H +ATOM 10846 O1 TIP3A3616 21.474 29.035 53.035 1.00 0.00 O +ATOM 10847 H1 TIP3A3616 20.758 28.403 53.088 1.00 0.00 H +ATOM 10848 H2 TIP3A3616 22.202 28.612 53.490 1.00 0.00 H +ATOM 10849 O1 TIP3A3617 4.805 6.335 40.245 1.00 0.00 O +ATOM 10850 H1 TIP3A3617 4.619 6.848 39.460 1.00 0.00 H +ATOM 10851 H2 TIP3A3617 5.645 6.671 40.559 1.00 0.00 H +ATOM 10852 O1 TIP3A3618 51.818 40.923 2.322 1.00 0.00 O +ATOM 10853 H1 TIP3A3618 52.604 40.440 2.574 1.00 0.00 H +ATOM 10854 H2 TIP3A3618 51.192 40.245 2.065 1.00 0.00 H +ATOM 10855 O1 TIP3A3619 42.456 35.424 30.650 1.00 0.00 O +ATOM 10856 H1 TIP3A3619 42.704 34.778 29.989 1.00 0.00 H +ATOM 10857 H2 TIP3A3619 43.276 35.865 30.875 1.00 0.00 H +ATOM 10858 O1 TIP3A3620 53.107 28.821 57.771 1.00 0.00 O +ATOM 10859 H1 TIP3A3620 52.738 29.672 58.003 1.00 0.00 H +ATOM 10860 H2 TIP3A3620 52.512 28.474 57.105 1.00 0.00 H +ATOM 10861 O1 TIP3A3621 51.746 5.852 16.491 1.00 0.00 O +ATOM 10862 H1 TIP3A3621 52.071 5.877 15.592 1.00 0.00 H +ATOM 10863 H2 TIP3A3621 50.815 6.061 16.416 1.00 0.00 H +ATOM 10864 O1 TIP3A3622 34.670 33.976 50.977 1.00 0.00 O +ATOM 10865 H1 TIP3A3622 34.116 34.640 51.386 1.00 0.00 H +ATOM 10866 H2 TIP3A3622 34.719 34.238 50.057 1.00 0.00 H +ATOM 10867 O1 TIP3A3623 24.641 1.475 28.708 1.00 0.00 O +ATOM 10868 H1 TIP3A3623 24.249 2.064 28.064 1.00 0.00 H +ATOM 10869 H2 TIP3A3623 23.894 1.046 29.127 1.00 0.00 H +ATOM 10870 O1 TIP3A3624 52.966 19.735 33.942 1.00 0.00 O +ATOM 10871 H1 TIP3A3624 53.301 19.131 34.604 1.00 0.00 H +ATOM 10872 H2 TIP3A3624 53.406 20.564 34.129 1.00 0.00 H +ATOM 10873 O1 TIP3A3625 21.812 51.246 38.700 1.00 0.00 O +ATOM 10874 H1 TIP3A3625 21.778 50.500 39.298 1.00 0.00 H +ATOM 10875 H2 TIP3A3625 21.185 51.029 38.009 1.00 0.00 H +ATOM 10876 O1 TIP3A3626 54.911 43.399 3.371 1.00 0.00 O +ATOM 10877 H1 TIP3A3626 55.348 42.912 2.673 1.00 0.00 H +ATOM 10878 H2 TIP3A3626 54.237 42.801 3.695 1.00 0.00 H +ATOM 10879 O1 TIP3A3627 53.676 53.961 39.957 1.00 0.00 O +ATOM 10880 H1 TIP3A3627 54.528 54.392 39.901 1.00 0.00 H +ATOM 10881 H2 TIP3A3627 53.043 54.679 39.958 1.00 0.00 H +ATOM 10882 O1 TIP3A3628 36.344 49.123 29.000 1.00 0.00 O +ATOM 10883 H1 TIP3A3628 36.086 48.378 29.542 1.00 0.00 H +ATOM 10884 H2 TIP3A3628 35.949 48.946 28.146 1.00 0.00 H +ATOM 10885 O1 TIP3A3629 5.807 13.646 31.550 1.00 0.00 O +ATOM 10886 H1 TIP3A3629 6.719 13.849 31.755 1.00 0.00 H +ATOM 10887 H2 TIP3A3629 5.299 14.180 32.162 1.00 0.00 H +ATOM 10888 O1 TIP3A3630 4.605 19.269 7.553 1.00 0.00 O +ATOM 10889 H1 TIP3A3630 5.186 18.971 6.853 1.00 0.00 H +ATOM 10890 H2 TIP3A3630 5.154 19.268 8.337 1.00 0.00 H +ATOM 10891 O1 TIP3A3631 37.405 57.873 53.727 1.00 0.00 O +ATOM 10892 H1 TIP3A3631 37.763 56.990 53.641 1.00 0.00 H +ATOM 10893 H2 TIP3A3631 37.304 58.000 54.671 1.00 0.00 H +ATOM 10894 O1 TIP3A3632 29.446 9.280 53.558 1.00 0.00 O +ATOM 10895 H1 TIP3A3632 28.637 9.663 53.894 1.00 0.00 H +ATOM 10896 H2 TIP3A3632 30.018 9.215 54.324 1.00 0.00 H +ATOM 10897 O1 TIP3A3633 15.046 48.149 57.022 1.00 0.00 O +ATOM 10898 H1 TIP3A3633 15.474 48.903 57.425 1.00 0.00 H +ATOM 10899 H2 TIP3A3633 14.214 48.067 57.489 1.00 0.00 H +ATOM 10900 O1 TIP3A3634 32.988 18.928 14.553 1.00 0.00 O +ATOM 10901 H1 TIP3A3634 33.604 18.263 14.858 1.00 0.00 H +ATOM 10902 H2 TIP3A3634 32.792 19.449 15.333 1.00 0.00 H +ATOM 10903 O1 TIP3A3635 47.261 14.153 1.439 1.00 0.00 O +ATOM 10904 H1 TIP3A3635 46.540 13.530 1.352 1.00 0.00 H +ATOM 10905 H2 TIP3A3635 46.973 14.923 0.949 1.00 0.00 H +ATOM 10906 O1 TIP3A3636 50.048 24.767 57.153 1.00 0.00 O +ATOM 10907 H1 TIP3A3636 49.562 25.563 57.365 1.00 0.00 H +ATOM 10908 H2 TIP3A3636 50.635 25.026 56.442 1.00 0.00 H +ATOM 10909 O1 TIP3A3637 40.986 14.303 9.033 1.00 0.00 O +ATOM 10910 H1 TIP3A3637 41.930 14.190 9.143 1.00 0.00 H +ATOM 10911 H2 TIP3A3637 40.739 13.642 8.386 1.00 0.00 H +ATOM 10912 O1 TIP3A3638 0.127 40.817 53.293 1.00 0.00 O +ATOM 10913 H1 TIP3A3638 0.400 41.723 53.426 1.00 0.00 H +ATOM 10914 H2 TIP3A3638 0.830 40.428 52.772 1.00 0.00 H +ATOM 10915 O1 TIP3A3639 16.310 0.972 18.736 1.00 0.00 O +ATOM 10916 H1 TIP3A3639 17.214 0.762 18.504 1.00 0.00 H +ATOM 10917 H2 TIP3A3639 16.364 1.826 19.165 1.00 0.00 H +ATOM 10918 O1 TIP3A3640 14.463 5.956 38.233 1.00 0.00 O +ATOM 10919 H1 TIP3A3640 14.202 5.917 39.152 1.00 0.00 H +ATOM 10920 H2 TIP3A3640 13.653 6.151 37.761 1.00 0.00 H +ATOM 10921 O1 TIP3A3641 18.715 23.456 31.101 1.00 0.00 O +ATOM 10922 H1 TIP3A3641 18.896 22.531 30.937 1.00 0.00 H +ATOM 10923 H2 TIP3A3641 17.812 23.580 30.807 1.00 0.00 H +ATOM 10924 O1 TIP3A3642 39.333 12.796 12.989 1.00 0.00 O +ATOM 10925 H1 TIP3A3642 40.241 12.617 13.232 1.00 0.00 H +ATOM 10926 H2 TIP3A3642 38.900 13.009 13.816 1.00 0.00 H +ATOM 10927 O1 TIP3A3643 38.107 25.180 25.066 1.00 0.00 O +ATOM 10928 H1 TIP3A3643 37.532 25.938 24.970 1.00 0.00 H +ATOM 10929 H2 TIP3A3643 38.692 25.224 24.309 1.00 0.00 H +ATOM 10930 O1 TIP3A3644 26.598 22.485 15.302 1.00 0.00 O +ATOM 10931 H1 TIP3A3644 26.609 21.529 15.273 1.00 0.00 H +ATOM 10932 H2 TIP3A3644 27.111 22.707 16.080 1.00 0.00 H +ATOM 10933 O1 TIP3A3645 54.886 16.621 51.582 1.00 0.00 O +ATOM 10934 H1 TIP3A3645 54.541 16.044 50.900 1.00 0.00 H +ATOM 10935 H2 TIP3A3645 55.753 16.266 51.781 1.00 0.00 H +ATOM 10936 O1 TIP3A3646 25.837 52.273 35.474 1.00 0.00 O +ATOM 10937 H1 TIP3A3646 25.749 53.208 35.291 1.00 0.00 H +ATOM 10938 H2 TIP3A3646 24.953 51.990 35.708 1.00 0.00 H +ATOM 10939 O1 TIP3A3647 40.685 12.602 54.980 1.00 0.00 O +ATOM 10940 H1 TIP3A3647 40.257 12.738 54.136 1.00 0.00 H +ATOM 10941 H2 TIP3A3647 41.031 11.710 54.932 1.00 0.00 H +ATOM 10942 O1 TIP3A3648 5.783 7.558 1.114 1.00 0.00 O +ATOM 10943 H1 TIP3A3648 5.650 7.526 0.167 1.00 0.00 H +ATOM 10944 H2 TIP3A3648 6.219 8.397 1.267 1.00 0.00 H +ATOM 10945 O1 TIP3A3649 23.524 23.865 45.742 1.00 0.00 O +ATOM 10946 H1 TIP3A3649 23.484 23.979 44.793 1.00 0.00 H +ATOM 10947 H2 TIP3A3649 22.703 24.238 46.064 1.00 0.00 H +ATOM 10948 O1 TIP3A3650 4.242 26.615 35.795 1.00 0.00 O +ATOM 10949 H1 TIP3A3650 4.870 26.603 36.517 1.00 0.00 H +ATOM 10950 H2 TIP3A3650 3.472 26.160 36.138 1.00 0.00 H +ATOM 10951 O1 TIP3A3651 46.416 50.836 53.316 1.00 0.00 O +ATOM 10952 H1 TIP3A3651 45.504 50.561 53.400 1.00 0.00 H +ATOM 10953 H2 TIP3A3651 46.369 51.779 53.158 1.00 0.00 H +ATOM 10954 O1 TIP3A3652 17.040 41.433 16.888 1.00 0.00 O +ATOM 10955 H1 TIP3A3652 17.898 41.015 16.939 1.00 0.00 H +ATOM 10956 H2 TIP3A3652 17.225 42.329 16.603 1.00 0.00 H +ATOM 10957 O1 TIP3A3653 12.708 39.437 44.705 1.00 0.00 O +ATOM 10958 H1 TIP3A3653 13.003 39.656 45.589 1.00 0.00 H +ATOM 10959 H2 TIP3A3653 13.301 39.918 44.128 1.00 0.00 H +ATOM 10960 O1 TIP3A3654 49.406 56.119 8.342 1.00 0.00 O +ATOM 10961 H1 TIP3A3654 49.484 56.947 7.871 1.00 0.00 H +ATOM 10962 H2 TIP3A3654 49.807 55.473 7.760 1.00 0.00 H +ATOM 10963 O1 TIP3A3655 3.717 28.011 5.732 1.00 0.00 O +ATOM 10964 H1 TIP3A3655 3.692 28.416 6.598 1.00 0.00 H +ATOM 10965 H2 TIP3A3655 3.386 28.688 5.140 1.00 0.00 H +ATOM 10966 O1 TIP3A3656 10.530 29.106 28.727 1.00 0.00 O +ATOM 10967 H1 TIP3A3656 10.790 28.325 29.214 1.00 0.00 H +ATOM 10968 H2 TIP3A3656 10.582 29.816 29.367 1.00 0.00 H +ATOM 10969 O1 TIP3A3657 45.048 32.807 22.475 1.00 0.00 O +ATOM 10970 H1 TIP3A3657 44.696 31.948 22.705 1.00 0.00 H +ATOM 10971 H2 TIP3A3657 44.431 33.155 21.831 1.00 0.00 H +ATOM 10972 O1 TIP3A3658 0.545 7.893 6.705 1.00 0.00 O +ATOM 10973 H1 TIP3A3658 0.282 8.444 5.969 1.00 0.00 H +ATOM 10974 H2 TIP3A3658 0.233 8.361 7.480 1.00 0.00 H +ATOM 10975 O1 TIP3A3659 45.554 35.960 3.846 1.00 0.00 O +ATOM 10976 H1 TIP3A3659 45.037 36.698 3.525 1.00 0.00 H +ATOM 10977 H2 TIP3A3659 44.954 35.476 4.415 1.00 0.00 H +ATOM 10978 O1 TIP3A3660 33.946 35.128 40.190 1.00 0.00 O +ATOM 10979 H1 TIP3A3660 34.810 34.794 39.951 1.00 0.00 H +ATOM 10980 H2 TIP3A3660 33.336 34.457 39.884 1.00 0.00 H +ATOM 10981 O1 TIP3A3661 2.476 2.500 10.511 1.00 0.00 O +ATOM 10982 H1 TIP3A3661 3.189 3.134 10.439 1.00 0.00 H +ATOM 10983 H2 TIP3A3661 1.913 2.848 11.203 1.00 0.00 H +ATOM 10984 O1 TIP3A3662 6.067 56.114 44.528 1.00 0.00 O +ATOM 10985 H1 TIP3A3662 5.407 55.424 44.473 1.00 0.00 H +ATOM 10986 H2 TIP3A3662 6.903 55.647 44.534 1.00 0.00 H +ATOM 10987 O1 TIP3A3663 53.400 0.689 35.215 1.00 0.00 O +ATOM 10988 H1 TIP3A3663 52.587 1.195 35.212 1.00 0.00 H +ATOM 10989 H2 TIP3A3663 53.236 -0.024 35.832 1.00 0.00 H +ATOM 10990 O1 TIP3A3664 33.051 24.419 32.216 1.00 0.00 O +ATOM 10991 H1 TIP3A3664 32.634 23.574 32.051 1.00 0.00 H +ATOM 10992 H2 TIP3A3664 33.810 24.211 32.762 1.00 0.00 H +ATOM 10993 O1 TIP3A3665 36.177 39.579 52.026 1.00 0.00 O +ATOM 10994 H1 TIP3A3665 35.567 39.154 51.425 1.00 0.00 H +ATOM 10995 H2 TIP3A3665 35.634 39.850 52.767 1.00 0.00 H +ATOM 10996 O1 TIP3A3666 45.940 0.464 5.868 1.00 0.00 O +ATOM 10997 H1 TIP3A3666 46.770 -0.003 5.785 1.00 0.00 H +ATOM 10998 H2 TIP3A3666 45.849 0.630 6.807 1.00 0.00 H +ATOM 10999 O1 TIP3A3667 50.193 17.342 12.521 1.00 0.00 O +ATOM 11000 H1 TIP3A3667 49.440 16.937 12.950 1.00 0.00 H +ATOM 11001 H2 TIP3A3667 50.949 16.859 12.856 1.00 0.00 H +ATOM 11002 O1 TIP3A3668 36.332 5.646 34.383 1.00 0.00 O +ATOM 11003 H1 TIP3A3668 36.124 6.578 34.324 1.00 0.00 H +ATOM 11004 H2 TIP3A3668 35.755 5.314 35.071 1.00 0.00 H +ATOM 11005 O1 TIP3A3669 22.211 48.586 46.172 1.00 0.00 O +ATOM 11006 H1 TIP3A3669 21.417 48.139 46.463 1.00 0.00 H +ATOM 11007 H2 TIP3A3669 22.926 48.092 46.575 1.00 0.00 H +ATOM 11008 O1 TIP3A3670 58.009 52.421 47.533 1.00 0.00 O +ATOM 11009 H1 TIP3A3670 57.985 53.374 47.450 1.00 0.00 H +ATOM 11010 H2 TIP3A3670 57.789 52.254 48.450 1.00 0.00 H +ATOM 11011 O1 TIP3A3671 28.483 28.621 24.925 1.00 0.00 O +ATOM 11012 H1 TIP3A3671 27.840 27.919 25.013 1.00 0.00 H +ATOM 11013 H2 TIP3A3671 29.324 28.201 25.107 1.00 0.00 H +ATOM 11014 O1 TIP3A3672 36.872 20.107 38.489 1.00 0.00 O +ATOM 11015 H1 TIP3A3672 36.249 20.259 39.199 1.00 0.00 H +ATOM 11016 H2 TIP3A3672 36.944 20.953 38.046 1.00 0.00 H +ATOM 11017 O1 TIP3A3673 38.705 49.781 53.053 1.00 0.00 O +ATOM 11018 H1 TIP3A3673 38.126 49.601 52.313 1.00 0.00 H +ATOM 11019 H2 TIP3A3673 38.995 50.684 52.918 1.00 0.00 H +ATOM 11020 O1 TIP3A3674 2.569 52.384 31.317 1.00 0.00 O +ATOM 11021 H1 TIP3A3674 3.200 51.671 31.409 1.00 0.00 H +ATOM 11022 H2 TIP3A3674 3.106 53.158 31.146 1.00 0.00 H +ATOM 11023 O1 TIP3A3675 38.222 53.309 9.936 1.00 0.00 O +ATOM 11024 H1 TIP3A3675 39.171 53.424 9.970 1.00 0.00 H +ATOM 11025 H2 TIP3A3675 37.875 54.013 10.485 1.00 0.00 H +ATOM 11026 O1 TIP3A3676 30.210 12.768 32.174 1.00 0.00 O +ATOM 11027 H1 TIP3A3676 30.669 11.929 32.134 1.00 0.00 H +ATOM 11028 H2 TIP3A3676 29.346 12.587 31.804 1.00 0.00 H +ATOM 11029 O1 TIP3A3677 24.623 23.417 28.502 1.00 0.00 O +ATOM 11030 H1 TIP3A3677 25.032 22.576 28.300 1.00 0.00 H +ATOM 11031 H2 TIP3A3677 25.104 23.742 29.263 1.00 0.00 H +ATOM 11032 O1 TIP3A3678 21.451 52.542 42.364 1.00 0.00 O +ATOM 11033 H1 TIP3A3678 21.821 53.422 42.295 1.00 0.00 H +ATOM 11034 H2 TIP3A3678 20.651 52.658 42.878 1.00 0.00 H +ATOM 11035 O1 TIP3A3679 15.330 8.094 24.173 1.00 0.00 O +ATOM 11036 H1 TIP3A3679 16.223 8.405 24.321 1.00 0.00 H +ATOM 11037 H2 TIP3A3679 15.151 7.515 24.915 1.00 0.00 H +ATOM 11038 O1 TIP3A3680 51.270 30.139 49.381 1.00 0.00 O +ATOM 11039 H1 TIP3A3680 51.927 30.251 50.067 1.00 0.00 H +ATOM 11040 H2 TIP3A3680 51.580 30.686 48.659 1.00 0.00 H +ATOM 11041 O1 TIP3A3681 21.633 48.266 39.021 1.00 0.00 O +ATOM 11042 H1 TIP3A3681 21.410 47.386 39.325 1.00 0.00 H +ATOM 11043 H2 TIP3A3681 21.071 48.405 38.258 1.00 0.00 H +ATOM 11044 O1 TIP3A3682 55.377 4.483 49.946 1.00 0.00 O +ATOM 11045 H1 TIP3A3682 55.662 3.580 50.076 1.00 0.00 H +ATOM 11046 H2 TIP3A3682 56.107 5.014 50.266 1.00 0.00 H +ATOM 11047 O1 TIP3A3683 42.144 36.030 20.374 1.00 0.00 O +ATOM 11048 H1 TIP3A3683 41.587 36.397 21.060 1.00 0.00 H +ATOM 11049 H2 TIP3A3683 41.566 35.445 19.883 1.00 0.00 H +ATOM 11050 O1 TIP3A3684 30.306 44.781 1.996 1.00 0.00 O +ATOM 11051 H1 TIP3A3684 30.797 44.492 2.764 1.00 0.00 H +ATOM 11052 H2 TIP3A3684 29.631 44.111 1.877 1.00 0.00 H +ATOM 11053 O1 TIP3A3685 10.167 17.099 10.840 1.00 0.00 O +ATOM 11054 H1 TIP3A3685 11.060 17.442 10.830 1.00 0.00 H +ATOM 11055 H2 TIP3A3685 9.717 17.618 11.508 1.00 0.00 H +ATOM 11056 O1 TIP3A3686 33.406 10.327 30.895 1.00 0.00 O +ATOM 11057 H1 TIP3A3686 33.008 10.753 30.136 1.00 0.00 H +ATOM 11058 H2 TIP3A3686 32.692 9.826 31.291 1.00 0.00 H +ATOM 11059 O1 TIP3A3687 44.940 27.864 42.679 1.00 0.00 O +ATOM 11060 H1 TIP3A3687 44.342 27.344 43.214 1.00 0.00 H +ATOM 11061 H2 TIP3A3687 45.739 27.927 43.205 1.00 0.00 H +ATOM 11062 O1 TIP3A3688 43.067 33.860 32.441 1.00 0.00 O +ATOM 11063 H1 TIP3A3688 42.292 34.321 32.761 1.00 0.00 H +ATOM 11064 H2 TIP3A3688 42.769 32.962 32.292 1.00 0.00 H +ATOM 11065 O1 TIP3A3689 2.871 41.658 25.789 1.00 0.00 O +ATOM 11066 H1 TIP3A3689 1.924 41.781 25.720 1.00 0.00 H +ATOM 11067 H2 TIP3A3689 2.977 40.986 26.463 1.00 0.00 H +ATOM 11068 O1 TIP3A3690 26.774 40.713 27.963 1.00 0.00 O +ATOM 11069 H1 TIP3A3690 26.592 40.795 27.028 1.00 0.00 H +ATOM 11070 H2 TIP3A3690 27.629 40.283 28.004 1.00 0.00 H +ATOM 11071 O1 TIP3A3691 18.350 20.180 29.759 1.00 0.00 O +ATOM 11072 H1 TIP3A3691 17.497 19.760 29.654 1.00 0.00 H +ATOM 11073 H2 TIP3A3691 18.805 19.642 30.407 1.00 0.00 H +ATOM 11074 O1 TIP3A3692 44.696 25.038 15.474 1.00 0.00 O +ATOM 11075 H1 TIP3A3692 45.081 25.642 16.108 1.00 0.00 H +ATOM 11076 H2 TIP3A3692 45.424 24.478 15.203 1.00 0.00 H +ATOM 11077 O1 TIP3A3693 36.673 33.582 0.394 1.00 0.00 O +ATOM 11078 H1 TIP3A3693 36.810 34.527 0.344 1.00 0.00 H +ATOM 11079 H2 TIP3A3693 35.807 33.486 0.791 1.00 0.00 H +ATOM 11080 O1 TIP3A3694 13.492 35.014 43.197 1.00 0.00 O +ATOM 11081 H1 TIP3A3694 14.004 35.776 42.926 1.00 0.00 H +ATOM 11082 H2 TIP3A3694 13.105 34.684 42.386 1.00 0.00 H +ATOM 11083 O1 TIP3A3695 53.899 20.565 22.490 1.00 0.00 O +ATOM 11084 H1 TIP3A3695 52.991 20.322 22.665 1.00 0.00 H +ATOM 11085 H2 TIP3A3695 54.361 20.370 23.306 1.00 0.00 H +ATOM 11086 O1 TIP3A3696 33.798 15.293 7.166 1.00 0.00 O +ATOM 11087 H1 TIP3A3696 33.094 14.647 7.108 1.00 0.00 H +ATOM 11088 H2 TIP3A3696 34.334 14.999 7.903 1.00 0.00 H +ATOM 11089 O1 TIP3A3697 35.282 52.434 9.849 1.00 0.00 O +ATOM 11090 H1 TIP3A3697 35.946 52.165 10.483 1.00 0.00 H +ATOM 11091 H2 TIP3A3697 34.519 51.893 10.056 1.00 0.00 H +ATOM 11092 O1 TIP3A3698 46.763 54.294 34.285 1.00 0.00 O +ATOM 11093 H1 TIP3A3698 46.095 54.089 33.632 1.00 0.00 H +ATOM 11094 H2 TIP3A3698 46.271 54.436 35.095 1.00 0.00 H +ATOM 11095 O1 TIP3A3699 7.959 21.638 11.216 1.00 0.00 O +ATOM 11096 H1 TIP3A3699 8.594 22.348 11.124 1.00 0.00 H +ATOM 11097 H2 TIP3A3699 8.299 20.938 10.658 1.00 0.00 H +ATOM 11098 O1 TIP3A3700 38.242 36.264 28.258 1.00 0.00 O +ATOM 11099 H1 TIP3A3700 38.317 37.217 28.219 1.00 0.00 H +ATOM 11100 H2 TIP3A3700 37.298 36.098 28.270 1.00 0.00 H +ATOM 11101 O1 TIP3A3701 44.527 44.519 25.449 1.00 0.00 O +ATOM 11102 H1 TIP3A3701 45.053 43.872 24.981 1.00 0.00 H +ATOM 11103 H2 TIP3A3701 45.143 45.221 25.662 1.00 0.00 H +ATOM 11104 O1 TIP3A3702 31.865 16.095 34.864 1.00 0.00 O +ATOM 11105 H1 TIP3A3702 32.012 15.944 33.931 1.00 0.00 H +ATOM 11106 H2 TIP3A3702 31.388 16.925 34.901 1.00 0.00 H +ATOM 11107 O1 TIP3A3703 30.402 13.528 42.978 1.00 0.00 O +ATOM 11108 H1 TIP3A3703 30.235 13.607 43.916 1.00 0.00 H +ATOM 11109 H2 TIP3A3703 30.592 14.422 42.691 1.00 0.00 H +ATOM 11110 O1 TIP3A3704 39.898 21.499 56.399 1.00 0.00 O +ATOM 11111 H1 TIP3A3704 40.140 21.984 57.187 1.00 0.00 H +ATOM 11112 H2 TIP3A3704 40.605 20.863 56.283 1.00 0.00 H +ATOM 11113 O1 TIP3A3705 34.659 47.185 2.917 1.00 0.00 O +ATOM 11114 H1 TIP3A3705 34.223 48.004 3.149 1.00 0.00 H +ATOM 11115 H2 TIP3A3705 34.709 47.202 1.960 1.00 0.00 H +ATOM 11116 O1 TIP3A3706 0.811 45.700 8.607 1.00 0.00 O +ATOM 11117 H1 TIP3A3706 0.384 44.846 8.664 1.00 0.00 H +ATOM 11118 H2 TIP3A3706 1.514 45.660 9.256 1.00 0.00 H +ATOM 11119 O1 TIP3A3707 35.664 2.569 0.107 1.00 0.00 O +ATOM 11120 H1 TIP3A3707 35.366 1.667 -0.011 1.00 0.00 H +ATOM 11121 H2 TIP3A3707 34.875 3.099 -0.008 1.00 0.00 H +ATOM 11122 O1 TIP3A3708 13.848 23.934 19.109 1.00 0.00 O +ATOM 11123 H1 TIP3A3708 13.479 24.774 19.377 1.00 0.00 H +ATOM 11124 H2 TIP3A3708 14.128 23.522 19.927 1.00 0.00 H +ATOM 11125 O1 TIP3A3709 51.530 41.840 53.138 1.00 0.00 O +ATOM 11126 H1 TIP3A3709 51.584 42.252 54.000 1.00 0.00 H +ATOM 11127 H2 TIP3A3709 52.424 41.553 52.953 1.00 0.00 H +ATOM 11128 O1 TIP3A3710 30.753 16.391 45.133 1.00 0.00 O +ATOM 11129 H1 TIP3A3710 31.592 16.850 45.129 1.00 0.00 H +ATOM 11130 H2 TIP3A3710 30.845 15.715 44.462 1.00 0.00 H +ATOM 11131 O1 TIP3A3711 40.645 33.909 15.184 1.00 0.00 O +ATOM 11132 H1 TIP3A3711 41.442 33.693 15.668 1.00 0.00 H +ATOM 11133 H2 TIP3A3711 40.938 34.504 14.493 1.00 0.00 H +ATOM 11134 O1 TIP3A3712 15.657 44.457 3.626 1.00 0.00 O +ATOM 11135 H1 TIP3A3712 15.434 43.541 3.789 1.00 0.00 H +ATOM 11136 H2 TIP3A3712 15.143 44.695 2.853 1.00 0.00 H +ATOM 11137 O1 TIP3A3713 7.780 48.115 39.718 1.00 0.00 O +ATOM 11138 H1 TIP3A3713 6.944 48.509 39.472 1.00 0.00 H +ATOM 11139 H2 TIP3A3713 7.633 47.171 39.642 1.00 0.00 H +ATOM 11140 O1 TIP3A3714 3.804 56.105 3.465 1.00 0.00 O +ATOM 11141 H1 TIP3A3714 4.720 56.226 3.215 1.00 0.00 H +ATOM 11142 H2 TIP3A3714 3.519 55.339 2.967 1.00 0.00 H +ATOM 11143 O1 TIP3A3715 47.069 55.575 40.812 1.00 0.00 O +ATOM 11144 H1 TIP3A3715 46.498 55.386 40.069 1.00 0.00 H +ATOM 11145 H2 TIP3A3715 46.873 54.886 41.448 1.00 0.00 H +ATOM 11146 O1 TIP3A3716 45.440 30.906 15.060 1.00 0.00 O +ATOM 11147 H1 TIP3A3716 46.192 31.289 15.510 1.00 0.00 H +ATOM 11148 H2 TIP3A3716 45.759 30.716 14.177 1.00 0.00 H +ATOM 11149 O1 TIP3A3717 44.475 5.329 42.772 1.00 0.00 O +ATOM 11150 H1 TIP3A3717 43.850 5.975 42.445 1.00 0.00 H +ATOM 11151 H2 TIP3A3717 45.211 5.377 42.161 1.00 0.00 H +ATOM 11152 O1 TIP3A3718 38.853 36.729 39.525 1.00 0.00 O +ATOM 11153 H1 TIP3A3718 39.767 36.870 39.771 1.00 0.00 H +ATOM 11154 H2 TIP3A3718 38.898 36.210 38.721 1.00 0.00 H +ATOM 11155 O1 TIP3A3719 39.450 11.796 28.638 1.00 0.00 O +ATOM 11156 H1 TIP3A3719 40.342 12.111 28.780 1.00 0.00 H +ATOM 11157 H2 TIP3A3719 39.292 11.187 29.360 1.00 0.00 H +ATOM 11158 O1 TIP3A3720 13.265 9.017 3.164 1.00 0.00 O +ATOM 11159 H1 TIP3A3720 13.617 8.175 2.876 1.00 0.00 H +ATOM 11160 H2 TIP3A3720 12.495 9.156 2.611 1.00 0.00 H +ATOM 11161 O1 TIP3A3721 35.752 15.360 16.687 1.00 0.00 O +ATOM 11162 H1 TIP3A3721 35.952 15.017 17.557 1.00 0.00 H +ATOM 11163 H2 TIP3A3721 34.926 14.939 16.447 1.00 0.00 H +ATOM 11164 O1 TIP3A3722 14.215 39.709 29.663 1.00 0.00 O +ATOM 11165 H1 TIP3A3722 14.166 40.581 30.053 1.00 0.00 H +ATOM 11166 H2 TIP3A3722 15.011 39.325 30.032 1.00 0.00 H +ATOM 11167 O1 TIP3A3723 57.227 20.697 45.528 1.00 0.00 O +ATOM 11168 H1 TIP3A3723 57.914 20.382 46.114 1.00 0.00 H +ATOM 11169 H2 TIP3A3723 56.661 21.232 46.086 1.00 0.00 H +ATOM 11170 O1 TIP3A3724 9.189 37.913 34.725 1.00 0.00 O +ATOM 11171 H1 TIP3A3724 9.536 37.568 35.547 1.00 0.00 H +ATOM 11172 H2 TIP3A3724 8.343 38.294 34.963 1.00 0.00 H +ATOM 11173 O1 TIP3A3725 24.310 28.374 39.251 1.00 0.00 O +ATOM 11174 H1 TIP3A3725 23.838 28.748 39.994 1.00 0.00 H +ATOM 11175 H2 TIP3A3725 23.723 27.698 38.910 1.00 0.00 H +ATOM 11176 O1 TIP3A3726 0.135 41.050 6.795 1.00 0.00 O +ATOM 11177 H1 TIP3A3726 0.000 41.758 7.424 1.00 0.00 H +ATOM 11178 H2 TIP3A3726 1.079 41.050 6.631 1.00 0.00 H +ATOM 11179 O1 TIP3A3727 51.572 42.521 8.293 1.00 0.00 O +ATOM 11180 H1 TIP3A3727 51.526 43.463 8.129 1.00 0.00 H +ATOM 11181 H2 TIP3A3727 52.502 42.308 8.212 1.00 0.00 H +ATOM 11182 O1 TIP3A3728 37.157 21.307 42.086 1.00 0.00 O +ATOM 11183 H1 TIP3A3728 38.038 21.644 42.241 1.00 0.00 H +ATOM 11184 H2 TIP3A3728 36.658 22.067 41.785 1.00 0.00 H +ATOM 11185 O1 TIP3A3729 5.918 39.036 43.338 1.00 0.00 O +ATOM 11186 H1 TIP3A3729 5.105 39.499 43.539 1.00 0.00 H +ATOM 11187 H2 TIP3A3729 6.507 39.717 43.010 1.00 0.00 H +ATOM 11188 O1 TIP3A3730 49.441 44.030 18.684 1.00 0.00 O +ATOM 11189 H1 TIP3A3730 49.509 44.315 19.594 1.00 0.00 H +ATOM 11190 H2 TIP3A3730 48.556 44.283 18.419 1.00 0.00 H +ATOM 11191 O1 TIP3A3731 36.839 56.122 44.265 1.00 0.00 O +ATOM 11192 H1 TIP3A3731 36.712 55.357 44.826 1.00 0.00 H +ATOM 11193 H2 TIP3A3731 36.313 56.810 44.674 1.00 0.00 H +ATOM 11194 O1 TIP3A3732 13.736 55.640 29.281 1.00 0.00 O +ATOM 11195 H1 TIP3A3732 13.023 55.023 29.439 1.00 0.00 H +ATOM 11196 H2 TIP3A3732 14.155 55.747 30.135 1.00 0.00 H +ATOM 11197 O1 TIP3A3733 40.725 36.264 3.544 1.00 0.00 O +ATOM 11198 H1 TIP3A3733 40.680 36.022 4.468 1.00 0.00 H +ATOM 11199 H2 TIP3A3733 40.980 37.187 3.549 1.00 0.00 H +ATOM 11200 O1 TIP3A3734 15.514 7.850 11.406 1.00 0.00 O +ATOM 11201 H1 TIP3A3734 14.572 7.928 11.553 1.00 0.00 H +ATOM 11202 H2 TIP3A3734 15.874 8.686 11.704 1.00 0.00 H +ATOM 11203 O1 TIP3A3735 16.507 6.059 37.416 1.00 0.00 O +ATOM 11204 H1 TIP3A3735 17.433 6.241 37.574 1.00 0.00 H +ATOM 11205 H2 TIP3A3735 16.502 5.489 36.646 1.00 0.00 H +ATOM 11206 O1 TIP3A3736 27.814 42.555 21.067 1.00 0.00 O +ATOM 11207 H1 TIP3A3736 28.713 42.300 20.865 1.00 0.00 H +ATOM 11208 H2 TIP3A3736 27.707 42.345 21.995 1.00 0.00 H +ATOM 11209 O1 TIP3A3737 54.089 25.522 18.410 1.00 0.00 O +ATOM 11210 H1 TIP3A3737 53.382 25.782 17.820 1.00 0.00 H +ATOM 11211 H2 TIP3A3737 54.607 24.896 17.903 1.00 0.00 H +ATOM 11212 O1 TIP3A3738 52.413 32.838 26.732 1.00 0.00 O +ATOM 11213 H1 TIP3A3738 53.362 32.841 26.609 1.00 0.00 H +ATOM 11214 H2 TIP3A3738 52.169 33.764 26.740 1.00 0.00 H +ATOM 11215 O1 TIP3A3739 37.166 48.317 13.236 1.00 0.00 O +ATOM 11216 H1 TIP3A3739 37.103 49.269 13.167 1.00 0.00 H +ATOM 11217 H2 TIP3A3739 37.679 48.055 12.470 1.00 0.00 H +ATOM 11218 O1 TIP3A3740 49.715 51.059 19.887 1.00 0.00 O +ATOM 11219 H1 TIP3A3740 50.360 51.587 20.357 1.00 0.00 H +ATOM 11220 H2 TIP3A3740 48.881 51.269 20.307 1.00 0.00 H +ATOM 11221 O1 TIP3A3741 8.414 10.878 43.695 1.00 0.00 O +ATOM 11222 H1 TIP3A3741 8.208 11.812 43.707 1.00 0.00 H +ATOM 11223 H2 TIP3A3741 7.808 10.490 44.327 1.00 0.00 H +ATOM 11224 O1 TIP3A3742 50.707 37.842 47.514 1.00 0.00 O +ATOM 11225 H1 TIP3A3742 51.240 37.232 47.006 1.00 0.00 H +ATOM 11226 H2 TIP3A3742 51.220 38.007 48.306 1.00 0.00 H +ATOM 11227 O1 TIP3A3743 40.498 44.375 0.353 1.00 0.00 O +ATOM 11228 H1 TIP3A3743 40.299 44.280 1.283 1.00 0.00 H +ATOM 11229 H2 TIP3A3743 41.093 43.651 0.158 1.00 0.00 H +ATOM 11230 O1 TIP3A3744 39.994 21.828 20.456 1.00 0.00 O +ATOM 11231 H1 TIP3A3744 39.521 22.510 20.931 1.00 0.00 H +ATOM 11232 H2 TIP3A3744 39.547 21.769 19.611 1.00 0.00 H +ATOM 11233 O1 TIP3A3745 14.664 12.011 10.280 1.00 0.00 O +ATOM 11234 H1 TIP3A3745 14.626 12.965 10.230 1.00 0.00 H +ATOM 11235 H2 TIP3A3745 15.338 11.764 9.646 1.00 0.00 H +ATOM 11236 O1 TIP3A3746 2.365 13.991 17.388 1.00 0.00 O +ATOM 11237 H1 TIP3A3746 2.378 14.648 16.694 1.00 0.00 H +ATOM 11238 H2 TIP3A3746 2.200 14.490 18.189 1.00 0.00 H +ATOM 11239 O1 TIP3A3747 16.216 3.670 22.212 1.00 0.00 O +ATOM 11240 H1 TIP3A3747 17.134 3.681 21.942 1.00 0.00 H +ATOM 11241 H2 TIP3A3747 15.857 2.878 21.810 1.00 0.00 H +ATOM 11242 O1 TIP3A3748 11.841 13.612 50.815 1.00 0.00 O +ATOM 11243 H1 TIP3A3748 12.451 13.230 50.185 1.00 0.00 H +ATOM 11244 H2 TIP3A3748 10.984 13.269 50.557 1.00 0.00 H +ATOM 11245 O1 TIP3A3749 3.228 26.532 3.604 1.00 0.00 O +ATOM 11246 H1 TIP3A3749 2.908 26.264 4.465 1.00 0.00 H +ATOM 11247 H2 TIP3A3749 2.557 27.130 3.274 1.00 0.00 H +ATOM 11248 O1 TIP3A3750 24.544 13.619 9.424 1.00 0.00 O +ATOM 11249 H1 TIP3A3750 24.469 14.567 9.320 1.00 0.00 H +ATOM 11250 H2 TIP3A3750 24.201 13.445 10.301 1.00 0.00 H +ATOM 11251 O1 TIP3A3751 50.408 30.131 19.986 1.00 0.00 O +ATOM 11252 H1 TIP3A3751 49.793 29.400 19.939 1.00 0.00 H +ATOM 11253 H2 TIP3A3751 50.070 30.770 19.358 1.00 0.00 H +ATOM 11254 O1 TIP3A3752 21.826 28.020 50.969 1.00 0.00 O +ATOM 11255 H1 TIP3A3752 20.927 27.816 50.715 1.00 0.00 H +ATOM 11256 H2 TIP3A3752 22.190 27.183 51.260 1.00 0.00 H +ATOM 11257 O1 TIP3A3753 23.806 39.158 19.104 1.00 0.00 O +ATOM 11258 H1 TIP3A3753 23.072 38.855 19.637 1.00 0.00 H +ATOM 11259 H2 TIP3A3753 24.488 38.499 19.238 1.00 0.00 H +ATOM 11260 O1 TIP3A3754 11.664 35.432 35.790 1.00 0.00 O +ATOM 11261 H1 TIP3A3754 10.733 35.640 35.860 1.00 0.00 H +ATOM 11262 H2 TIP3A3754 11.991 36.018 35.107 1.00 0.00 H +ATOM 11263 O1 TIP3A3755 33.369 36.027 11.456 1.00 0.00 O +ATOM 11264 H1 TIP3A3755 34.292 35.783 11.395 1.00 0.00 H +ATOM 11265 H2 TIP3A3755 33.360 36.789 12.036 1.00 0.00 H +ATOM 11266 O1 TIP3A3756 46.869 53.095 27.142 1.00 0.00 O +ATOM 11267 H1 TIP3A3756 46.863 52.192 27.459 1.00 0.00 H +ATOM 11268 H2 TIP3A3756 47.215 53.605 27.875 1.00 0.00 H +ATOM 11269 O1 TIP3A3757 16.230 17.391 53.773 1.00 0.00 O +ATOM 11270 H1 TIP3A3757 15.593 17.765 53.166 1.00 0.00 H +ATOM 11271 H2 TIP3A3757 16.283 16.467 53.527 1.00 0.00 H +ATOM 11272 O1 TIP3A3758 52.028 12.901 1.830 1.00 0.00 O +ATOM 11273 H1 TIP3A3758 51.667 12.154 1.353 1.00 0.00 H +ATOM 11274 H2 TIP3A3758 52.129 13.584 1.165 1.00 0.00 H +ATOM 11275 O1 TIP3A3759 38.701 53.333 2.662 1.00 0.00 O +ATOM 11276 H1 TIP3A3759 38.426 53.754 3.476 1.00 0.00 H +ATOM 11277 H2 TIP3A3759 39.513 53.779 2.422 1.00 0.00 H +ATOM 11278 O1 TIP3A3760 1.232 12.229 19.986 1.00 0.00 O +ATOM 11279 H1 TIP3A3760 1.089 13.156 20.175 1.00 0.00 H +ATOM 11280 H2 TIP3A3760 1.828 12.226 19.237 1.00 0.00 H +ATOM 11281 O1 TIP3A3761 36.590 10.842 9.537 1.00 0.00 O +ATOM 11282 H1 TIP3A3761 35.644 10.791 9.668 1.00 0.00 H +ATOM 11283 H2 TIP3A3761 36.942 11.054 10.402 1.00 0.00 H +ATOM 11284 O1 TIP3A3762 44.444 53.201 54.314 1.00 0.00 O +ATOM 11285 H1 TIP3A3762 45.380 53.393 54.280 1.00 0.00 H +ATOM 11286 H2 TIP3A3762 44.348 52.383 53.825 1.00 0.00 H +ATOM 11287 O1 TIP3A3763 42.256 32.462 34.523 1.00 0.00 O +ATOM 11288 H1 TIP3A3763 41.590 33.075 34.832 1.00 0.00 H +ATOM 11289 H2 TIP3A3763 42.562 32.021 35.317 1.00 0.00 H +ATOM 11290 O1 TIP3A3764 33.647 31.656 4.877 1.00 0.00 O +ATOM 11291 H1 TIP3A3764 34.090 31.283 5.639 1.00 0.00 H +ATOM 11292 H2 TIP3A3764 33.541 32.583 5.091 1.00 0.00 H +ATOM 11293 O1 TIP3A3765 9.896 51.738 50.529 1.00 0.00 O +ATOM 11294 H1 TIP3A3765 9.659 51.345 51.368 1.00 0.00 H +ATOM 11295 H2 TIP3A3765 9.097 51.680 50.003 1.00 0.00 H +ATOM 11296 O1 TIP3A3766 14.093 31.211 25.998 1.00 0.00 O +ATOM 11297 H1 TIP3A3766 15.046 31.240 25.930 1.00 0.00 H +ATOM 11298 H2 TIP3A3766 13.925 30.887 26.883 1.00 0.00 H +ATOM 11299 O1 TIP3A3767 53.836 42.630 6.411 1.00 0.00 O +ATOM 11300 H1 TIP3A3767 54.615 42.568 5.859 1.00 0.00 H +ATOM 11301 H2 TIP3A3767 53.349 41.826 6.230 1.00 0.00 H +ATOM 11302 O1 TIP3A3768 34.451 2.838 7.288 1.00 0.00 O +ATOM 11303 H1 TIP3A3768 35.154 3.434 7.032 1.00 0.00 H +ATOM 11304 H2 TIP3A3768 33.968 3.312 7.966 1.00 0.00 H +ATOM 11305 O1 TIP3A3769 45.629 48.688 49.633 1.00 0.00 O +ATOM 11306 H1 TIP3A3769 44.720 48.814 49.363 1.00 0.00 H +ATOM 11307 H2 TIP3A3769 45.583 48.036 50.333 1.00 0.00 H +ATOM 11308 O1 TIP3A3770 55.237 9.894 21.781 1.00 0.00 O +ATOM 11309 H1 TIP3A3770 55.774 10.532 22.250 1.00 0.00 H +ATOM 11310 H2 TIP3A3770 54.442 9.814 22.308 1.00 0.00 H +ATOM 11311 O1 TIP3A3771 22.882 57.096 51.907 1.00 0.00 O +ATOM 11312 H1 TIP3A3771 22.854 57.539 51.059 1.00 0.00 H +ATOM 11313 H2 TIP3A3771 22.680 57.783 52.543 1.00 0.00 H +ATOM 11314 O1 TIP3A3772 7.741 42.157 51.596 1.00 0.00 O +ATOM 11315 H1 TIP3A3772 7.379 41.797 52.405 1.00 0.00 H +ATOM 11316 H2 TIP3A3772 8.398 41.516 51.321 1.00 0.00 H +ATOM 11317 O1 TIP3A3773 17.502 27.460 21.778 1.00 0.00 O +ATOM 11318 H1 TIP3A3773 17.893 28.155 21.251 1.00 0.00 H +ATOM 11319 H2 TIP3A3773 17.290 27.882 22.612 1.00 0.00 H +ATOM 11320 O1 TIP3A3774 11.985 45.154 20.911 1.00 0.00 O +ATOM 11321 H1 TIP3A3774 12.094 45.751 21.650 1.00 0.00 H +ATOM 11322 H2 TIP3A3774 11.569 44.378 21.289 1.00 0.00 H +ATOM 11323 O1 TIP3A3775 3.321 45.569 17.496 1.00 0.00 O +ATOM 11324 H1 TIP3A3775 4.070 46.163 17.448 1.00 0.00 H +ATOM 11325 H2 TIP3A3775 3.575 44.818 16.959 1.00 0.00 H +ATOM 11326 O1 TIP3A3776 28.524 23.716 43.604 1.00 0.00 O +ATOM 11327 H1 TIP3A3776 28.081 23.845 44.442 1.00 0.00 H +ATOM 11328 H2 TIP3A3776 27.923 24.086 42.956 1.00 0.00 H +ATOM 11329 O1 TIP3A3777 25.321 4.601 49.831 1.00 0.00 O +ATOM 11330 H1 TIP3A3777 24.550 4.034 49.826 1.00 0.00 H +ATOM 11331 H2 TIP3A3777 26.008 4.075 49.421 1.00 0.00 H +ATOM 11332 O1 TIP3A3778 20.783 47.846 30.113 1.00 0.00 O +ATOM 11333 H1 TIP3A3778 21.206 47.896 29.257 1.00 0.00 H +ATOM 11334 H2 TIP3A3778 21.498 47.670 30.725 1.00 0.00 H +ATOM 11335 O1 TIP3A3779 46.627 37.678 46.888 1.00 0.00 O +ATOM 11336 H1 TIP3A3779 46.703 38.623 46.760 1.00 0.00 H +ATOM 11337 H2 TIP3A3779 47.259 37.301 46.275 1.00 0.00 H +ATOM 11338 O1 TIP3A3780 50.060 48.341 4.985 1.00 0.00 O +ATOM 11339 H1 TIP3A3780 49.148 48.630 4.981 1.00 0.00 H +ATOM 11340 H2 TIP3A3780 50.148 47.834 5.792 1.00 0.00 H +ATOM 11341 O1 TIP3A3781 10.778 50.578 21.079 1.00 0.00 O +ATOM 11342 H1 TIP3A3781 10.088 50.982 20.554 1.00 0.00 H +ATOM 11343 H2 TIP3A3781 10.492 50.698 21.985 1.00 0.00 H +ATOM 11344 O1 TIP3A3782 9.456 9.822 36.916 1.00 0.00 O +ATOM 11345 H1 TIP3A3782 9.324 10.277 37.747 1.00 0.00 H +ATOM 11346 H2 TIP3A3782 8.816 10.215 36.322 1.00 0.00 H +ATOM 11347 O1 TIP3A3783 11.342 36.156 0.873 1.00 0.00 O +ATOM 11348 H1 TIP3A3783 10.673 36.834 0.789 1.00 0.00 H +ATOM 11349 H2 TIP3A3783 11.663 36.024 -0.020 1.00 0.00 H +ATOM 11350 O1 TIP3A3784 47.399 25.252 39.415 1.00 0.00 O +ATOM 11351 H1 TIP3A3784 46.515 24.889 39.356 1.00 0.00 H +ATOM 11352 H2 TIP3A3784 47.591 25.264 40.353 1.00 0.00 H +ATOM 11353 O1 TIP3A3785 33.573 44.069 43.612 1.00 0.00 O +ATOM 11354 H1 TIP3A3785 34.434 44.485 43.578 1.00 0.00 H +ATOM 11355 H2 TIP3A3785 32.972 44.735 43.277 1.00 0.00 H +ATOM 11356 O1 TIP3A3786 25.342 23.645 33.737 1.00 0.00 O +ATOM 11357 H1 TIP3A3786 25.303 22.950 33.081 1.00 0.00 H +ATOM 11358 H2 TIP3A3786 24.919 24.395 33.318 1.00 0.00 H +ATOM 11359 O1 TIP3A3787 28.050 45.037 42.511 1.00 0.00 O +ATOM 11360 H1 TIP3A3787 28.926 45.249 42.192 1.00 0.00 H +ATOM 11361 H2 TIP3A3787 28.184 44.773 43.422 1.00 0.00 H +ATOM 11362 O1 TIP3A3788 15.345 -0.012 37.861 1.00 0.00 O +ATOM 11363 H1 TIP3A3788 14.858 0.734 38.210 1.00 0.00 H +ATOM 11364 H2 TIP3A3788 15.911 0.366 37.187 1.00 0.00 H +ATOM 11365 O1 TIP3A3789 51.687 20.968 16.261 1.00 0.00 O +ATOM 11366 H1 TIP3A3789 51.063 21.096 16.974 1.00 0.00 H +ATOM 11367 H2 TIP3A3789 51.146 20.729 15.508 1.00 0.00 H +ATOM 11368 O1 TIP3A3790 4.817 22.717 42.323 1.00 0.00 O +ATOM 11369 H1 TIP3A3790 3.866 22.729 42.225 1.00 0.00 H +ATOM 11370 H2 TIP3A3790 5.129 23.387 41.713 1.00 0.00 H +ATOM 11371 O1 TIP3A3791 8.163 55.995 54.672 1.00 0.00 O +ATOM 11372 H1 TIP3A3791 8.077 55.090 54.373 1.00 0.00 H +ATOM 11373 H2 TIP3A3791 7.570 56.492 54.106 1.00 0.00 H +ATOM 11374 O1 TIP3A3792 49.298 18.253 8.308 1.00 0.00 O +ATOM 11375 H1 TIP3A3792 48.942 18.362 9.189 1.00 0.00 H +ATOM 11376 H2 TIP3A3792 49.821 17.452 8.358 1.00 0.00 H +ATOM 11377 O1 TIP3A3793 31.964 14.514 40.083 1.00 0.00 O +ATOM 11378 H1 TIP3A3793 32.279 14.506 40.986 1.00 0.00 H +ATOM 11379 H2 TIP3A3793 31.015 14.403 40.158 1.00 0.00 H +ATOM 11380 O1 TIP3A3794 4.638 29.558 20.874 1.00 0.00 O +ATOM 11381 H1 TIP3A3794 4.271 29.345 21.731 1.00 0.00 H +ATOM 11382 H2 TIP3A3794 4.130 30.313 20.576 1.00 0.00 H +ATOM 11383 O1 TIP3A3795 15.659 36.908 37.773 1.00 0.00 O +ATOM 11384 H1 TIP3A3795 14.950 36.270 37.699 1.00 0.00 H +ATOM 11385 H2 TIP3A3795 15.382 37.640 37.223 1.00 0.00 H +ATOM 11386 O1 TIP3A3796 23.194 49.061 12.435 1.00 0.00 O +ATOM 11387 H1 TIP3A3796 23.025 48.718 11.558 1.00 0.00 H +ATOM 11388 H2 TIP3A3796 23.471 48.297 12.942 1.00 0.00 H +ATOM 11389 O1 TIP3A3797 43.526 21.683 34.831 1.00 0.00 O +ATOM 11390 H1 TIP3A3797 43.431 22.608 35.054 1.00 0.00 H +ATOM 11391 H2 TIP3A3797 44.104 21.678 34.068 1.00 0.00 H +ATOM 11392 O1 TIP3A3798 9.330 12.394 5.055 1.00 0.00 O +ATOM 11393 H1 TIP3A3798 8.392 12.568 4.992 1.00 0.00 H +ATOM 11394 H2 TIP3A3798 9.536 11.893 4.265 1.00 0.00 H +ATOM 11395 O1 TIP3A3799 26.303 0.913 20.744 1.00 0.00 O +ATOM 11396 H1 TIP3A3799 27.010 0.272 20.814 1.00 0.00 H +ATOM 11397 H2 TIP3A3799 26.473 1.537 21.450 1.00 0.00 H +ATOM 11398 O1 TIP3A3800 2.162 10.772 17.040 1.00 0.00 O +ATOM 11399 H1 TIP3A3800 1.227 10.695 17.228 1.00 0.00 H +ATOM 11400 H2 TIP3A3800 2.338 11.713 17.083 1.00 0.00 H +ATOM 11401 O1 TIP3A3801 6.659 12.415 6.521 1.00 0.00 O +ATOM 11402 H1 TIP3A3801 6.759 11.493 6.758 1.00 0.00 H +ATOM 11403 H2 TIP3A3801 6.471 12.857 7.349 1.00 0.00 H +ATOM 11404 O1 TIP3A3802 36.717 38.497 55.603 1.00 0.00 O +ATOM 11405 H1 TIP3A3802 37.557 38.049 55.513 1.00 0.00 H +ATOM 11406 H2 TIP3A3802 36.173 38.131 54.905 1.00 0.00 H +ATOM 11407 O1 TIP3A3803 21.758 52.279 9.548 1.00 0.00 O +ATOM 11408 H1 TIP3A3803 22.248 52.067 8.754 1.00 0.00 H +ATOM 11409 H2 TIP3A3803 22.064 53.153 9.793 1.00 0.00 H +ATOM 11410 O1 TIP3A3804 40.574 51.986 4.281 1.00 0.00 O +ATOM 11411 H1 TIP3A3804 39.637 51.797 4.315 1.00 0.00 H +ATOM 11412 H2 TIP3A3804 40.752 52.151 3.354 1.00 0.00 H +ATOM 11413 O1 TIP3A3805 45.646 49.593 15.674 1.00 0.00 O +ATOM 11414 H1 TIP3A3805 46.588 49.718 15.779 1.00 0.00 H +ATOM 11415 H2 TIP3A3805 45.567 48.835 15.095 1.00 0.00 H +ATOM 11416 O1 TIP3A3806 2.717 21.715 4.010 1.00 0.00 O +ATOM 11417 H1 TIP3A3806 3.623 21.408 4.027 1.00 0.00 H +ATOM 11418 H2 TIP3A3806 2.692 22.424 4.653 1.00 0.00 H +ATOM 11419 O1 TIP3A3807 50.955 2.688 54.116 1.00 0.00 O +ATOM 11420 H1 TIP3A3807 51.783 2.287 54.378 1.00 0.00 H +ATOM 11421 H2 TIP3A3807 51.210 3.425 53.560 1.00 0.00 H +ATOM 11422 O1 TIP3A3808 37.960 36.735 10.242 1.00 0.00 O +ATOM 11423 H1 TIP3A3808 38.572 36.000 10.244 1.00 0.00 H +ATOM 11424 H2 TIP3A3808 37.274 36.474 9.626 1.00 0.00 H +ATOM 11425 O1 TIP3A3809 50.484 0.667 44.832 1.00 0.00 O +ATOM 11426 H1 TIP3A3809 49.972 1.475 44.790 1.00 0.00 H +ATOM 11427 H2 TIP3A3809 51.177 0.788 44.183 1.00 0.00 H +ATOM 11428 O1 TIP3A3810 51.861 11.892 34.837 1.00 0.00 O +ATOM 11429 H1 TIP3A3810 52.509 11.204 34.986 1.00 0.00 H +ATOM 11430 H2 TIP3A3810 52.197 12.647 35.321 1.00 0.00 H +ATOM 11431 O1 TIP3A3811 22.464 12.212 50.216 1.00 0.00 O +ATOM 11432 H1 TIP3A3811 21.526 12.027 50.216 1.00 0.00 H +ATOM 11433 H2 TIP3A3811 22.838 11.556 50.805 1.00 0.00 H +ATOM 11434 O1 TIP3A3812 35.528 51.878 53.641 1.00 0.00 O +ATOM 11435 H1 TIP3A3812 35.239 52.528 53.003 1.00 0.00 H +ATOM 11436 H2 TIP3A3812 34.977 51.113 53.472 1.00 0.00 H +ATOM 11437 O1 TIP3A3813 30.342 12.679 27.649 1.00 0.00 O +ATOM 11438 H1 TIP3A3813 29.670 12.008 27.759 1.00 0.00 H +ATOM 11439 H2 TIP3A3813 31.030 12.435 28.269 1.00 0.00 H +ATOM 11440 O1 TIP3A3814 48.694 10.780 38.768 1.00 0.00 O +ATOM 11441 H1 TIP3A3814 49.628 10.788 38.565 1.00 0.00 H +ATOM 11442 H2 TIP3A3814 48.565 11.537 39.340 1.00 0.00 H +ATOM 11443 O1 TIP3A3815 57.506 43.228 44.291 1.00 0.00 O +ATOM 11444 H1 TIP3A3815 58.005 43.730 44.934 1.00 0.00 H +ATOM 11445 H2 TIP3A3815 56.590 43.379 44.527 1.00 0.00 H +ATOM 11446 O1 TIP3A3816 9.149 37.423 3.196 1.00 0.00 O +ATOM 11447 H1 TIP3A3816 9.006 37.405 4.142 1.00 0.00 H +ATOM 11448 H2 TIP3A3816 8.629 38.167 2.889 1.00 0.00 H +ATOM 11449 O1 TIP3A3817 43.540 32.154 25.228 1.00 0.00 O +ATOM 11450 H1 TIP3A3817 42.912 32.276 24.517 1.00 0.00 H +ATOM 11451 H2 TIP3A3817 43.912 33.025 25.372 1.00 0.00 H +ATOM 11452 O1 TIP3A3818 4.935 7.910 37.558 1.00 0.00 O +ATOM 11453 H1 TIP3A3818 4.198 8.470 37.801 1.00 0.00 H +ATOM 11454 H2 TIP3A3818 5.067 8.078 36.625 1.00 0.00 H +ATOM 11455 O1 TIP3A3819 42.233 1.707 38.379 1.00 0.00 O +ATOM 11456 H1 TIP3A3819 43.068 1.306 38.138 1.00 0.00 H +ATOM 11457 H2 TIP3A3819 41.608 1.365 37.739 1.00 0.00 H +ATOM 11458 O1 TIP3A3820 25.635 35.192 25.575 1.00 0.00 O +ATOM 11459 H1 TIP3A3820 25.670 35.362 26.516 1.00 0.00 H +ATOM 11460 H2 TIP3A3820 25.580 34.239 25.506 1.00 0.00 H +ATOM 11461 O1 TIP3A3821 24.217 8.217 28.819 1.00 0.00 O +ATOM 11462 H1 TIP3A3821 24.901 8.568 29.387 1.00 0.00 H +ATOM 11463 H2 TIP3A3821 23.492 8.837 28.905 1.00 0.00 H +ATOM 11464 O1 TIP3A3822 24.919 52.488 25.268 1.00 0.00 O +ATOM 11465 H1 TIP3A3822 23.979 52.633 25.164 1.00 0.00 H +ATOM 11466 H2 TIP3A3822 25.327 53.190 24.761 1.00 0.00 H +ATOM 11467 O1 TIP3A3823 38.685 23.953 56.899 1.00 0.00 O +ATOM 11468 H1 TIP3A3823 38.017 23.271 56.840 1.00 0.00 H +ATOM 11469 H2 TIP3A3823 38.254 24.740 56.564 1.00 0.00 H +ATOM 11470 O1 TIP3A3824 6.915 0.604 43.367 1.00 0.00 O +ATOM 11471 H1 TIP3A3824 7.630 -0.000 43.169 1.00 0.00 H +ATOM 11472 H2 TIP3A3824 6.195 0.317 42.806 1.00 0.00 H +ATOM 11473 O1 TIP3A3825 39.271 29.540 15.156 1.00 0.00 O +ATOM 11474 H1 TIP3A3825 39.393 28.592 15.110 1.00 0.00 H +ATOM 11475 H2 TIP3A3825 39.283 29.829 14.243 1.00 0.00 H +ATOM 11476 O1 TIP3A3826 1.770 36.894 16.350 1.00 0.00 O +ATOM 11477 H1 TIP3A3826 2.454 37.544 16.502 1.00 0.00 H +ATOM 11478 H2 TIP3A3826 1.951 36.556 15.472 1.00 0.00 H +ATOM 11479 O1 TIP3A3827 36.279 43.131 18.532 1.00 0.00 O +ATOM 11480 H1 TIP3A3827 35.495 42.690 18.207 1.00 0.00 H +ATOM 11481 H2 TIP3A3827 36.541 43.712 17.818 1.00 0.00 H +ATOM 11482 O1 TIP3A3828 50.412 6.048 10.833 1.00 0.00 O +ATOM 11483 H1 TIP3A3828 51.073 6.711 11.029 1.00 0.00 H +ATOM 11484 H2 TIP3A3828 50.729 5.620 10.038 1.00 0.00 H +ATOM 11485 O1 TIP3A3829 37.239 37.356 52.781 1.00 0.00 O +ATOM 11486 H1 TIP3A3829 37.896 37.254 53.469 1.00 0.00 H +ATOM 11487 H2 TIP3A3829 37.646 36.975 52.002 1.00 0.00 H +ATOM 11488 O1 TIP3A3830 57.417 7.293 35.184 1.00 0.00 O +ATOM 11489 H1 TIP3A3830 58.000 6.574 35.425 1.00 0.00 H +ATOM 11490 H2 TIP3A3830 58.000 8.044 35.062 1.00 0.00 H +ATOM 11491 O1 TIP3A3831 27.127 51.352 22.270 1.00 0.00 O +ATOM 11492 H1 TIP3A3831 26.331 51.662 21.840 1.00 0.00 H +ATOM 11493 H2 TIP3A3831 27.837 51.808 21.818 1.00 0.00 H +ATOM 11494 O1 TIP3A3832 24.304 32.072 54.877 1.00 0.00 O +ATOM 11495 H1 TIP3A3832 24.267 32.231 55.819 1.00 0.00 H +ATOM 11496 H2 TIP3A3832 25.113 31.575 54.748 1.00 0.00 H +ATOM 11497 O1 TIP3A3833 4.060 29.447 24.026 1.00 0.00 O +ATOM 11498 H1 TIP3A3833 4.479 30.302 24.125 1.00 0.00 H +ATOM 11499 H2 TIP3A3833 3.122 29.637 24.039 1.00 0.00 H +ATOM 11500 O1 TIP3A3834 9.832 33.884 9.264 1.00 0.00 O +ATOM 11501 H1 TIP3A3834 10.642 34.262 8.924 1.00 0.00 H +ATOM 11502 H2 TIP3A3834 9.310 33.695 8.483 1.00 0.00 H +ATOM 11503 O1 TIP3A3835 50.976 40.859 17.558 1.00 0.00 O +ATOM 11504 H1 TIP3A3835 51.927 40.920 17.472 1.00 0.00 H +ATOM 11505 H2 TIP3A3835 50.671 40.618 16.683 1.00 0.00 H +ATOM 11506 O1 TIP3A3836 16.481 22.024 7.248 1.00 0.00 O +ATOM 11507 H1 TIP3A3836 17.062 22.216 7.984 1.00 0.00 H +ATOM 11508 H2 TIP3A3836 15.763 21.521 7.634 1.00 0.00 H +ATOM 11509 O1 TIP3A3837 16.190 56.453 34.494 1.00 0.00 O +ATOM 11510 H1 TIP3A3837 16.600 55.604 34.660 1.00 0.00 H +ATOM 11511 H2 TIP3A3837 15.421 56.248 33.962 1.00 0.00 H +ATOM 11512 O1 TIP3A3838 28.549 56.853 52.895 1.00 0.00 O +ATOM 11513 H1 TIP3A3838 28.856 57.572 52.344 1.00 0.00 H +ATOM 11514 H2 TIP3A3838 29.177 56.146 52.740 1.00 0.00 H +ATOM 11515 O1 TIP3A3839 38.641 14.102 9.774 1.00 0.00 O +ATOM 11516 H1 TIP3A3839 38.823 14.804 9.151 1.00 0.00 H +ATOM 11517 H2 TIP3A3839 38.706 13.299 9.257 1.00 0.00 H +ATOM 11518 O1 TIP3A3840 46.074 52.147 16.954 1.00 0.00 O +ATOM 11519 H1 TIP3A3840 46.302 53.060 17.126 1.00 0.00 H +ATOM 11520 H2 TIP3A3840 46.744 51.843 16.342 1.00 0.00 H +ATOM 11521 O1 TIP3A3841 38.573 0.123 9.648 1.00 0.00 O +ATOM 11522 H1 TIP3A3841 38.002 0.681 9.121 1.00 0.00 H +ATOM 11523 H2 TIP3A3841 38.097 -0.000 10.470 1.00 0.00 H +ATOM 11524 O1 TIP3A3842 2.243 15.611 3.849 1.00 0.00 O +ATOM 11525 H1 TIP3A3842 2.004 15.181 3.029 1.00 0.00 H +ATOM 11526 H2 TIP3A3842 1.773 16.445 3.829 1.00 0.00 H +ATOM 11527 O1 TIP3A3843 13.157 6.579 56.596 1.00 0.00 O +ATOM 11528 H1 TIP3A3843 12.219 6.648 56.770 1.00 0.00 H +ATOM 11529 H2 TIP3A3843 13.347 7.314 56.012 1.00 0.00 H +ATOM 11530 O1 TIP3A3844 56.148 31.941 25.893 1.00 0.00 O +ATOM 11531 H1 TIP3A3844 55.723 31.161 25.540 1.00 0.00 H +ATOM 11532 H2 TIP3A3844 55.736 32.074 26.747 1.00 0.00 H +ATOM 11533 O1 TIP3A3845 4.548 22.438 10.224 1.00 0.00 O +ATOM 11534 H1 TIP3A3845 5.501 22.505 10.254 1.00 0.00 H +ATOM 11535 H2 TIP3A3845 4.241 23.080 10.865 1.00 0.00 H +ATOM 11536 O1 TIP3A3846 54.269 12.420 21.199 1.00 0.00 O +ATOM 11537 H1 TIP3A3846 55.225 12.420 21.167 1.00 0.00 H +ATOM 11538 H2 TIP3A3846 54.019 11.547 20.896 1.00 0.00 H +ATOM 11539 O1 TIP3A3847 36.810 27.241 43.968 1.00 0.00 O +ATOM 11540 H1 TIP3A3847 36.847 26.315 43.731 1.00 0.00 H +ATOM 11541 H2 TIP3A3847 37.493 27.347 44.631 1.00 0.00 H +ATOM 11542 O1 TIP3A3848 33.097 54.383 41.665 1.00 0.00 O +ATOM 11543 H1 TIP3A3848 32.928 55.323 41.618 1.00 0.00 H +ATOM 11544 H2 TIP3A3848 33.928 54.265 41.203 1.00 0.00 H +ATOM 11545 O1 TIP3A3849 21.524 2.552 35.398 1.00 0.00 O +ATOM 11546 H1 TIP3A3849 21.125 3.419 35.343 1.00 0.00 H +ATOM 11547 H2 TIP3A3849 21.571 2.368 36.337 1.00 0.00 H +ATOM 11548 O1 TIP3A3850 25.191 42.085 19.636 1.00 0.00 O +ATOM 11549 H1 TIP3A3850 25.809 41.385 19.844 1.00 0.00 H +ATOM 11550 H2 TIP3A3850 25.080 42.034 18.686 1.00 0.00 H +ATOM 11551 O1 TIP3A3851 38.612 41.088 48.403 1.00 0.00 O +ATOM 11552 H1 TIP3A3851 37.777 41.552 48.350 1.00 0.00 H +ATOM 11553 H2 TIP3A3851 38.513 40.498 49.150 1.00 0.00 H +ATOM 11554 O1 TIP3A3852 21.478 31.955 45.297 1.00 0.00 O +ATOM 11555 H1 TIP3A3852 22.430 32.046 45.314 1.00 0.00 H +ATOM 11556 H2 TIP3A3852 21.287 31.579 44.437 1.00 0.00 H +ATOM 11557 O1 TIP3A3853 18.366 5.894 41.714 1.00 0.00 O +ATOM 11558 H1 TIP3A3853 18.390 5.226 41.029 1.00 0.00 H +ATOM 11559 H2 TIP3A3853 18.284 5.399 42.529 1.00 0.00 H +ATOM 11560 O1 TIP3A3854 18.979 22.208 18.609 1.00 0.00 O +ATOM 11561 H1 TIP3A3854 18.108 22.366 18.248 1.00 0.00 H +ATOM 11562 H2 TIP3A3854 19.283 23.072 18.890 1.00 0.00 H +ATOM 11563 O1 TIP3A3855 44.653 0.228 3.606 1.00 0.00 O +ATOM 11564 H1 TIP3A3855 45.590 0.403 3.523 1.00 0.00 H +ATOM 11565 H2 TIP3A3855 44.371 0.773 4.342 1.00 0.00 H +ATOM 11566 O1 TIP3A3856 53.207 17.521 18.816 1.00 0.00 O +ATOM 11567 H1 TIP3A3856 53.318 18.423 18.519 1.00 0.00 H +ATOM 11568 H2 TIP3A3856 52.425 17.212 18.357 1.00 0.00 H +ATOM 11569 O1 TIP3A3857 23.710 13.049 3.781 1.00 0.00 O +ATOM 11570 H1 TIP3A3857 23.176 13.843 3.789 1.00 0.00 H +ATOM 11571 H2 TIP3A3857 23.078 12.336 3.675 1.00 0.00 H +ATOM 11572 O1 TIP3A3858 1.198 43.064 11.628 1.00 0.00 O +ATOM 11573 H1 TIP3A3858 0.417 43.404 12.063 1.00 0.00 H +ATOM 11574 H2 TIP3A3858 1.929 43.419 12.135 1.00 0.00 H +ATOM 11575 O1 TIP3A3859 12.540 10.879 57.553 1.00 0.00 O +ATOM 11576 H1 TIP3A3859 11.704 11.332 57.447 1.00 0.00 H +ATOM 11577 H2 TIP3A3859 13.101 11.513 58.000 1.00 0.00 H +ATOM 11578 O1 TIP3A3860 26.146 11.714 52.738 1.00 0.00 O +ATOM 11579 H1 TIP3A3860 26.001 11.529 53.665 1.00 0.00 H +ATOM 11580 H2 TIP3A3860 26.868 12.343 52.729 1.00 0.00 H +ATOM 11581 O1 TIP3A3861 43.874 40.438 27.754 1.00 0.00 O +ATOM 11582 H1 TIP3A3861 43.155 40.557 27.133 1.00 0.00 H +ATOM 11583 H2 TIP3A3861 43.445 40.363 28.607 1.00 0.00 H +ATOM 11584 O1 TIP3A3862 52.609 18.381 16.151 1.00 0.00 O +ATOM 11585 H1 TIP3A3862 53.478 18.734 16.339 1.00 0.00 H +ATOM 11586 H2 TIP3A3862 52.026 18.845 16.752 1.00 0.00 H +ATOM 11587 O1 TIP3A3863 51.744 44.705 52.689 1.00 0.00 O +ATOM 11588 H1 TIP3A3863 52.162 43.858 52.531 1.00 0.00 H +ATOM 11589 H2 TIP3A3863 50.829 44.571 52.440 1.00 0.00 H +ATOM 11590 O1 TIP3A3864 14.652 15.899 32.887 1.00 0.00 O +ATOM 11591 H1 TIP3A3864 15.378 16.283 32.397 1.00 0.00 H +ATOM 11592 H2 TIP3A3864 13.882 16.060 32.341 1.00 0.00 H +ATOM 11593 O1 TIP3A3865 3.971 51.920 57.222 1.00 0.00 O +ATOM 11594 H1 TIP3A3865 4.552 52.635 57.478 1.00 0.00 H +ATOM 11595 H2 TIP3A3865 4.553 51.262 56.841 1.00 0.00 H +ATOM 11596 O1 TIP3A3866 50.588 35.237 19.957 1.00 0.00 O +ATOM 11597 H1 TIP3A3866 50.381 35.263 19.023 1.00 0.00 H +ATOM 11598 H2 TIP3A3866 50.251 36.065 20.300 1.00 0.00 H +ATOM 11599 O1 TIP3A3867 54.110 26.947 42.516 1.00 0.00 O +ATOM 11600 H1 TIP3A3867 54.271 26.679 43.420 1.00 0.00 H +ATOM 11601 H2 TIP3A3867 54.859 26.605 42.027 1.00 0.00 H +ATOM 11602 O1 TIP3A3868 30.952 36.480 21.487 1.00 0.00 O +ATOM 11603 H1 TIP3A3868 31.627 35.990 21.019 1.00 0.00 H +ATOM 11604 H2 TIP3A3868 31.100 37.393 21.237 1.00 0.00 H +ATOM 11605 O1 TIP3A3869 23.849 11.691 20.828 1.00 0.00 O +ATOM 11606 H1 TIP3A3869 23.260 11.695 20.074 1.00 0.00 H +ATOM 11607 H2 TIP3A3869 23.409 12.237 21.480 1.00 0.00 H +ATOM 11608 O1 TIP3A3870 15.911 45.098 38.330 1.00 0.00 O +ATOM 11609 H1 TIP3A3870 16.217 44.192 38.331 1.00 0.00 H +ATOM 11610 H2 TIP3A3870 16.493 45.549 38.942 1.00 0.00 H +ATOM 11611 O1 TIP3A3871 6.264 24.525 43.824 1.00 0.00 O +ATOM 11612 H1 TIP3A3871 5.669 23.946 44.300 1.00 0.00 H +ATOM 11613 H2 TIP3A3871 6.242 25.347 44.315 1.00 0.00 H +ATOM 11614 O1 TIP3A3872 19.464 25.270 37.505 1.00 0.00 O +ATOM 11615 H1 TIP3A3872 19.941 25.154 38.326 1.00 0.00 H +ATOM 11616 H2 TIP3A3872 20.127 25.156 36.823 1.00 0.00 H +ATOM 11617 O1 TIP3A3873 38.224 9.454 5.624 1.00 0.00 O +ATOM 11618 H1 TIP3A3873 37.521 10.088 5.489 1.00 0.00 H +ATOM 11619 H2 TIP3A3873 37.788 8.602 5.599 1.00 0.00 H +ATOM 11620 O1 TIP3A3874 11.072 6.231 16.488 1.00 0.00 O +ATOM 11621 H1 TIP3A3874 11.888 6.121 16.974 1.00 0.00 H +ATOM 11622 H2 TIP3A3874 10.760 7.102 16.736 1.00 0.00 H +ATOM 11623 O1 TIP3A3875 45.612 23.777 42.167 1.00 0.00 O +ATOM 11624 H1 TIP3A3875 44.840 23.953 42.704 1.00 0.00 H +ATOM 11625 H2 TIP3A3875 45.847 24.629 41.797 1.00 0.00 H +ATOM 11626 O1 TIP3A3876 39.483 9.056 19.562 1.00 0.00 O +ATOM 11627 H1 TIP3A3876 39.109 9.794 20.043 1.00 0.00 H +ATOM 11628 H2 TIP3A3876 40.388 9.001 19.873 1.00 0.00 H +ATOM 11629 O1 TIP3A3877 10.613 0.369 55.652 1.00 0.00 O +ATOM 11630 H1 TIP3A3877 9.842 0.877 55.400 1.00 0.00 H +ATOM 11631 H2 TIP3A3877 10.365 -0.049 56.477 1.00 0.00 H +ATOM 11632 O1 TIP3A3878 7.133 20.695 56.187 1.00 0.00 O +ATOM 11633 H1 TIP3A3878 7.424 19.944 56.703 1.00 0.00 H +ATOM 11634 H2 TIP3A3878 6.181 20.599 56.138 1.00 0.00 H +ATOM 11635 O1 TIP3A3879 21.713 7.446 3.539 1.00 0.00 O +ATOM 11636 H1 TIP3A3879 21.314 7.736 4.359 1.00 0.00 H +ATOM 11637 H2 TIP3A3879 21.851 8.252 3.040 1.00 0.00 H +ATOM 11638 O1 TIP3A3880 47.287 36.336 53.697 1.00 0.00 O +ATOM 11639 H1 TIP3A3880 46.378 36.138 53.474 1.00 0.00 H +ATOM 11640 H2 TIP3A3880 47.387 36.025 54.597 1.00 0.00 H +ATOM 11641 O1 TIP3A3881 49.735 39.911 27.489 1.00 0.00 O +ATOM 11642 H1 TIP3A3881 48.939 39.645 27.949 1.00 0.00 H +ATOM 11643 H2 TIP3A3881 50.432 39.807 28.137 1.00 0.00 H +ATOM 11644 O1 TIP3A3882 34.495 21.730 2.646 1.00 0.00 O +ATOM 11645 H1 TIP3A3882 33.917 20.968 2.653 1.00 0.00 H +ATOM 11646 H2 TIP3A3882 35.210 21.494 3.239 1.00 0.00 H +ATOM 11647 O1 TIP3A3883 38.067 31.850 34.323 1.00 0.00 O +ATOM 11648 H1 TIP3A3883 37.879 30.971 34.651 1.00 0.00 H +ATOM 11649 H2 TIP3A3883 38.664 32.225 34.971 1.00 0.00 H +ATOM 11650 O1 TIP3A3884 29.187 20.446 26.476 1.00 0.00 O +ATOM 11651 H1 TIP3A3884 29.580 19.602 26.697 1.00 0.00 H +ATOM 11652 H2 TIP3A3884 28.811 20.315 25.605 1.00 0.00 H +ATOM 11653 O1 TIP3A3885 52.404 29.976 36.584 1.00 0.00 O +ATOM 11654 H1 TIP3A3885 52.972 30.354 37.254 1.00 0.00 H +ATOM 11655 H2 TIP3A3885 52.523 30.542 35.821 1.00 0.00 H +ATOM 11656 O1 TIP3A3886 24.323 40.221 21.111 1.00 0.00 O +ATOM 11657 H1 TIP3A3886 23.553 40.784 21.185 1.00 0.00 H +ATOM 11658 H2 TIP3A3886 24.968 40.618 21.697 1.00 0.00 H +ATOM 11659 O1 TIP3A3887 32.767 29.153 57.682 1.00 0.00 O +ATOM 11660 H1 TIP3A3887 32.712 28.199 57.635 1.00 0.00 H +ATOM 11661 H2 TIP3A3887 33.671 29.328 57.945 1.00 0.00 H +ATOM 11662 O1 TIP3A3888 22.540 57.057 34.480 1.00 0.00 O +ATOM 11663 H1 TIP3A3888 22.022 56.905 35.270 1.00 0.00 H +ATOM 11664 H2 TIP3A3888 22.444 57.994 34.307 1.00 0.00 H +ATOM 11665 O1 TIP3A3889 44.246 38.827 8.104 1.00 0.00 O +ATOM 11666 H1 TIP3A3889 44.724 39.610 8.377 1.00 0.00 H +ATOM 11667 H2 TIP3A3889 44.903 38.286 7.664 1.00 0.00 H +ATOM 11668 O1 TIP3A3890 39.032 36.228 56.417 1.00 0.00 O +ATOM 11669 H1 TIP3A3890 39.339 35.541 55.827 1.00 0.00 H +ATOM 11670 H2 TIP3A3890 39.533 37.004 56.163 1.00 0.00 H +ATOM 11671 O1 TIP3A3891 25.328 7.353 39.408 1.00 0.00 O +ATOM 11672 H1 TIP3A3891 24.569 6.801 39.591 1.00 0.00 H +ATOM 11673 H2 TIP3A3891 25.705 6.986 38.608 1.00 0.00 H +ATOM 11674 O1 TIP3A3892 2.887 44.230 3.470 1.00 0.00 O +ATOM 11675 H1 TIP3A3892 2.661 43.355 3.155 1.00 0.00 H +ATOM 11676 H2 TIP3A3892 2.247 44.410 4.160 1.00 0.00 H +ATOM 11677 O1 TIP3A3893 34.301 53.980 18.299 1.00 0.00 O +ATOM 11678 H1 TIP3A3893 33.908 53.232 17.851 1.00 0.00 H +ATOM 11679 H2 TIP3A3893 34.195 54.709 17.687 1.00 0.00 H +ATOM 11680 O1 TIP3A3894 24.086 29.634 12.941 1.00 0.00 O +ATOM 11681 H1 TIP3A3894 23.451 28.930 13.068 1.00 0.00 H +ATOM 11682 H2 TIP3A3894 23.585 30.438 13.081 1.00 0.00 H +ATOM 11683 O1 TIP3A3895 42.332 42.665 35.478 1.00 0.00 O +ATOM 11684 H1 TIP3A3895 41.738 41.957 35.723 1.00 0.00 H +ATOM 11685 H2 TIP3A3895 42.220 43.322 36.166 1.00 0.00 H +ATOM 11686 O1 TIP3A3896 47.088 10.831 30.555 1.00 0.00 O +ATOM 11687 H1 TIP3A3896 47.798 10.267 30.251 1.00 0.00 H +ATOM 11688 H2 TIP3A3896 46.293 10.427 30.205 1.00 0.00 H +ATOM 11689 O1 TIP3A3897 1.969 29.441 2.037 1.00 0.00 O +ATOM 11690 H1 TIP3A3897 2.782 29.698 2.470 1.00 0.00 H +ATOM 11691 H2 TIP3A3897 2.213 29.321 1.119 1.00 0.00 H +ATOM 11692 O1 TIP3A3898 34.284 27.605 22.783 1.00 0.00 O +ATOM 11693 H1 TIP3A3898 34.568 27.251 23.625 1.00 0.00 H +ATOM 11694 H2 TIP3A3898 35.097 27.752 22.298 1.00 0.00 H +ATOM 11695 O1 WAT A3899 46.134 8.946 1.491 1.00 0.00 O +ATOM 11696 H1 WAT A3899 46.714 9.224 2.200 1.00 0.00 H +ATOM 11697 H2 WAT A3899 46.649 9.075 0.695 1.00 0.00 H +ATOM 11698 O1 WAT A3900 22.975 20.961 44.066 1.00 0.00 O +ATOM 11699 H1 WAT A3900 22.031 21.075 43.960 1.00 0.00 H +ATOM 11700 H2 WAT A3900 23.270 21.768 44.487 1.00 0.00 H +ATOM 11701 O1 WAT A3901 30.647 10.205 11.925 1.00 0.00 O +ATOM 11702 H1 WAT A3901 30.009 10.807 12.309 1.00 0.00 H +ATOM 11703 H2 WAT A3901 31.496 10.541 12.209 1.00 0.00 H +ATOM 11704 O1 WAT A3902 38.320 35.145 13.779 1.00 0.00 O +ATOM 11705 H1 WAT A3902 39.000 35.026 13.116 1.00 0.00 H +ATOM 11706 H2 WAT A3902 38.466 36.029 14.116 1.00 0.00 H +ATOM 11707 O1 WAT A3903 35.027 28.544 41.379 1.00 0.00 O +ATOM 11708 H1 WAT A3903 34.724 27.655 41.567 1.00 0.00 H +ATOM 11709 H2 WAT A3903 35.855 28.621 41.852 1.00 0.00 H +ATOM 11710 O1 WAT A3904 15.163 24.662 3.093 1.00 0.00 O +ATOM 11711 H1 WAT A3904 14.331 24.279 3.370 1.00 0.00 H +ATOM 11712 H2 WAT A3904 15.582 24.941 3.907 1.00 0.00 H +ATOM 11713 O1 WAT A3905 31.095 46.697 42.390 1.00 0.00 O +ATOM 11714 H1 WAT A3905 30.793 46.608 41.486 1.00 0.00 H +ATOM 11715 H2 WAT A3905 30.361 47.105 42.850 1.00 0.00 H +ATOM 11716 O1 WAT A3906 3.044 41.811 18.675 1.00 0.00 O +ATOM 11717 H1 WAT A3906 2.308 42.369 18.424 1.00 0.00 H +ATOM 11718 H2 WAT A3906 2.758 40.924 18.457 1.00 0.00 H +ATOM 11719 O1 WAT A3907 29.780 8.277 35.763 1.00 0.00 O +ATOM 11720 H1 WAT A3907 28.823 8.287 35.779 1.00 0.00 H +ATOM 11721 H2 WAT A3907 30.036 9.119 36.138 1.00 0.00 H +ATOM 11722 O1 WAT A3908 16.506 9.952 16.205 1.00 0.00 O +ATOM 11723 H1 WAT A3908 15.676 9.488 16.087 1.00 0.00 H +ATOM 11724 H2 WAT A3908 16.285 10.703 16.756 1.00 0.00 H +ATOM 11725 O1 WAT A3909 47.940 15.645 17.237 1.00 0.00 O +ATOM 11726 H1 WAT A3909 47.037 15.442 17.482 1.00 0.00 H +ATOM 11727 H2 WAT A3909 48.128 16.472 17.679 1.00 0.00 H +ATOM 11728 O1 WAT A3910 0.707 37.448 7.675 1.00 0.00 O +ATOM 11729 H1 WAT A3910 0.002 38.096 7.641 1.00 0.00 H +ATOM 11730 H2 WAT A3910 1.494 37.960 7.858 1.00 0.00 H +ATOM 11731 O1 WAT A3911 39.525 47.050 20.146 1.00 0.00 O +ATOM 11732 H1 WAT A3911 39.887 46.167 20.062 1.00 0.00 H +ATOM 11733 H2 WAT A3911 38.639 46.916 20.479 1.00 0.00 H +ATOM 11734 O1 WAT A3912 46.944 21.227 31.970 1.00 0.00 O +ATOM 11735 H1 WAT A3912 47.261 20.741 32.731 1.00 0.00 H +ATOM 11736 H2 WAT A3912 47.737 21.490 31.505 1.00 0.00 H +ATOM 11737 O1 WAT A3913 34.057 5.714 6.705 1.00 0.00 O +ATOM 11738 H1 WAT A3913 34.883 6.198 6.715 1.00 0.00 H +ATOM 11739 H2 WAT A3913 33.383 6.390 6.650 1.00 0.00 H +ATOM 11740 O1 WAT A3914 11.643 16.373 29.138 1.00 0.00 O +ATOM 11741 H1 WAT A3914 12.438 15.970 29.488 1.00 0.00 H +ATOM 11742 H2 WAT A3914 11.952 16.941 28.433 1.00 0.00 H +ATOM 11743 O1 WAT A3915 55.533 11.819 30.701 1.00 0.00 O +ATOM 11744 H1 WAT A3915 55.297 12.266 31.514 1.00 0.00 H +ATOM 11745 H2 WAT A3915 55.159 12.364 30.009 1.00 0.00 H +ATOM 11746 O1 WAT A3916 29.974 46.316 9.845 1.00 0.00 O +ATOM 11747 H1 WAT A3916 29.407 47.051 9.610 1.00 0.00 H +ATOM 11748 H2 WAT A3916 29.392 45.694 10.281 1.00 0.00 H +ATOM 11749 O1 WAT A3917 45.792 49.111 28.960 1.00 0.00 O +ATOM 11750 H1 WAT A3917 44.998 49.617 28.784 1.00 0.00 H +ATOM 11751 H2 WAT A3917 45.479 48.314 29.386 1.00 0.00 H +ATOM 11752 O1 WAT A3918 26.292 17.252 34.182 1.00 0.00 O +ATOM 11753 H1 WAT A3918 26.666 17.864 34.816 1.00 0.00 H +ATOM 11754 H2 WAT A3918 26.735 16.423 34.358 1.00 0.00 H +ATOM 11755 O1 WAT A3919 15.865 55.048 15.683 1.00 0.00 O +ATOM 11756 H1 WAT A3919 16.510 54.639 16.261 1.00 0.00 H +ATOM 11757 H2 WAT A3919 15.131 55.265 16.258 1.00 0.00 H +ATOM 11758 O1 WAT A3920 27.009 25.935 34.758 1.00 0.00 O +ATOM 11759 H1 WAT A3920 26.276 26.532 34.910 1.00 0.00 H +ATOM 11760 H2 WAT A3920 26.783 25.478 33.949 1.00 0.00 H +ATOM 11761 O1 WAT A3921 42.596 34.837 7.121 1.00 0.00 O +ATOM 11762 H1 WAT A3921 41.753 34.387 7.182 1.00 0.00 H +ATOM 11763 H2 WAT A3921 43.209 34.161 6.834 1.00 0.00 H +ATOM 11764 O1 WAT A3922 27.242 3.461 16.080 1.00 0.00 O +ATOM 11765 H1 WAT A3922 26.739 4.273 16.139 1.00 0.00 H +ATOM 11766 H2 WAT A3922 27.904 3.636 15.412 1.00 0.00 H +ATOM 11767 O1 WAT A3923 13.912 31.514 33.488 1.00 0.00 O +ATOM 11768 H1 WAT A3923 13.319 32.261 33.566 1.00 0.00 H +ATOM 11769 H2 WAT A3923 13.432 30.879 32.957 1.00 0.00 H +ATOM 11770 O1 WAT A3924 19.310 17.639 42.625 1.00 0.00 O +ATOM 11771 H1 WAT A3924 20.175 17.256 42.479 1.00 0.00 H +ATOM 11772 H2 WAT A3924 18.797 17.372 41.862 1.00 0.00 H +ATOM 11773 O1 WAT A3925 2.853 49.229 24.243 1.00 0.00 O +ATOM 11774 H1 WAT A3925 2.579 48.316 24.155 1.00 0.00 H +ATOM 11775 H2 WAT A3925 2.487 49.665 23.475 1.00 0.00 H +ATOM 11776 O1 WAT A3926 53.012 47.617 1.199 1.00 0.00 O +ATOM 11777 H1 WAT A3926 52.061 47.732 1.199 1.00 0.00 H +ATOM 11778 H2 WAT A3926 53.325 48.201 0.510 1.00 0.00 H +ATOM 11779 O1 WAT A3927 52.621 24.994 15.526 1.00 0.00 O +ATOM 11780 H1 WAT A3927 53.452 24.703 15.902 1.00 0.00 H +ATOM 11781 H2 WAT A3927 52.000 24.301 15.750 1.00 0.00 H +ATOM 11782 O1 WAT A3928 44.649 22.989 20.810 1.00 0.00 O +ATOM 11783 H1 WAT A3928 44.152 22.178 20.704 1.00 0.00 H +ATOM 11784 H2 WAT A3928 45.461 22.838 20.326 1.00 0.00 H +ATOM 11785 O1 WAT A3929 42.022 12.955 14.736 1.00 0.00 O +ATOM 11786 H1 WAT A3929 41.671 12.072 14.857 1.00 0.00 H +ATOM 11787 H2 WAT A3929 42.627 12.874 13.999 1.00 0.00 H +ATOM 11788 O1 WAT A3930 22.273 48.562 32.754 1.00 0.00 O +ATOM 11789 H1 WAT A3930 23.230 48.596 32.762 1.00 0.00 H +ATOM 11790 H2 WAT A3930 22.012 49.286 32.186 1.00 0.00 H +ATOM 11791 O1 WAT A3931 29.466 54.663 39.197 1.00 0.00 O +ATOM 11792 H1 WAT A3931 28.659 54.255 39.512 1.00 0.00 H +ATOM 11793 H2 WAT A3931 29.713 55.274 39.890 1.00 0.00 H +ATOM 11794 O1 WAT A3932 11.363 0.091 17.459 1.00 0.00 O +ATOM 11795 H1 WAT A3932 11.806 -0.008 18.302 1.00 0.00 H +ATOM 11796 H2 WAT A3932 12.037 0.437 16.874 1.00 0.00 H +ATOM 11797 O1 WAT A3933 47.357 22.483 24.051 1.00 0.00 O +ATOM 11798 H1 WAT A3933 48.138 23.005 23.869 1.00 0.00 H +ATOM 11799 H2 WAT A3933 46.627 23.086 23.912 1.00 0.00 H +ATOM 11800 O1 WAT A3934 51.056 31.136 15.095 1.00 0.00 O +ATOM 11801 H1 WAT A3934 51.769 31.311 14.480 1.00 0.00 H +ATOM 11802 H2 WAT A3934 50.518 31.926 15.070 1.00 0.00 H +ATOM 11803 O1 WAT A3935 55.593 48.578 49.254 1.00 0.00 O +ATOM 11804 H1 WAT A3935 55.322 47.687 49.473 1.00 0.00 H +ATOM 11805 H2 WAT A3935 56.043 48.892 50.037 1.00 0.00 H +ATOM 11806 O1 WAT A3936 9.070 48.176 30.121 1.00 0.00 O +ATOM 11807 H1 WAT A3936 9.320 47.261 29.995 1.00 0.00 H +ATOM 11808 H2 WAT A3936 9.800 48.677 29.757 1.00 0.00 H +ATOM 11809 O1 WAT A3937 7.221 19.546 45.422 1.00 0.00 O +ATOM 11810 H1 WAT A3937 7.896 18.998 45.021 1.00 0.00 H +ATOM 11811 H2 WAT A3937 7.123 19.197 46.307 1.00 0.00 H +ATOM 11812 O1 WAT A3938 11.559 51.948 54.728 1.00 0.00 O +ATOM 11813 H1 WAT A3938 10.764 51.697 54.257 1.00 0.00 H +ATOM 11814 H2 WAT A3938 11.520 52.903 54.773 1.00 0.00 H +ATOM 11815 O1 WAT A3939 12.136 21.017 19.501 1.00 0.00 O +ATOM 11816 H1 WAT A3939 12.957 21.348 19.865 1.00 0.00 H +ATOM 11817 H2 WAT A3939 11.758 21.765 19.041 1.00 0.00 H +ATOM 11818 O1 WAT A3940 52.801 44.713 4.253 1.00 0.00 O +ATOM 11819 H1 WAT A3940 51.975 45.090 3.950 1.00 0.00 H +ATOM 11820 H2 WAT A3940 53.471 45.322 3.945 1.00 0.00 H +ATOM 11821 O1 WAT A3941 50.897 6.639 57.607 1.00 0.00 O +ATOM 11822 H1 WAT A3941 51.190 5.803 57.969 1.00 0.00 H +ATOM 11823 H2 WAT A3941 50.071 6.435 57.168 1.00 0.00 H +ATOM 11824 O1 WAT A3942 33.915 29.891 25.780 1.00 0.00 O +ATOM 11825 H1 WAT A3942 33.899 30.848 25.816 1.00 0.00 H +ATOM 11826 H2 WAT A3942 33.214 29.617 26.370 1.00 0.00 H +ATOM 11827 O1 WAT A3943 19.733 40.547 24.995 1.00 0.00 O +ATOM 11828 H1 WAT A3943 20.652 40.430 25.236 1.00 0.00 H +ATOM 11829 H2 WAT A3943 19.330 39.697 25.167 1.00 0.00 H +ATOM 11830 O1 WAT A3944 14.072 54.520 43.801 1.00 0.00 O +ATOM 11831 H1 WAT A3944 14.032 55.220 43.150 1.00 0.00 H +ATOM 11832 H2 WAT A3944 13.162 54.248 43.917 1.00 0.00 H +ATOM 11833 O1 WAT A3945 34.392 46.370 13.419 1.00 0.00 O +ATOM 11834 H1 WAT A3945 35.079 47.015 13.249 1.00 0.00 H +ATOM 11835 H2 WAT A3945 33.954 46.687 14.208 1.00 0.00 H +ATOM 11836 O1 WAT A3946 29.247 50.277 11.249 1.00 0.00 O +ATOM 11837 H1 WAT A3946 28.296 50.365 11.312 1.00 0.00 H +ATOM 11838 H2 WAT A3946 29.395 49.877 10.392 1.00 0.00 H +ATOM 11839 O1 WAT A3947 8.348 28.443 48.196 1.00 0.00 O +ATOM 11840 H1 WAT A3947 9.029 27.789 48.355 1.00 0.00 H +ATOM 11841 H2 WAT A3947 7.613 28.162 48.739 1.00 0.00 H +ATOM 11842 O1 WAT A3948 14.918 23.604 32.063 1.00 0.00 O +ATOM 11843 H1 WAT A3948 14.684 23.198 32.898 1.00 0.00 H +ATOM 11844 H2 WAT A3948 15.400 24.394 32.307 1.00 0.00 H +ATOM 11845 O1 WAT A3949 44.405 49.301 7.622 1.00 0.00 O +ATOM 11846 H1 WAT A3949 44.064 49.768 6.859 1.00 0.00 H +ATOM 11847 H2 WAT A3949 45.355 49.337 7.522 1.00 0.00 H +ATOM 11848 O1 WAT A3950 16.607 7.229 28.087 1.00 0.00 O +ATOM 11849 H1 WAT A3950 17.017 7.874 27.509 1.00 0.00 H +ATOM 11850 H2 WAT A3950 16.736 6.392 27.642 1.00 0.00 H +ATOM 11851 O1 WAT A3951 12.152 40.710 20.535 1.00 0.00 O +ATOM 11852 H1 WAT A3951 11.974 41.649 20.591 1.00 0.00 H +ATOM 11853 H2 WAT A3951 11.342 40.294 20.827 1.00 0.00 H +ATOM 11854 O1 WAT A3952 14.065 30.151 57.668 1.00 0.00 O +ATOM 11855 H1 WAT A3952 13.819 29.280 57.356 1.00 0.00 H +ATOM 11856 H2 WAT A3952 13.379 30.729 57.334 1.00 0.00 H +ATOM 11857 O1 WAT A3953 21.601 44.899 46.832 1.00 0.00 O +ATOM 11858 H1 WAT A3953 21.442 44.248 47.516 1.00 0.00 H +ATOM 11859 H2 WAT A3953 21.805 44.382 46.053 1.00 0.00 H +ATOM 11860 O1 WAT A3954 4.555 39.211 31.530 1.00 0.00 O +ATOM 11861 H1 WAT A3954 5.499 39.089 31.632 1.00 0.00 H +ATOM 11862 H2 WAT A3954 4.184 38.916 32.361 1.00 0.00 H +ATOM 11863 O1 WAT A3955 48.850 31.104 22.325 1.00 0.00 O +ATOM 11864 H1 WAT A3955 48.327 31.736 22.819 1.00 0.00 H +ATOM 11865 H2 WAT A3955 49.360 31.638 21.717 1.00 0.00 H +ATOM 11866 O1 WAT A3956 49.979 10.296 44.076 1.00 0.00 O +ATOM 11867 H1 WAT A3956 50.087 9.922 43.201 1.00 0.00 H +ATOM 11868 H2 WAT A3956 50.468 9.708 44.651 1.00 0.00 H +ATOM 11869 O1 WAT A3957 52.454 36.130 3.031 1.00 0.00 O +ATOM 11870 H1 WAT A3957 52.419 37.086 3.056 1.00 0.00 H +ATOM 11871 H2 WAT A3957 51.581 35.865 2.742 1.00 0.00 H +ATOM 11872 O1 WAT A3958 18.238 0.696 20.479 1.00 0.00 O +ATOM 11873 H1 WAT A3958 18.186 1.650 20.411 1.00 0.00 H +ATOM 11874 H2 WAT A3958 19.152 0.491 20.284 1.00 0.00 H +ATOM 11875 O1 WAT A3959 4.860 26.485 53.393 1.00 0.00 O +ATOM 11876 H1 WAT A3959 4.258 27.174 53.675 1.00 0.00 H +ATOM 11877 H2 WAT A3959 4.875 26.554 52.439 1.00 0.00 H +ATOM 11878 O1 WAT A3960 9.239 51.175 15.260 1.00 0.00 O +ATOM 11879 H1 WAT A3960 9.583 51.439 16.113 1.00 0.00 H +ATOM 11880 H2 WAT A3960 8.796 50.344 15.426 1.00 0.00 H +ATOM 11881 O1 WAT A3961 20.435 12.736 22.233 1.00 0.00 O +ATOM 11882 H1 WAT A3961 21.312 12.353 22.284 1.00 0.00 H +ATOM 11883 H2 WAT A3961 19.852 12.042 22.539 1.00 0.00 H +ATOM 11884 O1 WAT A3962 7.339 51.084 3.171 1.00 0.00 O +ATOM 11885 H1 WAT A3962 6.674 51.750 2.996 1.00 0.00 H +ATOM 11886 H2 WAT A3962 8.097 51.577 3.482 1.00 0.00 H +ATOM 11887 O1 WAT A3963 42.589 57.587 31.734 1.00 0.00 O +ATOM 11888 H1 WAT A3963 41.791 57.908 32.153 1.00 0.00 H +ATOM 11889 H2 WAT A3963 43.300 58.001 32.222 1.00 0.00 H +ATOM 11890 O1 WAT A3964 23.461 21.943 26.655 1.00 0.00 O +ATOM 11891 H1 WAT A3964 22.693 21.909 27.225 1.00 0.00 H +ATOM 11892 H2 WAT A3964 23.199 22.510 25.931 1.00 0.00 H +ATOM 11893 O1 WAT A3965 17.950 43.157 42.216 1.00 0.00 O +ATOM 11894 H1 WAT A3965 18.842 43.134 41.869 1.00 0.00 H +ATOM 11895 H2 WAT A3965 17.443 43.615 41.546 1.00 0.00 H +ATOM 11896 O1 WAT A3966 21.695 7.302 49.131 1.00 0.00 O +ATOM 11897 H1 WAT A3966 21.536 6.787 49.922 1.00 0.00 H +ATOM 11898 H2 WAT A3966 21.239 6.826 48.438 1.00 0.00 H +ATOM 11899 O1 WAT A3967 30.715 38.641 33.547 1.00 0.00 O +ATOM 11900 H1 WAT A3967 31.626 38.351 33.497 1.00 0.00 H +ATOM 11901 H2 WAT A3967 30.369 38.216 34.331 1.00 0.00 H +ATOM 11902 O1 WAT A3968 51.237 4.862 40.343 1.00 0.00 O +ATOM 11903 H1 WAT A3968 51.650 4.467 41.111 1.00 0.00 H +ATOM 11904 H2 WAT A3968 51.587 5.752 40.313 1.00 0.00 H +ATOM 11905 O1 WAT A3969 38.128 39.077 5.672 1.00 0.00 O +ATOM 11906 H1 WAT A3969 38.907 39.104 5.116 1.00 0.00 H +ATOM 11907 H2 WAT A3969 38.408 39.476 6.496 1.00 0.00 H +ATOM 11908 O1 WAT A3970 20.314 28.197 38.898 1.00 0.00 O +ATOM 11909 H1 WAT A3970 20.704 28.036 39.757 1.00 0.00 H +ATOM 11910 H2 WAT A3970 20.254 27.331 38.495 1.00 0.00 H +ATOM 11911 O1 WAT A3971 29.721 0.601 20.940 1.00 0.00 O +ATOM 11912 H1 WAT A3971 29.131 0.035 21.438 1.00 0.00 H +ATOM 11913 H2 WAT A3971 30.282 -0.004 20.456 1.00 0.00 H +ATOM 11914 O1 WAT A3972 2.904 12.786 44.607 1.00 0.00 O +ATOM 11915 H1 WAT A3972 3.462 13.531 44.382 1.00 0.00 H +ATOM 11916 H2 WAT A3972 2.158 13.175 45.064 1.00 0.00 H +ATOM 11917 O1 WAT A3973 14.963 34.403 27.596 1.00 0.00 O +ATOM 11918 H1 WAT A3973 14.859 33.451 27.623 1.00 0.00 H +ATOM 11919 H2 WAT A3973 14.143 34.744 27.949 1.00 0.00 H +ATOM 11920 O1 WAT A3974 38.746 26.764 52.194 1.00 0.00 O +ATOM 11921 H1 WAT A3974 39.467 26.888 51.577 1.00 0.00 H +ATOM 11922 H2 WAT A3974 38.143 27.483 52.008 1.00 0.00 H +ATOM 11923 O1 WAT A3975 10.506 7.058 12.963 1.00 0.00 O +ATOM 11924 H1 WAT A3975 9.733 6.510 12.827 1.00 0.00 H +ATOM 11925 H2 WAT A3975 11.145 6.734 12.329 1.00 0.00 H +ATOM 11926 O1 WAT A3976 36.324 55.900 7.692 1.00 0.00 O +ATOM 11927 H1 WAT A3976 35.467 55.665 8.050 1.00 0.00 H +ATOM 11928 H2 WAT A3976 36.454 56.810 7.958 1.00 0.00 H +ATOM 11929 O1 WAT A3977 54.237 42.721 55.382 1.00 0.00 O +ATOM 11930 H1 WAT A3977 53.657 43.367 55.785 1.00 0.00 H +ATOM 11931 H2 WAT A3977 53.678 42.245 54.769 1.00 0.00 H +ATOM 11932 O1 WAT A3978 33.150 41.403 0.987 1.00 0.00 O +ATOM 11933 H1 WAT A3978 33.538 40.529 0.941 1.00 0.00 H +ATOM 11934 H2 WAT A3978 32.299 41.267 1.403 1.00 0.00 H +ATOM 11935 O1 WAT A3979 39.323 12.789 26.531 1.00 0.00 O +ATOM 11936 H1 WAT A3979 38.446 12.914 26.896 1.00 0.00 H +ATOM 11937 H2 WAT A3979 39.311 11.901 26.177 1.00 0.00 H +ATOM 11938 O1 WAT A3980 10.130 9.665 50.553 1.00 0.00 O +ATOM 11939 H1 WAT A3980 10.166 8.708 50.518 1.00 0.00 H +ATOM 11940 H2 WAT A3980 10.182 9.940 49.639 1.00 0.00 H +ATOM 11941 O1 WAT A3981 24.762 9.215 46.461 1.00 0.00 O +ATOM 11942 H1 WAT A3981 25.335 8.778 47.090 1.00 0.00 H +ATOM 11943 H2 WAT A3981 25.006 8.843 45.614 1.00 0.00 H +ATOM 11944 O1 WAT A3982 57.598 19.204 48.930 1.00 0.00 O +ATOM 11945 H1 WAT A3982 57.075 19.881 48.501 1.00 0.00 H +ATOM 11946 H2 WAT A3982 57.578 19.436 49.857 1.00 0.00 H +ATOM 11947 O1 WAT A3983 47.523 14.792 55.061 1.00 0.00 O +ATOM 11948 H1 WAT A3983 46.601 15.049 55.089 1.00 0.00 H +ATOM 11949 H2 WAT A3983 47.918 15.235 55.811 1.00 0.00 H +ATOM 11950 O1 WAT A3984 53.538 8.226 31.798 1.00 0.00 O +ATOM 11951 H1 WAT A3984 53.909 9.102 31.693 1.00 0.00 H +ATOM 11952 H2 WAT A3984 52.598 8.345 31.667 1.00 0.00 H +ATOM 11953 O1 WAT A3985 54.572 39.703 38.518 1.00 0.00 O +ATOM 11954 H1 WAT A3985 54.979 38.912 38.871 1.00 0.00 H +ATOM 11955 H2 WAT A3985 53.830 39.871 39.097 1.00 0.00 H +ATOM 11956 O1 WAT A3986 6.651 0.768 1.631 1.00 0.00 O +ATOM 11957 H1 WAT A3986 7.265 1.498 1.711 1.00 0.00 H +ATOM 11958 H2 WAT A3986 7.171 -0.008 1.839 1.00 0.00 H +ATOM 11959 O1 WAT A3987 14.494 32.278 3.850 1.00 0.00 O +ATOM 11960 H1 WAT A3987 13.598 31.943 3.869 1.00 0.00 H +ATOM 11961 H2 WAT A3987 14.411 33.168 3.509 1.00 0.00 H +ATOM 11962 O1 WAT A3988 44.172 52.047 38.343 1.00 0.00 O +ATOM 11963 H1 WAT A3988 43.317 51.633 38.221 1.00 0.00 H +ATOM 11964 H2 WAT A3988 44.711 51.368 38.748 1.00 0.00 H +ATOM 11965 O1 WAT A3989 32.308 23.357 44.139 1.00 0.00 O +ATOM 11966 H1 WAT A3989 32.807 23.217 43.334 1.00 0.00 H +ATOM 11967 H2 WAT A3989 32.537 24.245 44.412 1.00 0.00 H +ATOM 11968 O1 WAT A3990 9.054 27.808 21.553 1.00 0.00 O +ATOM 11969 H1 WAT A3990 8.897 28.750 21.619 1.00 0.00 H +ATOM 11970 H2 WAT A3990 9.139 27.514 22.460 1.00 0.00 H +ATOM 11971 O1 WAT A3991 1.422 49.525 42.132 1.00 0.00 O +ATOM 11972 H1 WAT A3991 1.154 50.263 42.679 1.00 0.00 H +ATOM 11973 H2 WAT A3991 0.601 49.106 41.874 1.00 0.00 H +ATOM 11974 O1 WAT A3992 50.944 5.058 19.089 1.00 0.00 O +ATOM 11975 H1 WAT A3992 51.167 4.441 19.787 1.00 0.00 H +ATOM 11976 H2 WAT A3992 51.266 4.643 18.289 1.00 0.00 H +ATOM 11977 O1 WAT A3993 18.670 43.577 18.195 1.00 0.00 O +ATOM 11978 H1 WAT A3993 18.922 44.499 18.132 1.00 0.00 H +ATOM 11979 H2 WAT A3993 19.391 43.164 18.670 1.00 0.00 H +ATOM 11980 O1 WAT A3994 52.185 28.985 0.168 1.00 0.00 O +ATOM 11981 H1 WAT A3994 51.286 28.701 -0.000 1.00 0.00 H +ATOM 11982 H2 WAT A3994 52.091 29.818 0.629 1.00 0.00 H +ATOM 11983 O1 WAT A3995 40.354 12.694 31.344 1.00 0.00 O +ATOM 11984 H1 WAT A3995 41.099 12.216 30.977 1.00 0.00 H +ATOM 11985 H2 WAT A3995 40.061 13.264 30.634 1.00 0.00 H +ATOM 11986 O1 WAT A3996 8.469 4.802 43.002 1.00 0.00 O +ATOM 11987 H1 WAT A3996 8.380 4.031 43.563 1.00 0.00 H +ATOM 11988 H2 WAT A3996 8.971 4.494 42.248 1.00 0.00 H +ATOM 11989 O1 WAT A3997 17.498 9.147 32.645 1.00 0.00 O +ATOM 11990 H1 WAT A3997 17.416 10.020 32.260 1.00 0.00 H +ATOM 11991 H2 WAT A3997 17.489 8.552 31.897 1.00 0.00 H +ATOM 11992 O1 WAT A3998 5.649 41.204 36.668 1.00 0.00 O +ATOM 11993 H1 WAT A3998 4.831 41.223 37.164 1.00 0.00 H +ATOM 11994 H2 WAT A3998 6.326 41.414 37.311 1.00 0.00 H +ATOM 11995 O1 WAT A3999 15.633 28.381 16.257 1.00 0.00 O +ATOM 11996 H1 WAT A3999 15.891 27.788 15.552 1.00 0.00 H +ATOM 11997 H2 WAT A3999 14.877 28.853 15.910 1.00 0.00 H +ATOM 11998 O1 WAT A4000 52.114 50.481 29.796 1.00 0.00 O +ATOM 11999 H1 WAT A4000 52.587 51.289 29.997 1.00 0.00 H +ATOM 12000 H2 WAT A4000 52.676 49.784 30.132 1.00 0.00 H +ATOM 12001 O1 WAT A4001 22.855 15.299 26.839 1.00 0.00 O +ATOM 12002 H1 WAT A4001 23.589 14.984 26.311 1.00 0.00 H +ATOM 12003 H2 WAT A4001 22.109 15.296 26.239 1.00 0.00 H +ATOM 12004 O1 WAT A4002 30.590 40.531 31.673 1.00 0.00 O +ATOM 12005 H1 WAT A4002 31.056 41.322 31.401 1.00 0.00 H +ATOM 12006 H2 WAT A4002 31.279 39.881 31.808 1.00 0.00 H +ATOM 12007 O1 WAT A4003 57.270 35.006 20.780 1.00 0.00 O +ATOM 12008 H1 WAT A4003 57.858 34.293 20.532 1.00 0.00 H +ATOM 12009 H2 WAT A4003 56.695 35.118 20.023 1.00 0.00 H +ATOM 12010 O1 WAT A4004 57.936 9.278 48.279 1.00 0.00 O +ATOM 12011 H1 WAT A4004 57.838 10.222 48.150 1.00 0.00 H +ATOM 12012 H2 WAT A4004 57.298 9.060 48.957 1.00 0.00 H +ATOM 12013 O1 WAT A4005 46.953 47.302 12.496 1.00 0.00 O +ATOM 12014 H1 WAT A4005 46.540 46.439 12.471 1.00 0.00 H +ATOM 12015 H2 WAT A4005 46.267 47.889 12.813 1.00 0.00 H +ATOM 12016 O1 WAT A4006 43.767 32.997 37.588 1.00 0.00 O +ATOM 12017 H1 WAT A4006 42.940 33.433 37.379 1.00 0.00 H +ATOM 12018 H2 WAT A4006 43.673 32.117 37.223 1.00 0.00 H +ATOM 12019 O1 WAT A4007 26.755 19.850 20.841 1.00 0.00 O +ATOM 12020 H1 WAT A4007 27.050 19.673 19.947 1.00 0.00 H +ATOM 12021 H2 WAT A4007 27.393 20.474 21.186 1.00 0.00 H +ATOM 12022 O1 WAT A4008 5.948 12.687 24.633 1.00 0.00 O +ATOM 12023 H1 WAT A4008 5.554 12.550 23.772 1.00 0.00 H +ATOM 12024 H2 WAT A4008 5.251 13.080 25.157 1.00 0.00 H +ATOM 12025 O1 WAT A4009 19.055 56.237 55.282 1.00 0.00 O +ATOM 12026 H1 WAT A4009 19.500 55.772 55.991 1.00 0.00 H +ATOM 12027 H2 WAT A4009 19.174 57.163 55.490 1.00 0.00 H +ATOM 12028 O1 WAT A4010 27.444 56.901 55.808 1.00 0.00 O +ATOM 12029 H1 WAT A4010 27.872 56.051 55.701 1.00 0.00 H +ATOM 12030 H2 WAT A4010 27.436 57.049 56.753 1.00 0.00 H +ATOM 12031 O1 WAT A4011 16.167 9.876 49.666 1.00 0.00 O +ATOM 12032 H1 WAT A4011 15.286 9.932 50.038 1.00 0.00 H +ATOM 12033 H2 WAT A4011 16.693 9.470 50.354 1.00 0.00 H +ATOM 12034 O1 WAT A4012 57.170 47.297 29.585 1.00 0.00 O +ATOM 12035 H1 WAT A4012 56.550 47.622 30.239 1.00 0.00 H +ATOM 12036 H2 WAT A4012 58.013 47.285 30.037 1.00 0.00 H +ATOM 12037 O1 WAT A4013 38.531 25.490 28.577 1.00 0.00 O +ATOM 12038 H1 WAT A4013 38.202 26.271 29.022 1.00 0.00 H +ATOM 12039 H2 WAT A4013 39.482 25.548 28.660 1.00 0.00 H +ATOM 12040 O1 WAT A4014 28.928 38.891 14.673 1.00 0.00 O +ATOM 12041 H1 WAT A4014 28.032 39.219 14.744 1.00 0.00 H +ATOM 12042 H2 WAT A4014 29.439 39.461 15.246 1.00 0.00 H +ATOM 12043 O1 WAT A4015 8.046 15.719 27.137 1.00 0.00 O +ATOM 12044 H1 WAT A4015 8.300 14.835 27.405 1.00 0.00 H +ATOM 12045 H2 WAT A4015 7.094 15.732 27.227 1.00 0.00 H +ATOM 12046 O1 WAT A4016 50.085 54.430 19.923 1.00 0.00 O +ATOM 12047 H1 WAT A4016 49.483 55.169 20.016 1.00 0.00 H +ATOM 12048 H2 WAT A4016 50.851 54.678 20.440 1.00 0.00 H +ATOM 12049 O1 WAT A4017 42.374 41.776 33.027 1.00 0.00 O +ATOM 12050 H1 WAT A4017 42.317 41.113 33.715 1.00 0.00 H +ATOM 12051 H2 WAT A4017 41.466 42.030 32.863 1.00 0.00 H +ATOM 12052 O1 WAT A4018 53.041 49.622 54.683 1.00 0.00 O +ATOM 12053 H1 WAT A4018 53.859 49.353 54.265 1.00 0.00 H +ATOM 12054 H2 WAT A4018 53.252 50.448 55.115 1.00 0.00 H +ATOM 12055 O1 WAT A4019 21.175 16.898 9.044 1.00 0.00 O +ATOM 12056 H1 WAT A4019 21.010 16.076 9.505 1.00 0.00 H +ATOM 12057 H2 WAT A4019 20.670 17.551 9.529 1.00 0.00 H +ATOM 12058 O1 WAT A4020 13.111 5.191 21.903 1.00 0.00 O +ATOM 12059 H1 WAT A4020 12.602 4.987 22.688 1.00 0.00 H +ATOM 12060 H2 WAT A4020 14.012 4.968 22.136 1.00 0.00 H +ATOM 12061 O1 WAT A4021 32.825 52.616 38.740 1.00 0.00 O +ATOM 12062 H1 WAT A4021 33.500 52.553 39.416 1.00 0.00 H +ATOM 12063 H2 WAT A4021 33.290 52.932 37.966 1.00 0.00 H +ATOM 12064 O1 WAT A4022 56.024 14.224 29.228 1.00 0.00 O +ATOM 12065 H1 WAT A4022 55.088 14.420 29.267 1.00 0.00 H +ATOM 12066 H2 WAT A4022 56.446 14.985 29.625 1.00 0.00 H +ATOM 12067 O1 WAT A4023 41.926 4.181 33.846 1.00 0.00 O +ATOM 12068 H1 WAT A4023 42.143 3.262 34.005 1.00 0.00 H +ATOM 12069 H2 WAT A4023 42.723 4.555 33.472 1.00 0.00 H +ATOM 12070 O1 WAT A4024 39.764 13.244 16.851 1.00 0.00 O +ATOM 12071 H1 WAT A4024 39.348 13.146 15.994 1.00 0.00 H +ATOM 12072 H2 WAT A4024 39.101 13.672 17.393 1.00 0.00 H +ATOM 12073 O1 WAT A4025 30.362 23.612 30.757 1.00 0.00 O +ATOM 12074 H1 WAT A4025 30.623 22.709 30.576 1.00 0.00 H +ATOM 12075 H2 WAT A4025 29.433 23.553 30.979 1.00 0.00 H +ATOM 12076 O1 WAT A4026 39.050 16.095 11.738 1.00 0.00 O +ATOM 12077 H1 WAT A4026 38.695 16.237 10.860 1.00 0.00 H +ATOM 12078 H2 WAT A4026 39.740 16.752 11.827 1.00 0.00 H +ATOM 12079 O1 WAT A4027 49.290 49.225 51.000 1.00 0.00 O +ATOM 12080 H1 WAT A4027 49.983 49.419 50.368 1.00 0.00 H +ATOM 12081 H2 WAT A4027 49.343 49.934 51.639 1.00 0.00 H +ATOM 12082 O1 WAT A4028 51.695 39.497 53.256 1.00 0.00 O +ATOM 12083 H1 WAT A4028 51.408 39.592 54.164 1.00 0.00 H +ATOM 12084 H2 WAT A4028 52.641 39.369 53.315 1.00 0.00 H +ATOM 12085 O1 WAT A4029 20.766 52.647 46.594 1.00 0.00 O +ATOM 12086 H1 WAT A4029 21.652 52.937 46.812 1.00 0.00 H +ATOM 12087 H2 WAT A4029 20.436 53.315 45.993 1.00 0.00 H +ATOM 12088 O1 WAT A4030 36.990 20.184 27.487 1.00 0.00 O +ATOM 12089 H1 WAT A4030 37.885 19.886 27.326 1.00 0.00 H +ATOM 12090 H2 WAT A4030 36.813 20.806 26.783 1.00 0.00 H +ATOM 12091 O1 WAT A4031 47.181 29.176 55.132 1.00 0.00 O +ATOM 12092 H1 WAT A4031 47.243 28.416 54.554 1.00 0.00 H +ATOM 12093 H2 WAT A4031 48.073 29.520 55.174 1.00 0.00 H +ATOM 12094 O1 WAT A4032 23.852 0.276 41.278 1.00 0.00 O +ATOM 12095 H1 WAT A4032 23.372 0.044 40.482 1.00 0.00 H +ATOM 12096 H2 WAT A4032 24.774 0.210 41.030 1.00 0.00 H +ATOM 12097 O1 WAT A4033 55.503 33.281 15.054 1.00 0.00 O +ATOM 12098 H1 WAT A4033 54.627 33.470 15.389 1.00 0.00 H +ATOM 12099 H2 WAT A4033 55.387 33.202 14.108 1.00 0.00 H +ATOM 12100 O1 WAT A4034 47.250 43.138 29.079 1.00 0.00 O +ATOM 12101 H1 WAT A4034 46.823 43.990 28.987 1.00 0.00 H +ATOM 12102 H2 WAT A4034 48.166 43.304 28.854 1.00 0.00 H +ATOM 12103 O1 WAT A4035 8.718 21.230 44.987 1.00 0.00 O +ATOM 12104 H1 WAT A4035 8.175 21.514 44.251 1.00 0.00 H +ATOM 12105 H2 WAT A4035 9.577 21.063 44.600 1.00 0.00 H +ATOM 12106 O1 WAT A4036 36.051 34.344 47.899 1.00 0.00 O +ATOM 12107 H1 WAT A4036 36.023 35.089 48.500 1.00 0.00 H +ATOM 12108 H2 WAT A4036 35.138 34.072 47.812 1.00 0.00 H +ATOM 12109 O1 WAT A4037 20.512 12.061 19.845 1.00 0.00 O +ATOM 12110 H1 WAT A4037 21.205 12.722 19.828 1.00 0.00 H +ATOM 12111 H2 WAT A4037 20.953 11.258 20.121 1.00 0.00 H +ATOM 12112 O1 WAT A4038 47.838 41.771 52.530 1.00 0.00 O +ATOM 12113 H1 WAT A4038 47.927 40.818 52.526 1.00 0.00 H +ATOM 12114 H2 WAT A4038 48.056 42.029 53.425 1.00 0.00 H +ATOM 12115 O1 WAT A4039 8.229 26.283 33.249 1.00 0.00 O +ATOM 12116 H1 WAT A4039 9.107 26.201 33.623 1.00 0.00 H +ATOM 12117 H2 WAT A4039 7.730 26.762 33.910 1.00 0.00 H +ATOM 12118 O1 WAT A4040 0.696 37.710 34.607 1.00 0.00 O +ATOM 12119 H1 WAT A4040 -0.013 38.061 34.068 1.00 0.00 H +ATOM 12120 H2 WAT A4040 0.521 36.770 34.651 1.00 0.00 H +ATOM 12121 O1 WAT A4041 37.851 4.856 1.771 1.00 0.00 O +ATOM 12122 H1 WAT A4041 38.351 4.076 2.013 1.00 0.00 H +ATOM 12123 H2 WAT A4041 38.413 5.319 1.151 1.00 0.00 H +ATOM 12124 O1 WAT A4042 35.247 51.200 46.578 1.00 0.00 O +ATOM 12125 H1 WAT A4042 36.005 50.691 46.290 1.00 0.00 H +ATOM 12126 H2 WAT A4042 34.537 50.919 46.001 1.00 0.00 H +ATOM 12127 O1 WAT A4043 45.337 39.923 37.919 1.00 0.00 O +ATOM 12128 H1 WAT A4043 46.129 39.404 38.058 1.00 0.00 H +ATOM 12129 H2 WAT A4043 44.621 39.347 38.185 1.00 0.00 H +ATOM 12130 O1 WAT A4044 24.332 29.700 19.589 1.00 0.00 O +ATOM 12131 H1 WAT A4044 23.836 28.979 19.979 1.00 0.00 H +ATOM 12132 H2 WAT A4044 24.381 30.360 20.280 1.00 0.00 H +ATOM 12133 O1 WAT A4045 14.097 32.791 47.585 1.00 0.00 O +ATOM 12134 H1 WAT A4045 13.411 32.142 47.432 1.00 0.00 H +ATOM 12135 H2 WAT A4045 14.912 32.333 47.381 1.00 0.00 H +ATOM 12136 O1 WAT A4046 51.675 20.703 9.903 1.00 0.00 O +ATOM 12137 H1 WAT A4046 51.099 21.357 10.300 1.00 0.00 H +ATOM 12138 H2 WAT A4046 52.248 21.207 9.326 1.00 0.00 H +ATOM 12139 O1 WAT A4047 43.007 3.431 26.065 1.00 0.00 O +ATOM 12140 H1 WAT A4047 43.014 4.135 26.713 1.00 0.00 H +ATOM 12141 H2 WAT A4047 42.080 3.281 25.882 1.00 0.00 H +ATOM 12142 O1 WAT A4048 39.533 23.821 18.089 1.00 0.00 O +ATOM 12143 H1 WAT A4048 40.359 23.432 18.378 1.00 0.00 H +ATOM 12144 H2 WAT A4048 39.681 24.765 18.142 1.00 0.00 H +ATOM 12145 O1 WAT A4049 49.743 7.196 4.044 1.00 0.00 O +ATOM 12146 H1 WAT A4049 50.011 7.843 3.391 1.00 0.00 H +ATOM 12147 H2 WAT A4049 49.107 6.645 3.588 1.00 0.00 H +ATOM 12148 O1 WAT A4050 51.228 45.179 44.378 1.00 0.00 O +ATOM 12149 H1 WAT A4050 51.860 44.940 45.056 1.00 0.00 H +ATOM 12150 H2 WAT A4050 51.475 46.066 44.121 1.00 0.00 H +ATOM 12151 O1 WAT A4051 14.355 18.699 29.150 1.00 0.00 O +ATOM 12152 H1 WAT A4051 13.744 18.981 29.830 1.00 0.00 H +ATOM 12153 H2 WAT A4051 14.523 19.487 28.635 1.00 0.00 H +ATOM 12154 O1 WAT A4052 48.372 34.836 21.975 1.00 0.00 O +ATOM 12155 H1 WAT A4052 48.524 33.937 21.681 1.00 0.00 H +ATOM 12156 H2 WAT A4052 48.435 34.790 22.929 1.00 0.00 H +ATOM 12157 O1 WAT A4053 51.006 36.919 35.472 1.00 0.00 O +ATOM 12158 H1 WAT A4053 51.294 36.537 34.642 1.00 0.00 H +ATOM 12159 H2 WAT A4053 51.715 37.509 35.724 1.00 0.00 H +ATOM 12160 O1 WAT A4054 35.961 15.227 38.997 1.00 0.00 O +ATOM 12161 H1 WAT A4054 35.283 14.784 38.487 1.00 0.00 H +ATOM 12162 H2 WAT A4054 36.779 15.005 38.553 1.00 0.00 H +ATOM 12163 O1 WAT A4055 35.100 18.761 4.446 1.00 0.00 O +ATOM 12164 H1 WAT A4055 35.603 18.756 5.261 1.00 0.00 H +ATOM 12165 H2 WAT A4055 35.423 18.003 3.960 1.00 0.00 H +ATOM 12166 O1 WAT A4056 14.689 27.606 3.559 1.00 0.00 O +ATOM 12167 H1 WAT A4056 15.619 27.379 3.555 1.00 0.00 H +ATOM 12168 H2 WAT A4056 14.258 26.844 3.944 1.00 0.00 H +ATOM 12169 O1 WAT A4057 14.211 32.680 12.756 1.00 0.00 O +ATOM 12170 H1 WAT A4057 14.549 33.318 12.127 1.00 0.00 H +ATOM 12171 H2 WAT A4057 14.040 31.896 12.236 1.00 0.00 H +ATOM 12172 O1 WAT A4058 57.448 9.463 8.176 1.00 0.00 O +ATOM 12173 H1 WAT A4058 58.003 8.682 8.160 1.00 0.00 H +ATOM 12174 H2 WAT A4058 58.011 10.164 7.850 1.00 0.00 H +ATOM 12175 O1 WAT A4059 41.919 6.206 9.435 1.00 0.00 O +ATOM 12176 H1 WAT A4059 41.770 6.783 8.686 1.00 0.00 H +ATOM 12177 H2 WAT A4059 42.631 5.631 9.158 1.00 0.00 H +ATOM 12178 O1 WAT A4060 17.161 54.116 29.794 1.00 0.00 O +ATOM 12179 H1 WAT A4060 17.499 53.239 29.974 1.00 0.00 H +ATOM 12180 H2 WAT A4060 16.214 54.036 29.904 1.00 0.00 H +ATOM 12181 O1 WAT A4061 10.833 8.514 38.288 1.00 0.00 O +ATOM 12182 H1 WAT A4061 11.120 7.738 37.806 1.00 0.00 H +ATOM 12183 H2 WAT A4061 11.314 8.474 39.114 1.00 0.00 H +ATOM 12184 O1 WAT A4062 57.673 4.362 22.676 1.00 0.00 O +ATOM 12185 H1 WAT A4062 58.000 5.102 22.164 1.00 0.00 H +ATOM 12186 H2 WAT A4062 57.143 3.859 22.060 1.00 0.00 H +ATOM 12187 O1 WAT A4063 5.191 50.530 41.370 1.00 0.00 O +ATOM 12188 H1 WAT A4063 4.320 50.143 41.285 1.00 0.00 H +ATOM 12189 H2 WAT A4063 5.064 51.281 41.950 1.00 0.00 H +ATOM 12190 O1 WAT A4064 12.755 2.227 18.514 1.00 0.00 O +ATOM 12191 H1 WAT A4064 11.798 2.181 18.503 1.00 0.00 H +ATOM 12192 H2 WAT A4064 12.957 3.099 18.175 1.00 0.00 H +ATOM 12193 O1 WAT A4065 16.790 41.167 14.103 1.00 0.00 O +ATOM 12194 H1 WAT A4065 16.823 42.075 14.405 1.00 0.00 H +ATOM 12195 H2 WAT A4065 16.128 41.168 13.413 1.00 0.00 H +ATOM 12196 O1 WAT A4066 36.284 42.740 38.870 1.00 0.00 O +ATOM 12197 H1 WAT A4066 36.810 43.251 38.254 1.00 0.00 H +ATOM 12198 H2 WAT A4066 36.033 41.957 38.381 1.00 0.00 H +ATOM 12199 O1 WAT A4067 7.054 17.194 40.926 1.00 0.00 O +ATOM 12200 H1 WAT A4067 7.451 16.454 40.467 1.00 0.00 H +ATOM 12201 H2 WAT A4067 7.640 17.362 41.663 1.00 0.00 H +ATOM 12202 O1 WAT A4068 20.698 28.802 18.152 1.00 0.00 O +ATOM 12203 H1 WAT A4068 21.137 29.383 17.531 1.00 0.00 H +ATOM 12204 H2 WAT A4068 21.405 28.295 18.549 1.00 0.00 H +ATOM 12205 O1 WAT A4069 33.283 39.471 28.381 1.00 0.00 O +ATOM 12206 H1 WAT A4069 33.293 40.324 28.817 1.00 0.00 H +ATOM 12207 H2 WAT A4069 33.001 39.661 27.487 1.00 0.00 H +ATOM 12208 O1 WAT A4070 27.702 2.665 24.136 1.00 0.00 O +ATOM 12209 H1 WAT A4070 28.488 2.747 24.676 1.00 0.00 H +ATOM 12210 H2 WAT A4070 27.309 3.537 24.150 1.00 0.00 H +ATOM 12211 O1 WAT A4071 39.557 36.770 25.894 1.00 0.00 O +ATOM 12212 H1 WAT A4071 40.477 36.837 26.150 1.00 0.00 H +ATOM 12213 H2 WAT A4071 39.303 35.881 26.140 1.00 0.00 H +ATOM 12214 O1 WAT A4072 11.842 44.573 47.538 1.00 0.00 O +ATOM 12215 H1 WAT A4072 11.932 45.515 47.681 1.00 0.00 H +ATOM 12216 H2 WAT A4072 11.409 44.499 46.688 1.00 0.00 H +ATOM 12217 O1 WAT A4073 51.254 1.117 22.881 1.00 0.00 O +ATOM 12218 H1 WAT A4073 50.354 0.947 23.160 1.00 0.00 H +ATOM 12219 H2 WAT A4073 51.633 1.634 23.592 1.00 0.00 H +ATOM 12220 O1 WAT A4074 4.717 55.134 34.738 1.00 0.00 O +ATOM 12221 H1 WAT A4074 4.583 56.082 34.766 1.00 0.00 H +ATOM 12222 H2 WAT A4074 5.666 55.025 34.782 1.00 0.00 H +ATOM 12223 O1 WAT A4075 2.591 53.321 33.964 1.00 0.00 O +ATOM 12224 H1 WAT A4075 3.174 52.835 33.380 1.00 0.00 H +ATOM 12225 H2 WAT A4075 2.892 54.228 33.902 1.00 0.00 H +ATOM 12226 O1 WAT A4076 54.039 18.727 48.982 1.00 0.00 O +ATOM 12227 H1 WAT A4076 54.024 18.119 49.721 1.00 0.00 H +ATOM 12228 H2 WAT A4076 53.117 18.891 48.787 1.00 0.00 H +ATOM 12229 O1 WAT A4077 34.947 47.327 41.681 1.00 0.00 O +ATOM 12230 H1 WAT A4077 35.129 47.304 42.621 1.00 0.00 H +ATOM 12231 H2 WAT A4077 35.041 46.419 41.395 1.00 0.00 H +ATOM 12232 O1 WAT A4078 49.743 32.003 12.380 1.00 0.00 O +ATOM 12233 H1 WAT A4078 48.875 31.624 12.517 1.00 0.00 H +ATOM 12234 H2 WAT A4078 50.335 31.252 12.369 1.00 0.00 H +ATOM 12235 O1 WAT A4079 37.426 49.906 8.924 1.00 0.00 O +ATOM 12236 H1 WAT A4079 38.079 50.521 9.257 1.00 0.00 H +ATOM 12237 H2 WAT A4079 37.778 49.042 9.137 1.00 0.00 H +ATOM 12238 O1 WAT A4080 18.857 9.691 48.660 1.00 0.00 O +ATOM 12239 H1 WAT A4080 18.823 9.052 49.372 1.00 0.00 H +ATOM 12240 H2 WAT A4080 19.789 9.779 48.461 1.00 0.00 H +ATOM 12241 O1 WAT A4081 25.568 37.070 49.505 1.00 0.00 O +ATOM 12242 H1 WAT A4081 26.294 37.675 49.656 1.00 0.00 H +ATOM 12243 H2 WAT A4081 24.808 37.635 49.370 1.00 0.00 H +ATOM 12244 O1 WAT A4082 18.019 12.929 42.010 1.00 0.00 O +ATOM 12245 H1 WAT A4082 18.625 13.670 41.979 1.00 0.00 H +ATOM 12246 H2 WAT A4082 17.185 13.288 41.710 1.00 0.00 H +ATOM 12247 O1 WAT A4083 44.439 39.951 18.014 1.00 0.00 O +ATOM 12248 H1 WAT A4083 43.663 39.796 17.476 1.00 0.00 H +ATOM 12249 H2 WAT A4083 44.808 40.766 17.676 1.00 0.00 H +ATOM 12250 O1 WAT A4084 42.777 55.926 36.447 1.00 0.00 O +ATOM 12251 H1 WAT A4084 42.544 55.993 35.521 1.00 0.00 H +ATOM 12252 H2 WAT A4084 42.505 55.044 36.700 1.00 0.00 H +ATOM 12253 O1 WAT A4085 32.754 18.499 7.468 1.00 0.00 O +ATOM 12254 H1 WAT A4085 31.913 18.114 7.716 1.00 0.00 H +ATOM 12255 H2 WAT A4085 32.793 19.323 7.953 1.00 0.00 H +ATOM 12256 O1 WAT A4086 16.677 47.852 40.582 1.00 0.00 O +ATOM 12257 H1 WAT A4086 17.498 48.004 41.049 1.00 0.00 H +ATOM 12258 H2 WAT A4086 16.946 47.588 39.703 1.00 0.00 H +ATOM 12259 O1 WAT A4087 49.984 48.065 47.672 1.00 0.00 O +ATOM 12260 H1 WAT A4087 50.055 49.018 47.618 1.00 0.00 H +ATOM 12261 H2 WAT A4087 49.518 47.904 48.491 1.00 0.00 H +ATOM 12262 O1 WAT A4088 12.214 25.376 34.113 1.00 0.00 O +ATOM 12263 H1 WAT A4088 11.755 26.193 33.916 1.00 0.00 H +ATOM 12264 H2 WAT A4088 13.099 25.510 33.774 1.00 0.00 H +ATOM 12265 O1 WAT A4089 6.651 21.121 30.145 1.00 0.00 O +ATOM 12266 H1 WAT A4089 7.558 21.349 30.353 1.00 0.00 H +ATOM 12267 H2 WAT A4089 6.626 20.166 30.192 1.00 0.00 H +ATOM 12268 O1 WAT A4090 37.717 26.360 13.767 1.00 0.00 O +ATOM 12269 H1 WAT A4090 36.835 26.080 13.519 1.00 0.00 H +ATOM 12270 H2 WAT A4090 37.619 26.707 14.653 1.00 0.00 H +ATOM 12271 O1 WAT A4091 55.978 19.577 51.680 1.00 0.00 O +ATOM 12272 H1 WAT A4091 55.493 18.934 51.162 1.00 0.00 H +ATOM 12273 H2 WAT A4091 55.655 20.424 51.375 1.00 0.00 H +ATOM 12274 O1 WAT A4092 46.196 13.180 11.072 1.00 0.00 O +ATOM 12275 H1 WAT A4092 46.146 13.266 10.120 1.00 0.00 H +ATOM 12276 H2 WAT A4092 46.332 12.245 11.222 1.00 0.00 H +ATOM 12277 O1 WAT A4093 38.610 48.641 15.247 1.00 0.00 O +ATOM 12278 H1 WAT A4093 38.586 47.684 15.242 1.00 0.00 H +ATOM 12279 H2 WAT A4093 37.749 48.902 15.572 1.00 0.00 H +ATOM 12280 O1 WAT A4094 21.784 31.684 4.413 1.00 0.00 O +ATOM 12281 H1 WAT A4094 22.714 31.911 4.442 1.00 0.00 H +ATOM 12282 H2 WAT A4094 21.766 30.733 4.518 1.00 0.00 H +ATOM 12283 O1 WAT A4095 26.726 10.798 48.166 1.00 0.00 O +ATOM 12284 H1 WAT A4095 27.397 10.689 48.840 1.00 0.00 H +ATOM 12285 H2 WAT A4095 26.524 11.733 48.177 1.00 0.00 H +ATOM 12286 O1 WAT A4096 2.899 56.167 28.360 1.00 0.00 O +ATOM 12287 H1 WAT A4096 3.310 55.636 29.042 1.00 0.00 H +ATOM 12288 H2 WAT A4096 3.544 56.846 28.163 1.00 0.00 H +ATOM 12289 O1 WAT A4097 28.346 21.128 6.306 1.00 0.00 O +ATOM 12290 H1 WAT A4097 27.545 20.688 6.594 1.00 0.00 H +ATOM 12291 H2 WAT A4097 28.334 21.969 6.761 1.00 0.00 H +ATOM 12292 O1 WAT A4098 43.761 17.076 31.488 1.00 0.00 O +ATOM 12293 H1 WAT A4098 42.819 17.234 31.553 1.00 0.00 H +ATOM 12294 H2 WAT A4098 43.838 16.327 30.897 1.00 0.00 H +ATOM 12295 O1 WAT A4099 16.966 14.842 44.646 1.00 0.00 O +ATOM 12296 H1 WAT A4099 17.868 15.145 44.539 1.00 0.00 H +ATOM 12297 H2 WAT A4099 16.742 14.451 43.802 1.00 0.00 H +ATOM 12298 O1 WAT A4100 32.914 43.555 17.406 1.00 0.00 O +ATOM 12299 H1 WAT A4100 33.291 44.326 16.983 1.00 0.00 H +ATOM 12300 H2 WAT A4100 31.969 43.688 17.349 1.00 0.00 H +ATOM 12301 O1 WAT A4101 0.527 51.309 26.737 1.00 0.00 O +ATOM 12302 H1 WAT A4101 0.915 52.174 26.873 1.00 0.00 H +ATOM 12303 H2 WAT A4101 1.276 50.719 26.660 1.00 0.00 H +ATOM 12304 O1 WAT A4102 32.842 7.471 46.968 1.00 0.00 O +ATOM 12305 H1 WAT A4102 32.725 7.995 46.176 1.00 0.00 H +ATOM 12306 H2 WAT A4102 33.219 6.648 46.659 1.00 0.00 H +ATOM 12307 O1 WAT A4103 47.017 28.287 16.315 1.00 0.00 O +ATOM 12308 H1 WAT A4103 46.268 28.608 16.816 1.00 0.00 H +ATOM 12309 H2 WAT A4103 46.636 27.704 15.660 1.00 0.00 H +ATOM 12310 O1 WAT A4104 10.051 38.535 55.680 1.00 0.00 O +ATOM 12311 H1 WAT A4104 10.924 38.205 55.893 1.00 0.00 H +ATOM 12312 H2 WAT A4104 10.194 39.446 55.427 1.00 0.00 H +ATOM 12313 O1 WAT A4105 4.756 48.380 48.495 1.00 0.00 O +ATOM 12314 H1 WAT A4105 4.816 48.650 49.411 1.00 0.00 H +ATOM 12315 H2 WAT A4105 5.484 47.770 48.376 1.00 0.00 H +ATOM 12316 O1 WAT A4106 55.472 0.617 37.369 1.00 0.00 O +ATOM 12317 H1 WAT A4106 56.314 1.003 37.611 1.00 0.00 H +ATOM 12318 H2 WAT A4106 55.138 0.241 38.183 1.00 0.00 H +ATOM 12319 O1 WAT A4107 16.375 52.786 12.005 1.00 0.00 O +ATOM 12320 H1 WAT A4107 16.949 52.022 12.075 1.00 0.00 H +ATOM 12321 H2 WAT A4107 16.496 53.254 12.830 1.00 0.00 H +ATOM 12322 O1 WAT A4108 42.086 23.007 41.409 1.00 0.00 O +ATOM 12323 H1 WAT A4108 41.599 23.238 42.200 1.00 0.00 H +ATOM 12324 H2 WAT A4108 42.073 23.803 40.878 1.00 0.00 H +ATOM 12325 O1 WAT A4109 8.073 36.046 56.128 1.00 0.00 O +ATOM 12326 H1 WAT A4109 7.580 35.226 56.158 1.00 0.00 H +ATOM 12327 H2 WAT A4109 7.511 36.680 56.572 1.00 0.00 H +ATOM 12328 O1 WAT A4110 22.155 23.799 54.762 1.00 0.00 O +ATOM 12329 H1 WAT A4110 21.954 24.606 54.288 1.00 0.00 H +ATOM 12330 H2 WAT A4110 21.370 23.621 55.279 1.00 0.00 H +ATOM 12331 O1 WAT A4111 25.932 37.575 51.962 1.00 0.00 O +ATOM 12332 H1 WAT A4111 26.830 37.780 52.222 1.00 0.00 H +ATOM 12333 H2 WAT A4111 25.870 36.624 52.039 1.00 0.00 H +ATOM 12334 O1 WAT A4112 33.452 15.485 12.606 1.00 0.00 O +ATOM 12335 H1 WAT A4112 33.314 16.270 13.136 1.00 0.00 H +ATOM 12336 H2 WAT A4112 33.973 14.907 13.163 1.00 0.00 H +ATOM 12337 O1 WAT A4113 42.301 11.247 21.592 1.00 0.00 O +ATOM 12338 H1 WAT A4113 42.486 12.118 21.944 1.00 0.00 H +ATOM 12339 H2 WAT A4113 41.430 11.034 21.924 1.00 0.00 H +ATOM 12340 O1 WAT A4114 20.120 13.224 32.903 1.00 0.00 O +ATOM 12341 H1 WAT A4114 20.271 12.735 33.712 1.00 0.00 H +ATOM 12342 H2 WAT A4114 20.755 13.939 32.932 1.00 0.00 H +ATOM 12343 O1 WAT A4115 25.976 43.861 49.270 1.00 0.00 O +ATOM 12344 H1 WAT A4115 25.187 43.327 49.361 1.00 0.00 H +ATOM 12345 H2 WAT A4115 25.885 44.539 49.939 1.00 0.00 H +ATOM 12346 O1 WAT A4116 4.828 27.306 40.053 1.00 0.00 O +ATOM 12347 H1 WAT A4116 5.106 27.718 40.871 1.00 0.00 H +ATOM 12348 H2 WAT A4116 4.262 27.956 39.637 1.00 0.00 H +ATOM 12349 O1 WAT A4117 41.607 35.189 28.127 1.00 0.00 O +ATOM 12350 H1 WAT A4117 41.921 36.004 27.736 1.00 0.00 H +ATOM 12351 H2 WAT A4117 40.851 34.943 27.594 1.00 0.00 H +ATOM 12352 O1 WAT A4118 58.014 37.580 13.687 1.00 0.00 O +ATOM 12353 H1 WAT A4118 57.330 38.126 14.077 1.00 0.00 H +ATOM 12354 H2 WAT A4118 57.557 36.790 13.401 1.00 0.00 H +ATOM 12355 O1 WAT A4119 26.136 21.112 8.400 1.00 0.00 O +ATOM 12356 H1 WAT A4119 26.094 20.183 8.171 1.00 0.00 H +ATOM 12357 H2 WAT A4119 25.545 21.539 7.781 1.00 0.00 H +ATOM 12358 O1 WAT A4120 45.234 0.544 56.483 1.00 0.00 O +ATOM 12359 H1 WAT A4120 44.728 1.074 57.098 1.00 0.00 H +ATOM 12360 H2 WAT A4120 44.634 0.380 55.756 1.00 0.00 H +ATOM 12361 O1 WAT A4121 47.448 16.363 34.667 1.00 0.00 O +ATOM 12362 H1 WAT A4121 47.796 15.663 34.114 1.00 0.00 H +ATOM 12363 H2 WAT A4121 47.359 15.963 35.532 1.00 0.00 H +ATOM 12364 O1 WAT A4122 2.598 48.815 34.643 1.00 0.00 O +ATOM 12365 H1 WAT A4122 3.241 49.510 34.784 1.00 0.00 H +ATOM 12366 H2 WAT A4122 2.930 48.329 33.889 1.00 0.00 H +ATOM 12367 O1 WAT A4123 17.782 29.994 14.982 1.00 0.00 O +ATOM 12368 H1 WAT A4123 17.996 29.351 14.305 1.00 0.00 H +ATOM 12369 H2 WAT A4123 17.509 29.469 15.733 1.00 0.00 H +ATOM 12370 O1 WAT A4124 41.412 26.534 44.879 1.00 0.00 O +ATOM 12371 H1 WAT A4124 41.947 25.767 44.676 1.00 0.00 H +ATOM 12372 H2 WAT A4124 41.423 26.589 45.834 1.00 0.00 H +ATOM 12373 O1 WAT A4125 13.636 11.709 55.737 1.00 0.00 O +ATOM 12374 H1 WAT A4125 14.033 12.569 55.594 1.00 0.00 H +ATOM 12375 H2 WAT A4125 12.706 11.841 55.555 1.00 0.00 H +ATOM 12376 O1 WAT A4126 17.032 42.894 33.547 1.00 0.00 O +ATOM 12377 H1 WAT A4126 16.687 43.466 34.233 1.00 0.00 H +ATOM 12378 H2 WAT A4126 17.951 43.146 33.463 1.00 0.00 H +ATOM 12379 O1 WAT A4127 28.714 8.405 18.001 1.00 0.00 O +ATOM 12380 H1 WAT A4127 27.890 8.845 18.211 1.00 0.00 H +ATOM 12381 H2 WAT A4127 28.460 7.677 17.436 1.00 0.00 H +ATOM 12382 O1 WAT A4128 0.291 50.574 45.660 1.00 0.00 O +ATOM 12383 H1 WAT A4128 0.213 50.473 46.609 1.00 0.00 H +ATOM 12384 H2 WAT A4128 0.054 51.486 45.495 1.00 0.00 H +ATOM 12385 O1 WAT A4129 29.792 47.871 20.312 1.00 0.00 O +ATOM 12386 H1 WAT A4129 29.832 46.914 20.306 1.00 0.00 H +ATOM 12387 H2 WAT A4129 29.428 48.102 19.458 1.00 0.00 H +ATOM 12388 O1 WAT A4130 52.693 43.052 20.006 1.00 0.00 O +ATOM 12389 H1 WAT A4130 52.171 43.809 20.273 1.00 0.00 H +ATOM 12390 H2 WAT A4130 52.099 42.528 19.469 1.00 0.00 H +ATOM 12391 O1 WAT A4131 13.310 18.352 14.904 1.00 0.00 O +ATOM 12392 H1 WAT A4131 14.240 18.206 14.727 1.00 0.00 H +ATOM 12393 H2 WAT A4131 13.125 17.816 15.674 1.00 0.00 H +ATOM 12394 O1 WAT A4132 55.194 26.035 54.142 1.00 0.00 O +ATOM 12395 H1 WAT A4132 55.832 25.937 53.434 1.00 0.00 H +ATOM 12396 H2 WAT A4132 54.403 26.356 53.710 1.00 0.00 H +ATOM 12397 O1 WAT A4133 18.600 12.608 29.004 1.00 0.00 O +ATOM 12398 H1 WAT A4133 19.169 12.105 28.420 1.00 0.00 H +ATOM 12399 H2 WAT A4133 18.111 11.946 29.491 1.00 0.00 H +ATOM 12400 O1 WAT A4134 49.100 52.867 32.356 1.00 0.00 O +ATOM 12401 H1 WAT A4134 49.769 53.278 32.904 1.00 0.00 H +ATOM 12402 H2 WAT A4134 49.057 51.963 32.667 1.00 0.00 H +ATOM 12403 O1 WAT A4135 57.702 35.669 34.221 1.00 0.00 O +ATOM 12404 H1 WAT A4135 56.934 35.419 33.708 1.00 0.00 H +ATOM 12405 H2 WAT A4135 58.018 34.849 34.598 1.00 0.00 H +ATOM 12406 O1 WAT A4136 4.129 33.987 49.048 1.00 0.00 O +ATOM 12407 H1 WAT A4136 4.838 34.512 48.678 1.00 0.00 H +ATOM 12408 H2 WAT A4136 3.975 34.366 49.913 1.00 0.00 H +ATOM 12409 O1 WAT A4137 9.990 41.753 24.644 1.00 0.00 O +ATOM 12410 H1 WAT A4137 9.586 42.533 24.263 1.00 0.00 H +ATOM 12411 H2 WAT A4137 10.031 41.127 23.922 1.00 0.00 H +ATOM 12412 O1 WAT A4138 22.999 40.979 48.836 1.00 0.00 O +ATOM 12413 H1 WAT A4138 23.370 41.561 49.499 1.00 0.00 H +ATOM 12414 H2 WAT A4138 23.757 40.650 48.354 1.00 0.00 H +ATOM 12415 O1 WAT A4139 26.047 47.003 48.935 1.00 0.00 O +ATOM 12416 H1 WAT A4139 26.030 46.502 48.119 1.00 0.00 H +ATOM 12417 H2 WAT A4139 26.871 46.753 49.353 1.00 0.00 H +ATOM 12418 O1 WAT A4140 51.194 5.533 3.929 1.00 0.00 O +ATOM 12419 H1 WAT A4140 50.543 5.060 4.447 1.00 0.00 H +ATOM 12420 H2 WAT A4140 51.482 4.902 3.270 1.00 0.00 H +ATOM 12421 O1 WAT A4141 27.757 10.228 30.456 1.00 0.00 O +ATOM 12422 H1 WAT A4141 26.862 10.328 30.782 1.00 0.00 H +ATOM 12423 H2 WAT A4141 27.821 9.307 30.209 1.00 0.00 H +ATOM 12424 O1 WAT A4142 12.700 41.839 47.247 1.00 0.00 O +ATOM 12425 H1 WAT A4142 12.326 42.452 47.881 1.00 0.00 H +ATOM 12426 H2 WAT A4142 12.024 41.174 47.127 1.00 0.00 H +ATOM 12427 O1 WAT A4143 33.612 5.677 4.162 1.00 0.00 O +ATOM 12428 H1 WAT A4143 34.528 5.439 4.302 1.00 0.00 H +ATOM 12429 H2 WAT A4143 33.117 4.917 4.465 1.00 0.00 H +ATOM 12430 O1 WAT A4144 44.051 10.370 8.351 1.00 0.00 O +ATOM 12431 H1 WAT A4144 44.800 10.617 7.808 1.00 0.00 H +ATOM 12432 H2 WAT A4144 43.785 9.513 8.019 1.00 0.00 H +ATOM 12433 O1 WAT A4145 49.451 30.528 25.539 1.00 0.00 O +ATOM 12434 H1 WAT A4145 50.163 31.093 25.840 1.00 0.00 H +ATOM 12435 H2 WAT A4145 48.670 31.078 25.590 1.00 0.00 H +ATOM 12436 O1 WAT A4146 39.123 28.588 2.431 1.00 0.00 O +ATOM 12437 H1 WAT A4146 39.584 29.304 2.869 1.00 0.00 H +ATOM 12438 H2 WAT A4146 38.690 29.002 1.684 1.00 0.00 H +ATOM 12439 O1 WAT A4147 46.674 12.602 13.373 1.00 0.00 O +ATOM 12440 H1 WAT A4147 47.366 12.253 13.934 1.00 0.00 H +ATOM 12441 H2 WAT A4147 45.899 12.627 13.934 1.00 0.00 H +ATOM 12442 O1 WAT A4148 49.470 57.504 55.865 1.00 0.00 O +ATOM 12443 H1 WAT A4148 49.062 56.641 55.801 1.00 0.00 H +ATOM 12444 H2 WAT A4148 50.303 57.411 55.403 1.00 0.00 H +ATOM 12445 O1 WAT A4149 19.768 0.340 32.362 1.00 0.00 O +ATOM 12446 H1 WAT A4149 20.045 0.821 31.582 1.00 0.00 H +ATOM 12447 H2 WAT A4149 19.625 1.016 33.023 1.00 0.00 H +ATOM 12448 O1 WAT A4150 41.017 19.288 14.164 1.00 0.00 O +ATOM 12449 H1 WAT A4150 40.199 19.104 14.626 1.00 0.00 H +ATOM 12450 H2 WAT A4150 40.818 19.118 13.244 1.00 0.00 H +ATOM 12451 O1 WAT A4151 39.664 39.124 26.742 1.00 0.00 O +ATOM 12452 H1 WAT A4151 39.980 39.852 27.278 1.00 0.00 H +ATOM 12453 H2 WAT A4151 39.776 39.424 25.841 1.00 0.00 H +ATOM 12454 O1 WAT A4152 36.252 38.047 18.983 1.00 0.00 O +ATOM 12455 H1 WAT A4152 37.053 37.975 19.502 1.00 0.00 H +ATOM 12456 H2 WAT A4152 36.418 38.774 18.384 1.00 0.00 H +ATOM 12457 O1 WAT A4153 47.892 48.536 33.405 1.00 0.00 O +ATOM 12458 H1 WAT A4153 48.266 49.130 34.055 1.00 0.00 H +ATOM 12459 H2 WAT A4153 48.623 48.320 32.827 1.00 0.00 H +ATOM 12460 O1 WAT A4154 46.783 27.100 46.768 1.00 0.00 O +ATOM 12461 H1 WAT A4154 46.403 27.978 46.816 1.00 0.00 H +ATOM 12462 H2 WAT A4154 47.650 27.191 47.161 1.00 0.00 H +ATOM 12463 O1 WAT A4155 26.753 34.750 23.464 1.00 0.00 O +ATOM 12464 H1 WAT A4155 26.306 35.000 22.656 1.00 0.00 H +ATOM 12465 H2 WAT A4155 27.355 34.055 23.201 1.00 0.00 H +ATOM 12466 O1 WAT A4156 50.115 1.786 49.069 1.00 0.00 O +ATOM 12467 H1 WAT A4156 50.113 2.743 49.095 1.00 0.00 H +ATOM 12468 H2 WAT A4156 50.627 1.526 49.834 1.00 0.00 H +ATOM 12469 O1 WAT A4157 45.488 51.593 23.947 1.00 0.00 O +ATOM 12470 H1 WAT A4157 46.433 51.529 24.080 1.00 0.00 H +ATOM 12471 H2 WAT A4157 45.136 50.789 24.327 1.00 0.00 H +ATOM 12472 O1 WAT A4158 40.456 23.734 31.861 1.00 0.00 O +ATOM 12473 H1 WAT A4158 41.291 23.887 31.418 1.00 0.00 H +ATOM 12474 H2 WAT A4158 40.696 23.328 32.693 1.00 0.00 H +ATOM 12475 O1 WAT A4159 2.578 12.902 28.092 1.00 0.00 O +ATOM 12476 H1 WAT A4159 2.540 11.946 28.057 1.00 0.00 H +ATOM 12477 H2 WAT A4159 1.701 13.187 27.835 1.00 0.00 H +ATOM 12478 O1 WAT A4160 24.880 43.799 56.271 1.00 0.00 O +ATOM 12479 H1 WAT A4160 24.502 44.661 56.099 1.00 0.00 H +ATOM 12480 H2 WAT A4160 24.305 43.188 55.812 1.00 0.00 H +ATOM 12481 O1 WAT A4161 44.394 32.810 12.262 1.00 0.00 O +ATOM 12482 H1 WAT A4161 43.463 33.033 12.232 1.00 0.00 H +ATOM 12483 H2 WAT A4161 44.420 31.864 12.125 1.00 0.00 H +ATOM 12484 O1 WAT A4162 20.930 37.230 42.515 1.00 0.00 O +ATOM 12485 H1 WAT A4162 21.137 36.296 42.552 1.00 0.00 H +ATOM 12486 H2 WAT A4162 20.010 37.283 42.771 1.00 0.00 H +ATOM 12487 O1 WAT A4163 2.610 51.962 48.056 1.00 0.00 O +ATOM 12488 H1 WAT A4163 3.550 51.987 47.872 1.00 0.00 H +ATOM 12489 H2 WAT A4163 2.526 51.363 48.797 1.00 0.00 H +ATOM 12490 O1 WAT A4164 56.544 45.251 22.805 1.00 0.00 O +ATOM 12491 H1 WAT A4164 55.646 44.982 23.001 1.00 0.00 H +ATOM 12492 H2 WAT A4164 57.087 44.713 23.379 1.00 0.00 H +ATOM 12493 O1 WAT A4165 25.920 14.292 21.464 1.00 0.00 O +ATOM 12494 H1 WAT A4165 25.480 13.552 21.883 1.00 0.00 H +ATOM 12495 H2 WAT A4165 26.077 14.911 22.176 1.00 0.00 H +ATOM 12496 O1 WAT A4166 4.357 9.074 25.575 1.00 0.00 O +ATOM 12497 H1 WAT A4166 4.789 8.762 26.371 1.00 0.00 H +ATOM 12498 H2 WAT A4166 3.729 8.386 25.357 1.00 0.00 H +ATOM 12499 O1 WAT A4167 26.827 32.255 26.560 1.00 0.00 O +ATOM 12500 H1 WAT A4167 27.314 33.025 26.265 1.00 0.00 H +ATOM 12501 H2 WAT A4167 27.164 32.079 27.438 1.00 0.00 H +ATOM 12502 O1 WAT A4168 23.460 57.284 11.582 1.00 0.00 O +ATOM 12503 H1 WAT A4168 22.947 58.004 11.215 1.00 0.00 H +ATOM 12504 H2 WAT A4168 22.858 56.841 12.180 1.00 0.00 H +ATOM 12505 O1 WAT A4169 45.275 23.270 55.603 1.00 0.00 O +ATOM 12506 H1 WAT A4169 44.576 23.914 55.490 1.00 0.00 H +ATOM 12507 H2 WAT A4169 44.874 22.434 55.368 1.00 0.00 H +ATOM 12508 O1 WAT A4170 11.090 13.437 11.800 1.00 0.00 O +ATOM 12509 H1 WAT A4170 10.682 14.303 11.814 1.00 0.00 H +ATOM 12510 H2 WAT A4170 11.883 13.537 12.325 1.00 0.00 H +ATOM 12511 O1 WAT A4171 38.308 39.500 40.090 1.00 0.00 O +ATOM 12512 H1 WAT A4171 38.918 38.817 40.370 1.00 0.00 H +ATOM 12513 H2 WAT A4171 38.863 40.165 39.682 1.00 0.00 H +ATOM 12514 O1 WAT A4172 6.587 25.057 14.611 1.00 0.00 O +ATOM 12515 H1 WAT A4172 7.457 24.768 14.336 1.00 0.00 H +ATOM 12516 H2 WAT A4172 5.995 24.375 14.295 1.00 0.00 H +ATOM 12517 O1 WAT A4173 53.307 30.452 40.167 1.00 0.00 O +ATOM 12518 H1 WAT A4173 52.353 30.389 40.220 1.00 0.00 H +ATOM 12519 H2 WAT A4173 53.576 29.651 39.719 1.00 0.00 H +ATOM 12520 O1 WAT A4174 44.868 15.254 37.604 1.00 0.00 O +ATOM 12521 H1 WAT A4174 45.100 14.579 36.967 1.00 0.00 H +ATOM 12522 H2 WAT A4174 45.706 15.539 37.968 1.00 0.00 H +ATOM 12523 O1 WAT A4175 38.744 45.582 57.339 1.00 0.00 O +ATOM 12524 H1 WAT A4175 38.188 44.831 57.543 1.00 0.00 H +ATOM 12525 H2 WAT A4175 39.614 45.208 57.203 1.00 0.00 H +ATOM 12526 O1 WAT A4176 12.198 33.833 1.548 1.00 0.00 O +ATOM 12527 H1 WAT A4176 12.713 34.334 0.915 1.00 0.00 H +ATOM 12528 H2 WAT A4176 12.616 34.007 2.390 1.00 0.00 H +ATOM 12529 O1 WAT A4177 43.951 4.688 49.787 1.00 0.00 O +ATOM 12530 H1 WAT A4177 44.104 3.959 50.388 1.00 0.00 H +ATOM 12531 H2 WAT A4177 44.575 4.547 49.075 1.00 0.00 H +ATOM 12532 O1 WAT A4178 40.032 20.715 11.934 1.00 0.00 O +ATOM 12533 H1 WAT A4178 39.279 20.127 11.993 1.00 0.00 H +ATOM 12534 H2 WAT A4178 39.675 21.582 12.121 1.00 0.00 H +ATOM 12535 O1 WAT A4179 0.858 19.860 42.323 1.00 0.00 O +ATOM 12536 H1 WAT A4179 -0.000 19.755 42.735 1.00 0.00 H +ATOM 12537 H2 WAT A4179 0.853 20.754 41.983 1.00 0.00 H +ATOM 12538 O1 WAT A4180 57.924 43.887 35.695 1.00 0.00 O +ATOM 12539 H1 WAT A4180 57.837 43.792 34.747 1.00 0.00 H +ATOM 12540 H2 WAT A4180 58.008 44.829 35.836 1.00 0.00 H +ATOM 12541 O1 WAT A4181 19.537 26.659 52.361 1.00 0.00 O +ATOM 12542 H1 WAT A4181 20.174 26.118 51.895 1.00 0.00 H +ATOM 12543 H2 WAT A4181 18.688 26.387 52.013 1.00 0.00 H +ATOM 12544 O1 WAT A4182 31.921 7.214 1.191 1.00 0.00 O +ATOM 12545 H1 WAT A4182 32.565 6.912 1.831 1.00 0.00 H +ATOM 12546 H2 WAT A4182 32.444 7.560 0.468 1.00 0.00 H +ATOM 12547 O1 WAT A4183 20.175 21.453 50.127 1.00 0.00 O +ATOM 12548 H1 WAT A4183 19.932 22.371 50.243 1.00 0.00 H +ATOM 12549 H2 WAT A4183 21.109 21.423 50.332 1.00 0.00 H +ATOM 12550 O1 WAT A4184 18.981 44.057 46.026 1.00 0.00 O +ATOM 12551 H1 WAT A4184 19.373 44.469 46.796 1.00 0.00 H +ATOM 12552 H2 WAT A4184 19.385 44.503 45.282 1.00 0.00 H +ATOM 12553 O1 WAT A4185 52.921 55.776 8.224 1.00 0.00 O +ATOM 12554 H1 WAT A4185 52.306 55.066 8.408 1.00 0.00 H +ATOM 12555 H2 WAT A4185 53.707 55.547 8.720 1.00 0.00 H +ATOM 12556 O1 WAT A4186 16.456 14.525 22.624 1.00 0.00 O +ATOM 12557 H1 WAT A4186 15.884 14.589 21.859 1.00 0.00 H +ATOM 12558 H2 WAT A4186 15.983 14.986 23.316 1.00 0.00 H +ATOM 12559 O1 WAT A4187 38.502 51.421 36.847 1.00 0.00 O +ATOM 12560 H1 WAT A4187 37.867 51.135 37.503 1.00 0.00 H +ATOM 12561 H2 WAT A4187 38.585 52.364 36.988 1.00 0.00 H +ATOM 12562 O1 WAT A4188 45.617 41.086 10.869 1.00 0.00 O +ATOM 12563 H1 WAT A4188 45.726 40.171 11.130 1.00 0.00 H +ATOM 12564 H2 WAT A4188 46.341 41.252 10.267 1.00 0.00 H +ATOM 12565 O1 WAT A4189 31.206 46.906 34.647 1.00 0.00 O +ATOM 12566 H1 WAT A4189 31.723 47.689 34.838 1.00 0.00 H +ATOM 12567 H2 WAT A4189 30.394 47.241 34.268 1.00 0.00 H +ATOM 12568 O1 WAT A4190 6.576 42.409 34.067 1.00 0.00 O +ATOM 12569 H1 WAT A4190 6.534 42.662 34.989 1.00 0.00 H +ATOM 12570 H2 WAT A4190 7.500 42.500 33.835 1.00 0.00 H +ATOM 12571 O1 WAT A4191 56.239 52.350 21.869 1.00 0.00 O +ATOM 12572 H1 WAT A4191 56.039 52.406 20.934 1.00 0.00 H +ATOM 12573 H2 WAT A4191 56.661 51.498 21.973 1.00 0.00 H +ATOM 12574 O1 WAT A4192 24.944 34.691 35.102 1.00 0.00 O +ATOM 12575 H1 WAT A4192 24.072 34.296 35.064 1.00 0.00 H +ATOM 12576 H2 WAT A4192 25.545 33.961 34.959 1.00 0.00 H +ATOM 12577 O1 WAT A4193 38.457 23.654 50.725 1.00 0.00 O +ATOM 12578 H1 WAT A4193 38.088 24.537 50.691 1.00 0.00 H +ATOM 12579 H2 WAT A4193 38.039 23.249 51.484 1.00 0.00 H +ATOM 12580 O1 WAT A4194 0.715 19.703 3.807 1.00 0.00 O +ATOM 12581 H1 WAT A4194 0.376 19.938 4.671 1.00 0.00 H +ATOM 12582 H2 WAT A4194 -0.031 19.310 3.355 1.00 0.00 H +ATOM 12583 O1 WAT A4195 55.084 26.557 25.623 1.00 0.00 O +ATOM 12584 H1 WAT A4195 54.734 25.752 25.240 1.00 0.00 H +ATOM 12585 H2 WAT A4195 55.939 26.306 25.970 1.00 0.00 H +ATOM 12586 O1 WAT A4196 6.050 45.790 6.963 1.00 0.00 O +ATOM 12587 H1 WAT A4196 6.861 46.299 6.962 1.00 0.00 H +ATOM 12588 H2 WAT A4196 6.309 44.925 7.278 1.00 0.00 H +ATOM 12589 O1 WAT A4197 55.778 22.324 31.438 1.00 0.00 O +ATOM 12590 H1 WAT A4197 56.061 23.231 31.314 1.00 0.00 H +ATOM 12591 H2 WAT A4197 54.832 22.347 31.301 1.00 0.00 H +ATOM 12592 O1 WAT A4198 13.628 50.213 14.811 1.00 0.00 O +ATOM 12593 H1 WAT A4198 12.721 50.110 15.101 1.00 0.00 H +ATOM 12594 H2 WAT A4198 13.558 50.496 13.900 1.00 0.00 H +ATOM 12595 O1 WAT A4199 57.467 20.176 42.795 1.00 0.00 O +ATOM 12596 H1 WAT A4199 57.144 20.683 42.050 1.00 0.00 H +ATOM 12597 H2 WAT A4199 58.008 20.791 43.289 1.00 0.00 H +ATOM 12598 O1 WAT A4200 2.374 25.674 29.960 1.00 0.00 O +ATOM 12599 H1 WAT A4200 2.725 24.810 30.175 1.00 0.00 H +ATOM 12600 H2 WAT A4200 2.747 26.256 30.621 1.00 0.00 H +ATOM 12601 O1 WAT A4201 33.984 24.678 29.238 1.00 0.00 O +ATOM 12602 H1 WAT A4201 34.582 25.022 28.575 1.00 0.00 H +ATOM 12603 H2 WAT A4201 34.430 23.908 29.589 1.00 0.00 H +ATOM 12604 O1 WAT A4202 20.948 8.627 18.616 1.00 0.00 O +ATOM 12605 H1 WAT A4202 21.076 8.982 19.495 1.00 0.00 H +ATOM 12606 H2 WAT A4202 20.086 8.947 18.351 1.00 0.00 H +ATOM 12607 O1 WAT A4203 31.465 18.846 42.310 1.00 0.00 O +ATOM 12608 H1 WAT A4203 30.755 18.204 42.293 1.00 0.00 H +ATOM 12609 H2 WAT A4203 32.229 18.366 41.992 1.00 0.00 H +ATOM 12610 O1 WAT A4204 22.802 38.944 22.729 1.00 0.00 O +ATOM 12611 H1 WAT A4204 22.337 38.823 23.557 1.00 0.00 H +ATOM 12612 H2 WAT A4204 23.562 39.479 22.955 1.00 0.00 H +ATOM 12613 O1 WAT A4205 52.522 32.638 21.848 1.00 0.00 O +ATOM 12614 H1 WAT A4205 52.397 31.730 21.574 1.00 0.00 H +ATOM 12615 H2 WAT A4205 51.757 33.100 21.506 1.00 0.00 H +ATOM 12616 O1 WAT A4206 45.581 51.642 51.103 1.00 0.00 O +ATOM 12617 H1 WAT A4206 46.266 52.190 50.720 1.00 0.00 H +ATOM 12618 H2 WAT A4206 45.457 50.935 50.470 1.00 0.00 H +ATOM 12619 O1 WAT A4207 39.202 52.178 23.915 1.00 0.00 O +ATOM 12620 H1 WAT A4207 38.836 52.727 23.222 1.00 0.00 H +ATOM 12621 H2 WAT A4207 40.148 52.300 23.843 1.00 0.00 H +ATOM 12622 O1 WAT A4208 5.890 40.769 11.238 1.00 0.00 O +ATOM 12623 H1 WAT A4208 5.735 40.975 10.316 1.00 0.00 H +ATOM 12624 H2 WAT A4208 6.777 41.083 11.409 1.00 0.00 H +ATOM 12625 O1 WAT A4209 55.338 33.658 18.308 1.00 0.00 O +ATOM 12626 H1 WAT A4209 55.876 33.076 18.846 1.00 0.00 H +ATOM 12627 H2 WAT A4209 55.440 33.324 17.418 1.00 0.00 H +ATOM 12628 O1 WAT A4210 22.919 52.087 57.515 1.00 0.00 O +ATOM 12629 H1 WAT A4210 23.473 51.879 56.763 1.00 0.00 H +ATOM 12630 H2 WAT A4210 23.422 52.728 58.014 1.00 0.00 H +ATOM 12631 O1 WAT A4211 42.271 51.498 18.722 1.00 0.00 O +ATOM 12632 H1 WAT A4211 42.316 52.454 18.706 1.00 0.00 H +ATOM 12633 H2 WAT A4211 41.339 51.303 18.815 1.00 0.00 H +ATOM 12634 O1 WAT A4212 57.467 53.718 12.531 1.00 0.00 O +ATOM 12635 H1 WAT A4212 57.896 53.141 13.162 1.00 0.00 H +ATOM 12636 H2 WAT A4212 56.887 54.265 13.060 1.00 0.00 H +ATOM 12637 O1 WAT A4213 20.069 51.048 31.175 1.00 0.00 O +ATOM 12638 H1 WAT A4213 19.161 51.343 31.238 1.00 0.00 H +ATOM 12639 H2 WAT A4213 20.026 50.246 30.655 1.00 0.00 H +ATOM 12640 O1 WAT A4214 23.692 26.576 40.807 1.00 0.00 O +ATOM 12641 H1 WAT A4214 24.577 26.674 41.158 1.00 0.00 H +ATOM 12642 H2 WAT A4214 23.423 25.698 41.077 1.00 0.00 H +ATOM 12643 O1 WAT A4215 13.068 57.268 32.470 1.00 0.00 O +ATOM 12644 H1 WAT A4215 13.766 57.819 32.825 1.00 0.00 H +ATOM 12645 H2 WAT A4215 12.309 57.848 32.415 1.00 0.00 H +ATOM 12646 O1 WAT A4216 26.841 19.753 46.205 1.00 0.00 O +ATOM 12647 H1 WAT A4216 27.528 19.899 46.855 1.00 0.00 H +ATOM 12648 H2 WAT A4216 27.291 19.344 45.466 1.00 0.00 H +ATOM 12649 O1 WAT A4217 47.101 47.079 47.082 1.00 0.00 O +ATOM 12650 H1 WAT A4217 47.693 46.335 46.971 1.00 0.00 H +ATOM 12651 H2 WAT A4217 47.615 47.838 46.810 1.00 0.00 H +ATOM 12652 O1 WAT A4218 21.356 24.749 8.506 1.00 0.00 O +ATOM 12653 H1 WAT A4218 20.973 25.320 7.840 1.00 0.00 H +ATOM 12654 H2 WAT A4218 22.162 24.421 8.108 1.00 0.00 H +ATOM 12655 O1 WAT A4219 56.871 48.341 3.385 1.00 0.00 O +ATOM 12656 H1 WAT A4219 57.597 48.926 3.167 1.00 0.00 H +ATOM 12657 H2 WAT A4219 56.132 48.926 3.546 1.00 0.00 H +ATOM 12658 O1 WAT A4220 10.289 27.825 13.745 1.00 0.00 O +ATOM 12659 H1 WAT A4220 11.005 28.414 13.508 1.00 0.00 H +ATOM 12660 H2 WAT A4220 9.537 28.401 13.879 1.00 0.00 H +ATOM 12661 O1 WAT A4221 41.662 39.765 45.222 1.00 0.00 O +ATOM 12662 H1 WAT A4221 42.437 39.209 45.140 1.00 0.00 H +ATOM 12663 H2 WAT A4221 41.394 39.671 46.135 1.00 0.00 H +ATOM 12664 O1 WAT A4222 16.374 35.744 21.554 1.00 0.00 O +ATOM 12665 H1 WAT A4222 15.832 36.531 21.511 1.00 0.00 H +ATOM 12666 H2 WAT A4222 16.036 35.259 22.306 1.00 0.00 H +ATOM 12667 O1 WAT A4223 54.835 46.411 21.199 1.00 0.00 O +ATOM 12668 H1 WAT A4223 54.054 46.939 21.371 1.00 0.00 H +ATOM 12669 H2 WAT A4223 54.548 45.760 20.559 1.00 0.00 H +ATOM 12670 O1 WAT A4224 1.939 23.630 46.822 1.00 0.00 O +ATOM 12671 H1 WAT A4224 1.296 23.088 46.364 1.00 0.00 H +ATOM 12672 H2 WAT A4224 2.743 23.112 46.806 1.00 0.00 H +ATOM 12673 O1 WAT A4225 48.030 6.416 10.057 1.00 0.00 O +ATOM 12674 H1 WAT A4225 48.035 5.794 10.786 1.00 0.00 H +ATOM 12675 H2 WAT A4225 47.174 6.839 10.108 1.00 0.00 H +ATOM 12676 O1 WAT A4226 26.129 23.600 1.264 1.00 0.00 O +ATOM 12677 H1 WAT A4226 26.317 23.905 2.152 1.00 0.00 H +ATOM 12678 H2 WAT A4226 25.442 24.187 0.949 1.00 0.00 H +ATOM 12679 O1 WAT A4227 17.937 44.057 26.714 1.00 0.00 O +ATOM 12680 H1 WAT A4227 17.873 43.118 26.888 1.00 0.00 H +ATOM 12681 H2 WAT A4227 18.754 44.156 26.226 1.00 0.00 H +ATOM 12682 O1 WAT A4228 36.000 21.186 36.031 1.00 0.00 O +ATOM 12683 H1 WAT A4228 35.733 20.367 35.613 1.00 0.00 H +ATOM 12684 H2 WAT A4228 35.294 21.383 36.647 1.00 0.00 H +ATOM 12685 O1 WAT A4229 38.140 7.881 51.678 1.00 0.00 O +ATOM 12686 H1 WAT A4229 38.659 8.053 52.464 1.00 0.00 H +ATOM 12687 H2 WAT A4229 37.373 8.446 51.768 1.00 0.00 H +ATOM 12688 O1 WAT A4230 43.322 20.950 38.020 1.00 0.00 O +ATOM 12689 H1 WAT A4230 43.372 21.906 37.989 1.00 0.00 H +ATOM 12690 H2 WAT A4230 43.311 20.680 37.102 1.00 0.00 H +ATOM 12691 O1 WAT A4231 21.876 56.589 30.128 1.00 0.00 O +ATOM 12692 H1 WAT A4231 21.145 56.772 29.537 1.00 0.00 H +ATOM 12693 H2 WAT A4231 21.463 56.280 30.933 1.00 0.00 H +ATOM 12694 O1 WAT A4232 10.942 54.060 11.178 1.00 0.00 O +ATOM 12695 H1 WAT A4232 10.765 53.244 11.647 1.00 0.00 H +ATOM 12696 H2 WAT A4232 10.326 54.690 11.551 1.00 0.00 H +ATOM 12697 O1 WAT A4233 38.016 17.952 31.670 1.00 0.00 O +ATOM 12698 H1 WAT A4233 37.781 18.686 31.102 1.00 0.00 H +ATOM 12699 H2 WAT A4233 38.944 18.084 31.862 1.00 0.00 H +ATOM 12700 O1 WAT A4234 36.038 32.396 30.432 1.00 0.00 O +ATOM 12701 H1 WAT A4234 36.520 32.281 29.612 1.00 0.00 H +ATOM 12702 H2 WAT A4234 36.715 32.562 31.087 1.00 0.00 H +ATOM 12703 O1 WAT A4235 52.197 57.106 19.855 1.00 0.00 O +ATOM 12704 H1 WAT A4235 52.386 56.424 19.210 1.00 0.00 H +ATOM 12705 H2 WAT A4235 51.878 56.630 20.621 1.00 0.00 H +ATOM 12706 O1 WAT A4236 29.700 32.007 22.312 1.00 0.00 O +ATOM 12707 H1 WAT A4236 29.971 31.090 22.370 1.00 0.00 H +ATOM 12708 H2 WAT A4236 28.789 32.007 22.602 1.00 0.00 H +ATOM 12709 O1 WAT A4237 55.576 50.099 5.400 1.00 0.00 O +ATOM 12710 H1 WAT A4237 54.813 49.976 5.966 1.00 0.00 H +ATOM 12711 H2 WAT A4237 56.246 49.527 5.773 1.00 0.00 H +ATOM 12712 O1 WAT A4238 34.337 22.541 7.603 1.00 0.00 O +ATOM 12713 H1 WAT A4238 34.123 22.985 8.424 1.00 0.00 H +ATOM 12714 H2 WAT A4238 35.212 22.857 7.380 1.00 0.00 H +ATOM 12715 O1 WAT A4239 19.473 19.663 7.581 1.00 0.00 O +ATOM 12716 H1 WAT A4239 19.104 20.546 7.548 1.00 0.00 H +ATOM 12717 H2 WAT A4239 20.199 19.683 6.959 1.00 0.00 H +ATOM 12718 O1 WAT A4240 7.823 47.647 48.867 1.00 0.00 O +ATOM 12719 H1 WAT A4240 8.243 48.433 49.216 1.00 0.00 H +ATOM 12720 H2 WAT A4240 7.956 47.702 47.921 1.00 0.00 H +ATOM 12721 O1 WAT A4241 0.697 16.069 53.392 1.00 0.00 O +ATOM 12722 H1 WAT A4241 0.504 15.162 53.628 1.00 0.00 H +ATOM 12723 H2 WAT A4241 1.644 16.150 53.502 1.00 0.00 H +ATOM 12724 O1 WAT A4242 25.163 16.014 29.140 1.00 0.00 O +ATOM 12725 H1 WAT A4242 24.329 16.376 28.841 1.00 0.00 H +ATOM 12726 H2 WAT A4242 25.389 15.356 28.483 1.00 0.00 H +ATOM 12727 O1 WAT A4243 46.370 31.364 50.134 1.00 0.00 O +ATOM 12728 H1 WAT A4243 46.163 30.467 49.872 1.00 0.00 H +ATOM 12729 H2 WAT A4243 46.394 31.855 49.314 1.00 0.00 H +ATOM 12730 O1 WAT A4244 23.343 36.865 23.417 1.00 0.00 O +ATOM 12731 H1 WAT A4244 24.023 36.199 23.316 1.00 0.00 H +ATOM 12732 H2 WAT A4244 22.523 36.397 23.264 1.00 0.00 H +ATOM 12733 O1 WAT A4245 6.468 50.763 31.821 1.00 0.00 O +ATOM 12734 H1 WAT A4245 7.141 51.432 31.699 1.00 0.00 H +ATOM 12735 H2 WAT A4245 6.555 50.191 31.060 1.00 0.00 H +ATOM 12736 O1 WAT A4246 24.367 6.936 9.537 1.00 0.00 O +ATOM 12737 H1 WAT A4246 23.508 6.586 9.774 1.00 0.00 H +ATOM 12738 H2 WAT A4246 24.313 7.867 9.746 1.00 0.00 H +ATOM 12739 O1 WAT A4247 34.064 48.271 46.888 1.00 0.00 O +ATOM 12740 H1 WAT A4247 33.649 48.636 46.106 1.00 0.00 H +ATOM 12741 H2 WAT A4247 34.390 49.033 47.365 1.00 0.00 H +ATOM 12742 O1 WAT A4248 54.734 44.970 44.784 1.00 0.00 O +ATOM 12743 H1 WAT A4248 54.199 45.725 44.538 1.00 0.00 H +ATOM 12744 H2 WAT A4248 54.108 44.256 44.894 1.00 0.00 H +ATOM 12745 O1 WAT A4249 27.953 14.176 49.769 1.00 0.00 O +ATOM 12746 H1 WAT A4249 28.341 13.301 49.796 1.00 0.00 H +ATOM 12747 H2 WAT A4249 28.700 14.768 49.693 1.00 0.00 H +ATOM 12748 O1 WAT A4250 3.040 17.621 0.876 1.00 0.00 O +ATOM 12749 H1 WAT A4250 2.786 16.734 0.621 1.00 0.00 H +ATOM 12750 H2 WAT A4250 3.996 17.608 0.873 1.00 0.00 H +ATOM 12751 O1 WAT A4251 57.376 33.471 37.591 1.00 0.00 O +ATOM 12752 H1 WAT A4251 56.567 33.430 37.081 1.00 0.00 H +ATOM 12753 H2 WAT A4251 57.506 32.578 37.909 1.00 0.00 H +ATOM 12754 O1 WAT A4252 52.140 35.080 29.221 1.00 0.00 O +ATOM 12755 H1 WAT A4252 51.602 35.465 29.913 1.00 0.00 H +ATOM 12756 H2 WAT A4252 51.532 34.933 28.498 1.00 0.00 H +ATOM 12757 O1 WAT A4253 6.080 15.486 17.818 1.00 0.00 O +ATOM 12758 H1 WAT A4253 5.453 16.192 17.657 1.00 0.00 H +ATOM 12759 H2 WAT A4253 5.572 14.683 17.706 1.00 0.00 H +ATOM 12760 O1 WAT A4254 22.055 12.382 37.246 1.00 0.00 O +ATOM 12761 H1 WAT A4254 21.343 12.479 37.879 1.00 0.00 H +ATOM 12762 H2 WAT A4254 22.615 11.701 37.617 1.00 0.00 H +ATOM 12763 O1 WAT A4255 46.649 38.846 22.478 1.00 0.00 O +ATOM 12764 H1 WAT A4255 46.315 38.059 22.909 1.00 0.00 H +ATOM 12765 H2 WAT A4255 46.641 39.516 23.161 1.00 0.00 H +ATOM 12766 O1 WAT A4256 36.805 16.219 14.184 1.00 0.00 O +ATOM 12767 H1 WAT A4256 37.460 16.489 13.539 1.00 0.00 H +ATOM 12768 H2 WAT A4256 37.306 15.758 14.855 1.00 0.00 H +ATOM 12769 O1 WAT A4257 0.903 0.692 2.400 1.00 0.00 O +ATOM 12770 H1 WAT A4257 1.317 1.555 2.406 1.00 0.00 H +ATOM 12771 H2 WAT A4257 0.011 0.855 2.094 1.00 0.00 H +ATOM 12772 O1 WAT A4258 29.783 3.310 40.017 1.00 0.00 O +ATOM 12773 H1 WAT A4258 29.682 4.260 39.965 1.00 0.00 H +ATOM 12774 H2 WAT A4258 28.940 2.962 39.727 1.00 0.00 H +ATOM 12775 O1 WAT A4259 11.144 29.097 2.158 1.00 0.00 O +ATOM 12776 H1 WAT A4259 11.602 29.582 1.471 1.00 0.00 H +ATOM 12777 H2 WAT A4259 10.883 29.765 2.791 1.00 0.00 H +ATOM 12778 O1 WAT A4260 40.247 57.520 0.773 1.00 0.00 O +ATOM 12779 H1 WAT A4260 40.689 57.467 1.621 1.00 0.00 H +ATOM 12780 H2 WAT A4260 40.485 56.709 0.326 1.00 0.00 H +ATOM 12781 O1 WAT A4261 48.016 4.682 13.486 1.00 0.00 O +ATOM 12782 H1 WAT A4261 48.409 4.899 14.332 1.00 0.00 H +ATOM 12783 H2 WAT A4261 47.113 4.444 13.695 1.00 0.00 H +ATOM 12784 O1 WAT A4262 8.901 28.833 31.938 1.00 0.00 O +ATOM 12785 H1 WAT A4262 9.433 29.188 31.226 1.00 0.00 H +ATOM 12786 H2 WAT A4262 9.413 28.099 32.277 1.00 0.00 H +ATOM 12787 O1 WAT A4263 56.329 25.327 23.645 1.00 0.00 O +ATOM 12788 H1 WAT A4263 57.138 25.656 24.036 1.00 0.00 H +ATOM 12789 H2 WAT A4263 55.910 26.101 23.271 1.00 0.00 H +ATOM 12790 O1 WAT A4264 18.020 11.966 5.740 1.00 0.00 O +ATOM 12791 H1 WAT A4264 18.752 11.367 5.591 1.00 0.00 H +ATOM 12792 H2 WAT A4264 18.203 12.714 5.173 1.00 0.00 H +ATOM 12793 O1 WAT A4265 53.484 50.592 9.494 1.00 0.00 O +ATOM 12794 H1 WAT A4265 53.101 49.726 9.355 1.00 0.00 H +ATOM 12795 H2 WAT A4265 54.414 50.423 9.642 1.00 0.00 H +ATOM 12796 O1 WAT A4266 7.257 34.081 27.420 1.00 0.00 O +ATOM 12797 H1 WAT A4266 7.035 33.152 27.364 1.00 0.00 H +ATOM 12798 H2 WAT A4266 7.100 34.420 26.539 1.00 0.00 H +ATOM 12799 O1 WAT A4267 1.874 4.593 40.864 1.00 0.00 O +ATOM 12800 H1 WAT A4267 0.995 4.819 41.167 1.00 0.00 H +ATOM 12801 H2 WAT A4267 1.822 4.651 39.910 1.00 0.00 H +ATOM 12802 O1 WAT A4268 46.534 5.516 53.648 1.00 0.00 O +ATOM 12803 H1 WAT A4268 47.432 5.199 53.546 1.00 0.00 H +ATOM 12804 H2 WAT A4268 46.565 6.084 54.418 1.00 0.00 H +ATOM 12805 O1 WAT A4269 26.274 46.140 8.895 1.00 0.00 O +ATOM 12806 H1 WAT A4269 26.830 45.373 9.030 1.00 0.00 H +ATOM 12807 H2 WAT A4269 26.797 46.722 8.344 1.00 0.00 H +ATOM 12808 O1 WAT A4270 17.547 42.427 10.425 1.00 0.00 O +ATOM 12809 H1 WAT A4270 17.749 43.362 10.436 1.00 0.00 H +ATOM 12810 H2 WAT A4270 16.647 42.379 10.104 1.00 0.00 H +ATOM 12811 O1 WAT A4271 18.066 17.594 30.012 1.00 0.00 O +ATOM 12812 H1 WAT A4271 17.220 17.383 30.409 1.00 0.00 H +ATOM 12813 H2 WAT A4271 18.176 16.942 29.320 1.00 0.00 H +ATOM 12814 O1 WAT A4272 55.311 19.387 41.322 1.00 0.00 O +ATOM 12815 H1 WAT A4272 54.948 18.664 40.810 1.00 0.00 H +ATOM 12816 H2 WAT A4272 55.774 18.962 42.043 1.00 0.00 H +ATOM 12817 O1 WAT A4273 48.506 42.045 45.730 1.00 0.00 O +ATOM 12818 H1 WAT A4273 47.568 41.857 45.683 1.00 0.00 H +ATOM 12819 H2 WAT A4273 48.860 41.705 44.908 1.00 0.00 H +ATOM 12820 O1 WAT A4274 24.031 25.799 36.969 1.00 0.00 O +ATOM 12821 H1 WAT A4274 23.662 25.024 36.546 1.00 0.00 H +ATOM 12822 H2 WAT A4274 23.712 25.756 37.870 1.00 0.00 H +ATOM 12823 O1 WAT A4275 8.040 44.438 36.007 1.00 0.00 O +ATOM 12824 H1 WAT A4275 7.965 44.973 35.216 1.00 0.00 H +ATOM 12825 H2 WAT A4275 8.980 44.304 36.118 1.00 0.00 H +ATOM 12826 O1 WAT A4276 4.584 44.271 47.443 1.00 0.00 O +ATOM 12827 H1 WAT A4276 4.682 43.419 47.017 1.00 0.00 H +ATOM 12828 H2 WAT A4276 5.473 44.514 47.700 1.00 0.00 H +ATOM 12829 O1 WAT A4277 2.659 55.234 53.641 1.00 0.00 O +ATOM 12830 H1 WAT A4277 2.003 55.931 53.668 1.00 0.00 H +ATOM 12831 H2 WAT A4277 3.472 55.659 53.911 1.00 0.00 H +ATOM 12832 O1 WAT A4278 40.495 29.029 25.329 1.00 0.00 O +ATOM 12833 H1 WAT A4278 39.852 28.322 25.386 1.00 0.00 H +ATOM 12834 H2 WAT A4278 39.973 29.830 25.349 1.00 0.00 H +ATOM 12835 O1 WAT A4279 4.608 29.890 46.253 1.00 0.00 O +ATOM 12836 H1 WAT A4279 5.116 30.256 46.978 1.00 0.00 H +ATOM 12837 H2 WAT A4279 4.006 29.273 46.668 1.00 0.00 H +ATOM 12838 O1 WAT A4280 39.804 13.282 48.064 1.00 0.00 O +ATOM 12839 H1 WAT A4280 40.242 12.794 48.762 1.00 0.00 H +ATOM 12840 H2 WAT A4280 40.141 12.899 47.255 1.00 0.00 H +ATOM 12841 O1 WAT A4281 36.331 36.964 25.033 1.00 0.00 O +ATOM 12842 H1 WAT A4281 36.255 36.196 25.600 1.00 0.00 H +ATOM 12843 H2 WAT A4281 37.168 37.359 25.275 1.00 0.00 H +ATOM 12844 O1 WAT A4282 56.852 25.677 20.033 1.00 0.00 O +ATOM 12845 H1 WAT A4282 57.054 24.750 19.905 1.00 0.00 H +ATOM 12846 H2 WAT A4282 56.428 25.945 19.219 1.00 0.00 H +ATOM 12847 O1 WAT A4283 40.062 52.720 52.529 1.00 0.00 O +ATOM 12848 H1 WAT A4283 40.300 53.561 52.919 1.00 0.00 H +ATOM 12849 H2 WAT A4283 40.883 52.376 52.178 1.00 0.00 H +ATOM 12850 O1 WAT A4284 28.980 49.365 25.280 1.00 0.00 O +ATOM 12851 H1 WAT A4284 29.321 48.727 24.653 1.00 0.00 H +ATOM 12852 H2 WAT A4284 28.523 50.011 24.742 1.00 0.00 H +ATOM 12853 O1 WAT A4285 36.579 28.812 55.570 1.00 0.00 O +ATOM 12854 H1 WAT A4285 36.079 28.860 56.385 1.00 0.00 H +ATOM 12855 H2 WAT A4285 35.925 28.621 54.898 1.00 0.00 H +ATOM 12856 O1 WAT A4286 7.015 26.419 16.296 1.00 0.00 O +ATOM 12857 H1 WAT A4286 7.931 26.227 16.093 1.00 0.00 H +ATOM 12858 H2 WAT A4286 6.922 27.356 16.129 1.00 0.00 H +ATOM 12859 O1 WAT A4287 55.026 10.444 4.015 1.00 0.00 O +ATOM 12860 H1 WAT A4287 54.579 9.648 3.726 1.00 0.00 H +ATOM 12861 H2 WAT A4287 55.462 10.192 4.829 1.00 0.00 H +ATOM 12862 O1 WAT A4288 23.842 28.423 35.491 1.00 0.00 O +ATOM 12863 H1 WAT A4288 24.237 29.144 35.000 1.00 0.00 H +ATOM 12864 H2 WAT A4288 22.905 28.496 35.313 1.00 0.00 H +ATOM 12865 O1 WAT A4289 41.001 51.180 42.748 1.00 0.00 O +ATOM 12866 H1 WAT A4289 41.763 50.609 42.654 1.00 0.00 H +ATOM 12867 H2 WAT A4289 40.986 51.696 41.943 1.00 0.00 H +ATOM 12868 O1 WAT A4290 44.159 57.104 2.356 1.00 0.00 O +ATOM 12869 H1 WAT A4290 44.020 56.646 3.185 1.00 0.00 H +ATOM 12870 H2 WAT A4290 44.072 58.031 2.576 1.00 0.00 H +ATOM 12871 O1 WAT A4291 37.576 28.767 39.482 1.00 0.00 O +ATOM 12872 H1 WAT A4291 37.583 28.805 40.439 1.00 0.00 H +ATOM 12873 H2 WAT A4291 37.308 27.872 39.278 1.00 0.00 H +ATOM 12874 O1 WAT A4292 28.456 35.380 21.420 1.00 0.00 O +ATOM 12875 H1 WAT A4292 28.730 36.043 22.054 1.00 0.00 H +ATOM 12876 H2 WAT A4292 28.819 35.680 20.587 1.00 0.00 H +ATOM 12877 O1 WAT A4293 46.903 17.781 51.921 1.00 0.00 O +ATOM 12878 H1 WAT A4293 46.121 17.381 52.303 1.00 0.00 H +ATOM 12879 H2 WAT A4293 46.566 18.462 51.340 1.00 0.00 H +ATOM 12880 O1 WAT A4294 19.577 18.082 39.786 1.00 0.00 O +ATOM 12881 H1 WAT A4294 20.443 18.059 40.195 1.00 0.00 H +ATOM 12882 H2 WAT A4294 19.240 18.955 39.985 1.00 0.00 H +ATOM 12883 O1 WAT A4295 15.213 5.827 41.602 1.00 0.00 O +ATOM 12884 H1 WAT A4295 15.128 6.731 41.905 1.00 0.00 H +ATOM 12885 H2 WAT A4295 16.117 5.590 41.805 1.00 0.00 H +ATOM 12886 O1 WAT A4296 29.963 14.003 30.214 1.00 0.00 O +ATOM 12887 H1 WAT A4296 30.296 14.741 30.724 1.00 0.00 H +ATOM 12888 H2 WAT A4296 29.030 14.184 30.110 1.00 0.00 H +ATOM 12889 O1 WAT A4297 44.278 42.270 47.244 1.00 0.00 O +ATOM 12890 H1 WAT A4297 44.093 43.012 47.820 1.00 0.00 H +ATOM 12891 H2 WAT A4297 45.123 41.937 47.545 1.00 0.00 H +ATOM 12892 O1 WAT A4298 51.627 37.497 40.693 1.00 0.00 O +ATOM 12893 H1 WAT A4298 50.918 36.855 40.722 1.00 0.00 H +ATOM 12894 H2 WAT A4298 51.213 38.325 40.934 1.00 0.00 H +ATOM 12895 O1 WAT A4299 53.090 58.002 1.529 1.00 0.00 O +ATOM 12896 H1 WAT A4299 53.898 57.985 1.018 1.00 0.00 H +ATOM 12897 H2 WAT A4299 53.021 57.124 1.901 1.00 0.00 H +ATOM 12898 O1 WAT A4300 12.473 45.537 50.575 1.00 0.00 O +ATOM 12899 H1 WAT A4300 13.284 45.277 51.011 1.00 0.00 H +ATOM 12900 H2 WAT A4300 12.435 46.487 50.682 1.00 0.00 H +ATOM 12901 O1 WAT A4301 6.745 25.292 2.042 1.00 0.00 O +ATOM 12902 H1 WAT A4301 6.680 24.365 2.272 1.00 0.00 H +ATOM 12903 H2 WAT A4301 7.622 25.386 1.670 1.00 0.00 H +ATOM 12904 O1 WAT A4302 18.044 1.421 40.273 1.00 0.00 O +ATOM 12905 H1 WAT A4302 17.091 1.478 40.205 1.00 0.00 H +ATOM 12906 H2 WAT A4302 18.205 1.168 41.182 1.00 0.00 H +ATOM 12907 O1 WAT A4303 7.776 17.132 10.365 1.00 0.00 O +ATOM 12908 H1 WAT A4303 7.072 17.780 10.377 1.00 0.00 H +ATOM 12909 H2 WAT A4303 7.357 16.329 10.057 1.00 0.00 H +ATOM 12910 O1 WAT A4304 37.554 8.090 8.211 1.00 0.00 O +ATOM 12911 H1 WAT A4304 37.160 7.415 7.659 1.00 0.00 H +ATOM 12912 H2 WAT A4304 36.864 8.328 8.829 1.00 0.00 H +ATOM 12913 O1 WAT A4305 17.414 27.602 50.342 1.00 0.00 O +ATOM 12914 H1 WAT A4305 17.888 27.627 49.510 1.00 0.00 H +ATOM 12915 H2 WAT A4305 16.492 27.547 50.092 1.00 0.00 H +ATOM 12916 O1 WAT A4306 56.109 9.431 31.765 1.00 0.00 O +ATOM 12917 H1 WAT A4306 56.141 8.689 31.160 1.00 0.00 H +ATOM 12918 H2 WAT A4306 56.945 9.399 32.229 1.00 0.00 H +ATOM 12919 O1 WAT A4307 32.606 37.012 35.371 1.00 0.00 O +ATOM 12920 H1 WAT A4307 32.191 36.170 35.180 1.00 0.00 H +ATOM 12921 H2 WAT A4307 33.465 36.956 34.955 1.00 0.00 H +ATOM 12922 O1 WAT A4308 53.946 41.881 46.683 1.00 0.00 O +ATOM 12923 H1 WAT A4308 54.457 41.139 46.358 1.00 0.00 H +ATOM 12924 H2 WAT A4308 54.422 42.653 46.377 1.00 0.00 H +ATOM 12925 O1 WAT A4309 5.444 54.862 28.359 1.00 0.00 O +ATOM 12926 H1 WAT A4309 4.976 54.718 27.536 1.00 0.00 H +ATOM 12927 H2 WAT A4309 5.462 55.813 28.461 1.00 0.00 H +ATOM 12928 O1 WAT A4310 21.911 25.492 33.764 1.00 0.00 O +ATOM 12929 H1 WAT A4310 21.372 25.239 34.514 1.00 0.00 H +ATOM 12930 H2 WAT A4310 22.579 24.810 33.707 1.00 0.00 H +ATOM 12931 O1 WAT A4311 34.855 5.779 29.926 1.00 0.00 O +ATOM 12932 H1 WAT A4311 35.642 5.324 30.227 1.00 0.00 H +ATOM 12933 H2 WAT A4311 34.412 5.145 29.362 1.00 0.00 H +ATOM 12934 O1 WAT A4312 12.062 51.655 47.734 1.00 0.00 O +ATOM 12935 H1 WAT A4312 11.847 52.419 47.199 1.00 0.00 H +ATOM 12936 H2 WAT A4312 11.347 51.596 48.367 1.00 0.00 H +ATOM 12937 O1 WAT A4313 16.799 25.060 28.588 1.00 0.00 O +ATOM 12938 H1 WAT A4313 16.532 25.789 28.028 1.00 0.00 H +ATOM 12939 H2 WAT A4313 15.980 24.618 28.813 1.00 0.00 H +ATOM 12940 O1 WAT A4314 34.087 36.234 32.595 1.00 0.00 O +ATOM 12941 H1 WAT A4314 33.193 36.535 32.758 1.00 0.00 H +ATOM 12942 H2 WAT A4314 34.079 35.936 31.686 1.00 0.00 H +ATOM 12943 O1 WAT A4315 30.498 31.879 4.429 1.00 0.00 O +ATOM 12944 H1 WAT A4315 31.278 32.189 4.889 1.00 0.00 H +ATOM 12945 H2 WAT A4315 30.274 32.590 3.829 1.00 0.00 H +ATOM 12946 O1 WAT A4316 48.984 1.486 37.381 1.00 0.00 O +ATOM 12947 H1 WAT A4316 48.060 1.429 37.138 1.00 0.00 H +ATOM 12948 H2 WAT A4316 49.447 1.559 36.547 1.00 0.00 H +ATOM 12949 O1 WAT A4317 40.156 36.123 31.891 1.00 0.00 O +ATOM 12950 H1 WAT A4317 39.825 36.967 32.197 1.00 0.00 H +ATOM 12951 H2 WAT A4317 41.049 36.077 32.230 1.00 0.00 H +ATOM 12952 O1 WAT A4318 32.187 39.821 7.533 1.00 0.00 O +ATOM 12953 H1 WAT A4318 31.851 40.068 6.671 1.00 0.00 H +ATOM 12954 H2 WAT A4318 32.325 38.876 7.476 1.00 0.00 H +ATOM 12955 O1 WAT A4319 30.214 46.502 49.882 1.00 0.00 O +ATOM 12956 H1 WAT A4319 30.192 45.565 50.077 1.00 0.00 H +ATOM 12957 H2 WAT A4319 29.397 46.842 50.245 1.00 0.00 H +ATOM 12958 O1 WAT A4320 36.228 22.811 10.438 1.00 0.00 O +ATOM 12959 H1 WAT A4320 35.547 23.451 10.231 1.00 0.00 H +ATOM 12960 H2 WAT A4320 35.824 21.963 10.256 1.00 0.00 H +ATOM 12961 O1 WAT A4321 2.011 24.680 22.079 1.00 0.00 O +ATOM 12962 H1 WAT A4321 1.843 25.602 22.274 1.00 0.00 H +ATOM 12963 H2 WAT A4321 1.512 24.508 21.281 1.00 0.00 H +ATOM 12964 O1 WAT A4322 50.068 21.263 42.904 1.00 0.00 O +ATOM 12965 H1 WAT A4322 49.196 21.388 43.280 1.00 0.00 H +ATOM 12966 H2 WAT A4322 50.017 20.419 42.456 1.00 0.00 H +ATOM 12967 O1 WAT A4323 39.795 13.447 44.990 1.00 0.00 O +ATOM 12968 H1 WAT A4323 40.540 13.029 44.556 1.00 0.00 H +ATOM 12969 H2 WAT A4323 40.042 14.369 45.058 1.00 0.00 H +ATOM 12970 O1 WAT A4324 32.749 21.613 6.366 1.00 0.00 O +ATOM 12971 H1 WAT A4324 32.080 21.011 6.692 1.00 0.00 H +ATOM 12972 H2 WAT A4324 33.506 21.057 6.185 1.00 0.00 H +ATOM 12973 O1 WAT A4325 35.301 11.699 32.182 1.00 0.00 O +ATOM 12974 H1 WAT A4325 35.665 12.215 31.462 1.00 0.00 H +ATOM 12975 H2 WAT A4325 35.497 12.209 32.967 1.00 0.00 H +ATOM 12976 O1 WAT A4326 18.038 13.184 21.328 1.00 0.00 O +ATOM 12977 H1 WAT A4326 17.268 12.678 21.588 1.00 0.00 H +ATOM 12978 H2 WAT A4326 18.512 12.610 20.729 1.00 0.00 H +ATOM 12979 O1 WAT A4327 50.503 41.879 -0.021 1.00 0.00 O +ATOM 12980 H1 WAT A4327 51.458 41.849 0.041 1.00 0.00 H +ATOM 12981 H2 WAT A4327 50.216 41.012 0.265 1.00 0.00 H +ATOM 12982 O1 WAT A4328 56.320 50.653 48.143 1.00 0.00 O +ATOM 12983 H1 WAT A4328 55.503 51.131 48.001 1.00 0.00 H +ATOM 12984 H2 WAT A4328 56.294 49.940 47.506 1.00 0.00 H +ATOM 12985 O1 WAT A4329 4.554 5.347 43.330 1.00 0.00 O +ATOM 12986 H1 WAT A4329 4.899 6.217 43.130 1.00 0.00 H +ATOM 12987 H2 WAT A4329 3.611 5.424 43.188 1.00 0.00 H +ATOM 12988 O1 WAT A4330 4.351 17.361 22.805 1.00 0.00 O +ATOM 12989 H1 WAT A4330 3.615 17.922 22.562 1.00 0.00 H +ATOM 12990 H2 WAT A4330 4.024 16.838 23.536 1.00 0.00 H +ATOM 12991 O1 WAT A4331 51.748 20.179 30.618 1.00 0.00 O +ATOM 12992 H1 WAT A4331 51.571 21.063 30.942 1.00 0.00 H +ATOM 12993 H2 WAT A4331 51.032 19.997 30.010 1.00 0.00 H +END diff --git a/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.psf b/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.psf index 00c185f..d333d32 100644 --- a/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.psf +++ b/required_data/equilb_box_298K/TIPS3P_reservoir_box_1.psf @@ -1,4 +1,4 @@ -PSF +PSF 3 !NTITLE REMARKS this file TIPS3P_reservoir_box_1 - created by mBuild/foyer using the @@ -7,12999 +7,12999 @@ PSF 12993 !NATOM - 1 SYS 1 TIP3 O1 C -0.834000 15.9994 - 2 SYS 1 TIP3 H1 A 0.417000 1.0079 - 3 SYS 1 TIP3 H2 A 0.417000 1.0079 - 4 SYS 2 TIP3 O1 C -0.834000 15.9994 - 5 SYS 2 TIP3 H1 A 0.417000 1.0079 - 6 SYS 2 TIP3 H2 A 0.417000 1.0079 - 7 SYS 3 TIP3 O1 C -0.834000 15.9994 - 8 SYS 3 TIP3 H1 A 0.417000 1.0079 - 9 SYS 3 TIP3 H2 A 0.417000 1.0079 - 10 SYS 4 TIP3 O1 C -0.834000 15.9994 - 11 SYS 4 TIP3 H1 A 0.417000 1.0079 - 12 SYS 4 TIP3 H2 A 0.417000 1.0079 - 13 SYS 5 TIP3 O1 C -0.834000 15.9994 - 14 SYS 5 TIP3 H1 A 0.417000 1.0079 - 15 SYS 5 TIP3 H2 A 0.417000 1.0079 - 16 SYS 6 TIP3 O1 C -0.834000 15.9994 - 17 SYS 6 TIP3 H1 A 0.417000 1.0079 - 18 SYS 6 TIP3 H2 A 0.417000 1.0079 - 19 SYS 7 TIP3 O1 C -0.834000 15.9994 - 20 SYS 7 TIP3 H1 A 0.417000 1.0079 - 21 SYS 7 TIP3 H2 A 0.417000 1.0079 - 22 SYS 8 TIP3 O1 C -0.834000 15.9994 - 23 SYS 8 TIP3 H1 A 0.417000 1.0079 - 24 SYS 8 TIP3 H2 A 0.417000 1.0079 - 25 SYS 9 TIP3 O1 C -0.834000 15.9994 - 26 SYS 9 TIP3 H1 A 0.417000 1.0079 - 27 SYS 9 TIP3 H2 A 0.417000 1.0079 - 28 SYS 10 TIP3 O1 C -0.834000 15.9994 - 29 SYS 10 TIP3 H1 A 0.417000 1.0079 - 30 SYS 10 TIP3 H2 A 0.417000 1.0079 - 31 SYS 11 TIP3 O1 C -0.834000 15.9994 - 32 SYS 11 TIP3 H1 A 0.417000 1.0079 - 33 SYS 11 TIP3 H2 A 0.417000 1.0079 - 34 SYS 12 TIP3 O1 C -0.834000 15.9994 - 35 SYS 12 TIP3 H1 A 0.417000 1.0079 - 36 SYS 12 TIP3 H2 A 0.417000 1.0079 - 37 SYS 13 TIP3 O1 C -0.834000 15.9994 - 38 SYS 13 TIP3 H1 A 0.417000 1.0079 - 39 SYS 13 TIP3 H2 A 0.417000 1.0079 - 40 SYS 14 TIP3 O1 C -0.834000 15.9994 - 41 SYS 14 TIP3 H1 A 0.417000 1.0079 - 42 SYS 14 TIP3 H2 A 0.417000 1.0079 - 43 SYS 15 TIP3 O1 C -0.834000 15.9994 - 44 SYS 15 TIP3 H1 A 0.417000 1.0079 - 45 SYS 15 TIP3 H2 A 0.417000 1.0079 - 46 SYS 16 TIP3 O1 C -0.834000 15.9994 - 47 SYS 16 TIP3 H1 A 0.417000 1.0079 - 48 SYS 16 TIP3 H2 A 0.417000 1.0079 - 49 SYS 17 TIP3 O1 C -0.834000 15.9994 - 50 SYS 17 TIP3 H1 A 0.417000 1.0079 - 51 SYS 17 TIP3 H2 A 0.417000 1.0079 - 52 SYS 18 TIP3 O1 C -0.834000 15.9994 - 53 SYS 18 TIP3 H1 A 0.417000 1.0079 - 54 SYS 18 TIP3 H2 A 0.417000 1.0079 - 55 SYS 19 TIP3 O1 C -0.834000 15.9994 - 56 SYS 19 TIP3 H1 A 0.417000 1.0079 - 57 SYS 19 TIP3 H2 A 0.417000 1.0079 - 58 SYS 20 TIP3 O1 C -0.834000 15.9994 - 59 SYS 20 TIP3 H1 A 0.417000 1.0079 - 60 SYS 20 TIP3 H2 A 0.417000 1.0079 - 61 SYS 21 TIP3 O1 C -0.834000 15.9994 - 62 SYS 21 TIP3 H1 A 0.417000 1.0079 - 63 SYS 21 TIP3 H2 A 0.417000 1.0079 - 64 SYS 22 TIP3 O1 C -0.834000 15.9994 - 65 SYS 22 TIP3 H1 A 0.417000 1.0079 - 66 SYS 22 TIP3 H2 A 0.417000 1.0079 - 67 SYS 23 TIP3 O1 C -0.834000 15.9994 - 68 SYS 23 TIP3 H1 A 0.417000 1.0079 - 69 SYS 23 TIP3 H2 A 0.417000 1.0079 - 70 SYS 24 TIP3 O1 C -0.834000 15.9994 - 71 SYS 24 TIP3 H1 A 0.417000 1.0079 - 72 SYS 24 TIP3 H2 A 0.417000 1.0079 - 73 SYS 25 TIP3 O1 C -0.834000 15.9994 - 74 SYS 25 TIP3 H1 A 0.417000 1.0079 - 75 SYS 25 TIP3 H2 A 0.417000 1.0079 - 76 SYS 26 TIP3 O1 C -0.834000 15.9994 - 77 SYS 26 TIP3 H1 A 0.417000 1.0079 - 78 SYS 26 TIP3 H2 A 0.417000 1.0079 - 79 SYS 27 TIP3 O1 C -0.834000 15.9994 - 80 SYS 27 TIP3 H1 A 0.417000 1.0079 - 81 SYS 27 TIP3 H2 A 0.417000 1.0079 - 82 SYS 28 TIP3 O1 C -0.834000 15.9994 - 83 SYS 28 TIP3 H1 A 0.417000 1.0079 - 84 SYS 28 TIP3 H2 A 0.417000 1.0079 - 85 SYS 29 TIP3 O1 C -0.834000 15.9994 - 86 SYS 29 TIP3 H1 A 0.417000 1.0079 - 87 SYS 29 TIP3 H2 A 0.417000 1.0079 - 88 SYS 30 TIP3 O1 C -0.834000 15.9994 - 89 SYS 30 TIP3 H1 A 0.417000 1.0079 - 90 SYS 30 TIP3 H2 A 0.417000 1.0079 - 91 SYS 31 TIP3 O1 C -0.834000 15.9994 - 92 SYS 31 TIP3 H1 A 0.417000 1.0079 - 93 SYS 31 TIP3 H2 A 0.417000 1.0079 - 94 SYS 32 TIP3 O1 C -0.834000 15.9994 - 95 SYS 32 TIP3 H1 A 0.417000 1.0079 - 96 SYS 32 TIP3 H2 A 0.417000 1.0079 - 97 SYS 33 TIP3 O1 C -0.834000 15.9994 - 98 SYS 33 TIP3 H1 A 0.417000 1.0079 - 99 SYS 33 TIP3 H2 A 0.417000 1.0079 - 100 SYS 34 TIP3 O1 C -0.834000 15.9994 - 101 SYS 34 TIP3 H1 A 0.417000 1.0079 - 102 SYS 34 TIP3 H2 A 0.417000 1.0079 - 103 SYS 35 TIP3 O1 C -0.834000 15.9994 - 104 SYS 35 TIP3 H1 A 0.417000 1.0079 - 105 SYS 35 TIP3 H2 A 0.417000 1.0079 - 106 SYS 36 TIP3 O1 C -0.834000 15.9994 - 107 SYS 36 TIP3 H1 A 0.417000 1.0079 - 108 SYS 36 TIP3 H2 A 0.417000 1.0079 - 109 SYS 37 TIP3 O1 C -0.834000 15.9994 - 110 SYS 37 TIP3 H1 A 0.417000 1.0079 - 111 SYS 37 TIP3 H2 A 0.417000 1.0079 - 112 SYS 38 TIP3 O1 C -0.834000 15.9994 - 113 SYS 38 TIP3 H1 A 0.417000 1.0079 - 114 SYS 38 TIP3 H2 A 0.417000 1.0079 - 115 SYS 39 TIP3 O1 C -0.834000 15.9994 - 116 SYS 39 TIP3 H1 A 0.417000 1.0079 - 117 SYS 39 TIP3 H2 A 0.417000 1.0079 - 118 SYS 40 TIP3 O1 C -0.834000 15.9994 - 119 SYS 40 TIP3 H1 A 0.417000 1.0079 - 120 SYS 40 TIP3 H2 A 0.417000 1.0079 - 121 SYS 41 TIP3 O1 C -0.834000 15.9994 - 122 SYS 41 TIP3 H1 A 0.417000 1.0079 - 123 SYS 41 TIP3 H2 A 0.417000 1.0079 - 124 SYS 42 TIP3 O1 C -0.834000 15.9994 - 125 SYS 42 TIP3 H1 A 0.417000 1.0079 - 126 SYS 42 TIP3 H2 A 0.417000 1.0079 - 127 SYS 43 TIP3 O1 C -0.834000 15.9994 - 128 SYS 43 TIP3 H1 A 0.417000 1.0079 - 129 SYS 43 TIP3 H2 A 0.417000 1.0079 - 130 SYS 44 TIP3 O1 C -0.834000 15.9994 - 131 SYS 44 TIP3 H1 A 0.417000 1.0079 - 132 SYS 44 TIP3 H2 A 0.417000 1.0079 - 133 SYS 45 TIP3 O1 C -0.834000 15.9994 - 134 SYS 45 TIP3 H1 A 0.417000 1.0079 - 135 SYS 45 TIP3 H2 A 0.417000 1.0079 - 136 SYS 46 TIP3 O1 C -0.834000 15.9994 - 137 SYS 46 TIP3 H1 A 0.417000 1.0079 - 138 SYS 46 TIP3 H2 A 0.417000 1.0079 - 139 SYS 47 TIP3 O1 C -0.834000 15.9994 - 140 SYS 47 TIP3 H1 A 0.417000 1.0079 - 141 SYS 47 TIP3 H2 A 0.417000 1.0079 - 142 SYS 48 TIP3 O1 C -0.834000 15.9994 - 143 SYS 48 TIP3 H1 A 0.417000 1.0079 - 144 SYS 48 TIP3 H2 A 0.417000 1.0079 - 145 SYS 49 TIP3 O1 C -0.834000 15.9994 - 146 SYS 49 TIP3 H1 A 0.417000 1.0079 - 147 SYS 49 TIP3 H2 A 0.417000 1.0079 - 148 SYS 50 TIP3 O1 C -0.834000 15.9994 - 149 SYS 50 TIP3 H1 A 0.417000 1.0079 - 150 SYS 50 TIP3 H2 A 0.417000 1.0079 - 151 SYS 51 TIP3 O1 C -0.834000 15.9994 - 152 SYS 51 TIP3 H1 A 0.417000 1.0079 - 153 SYS 51 TIP3 H2 A 0.417000 1.0079 - 154 SYS 52 TIP3 O1 C -0.834000 15.9994 - 155 SYS 52 TIP3 H1 A 0.417000 1.0079 - 156 SYS 52 TIP3 H2 A 0.417000 1.0079 - 157 SYS 53 TIP3 O1 C -0.834000 15.9994 - 158 SYS 53 TIP3 H1 A 0.417000 1.0079 - 159 SYS 53 TIP3 H2 A 0.417000 1.0079 - 160 SYS 54 TIP3 O1 C -0.834000 15.9994 - 161 SYS 54 TIP3 H1 A 0.417000 1.0079 - 162 SYS 54 TIP3 H2 A 0.417000 1.0079 - 163 SYS 55 TIP3 O1 C -0.834000 15.9994 - 164 SYS 55 TIP3 H1 A 0.417000 1.0079 - 165 SYS 55 TIP3 H2 A 0.417000 1.0079 - 166 SYS 56 TIP3 O1 C -0.834000 15.9994 - 167 SYS 56 TIP3 H1 A 0.417000 1.0079 - 168 SYS 56 TIP3 H2 A 0.417000 1.0079 - 169 SYS 57 TIP3 O1 C -0.834000 15.9994 - 170 SYS 57 TIP3 H1 A 0.417000 1.0079 - 171 SYS 57 TIP3 H2 A 0.417000 1.0079 - 172 SYS 58 TIP3 O1 C -0.834000 15.9994 - 173 SYS 58 TIP3 H1 A 0.417000 1.0079 - 174 SYS 58 TIP3 H2 A 0.417000 1.0079 - 175 SYS 59 TIP3 O1 C -0.834000 15.9994 - 176 SYS 59 TIP3 H1 A 0.417000 1.0079 - 177 SYS 59 TIP3 H2 A 0.417000 1.0079 - 178 SYS 60 TIP3 O1 C -0.834000 15.9994 - 179 SYS 60 TIP3 H1 A 0.417000 1.0079 - 180 SYS 60 TIP3 H2 A 0.417000 1.0079 - 181 SYS 61 TIP3 O1 C -0.834000 15.9994 - 182 SYS 61 TIP3 H1 A 0.417000 1.0079 - 183 SYS 61 TIP3 H2 A 0.417000 1.0079 - 184 SYS 62 TIP3 O1 C -0.834000 15.9994 - 185 SYS 62 TIP3 H1 A 0.417000 1.0079 - 186 SYS 62 TIP3 H2 A 0.417000 1.0079 - 187 SYS 63 TIP3 O1 C -0.834000 15.9994 - 188 SYS 63 TIP3 H1 A 0.417000 1.0079 - 189 SYS 63 TIP3 H2 A 0.417000 1.0079 - 190 SYS 64 TIP3 O1 C -0.834000 15.9994 - 191 SYS 64 TIP3 H1 A 0.417000 1.0079 - 192 SYS 64 TIP3 H2 A 0.417000 1.0079 - 193 SYS 65 TIP3 O1 C -0.834000 15.9994 - 194 SYS 65 TIP3 H1 A 0.417000 1.0079 - 195 SYS 65 TIP3 H2 A 0.417000 1.0079 - 196 SYS 66 TIP3 O1 C -0.834000 15.9994 - 197 SYS 66 TIP3 H1 A 0.417000 1.0079 - 198 SYS 66 TIP3 H2 A 0.417000 1.0079 - 199 SYS 67 TIP3 O1 C -0.834000 15.9994 - 200 SYS 67 TIP3 H1 A 0.417000 1.0079 - 201 SYS 67 TIP3 H2 A 0.417000 1.0079 - 202 SYS 68 TIP3 O1 C -0.834000 15.9994 - 203 SYS 68 TIP3 H1 A 0.417000 1.0079 - 204 SYS 68 TIP3 H2 A 0.417000 1.0079 - 205 SYS 69 TIP3 O1 C -0.834000 15.9994 - 206 SYS 69 TIP3 H1 A 0.417000 1.0079 - 207 SYS 69 TIP3 H2 A 0.417000 1.0079 - 208 SYS 70 TIP3 O1 C -0.834000 15.9994 - 209 SYS 70 TIP3 H1 A 0.417000 1.0079 - 210 SYS 70 TIP3 H2 A 0.417000 1.0079 - 211 SYS 71 TIP3 O1 C -0.834000 15.9994 - 212 SYS 71 TIP3 H1 A 0.417000 1.0079 - 213 SYS 71 TIP3 H2 A 0.417000 1.0079 - 214 SYS 72 TIP3 O1 C -0.834000 15.9994 - 215 SYS 72 TIP3 H1 A 0.417000 1.0079 - 216 SYS 72 TIP3 H2 A 0.417000 1.0079 - 217 SYS 73 TIP3 O1 C -0.834000 15.9994 - 218 SYS 73 TIP3 H1 A 0.417000 1.0079 - 219 SYS 73 TIP3 H2 A 0.417000 1.0079 - 220 SYS 74 TIP3 O1 C -0.834000 15.9994 - 221 SYS 74 TIP3 H1 A 0.417000 1.0079 - 222 SYS 74 TIP3 H2 A 0.417000 1.0079 - 223 SYS 75 TIP3 O1 C -0.834000 15.9994 - 224 SYS 75 TIP3 H1 A 0.417000 1.0079 - 225 SYS 75 TIP3 H2 A 0.417000 1.0079 - 226 SYS 76 TIP3 O1 C -0.834000 15.9994 - 227 SYS 76 TIP3 H1 A 0.417000 1.0079 - 228 SYS 76 TIP3 H2 A 0.417000 1.0079 - 229 SYS 77 TIP3 O1 C -0.834000 15.9994 - 230 SYS 77 TIP3 H1 A 0.417000 1.0079 - 231 SYS 77 TIP3 H2 A 0.417000 1.0079 - 232 SYS 78 TIP3 O1 C -0.834000 15.9994 - 233 SYS 78 TIP3 H1 A 0.417000 1.0079 - 234 SYS 78 TIP3 H2 A 0.417000 1.0079 - 235 SYS 79 TIP3 O1 C -0.834000 15.9994 - 236 SYS 79 TIP3 H1 A 0.417000 1.0079 - 237 SYS 79 TIP3 H2 A 0.417000 1.0079 - 238 SYS 80 TIP3 O1 C -0.834000 15.9994 - 239 SYS 80 TIP3 H1 A 0.417000 1.0079 - 240 SYS 80 TIP3 H2 A 0.417000 1.0079 - 241 SYS 81 TIP3 O1 C -0.834000 15.9994 - 242 SYS 81 TIP3 H1 A 0.417000 1.0079 - 243 SYS 81 TIP3 H2 A 0.417000 1.0079 - 244 SYS 82 TIP3 O1 C -0.834000 15.9994 - 245 SYS 82 TIP3 H1 A 0.417000 1.0079 - 246 SYS 82 TIP3 H2 A 0.417000 1.0079 - 247 SYS 83 TIP3 O1 C -0.834000 15.9994 - 248 SYS 83 TIP3 H1 A 0.417000 1.0079 - 249 SYS 83 TIP3 H2 A 0.417000 1.0079 - 250 SYS 84 TIP3 O1 C -0.834000 15.9994 - 251 SYS 84 TIP3 H1 A 0.417000 1.0079 - 252 SYS 84 TIP3 H2 A 0.417000 1.0079 - 253 SYS 85 TIP3 O1 C -0.834000 15.9994 - 254 SYS 85 TIP3 H1 A 0.417000 1.0079 - 255 SYS 85 TIP3 H2 A 0.417000 1.0079 - 256 SYS 86 TIP3 O1 C -0.834000 15.9994 - 257 SYS 86 TIP3 H1 A 0.417000 1.0079 - 258 SYS 86 TIP3 H2 A 0.417000 1.0079 - 259 SYS 87 TIP3 O1 C -0.834000 15.9994 - 260 SYS 87 TIP3 H1 A 0.417000 1.0079 - 261 SYS 87 TIP3 H2 A 0.417000 1.0079 - 262 SYS 88 TIP3 O1 C -0.834000 15.9994 - 263 SYS 88 TIP3 H1 A 0.417000 1.0079 - 264 SYS 88 TIP3 H2 A 0.417000 1.0079 - 265 SYS 89 TIP3 O1 C -0.834000 15.9994 - 266 SYS 89 TIP3 H1 A 0.417000 1.0079 - 267 SYS 89 TIP3 H2 A 0.417000 1.0079 - 268 SYS 90 TIP3 O1 C -0.834000 15.9994 - 269 SYS 90 TIP3 H1 A 0.417000 1.0079 - 270 SYS 90 TIP3 H2 A 0.417000 1.0079 - 271 SYS 91 TIP3 O1 C -0.834000 15.9994 - 272 SYS 91 TIP3 H1 A 0.417000 1.0079 - 273 SYS 91 TIP3 H2 A 0.417000 1.0079 - 274 SYS 92 TIP3 O1 C -0.834000 15.9994 - 275 SYS 92 TIP3 H1 A 0.417000 1.0079 - 276 SYS 92 TIP3 H2 A 0.417000 1.0079 - 277 SYS 93 TIP3 O1 C -0.834000 15.9994 - 278 SYS 93 TIP3 H1 A 0.417000 1.0079 - 279 SYS 93 TIP3 H2 A 0.417000 1.0079 - 280 SYS 94 TIP3 O1 C -0.834000 15.9994 - 281 SYS 94 TIP3 H1 A 0.417000 1.0079 - 282 SYS 94 TIP3 H2 A 0.417000 1.0079 - 283 SYS 95 TIP3 O1 C -0.834000 15.9994 - 284 SYS 95 TIP3 H1 A 0.417000 1.0079 - 285 SYS 95 TIP3 H2 A 0.417000 1.0079 - 286 SYS 96 TIP3 O1 C -0.834000 15.9994 - 287 SYS 96 TIP3 H1 A 0.417000 1.0079 - 288 SYS 96 TIP3 H2 A 0.417000 1.0079 - 289 SYS 97 TIP3 O1 C -0.834000 15.9994 - 290 SYS 97 TIP3 H1 A 0.417000 1.0079 - 291 SYS 97 TIP3 H2 A 0.417000 1.0079 - 292 SYS 98 TIP3 O1 C -0.834000 15.9994 - 293 SYS 98 TIP3 H1 A 0.417000 1.0079 - 294 SYS 98 TIP3 H2 A 0.417000 1.0079 - 295 SYS 99 TIP3 O1 C -0.834000 15.9994 - 296 SYS 99 TIP3 H1 A 0.417000 1.0079 - 297 SYS 99 TIP3 H2 A 0.417000 1.0079 - 298 SYS 100 TIP3 O1 C -0.834000 15.9994 - 299 SYS 100 TIP3 H1 A 0.417000 1.0079 - 300 SYS 100 TIP3 H2 A 0.417000 1.0079 - 301 SYS 101 TIP3 O1 C -0.834000 15.9994 - 302 SYS 101 TIP3 H1 A 0.417000 1.0079 - 303 SYS 101 TIP3 H2 A 0.417000 1.0079 - 304 SYS 102 TIP3 O1 C -0.834000 15.9994 - 305 SYS 102 TIP3 H1 A 0.417000 1.0079 - 306 SYS 102 TIP3 H2 A 0.417000 1.0079 - 307 SYS 103 TIP3 O1 C -0.834000 15.9994 - 308 SYS 103 TIP3 H1 A 0.417000 1.0079 - 309 SYS 103 TIP3 H2 A 0.417000 1.0079 - 310 SYS 104 TIP3 O1 C -0.834000 15.9994 - 311 SYS 104 TIP3 H1 A 0.417000 1.0079 - 312 SYS 104 TIP3 H2 A 0.417000 1.0079 - 313 SYS 105 TIP3 O1 C -0.834000 15.9994 - 314 SYS 105 TIP3 H1 A 0.417000 1.0079 - 315 SYS 105 TIP3 H2 A 0.417000 1.0079 - 316 SYS 106 TIP3 O1 C -0.834000 15.9994 - 317 SYS 106 TIP3 H1 A 0.417000 1.0079 - 318 SYS 106 TIP3 H2 A 0.417000 1.0079 - 319 SYS 107 TIP3 O1 C -0.834000 15.9994 - 320 SYS 107 TIP3 H1 A 0.417000 1.0079 - 321 SYS 107 TIP3 H2 A 0.417000 1.0079 - 322 SYS 108 TIP3 O1 C -0.834000 15.9994 - 323 SYS 108 TIP3 H1 A 0.417000 1.0079 - 324 SYS 108 TIP3 H2 A 0.417000 1.0079 - 325 SYS 109 TIP3 O1 C -0.834000 15.9994 - 326 SYS 109 TIP3 H1 A 0.417000 1.0079 - 327 SYS 109 TIP3 H2 A 0.417000 1.0079 - 328 SYS 110 TIP3 O1 C -0.834000 15.9994 - 329 SYS 110 TIP3 H1 A 0.417000 1.0079 - 330 SYS 110 TIP3 H2 A 0.417000 1.0079 - 331 SYS 111 TIP3 O1 C -0.834000 15.9994 - 332 SYS 111 TIP3 H1 A 0.417000 1.0079 - 333 SYS 111 TIP3 H2 A 0.417000 1.0079 - 334 SYS 112 TIP3 O1 C -0.834000 15.9994 - 335 SYS 112 TIP3 H1 A 0.417000 1.0079 - 336 SYS 112 TIP3 H2 A 0.417000 1.0079 - 337 SYS 113 TIP3 O1 C -0.834000 15.9994 - 338 SYS 113 TIP3 H1 A 0.417000 1.0079 - 339 SYS 113 TIP3 H2 A 0.417000 1.0079 - 340 SYS 114 TIP3 O1 C -0.834000 15.9994 - 341 SYS 114 TIP3 H1 A 0.417000 1.0079 - 342 SYS 114 TIP3 H2 A 0.417000 1.0079 - 343 SYS 115 TIP3 O1 C -0.834000 15.9994 - 344 SYS 115 TIP3 H1 A 0.417000 1.0079 - 345 SYS 115 TIP3 H2 A 0.417000 1.0079 - 346 SYS 116 TIP3 O1 C -0.834000 15.9994 - 347 SYS 116 TIP3 H1 A 0.417000 1.0079 - 348 SYS 116 TIP3 H2 A 0.417000 1.0079 - 349 SYS 117 TIP3 O1 C -0.834000 15.9994 - 350 SYS 117 TIP3 H1 A 0.417000 1.0079 - 351 SYS 117 TIP3 H2 A 0.417000 1.0079 - 352 SYS 118 TIP3 O1 C -0.834000 15.9994 - 353 SYS 118 TIP3 H1 A 0.417000 1.0079 - 354 SYS 118 TIP3 H2 A 0.417000 1.0079 - 355 SYS 119 TIP3 O1 C -0.834000 15.9994 - 356 SYS 119 TIP3 H1 A 0.417000 1.0079 - 357 SYS 119 TIP3 H2 A 0.417000 1.0079 - 358 SYS 120 TIP3 O1 C -0.834000 15.9994 - 359 SYS 120 TIP3 H1 A 0.417000 1.0079 - 360 SYS 120 TIP3 H2 A 0.417000 1.0079 - 361 SYS 121 TIP3 O1 C -0.834000 15.9994 - 362 SYS 121 TIP3 H1 A 0.417000 1.0079 - 363 SYS 121 TIP3 H2 A 0.417000 1.0079 - 364 SYS 122 TIP3 O1 C -0.834000 15.9994 - 365 SYS 122 TIP3 H1 A 0.417000 1.0079 - 366 SYS 122 TIP3 H2 A 0.417000 1.0079 - 367 SYS 123 TIP3 O1 C -0.834000 15.9994 - 368 SYS 123 TIP3 H1 A 0.417000 1.0079 - 369 SYS 123 TIP3 H2 A 0.417000 1.0079 - 370 SYS 124 TIP3 O1 C -0.834000 15.9994 - 371 SYS 124 TIP3 H1 A 0.417000 1.0079 - 372 SYS 124 TIP3 H2 A 0.417000 1.0079 - 373 SYS 125 TIP3 O1 C -0.834000 15.9994 - 374 SYS 125 TIP3 H1 A 0.417000 1.0079 - 375 SYS 125 TIP3 H2 A 0.417000 1.0079 - 376 SYS 126 TIP3 O1 C -0.834000 15.9994 - 377 SYS 126 TIP3 H1 A 0.417000 1.0079 - 378 SYS 126 TIP3 H2 A 0.417000 1.0079 - 379 SYS 127 TIP3 O1 C -0.834000 15.9994 - 380 SYS 127 TIP3 H1 A 0.417000 1.0079 - 381 SYS 127 TIP3 H2 A 0.417000 1.0079 - 382 SYS 128 TIP3 O1 C -0.834000 15.9994 - 383 SYS 128 TIP3 H1 A 0.417000 1.0079 - 384 SYS 128 TIP3 H2 A 0.417000 1.0079 - 385 SYS 129 TIP3 O1 C -0.834000 15.9994 - 386 SYS 129 TIP3 H1 A 0.417000 1.0079 - 387 SYS 129 TIP3 H2 A 0.417000 1.0079 - 388 SYS 130 TIP3 O1 C -0.834000 15.9994 - 389 SYS 130 TIP3 H1 A 0.417000 1.0079 - 390 SYS 130 TIP3 H2 A 0.417000 1.0079 - 391 SYS 131 TIP3 O1 C -0.834000 15.9994 - 392 SYS 131 TIP3 H1 A 0.417000 1.0079 - 393 SYS 131 TIP3 H2 A 0.417000 1.0079 - 394 SYS 132 TIP3 O1 C -0.834000 15.9994 - 395 SYS 132 TIP3 H1 A 0.417000 1.0079 - 396 SYS 132 TIP3 H2 A 0.417000 1.0079 - 397 SYS 133 TIP3 O1 C -0.834000 15.9994 - 398 SYS 133 TIP3 H1 A 0.417000 1.0079 - 399 SYS 133 TIP3 H2 A 0.417000 1.0079 - 400 SYS 134 TIP3 O1 C -0.834000 15.9994 - 401 SYS 134 TIP3 H1 A 0.417000 1.0079 - 402 SYS 134 TIP3 H2 A 0.417000 1.0079 - 403 SYS 135 TIP3 O1 C -0.834000 15.9994 - 404 SYS 135 TIP3 H1 A 0.417000 1.0079 - 405 SYS 135 TIP3 H2 A 0.417000 1.0079 - 406 SYS 136 TIP3 O1 C -0.834000 15.9994 - 407 SYS 136 TIP3 H1 A 0.417000 1.0079 - 408 SYS 136 TIP3 H2 A 0.417000 1.0079 - 409 SYS 137 TIP3 O1 C -0.834000 15.9994 - 410 SYS 137 TIP3 H1 A 0.417000 1.0079 - 411 SYS 137 TIP3 H2 A 0.417000 1.0079 - 412 SYS 138 TIP3 O1 C -0.834000 15.9994 - 413 SYS 138 TIP3 H1 A 0.417000 1.0079 - 414 SYS 138 TIP3 H2 A 0.417000 1.0079 - 415 SYS 139 TIP3 O1 C -0.834000 15.9994 - 416 SYS 139 TIP3 H1 A 0.417000 1.0079 - 417 SYS 139 TIP3 H2 A 0.417000 1.0079 - 418 SYS 140 TIP3 O1 C -0.834000 15.9994 - 419 SYS 140 TIP3 H1 A 0.417000 1.0079 - 420 SYS 140 TIP3 H2 A 0.417000 1.0079 - 421 SYS 141 TIP3 O1 C -0.834000 15.9994 - 422 SYS 141 TIP3 H1 A 0.417000 1.0079 - 423 SYS 141 TIP3 H2 A 0.417000 1.0079 - 424 SYS 142 TIP3 O1 C -0.834000 15.9994 - 425 SYS 142 TIP3 H1 A 0.417000 1.0079 - 426 SYS 142 TIP3 H2 A 0.417000 1.0079 - 427 SYS 143 TIP3 O1 C -0.834000 15.9994 - 428 SYS 143 TIP3 H1 A 0.417000 1.0079 - 429 SYS 143 TIP3 H2 A 0.417000 1.0079 - 430 SYS 144 TIP3 O1 C -0.834000 15.9994 - 431 SYS 144 TIP3 H1 A 0.417000 1.0079 - 432 SYS 144 TIP3 H2 A 0.417000 1.0079 - 433 SYS 145 TIP3 O1 C -0.834000 15.9994 - 434 SYS 145 TIP3 H1 A 0.417000 1.0079 - 435 SYS 145 TIP3 H2 A 0.417000 1.0079 - 436 SYS 146 TIP3 O1 C -0.834000 15.9994 - 437 SYS 146 TIP3 H1 A 0.417000 1.0079 - 438 SYS 146 TIP3 H2 A 0.417000 1.0079 - 439 SYS 147 TIP3 O1 C -0.834000 15.9994 - 440 SYS 147 TIP3 H1 A 0.417000 1.0079 - 441 SYS 147 TIP3 H2 A 0.417000 1.0079 - 442 SYS 148 TIP3 O1 C -0.834000 15.9994 - 443 SYS 148 TIP3 H1 A 0.417000 1.0079 - 444 SYS 148 TIP3 H2 A 0.417000 1.0079 - 445 SYS 149 TIP3 O1 C -0.834000 15.9994 - 446 SYS 149 TIP3 H1 A 0.417000 1.0079 - 447 SYS 149 TIP3 H2 A 0.417000 1.0079 - 448 SYS 150 TIP3 O1 C -0.834000 15.9994 - 449 SYS 150 TIP3 H1 A 0.417000 1.0079 - 450 SYS 150 TIP3 H2 A 0.417000 1.0079 - 451 SYS 151 TIP3 O1 C -0.834000 15.9994 - 452 SYS 151 TIP3 H1 A 0.417000 1.0079 - 453 SYS 151 TIP3 H2 A 0.417000 1.0079 - 454 SYS 152 TIP3 O1 C -0.834000 15.9994 - 455 SYS 152 TIP3 H1 A 0.417000 1.0079 - 456 SYS 152 TIP3 H2 A 0.417000 1.0079 - 457 SYS 153 TIP3 O1 C -0.834000 15.9994 - 458 SYS 153 TIP3 H1 A 0.417000 1.0079 - 459 SYS 153 TIP3 H2 A 0.417000 1.0079 - 460 SYS 154 TIP3 O1 C -0.834000 15.9994 - 461 SYS 154 TIP3 H1 A 0.417000 1.0079 - 462 SYS 154 TIP3 H2 A 0.417000 1.0079 - 463 SYS 155 TIP3 O1 C -0.834000 15.9994 - 464 SYS 155 TIP3 H1 A 0.417000 1.0079 - 465 SYS 155 TIP3 H2 A 0.417000 1.0079 - 466 SYS 156 TIP3 O1 C -0.834000 15.9994 - 467 SYS 156 TIP3 H1 A 0.417000 1.0079 - 468 SYS 156 TIP3 H2 A 0.417000 1.0079 - 469 SYS 157 TIP3 O1 C -0.834000 15.9994 - 470 SYS 157 TIP3 H1 A 0.417000 1.0079 - 471 SYS 157 TIP3 H2 A 0.417000 1.0079 - 472 SYS 158 TIP3 O1 C -0.834000 15.9994 - 473 SYS 158 TIP3 H1 A 0.417000 1.0079 - 474 SYS 158 TIP3 H2 A 0.417000 1.0079 - 475 SYS 159 TIP3 O1 C -0.834000 15.9994 - 476 SYS 159 TIP3 H1 A 0.417000 1.0079 - 477 SYS 159 TIP3 H2 A 0.417000 1.0079 - 478 SYS 160 TIP3 O1 C -0.834000 15.9994 - 479 SYS 160 TIP3 H1 A 0.417000 1.0079 - 480 SYS 160 TIP3 H2 A 0.417000 1.0079 - 481 SYS 161 TIP3 O1 C -0.834000 15.9994 - 482 SYS 161 TIP3 H1 A 0.417000 1.0079 - 483 SYS 161 TIP3 H2 A 0.417000 1.0079 - 484 SYS 162 TIP3 O1 C -0.834000 15.9994 - 485 SYS 162 TIP3 H1 A 0.417000 1.0079 - 486 SYS 162 TIP3 H2 A 0.417000 1.0079 - 487 SYS 163 TIP3 O1 C -0.834000 15.9994 - 488 SYS 163 TIP3 H1 A 0.417000 1.0079 - 489 SYS 163 TIP3 H2 A 0.417000 1.0079 - 490 SYS 164 TIP3 O1 C -0.834000 15.9994 - 491 SYS 164 TIP3 H1 A 0.417000 1.0079 - 492 SYS 164 TIP3 H2 A 0.417000 1.0079 - 493 SYS 165 TIP3 O1 C -0.834000 15.9994 - 494 SYS 165 TIP3 H1 A 0.417000 1.0079 - 495 SYS 165 TIP3 H2 A 0.417000 1.0079 - 496 SYS 166 TIP3 O1 C -0.834000 15.9994 - 497 SYS 166 TIP3 H1 A 0.417000 1.0079 - 498 SYS 166 TIP3 H2 A 0.417000 1.0079 - 499 SYS 167 TIP3 O1 C -0.834000 15.9994 - 500 SYS 167 TIP3 H1 A 0.417000 1.0079 - 501 SYS 167 TIP3 H2 A 0.417000 1.0079 - 502 SYS 168 TIP3 O1 C -0.834000 15.9994 - 503 SYS 168 TIP3 H1 A 0.417000 1.0079 - 504 SYS 168 TIP3 H2 A 0.417000 1.0079 - 505 SYS 169 TIP3 O1 C -0.834000 15.9994 - 506 SYS 169 TIP3 H1 A 0.417000 1.0079 - 507 SYS 169 TIP3 H2 A 0.417000 1.0079 - 508 SYS 170 TIP3 O1 C -0.834000 15.9994 - 509 SYS 170 TIP3 H1 A 0.417000 1.0079 - 510 SYS 170 TIP3 H2 A 0.417000 1.0079 - 511 SYS 171 TIP3 O1 C -0.834000 15.9994 - 512 SYS 171 TIP3 H1 A 0.417000 1.0079 - 513 SYS 171 TIP3 H2 A 0.417000 1.0079 - 514 SYS 172 TIP3 O1 C -0.834000 15.9994 - 515 SYS 172 TIP3 H1 A 0.417000 1.0079 - 516 SYS 172 TIP3 H2 A 0.417000 1.0079 - 517 SYS 173 TIP3 O1 C -0.834000 15.9994 - 518 SYS 173 TIP3 H1 A 0.417000 1.0079 - 519 SYS 173 TIP3 H2 A 0.417000 1.0079 - 520 SYS 174 TIP3 O1 C -0.834000 15.9994 - 521 SYS 174 TIP3 H1 A 0.417000 1.0079 - 522 SYS 174 TIP3 H2 A 0.417000 1.0079 - 523 SYS 175 TIP3 O1 C -0.834000 15.9994 - 524 SYS 175 TIP3 H1 A 0.417000 1.0079 - 525 SYS 175 TIP3 H2 A 0.417000 1.0079 - 526 SYS 176 TIP3 O1 C -0.834000 15.9994 - 527 SYS 176 TIP3 H1 A 0.417000 1.0079 - 528 SYS 176 TIP3 H2 A 0.417000 1.0079 - 529 SYS 177 TIP3 O1 C -0.834000 15.9994 - 530 SYS 177 TIP3 H1 A 0.417000 1.0079 - 531 SYS 177 TIP3 H2 A 0.417000 1.0079 - 532 SYS 178 TIP3 O1 C -0.834000 15.9994 - 533 SYS 178 TIP3 H1 A 0.417000 1.0079 - 534 SYS 178 TIP3 H2 A 0.417000 1.0079 - 535 SYS 179 TIP3 O1 C -0.834000 15.9994 - 536 SYS 179 TIP3 H1 A 0.417000 1.0079 - 537 SYS 179 TIP3 H2 A 0.417000 1.0079 - 538 SYS 180 TIP3 O1 C -0.834000 15.9994 - 539 SYS 180 TIP3 H1 A 0.417000 1.0079 - 540 SYS 180 TIP3 H2 A 0.417000 1.0079 - 541 SYS 181 TIP3 O1 C -0.834000 15.9994 - 542 SYS 181 TIP3 H1 A 0.417000 1.0079 - 543 SYS 181 TIP3 H2 A 0.417000 1.0079 - 544 SYS 182 TIP3 O1 C -0.834000 15.9994 - 545 SYS 182 TIP3 H1 A 0.417000 1.0079 - 546 SYS 182 TIP3 H2 A 0.417000 1.0079 - 547 SYS 183 TIP3 O1 C -0.834000 15.9994 - 548 SYS 183 TIP3 H1 A 0.417000 1.0079 - 549 SYS 183 TIP3 H2 A 0.417000 1.0079 - 550 SYS 184 TIP3 O1 C -0.834000 15.9994 - 551 SYS 184 TIP3 H1 A 0.417000 1.0079 - 552 SYS 184 TIP3 H2 A 0.417000 1.0079 - 553 SYS 185 TIP3 O1 C -0.834000 15.9994 - 554 SYS 185 TIP3 H1 A 0.417000 1.0079 - 555 SYS 185 TIP3 H2 A 0.417000 1.0079 - 556 SYS 186 TIP3 O1 C -0.834000 15.9994 - 557 SYS 186 TIP3 H1 A 0.417000 1.0079 - 558 SYS 186 TIP3 H2 A 0.417000 1.0079 - 559 SYS 187 TIP3 O1 C -0.834000 15.9994 - 560 SYS 187 TIP3 H1 A 0.417000 1.0079 - 561 SYS 187 TIP3 H2 A 0.417000 1.0079 - 562 SYS 188 TIP3 O1 C -0.834000 15.9994 - 563 SYS 188 TIP3 H1 A 0.417000 1.0079 - 564 SYS 188 TIP3 H2 A 0.417000 1.0079 - 565 SYS 189 TIP3 O1 C -0.834000 15.9994 - 566 SYS 189 TIP3 H1 A 0.417000 1.0079 - 567 SYS 189 TIP3 H2 A 0.417000 1.0079 - 568 SYS 190 TIP3 O1 C -0.834000 15.9994 - 569 SYS 190 TIP3 H1 A 0.417000 1.0079 - 570 SYS 190 TIP3 H2 A 0.417000 1.0079 - 571 SYS 191 TIP3 O1 C -0.834000 15.9994 - 572 SYS 191 TIP3 H1 A 0.417000 1.0079 - 573 SYS 191 TIP3 H2 A 0.417000 1.0079 - 574 SYS 192 TIP3 O1 C -0.834000 15.9994 - 575 SYS 192 TIP3 H1 A 0.417000 1.0079 - 576 SYS 192 TIP3 H2 A 0.417000 1.0079 - 577 SYS 193 TIP3 O1 C -0.834000 15.9994 - 578 SYS 193 TIP3 H1 A 0.417000 1.0079 - 579 SYS 193 TIP3 H2 A 0.417000 1.0079 - 580 SYS 194 TIP3 O1 C -0.834000 15.9994 - 581 SYS 194 TIP3 H1 A 0.417000 1.0079 - 582 SYS 194 TIP3 H2 A 0.417000 1.0079 - 583 SYS 195 TIP3 O1 C -0.834000 15.9994 - 584 SYS 195 TIP3 H1 A 0.417000 1.0079 - 585 SYS 195 TIP3 H2 A 0.417000 1.0079 - 586 SYS 196 TIP3 O1 C -0.834000 15.9994 - 587 SYS 196 TIP3 H1 A 0.417000 1.0079 - 588 SYS 196 TIP3 H2 A 0.417000 1.0079 - 589 SYS 197 TIP3 O1 C -0.834000 15.9994 - 590 SYS 197 TIP3 H1 A 0.417000 1.0079 - 591 SYS 197 TIP3 H2 A 0.417000 1.0079 - 592 SYS 198 TIP3 O1 C -0.834000 15.9994 - 593 SYS 198 TIP3 H1 A 0.417000 1.0079 - 594 SYS 198 TIP3 H2 A 0.417000 1.0079 - 595 SYS 199 TIP3 O1 C -0.834000 15.9994 - 596 SYS 199 TIP3 H1 A 0.417000 1.0079 - 597 SYS 199 TIP3 H2 A 0.417000 1.0079 - 598 SYS 200 TIP3 O1 C -0.834000 15.9994 - 599 SYS 200 TIP3 H1 A 0.417000 1.0079 - 600 SYS 200 TIP3 H2 A 0.417000 1.0079 - 601 SYS 201 TIP3 O1 C -0.834000 15.9994 - 602 SYS 201 TIP3 H1 A 0.417000 1.0079 - 603 SYS 201 TIP3 H2 A 0.417000 1.0079 - 604 SYS 202 TIP3 O1 C -0.834000 15.9994 - 605 SYS 202 TIP3 H1 A 0.417000 1.0079 - 606 SYS 202 TIP3 H2 A 0.417000 1.0079 - 607 SYS 203 TIP3 O1 C -0.834000 15.9994 - 608 SYS 203 TIP3 H1 A 0.417000 1.0079 - 609 SYS 203 TIP3 H2 A 0.417000 1.0079 - 610 SYS 204 TIP3 O1 C -0.834000 15.9994 - 611 SYS 204 TIP3 H1 A 0.417000 1.0079 - 612 SYS 204 TIP3 H2 A 0.417000 1.0079 - 613 SYS 205 TIP3 O1 C -0.834000 15.9994 - 614 SYS 205 TIP3 H1 A 0.417000 1.0079 - 615 SYS 205 TIP3 H2 A 0.417000 1.0079 - 616 SYS 206 TIP3 O1 C -0.834000 15.9994 - 617 SYS 206 TIP3 H1 A 0.417000 1.0079 - 618 SYS 206 TIP3 H2 A 0.417000 1.0079 - 619 SYS 207 TIP3 O1 C -0.834000 15.9994 - 620 SYS 207 TIP3 H1 A 0.417000 1.0079 - 621 SYS 207 TIP3 H2 A 0.417000 1.0079 - 622 SYS 208 TIP3 O1 C -0.834000 15.9994 - 623 SYS 208 TIP3 H1 A 0.417000 1.0079 - 624 SYS 208 TIP3 H2 A 0.417000 1.0079 - 625 SYS 209 TIP3 O1 C -0.834000 15.9994 - 626 SYS 209 TIP3 H1 A 0.417000 1.0079 - 627 SYS 209 TIP3 H2 A 0.417000 1.0079 - 628 SYS 210 TIP3 O1 C -0.834000 15.9994 - 629 SYS 210 TIP3 H1 A 0.417000 1.0079 - 630 SYS 210 TIP3 H2 A 0.417000 1.0079 - 631 SYS 211 TIP3 O1 C -0.834000 15.9994 - 632 SYS 211 TIP3 H1 A 0.417000 1.0079 - 633 SYS 211 TIP3 H2 A 0.417000 1.0079 - 634 SYS 212 TIP3 O1 C -0.834000 15.9994 - 635 SYS 212 TIP3 H1 A 0.417000 1.0079 - 636 SYS 212 TIP3 H2 A 0.417000 1.0079 - 637 SYS 213 TIP3 O1 C -0.834000 15.9994 - 638 SYS 213 TIP3 H1 A 0.417000 1.0079 - 639 SYS 213 TIP3 H2 A 0.417000 1.0079 - 640 SYS 214 TIP3 O1 C -0.834000 15.9994 - 641 SYS 214 TIP3 H1 A 0.417000 1.0079 - 642 SYS 214 TIP3 H2 A 0.417000 1.0079 - 643 SYS 215 TIP3 O1 C -0.834000 15.9994 - 644 SYS 215 TIP3 H1 A 0.417000 1.0079 - 645 SYS 215 TIP3 H2 A 0.417000 1.0079 - 646 SYS 216 TIP3 O1 C -0.834000 15.9994 - 647 SYS 216 TIP3 H1 A 0.417000 1.0079 - 648 SYS 216 TIP3 H2 A 0.417000 1.0079 - 649 SYS 217 TIP3 O1 C -0.834000 15.9994 - 650 SYS 217 TIP3 H1 A 0.417000 1.0079 - 651 SYS 217 TIP3 H2 A 0.417000 1.0079 - 652 SYS 218 TIP3 O1 C -0.834000 15.9994 - 653 SYS 218 TIP3 H1 A 0.417000 1.0079 - 654 SYS 218 TIP3 H2 A 0.417000 1.0079 - 655 SYS 219 TIP3 O1 C -0.834000 15.9994 - 656 SYS 219 TIP3 H1 A 0.417000 1.0079 - 657 SYS 219 TIP3 H2 A 0.417000 1.0079 - 658 SYS 220 TIP3 O1 C -0.834000 15.9994 - 659 SYS 220 TIP3 H1 A 0.417000 1.0079 - 660 SYS 220 TIP3 H2 A 0.417000 1.0079 - 661 SYS 221 TIP3 O1 C -0.834000 15.9994 - 662 SYS 221 TIP3 H1 A 0.417000 1.0079 - 663 SYS 221 TIP3 H2 A 0.417000 1.0079 - 664 SYS 222 TIP3 O1 C -0.834000 15.9994 - 665 SYS 222 TIP3 H1 A 0.417000 1.0079 - 666 SYS 222 TIP3 H2 A 0.417000 1.0079 - 667 SYS 223 TIP3 O1 C -0.834000 15.9994 - 668 SYS 223 TIP3 H1 A 0.417000 1.0079 - 669 SYS 223 TIP3 H2 A 0.417000 1.0079 - 670 SYS 224 TIP3 O1 C -0.834000 15.9994 - 671 SYS 224 TIP3 H1 A 0.417000 1.0079 - 672 SYS 224 TIP3 H2 A 0.417000 1.0079 - 673 SYS 225 TIP3 O1 C -0.834000 15.9994 - 674 SYS 225 TIP3 H1 A 0.417000 1.0079 - 675 SYS 225 TIP3 H2 A 0.417000 1.0079 - 676 SYS 226 TIP3 O1 C -0.834000 15.9994 - 677 SYS 226 TIP3 H1 A 0.417000 1.0079 - 678 SYS 226 TIP3 H2 A 0.417000 1.0079 - 679 SYS 227 TIP3 O1 C -0.834000 15.9994 - 680 SYS 227 TIP3 H1 A 0.417000 1.0079 - 681 SYS 227 TIP3 H2 A 0.417000 1.0079 - 682 SYS 228 TIP3 O1 C -0.834000 15.9994 - 683 SYS 228 TIP3 H1 A 0.417000 1.0079 - 684 SYS 228 TIP3 H2 A 0.417000 1.0079 - 685 SYS 229 TIP3 O1 C -0.834000 15.9994 - 686 SYS 229 TIP3 H1 A 0.417000 1.0079 - 687 SYS 229 TIP3 H2 A 0.417000 1.0079 - 688 SYS 230 TIP3 O1 C -0.834000 15.9994 - 689 SYS 230 TIP3 H1 A 0.417000 1.0079 - 690 SYS 230 TIP3 H2 A 0.417000 1.0079 - 691 SYS 231 TIP3 O1 C -0.834000 15.9994 - 692 SYS 231 TIP3 H1 A 0.417000 1.0079 - 693 SYS 231 TIP3 H2 A 0.417000 1.0079 - 694 SYS 232 TIP3 O1 C -0.834000 15.9994 - 695 SYS 232 TIP3 H1 A 0.417000 1.0079 - 696 SYS 232 TIP3 H2 A 0.417000 1.0079 - 697 SYS 233 TIP3 O1 C -0.834000 15.9994 - 698 SYS 233 TIP3 H1 A 0.417000 1.0079 - 699 SYS 233 TIP3 H2 A 0.417000 1.0079 - 700 SYS 234 TIP3 O1 C -0.834000 15.9994 - 701 SYS 234 TIP3 H1 A 0.417000 1.0079 - 702 SYS 234 TIP3 H2 A 0.417000 1.0079 - 703 SYS 235 TIP3 O1 C -0.834000 15.9994 - 704 SYS 235 TIP3 H1 A 0.417000 1.0079 - 705 SYS 235 TIP3 H2 A 0.417000 1.0079 - 706 SYS 236 TIP3 O1 C -0.834000 15.9994 - 707 SYS 236 TIP3 H1 A 0.417000 1.0079 - 708 SYS 236 TIP3 H2 A 0.417000 1.0079 - 709 SYS 237 TIP3 O1 C -0.834000 15.9994 - 710 SYS 237 TIP3 H1 A 0.417000 1.0079 - 711 SYS 237 TIP3 H2 A 0.417000 1.0079 - 712 SYS 238 TIP3 O1 C -0.834000 15.9994 - 713 SYS 238 TIP3 H1 A 0.417000 1.0079 - 714 SYS 238 TIP3 H2 A 0.417000 1.0079 - 715 SYS 239 TIP3 O1 C -0.834000 15.9994 - 716 SYS 239 TIP3 H1 A 0.417000 1.0079 - 717 SYS 239 TIP3 H2 A 0.417000 1.0079 - 718 SYS 240 TIP3 O1 C -0.834000 15.9994 - 719 SYS 240 TIP3 H1 A 0.417000 1.0079 - 720 SYS 240 TIP3 H2 A 0.417000 1.0079 - 721 SYS 241 TIP3 O1 C -0.834000 15.9994 - 722 SYS 241 TIP3 H1 A 0.417000 1.0079 - 723 SYS 241 TIP3 H2 A 0.417000 1.0079 - 724 SYS 242 TIP3 O1 C -0.834000 15.9994 - 725 SYS 242 TIP3 H1 A 0.417000 1.0079 - 726 SYS 242 TIP3 H2 A 0.417000 1.0079 - 727 SYS 243 TIP3 O1 C -0.834000 15.9994 - 728 SYS 243 TIP3 H1 A 0.417000 1.0079 - 729 SYS 243 TIP3 H2 A 0.417000 1.0079 - 730 SYS 244 TIP3 O1 C -0.834000 15.9994 - 731 SYS 244 TIP3 H1 A 0.417000 1.0079 - 732 SYS 244 TIP3 H2 A 0.417000 1.0079 - 733 SYS 245 TIP3 O1 C -0.834000 15.9994 - 734 SYS 245 TIP3 H1 A 0.417000 1.0079 - 735 SYS 245 TIP3 H2 A 0.417000 1.0079 - 736 SYS 246 TIP3 O1 C -0.834000 15.9994 - 737 SYS 246 TIP3 H1 A 0.417000 1.0079 - 738 SYS 246 TIP3 H2 A 0.417000 1.0079 - 739 SYS 247 TIP3 O1 C -0.834000 15.9994 - 740 SYS 247 TIP3 H1 A 0.417000 1.0079 - 741 SYS 247 TIP3 H2 A 0.417000 1.0079 - 742 SYS 248 TIP3 O1 C -0.834000 15.9994 - 743 SYS 248 TIP3 H1 A 0.417000 1.0079 - 744 SYS 248 TIP3 H2 A 0.417000 1.0079 - 745 SYS 249 TIP3 O1 C -0.834000 15.9994 - 746 SYS 249 TIP3 H1 A 0.417000 1.0079 - 747 SYS 249 TIP3 H2 A 0.417000 1.0079 - 748 SYS 250 TIP3 O1 C -0.834000 15.9994 - 749 SYS 250 TIP3 H1 A 0.417000 1.0079 - 750 SYS 250 TIP3 H2 A 0.417000 1.0079 - 751 SYS 251 TIP3 O1 C -0.834000 15.9994 - 752 SYS 251 TIP3 H1 A 0.417000 1.0079 - 753 SYS 251 TIP3 H2 A 0.417000 1.0079 - 754 SYS 252 TIP3 O1 C -0.834000 15.9994 - 755 SYS 252 TIP3 H1 A 0.417000 1.0079 - 756 SYS 252 TIP3 H2 A 0.417000 1.0079 - 757 SYS 253 TIP3 O1 C -0.834000 15.9994 - 758 SYS 253 TIP3 H1 A 0.417000 1.0079 - 759 SYS 253 TIP3 H2 A 0.417000 1.0079 - 760 SYS 254 TIP3 O1 C -0.834000 15.9994 - 761 SYS 254 TIP3 H1 A 0.417000 1.0079 - 762 SYS 254 TIP3 H2 A 0.417000 1.0079 - 763 SYS 255 TIP3 O1 C -0.834000 15.9994 - 764 SYS 255 TIP3 H1 A 0.417000 1.0079 - 765 SYS 255 TIP3 H2 A 0.417000 1.0079 - 766 SYS 256 TIP3 O1 C -0.834000 15.9994 - 767 SYS 256 TIP3 H1 A 0.417000 1.0079 - 768 SYS 256 TIP3 H2 A 0.417000 1.0079 - 769 SYS 257 TIP3 O1 C -0.834000 15.9994 - 770 SYS 257 TIP3 H1 A 0.417000 1.0079 - 771 SYS 257 TIP3 H2 A 0.417000 1.0079 - 772 SYS 258 TIP3 O1 C -0.834000 15.9994 - 773 SYS 258 TIP3 H1 A 0.417000 1.0079 - 774 SYS 258 TIP3 H2 A 0.417000 1.0079 - 775 SYS 259 TIP3 O1 C -0.834000 15.9994 - 776 SYS 259 TIP3 H1 A 0.417000 1.0079 - 777 SYS 259 TIP3 H2 A 0.417000 1.0079 - 778 SYS 260 TIP3 O1 C -0.834000 15.9994 - 779 SYS 260 TIP3 H1 A 0.417000 1.0079 - 780 SYS 260 TIP3 H2 A 0.417000 1.0079 - 781 SYS 261 TIP3 O1 C -0.834000 15.9994 - 782 SYS 261 TIP3 H1 A 0.417000 1.0079 - 783 SYS 261 TIP3 H2 A 0.417000 1.0079 - 784 SYS 262 TIP3 O1 C -0.834000 15.9994 - 785 SYS 262 TIP3 H1 A 0.417000 1.0079 - 786 SYS 262 TIP3 H2 A 0.417000 1.0079 - 787 SYS 263 TIP3 O1 C -0.834000 15.9994 - 788 SYS 263 TIP3 H1 A 0.417000 1.0079 - 789 SYS 263 TIP3 H2 A 0.417000 1.0079 - 790 SYS 264 TIP3 O1 C -0.834000 15.9994 - 791 SYS 264 TIP3 H1 A 0.417000 1.0079 - 792 SYS 264 TIP3 H2 A 0.417000 1.0079 - 793 SYS 265 TIP3 O1 C -0.834000 15.9994 - 794 SYS 265 TIP3 H1 A 0.417000 1.0079 - 795 SYS 265 TIP3 H2 A 0.417000 1.0079 - 796 SYS 266 TIP3 O1 C -0.834000 15.9994 - 797 SYS 266 TIP3 H1 A 0.417000 1.0079 - 798 SYS 266 TIP3 H2 A 0.417000 1.0079 - 799 SYS 267 TIP3 O1 C -0.834000 15.9994 - 800 SYS 267 TIP3 H1 A 0.417000 1.0079 - 801 SYS 267 TIP3 H2 A 0.417000 1.0079 - 802 SYS 268 TIP3 O1 C -0.834000 15.9994 - 803 SYS 268 TIP3 H1 A 0.417000 1.0079 - 804 SYS 268 TIP3 H2 A 0.417000 1.0079 - 805 SYS 269 TIP3 O1 C -0.834000 15.9994 - 806 SYS 269 TIP3 H1 A 0.417000 1.0079 - 807 SYS 269 TIP3 H2 A 0.417000 1.0079 - 808 SYS 270 TIP3 O1 C -0.834000 15.9994 - 809 SYS 270 TIP3 H1 A 0.417000 1.0079 - 810 SYS 270 TIP3 H2 A 0.417000 1.0079 - 811 SYS 271 TIP3 O1 C -0.834000 15.9994 - 812 SYS 271 TIP3 H1 A 0.417000 1.0079 - 813 SYS 271 TIP3 H2 A 0.417000 1.0079 - 814 SYS 272 TIP3 O1 C -0.834000 15.9994 - 815 SYS 272 TIP3 H1 A 0.417000 1.0079 - 816 SYS 272 TIP3 H2 A 0.417000 1.0079 - 817 SYS 273 TIP3 O1 C -0.834000 15.9994 - 818 SYS 273 TIP3 H1 A 0.417000 1.0079 - 819 SYS 273 TIP3 H2 A 0.417000 1.0079 - 820 SYS 274 TIP3 O1 C -0.834000 15.9994 - 821 SYS 274 TIP3 H1 A 0.417000 1.0079 - 822 SYS 274 TIP3 H2 A 0.417000 1.0079 - 823 SYS 275 TIP3 O1 C -0.834000 15.9994 - 824 SYS 275 TIP3 H1 A 0.417000 1.0079 - 825 SYS 275 TIP3 H2 A 0.417000 1.0079 - 826 SYS 276 TIP3 O1 C -0.834000 15.9994 - 827 SYS 276 TIP3 H1 A 0.417000 1.0079 - 828 SYS 276 TIP3 H2 A 0.417000 1.0079 - 829 SYS 277 TIP3 O1 C -0.834000 15.9994 - 830 SYS 277 TIP3 H1 A 0.417000 1.0079 - 831 SYS 277 TIP3 H2 A 0.417000 1.0079 - 832 SYS 278 TIP3 O1 C -0.834000 15.9994 - 833 SYS 278 TIP3 H1 A 0.417000 1.0079 - 834 SYS 278 TIP3 H2 A 0.417000 1.0079 - 835 SYS 279 TIP3 O1 C -0.834000 15.9994 - 836 SYS 279 TIP3 H1 A 0.417000 1.0079 - 837 SYS 279 TIP3 H2 A 0.417000 1.0079 - 838 SYS 280 TIP3 O1 C -0.834000 15.9994 - 839 SYS 280 TIP3 H1 A 0.417000 1.0079 - 840 SYS 280 TIP3 H2 A 0.417000 1.0079 - 841 SYS 281 TIP3 O1 C -0.834000 15.9994 - 842 SYS 281 TIP3 H1 A 0.417000 1.0079 - 843 SYS 281 TIP3 H2 A 0.417000 1.0079 - 844 SYS 282 TIP3 O1 C -0.834000 15.9994 - 845 SYS 282 TIP3 H1 A 0.417000 1.0079 - 846 SYS 282 TIP3 H2 A 0.417000 1.0079 - 847 SYS 283 TIP3 O1 C -0.834000 15.9994 - 848 SYS 283 TIP3 H1 A 0.417000 1.0079 - 849 SYS 283 TIP3 H2 A 0.417000 1.0079 - 850 SYS 284 TIP3 O1 C -0.834000 15.9994 - 851 SYS 284 TIP3 H1 A 0.417000 1.0079 - 852 SYS 284 TIP3 H2 A 0.417000 1.0079 - 853 SYS 285 TIP3 O1 C -0.834000 15.9994 - 854 SYS 285 TIP3 H1 A 0.417000 1.0079 - 855 SYS 285 TIP3 H2 A 0.417000 1.0079 - 856 SYS 286 TIP3 O1 C -0.834000 15.9994 - 857 SYS 286 TIP3 H1 A 0.417000 1.0079 - 858 SYS 286 TIP3 H2 A 0.417000 1.0079 - 859 SYS 287 TIP3 O1 C -0.834000 15.9994 - 860 SYS 287 TIP3 H1 A 0.417000 1.0079 - 861 SYS 287 TIP3 H2 A 0.417000 1.0079 - 862 SYS 288 TIP3 O1 C -0.834000 15.9994 - 863 SYS 288 TIP3 H1 A 0.417000 1.0079 - 864 SYS 288 TIP3 H2 A 0.417000 1.0079 - 865 SYS 289 TIP3 O1 C -0.834000 15.9994 - 866 SYS 289 TIP3 H1 A 0.417000 1.0079 - 867 SYS 289 TIP3 H2 A 0.417000 1.0079 - 868 SYS 290 TIP3 O1 C -0.834000 15.9994 - 869 SYS 290 TIP3 H1 A 0.417000 1.0079 - 870 SYS 290 TIP3 H2 A 0.417000 1.0079 - 871 SYS 291 TIP3 O1 C -0.834000 15.9994 - 872 SYS 291 TIP3 H1 A 0.417000 1.0079 - 873 SYS 291 TIP3 H2 A 0.417000 1.0079 - 874 SYS 292 TIP3 O1 C -0.834000 15.9994 - 875 SYS 292 TIP3 H1 A 0.417000 1.0079 - 876 SYS 292 TIP3 H2 A 0.417000 1.0079 - 877 SYS 293 TIP3 O1 C -0.834000 15.9994 - 878 SYS 293 TIP3 H1 A 0.417000 1.0079 - 879 SYS 293 TIP3 H2 A 0.417000 1.0079 - 880 SYS 294 TIP3 O1 C -0.834000 15.9994 - 881 SYS 294 TIP3 H1 A 0.417000 1.0079 - 882 SYS 294 TIP3 H2 A 0.417000 1.0079 - 883 SYS 295 TIP3 O1 C -0.834000 15.9994 - 884 SYS 295 TIP3 H1 A 0.417000 1.0079 - 885 SYS 295 TIP3 H2 A 0.417000 1.0079 - 886 SYS 296 TIP3 O1 C -0.834000 15.9994 - 887 SYS 296 TIP3 H1 A 0.417000 1.0079 - 888 SYS 296 TIP3 H2 A 0.417000 1.0079 - 889 SYS 297 TIP3 O1 C -0.834000 15.9994 - 890 SYS 297 TIP3 H1 A 0.417000 1.0079 - 891 SYS 297 TIP3 H2 A 0.417000 1.0079 - 892 SYS 298 TIP3 O1 C -0.834000 15.9994 - 893 SYS 298 TIP3 H1 A 0.417000 1.0079 - 894 SYS 298 TIP3 H2 A 0.417000 1.0079 - 895 SYS 299 TIP3 O1 C -0.834000 15.9994 - 896 SYS 299 TIP3 H1 A 0.417000 1.0079 - 897 SYS 299 TIP3 H2 A 0.417000 1.0079 - 898 SYS 300 TIP3 O1 C -0.834000 15.9994 - 899 SYS 300 TIP3 H1 A 0.417000 1.0079 - 900 SYS 300 TIP3 H2 A 0.417000 1.0079 - 901 SYS 301 TIP3 O1 C -0.834000 15.9994 - 902 SYS 301 TIP3 H1 A 0.417000 1.0079 - 903 SYS 301 TIP3 H2 A 0.417000 1.0079 - 904 SYS 302 TIP3 O1 C -0.834000 15.9994 - 905 SYS 302 TIP3 H1 A 0.417000 1.0079 - 906 SYS 302 TIP3 H2 A 0.417000 1.0079 - 907 SYS 303 TIP3 O1 C -0.834000 15.9994 - 908 SYS 303 TIP3 H1 A 0.417000 1.0079 - 909 SYS 303 TIP3 H2 A 0.417000 1.0079 - 910 SYS 304 TIP3 O1 C -0.834000 15.9994 - 911 SYS 304 TIP3 H1 A 0.417000 1.0079 - 912 SYS 304 TIP3 H2 A 0.417000 1.0079 - 913 SYS 305 TIP3 O1 C -0.834000 15.9994 - 914 SYS 305 TIP3 H1 A 0.417000 1.0079 - 915 SYS 305 TIP3 H2 A 0.417000 1.0079 - 916 SYS 306 TIP3 O1 C -0.834000 15.9994 - 917 SYS 306 TIP3 H1 A 0.417000 1.0079 - 918 SYS 306 TIP3 H2 A 0.417000 1.0079 - 919 SYS 307 TIP3 O1 C -0.834000 15.9994 - 920 SYS 307 TIP3 H1 A 0.417000 1.0079 - 921 SYS 307 TIP3 H2 A 0.417000 1.0079 - 922 SYS 308 TIP3 O1 C -0.834000 15.9994 - 923 SYS 308 TIP3 H1 A 0.417000 1.0079 - 924 SYS 308 TIP3 H2 A 0.417000 1.0079 - 925 SYS 309 TIP3 O1 C -0.834000 15.9994 - 926 SYS 309 TIP3 H1 A 0.417000 1.0079 - 927 SYS 309 TIP3 H2 A 0.417000 1.0079 - 928 SYS 310 TIP3 O1 C -0.834000 15.9994 - 929 SYS 310 TIP3 H1 A 0.417000 1.0079 - 930 SYS 310 TIP3 H2 A 0.417000 1.0079 - 931 SYS 311 TIP3 O1 C -0.834000 15.9994 - 932 SYS 311 TIP3 H1 A 0.417000 1.0079 - 933 SYS 311 TIP3 H2 A 0.417000 1.0079 - 934 SYS 312 TIP3 O1 C -0.834000 15.9994 - 935 SYS 312 TIP3 H1 A 0.417000 1.0079 - 936 SYS 312 TIP3 H2 A 0.417000 1.0079 - 937 SYS 313 TIP3 O1 C -0.834000 15.9994 - 938 SYS 313 TIP3 H1 A 0.417000 1.0079 - 939 SYS 313 TIP3 H2 A 0.417000 1.0079 - 940 SYS 314 TIP3 O1 C -0.834000 15.9994 - 941 SYS 314 TIP3 H1 A 0.417000 1.0079 - 942 SYS 314 TIP3 H2 A 0.417000 1.0079 - 943 SYS 315 TIP3 O1 C -0.834000 15.9994 - 944 SYS 315 TIP3 H1 A 0.417000 1.0079 - 945 SYS 315 TIP3 H2 A 0.417000 1.0079 - 946 SYS 316 TIP3 O1 C -0.834000 15.9994 - 947 SYS 316 TIP3 H1 A 0.417000 1.0079 - 948 SYS 316 TIP3 H2 A 0.417000 1.0079 - 949 SYS 317 TIP3 O1 C -0.834000 15.9994 - 950 SYS 317 TIP3 H1 A 0.417000 1.0079 - 951 SYS 317 TIP3 H2 A 0.417000 1.0079 - 952 SYS 318 TIP3 O1 C -0.834000 15.9994 - 953 SYS 318 TIP3 H1 A 0.417000 1.0079 - 954 SYS 318 TIP3 H2 A 0.417000 1.0079 - 955 SYS 319 TIP3 O1 C -0.834000 15.9994 - 956 SYS 319 TIP3 H1 A 0.417000 1.0079 - 957 SYS 319 TIP3 H2 A 0.417000 1.0079 - 958 SYS 320 TIP3 O1 C -0.834000 15.9994 - 959 SYS 320 TIP3 H1 A 0.417000 1.0079 - 960 SYS 320 TIP3 H2 A 0.417000 1.0079 - 961 SYS 321 TIP3 O1 C -0.834000 15.9994 - 962 SYS 321 TIP3 H1 A 0.417000 1.0079 - 963 SYS 321 TIP3 H2 A 0.417000 1.0079 - 964 SYS 322 TIP3 O1 C -0.834000 15.9994 - 965 SYS 322 TIP3 H1 A 0.417000 1.0079 - 966 SYS 322 TIP3 H2 A 0.417000 1.0079 - 967 SYS 323 TIP3 O1 C -0.834000 15.9994 - 968 SYS 323 TIP3 H1 A 0.417000 1.0079 - 969 SYS 323 TIP3 H2 A 0.417000 1.0079 - 970 SYS 324 TIP3 O1 C -0.834000 15.9994 - 971 SYS 324 TIP3 H1 A 0.417000 1.0079 - 972 SYS 324 TIP3 H2 A 0.417000 1.0079 - 973 SYS 325 TIP3 O1 C -0.834000 15.9994 - 974 SYS 325 TIP3 H1 A 0.417000 1.0079 - 975 SYS 325 TIP3 H2 A 0.417000 1.0079 - 976 SYS 326 TIP3 O1 C -0.834000 15.9994 - 977 SYS 326 TIP3 H1 A 0.417000 1.0079 - 978 SYS 326 TIP3 H2 A 0.417000 1.0079 - 979 SYS 327 TIP3 O1 C -0.834000 15.9994 - 980 SYS 327 TIP3 H1 A 0.417000 1.0079 - 981 SYS 327 TIP3 H2 A 0.417000 1.0079 - 982 SYS 328 TIP3 O1 C -0.834000 15.9994 - 983 SYS 328 TIP3 H1 A 0.417000 1.0079 - 984 SYS 328 TIP3 H2 A 0.417000 1.0079 - 985 SYS 329 TIP3 O1 C -0.834000 15.9994 - 986 SYS 329 TIP3 H1 A 0.417000 1.0079 - 987 SYS 329 TIP3 H2 A 0.417000 1.0079 - 988 SYS 330 TIP3 O1 C -0.834000 15.9994 - 989 SYS 330 TIP3 H1 A 0.417000 1.0079 - 990 SYS 330 TIP3 H2 A 0.417000 1.0079 - 991 SYS 331 TIP3 O1 C -0.834000 15.9994 - 992 SYS 331 TIP3 H1 A 0.417000 1.0079 - 993 SYS 331 TIP3 H2 A 0.417000 1.0079 - 994 SYS 332 TIP3 O1 C -0.834000 15.9994 - 995 SYS 332 TIP3 H1 A 0.417000 1.0079 - 996 SYS 332 TIP3 H2 A 0.417000 1.0079 - 997 SYS 333 TIP3 O1 C -0.834000 15.9994 - 998 SYS 333 TIP3 H1 A 0.417000 1.0079 - 999 SYS 333 TIP3 H2 A 0.417000 1.0079 - 1000 SYS 334 TIP3 O1 C -0.834000 15.9994 - 1001 SYS 334 TIP3 H1 A 0.417000 1.0079 - 1002 SYS 334 TIP3 H2 A 0.417000 1.0079 - 1003 SYS 335 TIP3 O1 C -0.834000 15.9994 - 1004 SYS 335 TIP3 H1 A 0.417000 1.0079 - 1005 SYS 335 TIP3 H2 A 0.417000 1.0079 - 1006 SYS 336 TIP3 O1 C -0.834000 15.9994 - 1007 SYS 336 TIP3 H1 A 0.417000 1.0079 - 1008 SYS 336 TIP3 H2 A 0.417000 1.0079 - 1009 SYS 337 TIP3 O1 C -0.834000 15.9994 - 1010 SYS 337 TIP3 H1 A 0.417000 1.0079 - 1011 SYS 337 TIP3 H2 A 0.417000 1.0079 - 1012 SYS 338 TIP3 O1 C -0.834000 15.9994 - 1013 SYS 338 TIP3 H1 A 0.417000 1.0079 - 1014 SYS 338 TIP3 H2 A 0.417000 1.0079 - 1015 SYS 339 TIP3 O1 C -0.834000 15.9994 - 1016 SYS 339 TIP3 H1 A 0.417000 1.0079 - 1017 SYS 339 TIP3 H2 A 0.417000 1.0079 - 1018 SYS 340 TIP3 O1 C -0.834000 15.9994 - 1019 SYS 340 TIP3 H1 A 0.417000 1.0079 - 1020 SYS 340 TIP3 H2 A 0.417000 1.0079 - 1021 SYS 341 TIP3 O1 C -0.834000 15.9994 - 1022 SYS 341 TIP3 H1 A 0.417000 1.0079 - 1023 SYS 341 TIP3 H2 A 0.417000 1.0079 - 1024 SYS 342 TIP3 O1 C -0.834000 15.9994 - 1025 SYS 342 TIP3 H1 A 0.417000 1.0079 - 1026 SYS 342 TIP3 H2 A 0.417000 1.0079 - 1027 SYS 343 TIP3 O1 C -0.834000 15.9994 - 1028 SYS 343 TIP3 H1 A 0.417000 1.0079 - 1029 SYS 343 TIP3 H2 A 0.417000 1.0079 - 1030 SYS 344 TIP3 O1 C -0.834000 15.9994 - 1031 SYS 344 TIP3 H1 A 0.417000 1.0079 - 1032 SYS 344 TIP3 H2 A 0.417000 1.0079 - 1033 SYS 345 TIP3 O1 C -0.834000 15.9994 - 1034 SYS 345 TIP3 H1 A 0.417000 1.0079 - 1035 SYS 345 TIP3 H2 A 0.417000 1.0079 - 1036 SYS 346 TIP3 O1 C -0.834000 15.9994 - 1037 SYS 346 TIP3 H1 A 0.417000 1.0079 - 1038 SYS 346 TIP3 H2 A 0.417000 1.0079 - 1039 SYS 347 TIP3 O1 C -0.834000 15.9994 - 1040 SYS 347 TIP3 H1 A 0.417000 1.0079 - 1041 SYS 347 TIP3 H2 A 0.417000 1.0079 - 1042 SYS 348 TIP3 O1 C -0.834000 15.9994 - 1043 SYS 348 TIP3 H1 A 0.417000 1.0079 - 1044 SYS 348 TIP3 H2 A 0.417000 1.0079 - 1045 SYS 349 TIP3 O1 C -0.834000 15.9994 - 1046 SYS 349 TIP3 H1 A 0.417000 1.0079 - 1047 SYS 349 TIP3 H2 A 0.417000 1.0079 - 1048 SYS 350 TIP3 O1 C -0.834000 15.9994 - 1049 SYS 350 TIP3 H1 A 0.417000 1.0079 - 1050 SYS 350 TIP3 H2 A 0.417000 1.0079 - 1051 SYS 351 TIP3 O1 C -0.834000 15.9994 - 1052 SYS 351 TIP3 H1 A 0.417000 1.0079 - 1053 SYS 351 TIP3 H2 A 0.417000 1.0079 - 1054 SYS 352 TIP3 O1 C -0.834000 15.9994 - 1055 SYS 352 TIP3 H1 A 0.417000 1.0079 - 1056 SYS 352 TIP3 H2 A 0.417000 1.0079 - 1057 SYS 353 TIP3 O1 C -0.834000 15.9994 - 1058 SYS 353 TIP3 H1 A 0.417000 1.0079 - 1059 SYS 353 TIP3 H2 A 0.417000 1.0079 - 1060 SYS 354 TIP3 O1 C -0.834000 15.9994 - 1061 SYS 354 TIP3 H1 A 0.417000 1.0079 - 1062 SYS 354 TIP3 H2 A 0.417000 1.0079 - 1063 SYS 355 TIP3 O1 C -0.834000 15.9994 - 1064 SYS 355 TIP3 H1 A 0.417000 1.0079 - 1065 SYS 355 TIP3 H2 A 0.417000 1.0079 - 1066 SYS 356 TIP3 O1 C -0.834000 15.9994 - 1067 SYS 356 TIP3 H1 A 0.417000 1.0079 - 1068 SYS 356 TIP3 H2 A 0.417000 1.0079 - 1069 SYS 357 TIP3 O1 C -0.834000 15.9994 - 1070 SYS 357 TIP3 H1 A 0.417000 1.0079 - 1071 SYS 357 TIP3 H2 A 0.417000 1.0079 - 1072 SYS 358 TIP3 O1 C -0.834000 15.9994 - 1073 SYS 358 TIP3 H1 A 0.417000 1.0079 - 1074 SYS 358 TIP3 H2 A 0.417000 1.0079 - 1075 SYS 359 TIP3 O1 C -0.834000 15.9994 - 1076 SYS 359 TIP3 H1 A 0.417000 1.0079 - 1077 SYS 359 TIP3 H2 A 0.417000 1.0079 - 1078 SYS 360 TIP3 O1 C -0.834000 15.9994 - 1079 SYS 360 TIP3 H1 A 0.417000 1.0079 - 1080 SYS 360 TIP3 H2 A 0.417000 1.0079 - 1081 SYS 361 TIP3 O1 C -0.834000 15.9994 - 1082 SYS 361 TIP3 H1 A 0.417000 1.0079 - 1083 SYS 361 TIP3 H2 A 0.417000 1.0079 - 1084 SYS 362 TIP3 O1 C -0.834000 15.9994 - 1085 SYS 362 TIP3 H1 A 0.417000 1.0079 - 1086 SYS 362 TIP3 H2 A 0.417000 1.0079 - 1087 SYS 363 TIP3 O1 C -0.834000 15.9994 - 1088 SYS 363 TIP3 H1 A 0.417000 1.0079 - 1089 SYS 363 TIP3 H2 A 0.417000 1.0079 - 1090 SYS 364 TIP3 O1 C -0.834000 15.9994 - 1091 SYS 364 TIP3 H1 A 0.417000 1.0079 - 1092 SYS 364 TIP3 H2 A 0.417000 1.0079 - 1093 SYS 365 TIP3 O1 C -0.834000 15.9994 - 1094 SYS 365 TIP3 H1 A 0.417000 1.0079 - 1095 SYS 365 TIP3 H2 A 0.417000 1.0079 - 1096 SYS 366 TIP3 O1 C -0.834000 15.9994 - 1097 SYS 366 TIP3 H1 A 0.417000 1.0079 - 1098 SYS 366 TIP3 H2 A 0.417000 1.0079 - 1099 SYS 367 TIP3 O1 C -0.834000 15.9994 - 1100 SYS 367 TIP3 H1 A 0.417000 1.0079 - 1101 SYS 367 TIP3 H2 A 0.417000 1.0079 - 1102 SYS 368 TIP3 O1 C -0.834000 15.9994 - 1103 SYS 368 TIP3 H1 A 0.417000 1.0079 - 1104 SYS 368 TIP3 H2 A 0.417000 1.0079 - 1105 SYS 369 TIP3 O1 C -0.834000 15.9994 - 1106 SYS 369 TIP3 H1 A 0.417000 1.0079 - 1107 SYS 369 TIP3 H2 A 0.417000 1.0079 - 1108 SYS 370 TIP3 O1 C -0.834000 15.9994 - 1109 SYS 370 TIP3 H1 A 0.417000 1.0079 - 1110 SYS 370 TIP3 H2 A 0.417000 1.0079 - 1111 SYS 371 TIP3 O1 C -0.834000 15.9994 - 1112 SYS 371 TIP3 H1 A 0.417000 1.0079 - 1113 SYS 371 TIP3 H2 A 0.417000 1.0079 - 1114 SYS 372 TIP3 O1 C -0.834000 15.9994 - 1115 SYS 372 TIP3 H1 A 0.417000 1.0079 - 1116 SYS 372 TIP3 H2 A 0.417000 1.0079 - 1117 SYS 373 TIP3 O1 C -0.834000 15.9994 - 1118 SYS 373 TIP3 H1 A 0.417000 1.0079 - 1119 SYS 373 TIP3 H2 A 0.417000 1.0079 - 1120 SYS 374 TIP3 O1 C -0.834000 15.9994 - 1121 SYS 374 TIP3 H1 A 0.417000 1.0079 - 1122 SYS 374 TIP3 H2 A 0.417000 1.0079 - 1123 SYS 375 TIP3 O1 C -0.834000 15.9994 - 1124 SYS 375 TIP3 H1 A 0.417000 1.0079 - 1125 SYS 375 TIP3 H2 A 0.417000 1.0079 - 1126 SYS 376 TIP3 O1 C -0.834000 15.9994 - 1127 SYS 376 TIP3 H1 A 0.417000 1.0079 - 1128 SYS 376 TIP3 H2 A 0.417000 1.0079 - 1129 SYS 377 TIP3 O1 C -0.834000 15.9994 - 1130 SYS 377 TIP3 H1 A 0.417000 1.0079 - 1131 SYS 377 TIP3 H2 A 0.417000 1.0079 - 1132 SYS 378 TIP3 O1 C -0.834000 15.9994 - 1133 SYS 378 TIP3 H1 A 0.417000 1.0079 - 1134 SYS 378 TIP3 H2 A 0.417000 1.0079 - 1135 SYS 379 TIP3 O1 C -0.834000 15.9994 - 1136 SYS 379 TIP3 H1 A 0.417000 1.0079 - 1137 SYS 379 TIP3 H2 A 0.417000 1.0079 - 1138 SYS 380 TIP3 O1 C -0.834000 15.9994 - 1139 SYS 380 TIP3 H1 A 0.417000 1.0079 - 1140 SYS 380 TIP3 H2 A 0.417000 1.0079 - 1141 SYS 381 TIP3 O1 C -0.834000 15.9994 - 1142 SYS 381 TIP3 H1 A 0.417000 1.0079 - 1143 SYS 381 TIP3 H2 A 0.417000 1.0079 - 1144 SYS 382 TIP3 O1 C -0.834000 15.9994 - 1145 SYS 382 TIP3 H1 A 0.417000 1.0079 - 1146 SYS 382 TIP3 H2 A 0.417000 1.0079 - 1147 SYS 383 TIP3 O1 C -0.834000 15.9994 - 1148 SYS 383 TIP3 H1 A 0.417000 1.0079 - 1149 SYS 383 TIP3 H2 A 0.417000 1.0079 - 1150 SYS 384 TIP3 O1 C -0.834000 15.9994 - 1151 SYS 384 TIP3 H1 A 0.417000 1.0079 - 1152 SYS 384 TIP3 H2 A 0.417000 1.0079 - 1153 SYS 385 TIP3 O1 C -0.834000 15.9994 - 1154 SYS 385 TIP3 H1 A 0.417000 1.0079 - 1155 SYS 385 TIP3 H2 A 0.417000 1.0079 - 1156 SYS 386 TIP3 O1 C -0.834000 15.9994 - 1157 SYS 386 TIP3 H1 A 0.417000 1.0079 - 1158 SYS 386 TIP3 H2 A 0.417000 1.0079 - 1159 SYS 387 TIP3 O1 C -0.834000 15.9994 - 1160 SYS 387 TIP3 H1 A 0.417000 1.0079 - 1161 SYS 387 TIP3 H2 A 0.417000 1.0079 - 1162 SYS 388 TIP3 O1 C -0.834000 15.9994 - 1163 SYS 388 TIP3 H1 A 0.417000 1.0079 - 1164 SYS 388 TIP3 H2 A 0.417000 1.0079 - 1165 SYS 389 TIP3 O1 C -0.834000 15.9994 - 1166 SYS 389 TIP3 H1 A 0.417000 1.0079 - 1167 SYS 389 TIP3 H2 A 0.417000 1.0079 - 1168 SYS 390 TIP3 O1 C -0.834000 15.9994 - 1169 SYS 390 TIP3 H1 A 0.417000 1.0079 - 1170 SYS 390 TIP3 H2 A 0.417000 1.0079 - 1171 SYS 391 TIP3 O1 C -0.834000 15.9994 - 1172 SYS 391 TIP3 H1 A 0.417000 1.0079 - 1173 SYS 391 TIP3 H2 A 0.417000 1.0079 - 1174 SYS 392 TIP3 O1 C -0.834000 15.9994 - 1175 SYS 392 TIP3 H1 A 0.417000 1.0079 - 1176 SYS 392 TIP3 H2 A 0.417000 1.0079 - 1177 SYS 393 TIP3 O1 C -0.834000 15.9994 - 1178 SYS 393 TIP3 H1 A 0.417000 1.0079 - 1179 SYS 393 TIP3 H2 A 0.417000 1.0079 - 1180 SYS 394 TIP3 O1 C -0.834000 15.9994 - 1181 SYS 394 TIP3 H1 A 0.417000 1.0079 - 1182 SYS 394 TIP3 H2 A 0.417000 1.0079 - 1183 SYS 395 TIP3 O1 C -0.834000 15.9994 - 1184 SYS 395 TIP3 H1 A 0.417000 1.0079 - 1185 SYS 395 TIP3 H2 A 0.417000 1.0079 - 1186 SYS 396 TIP3 O1 C -0.834000 15.9994 - 1187 SYS 396 TIP3 H1 A 0.417000 1.0079 - 1188 SYS 396 TIP3 H2 A 0.417000 1.0079 - 1189 SYS 397 TIP3 O1 C -0.834000 15.9994 - 1190 SYS 397 TIP3 H1 A 0.417000 1.0079 - 1191 SYS 397 TIP3 H2 A 0.417000 1.0079 - 1192 SYS 398 TIP3 O1 C -0.834000 15.9994 - 1193 SYS 398 TIP3 H1 A 0.417000 1.0079 - 1194 SYS 398 TIP3 H2 A 0.417000 1.0079 - 1195 SYS 399 TIP3 O1 C -0.834000 15.9994 - 1196 SYS 399 TIP3 H1 A 0.417000 1.0079 - 1197 SYS 399 TIP3 H2 A 0.417000 1.0079 - 1198 SYS 400 TIP3 O1 C -0.834000 15.9994 - 1199 SYS 400 TIP3 H1 A 0.417000 1.0079 - 1200 SYS 400 TIP3 H2 A 0.417000 1.0079 - 1201 SYS 401 TIP3 O1 C -0.834000 15.9994 - 1202 SYS 401 TIP3 H1 A 0.417000 1.0079 - 1203 SYS 401 TIP3 H2 A 0.417000 1.0079 - 1204 SYS 402 TIP3 O1 C -0.834000 15.9994 - 1205 SYS 402 TIP3 H1 A 0.417000 1.0079 - 1206 SYS 402 TIP3 H2 A 0.417000 1.0079 - 1207 SYS 403 TIP3 O1 C -0.834000 15.9994 - 1208 SYS 403 TIP3 H1 A 0.417000 1.0079 - 1209 SYS 403 TIP3 H2 A 0.417000 1.0079 - 1210 SYS 404 TIP3 O1 C -0.834000 15.9994 - 1211 SYS 404 TIP3 H1 A 0.417000 1.0079 - 1212 SYS 404 TIP3 H2 A 0.417000 1.0079 - 1213 SYS 405 TIP3 O1 C -0.834000 15.9994 - 1214 SYS 405 TIP3 H1 A 0.417000 1.0079 - 1215 SYS 405 TIP3 H2 A 0.417000 1.0079 - 1216 SYS 406 TIP3 O1 C -0.834000 15.9994 - 1217 SYS 406 TIP3 H1 A 0.417000 1.0079 - 1218 SYS 406 TIP3 H2 A 0.417000 1.0079 - 1219 SYS 407 TIP3 O1 C -0.834000 15.9994 - 1220 SYS 407 TIP3 H1 A 0.417000 1.0079 - 1221 SYS 407 TIP3 H2 A 0.417000 1.0079 - 1222 SYS 408 TIP3 O1 C -0.834000 15.9994 - 1223 SYS 408 TIP3 H1 A 0.417000 1.0079 - 1224 SYS 408 TIP3 H2 A 0.417000 1.0079 - 1225 SYS 409 TIP3 O1 C -0.834000 15.9994 - 1226 SYS 409 TIP3 H1 A 0.417000 1.0079 - 1227 SYS 409 TIP3 H2 A 0.417000 1.0079 - 1228 SYS 410 TIP3 O1 C -0.834000 15.9994 - 1229 SYS 410 TIP3 H1 A 0.417000 1.0079 - 1230 SYS 410 TIP3 H2 A 0.417000 1.0079 - 1231 SYS 411 TIP3 O1 C -0.834000 15.9994 - 1232 SYS 411 TIP3 H1 A 0.417000 1.0079 - 1233 SYS 411 TIP3 H2 A 0.417000 1.0079 - 1234 SYS 412 TIP3 O1 C -0.834000 15.9994 - 1235 SYS 412 TIP3 H1 A 0.417000 1.0079 - 1236 SYS 412 TIP3 H2 A 0.417000 1.0079 - 1237 SYS 413 TIP3 O1 C -0.834000 15.9994 - 1238 SYS 413 TIP3 H1 A 0.417000 1.0079 - 1239 SYS 413 TIP3 H2 A 0.417000 1.0079 - 1240 SYS 414 TIP3 O1 C -0.834000 15.9994 - 1241 SYS 414 TIP3 H1 A 0.417000 1.0079 - 1242 SYS 414 TIP3 H2 A 0.417000 1.0079 - 1243 SYS 415 TIP3 O1 C -0.834000 15.9994 - 1244 SYS 415 TIP3 H1 A 0.417000 1.0079 - 1245 SYS 415 TIP3 H2 A 0.417000 1.0079 - 1246 SYS 416 TIP3 O1 C -0.834000 15.9994 - 1247 SYS 416 TIP3 H1 A 0.417000 1.0079 - 1248 SYS 416 TIP3 H2 A 0.417000 1.0079 - 1249 SYS 417 TIP3 O1 C -0.834000 15.9994 - 1250 SYS 417 TIP3 H1 A 0.417000 1.0079 - 1251 SYS 417 TIP3 H2 A 0.417000 1.0079 - 1252 SYS 418 TIP3 O1 C -0.834000 15.9994 - 1253 SYS 418 TIP3 H1 A 0.417000 1.0079 - 1254 SYS 418 TIP3 H2 A 0.417000 1.0079 - 1255 SYS 419 TIP3 O1 C -0.834000 15.9994 - 1256 SYS 419 TIP3 H1 A 0.417000 1.0079 - 1257 SYS 419 TIP3 H2 A 0.417000 1.0079 - 1258 SYS 420 TIP3 O1 C -0.834000 15.9994 - 1259 SYS 420 TIP3 H1 A 0.417000 1.0079 - 1260 SYS 420 TIP3 H2 A 0.417000 1.0079 - 1261 SYS 421 TIP3 O1 C -0.834000 15.9994 - 1262 SYS 421 TIP3 H1 A 0.417000 1.0079 - 1263 SYS 421 TIP3 H2 A 0.417000 1.0079 - 1264 SYS 422 TIP3 O1 C -0.834000 15.9994 - 1265 SYS 422 TIP3 H1 A 0.417000 1.0079 - 1266 SYS 422 TIP3 H2 A 0.417000 1.0079 - 1267 SYS 423 TIP3 O1 C -0.834000 15.9994 - 1268 SYS 423 TIP3 H1 A 0.417000 1.0079 - 1269 SYS 423 TIP3 H2 A 0.417000 1.0079 - 1270 SYS 424 TIP3 O1 C -0.834000 15.9994 - 1271 SYS 424 TIP3 H1 A 0.417000 1.0079 - 1272 SYS 424 TIP3 H2 A 0.417000 1.0079 - 1273 SYS 425 TIP3 O1 C -0.834000 15.9994 - 1274 SYS 425 TIP3 H1 A 0.417000 1.0079 - 1275 SYS 425 TIP3 H2 A 0.417000 1.0079 - 1276 SYS 426 TIP3 O1 C -0.834000 15.9994 - 1277 SYS 426 TIP3 H1 A 0.417000 1.0079 - 1278 SYS 426 TIP3 H2 A 0.417000 1.0079 - 1279 SYS 427 TIP3 O1 C -0.834000 15.9994 - 1280 SYS 427 TIP3 H1 A 0.417000 1.0079 - 1281 SYS 427 TIP3 H2 A 0.417000 1.0079 - 1282 SYS 428 TIP3 O1 C -0.834000 15.9994 - 1283 SYS 428 TIP3 H1 A 0.417000 1.0079 - 1284 SYS 428 TIP3 H2 A 0.417000 1.0079 - 1285 SYS 429 TIP3 O1 C -0.834000 15.9994 - 1286 SYS 429 TIP3 H1 A 0.417000 1.0079 - 1287 SYS 429 TIP3 H2 A 0.417000 1.0079 - 1288 SYS 430 TIP3 O1 C -0.834000 15.9994 - 1289 SYS 430 TIP3 H1 A 0.417000 1.0079 - 1290 SYS 430 TIP3 H2 A 0.417000 1.0079 - 1291 SYS 431 TIP3 O1 C -0.834000 15.9994 - 1292 SYS 431 TIP3 H1 A 0.417000 1.0079 - 1293 SYS 431 TIP3 H2 A 0.417000 1.0079 - 1294 SYS 432 TIP3 O1 C -0.834000 15.9994 - 1295 SYS 432 TIP3 H1 A 0.417000 1.0079 - 1296 SYS 432 TIP3 H2 A 0.417000 1.0079 - 1297 SYS 433 TIP3 O1 C -0.834000 15.9994 - 1298 SYS 433 TIP3 H1 A 0.417000 1.0079 - 1299 SYS 433 TIP3 H2 A 0.417000 1.0079 - 1300 SYS 434 TIP3 O1 C -0.834000 15.9994 - 1301 SYS 434 TIP3 H1 A 0.417000 1.0079 - 1302 SYS 434 TIP3 H2 A 0.417000 1.0079 - 1303 SYS 435 TIP3 O1 C -0.834000 15.9994 - 1304 SYS 435 TIP3 H1 A 0.417000 1.0079 - 1305 SYS 435 TIP3 H2 A 0.417000 1.0079 - 1306 SYS 436 TIP3 O1 C -0.834000 15.9994 - 1307 SYS 436 TIP3 H1 A 0.417000 1.0079 - 1308 SYS 436 TIP3 H2 A 0.417000 1.0079 - 1309 SYS 437 TIP3 O1 C -0.834000 15.9994 - 1310 SYS 437 TIP3 H1 A 0.417000 1.0079 - 1311 SYS 437 TIP3 H2 A 0.417000 1.0079 - 1312 SYS 438 TIP3 O1 C -0.834000 15.9994 - 1313 SYS 438 TIP3 H1 A 0.417000 1.0079 - 1314 SYS 438 TIP3 H2 A 0.417000 1.0079 - 1315 SYS 439 TIP3 O1 C -0.834000 15.9994 - 1316 SYS 439 TIP3 H1 A 0.417000 1.0079 - 1317 SYS 439 TIP3 H2 A 0.417000 1.0079 - 1318 SYS 440 TIP3 O1 C -0.834000 15.9994 - 1319 SYS 440 TIP3 H1 A 0.417000 1.0079 - 1320 SYS 440 TIP3 H2 A 0.417000 1.0079 - 1321 SYS 441 TIP3 O1 C -0.834000 15.9994 - 1322 SYS 441 TIP3 H1 A 0.417000 1.0079 - 1323 SYS 441 TIP3 H2 A 0.417000 1.0079 - 1324 SYS 442 TIP3 O1 C -0.834000 15.9994 - 1325 SYS 442 TIP3 H1 A 0.417000 1.0079 - 1326 SYS 442 TIP3 H2 A 0.417000 1.0079 - 1327 SYS 443 TIP3 O1 C -0.834000 15.9994 - 1328 SYS 443 TIP3 H1 A 0.417000 1.0079 - 1329 SYS 443 TIP3 H2 A 0.417000 1.0079 - 1330 SYS 444 TIP3 O1 C -0.834000 15.9994 - 1331 SYS 444 TIP3 H1 A 0.417000 1.0079 - 1332 SYS 444 TIP3 H2 A 0.417000 1.0079 - 1333 SYS 445 TIP3 O1 C -0.834000 15.9994 - 1334 SYS 445 TIP3 H1 A 0.417000 1.0079 - 1335 SYS 445 TIP3 H2 A 0.417000 1.0079 - 1336 SYS 446 TIP3 O1 C -0.834000 15.9994 - 1337 SYS 446 TIP3 H1 A 0.417000 1.0079 - 1338 SYS 446 TIP3 H2 A 0.417000 1.0079 - 1339 SYS 447 TIP3 O1 C -0.834000 15.9994 - 1340 SYS 447 TIP3 H1 A 0.417000 1.0079 - 1341 SYS 447 TIP3 H2 A 0.417000 1.0079 - 1342 SYS 448 TIP3 O1 C -0.834000 15.9994 - 1343 SYS 448 TIP3 H1 A 0.417000 1.0079 - 1344 SYS 448 TIP3 H2 A 0.417000 1.0079 - 1345 SYS 449 TIP3 O1 C -0.834000 15.9994 - 1346 SYS 449 TIP3 H1 A 0.417000 1.0079 - 1347 SYS 449 TIP3 H2 A 0.417000 1.0079 - 1348 SYS 450 TIP3 O1 C -0.834000 15.9994 - 1349 SYS 450 TIP3 H1 A 0.417000 1.0079 - 1350 SYS 450 TIP3 H2 A 0.417000 1.0079 - 1351 SYS 451 TIP3 O1 C -0.834000 15.9994 - 1352 SYS 451 TIP3 H1 A 0.417000 1.0079 - 1353 SYS 451 TIP3 H2 A 0.417000 1.0079 - 1354 SYS 452 TIP3 O1 C -0.834000 15.9994 - 1355 SYS 452 TIP3 H1 A 0.417000 1.0079 - 1356 SYS 452 TIP3 H2 A 0.417000 1.0079 - 1357 SYS 453 TIP3 O1 C -0.834000 15.9994 - 1358 SYS 453 TIP3 H1 A 0.417000 1.0079 - 1359 SYS 453 TIP3 H2 A 0.417000 1.0079 - 1360 SYS 454 TIP3 O1 C -0.834000 15.9994 - 1361 SYS 454 TIP3 H1 A 0.417000 1.0079 - 1362 SYS 454 TIP3 H2 A 0.417000 1.0079 - 1363 SYS 455 TIP3 O1 C -0.834000 15.9994 - 1364 SYS 455 TIP3 H1 A 0.417000 1.0079 - 1365 SYS 455 TIP3 H2 A 0.417000 1.0079 - 1366 SYS 456 TIP3 O1 C -0.834000 15.9994 - 1367 SYS 456 TIP3 H1 A 0.417000 1.0079 - 1368 SYS 456 TIP3 H2 A 0.417000 1.0079 - 1369 SYS 457 TIP3 O1 C -0.834000 15.9994 - 1370 SYS 457 TIP3 H1 A 0.417000 1.0079 - 1371 SYS 457 TIP3 H2 A 0.417000 1.0079 - 1372 SYS 458 TIP3 O1 C -0.834000 15.9994 - 1373 SYS 458 TIP3 H1 A 0.417000 1.0079 - 1374 SYS 458 TIP3 H2 A 0.417000 1.0079 - 1375 SYS 459 TIP3 O1 C -0.834000 15.9994 - 1376 SYS 459 TIP3 H1 A 0.417000 1.0079 - 1377 SYS 459 TIP3 H2 A 0.417000 1.0079 - 1378 SYS 460 TIP3 O1 C -0.834000 15.9994 - 1379 SYS 460 TIP3 H1 A 0.417000 1.0079 - 1380 SYS 460 TIP3 H2 A 0.417000 1.0079 - 1381 SYS 461 TIP3 O1 C -0.834000 15.9994 - 1382 SYS 461 TIP3 H1 A 0.417000 1.0079 - 1383 SYS 461 TIP3 H2 A 0.417000 1.0079 - 1384 SYS 462 TIP3 O1 C -0.834000 15.9994 - 1385 SYS 462 TIP3 H1 A 0.417000 1.0079 - 1386 SYS 462 TIP3 H2 A 0.417000 1.0079 - 1387 SYS 463 TIP3 O1 C -0.834000 15.9994 - 1388 SYS 463 TIP3 H1 A 0.417000 1.0079 - 1389 SYS 463 TIP3 H2 A 0.417000 1.0079 - 1390 SYS 464 TIP3 O1 C -0.834000 15.9994 - 1391 SYS 464 TIP3 H1 A 0.417000 1.0079 - 1392 SYS 464 TIP3 H2 A 0.417000 1.0079 - 1393 SYS 465 TIP3 O1 C -0.834000 15.9994 - 1394 SYS 465 TIP3 H1 A 0.417000 1.0079 - 1395 SYS 465 TIP3 H2 A 0.417000 1.0079 - 1396 SYS 466 TIP3 O1 C -0.834000 15.9994 - 1397 SYS 466 TIP3 H1 A 0.417000 1.0079 - 1398 SYS 466 TIP3 H2 A 0.417000 1.0079 - 1399 SYS 467 TIP3 O1 C -0.834000 15.9994 - 1400 SYS 467 TIP3 H1 A 0.417000 1.0079 - 1401 SYS 467 TIP3 H2 A 0.417000 1.0079 - 1402 SYS 468 TIP3 O1 C -0.834000 15.9994 - 1403 SYS 468 TIP3 H1 A 0.417000 1.0079 - 1404 SYS 468 TIP3 H2 A 0.417000 1.0079 - 1405 SYS 469 TIP3 O1 C -0.834000 15.9994 - 1406 SYS 469 TIP3 H1 A 0.417000 1.0079 - 1407 SYS 469 TIP3 H2 A 0.417000 1.0079 - 1408 SYS 470 TIP3 O1 C -0.834000 15.9994 - 1409 SYS 470 TIP3 H1 A 0.417000 1.0079 - 1410 SYS 470 TIP3 H2 A 0.417000 1.0079 - 1411 SYS 471 TIP3 O1 C -0.834000 15.9994 - 1412 SYS 471 TIP3 H1 A 0.417000 1.0079 - 1413 SYS 471 TIP3 H2 A 0.417000 1.0079 - 1414 SYS 472 TIP3 O1 C -0.834000 15.9994 - 1415 SYS 472 TIP3 H1 A 0.417000 1.0079 - 1416 SYS 472 TIP3 H2 A 0.417000 1.0079 - 1417 SYS 473 TIP3 O1 C -0.834000 15.9994 - 1418 SYS 473 TIP3 H1 A 0.417000 1.0079 - 1419 SYS 473 TIP3 H2 A 0.417000 1.0079 - 1420 SYS 474 TIP3 O1 C -0.834000 15.9994 - 1421 SYS 474 TIP3 H1 A 0.417000 1.0079 - 1422 SYS 474 TIP3 H2 A 0.417000 1.0079 - 1423 SYS 475 TIP3 O1 C -0.834000 15.9994 - 1424 SYS 475 TIP3 H1 A 0.417000 1.0079 - 1425 SYS 475 TIP3 H2 A 0.417000 1.0079 - 1426 SYS 476 TIP3 O1 C -0.834000 15.9994 - 1427 SYS 476 TIP3 H1 A 0.417000 1.0079 - 1428 SYS 476 TIP3 H2 A 0.417000 1.0079 - 1429 SYS 477 TIP3 O1 C -0.834000 15.9994 - 1430 SYS 477 TIP3 H1 A 0.417000 1.0079 - 1431 SYS 477 TIP3 H2 A 0.417000 1.0079 - 1432 SYS 478 TIP3 O1 C -0.834000 15.9994 - 1433 SYS 478 TIP3 H1 A 0.417000 1.0079 - 1434 SYS 478 TIP3 H2 A 0.417000 1.0079 - 1435 SYS 479 TIP3 O1 C -0.834000 15.9994 - 1436 SYS 479 TIP3 H1 A 0.417000 1.0079 - 1437 SYS 479 TIP3 H2 A 0.417000 1.0079 - 1438 SYS 480 TIP3 O1 C -0.834000 15.9994 - 1439 SYS 480 TIP3 H1 A 0.417000 1.0079 - 1440 SYS 480 TIP3 H2 A 0.417000 1.0079 - 1441 SYS 481 TIP3 O1 C -0.834000 15.9994 - 1442 SYS 481 TIP3 H1 A 0.417000 1.0079 - 1443 SYS 481 TIP3 H2 A 0.417000 1.0079 - 1444 SYS 482 TIP3 O1 C -0.834000 15.9994 - 1445 SYS 482 TIP3 H1 A 0.417000 1.0079 - 1446 SYS 482 TIP3 H2 A 0.417000 1.0079 - 1447 SYS 483 TIP3 O1 C -0.834000 15.9994 - 1448 SYS 483 TIP3 H1 A 0.417000 1.0079 - 1449 SYS 483 TIP3 H2 A 0.417000 1.0079 - 1450 SYS 484 TIP3 O1 C -0.834000 15.9994 - 1451 SYS 484 TIP3 H1 A 0.417000 1.0079 - 1452 SYS 484 TIP3 H2 A 0.417000 1.0079 - 1453 SYS 485 TIP3 O1 C -0.834000 15.9994 - 1454 SYS 485 TIP3 H1 A 0.417000 1.0079 - 1455 SYS 485 TIP3 H2 A 0.417000 1.0079 - 1456 SYS 486 TIP3 O1 C -0.834000 15.9994 - 1457 SYS 486 TIP3 H1 A 0.417000 1.0079 - 1458 SYS 486 TIP3 H2 A 0.417000 1.0079 - 1459 SYS 487 TIP3 O1 C -0.834000 15.9994 - 1460 SYS 487 TIP3 H1 A 0.417000 1.0079 - 1461 SYS 487 TIP3 H2 A 0.417000 1.0079 - 1462 SYS 488 TIP3 O1 C -0.834000 15.9994 - 1463 SYS 488 TIP3 H1 A 0.417000 1.0079 - 1464 SYS 488 TIP3 H2 A 0.417000 1.0079 - 1465 SYS 489 TIP3 O1 C -0.834000 15.9994 - 1466 SYS 489 TIP3 H1 A 0.417000 1.0079 - 1467 SYS 489 TIP3 H2 A 0.417000 1.0079 - 1468 SYS 490 TIP3 O1 C -0.834000 15.9994 - 1469 SYS 490 TIP3 H1 A 0.417000 1.0079 - 1470 SYS 490 TIP3 H2 A 0.417000 1.0079 - 1471 SYS 491 TIP3 O1 C -0.834000 15.9994 - 1472 SYS 491 TIP3 H1 A 0.417000 1.0079 - 1473 SYS 491 TIP3 H2 A 0.417000 1.0079 - 1474 SYS 492 TIP3 O1 C -0.834000 15.9994 - 1475 SYS 492 TIP3 H1 A 0.417000 1.0079 - 1476 SYS 492 TIP3 H2 A 0.417000 1.0079 - 1477 SYS 493 TIP3 O1 C -0.834000 15.9994 - 1478 SYS 493 TIP3 H1 A 0.417000 1.0079 - 1479 SYS 493 TIP3 H2 A 0.417000 1.0079 - 1480 SYS 494 TIP3 O1 C -0.834000 15.9994 - 1481 SYS 494 TIP3 H1 A 0.417000 1.0079 - 1482 SYS 494 TIP3 H2 A 0.417000 1.0079 - 1483 SYS 495 TIP3 O1 C -0.834000 15.9994 - 1484 SYS 495 TIP3 H1 A 0.417000 1.0079 - 1485 SYS 495 TIP3 H2 A 0.417000 1.0079 - 1486 SYS 496 TIP3 O1 C -0.834000 15.9994 - 1487 SYS 496 TIP3 H1 A 0.417000 1.0079 - 1488 SYS 496 TIP3 H2 A 0.417000 1.0079 - 1489 SYS 497 TIP3 O1 C -0.834000 15.9994 - 1490 SYS 497 TIP3 H1 A 0.417000 1.0079 - 1491 SYS 497 TIP3 H2 A 0.417000 1.0079 - 1492 SYS 498 TIP3 O1 C -0.834000 15.9994 - 1493 SYS 498 TIP3 H1 A 0.417000 1.0079 - 1494 SYS 498 TIP3 H2 A 0.417000 1.0079 - 1495 SYS 499 TIP3 O1 C -0.834000 15.9994 - 1496 SYS 499 TIP3 H1 A 0.417000 1.0079 - 1497 SYS 499 TIP3 H2 A 0.417000 1.0079 - 1498 SYS 500 TIP3 O1 C -0.834000 15.9994 - 1499 SYS 500 TIP3 H1 A 0.417000 1.0079 - 1500 SYS 500 TIP3 H2 A 0.417000 1.0079 - 1501 SYS 501 TIP3 O1 C -0.834000 15.9994 - 1502 SYS 501 TIP3 H1 A 0.417000 1.0079 - 1503 SYS 501 TIP3 H2 A 0.417000 1.0079 - 1504 SYS 502 TIP3 O1 C -0.834000 15.9994 - 1505 SYS 502 TIP3 H1 A 0.417000 1.0079 - 1506 SYS 502 TIP3 H2 A 0.417000 1.0079 - 1507 SYS 503 TIP3 O1 C -0.834000 15.9994 - 1508 SYS 503 TIP3 H1 A 0.417000 1.0079 - 1509 SYS 503 TIP3 H2 A 0.417000 1.0079 - 1510 SYS 504 TIP3 O1 C -0.834000 15.9994 - 1511 SYS 504 TIP3 H1 A 0.417000 1.0079 - 1512 SYS 504 TIP3 H2 A 0.417000 1.0079 - 1513 SYS 505 TIP3 O1 C -0.834000 15.9994 - 1514 SYS 505 TIP3 H1 A 0.417000 1.0079 - 1515 SYS 505 TIP3 H2 A 0.417000 1.0079 - 1516 SYS 506 TIP3 O1 C -0.834000 15.9994 - 1517 SYS 506 TIP3 H1 A 0.417000 1.0079 - 1518 SYS 506 TIP3 H2 A 0.417000 1.0079 - 1519 SYS 507 TIP3 O1 C -0.834000 15.9994 - 1520 SYS 507 TIP3 H1 A 0.417000 1.0079 - 1521 SYS 507 TIP3 H2 A 0.417000 1.0079 - 1522 SYS 508 TIP3 O1 C -0.834000 15.9994 - 1523 SYS 508 TIP3 H1 A 0.417000 1.0079 - 1524 SYS 508 TIP3 H2 A 0.417000 1.0079 - 1525 SYS 509 TIP3 O1 C -0.834000 15.9994 - 1526 SYS 509 TIP3 H1 A 0.417000 1.0079 - 1527 SYS 509 TIP3 H2 A 0.417000 1.0079 - 1528 SYS 510 TIP3 O1 C -0.834000 15.9994 - 1529 SYS 510 TIP3 H1 A 0.417000 1.0079 - 1530 SYS 510 TIP3 H2 A 0.417000 1.0079 - 1531 SYS 511 TIP3 O1 C -0.834000 15.9994 - 1532 SYS 511 TIP3 H1 A 0.417000 1.0079 - 1533 SYS 511 TIP3 H2 A 0.417000 1.0079 - 1534 SYS 512 TIP3 O1 C -0.834000 15.9994 - 1535 SYS 512 TIP3 H1 A 0.417000 1.0079 - 1536 SYS 512 TIP3 H2 A 0.417000 1.0079 - 1537 SYS 513 TIP3 O1 C -0.834000 15.9994 - 1538 SYS 513 TIP3 H1 A 0.417000 1.0079 - 1539 SYS 513 TIP3 H2 A 0.417000 1.0079 - 1540 SYS 514 TIP3 O1 C -0.834000 15.9994 - 1541 SYS 514 TIP3 H1 A 0.417000 1.0079 - 1542 SYS 514 TIP3 H2 A 0.417000 1.0079 - 1543 SYS 515 TIP3 O1 C -0.834000 15.9994 - 1544 SYS 515 TIP3 H1 A 0.417000 1.0079 - 1545 SYS 515 TIP3 H2 A 0.417000 1.0079 - 1546 SYS 516 TIP3 O1 C -0.834000 15.9994 - 1547 SYS 516 TIP3 H1 A 0.417000 1.0079 - 1548 SYS 516 TIP3 H2 A 0.417000 1.0079 - 1549 SYS 517 TIP3 O1 C -0.834000 15.9994 - 1550 SYS 517 TIP3 H1 A 0.417000 1.0079 - 1551 SYS 517 TIP3 H2 A 0.417000 1.0079 - 1552 SYS 518 TIP3 O1 C -0.834000 15.9994 - 1553 SYS 518 TIP3 H1 A 0.417000 1.0079 - 1554 SYS 518 TIP3 H2 A 0.417000 1.0079 - 1555 SYS 519 TIP3 O1 C -0.834000 15.9994 - 1556 SYS 519 TIP3 H1 A 0.417000 1.0079 - 1557 SYS 519 TIP3 H2 A 0.417000 1.0079 - 1558 SYS 520 TIP3 O1 C -0.834000 15.9994 - 1559 SYS 520 TIP3 H1 A 0.417000 1.0079 - 1560 SYS 520 TIP3 H2 A 0.417000 1.0079 - 1561 SYS 521 TIP3 O1 C -0.834000 15.9994 - 1562 SYS 521 TIP3 H1 A 0.417000 1.0079 - 1563 SYS 521 TIP3 H2 A 0.417000 1.0079 - 1564 SYS 522 TIP3 O1 C -0.834000 15.9994 - 1565 SYS 522 TIP3 H1 A 0.417000 1.0079 - 1566 SYS 522 TIP3 H2 A 0.417000 1.0079 - 1567 SYS 523 TIP3 O1 C -0.834000 15.9994 - 1568 SYS 523 TIP3 H1 A 0.417000 1.0079 - 1569 SYS 523 TIP3 H2 A 0.417000 1.0079 - 1570 SYS 524 TIP3 O1 C -0.834000 15.9994 - 1571 SYS 524 TIP3 H1 A 0.417000 1.0079 - 1572 SYS 524 TIP3 H2 A 0.417000 1.0079 - 1573 SYS 525 TIP3 O1 C -0.834000 15.9994 - 1574 SYS 525 TIP3 H1 A 0.417000 1.0079 - 1575 SYS 525 TIP3 H2 A 0.417000 1.0079 - 1576 SYS 526 TIP3 O1 C -0.834000 15.9994 - 1577 SYS 526 TIP3 H1 A 0.417000 1.0079 - 1578 SYS 526 TIP3 H2 A 0.417000 1.0079 - 1579 SYS 527 TIP3 O1 C -0.834000 15.9994 - 1580 SYS 527 TIP3 H1 A 0.417000 1.0079 - 1581 SYS 527 TIP3 H2 A 0.417000 1.0079 - 1582 SYS 528 TIP3 O1 C -0.834000 15.9994 - 1583 SYS 528 TIP3 H1 A 0.417000 1.0079 - 1584 SYS 528 TIP3 H2 A 0.417000 1.0079 - 1585 SYS 529 TIP3 O1 C -0.834000 15.9994 - 1586 SYS 529 TIP3 H1 A 0.417000 1.0079 - 1587 SYS 529 TIP3 H2 A 0.417000 1.0079 - 1588 SYS 530 TIP3 O1 C -0.834000 15.9994 - 1589 SYS 530 TIP3 H1 A 0.417000 1.0079 - 1590 SYS 530 TIP3 H2 A 0.417000 1.0079 - 1591 SYS 531 TIP3 O1 C -0.834000 15.9994 - 1592 SYS 531 TIP3 H1 A 0.417000 1.0079 - 1593 SYS 531 TIP3 H2 A 0.417000 1.0079 - 1594 SYS 532 TIP3 O1 C -0.834000 15.9994 - 1595 SYS 532 TIP3 H1 A 0.417000 1.0079 - 1596 SYS 532 TIP3 H2 A 0.417000 1.0079 - 1597 SYS 533 TIP3 O1 C -0.834000 15.9994 - 1598 SYS 533 TIP3 H1 A 0.417000 1.0079 - 1599 SYS 533 TIP3 H2 A 0.417000 1.0079 - 1600 SYS 534 TIP3 O1 C -0.834000 15.9994 - 1601 SYS 534 TIP3 H1 A 0.417000 1.0079 - 1602 SYS 534 TIP3 H2 A 0.417000 1.0079 - 1603 SYS 535 TIP3 O1 C -0.834000 15.9994 - 1604 SYS 535 TIP3 H1 A 0.417000 1.0079 - 1605 SYS 535 TIP3 H2 A 0.417000 1.0079 - 1606 SYS 536 TIP3 O1 C -0.834000 15.9994 - 1607 SYS 536 TIP3 H1 A 0.417000 1.0079 - 1608 SYS 536 TIP3 H2 A 0.417000 1.0079 - 1609 SYS 537 TIP3 O1 C -0.834000 15.9994 - 1610 SYS 537 TIP3 H1 A 0.417000 1.0079 - 1611 SYS 537 TIP3 H2 A 0.417000 1.0079 - 1612 SYS 538 TIP3 O1 C -0.834000 15.9994 - 1613 SYS 538 TIP3 H1 A 0.417000 1.0079 - 1614 SYS 538 TIP3 H2 A 0.417000 1.0079 - 1615 SYS 539 TIP3 O1 C -0.834000 15.9994 - 1616 SYS 539 TIP3 H1 A 0.417000 1.0079 - 1617 SYS 539 TIP3 H2 A 0.417000 1.0079 - 1618 SYS 540 TIP3 O1 C -0.834000 15.9994 - 1619 SYS 540 TIP3 H1 A 0.417000 1.0079 - 1620 SYS 540 TIP3 H2 A 0.417000 1.0079 - 1621 SYS 541 TIP3 O1 C -0.834000 15.9994 - 1622 SYS 541 TIP3 H1 A 0.417000 1.0079 - 1623 SYS 541 TIP3 H2 A 0.417000 1.0079 - 1624 SYS 542 TIP3 O1 C -0.834000 15.9994 - 1625 SYS 542 TIP3 H1 A 0.417000 1.0079 - 1626 SYS 542 TIP3 H2 A 0.417000 1.0079 - 1627 SYS 543 TIP3 O1 C -0.834000 15.9994 - 1628 SYS 543 TIP3 H1 A 0.417000 1.0079 - 1629 SYS 543 TIP3 H2 A 0.417000 1.0079 - 1630 SYS 544 TIP3 O1 C -0.834000 15.9994 - 1631 SYS 544 TIP3 H1 A 0.417000 1.0079 - 1632 SYS 544 TIP3 H2 A 0.417000 1.0079 - 1633 SYS 545 TIP3 O1 C -0.834000 15.9994 - 1634 SYS 545 TIP3 H1 A 0.417000 1.0079 - 1635 SYS 545 TIP3 H2 A 0.417000 1.0079 - 1636 SYS 546 TIP3 O1 C -0.834000 15.9994 - 1637 SYS 546 TIP3 H1 A 0.417000 1.0079 - 1638 SYS 546 TIP3 H2 A 0.417000 1.0079 - 1639 SYS 547 TIP3 O1 C -0.834000 15.9994 - 1640 SYS 547 TIP3 H1 A 0.417000 1.0079 - 1641 SYS 547 TIP3 H2 A 0.417000 1.0079 - 1642 SYS 548 TIP3 O1 C -0.834000 15.9994 - 1643 SYS 548 TIP3 H1 A 0.417000 1.0079 - 1644 SYS 548 TIP3 H2 A 0.417000 1.0079 - 1645 SYS 549 TIP3 O1 C -0.834000 15.9994 - 1646 SYS 549 TIP3 H1 A 0.417000 1.0079 - 1647 SYS 549 TIP3 H2 A 0.417000 1.0079 - 1648 SYS 550 TIP3 O1 C -0.834000 15.9994 - 1649 SYS 550 TIP3 H1 A 0.417000 1.0079 - 1650 SYS 550 TIP3 H2 A 0.417000 1.0079 - 1651 SYS 551 TIP3 O1 C -0.834000 15.9994 - 1652 SYS 551 TIP3 H1 A 0.417000 1.0079 - 1653 SYS 551 TIP3 H2 A 0.417000 1.0079 - 1654 SYS 552 TIP3 O1 C -0.834000 15.9994 - 1655 SYS 552 TIP3 H1 A 0.417000 1.0079 - 1656 SYS 552 TIP3 H2 A 0.417000 1.0079 - 1657 SYS 553 TIP3 O1 C -0.834000 15.9994 - 1658 SYS 553 TIP3 H1 A 0.417000 1.0079 - 1659 SYS 553 TIP3 H2 A 0.417000 1.0079 - 1660 SYS 554 TIP3 O1 C -0.834000 15.9994 - 1661 SYS 554 TIP3 H1 A 0.417000 1.0079 - 1662 SYS 554 TIP3 H2 A 0.417000 1.0079 - 1663 SYS 555 TIP3 O1 C -0.834000 15.9994 - 1664 SYS 555 TIP3 H1 A 0.417000 1.0079 - 1665 SYS 555 TIP3 H2 A 0.417000 1.0079 - 1666 SYS 556 TIP3 O1 C -0.834000 15.9994 - 1667 SYS 556 TIP3 H1 A 0.417000 1.0079 - 1668 SYS 556 TIP3 H2 A 0.417000 1.0079 - 1669 SYS 557 TIP3 O1 C -0.834000 15.9994 - 1670 SYS 557 TIP3 H1 A 0.417000 1.0079 - 1671 SYS 557 TIP3 H2 A 0.417000 1.0079 - 1672 SYS 558 TIP3 O1 C -0.834000 15.9994 - 1673 SYS 558 TIP3 H1 A 0.417000 1.0079 - 1674 SYS 558 TIP3 H2 A 0.417000 1.0079 - 1675 SYS 559 TIP3 O1 C -0.834000 15.9994 - 1676 SYS 559 TIP3 H1 A 0.417000 1.0079 - 1677 SYS 559 TIP3 H2 A 0.417000 1.0079 - 1678 SYS 560 TIP3 O1 C -0.834000 15.9994 - 1679 SYS 560 TIP3 H1 A 0.417000 1.0079 - 1680 SYS 560 TIP3 H2 A 0.417000 1.0079 - 1681 SYS 561 TIP3 O1 C -0.834000 15.9994 - 1682 SYS 561 TIP3 H1 A 0.417000 1.0079 - 1683 SYS 561 TIP3 H2 A 0.417000 1.0079 - 1684 SYS 562 TIP3 O1 C -0.834000 15.9994 - 1685 SYS 562 TIP3 H1 A 0.417000 1.0079 - 1686 SYS 562 TIP3 H2 A 0.417000 1.0079 - 1687 SYS 563 TIP3 O1 C -0.834000 15.9994 - 1688 SYS 563 TIP3 H1 A 0.417000 1.0079 - 1689 SYS 563 TIP3 H2 A 0.417000 1.0079 - 1690 SYS 564 TIP3 O1 C -0.834000 15.9994 - 1691 SYS 564 TIP3 H1 A 0.417000 1.0079 - 1692 SYS 564 TIP3 H2 A 0.417000 1.0079 - 1693 SYS 565 TIP3 O1 C -0.834000 15.9994 - 1694 SYS 565 TIP3 H1 A 0.417000 1.0079 - 1695 SYS 565 TIP3 H2 A 0.417000 1.0079 - 1696 SYS 566 TIP3 O1 C -0.834000 15.9994 - 1697 SYS 566 TIP3 H1 A 0.417000 1.0079 - 1698 SYS 566 TIP3 H2 A 0.417000 1.0079 - 1699 SYS 567 TIP3 O1 C -0.834000 15.9994 - 1700 SYS 567 TIP3 H1 A 0.417000 1.0079 - 1701 SYS 567 TIP3 H2 A 0.417000 1.0079 - 1702 SYS 568 TIP3 O1 C -0.834000 15.9994 - 1703 SYS 568 TIP3 H1 A 0.417000 1.0079 - 1704 SYS 568 TIP3 H2 A 0.417000 1.0079 - 1705 SYS 569 TIP3 O1 C -0.834000 15.9994 - 1706 SYS 569 TIP3 H1 A 0.417000 1.0079 - 1707 SYS 569 TIP3 H2 A 0.417000 1.0079 - 1708 SYS 570 TIP3 O1 C -0.834000 15.9994 - 1709 SYS 570 TIP3 H1 A 0.417000 1.0079 - 1710 SYS 570 TIP3 H2 A 0.417000 1.0079 - 1711 SYS 571 TIP3 O1 C -0.834000 15.9994 - 1712 SYS 571 TIP3 H1 A 0.417000 1.0079 - 1713 SYS 571 TIP3 H2 A 0.417000 1.0079 - 1714 SYS 572 TIP3 O1 C -0.834000 15.9994 - 1715 SYS 572 TIP3 H1 A 0.417000 1.0079 - 1716 SYS 572 TIP3 H2 A 0.417000 1.0079 - 1717 SYS 573 TIP3 O1 C -0.834000 15.9994 - 1718 SYS 573 TIP3 H1 A 0.417000 1.0079 - 1719 SYS 573 TIP3 H2 A 0.417000 1.0079 - 1720 SYS 574 TIP3 O1 C -0.834000 15.9994 - 1721 SYS 574 TIP3 H1 A 0.417000 1.0079 - 1722 SYS 574 TIP3 H2 A 0.417000 1.0079 - 1723 SYS 575 TIP3 O1 C -0.834000 15.9994 - 1724 SYS 575 TIP3 H1 A 0.417000 1.0079 - 1725 SYS 575 TIP3 H2 A 0.417000 1.0079 - 1726 SYS 576 TIP3 O1 C -0.834000 15.9994 - 1727 SYS 576 TIP3 H1 A 0.417000 1.0079 - 1728 SYS 576 TIP3 H2 A 0.417000 1.0079 - 1729 SYS 577 TIP3 O1 C -0.834000 15.9994 - 1730 SYS 577 TIP3 H1 A 0.417000 1.0079 - 1731 SYS 577 TIP3 H2 A 0.417000 1.0079 - 1732 SYS 578 TIP3 O1 C -0.834000 15.9994 - 1733 SYS 578 TIP3 H1 A 0.417000 1.0079 - 1734 SYS 578 TIP3 H2 A 0.417000 1.0079 - 1735 SYS 579 TIP3 O1 C -0.834000 15.9994 - 1736 SYS 579 TIP3 H1 A 0.417000 1.0079 - 1737 SYS 579 TIP3 H2 A 0.417000 1.0079 - 1738 SYS 580 TIP3 O1 C -0.834000 15.9994 - 1739 SYS 580 TIP3 H1 A 0.417000 1.0079 - 1740 SYS 580 TIP3 H2 A 0.417000 1.0079 - 1741 SYS 581 TIP3 O1 C -0.834000 15.9994 - 1742 SYS 581 TIP3 H1 A 0.417000 1.0079 - 1743 SYS 581 TIP3 H2 A 0.417000 1.0079 - 1744 SYS 582 TIP3 O1 C -0.834000 15.9994 - 1745 SYS 582 TIP3 H1 A 0.417000 1.0079 - 1746 SYS 582 TIP3 H2 A 0.417000 1.0079 - 1747 SYS 583 TIP3 O1 C -0.834000 15.9994 - 1748 SYS 583 TIP3 H1 A 0.417000 1.0079 - 1749 SYS 583 TIP3 H2 A 0.417000 1.0079 - 1750 SYS 584 TIP3 O1 C -0.834000 15.9994 - 1751 SYS 584 TIP3 H1 A 0.417000 1.0079 - 1752 SYS 584 TIP3 H2 A 0.417000 1.0079 - 1753 SYS 585 TIP3 O1 C -0.834000 15.9994 - 1754 SYS 585 TIP3 H1 A 0.417000 1.0079 - 1755 SYS 585 TIP3 H2 A 0.417000 1.0079 - 1756 SYS 586 TIP3 O1 C -0.834000 15.9994 - 1757 SYS 586 TIP3 H1 A 0.417000 1.0079 - 1758 SYS 586 TIP3 H2 A 0.417000 1.0079 - 1759 SYS 587 TIP3 O1 C -0.834000 15.9994 - 1760 SYS 587 TIP3 H1 A 0.417000 1.0079 - 1761 SYS 587 TIP3 H2 A 0.417000 1.0079 - 1762 SYS 588 TIP3 O1 C -0.834000 15.9994 - 1763 SYS 588 TIP3 H1 A 0.417000 1.0079 - 1764 SYS 588 TIP3 H2 A 0.417000 1.0079 - 1765 SYS 589 TIP3 O1 C -0.834000 15.9994 - 1766 SYS 589 TIP3 H1 A 0.417000 1.0079 - 1767 SYS 589 TIP3 H2 A 0.417000 1.0079 - 1768 SYS 590 TIP3 O1 C -0.834000 15.9994 - 1769 SYS 590 TIP3 H1 A 0.417000 1.0079 - 1770 SYS 590 TIP3 H2 A 0.417000 1.0079 - 1771 SYS 591 TIP3 O1 C -0.834000 15.9994 - 1772 SYS 591 TIP3 H1 A 0.417000 1.0079 - 1773 SYS 591 TIP3 H2 A 0.417000 1.0079 - 1774 SYS 592 TIP3 O1 C -0.834000 15.9994 - 1775 SYS 592 TIP3 H1 A 0.417000 1.0079 - 1776 SYS 592 TIP3 H2 A 0.417000 1.0079 - 1777 SYS 593 TIP3 O1 C -0.834000 15.9994 - 1778 SYS 593 TIP3 H1 A 0.417000 1.0079 - 1779 SYS 593 TIP3 H2 A 0.417000 1.0079 - 1780 SYS 594 TIP3 O1 C -0.834000 15.9994 - 1781 SYS 594 TIP3 H1 A 0.417000 1.0079 - 1782 SYS 594 TIP3 H2 A 0.417000 1.0079 - 1783 SYS 595 TIP3 O1 C -0.834000 15.9994 - 1784 SYS 595 TIP3 H1 A 0.417000 1.0079 - 1785 SYS 595 TIP3 H2 A 0.417000 1.0079 - 1786 SYS 596 TIP3 O1 C -0.834000 15.9994 - 1787 SYS 596 TIP3 H1 A 0.417000 1.0079 - 1788 SYS 596 TIP3 H2 A 0.417000 1.0079 - 1789 SYS 597 TIP3 O1 C -0.834000 15.9994 - 1790 SYS 597 TIP3 H1 A 0.417000 1.0079 - 1791 SYS 597 TIP3 H2 A 0.417000 1.0079 - 1792 SYS 598 TIP3 O1 C -0.834000 15.9994 - 1793 SYS 598 TIP3 H1 A 0.417000 1.0079 - 1794 SYS 598 TIP3 H2 A 0.417000 1.0079 - 1795 SYS 599 TIP3 O1 C -0.834000 15.9994 - 1796 SYS 599 TIP3 H1 A 0.417000 1.0079 - 1797 SYS 599 TIP3 H2 A 0.417000 1.0079 - 1798 SYS 600 TIP3 O1 C -0.834000 15.9994 - 1799 SYS 600 TIP3 H1 A 0.417000 1.0079 - 1800 SYS 600 TIP3 H2 A 0.417000 1.0079 - 1801 SYS 601 TIP3 O1 C -0.834000 15.9994 - 1802 SYS 601 TIP3 H1 A 0.417000 1.0079 - 1803 SYS 601 TIP3 H2 A 0.417000 1.0079 - 1804 SYS 602 TIP3 O1 C -0.834000 15.9994 - 1805 SYS 602 TIP3 H1 A 0.417000 1.0079 - 1806 SYS 602 TIP3 H2 A 0.417000 1.0079 - 1807 SYS 603 TIP3 O1 C -0.834000 15.9994 - 1808 SYS 603 TIP3 H1 A 0.417000 1.0079 - 1809 SYS 603 TIP3 H2 A 0.417000 1.0079 - 1810 SYS 604 TIP3 O1 C -0.834000 15.9994 - 1811 SYS 604 TIP3 H1 A 0.417000 1.0079 - 1812 SYS 604 TIP3 H2 A 0.417000 1.0079 - 1813 SYS 605 TIP3 O1 C -0.834000 15.9994 - 1814 SYS 605 TIP3 H1 A 0.417000 1.0079 - 1815 SYS 605 TIP3 H2 A 0.417000 1.0079 - 1816 SYS 606 TIP3 O1 C -0.834000 15.9994 - 1817 SYS 606 TIP3 H1 A 0.417000 1.0079 - 1818 SYS 606 TIP3 H2 A 0.417000 1.0079 - 1819 SYS 607 TIP3 O1 C -0.834000 15.9994 - 1820 SYS 607 TIP3 H1 A 0.417000 1.0079 - 1821 SYS 607 TIP3 H2 A 0.417000 1.0079 - 1822 SYS 608 TIP3 O1 C -0.834000 15.9994 - 1823 SYS 608 TIP3 H1 A 0.417000 1.0079 - 1824 SYS 608 TIP3 H2 A 0.417000 1.0079 - 1825 SYS 609 TIP3 O1 C -0.834000 15.9994 - 1826 SYS 609 TIP3 H1 A 0.417000 1.0079 - 1827 SYS 609 TIP3 H2 A 0.417000 1.0079 - 1828 SYS 610 TIP3 O1 C -0.834000 15.9994 - 1829 SYS 610 TIP3 H1 A 0.417000 1.0079 - 1830 SYS 610 TIP3 H2 A 0.417000 1.0079 - 1831 SYS 611 TIP3 O1 C -0.834000 15.9994 - 1832 SYS 611 TIP3 H1 A 0.417000 1.0079 - 1833 SYS 611 TIP3 H2 A 0.417000 1.0079 - 1834 SYS 612 TIP3 O1 C -0.834000 15.9994 - 1835 SYS 612 TIP3 H1 A 0.417000 1.0079 - 1836 SYS 612 TIP3 H2 A 0.417000 1.0079 - 1837 SYS 613 TIP3 O1 C -0.834000 15.9994 - 1838 SYS 613 TIP3 H1 A 0.417000 1.0079 - 1839 SYS 613 TIP3 H2 A 0.417000 1.0079 - 1840 SYS 614 TIP3 O1 C -0.834000 15.9994 - 1841 SYS 614 TIP3 H1 A 0.417000 1.0079 - 1842 SYS 614 TIP3 H2 A 0.417000 1.0079 - 1843 SYS 615 TIP3 O1 C -0.834000 15.9994 - 1844 SYS 615 TIP3 H1 A 0.417000 1.0079 - 1845 SYS 615 TIP3 H2 A 0.417000 1.0079 - 1846 SYS 616 TIP3 O1 C -0.834000 15.9994 - 1847 SYS 616 TIP3 H1 A 0.417000 1.0079 - 1848 SYS 616 TIP3 H2 A 0.417000 1.0079 - 1849 SYS 617 TIP3 O1 C -0.834000 15.9994 - 1850 SYS 617 TIP3 H1 A 0.417000 1.0079 - 1851 SYS 617 TIP3 H2 A 0.417000 1.0079 - 1852 SYS 618 TIP3 O1 C -0.834000 15.9994 - 1853 SYS 618 TIP3 H1 A 0.417000 1.0079 - 1854 SYS 618 TIP3 H2 A 0.417000 1.0079 - 1855 SYS 619 TIP3 O1 C -0.834000 15.9994 - 1856 SYS 619 TIP3 H1 A 0.417000 1.0079 - 1857 SYS 619 TIP3 H2 A 0.417000 1.0079 - 1858 SYS 620 TIP3 O1 C -0.834000 15.9994 - 1859 SYS 620 TIP3 H1 A 0.417000 1.0079 - 1860 SYS 620 TIP3 H2 A 0.417000 1.0079 - 1861 SYS 621 TIP3 O1 C -0.834000 15.9994 - 1862 SYS 621 TIP3 H1 A 0.417000 1.0079 - 1863 SYS 621 TIP3 H2 A 0.417000 1.0079 - 1864 SYS 622 TIP3 O1 C -0.834000 15.9994 - 1865 SYS 622 TIP3 H1 A 0.417000 1.0079 - 1866 SYS 622 TIP3 H2 A 0.417000 1.0079 - 1867 SYS 623 TIP3 O1 C -0.834000 15.9994 - 1868 SYS 623 TIP3 H1 A 0.417000 1.0079 - 1869 SYS 623 TIP3 H2 A 0.417000 1.0079 - 1870 SYS 624 TIP3 O1 C -0.834000 15.9994 - 1871 SYS 624 TIP3 H1 A 0.417000 1.0079 - 1872 SYS 624 TIP3 H2 A 0.417000 1.0079 - 1873 SYS 625 TIP3 O1 C -0.834000 15.9994 - 1874 SYS 625 TIP3 H1 A 0.417000 1.0079 - 1875 SYS 625 TIP3 H2 A 0.417000 1.0079 - 1876 SYS 626 TIP3 O1 C -0.834000 15.9994 - 1877 SYS 626 TIP3 H1 A 0.417000 1.0079 - 1878 SYS 626 TIP3 H2 A 0.417000 1.0079 - 1879 SYS 627 TIP3 O1 C -0.834000 15.9994 - 1880 SYS 627 TIP3 H1 A 0.417000 1.0079 - 1881 SYS 627 TIP3 H2 A 0.417000 1.0079 - 1882 SYS 628 TIP3 O1 C -0.834000 15.9994 - 1883 SYS 628 TIP3 H1 A 0.417000 1.0079 - 1884 SYS 628 TIP3 H2 A 0.417000 1.0079 - 1885 SYS 629 TIP3 O1 C -0.834000 15.9994 - 1886 SYS 629 TIP3 H1 A 0.417000 1.0079 - 1887 SYS 629 TIP3 H2 A 0.417000 1.0079 - 1888 SYS 630 TIP3 O1 C -0.834000 15.9994 - 1889 SYS 630 TIP3 H1 A 0.417000 1.0079 - 1890 SYS 630 TIP3 H2 A 0.417000 1.0079 - 1891 SYS 631 TIP3 O1 C -0.834000 15.9994 - 1892 SYS 631 TIP3 H1 A 0.417000 1.0079 - 1893 SYS 631 TIP3 H2 A 0.417000 1.0079 - 1894 SYS 632 TIP3 O1 C -0.834000 15.9994 - 1895 SYS 632 TIP3 H1 A 0.417000 1.0079 - 1896 SYS 632 TIP3 H2 A 0.417000 1.0079 - 1897 SYS 633 TIP3 O1 C -0.834000 15.9994 - 1898 SYS 633 TIP3 H1 A 0.417000 1.0079 - 1899 SYS 633 TIP3 H2 A 0.417000 1.0079 - 1900 SYS 634 TIP3 O1 C -0.834000 15.9994 - 1901 SYS 634 TIP3 H1 A 0.417000 1.0079 - 1902 SYS 634 TIP3 H2 A 0.417000 1.0079 - 1903 SYS 635 TIP3 O1 C -0.834000 15.9994 - 1904 SYS 635 TIP3 H1 A 0.417000 1.0079 - 1905 SYS 635 TIP3 H2 A 0.417000 1.0079 - 1906 SYS 636 TIP3 O1 C -0.834000 15.9994 - 1907 SYS 636 TIP3 H1 A 0.417000 1.0079 - 1908 SYS 636 TIP3 H2 A 0.417000 1.0079 - 1909 SYS 637 TIP3 O1 C -0.834000 15.9994 - 1910 SYS 637 TIP3 H1 A 0.417000 1.0079 - 1911 SYS 637 TIP3 H2 A 0.417000 1.0079 - 1912 SYS 638 TIP3 O1 C -0.834000 15.9994 - 1913 SYS 638 TIP3 H1 A 0.417000 1.0079 - 1914 SYS 638 TIP3 H2 A 0.417000 1.0079 - 1915 SYS 639 TIP3 O1 C -0.834000 15.9994 - 1916 SYS 639 TIP3 H1 A 0.417000 1.0079 - 1917 SYS 639 TIP3 H2 A 0.417000 1.0079 - 1918 SYS 640 TIP3 O1 C -0.834000 15.9994 - 1919 SYS 640 TIP3 H1 A 0.417000 1.0079 - 1920 SYS 640 TIP3 H2 A 0.417000 1.0079 - 1921 SYS 641 TIP3 O1 C -0.834000 15.9994 - 1922 SYS 641 TIP3 H1 A 0.417000 1.0079 - 1923 SYS 641 TIP3 H2 A 0.417000 1.0079 - 1924 SYS 642 TIP3 O1 C -0.834000 15.9994 - 1925 SYS 642 TIP3 H1 A 0.417000 1.0079 - 1926 SYS 642 TIP3 H2 A 0.417000 1.0079 - 1927 SYS 643 TIP3 O1 C -0.834000 15.9994 - 1928 SYS 643 TIP3 H1 A 0.417000 1.0079 - 1929 SYS 643 TIP3 H2 A 0.417000 1.0079 - 1930 SYS 644 TIP3 O1 C -0.834000 15.9994 - 1931 SYS 644 TIP3 H1 A 0.417000 1.0079 - 1932 SYS 644 TIP3 H2 A 0.417000 1.0079 - 1933 SYS 645 TIP3 O1 C -0.834000 15.9994 - 1934 SYS 645 TIP3 H1 A 0.417000 1.0079 - 1935 SYS 645 TIP3 H2 A 0.417000 1.0079 - 1936 SYS 646 TIP3 O1 C -0.834000 15.9994 - 1937 SYS 646 TIP3 H1 A 0.417000 1.0079 - 1938 SYS 646 TIP3 H2 A 0.417000 1.0079 - 1939 SYS 647 TIP3 O1 C -0.834000 15.9994 - 1940 SYS 647 TIP3 H1 A 0.417000 1.0079 - 1941 SYS 647 TIP3 H2 A 0.417000 1.0079 - 1942 SYS 648 TIP3 O1 C -0.834000 15.9994 - 1943 SYS 648 TIP3 H1 A 0.417000 1.0079 - 1944 SYS 648 TIP3 H2 A 0.417000 1.0079 - 1945 SYS 649 TIP3 O1 C -0.834000 15.9994 - 1946 SYS 649 TIP3 H1 A 0.417000 1.0079 - 1947 SYS 649 TIP3 H2 A 0.417000 1.0079 - 1948 SYS 650 TIP3 O1 C -0.834000 15.9994 - 1949 SYS 650 TIP3 H1 A 0.417000 1.0079 - 1950 SYS 650 TIP3 H2 A 0.417000 1.0079 - 1951 SYS 651 TIP3 O1 C -0.834000 15.9994 - 1952 SYS 651 TIP3 H1 A 0.417000 1.0079 - 1953 SYS 651 TIP3 H2 A 0.417000 1.0079 - 1954 SYS 652 TIP3 O1 C -0.834000 15.9994 - 1955 SYS 652 TIP3 H1 A 0.417000 1.0079 - 1956 SYS 652 TIP3 H2 A 0.417000 1.0079 - 1957 SYS 653 TIP3 O1 C -0.834000 15.9994 - 1958 SYS 653 TIP3 H1 A 0.417000 1.0079 - 1959 SYS 653 TIP3 H2 A 0.417000 1.0079 - 1960 SYS 654 TIP3 O1 C -0.834000 15.9994 - 1961 SYS 654 TIP3 H1 A 0.417000 1.0079 - 1962 SYS 654 TIP3 H2 A 0.417000 1.0079 - 1963 SYS 655 TIP3 O1 C -0.834000 15.9994 - 1964 SYS 655 TIP3 H1 A 0.417000 1.0079 - 1965 SYS 655 TIP3 H2 A 0.417000 1.0079 - 1966 SYS 656 TIP3 O1 C -0.834000 15.9994 - 1967 SYS 656 TIP3 H1 A 0.417000 1.0079 - 1968 SYS 656 TIP3 H2 A 0.417000 1.0079 - 1969 SYS 657 TIP3 O1 C -0.834000 15.9994 - 1970 SYS 657 TIP3 H1 A 0.417000 1.0079 - 1971 SYS 657 TIP3 H2 A 0.417000 1.0079 - 1972 SYS 658 TIP3 O1 C -0.834000 15.9994 - 1973 SYS 658 TIP3 H1 A 0.417000 1.0079 - 1974 SYS 658 TIP3 H2 A 0.417000 1.0079 - 1975 SYS 659 TIP3 O1 C -0.834000 15.9994 - 1976 SYS 659 TIP3 H1 A 0.417000 1.0079 - 1977 SYS 659 TIP3 H2 A 0.417000 1.0079 - 1978 SYS 660 TIP3 O1 C -0.834000 15.9994 - 1979 SYS 660 TIP3 H1 A 0.417000 1.0079 - 1980 SYS 660 TIP3 H2 A 0.417000 1.0079 - 1981 SYS 661 TIP3 O1 C -0.834000 15.9994 - 1982 SYS 661 TIP3 H1 A 0.417000 1.0079 - 1983 SYS 661 TIP3 H2 A 0.417000 1.0079 - 1984 SYS 662 TIP3 O1 C -0.834000 15.9994 - 1985 SYS 662 TIP3 H1 A 0.417000 1.0079 - 1986 SYS 662 TIP3 H2 A 0.417000 1.0079 - 1987 SYS 663 TIP3 O1 C -0.834000 15.9994 - 1988 SYS 663 TIP3 H1 A 0.417000 1.0079 - 1989 SYS 663 TIP3 H2 A 0.417000 1.0079 - 1990 SYS 664 TIP3 O1 C -0.834000 15.9994 - 1991 SYS 664 TIP3 H1 A 0.417000 1.0079 - 1992 SYS 664 TIP3 H2 A 0.417000 1.0079 - 1993 SYS 665 TIP3 O1 C -0.834000 15.9994 - 1994 SYS 665 TIP3 H1 A 0.417000 1.0079 - 1995 SYS 665 TIP3 H2 A 0.417000 1.0079 - 1996 SYS 666 TIP3 O1 C -0.834000 15.9994 - 1997 SYS 666 TIP3 H1 A 0.417000 1.0079 - 1998 SYS 666 TIP3 H2 A 0.417000 1.0079 - 1999 SYS 667 TIP3 O1 C -0.834000 15.9994 - 2000 SYS 667 TIP3 H1 A 0.417000 1.0079 - 2001 SYS 667 TIP3 H2 A 0.417000 1.0079 - 2002 SYS 668 TIP3 O1 C -0.834000 15.9994 - 2003 SYS 668 TIP3 H1 A 0.417000 1.0079 - 2004 SYS 668 TIP3 H2 A 0.417000 1.0079 - 2005 SYS 669 TIP3 O1 C -0.834000 15.9994 - 2006 SYS 669 TIP3 H1 A 0.417000 1.0079 - 2007 SYS 669 TIP3 H2 A 0.417000 1.0079 - 2008 SYS 670 TIP3 O1 C -0.834000 15.9994 - 2009 SYS 670 TIP3 H1 A 0.417000 1.0079 - 2010 SYS 670 TIP3 H2 A 0.417000 1.0079 - 2011 SYS 671 TIP3 O1 C -0.834000 15.9994 - 2012 SYS 671 TIP3 H1 A 0.417000 1.0079 - 2013 SYS 671 TIP3 H2 A 0.417000 1.0079 - 2014 SYS 672 TIP3 O1 C -0.834000 15.9994 - 2015 SYS 672 TIP3 H1 A 0.417000 1.0079 - 2016 SYS 672 TIP3 H2 A 0.417000 1.0079 - 2017 SYS 673 TIP3 O1 C -0.834000 15.9994 - 2018 SYS 673 TIP3 H1 A 0.417000 1.0079 - 2019 SYS 673 TIP3 H2 A 0.417000 1.0079 - 2020 SYS 674 TIP3 O1 C -0.834000 15.9994 - 2021 SYS 674 TIP3 H1 A 0.417000 1.0079 - 2022 SYS 674 TIP3 H2 A 0.417000 1.0079 - 2023 SYS 675 TIP3 O1 C -0.834000 15.9994 - 2024 SYS 675 TIP3 H1 A 0.417000 1.0079 - 2025 SYS 675 TIP3 H2 A 0.417000 1.0079 - 2026 SYS 676 TIP3 O1 C -0.834000 15.9994 - 2027 SYS 676 TIP3 H1 A 0.417000 1.0079 - 2028 SYS 676 TIP3 H2 A 0.417000 1.0079 - 2029 SYS 677 TIP3 O1 C -0.834000 15.9994 - 2030 SYS 677 TIP3 H1 A 0.417000 1.0079 - 2031 SYS 677 TIP3 H2 A 0.417000 1.0079 - 2032 SYS 678 TIP3 O1 C -0.834000 15.9994 - 2033 SYS 678 TIP3 H1 A 0.417000 1.0079 - 2034 SYS 678 TIP3 H2 A 0.417000 1.0079 - 2035 SYS 679 TIP3 O1 C -0.834000 15.9994 - 2036 SYS 679 TIP3 H1 A 0.417000 1.0079 - 2037 SYS 679 TIP3 H2 A 0.417000 1.0079 - 2038 SYS 680 TIP3 O1 C -0.834000 15.9994 - 2039 SYS 680 TIP3 H1 A 0.417000 1.0079 - 2040 SYS 680 TIP3 H2 A 0.417000 1.0079 - 2041 SYS 681 TIP3 O1 C -0.834000 15.9994 - 2042 SYS 681 TIP3 H1 A 0.417000 1.0079 - 2043 SYS 681 TIP3 H2 A 0.417000 1.0079 - 2044 SYS 682 TIP3 O1 C -0.834000 15.9994 - 2045 SYS 682 TIP3 H1 A 0.417000 1.0079 - 2046 SYS 682 TIP3 H2 A 0.417000 1.0079 - 2047 SYS 683 TIP3 O1 C -0.834000 15.9994 - 2048 SYS 683 TIP3 H1 A 0.417000 1.0079 - 2049 SYS 683 TIP3 H2 A 0.417000 1.0079 - 2050 SYS 684 TIP3 O1 C -0.834000 15.9994 - 2051 SYS 684 TIP3 H1 A 0.417000 1.0079 - 2052 SYS 684 TIP3 H2 A 0.417000 1.0079 - 2053 SYS 685 TIP3 O1 C -0.834000 15.9994 - 2054 SYS 685 TIP3 H1 A 0.417000 1.0079 - 2055 SYS 685 TIP3 H2 A 0.417000 1.0079 - 2056 SYS 686 TIP3 O1 C -0.834000 15.9994 - 2057 SYS 686 TIP3 H1 A 0.417000 1.0079 - 2058 SYS 686 TIP3 H2 A 0.417000 1.0079 - 2059 SYS 687 TIP3 O1 C -0.834000 15.9994 - 2060 SYS 687 TIP3 H1 A 0.417000 1.0079 - 2061 SYS 687 TIP3 H2 A 0.417000 1.0079 - 2062 SYS 688 TIP3 O1 C -0.834000 15.9994 - 2063 SYS 688 TIP3 H1 A 0.417000 1.0079 - 2064 SYS 688 TIP3 H2 A 0.417000 1.0079 - 2065 SYS 689 TIP3 O1 C -0.834000 15.9994 - 2066 SYS 689 TIP3 H1 A 0.417000 1.0079 - 2067 SYS 689 TIP3 H2 A 0.417000 1.0079 - 2068 SYS 690 TIP3 O1 C -0.834000 15.9994 - 2069 SYS 690 TIP3 H1 A 0.417000 1.0079 - 2070 SYS 690 TIP3 H2 A 0.417000 1.0079 - 2071 SYS 691 TIP3 O1 C -0.834000 15.9994 - 2072 SYS 691 TIP3 H1 A 0.417000 1.0079 - 2073 SYS 691 TIP3 H2 A 0.417000 1.0079 - 2074 SYS 692 TIP3 O1 C -0.834000 15.9994 - 2075 SYS 692 TIP3 H1 A 0.417000 1.0079 - 2076 SYS 692 TIP3 H2 A 0.417000 1.0079 - 2077 SYS 693 TIP3 O1 C -0.834000 15.9994 - 2078 SYS 693 TIP3 H1 A 0.417000 1.0079 - 2079 SYS 693 TIP3 H2 A 0.417000 1.0079 - 2080 SYS 694 TIP3 O1 C -0.834000 15.9994 - 2081 SYS 694 TIP3 H1 A 0.417000 1.0079 - 2082 SYS 694 TIP3 H2 A 0.417000 1.0079 - 2083 SYS 695 TIP3 O1 C -0.834000 15.9994 - 2084 SYS 695 TIP3 H1 A 0.417000 1.0079 - 2085 SYS 695 TIP3 H2 A 0.417000 1.0079 - 2086 SYS 696 TIP3 O1 C -0.834000 15.9994 - 2087 SYS 696 TIP3 H1 A 0.417000 1.0079 - 2088 SYS 696 TIP3 H2 A 0.417000 1.0079 - 2089 SYS 697 TIP3 O1 C -0.834000 15.9994 - 2090 SYS 697 TIP3 H1 A 0.417000 1.0079 - 2091 SYS 697 TIP3 H2 A 0.417000 1.0079 - 2092 SYS 698 TIP3 O1 C -0.834000 15.9994 - 2093 SYS 698 TIP3 H1 A 0.417000 1.0079 - 2094 SYS 698 TIP3 H2 A 0.417000 1.0079 - 2095 SYS 699 TIP3 O1 C -0.834000 15.9994 - 2096 SYS 699 TIP3 H1 A 0.417000 1.0079 - 2097 SYS 699 TIP3 H2 A 0.417000 1.0079 - 2098 SYS 700 TIP3 O1 C -0.834000 15.9994 - 2099 SYS 700 TIP3 H1 A 0.417000 1.0079 - 2100 SYS 700 TIP3 H2 A 0.417000 1.0079 - 2101 SYS 701 TIP3 O1 C -0.834000 15.9994 - 2102 SYS 701 TIP3 H1 A 0.417000 1.0079 - 2103 SYS 701 TIP3 H2 A 0.417000 1.0079 - 2104 SYS 702 TIP3 O1 C -0.834000 15.9994 - 2105 SYS 702 TIP3 H1 A 0.417000 1.0079 - 2106 SYS 702 TIP3 H2 A 0.417000 1.0079 - 2107 SYS 703 TIP3 O1 C -0.834000 15.9994 - 2108 SYS 703 TIP3 H1 A 0.417000 1.0079 - 2109 SYS 703 TIP3 H2 A 0.417000 1.0079 - 2110 SYS 704 TIP3 O1 C -0.834000 15.9994 - 2111 SYS 704 TIP3 H1 A 0.417000 1.0079 - 2112 SYS 704 TIP3 H2 A 0.417000 1.0079 - 2113 SYS 705 TIP3 O1 C -0.834000 15.9994 - 2114 SYS 705 TIP3 H1 A 0.417000 1.0079 - 2115 SYS 705 TIP3 H2 A 0.417000 1.0079 - 2116 SYS 706 TIP3 O1 C -0.834000 15.9994 - 2117 SYS 706 TIP3 H1 A 0.417000 1.0079 - 2118 SYS 706 TIP3 H2 A 0.417000 1.0079 - 2119 SYS 707 TIP3 O1 C -0.834000 15.9994 - 2120 SYS 707 TIP3 H1 A 0.417000 1.0079 - 2121 SYS 707 TIP3 H2 A 0.417000 1.0079 - 2122 SYS 708 TIP3 O1 C -0.834000 15.9994 - 2123 SYS 708 TIP3 H1 A 0.417000 1.0079 - 2124 SYS 708 TIP3 H2 A 0.417000 1.0079 - 2125 SYS 709 TIP3 O1 C -0.834000 15.9994 - 2126 SYS 709 TIP3 H1 A 0.417000 1.0079 - 2127 SYS 709 TIP3 H2 A 0.417000 1.0079 - 2128 SYS 710 TIP3 O1 C -0.834000 15.9994 - 2129 SYS 710 TIP3 H1 A 0.417000 1.0079 - 2130 SYS 710 TIP3 H2 A 0.417000 1.0079 - 2131 SYS 711 TIP3 O1 C -0.834000 15.9994 - 2132 SYS 711 TIP3 H1 A 0.417000 1.0079 - 2133 SYS 711 TIP3 H2 A 0.417000 1.0079 - 2134 SYS 712 TIP3 O1 C -0.834000 15.9994 - 2135 SYS 712 TIP3 H1 A 0.417000 1.0079 - 2136 SYS 712 TIP3 H2 A 0.417000 1.0079 - 2137 SYS 713 TIP3 O1 C -0.834000 15.9994 - 2138 SYS 713 TIP3 H1 A 0.417000 1.0079 - 2139 SYS 713 TIP3 H2 A 0.417000 1.0079 - 2140 SYS 714 TIP3 O1 C -0.834000 15.9994 - 2141 SYS 714 TIP3 H1 A 0.417000 1.0079 - 2142 SYS 714 TIP3 H2 A 0.417000 1.0079 - 2143 SYS 715 TIP3 O1 C -0.834000 15.9994 - 2144 SYS 715 TIP3 H1 A 0.417000 1.0079 - 2145 SYS 715 TIP3 H2 A 0.417000 1.0079 - 2146 SYS 716 TIP3 O1 C -0.834000 15.9994 - 2147 SYS 716 TIP3 H1 A 0.417000 1.0079 - 2148 SYS 716 TIP3 H2 A 0.417000 1.0079 - 2149 SYS 717 TIP3 O1 C -0.834000 15.9994 - 2150 SYS 717 TIP3 H1 A 0.417000 1.0079 - 2151 SYS 717 TIP3 H2 A 0.417000 1.0079 - 2152 SYS 718 TIP3 O1 C -0.834000 15.9994 - 2153 SYS 718 TIP3 H1 A 0.417000 1.0079 - 2154 SYS 718 TIP3 H2 A 0.417000 1.0079 - 2155 SYS 719 TIP3 O1 C -0.834000 15.9994 - 2156 SYS 719 TIP3 H1 A 0.417000 1.0079 - 2157 SYS 719 TIP3 H2 A 0.417000 1.0079 - 2158 SYS 720 TIP3 O1 C -0.834000 15.9994 - 2159 SYS 720 TIP3 H1 A 0.417000 1.0079 - 2160 SYS 720 TIP3 H2 A 0.417000 1.0079 - 2161 SYS 721 TIP3 O1 C -0.834000 15.9994 - 2162 SYS 721 TIP3 H1 A 0.417000 1.0079 - 2163 SYS 721 TIP3 H2 A 0.417000 1.0079 - 2164 SYS 722 TIP3 O1 C -0.834000 15.9994 - 2165 SYS 722 TIP3 H1 A 0.417000 1.0079 - 2166 SYS 722 TIP3 H2 A 0.417000 1.0079 - 2167 SYS 723 TIP3 O1 C -0.834000 15.9994 - 2168 SYS 723 TIP3 H1 A 0.417000 1.0079 - 2169 SYS 723 TIP3 H2 A 0.417000 1.0079 - 2170 SYS 724 TIP3 O1 C -0.834000 15.9994 - 2171 SYS 724 TIP3 H1 A 0.417000 1.0079 - 2172 SYS 724 TIP3 H2 A 0.417000 1.0079 - 2173 SYS 725 TIP3 O1 C -0.834000 15.9994 - 2174 SYS 725 TIP3 H1 A 0.417000 1.0079 - 2175 SYS 725 TIP3 H2 A 0.417000 1.0079 - 2176 SYS 726 TIP3 O1 C -0.834000 15.9994 - 2177 SYS 726 TIP3 H1 A 0.417000 1.0079 - 2178 SYS 726 TIP3 H2 A 0.417000 1.0079 - 2179 SYS 727 TIP3 O1 C -0.834000 15.9994 - 2180 SYS 727 TIP3 H1 A 0.417000 1.0079 - 2181 SYS 727 TIP3 H2 A 0.417000 1.0079 - 2182 SYS 728 TIP3 O1 C -0.834000 15.9994 - 2183 SYS 728 TIP3 H1 A 0.417000 1.0079 - 2184 SYS 728 TIP3 H2 A 0.417000 1.0079 - 2185 SYS 729 TIP3 O1 C -0.834000 15.9994 - 2186 SYS 729 TIP3 H1 A 0.417000 1.0079 - 2187 SYS 729 TIP3 H2 A 0.417000 1.0079 - 2188 SYS 730 TIP3 O1 C -0.834000 15.9994 - 2189 SYS 730 TIP3 H1 A 0.417000 1.0079 - 2190 SYS 730 TIP3 H2 A 0.417000 1.0079 - 2191 SYS 731 TIP3 O1 C -0.834000 15.9994 - 2192 SYS 731 TIP3 H1 A 0.417000 1.0079 - 2193 SYS 731 TIP3 H2 A 0.417000 1.0079 - 2194 SYS 732 TIP3 O1 C -0.834000 15.9994 - 2195 SYS 732 TIP3 H1 A 0.417000 1.0079 - 2196 SYS 732 TIP3 H2 A 0.417000 1.0079 - 2197 SYS 733 TIP3 O1 C -0.834000 15.9994 - 2198 SYS 733 TIP3 H1 A 0.417000 1.0079 - 2199 SYS 733 TIP3 H2 A 0.417000 1.0079 - 2200 SYS 734 TIP3 O1 C -0.834000 15.9994 - 2201 SYS 734 TIP3 H1 A 0.417000 1.0079 - 2202 SYS 734 TIP3 H2 A 0.417000 1.0079 - 2203 SYS 735 TIP3 O1 C -0.834000 15.9994 - 2204 SYS 735 TIP3 H1 A 0.417000 1.0079 - 2205 SYS 735 TIP3 H2 A 0.417000 1.0079 - 2206 SYS 736 TIP3 O1 C -0.834000 15.9994 - 2207 SYS 736 TIP3 H1 A 0.417000 1.0079 - 2208 SYS 736 TIP3 H2 A 0.417000 1.0079 - 2209 SYS 737 TIP3 O1 C -0.834000 15.9994 - 2210 SYS 737 TIP3 H1 A 0.417000 1.0079 - 2211 SYS 737 TIP3 H2 A 0.417000 1.0079 - 2212 SYS 738 TIP3 O1 C -0.834000 15.9994 - 2213 SYS 738 TIP3 H1 A 0.417000 1.0079 - 2214 SYS 738 TIP3 H2 A 0.417000 1.0079 - 2215 SYS 739 TIP3 O1 C -0.834000 15.9994 - 2216 SYS 739 TIP3 H1 A 0.417000 1.0079 - 2217 SYS 739 TIP3 H2 A 0.417000 1.0079 - 2218 SYS 740 TIP3 O1 C -0.834000 15.9994 - 2219 SYS 740 TIP3 H1 A 0.417000 1.0079 - 2220 SYS 740 TIP3 H2 A 0.417000 1.0079 - 2221 SYS 741 TIP3 O1 C -0.834000 15.9994 - 2222 SYS 741 TIP3 H1 A 0.417000 1.0079 - 2223 SYS 741 TIP3 H2 A 0.417000 1.0079 - 2224 SYS 742 TIP3 O1 C -0.834000 15.9994 - 2225 SYS 742 TIP3 H1 A 0.417000 1.0079 - 2226 SYS 742 TIP3 H2 A 0.417000 1.0079 - 2227 SYS 743 TIP3 O1 C -0.834000 15.9994 - 2228 SYS 743 TIP3 H1 A 0.417000 1.0079 - 2229 SYS 743 TIP3 H2 A 0.417000 1.0079 - 2230 SYS 744 TIP3 O1 C -0.834000 15.9994 - 2231 SYS 744 TIP3 H1 A 0.417000 1.0079 - 2232 SYS 744 TIP3 H2 A 0.417000 1.0079 - 2233 SYS 745 TIP3 O1 C -0.834000 15.9994 - 2234 SYS 745 TIP3 H1 A 0.417000 1.0079 - 2235 SYS 745 TIP3 H2 A 0.417000 1.0079 - 2236 SYS 746 TIP3 O1 C -0.834000 15.9994 - 2237 SYS 746 TIP3 H1 A 0.417000 1.0079 - 2238 SYS 746 TIP3 H2 A 0.417000 1.0079 - 2239 SYS 747 TIP3 O1 C -0.834000 15.9994 - 2240 SYS 747 TIP3 H1 A 0.417000 1.0079 - 2241 SYS 747 TIP3 H2 A 0.417000 1.0079 - 2242 SYS 748 TIP3 O1 C -0.834000 15.9994 - 2243 SYS 748 TIP3 H1 A 0.417000 1.0079 - 2244 SYS 748 TIP3 H2 A 0.417000 1.0079 - 2245 SYS 749 TIP3 O1 C -0.834000 15.9994 - 2246 SYS 749 TIP3 H1 A 0.417000 1.0079 - 2247 SYS 749 TIP3 H2 A 0.417000 1.0079 - 2248 SYS 750 TIP3 O1 C -0.834000 15.9994 - 2249 SYS 750 TIP3 H1 A 0.417000 1.0079 - 2250 SYS 750 TIP3 H2 A 0.417000 1.0079 - 2251 SYS 751 TIP3 O1 C -0.834000 15.9994 - 2252 SYS 751 TIP3 H1 A 0.417000 1.0079 - 2253 SYS 751 TIP3 H2 A 0.417000 1.0079 - 2254 SYS 752 TIP3 O1 C -0.834000 15.9994 - 2255 SYS 752 TIP3 H1 A 0.417000 1.0079 - 2256 SYS 752 TIP3 H2 A 0.417000 1.0079 - 2257 SYS 753 TIP3 O1 C -0.834000 15.9994 - 2258 SYS 753 TIP3 H1 A 0.417000 1.0079 - 2259 SYS 753 TIP3 H2 A 0.417000 1.0079 - 2260 SYS 754 TIP3 O1 C -0.834000 15.9994 - 2261 SYS 754 TIP3 H1 A 0.417000 1.0079 - 2262 SYS 754 TIP3 H2 A 0.417000 1.0079 - 2263 SYS 755 TIP3 O1 C -0.834000 15.9994 - 2264 SYS 755 TIP3 H1 A 0.417000 1.0079 - 2265 SYS 755 TIP3 H2 A 0.417000 1.0079 - 2266 SYS 756 TIP3 O1 C -0.834000 15.9994 - 2267 SYS 756 TIP3 H1 A 0.417000 1.0079 - 2268 SYS 756 TIP3 H2 A 0.417000 1.0079 - 2269 SYS 757 TIP3 O1 C -0.834000 15.9994 - 2270 SYS 757 TIP3 H1 A 0.417000 1.0079 - 2271 SYS 757 TIP3 H2 A 0.417000 1.0079 - 2272 SYS 758 TIP3 O1 C -0.834000 15.9994 - 2273 SYS 758 TIP3 H1 A 0.417000 1.0079 - 2274 SYS 758 TIP3 H2 A 0.417000 1.0079 - 2275 SYS 759 TIP3 O1 C -0.834000 15.9994 - 2276 SYS 759 TIP3 H1 A 0.417000 1.0079 - 2277 SYS 759 TIP3 H2 A 0.417000 1.0079 - 2278 SYS 760 TIP3 O1 C -0.834000 15.9994 - 2279 SYS 760 TIP3 H1 A 0.417000 1.0079 - 2280 SYS 760 TIP3 H2 A 0.417000 1.0079 - 2281 SYS 761 TIP3 O1 C -0.834000 15.9994 - 2282 SYS 761 TIP3 H1 A 0.417000 1.0079 - 2283 SYS 761 TIP3 H2 A 0.417000 1.0079 - 2284 SYS 762 TIP3 O1 C -0.834000 15.9994 - 2285 SYS 762 TIP3 H1 A 0.417000 1.0079 - 2286 SYS 762 TIP3 H2 A 0.417000 1.0079 - 2287 SYS 763 TIP3 O1 C -0.834000 15.9994 - 2288 SYS 763 TIP3 H1 A 0.417000 1.0079 - 2289 SYS 763 TIP3 H2 A 0.417000 1.0079 - 2290 SYS 764 TIP3 O1 C -0.834000 15.9994 - 2291 SYS 764 TIP3 H1 A 0.417000 1.0079 - 2292 SYS 764 TIP3 H2 A 0.417000 1.0079 - 2293 SYS 765 TIP3 O1 C -0.834000 15.9994 - 2294 SYS 765 TIP3 H1 A 0.417000 1.0079 - 2295 SYS 765 TIP3 H2 A 0.417000 1.0079 - 2296 SYS 766 TIP3 O1 C -0.834000 15.9994 - 2297 SYS 766 TIP3 H1 A 0.417000 1.0079 - 2298 SYS 766 TIP3 H2 A 0.417000 1.0079 - 2299 SYS 767 TIP3 O1 C -0.834000 15.9994 - 2300 SYS 767 TIP3 H1 A 0.417000 1.0079 - 2301 SYS 767 TIP3 H2 A 0.417000 1.0079 - 2302 SYS 768 TIP3 O1 C -0.834000 15.9994 - 2303 SYS 768 TIP3 H1 A 0.417000 1.0079 - 2304 SYS 768 TIP3 H2 A 0.417000 1.0079 - 2305 SYS 769 TIP3 O1 C -0.834000 15.9994 - 2306 SYS 769 TIP3 H1 A 0.417000 1.0079 - 2307 SYS 769 TIP3 H2 A 0.417000 1.0079 - 2308 SYS 770 TIP3 O1 C -0.834000 15.9994 - 2309 SYS 770 TIP3 H1 A 0.417000 1.0079 - 2310 SYS 770 TIP3 H2 A 0.417000 1.0079 - 2311 SYS 771 TIP3 O1 C -0.834000 15.9994 - 2312 SYS 771 TIP3 H1 A 0.417000 1.0079 - 2313 SYS 771 TIP3 H2 A 0.417000 1.0079 - 2314 SYS 772 TIP3 O1 C -0.834000 15.9994 - 2315 SYS 772 TIP3 H1 A 0.417000 1.0079 - 2316 SYS 772 TIP3 H2 A 0.417000 1.0079 - 2317 SYS 773 TIP3 O1 C -0.834000 15.9994 - 2318 SYS 773 TIP3 H1 A 0.417000 1.0079 - 2319 SYS 773 TIP3 H2 A 0.417000 1.0079 - 2320 SYS 774 TIP3 O1 C -0.834000 15.9994 - 2321 SYS 774 TIP3 H1 A 0.417000 1.0079 - 2322 SYS 774 TIP3 H2 A 0.417000 1.0079 - 2323 SYS 775 TIP3 O1 C -0.834000 15.9994 - 2324 SYS 775 TIP3 H1 A 0.417000 1.0079 - 2325 SYS 775 TIP3 H2 A 0.417000 1.0079 - 2326 SYS 776 TIP3 O1 C -0.834000 15.9994 - 2327 SYS 776 TIP3 H1 A 0.417000 1.0079 - 2328 SYS 776 TIP3 H2 A 0.417000 1.0079 - 2329 SYS 777 TIP3 O1 C -0.834000 15.9994 - 2330 SYS 777 TIP3 H1 A 0.417000 1.0079 - 2331 SYS 777 TIP3 H2 A 0.417000 1.0079 - 2332 SYS 778 TIP3 O1 C -0.834000 15.9994 - 2333 SYS 778 TIP3 H1 A 0.417000 1.0079 - 2334 SYS 778 TIP3 H2 A 0.417000 1.0079 - 2335 SYS 779 TIP3 O1 C -0.834000 15.9994 - 2336 SYS 779 TIP3 H1 A 0.417000 1.0079 - 2337 SYS 779 TIP3 H2 A 0.417000 1.0079 - 2338 SYS 780 TIP3 O1 C -0.834000 15.9994 - 2339 SYS 780 TIP3 H1 A 0.417000 1.0079 - 2340 SYS 780 TIP3 H2 A 0.417000 1.0079 - 2341 SYS 781 TIP3 O1 C -0.834000 15.9994 - 2342 SYS 781 TIP3 H1 A 0.417000 1.0079 - 2343 SYS 781 TIP3 H2 A 0.417000 1.0079 - 2344 SYS 782 TIP3 O1 C -0.834000 15.9994 - 2345 SYS 782 TIP3 H1 A 0.417000 1.0079 - 2346 SYS 782 TIP3 H2 A 0.417000 1.0079 - 2347 SYS 783 TIP3 O1 C -0.834000 15.9994 - 2348 SYS 783 TIP3 H1 A 0.417000 1.0079 - 2349 SYS 783 TIP3 H2 A 0.417000 1.0079 - 2350 SYS 784 TIP3 O1 C -0.834000 15.9994 - 2351 SYS 784 TIP3 H1 A 0.417000 1.0079 - 2352 SYS 784 TIP3 H2 A 0.417000 1.0079 - 2353 SYS 785 TIP3 O1 C -0.834000 15.9994 - 2354 SYS 785 TIP3 H1 A 0.417000 1.0079 - 2355 SYS 785 TIP3 H2 A 0.417000 1.0079 - 2356 SYS 786 TIP3 O1 C -0.834000 15.9994 - 2357 SYS 786 TIP3 H1 A 0.417000 1.0079 - 2358 SYS 786 TIP3 H2 A 0.417000 1.0079 - 2359 SYS 787 TIP3 O1 C -0.834000 15.9994 - 2360 SYS 787 TIP3 H1 A 0.417000 1.0079 - 2361 SYS 787 TIP3 H2 A 0.417000 1.0079 - 2362 SYS 788 TIP3 O1 C -0.834000 15.9994 - 2363 SYS 788 TIP3 H1 A 0.417000 1.0079 - 2364 SYS 788 TIP3 H2 A 0.417000 1.0079 - 2365 SYS 789 TIP3 O1 C -0.834000 15.9994 - 2366 SYS 789 TIP3 H1 A 0.417000 1.0079 - 2367 SYS 789 TIP3 H2 A 0.417000 1.0079 - 2368 SYS 790 TIP3 O1 C -0.834000 15.9994 - 2369 SYS 790 TIP3 H1 A 0.417000 1.0079 - 2370 SYS 790 TIP3 H2 A 0.417000 1.0079 - 2371 SYS 791 TIP3 O1 C -0.834000 15.9994 - 2372 SYS 791 TIP3 H1 A 0.417000 1.0079 - 2373 SYS 791 TIP3 H2 A 0.417000 1.0079 - 2374 SYS 792 TIP3 O1 C -0.834000 15.9994 - 2375 SYS 792 TIP3 H1 A 0.417000 1.0079 - 2376 SYS 792 TIP3 H2 A 0.417000 1.0079 - 2377 SYS 793 TIP3 O1 C -0.834000 15.9994 - 2378 SYS 793 TIP3 H1 A 0.417000 1.0079 - 2379 SYS 793 TIP3 H2 A 0.417000 1.0079 - 2380 SYS 794 TIP3 O1 C -0.834000 15.9994 - 2381 SYS 794 TIP3 H1 A 0.417000 1.0079 - 2382 SYS 794 TIP3 H2 A 0.417000 1.0079 - 2383 SYS 795 TIP3 O1 C -0.834000 15.9994 - 2384 SYS 795 TIP3 H1 A 0.417000 1.0079 - 2385 SYS 795 TIP3 H2 A 0.417000 1.0079 - 2386 SYS 796 TIP3 O1 C -0.834000 15.9994 - 2387 SYS 796 TIP3 H1 A 0.417000 1.0079 - 2388 SYS 796 TIP3 H2 A 0.417000 1.0079 - 2389 SYS 797 TIP3 O1 C -0.834000 15.9994 - 2390 SYS 797 TIP3 H1 A 0.417000 1.0079 - 2391 SYS 797 TIP3 H2 A 0.417000 1.0079 - 2392 SYS 798 TIP3 O1 C -0.834000 15.9994 - 2393 SYS 798 TIP3 H1 A 0.417000 1.0079 - 2394 SYS 798 TIP3 H2 A 0.417000 1.0079 - 2395 SYS 799 TIP3 O1 C -0.834000 15.9994 - 2396 SYS 799 TIP3 H1 A 0.417000 1.0079 - 2397 SYS 799 TIP3 H2 A 0.417000 1.0079 - 2398 SYS 800 TIP3 O1 C -0.834000 15.9994 - 2399 SYS 800 TIP3 H1 A 0.417000 1.0079 - 2400 SYS 800 TIP3 H2 A 0.417000 1.0079 - 2401 SYS 801 TIP3 O1 C -0.834000 15.9994 - 2402 SYS 801 TIP3 H1 A 0.417000 1.0079 - 2403 SYS 801 TIP3 H2 A 0.417000 1.0079 - 2404 SYS 802 TIP3 O1 C -0.834000 15.9994 - 2405 SYS 802 TIP3 H1 A 0.417000 1.0079 - 2406 SYS 802 TIP3 H2 A 0.417000 1.0079 - 2407 SYS 803 TIP3 O1 C -0.834000 15.9994 - 2408 SYS 803 TIP3 H1 A 0.417000 1.0079 - 2409 SYS 803 TIP3 H2 A 0.417000 1.0079 - 2410 SYS 804 TIP3 O1 C -0.834000 15.9994 - 2411 SYS 804 TIP3 H1 A 0.417000 1.0079 - 2412 SYS 804 TIP3 H2 A 0.417000 1.0079 - 2413 SYS 805 TIP3 O1 C -0.834000 15.9994 - 2414 SYS 805 TIP3 H1 A 0.417000 1.0079 - 2415 SYS 805 TIP3 H2 A 0.417000 1.0079 - 2416 SYS 806 TIP3 O1 C -0.834000 15.9994 - 2417 SYS 806 TIP3 H1 A 0.417000 1.0079 - 2418 SYS 806 TIP3 H2 A 0.417000 1.0079 - 2419 SYS 807 TIP3 O1 C -0.834000 15.9994 - 2420 SYS 807 TIP3 H1 A 0.417000 1.0079 - 2421 SYS 807 TIP3 H2 A 0.417000 1.0079 - 2422 SYS 808 TIP3 O1 C -0.834000 15.9994 - 2423 SYS 808 TIP3 H1 A 0.417000 1.0079 - 2424 SYS 808 TIP3 H2 A 0.417000 1.0079 - 2425 SYS 809 TIP3 O1 C -0.834000 15.9994 - 2426 SYS 809 TIP3 H1 A 0.417000 1.0079 - 2427 SYS 809 TIP3 H2 A 0.417000 1.0079 - 2428 SYS 810 TIP3 O1 C -0.834000 15.9994 - 2429 SYS 810 TIP3 H1 A 0.417000 1.0079 - 2430 SYS 810 TIP3 H2 A 0.417000 1.0079 - 2431 SYS 811 TIP3 O1 C -0.834000 15.9994 - 2432 SYS 811 TIP3 H1 A 0.417000 1.0079 - 2433 SYS 811 TIP3 H2 A 0.417000 1.0079 - 2434 SYS 812 TIP3 O1 C -0.834000 15.9994 - 2435 SYS 812 TIP3 H1 A 0.417000 1.0079 - 2436 SYS 812 TIP3 H2 A 0.417000 1.0079 - 2437 SYS 813 TIP3 O1 C -0.834000 15.9994 - 2438 SYS 813 TIP3 H1 A 0.417000 1.0079 - 2439 SYS 813 TIP3 H2 A 0.417000 1.0079 - 2440 SYS 814 TIP3 O1 C -0.834000 15.9994 - 2441 SYS 814 TIP3 H1 A 0.417000 1.0079 - 2442 SYS 814 TIP3 H2 A 0.417000 1.0079 - 2443 SYS 815 TIP3 O1 C -0.834000 15.9994 - 2444 SYS 815 TIP3 H1 A 0.417000 1.0079 - 2445 SYS 815 TIP3 H2 A 0.417000 1.0079 - 2446 SYS 816 TIP3 O1 C -0.834000 15.9994 - 2447 SYS 816 TIP3 H1 A 0.417000 1.0079 - 2448 SYS 816 TIP3 H2 A 0.417000 1.0079 - 2449 SYS 817 TIP3 O1 C -0.834000 15.9994 - 2450 SYS 817 TIP3 H1 A 0.417000 1.0079 - 2451 SYS 817 TIP3 H2 A 0.417000 1.0079 - 2452 SYS 818 TIP3 O1 C -0.834000 15.9994 - 2453 SYS 818 TIP3 H1 A 0.417000 1.0079 - 2454 SYS 818 TIP3 H2 A 0.417000 1.0079 - 2455 SYS 819 TIP3 O1 C -0.834000 15.9994 - 2456 SYS 819 TIP3 H1 A 0.417000 1.0079 - 2457 SYS 819 TIP3 H2 A 0.417000 1.0079 - 2458 SYS 820 TIP3 O1 C -0.834000 15.9994 - 2459 SYS 820 TIP3 H1 A 0.417000 1.0079 - 2460 SYS 820 TIP3 H2 A 0.417000 1.0079 - 2461 SYS 821 TIP3 O1 C -0.834000 15.9994 - 2462 SYS 821 TIP3 H1 A 0.417000 1.0079 - 2463 SYS 821 TIP3 H2 A 0.417000 1.0079 - 2464 SYS 822 TIP3 O1 C -0.834000 15.9994 - 2465 SYS 822 TIP3 H1 A 0.417000 1.0079 - 2466 SYS 822 TIP3 H2 A 0.417000 1.0079 - 2467 SYS 823 TIP3 O1 C -0.834000 15.9994 - 2468 SYS 823 TIP3 H1 A 0.417000 1.0079 - 2469 SYS 823 TIP3 H2 A 0.417000 1.0079 - 2470 SYS 824 TIP3 O1 C -0.834000 15.9994 - 2471 SYS 824 TIP3 H1 A 0.417000 1.0079 - 2472 SYS 824 TIP3 H2 A 0.417000 1.0079 - 2473 SYS 825 TIP3 O1 C -0.834000 15.9994 - 2474 SYS 825 TIP3 H1 A 0.417000 1.0079 - 2475 SYS 825 TIP3 H2 A 0.417000 1.0079 - 2476 SYS 826 TIP3 O1 C -0.834000 15.9994 - 2477 SYS 826 TIP3 H1 A 0.417000 1.0079 - 2478 SYS 826 TIP3 H2 A 0.417000 1.0079 - 2479 SYS 827 TIP3 O1 C -0.834000 15.9994 - 2480 SYS 827 TIP3 H1 A 0.417000 1.0079 - 2481 SYS 827 TIP3 H2 A 0.417000 1.0079 - 2482 SYS 828 TIP3 O1 C -0.834000 15.9994 - 2483 SYS 828 TIP3 H1 A 0.417000 1.0079 - 2484 SYS 828 TIP3 H2 A 0.417000 1.0079 - 2485 SYS 829 TIP3 O1 C -0.834000 15.9994 - 2486 SYS 829 TIP3 H1 A 0.417000 1.0079 - 2487 SYS 829 TIP3 H2 A 0.417000 1.0079 - 2488 SYS 830 TIP3 O1 C -0.834000 15.9994 - 2489 SYS 830 TIP3 H1 A 0.417000 1.0079 - 2490 SYS 830 TIP3 H2 A 0.417000 1.0079 - 2491 SYS 831 TIP3 O1 C -0.834000 15.9994 - 2492 SYS 831 TIP3 H1 A 0.417000 1.0079 - 2493 SYS 831 TIP3 H2 A 0.417000 1.0079 - 2494 SYS 832 TIP3 O1 C -0.834000 15.9994 - 2495 SYS 832 TIP3 H1 A 0.417000 1.0079 - 2496 SYS 832 TIP3 H2 A 0.417000 1.0079 - 2497 SYS 833 TIP3 O1 C -0.834000 15.9994 - 2498 SYS 833 TIP3 H1 A 0.417000 1.0079 - 2499 SYS 833 TIP3 H2 A 0.417000 1.0079 - 2500 SYS 834 TIP3 O1 C -0.834000 15.9994 - 2501 SYS 834 TIP3 H1 A 0.417000 1.0079 - 2502 SYS 834 TIP3 H2 A 0.417000 1.0079 - 2503 SYS 835 TIP3 O1 C -0.834000 15.9994 - 2504 SYS 835 TIP3 H1 A 0.417000 1.0079 - 2505 SYS 835 TIP3 H2 A 0.417000 1.0079 - 2506 SYS 836 TIP3 O1 C -0.834000 15.9994 - 2507 SYS 836 TIP3 H1 A 0.417000 1.0079 - 2508 SYS 836 TIP3 H2 A 0.417000 1.0079 - 2509 SYS 837 TIP3 O1 C -0.834000 15.9994 - 2510 SYS 837 TIP3 H1 A 0.417000 1.0079 - 2511 SYS 837 TIP3 H2 A 0.417000 1.0079 - 2512 SYS 838 TIP3 O1 C -0.834000 15.9994 - 2513 SYS 838 TIP3 H1 A 0.417000 1.0079 - 2514 SYS 838 TIP3 H2 A 0.417000 1.0079 - 2515 SYS 839 TIP3 O1 C -0.834000 15.9994 - 2516 SYS 839 TIP3 H1 A 0.417000 1.0079 - 2517 SYS 839 TIP3 H2 A 0.417000 1.0079 - 2518 SYS 840 TIP3 O1 C -0.834000 15.9994 - 2519 SYS 840 TIP3 H1 A 0.417000 1.0079 - 2520 SYS 840 TIP3 H2 A 0.417000 1.0079 - 2521 SYS 841 TIP3 O1 C -0.834000 15.9994 - 2522 SYS 841 TIP3 H1 A 0.417000 1.0079 - 2523 SYS 841 TIP3 H2 A 0.417000 1.0079 - 2524 SYS 842 TIP3 O1 C -0.834000 15.9994 - 2525 SYS 842 TIP3 H1 A 0.417000 1.0079 - 2526 SYS 842 TIP3 H2 A 0.417000 1.0079 - 2527 SYS 843 TIP3 O1 C -0.834000 15.9994 - 2528 SYS 843 TIP3 H1 A 0.417000 1.0079 - 2529 SYS 843 TIP3 H2 A 0.417000 1.0079 - 2530 SYS 844 TIP3 O1 C -0.834000 15.9994 - 2531 SYS 844 TIP3 H1 A 0.417000 1.0079 - 2532 SYS 844 TIP3 H2 A 0.417000 1.0079 - 2533 SYS 845 TIP3 O1 C -0.834000 15.9994 - 2534 SYS 845 TIP3 H1 A 0.417000 1.0079 - 2535 SYS 845 TIP3 H2 A 0.417000 1.0079 - 2536 SYS 846 TIP3 O1 C -0.834000 15.9994 - 2537 SYS 846 TIP3 H1 A 0.417000 1.0079 - 2538 SYS 846 TIP3 H2 A 0.417000 1.0079 - 2539 SYS 847 TIP3 O1 C -0.834000 15.9994 - 2540 SYS 847 TIP3 H1 A 0.417000 1.0079 - 2541 SYS 847 TIP3 H2 A 0.417000 1.0079 - 2542 SYS 848 TIP3 O1 C -0.834000 15.9994 - 2543 SYS 848 TIP3 H1 A 0.417000 1.0079 - 2544 SYS 848 TIP3 H2 A 0.417000 1.0079 - 2545 SYS 849 TIP3 O1 C -0.834000 15.9994 - 2546 SYS 849 TIP3 H1 A 0.417000 1.0079 - 2547 SYS 849 TIP3 H2 A 0.417000 1.0079 - 2548 SYS 850 TIP3 O1 C -0.834000 15.9994 - 2549 SYS 850 TIP3 H1 A 0.417000 1.0079 - 2550 SYS 850 TIP3 H2 A 0.417000 1.0079 - 2551 SYS 851 TIP3 O1 C -0.834000 15.9994 - 2552 SYS 851 TIP3 H1 A 0.417000 1.0079 - 2553 SYS 851 TIP3 H2 A 0.417000 1.0079 - 2554 SYS 852 TIP3 O1 C -0.834000 15.9994 - 2555 SYS 852 TIP3 H1 A 0.417000 1.0079 - 2556 SYS 852 TIP3 H2 A 0.417000 1.0079 - 2557 SYS 853 TIP3 O1 C -0.834000 15.9994 - 2558 SYS 853 TIP3 H1 A 0.417000 1.0079 - 2559 SYS 853 TIP3 H2 A 0.417000 1.0079 - 2560 SYS 854 TIP3 O1 C -0.834000 15.9994 - 2561 SYS 854 TIP3 H1 A 0.417000 1.0079 - 2562 SYS 854 TIP3 H2 A 0.417000 1.0079 - 2563 SYS 855 TIP3 O1 C -0.834000 15.9994 - 2564 SYS 855 TIP3 H1 A 0.417000 1.0079 - 2565 SYS 855 TIP3 H2 A 0.417000 1.0079 - 2566 SYS 856 TIP3 O1 C -0.834000 15.9994 - 2567 SYS 856 TIP3 H1 A 0.417000 1.0079 - 2568 SYS 856 TIP3 H2 A 0.417000 1.0079 - 2569 SYS 857 TIP3 O1 C -0.834000 15.9994 - 2570 SYS 857 TIP3 H1 A 0.417000 1.0079 - 2571 SYS 857 TIP3 H2 A 0.417000 1.0079 - 2572 SYS 858 TIP3 O1 C -0.834000 15.9994 - 2573 SYS 858 TIP3 H1 A 0.417000 1.0079 - 2574 SYS 858 TIP3 H2 A 0.417000 1.0079 - 2575 SYS 859 TIP3 O1 C -0.834000 15.9994 - 2576 SYS 859 TIP3 H1 A 0.417000 1.0079 - 2577 SYS 859 TIP3 H2 A 0.417000 1.0079 - 2578 SYS 860 TIP3 O1 C -0.834000 15.9994 - 2579 SYS 860 TIP3 H1 A 0.417000 1.0079 - 2580 SYS 860 TIP3 H2 A 0.417000 1.0079 - 2581 SYS 861 TIP3 O1 C -0.834000 15.9994 - 2582 SYS 861 TIP3 H1 A 0.417000 1.0079 - 2583 SYS 861 TIP3 H2 A 0.417000 1.0079 - 2584 SYS 862 TIP3 O1 C -0.834000 15.9994 - 2585 SYS 862 TIP3 H1 A 0.417000 1.0079 - 2586 SYS 862 TIP3 H2 A 0.417000 1.0079 - 2587 SYS 863 TIP3 O1 C -0.834000 15.9994 - 2588 SYS 863 TIP3 H1 A 0.417000 1.0079 - 2589 SYS 863 TIP3 H2 A 0.417000 1.0079 - 2590 SYS 864 TIP3 O1 C -0.834000 15.9994 - 2591 SYS 864 TIP3 H1 A 0.417000 1.0079 - 2592 SYS 864 TIP3 H2 A 0.417000 1.0079 - 2593 SYS 865 TIP3 O1 C -0.834000 15.9994 - 2594 SYS 865 TIP3 H1 A 0.417000 1.0079 - 2595 SYS 865 TIP3 H2 A 0.417000 1.0079 - 2596 SYS 866 TIP3 O1 C -0.834000 15.9994 - 2597 SYS 866 TIP3 H1 A 0.417000 1.0079 - 2598 SYS 866 TIP3 H2 A 0.417000 1.0079 - 2599 SYS 867 TIP3 O1 C -0.834000 15.9994 - 2600 SYS 867 TIP3 H1 A 0.417000 1.0079 - 2601 SYS 867 TIP3 H2 A 0.417000 1.0079 - 2602 SYS 868 TIP3 O1 C -0.834000 15.9994 - 2603 SYS 868 TIP3 H1 A 0.417000 1.0079 - 2604 SYS 868 TIP3 H2 A 0.417000 1.0079 - 2605 SYS 869 TIP3 O1 C -0.834000 15.9994 - 2606 SYS 869 TIP3 H1 A 0.417000 1.0079 - 2607 SYS 869 TIP3 H2 A 0.417000 1.0079 - 2608 SYS 870 TIP3 O1 C -0.834000 15.9994 - 2609 SYS 870 TIP3 H1 A 0.417000 1.0079 - 2610 SYS 870 TIP3 H2 A 0.417000 1.0079 - 2611 SYS 871 TIP3 O1 C -0.834000 15.9994 - 2612 SYS 871 TIP3 H1 A 0.417000 1.0079 - 2613 SYS 871 TIP3 H2 A 0.417000 1.0079 - 2614 SYS 872 TIP3 O1 C -0.834000 15.9994 - 2615 SYS 872 TIP3 H1 A 0.417000 1.0079 - 2616 SYS 872 TIP3 H2 A 0.417000 1.0079 - 2617 SYS 873 TIP3 O1 C -0.834000 15.9994 - 2618 SYS 873 TIP3 H1 A 0.417000 1.0079 - 2619 SYS 873 TIP3 H2 A 0.417000 1.0079 - 2620 SYS 874 TIP3 O1 C -0.834000 15.9994 - 2621 SYS 874 TIP3 H1 A 0.417000 1.0079 - 2622 SYS 874 TIP3 H2 A 0.417000 1.0079 - 2623 SYS 875 TIP3 O1 C -0.834000 15.9994 - 2624 SYS 875 TIP3 H1 A 0.417000 1.0079 - 2625 SYS 875 TIP3 H2 A 0.417000 1.0079 - 2626 SYS 876 TIP3 O1 C -0.834000 15.9994 - 2627 SYS 876 TIP3 H1 A 0.417000 1.0079 - 2628 SYS 876 TIP3 H2 A 0.417000 1.0079 - 2629 SYS 877 TIP3 O1 C -0.834000 15.9994 - 2630 SYS 877 TIP3 H1 A 0.417000 1.0079 - 2631 SYS 877 TIP3 H2 A 0.417000 1.0079 - 2632 SYS 878 TIP3 O1 C -0.834000 15.9994 - 2633 SYS 878 TIP3 H1 A 0.417000 1.0079 - 2634 SYS 878 TIP3 H2 A 0.417000 1.0079 - 2635 SYS 879 TIP3 O1 C -0.834000 15.9994 - 2636 SYS 879 TIP3 H1 A 0.417000 1.0079 - 2637 SYS 879 TIP3 H2 A 0.417000 1.0079 - 2638 SYS 880 TIP3 O1 C -0.834000 15.9994 - 2639 SYS 880 TIP3 H1 A 0.417000 1.0079 - 2640 SYS 880 TIP3 H2 A 0.417000 1.0079 - 2641 SYS 881 TIP3 O1 C -0.834000 15.9994 - 2642 SYS 881 TIP3 H1 A 0.417000 1.0079 - 2643 SYS 881 TIP3 H2 A 0.417000 1.0079 - 2644 SYS 882 TIP3 O1 C -0.834000 15.9994 - 2645 SYS 882 TIP3 H1 A 0.417000 1.0079 - 2646 SYS 882 TIP3 H2 A 0.417000 1.0079 - 2647 SYS 883 TIP3 O1 C -0.834000 15.9994 - 2648 SYS 883 TIP3 H1 A 0.417000 1.0079 - 2649 SYS 883 TIP3 H2 A 0.417000 1.0079 - 2650 SYS 884 TIP3 O1 C -0.834000 15.9994 - 2651 SYS 884 TIP3 H1 A 0.417000 1.0079 - 2652 SYS 884 TIP3 H2 A 0.417000 1.0079 - 2653 SYS 885 TIP3 O1 C -0.834000 15.9994 - 2654 SYS 885 TIP3 H1 A 0.417000 1.0079 - 2655 SYS 885 TIP3 H2 A 0.417000 1.0079 - 2656 SYS 886 TIP3 O1 C -0.834000 15.9994 - 2657 SYS 886 TIP3 H1 A 0.417000 1.0079 - 2658 SYS 886 TIP3 H2 A 0.417000 1.0079 - 2659 SYS 887 TIP3 O1 C -0.834000 15.9994 - 2660 SYS 887 TIP3 H1 A 0.417000 1.0079 - 2661 SYS 887 TIP3 H2 A 0.417000 1.0079 - 2662 SYS 888 TIP3 O1 C -0.834000 15.9994 - 2663 SYS 888 TIP3 H1 A 0.417000 1.0079 - 2664 SYS 888 TIP3 H2 A 0.417000 1.0079 - 2665 SYS 889 TIP3 O1 C -0.834000 15.9994 - 2666 SYS 889 TIP3 H1 A 0.417000 1.0079 - 2667 SYS 889 TIP3 H2 A 0.417000 1.0079 - 2668 SYS 890 TIP3 O1 C -0.834000 15.9994 - 2669 SYS 890 TIP3 H1 A 0.417000 1.0079 - 2670 SYS 890 TIP3 H2 A 0.417000 1.0079 - 2671 SYS 891 TIP3 O1 C -0.834000 15.9994 - 2672 SYS 891 TIP3 H1 A 0.417000 1.0079 - 2673 SYS 891 TIP3 H2 A 0.417000 1.0079 - 2674 SYS 892 TIP3 O1 C -0.834000 15.9994 - 2675 SYS 892 TIP3 H1 A 0.417000 1.0079 - 2676 SYS 892 TIP3 H2 A 0.417000 1.0079 - 2677 SYS 893 TIP3 O1 C -0.834000 15.9994 - 2678 SYS 893 TIP3 H1 A 0.417000 1.0079 - 2679 SYS 893 TIP3 H2 A 0.417000 1.0079 - 2680 SYS 894 TIP3 O1 C -0.834000 15.9994 - 2681 SYS 894 TIP3 H1 A 0.417000 1.0079 - 2682 SYS 894 TIP3 H2 A 0.417000 1.0079 - 2683 SYS 895 TIP3 O1 C -0.834000 15.9994 - 2684 SYS 895 TIP3 H1 A 0.417000 1.0079 - 2685 SYS 895 TIP3 H2 A 0.417000 1.0079 - 2686 SYS 896 TIP3 O1 C -0.834000 15.9994 - 2687 SYS 896 TIP3 H1 A 0.417000 1.0079 - 2688 SYS 896 TIP3 H2 A 0.417000 1.0079 - 2689 SYS 897 TIP3 O1 C -0.834000 15.9994 - 2690 SYS 897 TIP3 H1 A 0.417000 1.0079 - 2691 SYS 897 TIP3 H2 A 0.417000 1.0079 - 2692 SYS 898 TIP3 O1 C -0.834000 15.9994 - 2693 SYS 898 TIP3 H1 A 0.417000 1.0079 - 2694 SYS 898 TIP3 H2 A 0.417000 1.0079 - 2695 SYS 899 TIP3 O1 C -0.834000 15.9994 - 2696 SYS 899 TIP3 H1 A 0.417000 1.0079 - 2697 SYS 899 TIP3 H2 A 0.417000 1.0079 - 2698 SYS 900 TIP3 O1 C -0.834000 15.9994 - 2699 SYS 900 TIP3 H1 A 0.417000 1.0079 - 2700 SYS 900 TIP3 H2 A 0.417000 1.0079 - 2701 SYS 901 TIP3 O1 C -0.834000 15.9994 - 2702 SYS 901 TIP3 H1 A 0.417000 1.0079 - 2703 SYS 901 TIP3 H2 A 0.417000 1.0079 - 2704 SYS 902 TIP3 O1 C -0.834000 15.9994 - 2705 SYS 902 TIP3 H1 A 0.417000 1.0079 - 2706 SYS 902 TIP3 H2 A 0.417000 1.0079 - 2707 SYS 903 TIP3 O1 C -0.834000 15.9994 - 2708 SYS 903 TIP3 H1 A 0.417000 1.0079 - 2709 SYS 903 TIP3 H2 A 0.417000 1.0079 - 2710 SYS 904 TIP3 O1 C -0.834000 15.9994 - 2711 SYS 904 TIP3 H1 A 0.417000 1.0079 - 2712 SYS 904 TIP3 H2 A 0.417000 1.0079 - 2713 SYS 905 TIP3 O1 C -0.834000 15.9994 - 2714 SYS 905 TIP3 H1 A 0.417000 1.0079 - 2715 SYS 905 TIP3 H2 A 0.417000 1.0079 - 2716 SYS 906 TIP3 O1 C -0.834000 15.9994 - 2717 SYS 906 TIP3 H1 A 0.417000 1.0079 - 2718 SYS 906 TIP3 H2 A 0.417000 1.0079 - 2719 SYS 907 TIP3 O1 C -0.834000 15.9994 - 2720 SYS 907 TIP3 H1 A 0.417000 1.0079 - 2721 SYS 907 TIP3 H2 A 0.417000 1.0079 - 2722 SYS 908 TIP3 O1 C -0.834000 15.9994 - 2723 SYS 908 TIP3 H1 A 0.417000 1.0079 - 2724 SYS 908 TIP3 H2 A 0.417000 1.0079 - 2725 SYS 909 TIP3 O1 C -0.834000 15.9994 - 2726 SYS 909 TIP3 H1 A 0.417000 1.0079 - 2727 SYS 909 TIP3 H2 A 0.417000 1.0079 - 2728 SYS 910 TIP3 O1 C -0.834000 15.9994 - 2729 SYS 910 TIP3 H1 A 0.417000 1.0079 - 2730 SYS 910 TIP3 H2 A 0.417000 1.0079 - 2731 SYS 911 TIP3 O1 C -0.834000 15.9994 - 2732 SYS 911 TIP3 H1 A 0.417000 1.0079 - 2733 SYS 911 TIP3 H2 A 0.417000 1.0079 - 2734 SYS 912 TIP3 O1 C -0.834000 15.9994 - 2735 SYS 912 TIP3 H1 A 0.417000 1.0079 - 2736 SYS 912 TIP3 H2 A 0.417000 1.0079 - 2737 SYS 913 TIP3 O1 C -0.834000 15.9994 - 2738 SYS 913 TIP3 H1 A 0.417000 1.0079 - 2739 SYS 913 TIP3 H2 A 0.417000 1.0079 - 2740 SYS 914 TIP3 O1 C -0.834000 15.9994 - 2741 SYS 914 TIP3 H1 A 0.417000 1.0079 - 2742 SYS 914 TIP3 H2 A 0.417000 1.0079 - 2743 SYS 915 TIP3 O1 C -0.834000 15.9994 - 2744 SYS 915 TIP3 H1 A 0.417000 1.0079 - 2745 SYS 915 TIP3 H2 A 0.417000 1.0079 - 2746 SYS 916 TIP3 O1 C -0.834000 15.9994 - 2747 SYS 916 TIP3 H1 A 0.417000 1.0079 - 2748 SYS 916 TIP3 H2 A 0.417000 1.0079 - 2749 SYS 917 TIP3 O1 C -0.834000 15.9994 - 2750 SYS 917 TIP3 H1 A 0.417000 1.0079 - 2751 SYS 917 TIP3 H2 A 0.417000 1.0079 - 2752 SYS 918 TIP3 O1 C -0.834000 15.9994 - 2753 SYS 918 TIP3 H1 A 0.417000 1.0079 - 2754 SYS 918 TIP3 H2 A 0.417000 1.0079 - 2755 SYS 919 TIP3 O1 C -0.834000 15.9994 - 2756 SYS 919 TIP3 H1 A 0.417000 1.0079 - 2757 SYS 919 TIP3 H2 A 0.417000 1.0079 - 2758 SYS 920 TIP3 O1 C -0.834000 15.9994 - 2759 SYS 920 TIP3 H1 A 0.417000 1.0079 - 2760 SYS 920 TIP3 H2 A 0.417000 1.0079 - 2761 SYS 921 TIP3 O1 C -0.834000 15.9994 - 2762 SYS 921 TIP3 H1 A 0.417000 1.0079 - 2763 SYS 921 TIP3 H2 A 0.417000 1.0079 - 2764 SYS 922 TIP3 O1 C -0.834000 15.9994 - 2765 SYS 922 TIP3 H1 A 0.417000 1.0079 - 2766 SYS 922 TIP3 H2 A 0.417000 1.0079 - 2767 SYS 923 TIP3 O1 C -0.834000 15.9994 - 2768 SYS 923 TIP3 H1 A 0.417000 1.0079 - 2769 SYS 923 TIP3 H2 A 0.417000 1.0079 - 2770 SYS 924 TIP3 O1 C -0.834000 15.9994 - 2771 SYS 924 TIP3 H1 A 0.417000 1.0079 - 2772 SYS 924 TIP3 H2 A 0.417000 1.0079 - 2773 SYS 925 TIP3 O1 C -0.834000 15.9994 - 2774 SYS 925 TIP3 H1 A 0.417000 1.0079 - 2775 SYS 925 TIP3 H2 A 0.417000 1.0079 - 2776 SYS 926 TIP3 O1 C -0.834000 15.9994 - 2777 SYS 926 TIP3 H1 A 0.417000 1.0079 - 2778 SYS 926 TIP3 H2 A 0.417000 1.0079 - 2779 SYS 927 TIP3 O1 C -0.834000 15.9994 - 2780 SYS 927 TIP3 H1 A 0.417000 1.0079 - 2781 SYS 927 TIP3 H2 A 0.417000 1.0079 - 2782 SYS 928 TIP3 O1 C -0.834000 15.9994 - 2783 SYS 928 TIP3 H1 A 0.417000 1.0079 - 2784 SYS 928 TIP3 H2 A 0.417000 1.0079 - 2785 SYS 929 TIP3 O1 C -0.834000 15.9994 - 2786 SYS 929 TIP3 H1 A 0.417000 1.0079 - 2787 SYS 929 TIP3 H2 A 0.417000 1.0079 - 2788 SYS 930 TIP3 O1 C -0.834000 15.9994 - 2789 SYS 930 TIP3 H1 A 0.417000 1.0079 - 2790 SYS 930 TIP3 H2 A 0.417000 1.0079 - 2791 SYS 931 TIP3 O1 C -0.834000 15.9994 - 2792 SYS 931 TIP3 H1 A 0.417000 1.0079 - 2793 SYS 931 TIP3 H2 A 0.417000 1.0079 - 2794 SYS 932 TIP3 O1 C -0.834000 15.9994 - 2795 SYS 932 TIP3 H1 A 0.417000 1.0079 - 2796 SYS 932 TIP3 H2 A 0.417000 1.0079 - 2797 SYS 933 TIP3 O1 C -0.834000 15.9994 - 2798 SYS 933 TIP3 H1 A 0.417000 1.0079 - 2799 SYS 933 TIP3 H2 A 0.417000 1.0079 - 2800 SYS 934 TIP3 O1 C -0.834000 15.9994 - 2801 SYS 934 TIP3 H1 A 0.417000 1.0079 - 2802 SYS 934 TIP3 H2 A 0.417000 1.0079 - 2803 SYS 935 TIP3 O1 C -0.834000 15.9994 - 2804 SYS 935 TIP3 H1 A 0.417000 1.0079 - 2805 SYS 935 TIP3 H2 A 0.417000 1.0079 - 2806 SYS 936 TIP3 O1 C -0.834000 15.9994 - 2807 SYS 936 TIP3 H1 A 0.417000 1.0079 - 2808 SYS 936 TIP3 H2 A 0.417000 1.0079 - 2809 SYS 937 TIP3 O1 C -0.834000 15.9994 - 2810 SYS 937 TIP3 H1 A 0.417000 1.0079 - 2811 SYS 937 TIP3 H2 A 0.417000 1.0079 - 2812 SYS 938 TIP3 O1 C -0.834000 15.9994 - 2813 SYS 938 TIP3 H1 A 0.417000 1.0079 - 2814 SYS 938 TIP3 H2 A 0.417000 1.0079 - 2815 SYS 939 TIP3 O1 C -0.834000 15.9994 - 2816 SYS 939 TIP3 H1 A 0.417000 1.0079 - 2817 SYS 939 TIP3 H2 A 0.417000 1.0079 - 2818 SYS 940 TIP3 O1 C -0.834000 15.9994 - 2819 SYS 940 TIP3 H1 A 0.417000 1.0079 - 2820 SYS 940 TIP3 H2 A 0.417000 1.0079 - 2821 SYS 941 TIP3 O1 C -0.834000 15.9994 - 2822 SYS 941 TIP3 H1 A 0.417000 1.0079 - 2823 SYS 941 TIP3 H2 A 0.417000 1.0079 - 2824 SYS 942 TIP3 O1 C -0.834000 15.9994 - 2825 SYS 942 TIP3 H1 A 0.417000 1.0079 - 2826 SYS 942 TIP3 H2 A 0.417000 1.0079 - 2827 SYS 943 TIP3 O1 C -0.834000 15.9994 - 2828 SYS 943 TIP3 H1 A 0.417000 1.0079 - 2829 SYS 943 TIP3 H2 A 0.417000 1.0079 - 2830 SYS 944 TIP3 O1 C -0.834000 15.9994 - 2831 SYS 944 TIP3 H1 A 0.417000 1.0079 - 2832 SYS 944 TIP3 H2 A 0.417000 1.0079 - 2833 SYS 945 TIP3 O1 C -0.834000 15.9994 - 2834 SYS 945 TIP3 H1 A 0.417000 1.0079 - 2835 SYS 945 TIP3 H2 A 0.417000 1.0079 - 2836 SYS 946 TIP3 O1 C -0.834000 15.9994 - 2837 SYS 946 TIP3 H1 A 0.417000 1.0079 - 2838 SYS 946 TIP3 H2 A 0.417000 1.0079 - 2839 SYS 947 TIP3 O1 C -0.834000 15.9994 - 2840 SYS 947 TIP3 H1 A 0.417000 1.0079 - 2841 SYS 947 TIP3 H2 A 0.417000 1.0079 - 2842 SYS 948 TIP3 O1 C -0.834000 15.9994 - 2843 SYS 948 TIP3 H1 A 0.417000 1.0079 - 2844 SYS 948 TIP3 H2 A 0.417000 1.0079 - 2845 SYS 949 TIP3 O1 C -0.834000 15.9994 - 2846 SYS 949 TIP3 H1 A 0.417000 1.0079 - 2847 SYS 949 TIP3 H2 A 0.417000 1.0079 - 2848 SYS 950 TIP3 O1 C -0.834000 15.9994 - 2849 SYS 950 TIP3 H1 A 0.417000 1.0079 - 2850 SYS 950 TIP3 H2 A 0.417000 1.0079 - 2851 SYS 951 TIP3 O1 C -0.834000 15.9994 - 2852 SYS 951 TIP3 H1 A 0.417000 1.0079 - 2853 SYS 951 TIP3 H2 A 0.417000 1.0079 - 2854 SYS 952 TIP3 O1 C -0.834000 15.9994 - 2855 SYS 952 TIP3 H1 A 0.417000 1.0079 - 2856 SYS 952 TIP3 H2 A 0.417000 1.0079 - 2857 SYS 953 TIP3 O1 C -0.834000 15.9994 - 2858 SYS 953 TIP3 H1 A 0.417000 1.0079 - 2859 SYS 953 TIP3 H2 A 0.417000 1.0079 - 2860 SYS 954 TIP3 O1 C -0.834000 15.9994 - 2861 SYS 954 TIP3 H1 A 0.417000 1.0079 - 2862 SYS 954 TIP3 H2 A 0.417000 1.0079 - 2863 SYS 955 TIP3 O1 C -0.834000 15.9994 - 2864 SYS 955 TIP3 H1 A 0.417000 1.0079 - 2865 SYS 955 TIP3 H2 A 0.417000 1.0079 - 2866 SYS 956 TIP3 O1 C -0.834000 15.9994 - 2867 SYS 956 TIP3 H1 A 0.417000 1.0079 - 2868 SYS 956 TIP3 H2 A 0.417000 1.0079 - 2869 SYS 957 TIP3 O1 C -0.834000 15.9994 - 2870 SYS 957 TIP3 H1 A 0.417000 1.0079 - 2871 SYS 957 TIP3 H2 A 0.417000 1.0079 - 2872 SYS 958 TIP3 O1 C -0.834000 15.9994 - 2873 SYS 958 TIP3 H1 A 0.417000 1.0079 - 2874 SYS 958 TIP3 H2 A 0.417000 1.0079 - 2875 SYS 959 TIP3 O1 C -0.834000 15.9994 - 2876 SYS 959 TIP3 H1 A 0.417000 1.0079 - 2877 SYS 959 TIP3 H2 A 0.417000 1.0079 - 2878 SYS 960 TIP3 O1 C -0.834000 15.9994 - 2879 SYS 960 TIP3 H1 A 0.417000 1.0079 - 2880 SYS 960 TIP3 H2 A 0.417000 1.0079 - 2881 SYS 961 TIP3 O1 C -0.834000 15.9994 - 2882 SYS 961 TIP3 H1 A 0.417000 1.0079 - 2883 SYS 961 TIP3 H2 A 0.417000 1.0079 - 2884 SYS 962 TIP3 O1 C -0.834000 15.9994 - 2885 SYS 962 TIP3 H1 A 0.417000 1.0079 - 2886 SYS 962 TIP3 H2 A 0.417000 1.0079 - 2887 SYS 963 TIP3 O1 C -0.834000 15.9994 - 2888 SYS 963 TIP3 H1 A 0.417000 1.0079 - 2889 SYS 963 TIP3 H2 A 0.417000 1.0079 - 2890 SYS 964 TIP3 O1 C -0.834000 15.9994 - 2891 SYS 964 TIP3 H1 A 0.417000 1.0079 - 2892 SYS 964 TIP3 H2 A 0.417000 1.0079 - 2893 SYS 965 TIP3 O1 C -0.834000 15.9994 - 2894 SYS 965 TIP3 H1 A 0.417000 1.0079 - 2895 SYS 965 TIP3 H2 A 0.417000 1.0079 - 2896 SYS 966 TIP3 O1 C -0.834000 15.9994 - 2897 SYS 966 TIP3 H1 A 0.417000 1.0079 - 2898 SYS 966 TIP3 H2 A 0.417000 1.0079 - 2899 SYS 967 TIP3 O1 C -0.834000 15.9994 - 2900 SYS 967 TIP3 H1 A 0.417000 1.0079 - 2901 SYS 967 TIP3 H2 A 0.417000 1.0079 - 2902 SYS 968 TIP3 O1 C -0.834000 15.9994 - 2903 SYS 968 TIP3 H1 A 0.417000 1.0079 - 2904 SYS 968 TIP3 H2 A 0.417000 1.0079 - 2905 SYS 969 TIP3 O1 C -0.834000 15.9994 - 2906 SYS 969 TIP3 H1 A 0.417000 1.0079 - 2907 SYS 969 TIP3 H2 A 0.417000 1.0079 - 2908 SYS 970 TIP3 O1 C -0.834000 15.9994 - 2909 SYS 970 TIP3 H1 A 0.417000 1.0079 - 2910 SYS 970 TIP3 H2 A 0.417000 1.0079 - 2911 SYS 971 TIP3 O1 C -0.834000 15.9994 - 2912 SYS 971 TIP3 H1 A 0.417000 1.0079 - 2913 SYS 971 TIP3 H2 A 0.417000 1.0079 - 2914 SYS 972 TIP3 O1 C -0.834000 15.9994 - 2915 SYS 972 TIP3 H1 A 0.417000 1.0079 - 2916 SYS 972 TIP3 H2 A 0.417000 1.0079 - 2917 SYS 973 TIP3 O1 C -0.834000 15.9994 - 2918 SYS 973 TIP3 H1 A 0.417000 1.0079 - 2919 SYS 973 TIP3 H2 A 0.417000 1.0079 - 2920 SYS 974 TIP3 O1 C -0.834000 15.9994 - 2921 SYS 974 TIP3 H1 A 0.417000 1.0079 - 2922 SYS 974 TIP3 H2 A 0.417000 1.0079 - 2923 SYS 975 TIP3 O1 C -0.834000 15.9994 - 2924 SYS 975 TIP3 H1 A 0.417000 1.0079 - 2925 SYS 975 TIP3 H2 A 0.417000 1.0079 - 2926 SYS 976 TIP3 O1 C -0.834000 15.9994 - 2927 SYS 976 TIP3 H1 A 0.417000 1.0079 - 2928 SYS 976 TIP3 H2 A 0.417000 1.0079 - 2929 SYS 977 TIP3 O1 C -0.834000 15.9994 - 2930 SYS 977 TIP3 H1 A 0.417000 1.0079 - 2931 SYS 977 TIP3 H2 A 0.417000 1.0079 - 2932 SYS 978 TIP3 O1 C -0.834000 15.9994 - 2933 SYS 978 TIP3 H1 A 0.417000 1.0079 - 2934 SYS 978 TIP3 H2 A 0.417000 1.0079 - 2935 SYS 979 TIP3 O1 C -0.834000 15.9994 - 2936 SYS 979 TIP3 H1 A 0.417000 1.0079 - 2937 SYS 979 TIP3 H2 A 0.417000 1.0079 - 2938 SYS 980 TIP3 O1 C -0.834000 15.9994 - 2939 SYS 980 TIP3 H1 A 0.417000 1.0079 - 2940 SYS 980 TIP3 H2 A 0.417000 1.0079 - 2941 SYS 981 TIP3 O1 C -0.834000 15.9994 - 2942 SYS 981 TIP3 H1 A 0.417000 1.0079 - 2943 SYS 981 TIP3 H2 A 0.417000 1.0079 - 2944 SYS 982 TIP3 O1 C -0.834000 15.9994 - 2945 SYS 982 TIP3 H1 A 0.417000 1.0079 - 2946 SYS 982 TIP3 H2 A 0.417000 1.0079 - 2947 SYS 983 TIP3 O1 C -0.834000 15.9994 - 2948 SYS 983 TIP3 H1 A 0.417000 1.0079 - 2949 SYS 983 TIP3 H2 A 0.417000 1.0079 - 2950 SYS 984 TIP3 O1 C -0.834000 15.9994 - 2951 SYS 984 TIP3 H1 A 0.417000 1.0079 - 2952 SYS 984 TIP3 H2 A 0.417000 1.0079 - 2953 SYS 985 TIP3 O1 C -0.834000 15.9994 - 2954 SYS 985 TIP3 H1 A 0.417000 1.0079 - 2955 SYS 985 TIP3 H2 A 0.417000 1.0079 - 2956 SYS 986 TIP3 O1 C -0.834000 15.9994 - 2957 SYS 986 TIP3 H1 A 0.417000 1.0079 - 2958 SYS 986 TIP3 H2 A 0.417000 1.0079 - 2959 SYS 987 TIP3 O1 C -0.834000 15.9994 - 2960 SYS 987 TIP3 H1 A 0.417000 1.0079 - 2961 SYS 987 TIP3 H2 A 0.417000 1.0079 - 2962 SYS 988 TIP3 O1 C -0.834000 15.9994 - 2963 SYS 988 TIP3 H1 A 0.417000 1.0079 - 2964 SYS 988 TIP3 H2 A 0.417000 1.0079 - 2965 SYS 989 TIP3 O1 C -0.834000 15.9994 - 2966 SYS 989 TIP3 H1 A 0.417000 1.0079 - 2967 SYS 989 TIP3 H2 A 0.417000 1.0079 - 2968 SYS 990 TIP3 O1 C -0.834000 15.9994 - 2969 SYS 990 TIP3 H1 A 0.417000 1.0079 - 2970 SYS 990 TIP3 H2 A 0.417000 1.0079 - 2971 SYS 991 TIP3 O1 C -0.834000 15.9994 - 2972 SYS 991 TIP3 H1 A 0.417000 1.0079 - 2973 SYS 991 TIP3 H2 A 0.417000 1.0079 - 2974 SYS 992 TIP3 O1 C -0.834000 15.9994 - 2975 SYS 992 TIP3 H1 A 0.417000 1.0079 - 2976 SYS 992 TIP3 H2 A 0.417000 1.0079 - 2977 SYS 993 TIP3 O1 C -0.834000 15.9994 - 2978 SYS 993 TIP3 H1 A 0.417000 1.0079 - 2979 SYS 993 TIP3 H2 A 0.417000 1.0079 - 2980 SYS 994 TIP3 O1 C -0.834000 15.9994 - 2981 SYS 994 TIP3 H1 A 0.417000 1.0079 - 2982 SYS 994 TIP3 H2 A 0.417000 1.0079 - 2983 SYS 995 TIP3 O1 C -0.834000 15.9994 - 2984 SYS 995 TIP3 H1 A 0.417000 1.0079 - 2985 SYS 995 TIP3 H2 A 0.417000 1.0079 - 2986 SYS 996 TIP3 O1 C -0.834000 15.9994 - 2987 SYS 996 TIP3 H1 A 0.417000 1.0079 - 2988 SYS 996 TIP3 H2 A 0.417000 1.0079 - 2989 SYS 997 TIP3 O1 C -0.834000 15.9994 - 2990 SYS 997 TIP3 H1 A 0.417000 1.0079 - 2991 SYS 997 TIP3 H2 A 0.417000 1.0079 - 2992 SYS 998 TIP3 O1 C -0.834000 15.9994 - 2993 SYS 998 TIP3 H1 A 0.417000 1.0079 - 2994 SYS 998 TIP3 H2 A 0.417000 1.0079 - 2995 SYS 999 TIP3 O1 C -0.834000 15.9994 - 2996 SYS 999 TIP3 H1 A 0.417000 1.0079 - 2997 SYS 999 TIP3 H2 A 0.417000 1.0079 - 2998 SYS 1000 TIP3 O1 C -0.834000 15.9994 - 2999 SYS 1000 TIP3 H1 A 0.417000 1.0079 - 3000 SYS 1000 TIP3 H2 A 0.417000 1.0079 - 3001 SYS 1001 TIP3 O1 C -0.834000 15.9994 - 3002 SYS 1001 TIP3 H1 A 0.417000 1.0079 - 3003 SYS 1001 TIP3 H2 A 0.417000 1.0079 - 3004 SYS 1002 TIP3 O1 C -0.834000 15.9994 - 3005 SYS 1002 TIP3 H1 A 0.417000 1.0079 - 3006 SYS 1002 TIP3 H2 A 0.417000 1.0079 - 3007 SYS 1003 TIP3 O1 C -0.834000 15.9994 - 3008 SYS 1003 TIP3 H1 A 0.417000 1.0079 - 3009 SYS 1003 TIP3 H2 A 0.417000 1.0079 - 3010 SYS 1004 TIP3 O1 C -0.834000 15.9994 - 3011 SYS 1004 TIP3 H1 A 0.417000 1.0079 - 3012 SYS 1004 TIP3 H2 A 0.417000 1.0079 - 3013 SYS 1005 TIP3 O1 C -0.834000 15.9994 - 3014 SYS 1005 TIP3 H1 A 0.417000 1.0079 - 3015 SYS 1005 TIP3 H2 A 0.417000 1.0079 - 3016 SYS 1006 TIP3 O1 C -0.834000 15.9994 - 3017 SYS 1006 TIP3 H1 A 0.417000 1.0079 - 3018 SYS 1006 TIP3 H2 A 0.417000 1.0079 - 3019 SYS 1007 TIP3 O1 C -0.834000 15.9994 - 3020 SYS 1007 TIP3 H1 A 0.417000 1.0079 - 3021 SYS 1007 TIP3 H2 A 0.417000 1.0079 - 3022 SYS 1008 TIP3 O1 C -0.834000 15.9994 - 3023 SYS 1008 TIP3 H1 A 0.417000 1.0079 - 3024 SYS 1008 TIP3 H2 A 0.417000 1.0079 - 3025 SYS 1009 TIP3 O1 C -0.834000 15.9994 - 3026 SYS 1009 TIP3 H1 A 0.417000 1.0079 - 3027 SYS 1009 TIP3 H2 A 0.417000 1.0079 - 3028 SYS 1010 TIP3 O1 C -0.834000 15.9994 - 3029 SYS 1010 TIP3 H1 A 0.417000 1.0079 - 3030 SYS 1010 TIP3 H2 A 0.417000 1.0079 - 3031 SYS 1011 TIP3 O1 C -0.834000 15.9994 - 3032 SYS 1011 TIP3 H1 A 0.417000 1.0079 - 3033 SYS 1011 TIP3 H2 A 0.417000 1.0079 - 3034 SYS 1012 TIP3 O1 C -0.834000 15.9994 - 3035 SYS 1012 TIP3 H1 A 0.417000 1.0079 - 3036 SYS 1012 TIP3 H2 A 0.417000 1.0079 - 3037 SYS 1013 TIP3 O1 C -0.834000 15.9994 - 3038 SYS 1013 TIP3 H1 A 0.417000 1.0079 - 3039 SYS 1013 TIP3 H2 A 0.417000 1.0079 - 3040 SYS 1014 TIP3 O1 C -0.834000 15.9994 - 3041 SYS 1014 TIP3 H1 A 0.417000 1.0079 - 3042 SYS 1014 TIP3 H2 A 0.417000 1.0079 - 3043 SYS 1015 TIP3 O1 C -0.834000 15.9994 - 3044 SYS 1015 TIP3 H1 A 0.417000 1.0079 - 3045 SYS 1015 TIP3 H2 A 0.417000 1.0079 - 3046 SYS 1016 TIP3 O1 C -0.834000 15.9994 - 3047 SYS 1016 TIP3 H1 A 0.417000 1.0079 - 3048 SYS 1016 TIP3 H2 A 0.417000 1.0079 - 3049 SYS 1017 TIP3 O1 C -0.834000 15.9994 - 3050 SYS 1017 TIP3 H1 A 0.417000 1.0079 - 3051 SYS 1017 TIP3 H2 A 0.417000 1.0079 - 3052 SYS 1018 TIP3 O1 C -0.834000 15.9994 - 3053 SYS 1018 TIP3 H1 A 0.417000 1.0079 - 3054 SYS 1018 TIP3 H2 A 0.417000 1.0079 - 3055 SYS 1019 TIP3 O1 C -0.834000 15.9994 - 3056 SYS 1019 TIP3 H1 A 0.417000 1.0079 - 3057 SYS 1019 TIP3 H2 A 0.417000 1.0079 - 3058 SYS 1020 TIP3 O1 C -0.834000 15.9994 - 3059 SYS 1020 TIP3 H1 A 0.417000 1.0079 - 3060 SYS 1020 TIP3 H2 A 0.417000 1.0079 - 3061 SYS 1021 TIP3 O1 C -0.834000 15.9994 - 3062 SYS 1021 TIP3 H1 A 0.417000 1.0079 - 3063 SYS 1021 TIP3 H2 A 0.417000 1.0079 - 3064 SYS 1022 TIP3 O1 C -0.834000 15.9994 - 3065 SYS 1022 TIP3 H1 A 0.417000 1.0079 - 3066 SYS 1022 TIP3 H2 A 0.417000 1.0079 - 3067 SYS 1023 TIP3 O1 C -0.834000 15.9994 - 3068 SYS 1023 TIP3 H1 A 0.417000 1.0079 - 3069 SYS 1023 TIP3 H2 A 0.417000 1.0079 - 3070 SYS 1024 TIP3 O1 C -0.834000 15.9994 - 3071 SYS 1024 TIP3 H1 A 0.417000 1.0079 - 3072 SYS 1024 TIP3 H2 A 0.417000 1.0079 - 3073 SYS 1025 TIP3 O1 C -0.834000 15.9994 - 3074 SYS 1025 TIP3 H1 A 0.417000 1.0079 - 3075 SYS 1025 TIP3 H2 A 0.417000 1.0079 - 3076 SYS 1026 TIP3 O1 C -0.834000 15.9994 - 3077 SYS 1026 TIP3 H1 A 0.417000 1.0079 - 3078 SYS 1026 TIP3 H2 A 0.417000 1.0079 - 3079 SYS 1027 TIP3 O1 C -0.834000 15.9994 - 3080 SYS 1027 TIP3 H1 A 0.417000 1.0079 - 3081 SYS 1027 TIP3 H2 A 0.417000 1.0079 - 3082 SYS 1028 TIP3 O1 C -0.834000 15.9994 - 3083 SYS 1028 TIP3 H1 A 0.417000 1.0079 - 3084 SYS 1028 TIP3 H2 A 0.417000 1.0079 - 3085 SYS 1029 TIP3 O1 C -0.834000 15.9994 - 3086 SYS 1029 TIP3 H1 A 0.417000 1.0079 - 3087 SYS 1029 TIP3 H2 A 0.417000 1.0079 - 3088 SYS 1030 TIP3 O1 C -0.834000 15.9994 - 3089 SYS 1030 TIP3 H1 A 0.417000 1.0079 - 3090 SYS 1030 TIP3 H2 A 0.417000 1.0079 - 3091 SYS 1031 TIP3 O1 C -0.834000 15.9994 - 3092 SYS 1031 TIP3 H1 A 0.417000 1.0079 - 3093 SYS 1031 TIP3 H2 A 0.417000 1.0079 - 3094 SYS 1032 TIP3 O1 C -0.834000 15.9994 - 3095 SYS 1032 TIP3 H1 A 0.417000 1.0079 - 3096 SYS 1032 TIP3 H2 A 0.417000 1.0079 - 3097 SYS 1033 TIP3 O1 C -0.834000 15.9994 - 3098 SYS 1033 TIP3 H1 A 0.417000 1.0079 - 3099 SYS 1033 TIP3 H2 A 0.417000 1.0079 - 3100 SYS 1034 TIP3 O1 C -0.834000 15.9994 - 3101 SYS 1034 TIP3 H1 A 0.417000 1.0079 - 3102 SYS 1034 TIP3 H2 A 0.417000 1.0079 - 3103 SYS 1035 TIP3 O1 C -0.834000 15.9994 - 3104 SYS 1035 TIP3 H1 A 0.417000 1.0079 - 3105 SYS 1035 TIP3 H2 A 0.417000 1.0079 - 3106 SYS 1036 TIP3 O1 C -0.834000 15.9994 - 3107 SYS 1036 TIP3 H1 A 0.417000 1.0079 - 3108 SYS 1036 TIP3 H2 A 0.417000 1.0079 - 3109 SYS 1037 TIP3 O1 C -0.834000 15.9994 - 3110 SYS 1037 TIP3 H1 A 0.417000 1.0079 - 3111 SYS 1037 TIP3 H2 A 0.417000 1.0079 - 3112 SYS 1038 TIP3 O1 C -0.834000 15.9994 - 3113 SYS 1038 TIP3 H1 A 0.417000 1.0079 - 3114 SYS 1038 TIP3 H2 A 0.417000 1.0079 - 3115 SYS 1039 TIP3 O1 C -0.834000 15.9994 - 3116 SYS 1039 TIP3 H1 A 0.417000 1.0079 - 3117 SYS 1039 TIP3 H2 A 0.417000 1.0079 - 3118 SYS 1040 TIP3 O1 C -0.834000 15.9994 - 3119 SYS 1040 TIP3 H1 A 0.417000 1.0079 - 3120 SYS 1040 TIP3 H2 A 0.417000 1.0079 - 3121 SYS 1041 TIP3 O1 C -0.834000 15.9994 - 3122 SYS 1041 TIP3 H1 A 0.417000 1.0079 - 3123 SYS 1041 TIP3 H2 A 0.417000 1.0079 - 3124 SYS 1042 TIP3 O1 C -0.834000 15.9994 - 3125 SYS 1042 TIP3 H1 A 0.417000 1.0079 - 3126 SYS 1042 TIP3 H2 A 0.417000 1.0079 - 3127 SYS 1043 TIP3 O1 C -0.834000 15.9994 - 3128 SYS 1043 TIP3 H1 A 0.417000 1.0079 - 3129 SYS 1043 TIP3 H2 A 0.417000 1.0079 - 3130 SYS 1044 TIP3 O1 C -0.834000 15.9994 - 3131 SYS 1044 TIP3 H1 A 0.417000 1.0079 - 3132 SYS 1044 TIP3 H2 A 0.417000 1.0079 - 3133 SYS 1045 TIP3 O1 C -0.834000 15.9994 - 3134 SYS 1045 TIP3 H1 A 0.417000 1.0079 - 3135 SYS 1045 TIP3 H2 A 0.417000 1.0079 - 3136 SYS 1046 TIP3 O1 C -0.834000 15.9994 - 3137 SYS 1046 TIP3 H1 A 0.417000 1.0079 - 3138 SYS 1046 TIP3 H2 A 0.417000 1.0079 - 3139 SYS 1047 TIP3 O1 C -0.834000 15.9994 - 3140 SYS 1047 TIP3 H1 A 0.417000 1.0079 - 3141 SYS 1047 TIP3 H2 A 0.417000 1.0079 - 3142 SYS 1048 TIP3 O1 C -0.834000 15.9994 - 3143 SYS 1048 TIP3 H1 A 0.417000 1.0079 - 3144 SYS 1048 TIP3 H2 A 0.417000 1.0079 - 3145 SYS 1049 TIP3 O1 C -0.834000 15.9994 - 3146 SYS 1049 TIP3 H1 A 0.417000 1.0079 - 3147 SYS 1049 TIP3 H2 A 0.417000 1.0079 - 3148 SYS 1050 TIP3 O1 C -0.834000 15.9994 - 3149 SYS 1050 TIP3 H1 A 0.417000 1.0079 - 3150 SYS 1050 TIP3 H2 A 0.417000 1.0079 - 3151 SYS 1051 TIP3 O1 C -0.834000 15.9994 - 3152 SYS 1051 TIP3 H1 A 0.417000 1.0079 - 3153 SYS 1051 TIP3 H2 A 0.417000 1.0079 - 3154 SYS 1052 TIP3 O1 C -0.834000 15.9994 - 3155 SYS 1052 TIP3 H1 A 0.417000 1.0079 - 3156 SYS 1052 TIP3 H2 A 0.417000 1.0079 - 3157 SYS 1053 TIP3 O1 C -0.834000 15.9994 - 3158 SYS 1053 TIP3 H1 A 0.417000 1.0079 - 3159 SYS 1053 TIP3 H2 A 0.417000 1.0079 - 3160 SYS 1054 TIP3 O1 C -0.834000 15.9994 - 3161 SYS 1054 TIP3 H1 A 0.417000 1.0079 - 3162 SYS 1054 TIP3 H2 A 0.417000 1.0079 - 3163 SYS 1055 TIP3 O1 C -0.834000 15.9994 - 3164 SYS 1055 TIP3 H1 A 0.417000 1.0079 - 3165 SYS 1055 TIP3 H2 A 0.417000 1.0079 - 3166 SYS 1056 TIP3 O1 C -0.834000 15.9994 - 3167 SYS 1056 TIP3 H1 A 0.417000 1.0079 - 3168 SYS 1056 TIP3 H2 A 0.417000 1.0079 - 3169 SYS 1057 TIP3 O1 C -0.834000 15.9994 - 3170 SYS 1057 TIP3 H1 A 0.417000 1.0079 - 3171 SYS 1057 TIP3 H2 A 0.417000 1.0079 - 3172 SYS 1058 TIP3 O1 C -0.834000 15.9994 - 3173 SYS 1058 TIP3 H1 A 0.417000 1.0079 - 3174 SYS 1058 TIP3 H2 A 0.417000 1.0079 - 3175 SYS 1059 TIP3 O1 C -0.834000 15.9994 - 3176 SYS 1059 TIP3 H1 A 0.417000 1.0079 - 3177 SYS 1059 TIP3 H2 A 0.417000 1.0079 - 3178 SYS 1060 TIP3 O1 C -0.834000 15.9994 - 3179 SYS 1060 TIP3 H1 A 0.417000 1.0079 - 3180 SYS 1060 TIP3 H2 A 0.417000 1.0079 - 3181 SYS 1061 TIP3 O1 C -0.834000 15.9994 - 3182 SYS 1061 TIP3 H1 A 0.417000 1.0079 - 3183 SYS 1061 TIP3 H2 A 0.417000 1.0079 - 3184 SYS 1062 TIP3 O1 C -0.834000 15.9994 - 3185 SYS 1062 TIP3 H1 A 0.417000 1.0079 - 3186 SYS 1062 TIP3 H2 A 0.417000 1.0079 - 3187 SYS 1063 TIP3 O1 C -0.834000 15.9994 - 3188 SYS 1063 TIP3 H1 A 0.417000 1.0079 - 3189 SYS 1063 TIP3 H2 A 0.417000 1.0079 - 3190 SYS 1064 TIP3 O1 C -0.834000 15.9994 - 3191 SYS 1064 TIP3 H1 A 0.417000 1.0079 - 3192 SYS 1064 TIP3 H2 A 0.417000 1.0079 - 3193 SYS 1065 TIP3 O1 C -0.834000 15.9994 - 3194 SYS 1065 TIP3 H1 A 0.417000 1.0079 - 3195 SYS 1065 TIP3 H2 A 0.417000 1.0079 - 3196 SYS 1066 TIP3 O1 C -0.834000 15.9994 - 3197 SYS 1066 TIP3 H1 A 0.417000 1.0079 - 3198 SYS 1066 TIP3 H2 A 0.417000 1.0079 - 3199 SYS 1067 TIP3 O1 C -0.834000 15.9994 - 3200 SYS 1067 TIP3 H1 A 0.417000 1.0079 - 3201 SYS 1067 TIP3 H2 A 0.417000 1.0079 - 3202 SYS 1068 TIP3 O1 C -0.834000 15.9994 - 3203 SYS 1068 TIP3 H1 A 0.417000 1.0079 - 3204 SYS 1068 TIP3 H2 A 0.417000 1.0079 - 3205 SYS 1069 TIP3 O1 C -0.834000 15.9994 - 3206 SYS 1069 TIP3 H1 A 0.417000 1.0079 - 3207 SYS 1069 TIP3 H2 A 0.417000 1.0079 - 3208 SYS 1070 TIP3 O1 C -0.834000 15.9994 - 3209 SYS 1070 TIP3 H1 A 0.417000 1.0079 - 3210 SYS 1070 TIP3 H2 A 0.417000 1.0079 - 3211 SYS 1071 TIP3 O1 C -0.834000 15.9994 - 3212 SYS 1071 TIP3 H1 A 0.417000 1.0079 - 3213 SYS 1071 TIP3 H2 A 0.417000 1.0079 - 3214 SYS 1072 TIP3 O1 C -0.834000 15.9994 - 3215 SYS 1072 TIP3 H1 A 0.417000 1.0079 - 3216 SYS 1072 TIP3 H2 A 0.417000 1.0079 - 3217 SYS 1073 TIP3 O1 C -0.834000 15.9994 - 3218 SYS 1073 TIP3 H1 A 0.417000 1.0079 - 3219 SYS 1073 TIP3 H2 A 0.417000 1.0079 - 3220 SYS 1074 TIP3 O1 C -0.834000 15.9994 - 3221 SYS 1074 TIP3 H1 A 0.417000 1.0079 - 3222 SYS 1074 TIP3 H2 A 0.417000 1.0079 - 3223 SYS 1075 TIP3 O1 C -0.834000 15.9994 - 3224 SYS 1075 TIP3 H1 A 0.417000 1.0079 - 3225 SYS 1075 TIP3 H2 A 0.417000 1.0079 - 3226 SYS 1076 TIP3 O1 C -0.834000 15.9994 - 3227 SYS 1076 TIP3 H1 A 0.417000 1.0079 - 3228 SYS 1076 TIP3 H2 A 0.417000 1.0079 - 3229 SYS 1077 TIP3 O1 C -0.834000 15.9994 - 3230 SYS 1077 TIP3 H1 A 0.417000 1.0079 - 3231 SYS 1077 TIP3 H2 A 0.417000 1.0079 - 3232 SYS 1078 TIP3 O1 C -0.834000 15.9994 - 3233 SYS 1078 TIP3 H1 A 0.417000 1.0079 - 3234 SYS 1078 TIP3 H2 A 0.417000 1.0079 - 3235 SYS 1079 TIP3 O1 C -0.834000 15.9994 - 3236 SYS 1079 TIP3 H1 A 0.417000 1.0079 - 3237 SYS 1079 TIP3 H2 A 0.417000 1.0079 - 3238 SYS 1080 TIP3 O1 C -0.834000 15.9994 - 3239 SYS 1080 TIP3 H1 A 0.417000 1.0079 - 3240 SYS 1080 TIP3 H2 A 0.417000 1.0079 - 3241 SYS 1081 TIP3 O1 C -0.834000 15.9994 - 3242 SYS 1081 TIP3 H1 A 0.417000 1.0079 - 3243 SYS 1081 TIP3 H2 A 0.417000 1.0079 - 3244 SYS 1082 TIP3 O1 C -0.834000 15.9994 - 3245 SYS 1082 TIP3 H1 A 0.417000 1.0079 - 3246 SYS 1082 TIP3 H2 A 0.417000 1.0079 - 3247 SYS 1083 TIP3 O1 C -0.834000 15.9994 - 3248 SYS 1083 TIP3 H1 A 0.417000 1.0079 - 3249 SYS 1083 TIP3 H2 A 0.417000 1.0079 - 3250 SYS 1084 TIP3 O1 C -0.834000 15.9994 - 3251 SYS 1084 TIP3 H1 A 0.417000 1.0079 - 3252 SYS 1084 TIP3 H2 A 0.417000 1.0079 - 3253 SYS 1085 TIP3 O1 C -0.834000 15.9994 - 3254 SYS 1085 TIP3 H1 A 0.417000 1.0079 - 3255 SYS 1085 TIP3 H2 A 0.417000 1.0079 - 3256 SYS 1086 TIP3 O1 C -0.834000 15.9994 - 3257 SYS 1086 TIP3 H1 A 0.417000 1.0079 - 3258 SYS 1086 TIP3 H2 A 0.417000 1.0079 - 3259 SYS 1087 TIP3 O1 C -0.834000 15.9994 - 3260 SYS 1087 TIP3 H1 A 0.417000 1.0079 - 3261 SYS 1087 TIP3 H2 A 0.417000 1.0079 - 3262 SYS 1088 TIP3 O1 C -0.834000 15.9994 - 3263 SYS 1088 TIP3 H1 A 0.417000 1.0079 - 3264 SYS 1088 TIP3 H2 A 0.417000 1.0079 - 3265 SYS 1089 TIP3 O1 C -0.834000 15.9994 - 3266 SYS 1089 TIP3 H1 A 0.417000 1.0079 - 3267 SYS 1089 TIP3 H2 A 0.417000 1.0079 - 3268 SYS 1090 TIP3 O1 C -0.834000 15.9994 - 3269 SYS 1090 TIP3 H1 A 0.417000 1.0079 - 3270 SYS 1090 TIP3 H2 A 0.417000 1.0079 - 3271 SYS 1091 TIP3 O1 C -0.834000 15.9994 - 3272 SYS 1091 TIP3 H1 A 0.417000 1.0079 - 3273 SYS 1091 TIP3 H2 A 0.417000 1.0079 - 3274 SYS 1092 TIP3 O1 C -0.834000 15.9994 - 3275 SYS 1092 TIP3 H1 A 0.417000 1.0079 - 3276 SYS 1092 TIP3 H2 A 0.417000 1.0079 - 3277 SYS 1093 TIP3 O1 C -0.834000 15.9994 - 3278 SYS 1093 TIP3 H1 A 0.417000 1.0079 - 3279 SYS 1093 TIP3 H2 A 0.417000 1.0079 - 3280 SYS 1094 TIP3 O1 C -0.834000 15.9994 - 3281 SYS 1094 TIP3 H1 A 0.417000 1.0079 - 3282 SYS 1094 TIP3 H2 A 0.417000 1.0079 - 3283 SYS 1095 TIP3 O1 C -0.834000 15.9994 - 3284 SYS 1095 TIP3 H1 A 0.417000 1.0079 - 3285 SYS 1095 TIP3 H2 A 0.417000 1.0079 - 3286 SYS 1096 TIP3 O1 C -0.834000 15.9994 - 3287 SYS 1096 TIP3 H1 A 0.417000 1.0079 - 3288 SYS 1096 TIP3 H2 A 0.417000 1.0079 - 3289 SYS 1097 TIP3 O1 C -0.834000 15.9994 - 3290 SYS 1097 TIP3 H1 A 0.417000 1.0079 - 3291 SYS 1097 TIP3 H2 A 0.417000 1.0079 - 3292 SYS 1098 TIP3 O1 C -0.834000 15.9994 - 3293 SYS 1098 TIP3 H1 A 0.417000 1.0079 - 3294 SYS 1098 TIP3 H2 A 0.417000 1.0079 - 3295 SYS 1099 TIP3 O1 C -0.834000 15.9994 - 3296 SYS 1099 TIP3 H1 A 0.417000 1.0079 - 3297 SYS 1099 TIP3 H2 A 0.417000 1.0079 - 3298 SYS 1100 TIP3 O1 C -0.834000 15.9994 - 3299 SYS 1100 TIP3 H1 A 0.417000 1.0079 - 3300 SYS 1100 TIP3 H2 A 0.417000 1.0079 - 3301 SYS 1101 TIP3 O1 C -0.834000 15.9994 - 3302 SYS 1101 TIP3 H1 A 0.417000 1.0079 - 3303 SYS 1101 TIP3 H2 A 0.417000 1.0079 - 3304 SYS 1102 TIP3 O1 C -0.834000 15.9994 - 3305 SYS 1102 TIP3 H1 A 0.417000 1.0079 - 3306 SYS 1102 TIP3 H2 A 0.417000 1.0079 - 3307 SYS 1103 TIP3 O1 C -0.834000 15.9994 - 3308 SYS 1103 TIP3 H1 A 0.417000 1.0079 - 3309 SYS 1103 TIP3 H2 A 0.417000 1.0079 - 3310 SYS 1104 TIP3 O1 C -0.834000 15.9994 - 3311 SYS 1104 TIP3 H1 A 0.417000 1.0079 - 3312 SYS 1104 TIP3 H2 A 0.417000 1.0079 - 3313 SYS 1105 TIP3 O1 C -0.834000 15.9994 - 3314 SYS 1105 TIP3 H1 A 0.417000 1.0079 - 3315 SYS 1105 TIP3 H2 A 0.417000 1.0079 - 3316 SYS 1106 TIP3 O1 C -0.834000 15.9994 - 3317 SYS 1106 TIP3 H1 A 0.417000 1.0079 - 3318 SYS 1106 TIP3 H2 A 0.417000 1.0079 - 3319 SYS 1107 TIP3 O1 C -0.834000 15.9994 - 3320 SYS 1107 TIP3 H1 A 0.417000 1.0079 - 3321 SYS 1107 TIP3 H2 A 0.417000 1.0079 - 3322 SYS 1108 TIP3 O1 C -0.834000 15.9994 - 3323 SYS 1108 TIP3 H1 A 0.417000 1.0079 - 3324 SYS 1108 TIP3 H2 A 0.417000 1.0079 - 3325 SYS 1109 TIP3 O1 C -0.834000 15.9994 - 3326 SYS 1109 TIP3 H1 A 0.417000 1.0079 - 3327 SYS 1109 TIP3 H2 A 0.417000 1.0079 - 3328 SYS 1110 TIP3 O1 C -0.834000 15.9994 - 3329 SYS 1110 TIP3 H1 A 0.417000 1.0079 - 3330 SYS 1110 TIP3 H2 A 0.417000 1.0079 - 3331 SYS 1111 TIP3 O1 C -0.834000 15.9994 - 3332 SYS 1111 TIP3 H1 A 0.417000 1.0079 - 3333 SYS 1111 TIP3 H2 A 0.417000 1.0079 - 3334 SYS 1112 TIP3 O1 C -0.834000 15.9994 - 3335 SYS 1112 TIP3 H1 A 0.417000 1.0079 - 3336 SYS 1112 TIP3 H2 A 0.417000 1.0079 - 3337 SYS 1113 TIP3 O1 C -0.834000 15.9994 - 3338 SYS 1113 TIP3 H1 A 0.417000 1.0079 - 3339 SYS 1113 TIP3 H2 A 0.417000 1.0079 - 3340 SYS 1114 TIP3 O1 C -0.834000 15.9994 - 3341 SYS 1114 TIP3 H1 A 0.417000 1.0079 - 3342 SYS 1114 TIP3 H2 A 0.417000 1.0079 - 3343 SYS 1115 TIP3 O1 C -0.834000 15.9994 - 3344 SYS 1115 TIP3 H1 A 0.417000 1.0079 - 3345 SYS 1115 TIP3 H2 A 0.417000 1.0079 - 3346 SYS 1116 TIP3 O1 C -0.834000 15.9994 - 3347 SYS 1116 TIP3 H1 A 0.417000 1.0079 - 3348 SYS 1116 TIP3 H2 A 0.417000 1.0079 - 3349 SYS 1117 TIP3 O1 C -0.834000 15.9994 - 3350 SYS 1117 TIP3 H1 A 0.417000 1.0079 - 3351 SYS 1117 TIP3 H2 A 0.417000 1.0079 - 3352 SYS 1118 TIP3 O1 C -0.834000 15.9994 - 3353 SYS 1118 TIP3 H1 A 0.417000 1.0079 - 3354 SYS 1118 TIP3 H2 A 0.417000 1.0079 - 3355 SYS 1119 TIP3 O1 C -0.834000 15.9994 - 3356 SYS 1119 TIP3 H1 A 0.417000 1.0079 - 3357 SYS 1119 TIP3 H2 A 0.417000 1.0079 - 3358 SYS 1120 TIP3 O1 C -0.834000 15.9994 - 3359 SYS 1120 TIP3 H1 A 0.417000 1.0079 - 3360 SYS 1120 TIP3 H2 A 0.417000 1.0079 - 3361 SYS 1121 TIP3 O1 C -0.834000 15.9994 - 3362 SYS 1121 TIP3 H1 A 0.417000 1.0079 - 3363 SYS 1121 TIP3 H2 A 0.417000 1.0079 - 3364 SYS 1122 TIP3 O1 C -0.834000 15.9994 - 3365 SYS 1122 TIP3 H1 A 0.417000 1.0079 - 3366 SYS 1122 TIP3 H2 A 0.417000 1.0079 - 3367 SYS 1123 TIP3 O1 C -0.834000 15.9994 - 3368 SYS 1123 TIP3 H1 A 0.417000 1.0079 - 3369 SYS 1123 TIP3 H2 A 0.417000 1.0079 - 3370 SYS 1124 TIP3 O1 C -0.834000 15.9994 - 3371 SYS 1124 TIP3 H1 A 0.417000 1.0079 - 3372 SYS 1124 TIP3 H2 A 0.417000 1.0079 - 3373 SYS 1125 TIP3 O1 C -0.834000 15.9994 - 3374 SYS 1125 TIP3 H1 A 0.417000 1.0079 - 3375 SYS 1125 TIP3 H2 A 0.417000 1.0079 - 3376 SYS 1126 TIP3 O1 C -0.834000 15.9994 - 3377 SYS 1126 TIP3 H1 A 0.417000 1.0079 - 3378 SYS 1126 TIP3 H2 A 0.417000 1.0079 - 3379 SYS 1127 TIP3 O1 C -0.834000 15.9994 - 3380 SYS 1127 TIP3 H1 A 0.417000 1.0079 - 3381 SYS 1127 TIP3 H2 A 0.417000 1.0079 - 3382 SYS 1128 TIP3 O1 C -0.834000 15.9994 - 3383 SYS 1128 TIP3 H1 A 0.417000 1.0079 - 3384 SYS 1128 TIP3 H2 A 0.417000 1.0079 - 3385 SYS 1129 TIP3 O1 C -0.834000 15.9994 - 3386 SYS 1129 TIP3 H1 A 0.417000 1.0079 - 3387 SYS 1129 TIP3 H2 A 0.417000 1.0079 - 3388 SYS 1130 TIP3 O1 C -0.834000 15.9994 - 3389 SYS 1130 TIP3 H1 A 0.417000 1.0079 - 3390 SYS 1130 TIP3 H2 A 0.417000 1.0079 - 3391 SYS 1131 TIP3 O1 C -0.834000 15.9994 - 3392 SYS 1131 TIP3 H1 A 0.417000 1.0079 - 3393 SYS 1131 TIP3 H2 A 0.417000 1.0079 - 3394 SYS 1132 TIP3 O1 C -0.834000 15.9994 - 3395 SYS 1132 TIP3 H1 A 0.417000 1.0079 - 3396 SYS 1132 TIP3 H2 A 0.417000 1.0079 - 3397 SYS 1133 TIP3 O1 C -0.834000 15.9994 - 3398 SYS 1133 TIP3 H1 A 0.417000 1.0079 - 3399 SYS 1133 TIP3 H2 A 0.417000 1.0079 - 3400 SYS 1134 TIP3 O1 C -0.834000 15.9994 - 3401 SYS 1134 TIP3 H1 A 0.417000 1.0079 - 3402 SYS 1134 TIP3 H2 A 0.417000 1.0079 - 3403 SYS 1135 TIP3 O1 C -0.834000 15.9994 - 3404 SYS 1135 TIP3 H1 A 0.417000 1.0079 - 3405 SYS 1135 TIP3 H2 A 0.417000 1.0079 - 3406 SYS 1136 TIP3 O1 C -0.834000 15.9994 - 3407 SYS 1136 TIP3 H1 A 0.417000 1.0079 - 3408 SYS 1136 TIP3 H2 A 0.417000 1.0079 - 3409 SYS 1137 TIP3 O1 C -0.834000 15.9994 - 3410 SYS 1137 TIP3 H1 A 0.417000 1.0079 - 3411 SYS 1137 TIP3 H2 A 0.417000 1.0079 - 3412 SYS 1138 TIP3 O1 C -0.834000 15.9994 - 3413 SYS 1138 TIP3 H1 A 0.417000 1.0079 - 3414 SYS 1138 TIP3 H2 A 0.417000 1.0079 - 3415 SYS 1139 TIP3 O1 C -0.834000 15.9994 - 3416 SYS 1139 TIP3 H1 A 0.417000 1.0079 - 3417 SYS 1139 TIP3 H2 A 0.417000 1.0079 - 3418 SYS 1140 TIP3 O1 C -0.834000 15.9994 - 3419 SYS 1140 TIP3 H1 A 0.417000 1.0079 - 3420 SYS 1140 TIP3 H2 A 0.417000 1.0079 - 3421 SYS 1141 TIP3 O1 C -0.834000 15.9994 - 3422 SYS 1141 TIP3 H1 A 0.417000 1.0079 - 3423 SYS 1141 TIP3 H2 A 0.417000 1.0079 - 3424 SYS 1142 TIP3 O1 C -0.834000 15.9994 - 3425 SYS 1142 TIP3 H1 A 0.417000 1.0079 - 3426 SYS 1142 TIP3 H2 A 0.417000 1.0079 - 3427 SYS 1143 TIP3 O1 C -0.834000 15.9994 - 3428 SYS 1143 TIP3 H1 A 0.417000 1.0079 - 3429 SYS 1143 TIP3 H2 A 0.417000 1.0079 - 3430 SYS 1144 TIP3 O1 C -0.834000 15.9994 - 3431 SYS 1144 TIP3 H1 A 0.417000 1.0079 - 3432 SYS 1144 TIP3 H2 A 0.417000 1.0079 - 3433 SYS 1145 TIP3 O1 C -0.834000 15.9994 - 3434 SYS 1145 TIP3 H1 A 0.417000 1.0079 - 3435 SYS 1145 TIP3 H2 A 0.417000 1.0079 - 3436 SYS 1146 TIP3 O1 C -0.834000 15.9994 - 3437 SYS 1146 TIP3 H1 A 0.417000 1.0079 - 3438 SYS 1146 TIP3 H2 A 0.417000 1.0079 - 3439 SYS 1147 TIP3 O1 C -0.834000 15.9994 - 3440 SYS 1147 TIP3 H1 A 0.417000 1.0079 - 3441 SYS 1147 TIP3 H2 A 0.417000 1.0079 - 3442 SYS 1148 TIP3 O1 C -0.834000 15.9994 - 3443 SYS 1148 TIP3 H1 A 0.417000 1.0079 - 3444 SYS 1148 TIP3 H2 A 0.417000 1.0079 - 3445 SYS 1149 TIP3 O1 C -0.834000 15.9994 - 3446 SYS 1149 TIP3 H1 A 0.417000 1.0079 - 3447 SYS 1149 TIP3 H2 A 0.417000 1.0079 - 3448 SYS 1150 TIP3 O1 C -0.834000 15.9994 - 3449 SYS 1150 TIP3 H1 A 0.417000 1.0079 - 3450 SYS 1150 TIP3 H2 A 0.417000 1.0079 - 3451 SYS 1151 TIP3 O1 C -0.834000 15.9994 - 3452 SYS 1151 TIP3 H1 A 0.417000 1.0079 - 3453 SYS 1151 TIP3 H2 A 0.417000 1.0079 - 3454 SYS 1152 TIP3 O1 C -0.834000 15.9994 - 3455 SYS 1152 TIP3 H1 A 0.417000 1.0079 - 3456 SYS 1152 TIP3 H2 A 0.417000 1.0079 - 3457 SYS 1153 TIP3 O1 C -0.834000 15.9994 - 3458 SYS 1153 TIP3 H1 A 0.417000 1.0079 - 3459 SYS 1153 TIP3 H2 A 0.417000 1.0079 - 3460 SYS 1154 TIP3 O1 C -0.834000 15.9994 - 3461 SYS 1154 TIP3 H1 A 0.417000 1.0079 - 3462 SYS 1154 TIP3 H2 A 0.417000 1.0079 - 3463 SYS 1155 TIP3 O1 C -0.834000 15.9994 - 3464 SYS 1155 TIP3 H1 A 0.417000 1.0079 - 3465 SYS 1155 TIP3 H2 A 0.417000 1.0079 - 3466 SYS 1156 TIP3 O1 C -0.834000 15.9994 - 3467 SYS 1156 TIP3 H1 A 0.417000 1.0079 - 3468 SYS 1156 TIP3 H2 A 0.417000 1.0079 - 3469 SYS 1157 TIP3 O1 C -0.834000 15.9994 - 3470 SYS 1157 TIP3 H1 A 0.417000 1.0079 - 3471 SYS 1157 TIP3 H2 A 0.417000 1.0079 - 3472 SYS 1158 TIP3 O1 C -0.834000 15.9994 - 3473 SYS 1158 TIP3 H1 A 0.417000 1.0079 - 3474 SYS 1158 TIP3 H2 A 0.417000 1.0079 - 3475 SYS 1159 TIP3 O1 C -0.834000 15.9994 - 3476 SYS 1159 TIP3 H1 A 0.417000 1.0079 - 3477 SYS 1159 TIP3 H2 A 0.417000 1.0079 - 3478 SYS 1160 TIP3 O1 C -0.834000 15.9994 - 3479 SYS 1160 TIP3 H1 A 0.417000 1.0079 - 3480 SYS 1160 TIP3 H2 A 0.417000 1.0079 - 3481 SYS 1161 TIP3 O1 C -0.834000 15.9994 - 3482 SYS 1161 TIP3 H1 A 0.417000 1.0079 - 3483 SYS 1161 TIP3 H2 A 0.417000 1.0079 - 3484 SYS 1162 TIP3 O1 C -0.834000 15.9994 - 3485 SYS 1162 TIP3 H1 A 0.417000 1.0079 - 3486 SYS 1162 TIP3 H2 A 0.417000 1.0079 - 3487 SYS 1163 TIP3 O1 C -0.834000 15.9994 - 3488 SYS 1163 TIP3 H1 A 0.417000 1.0079 - 3489 SYS 1163 TIP3 H2 A 0.417000 1.0079 - 3490 SYS 1164 TIP3 O1 C -0.834000 15.9994 - 3491 SYS 1164 TIP3 H1 A 0.417000 1.0079 - 3492 SYS 1164 TIP3 H2 A 0.417000 1.0079 - 3493 SYS 1165 TIP3 O1 C -0.834000 15.9994 - 3494 SYS 1165 TIP3 H1 A 0.417000 1.0079 - 3495 SYS 1165 TIP3 H2 A 0.417000 1.0079 - 3496 SYS 1166 TIP3 O1 C -0.834000 15.9994 - 3497 SYS 1166 TIP3 H1 A 0.417000 1.0079 - 3498 SYS 1166 TIP3 H2 A 0.417000 1.0079 - 3499 SYS 1167 TIP3 O1 C -0.834000 15.9994 - 3500 SYS 1167 TIP3 H1 A 0.417000 1.0079 - 3501 SYS 1167 TIP3 H2 A 0.417000 1.0079 - 3502 SYS 1168 TIP3 O1 C -0.834000 15.9994 - 3503 SYS 1168 TIP3 H1 A 0.417000 1.0079 - 3504 SYS 1168 TIP3 H2 A 0.417000 1.0079 - 3505 SYS 1169 TIP3 O1 C -0.834000 15.9994 - 3506 SYS 1169 TIP3 H1 A 0.417000 1.0079 - 3507 SYS 1169 TIP3 H2 A 0.417000 1.0079 - 3508 SYS 1170 TIP3 O1 C -0.834000 15.9994 - 3509 SYS 1170 TIP3 H1 A 0.417000 1.0079 - 3510 SYS 1170 TIP3 H2 A 0.417000 1.0079 - 3511 SYS 1171 TIP3 O1 C -0.834000 15.9994 - 3512 SYS 1171 TIP3 H1 A 0.417000 1.0079 - 3513 SYS 1171 TIP3 H2 A 0.417000 1.0079 - 3514 SYS 1172 TIP3 O1 C -0.834000 15.9994 - 3515 SYS 1172 TIP3 H1 A 0.417000 1.0079 - 3516 SYS 1172 TIP3 H2 A 0.417000 1.0079 - 3517 SYS 1173 TIP3 O1 C -0.834000 15.9994 - 3518 SYS 1173 TIP3 H1 A 0.417000 1.0079 - 3519 SYS 1173 TIP3 H2 A 0.417000 1.0079 - 3520 SYS 1174 TIP3 O1 C -0.834000 15.9994 - 3521 SYS 1174 TIP3 H1 A 0.417000 1.0079 - 3522 SYS 1174 TIP3 H2 A 0.417000 1.0079 - 3523 SYS 1175 TIP3 O1 C -0.834000 15.9994 - 3524 SYS 1175 TIP3 H1 A 0.417000 1.0079 - 3525 SYS 1175 TIP3 H2 A 0.417000 1.0079 - 3526 SYS 1176 TIP3 O1 C -0.834000 15.9994 - 3527 SYS 1176 TIP3 H1 A 0.417000 1.0079 - 3528 SYS 1176 TIP3 H2 A 0.417000 1.0079 - 3529 SYS 1177 TIP3 O1 C -0.834000 15.9994 - 3530 SYS 1177 TIP3 H1 A 0.417000 1.0079 - 3531 SYS 1177 TIP3 H2 A 0.417000 1.0079 - 3532 SYS 1178 TIP3 O1 C -0.834000 15.9994 - 3533 SYS 1178 TIP3 H1 A 0.417000 1.0079 - 3534 SYS 1178 TIP3 H2 A 0.417000 1.0079 - 3535 SYS 1179 TIP3 O1 C -0.834000 15.9994 - 3536 SYS 1179 TIP3 H1 A 0.417000 1.0079 - 3537 SYS 1179 TIP3 H2 A 0.417000 1.0079 - 3538 SYS 1180 TIP3 O1 C -0.834000 15.9994 - 3539 SYS 1180 TIP3 H1 A 0.417000 1.0079 - 3540 SYS 1180 TIP3 H2 A 0.417000 1.0079 - 3541 SYS 1181 TIP3 O1 C -0.834000 15.9994 - 3542 SYS 1181 TIP3 H1 A 0.417000 1.0079 - 3543 SYS 1181 TIP3 H2 A 0.417000 1.0079 - 3544 SYS 1182 TIP3 O1 C -0.834000 15.9994 - 3545 SYS 1182 TIP3 H1 A 0.417000 1.0079 - 3546 SYS 1182 TIP3 H2 A 0.417000 1.0079 - 3547 SYS 1183 TIP3 O1 C -0.834000 15.9994 - 3548 SYS 1183 TIP3 H1 A 0.417000 1.0079 - 3549 SYS 1183 TIP3 H2 A 0.417000 1.0079 - 3550 SYS 1184 TIP3 O1 C -0.834000 15.9994 - 3551 SYS 1184 TIP3 H1 A 0.417000 1.0079 - 3552 SYS 1184 TIP3 H2 A 0.417000 1.0079 - 3553 SYS 1185 TIP3 O1 C -0.834000 15.9994 - 3554 SYS 1185 TIP3 H1 A 0.417000 1.0079 - 3555 SYS 1185 TIP3 H2 A 0.417000 1.0079 - 3556 SYS 1186 TIP3 O1 C -0.834000 15.9994 - 3557 SYS 1186 TIP3 H1 A 0.417000 1.0079 - 3558 SYS 1186 TIP3 H2 A 0.417000 1.0079 - 3559 SYS 1187 TIP3 O1 C -0.834000 15.9994 - 3560 SYS 1187 TIP3 H1 A 0.417000 1.0079 - 3561 SYS 1187 TIP3 H2 A 0.417000 1.0079 - 3562 SYS 1188 TIP3 O1 C -0.834000 15.9994 - 3563 SYS 1188 TIP3 H1 A 0.417000 1.0079 - 3564 SYS 1188 TIP3 H2 A 0.417000 1.0079 - 3565 SYS 1189 TIP3 O1 C -0.834000 15.9994 - 3566 SYS 1189 TIP3 H1 A 0.417000 1.0079 - 3567 SYS 1189 TIP3 H2 A 0.417000 1.0079 - 3568 SYS 1190 TIP3 O1 C -0.834000 15.9994 - 3569 SYS 1190 TIP3 H1 A 0.417000 1.0079 - 3570 SYS 1190 TIP3 H2 A 0.417000 1.0079 - 3571 SYS 1191 TIP3 O1 C -0.834000 15.9994 - 3572 SYS 1191 TIP3 H1 A 0.417000 1.0079 - 3573 SYS 1191 TIP3 H2 A 0.417000 1.0079 - 3574 SYS 1192 TIP3 O1 C -0.834000 15.9994 - 3575 SYS 1192 TIP3 H1 A 0.417000 1.0079 - 3576 SYS 1192 TIP3 H2 A 0.417000 1.0079 - 3577 SYS 1193 TIP3 O1 C -0.834000 15.9994 - 3578 SYS 1193 TIP3 H1 A 0.417000 1.0079 - 3579 SYS 1193 TIP3 H2 A 0.417000 1.0079 - 3580 SYS 1194 TIP3 O1 C -0.834000 15.9994 - 3581 SYS 1194 TIP3 H1 A 0.417000 1.0079 - 3582 SYS 1194 TIP3 H2 A 0.417000 1.0079 - 3583 SYS 1195 TIP3 O1 C -0.834000 15.9994 - 3584 SYS 1195 TIP3 H1 A 0.417000 1.0079 - 3585 SYS 1195 TIP3 H2 A 0.417000 1.0079 - 3586 SYS 1196 TIP3 O1 C -0.834000 15.9994 - 3587 SYS 1196 TIP3 H1 A 0.417000 1.0079 - 3588 SYS 1196 TIP3 H2 A 0.417000 1.0079 - 3589 SYS 1197 TIP3 O1 C -0.834000 15.9994 - 3590 SYS 1197 TIP3 H1 A 0.417000 1.0079 - 3591 SYS 1197 TIP3 H2 A 0.417000 1.0079 - 3592 SYS 1198 TIP3 O1 C -0.834000 15.9994 - 3593 SYS 1198 TIP3 H1 A 0.417000 1.0079 - 3594 SYS 1198 TIP3 H2 A 0.417000 1.0079 - 3595 SYS 1199 TIP3 O1 C -0.834000 15.9994 - 3596 SYS 1199 TIP3 H1 A 0.417000 1.0079 - 3597 SYS 1199 TIP3 H2 A 0.417000 1.0079 - 3598 SYS 1200 TIP3 O1 C -0.834000 15.9994 - 3599 SYS 1200 TIP3 H1 A 0.417000 1.0079 - 3600 SYS 1200 TIP3 H2 A 0.417000 1.0079 - 3601 SYS 1201 TIP3 O1 C -0.834000 15.9994 - 3602 SYS 1201 TIP3 H1 A 0.417000 1.0079 - 3603 SYS 1201 TIP3 H2 A 0.417000 1.0079 - 3604 SYS 1202 TIP3 O1 C -0.834000 15.9994 - 3605 SYS 1202 TIP3 H1 A 0.417000 1.0079 - 3606 SYS 1202 TIP3 H2 A 0.417000 1.0079 - 3607 SYS 1203 TIP3 O1 C -0.834000 15.9994 - 3608 SYS 1203 TIP3 H1 A 0.417000 1.0079 - 3609 SYS 1203 TIP3 H2 A 0.417000 1.0079 - 3610 SYS 1204 TIP3 O1 C -0.834000 15.9994 - 3611 SYS 1204 TIP3 H1 A 0.417000 1.0079 - 3612 SYS 1204 TIP3 H2 A 0.417000 1.0079 - 3613 SYS 1205 TIP3 O1 C -0.834000 15.9994 - 3614 SYS 1205 TIP3 H1 A 0.417000 1.0079 - 3615 SYS 1205 TIP3 H2 A 0.417000 1.0079 - 3616 SYS 1206 TIP3 O1 C -0.834000 15.9994 - 3617 SYS 1206 TIP3 H1 A 0.417000 1.0079 - 3618 SYS 1206 TIP3 H2 A 0.417000 1.0079 - 3619 SYS 1207 TIP3 O1 C -0.834000 15.9994 - 3620 SYS 1207 TIP3 H1 A 0.417000 1.0079 - 3621 SYS 1207 TIP3 H2 A 0.417000 1.0079 - 3622 SYS 1208 TIP3 O1 C -0.834000 15.9994 - 3623 SYS 1208 TIP3 H1 A 0.417000 1.0079 - 3624 SYS 1208 TIP3 H2 A 0.417000 1.0079 - 3625 SYS 1209 TIP3 O1 C -0.834000 15.9994 - 3626 SYS 1209 TIP3 H1 A 0.417000 1.0079 - 3627 SYS 1209 TIP3 H2 A 0.417000 1.0079 - 3628 SYS 1210 TIP3 O1 C -0.834000 15.9994 - 3629 SYS 1210 TIP3 H1 A 0.417000 1.0079 - 3630 SYS 1210 TIP3 H2 A 0.417000 1.0079 - 3631 SYS 1211 TIP3 O1 C -0.834000 15.9994 - 3632 SYS 1211 TIP3 H1 A 0.417000 1.0079 - 3633 SYS 1211 TIP3 H2 A 0.417000 1.0079 - 3634 SYS 1212 TIP3 O1 C -0.834000 15.9994 - 3635 SYS 1212 TIP3 H1 A 0.417000 1.0079 - 3636 SYS 1212 TIP3 H2 A 0.417000 1.0079 - 3637 SYS 1213 TIP3 O1 C -0.834000 15.9994 - 3638 SYS 1213 TIP3 H1 A 0.417000 1.0079 - 3639 SYS 1213 TIP3 H2 A 0.417000 1.0079 - 3640 SYS 1214 TIP3 O1 C -0.834000 15.9994 - 3641 SYS 1214 TIP3 H1 A 0.417000 1.0079 - 3642 SYS 1214 TIP3 H2 A 0.417000 1.0079 - 3643 SYS 1215 TIP3 O1 C -0.834000 15.9994 - 3644 SYS 1215 TIP3 H1 A 0.417000 1.0079 - 3645 SYS 1215 TIP3 H2 A 0.417000 1.0079 - 3646 SYS 1216 TIP3 O1 C -0.834000 15.9994 - 3647 SYS 1216 TIP3 H1 A 0.417000 1.0079 - 3648 SYS 1216 TIP3 H2 A 0.417000 1.0079 - 3649 SYS 1217 TIP3 O1 C -0.834000 15.9994 - 3650 SYS 1217 TIP3 H1 A 0.417000 1.0079 - 3651 SYS 1217 TIP3 H2 A 0.417000 1.0079 - 3652 SYS 1218 TIP3 O1 C -0.834000 15.9994 - 3653 SYS 1218 TIP3 H1 A 0.417000 1.0079 - 3654 SYS 1218 TIP3 H2 A 0.417000 1.0079 - 3655 SYS 1219 TIP3 O1 C -0.834000 15.9994 - 3656 SYS 1219 TIP3 H1 A 0.417000 1.0079 - 3657 SYS 1219 TIP3 H2 A 0.417000 1.0079 - 3658 SYS 1220 TIP3 O1 C -0.834000 15.9994 - 3659 SYS 1220 TIP3 H1 A 0.417000 1.0079 - 3660 SYS 1220 TIP3 H2 A 0.417000 1.0079 - 3661 SYS 1221 TIP3 O1 C -0.834000 15.9994 - 3662 SYS 1221 TIP3 H1 A 0.417000 1.0079 - 3663 SYS 1221 TIP3 H2 A 0.417000 1.0079 - 3664 SYS 1222 TIP3 O1 C -0.834000 15.9994 - 3665 SYS 1222 TIP3 H1 A 0.417000 1.0079 - 3666 SYS 1222 TIP3 H2 A 0.417000 1.0079 - 3667 SYS 1223 TIP3 O1 C -0.834000 15.9994 - 3668 SYS 1223 TIP3 H1 A 0.417000 1.0079 - 3669 SYS 1223 TIP3 H2 A 0.417000 1.0079 - 3670 SYS 1224 TIP3 O1 C -0.834000 15.9994 - 3671 SYS 1224 TIP3 H1 A 0.417000 1.0079 - 3672 SYS 1224 TIP3 H2 A 0.417000 1.0079 - 3673 SYS 1225 TIP3 O1 C -0.834000 15.9994 - 3674 SYS 1225 TIP3 H1 A 0.417000 1.0079 - 3675 SYS 1225 TIP3 H2 A 0.417000 1.0079 - 3676 SYS 1226 TIP3 O1 C -0.834000 15.9994 - 3677 SYS 1226 TIP3 H1 A 0.417000 1.0079 - 3678 SYS 1226 TIP3 H2 A 0.417000 1.0079 - 3679 SYS 1227 TIP3 O1 C -0.834000 15.9994 - 3680 SYS 1227 TIP3 H1 A 0.417000 1.0079 - 3681 SYS 1227 TIP3 H2 A 0.417000 1.0079 - 3682 SYS 1228 TIP3 O1 C -0.834000 15.9994 - 3683 SYS 1228 TIP3 H1 A 0.417000 1.0079 - 3684 SYS 1228 TIP3 H2 A 0.417000 1.0079 - 3685 SYS 1229 TIP3 O1 C -0.834000 15.9994 - 3686 SYS 1229 TIP3 H1 A 0.417000 1.0079 - 3687 SYS 1229 TIP3 H2 A 0.417000 1.0079 - 3688 SYS 1230 TIP3 O1 C -0.834000 15.9994 - 3689 SYS 1230 TIP3 H1 A 0.417000 1.0079 - 3690 SYS 1230 TIP3 H2 A 0.417000 1.0079 - 3691 SYS 1231 TIP3 O1 C -0.834000 15.9994 - 3692 SYS 1231 TIP3 H1 A 0.417000 1.0079 - 3693 SYS 1231 TIP3 H2 A 0.417000 1.0079 - 3694 SYS 1232 TIP3 O1 C -0.834000 15.9994 - 3695 SYS 1232 TIP3 H1 A 0.417000 1.0079 - 3696 SYS 1232 TIP3 H2 A 0.417000 1.0079 - 3697 SYS 1233 TIP3 O1 C -0.834000 15.9994 - 3698 SYS 1233 TIP3 H1 A 0.417000 1.0079 - 3699 SYS 1233 TIP3 H2 A 0.417000 1.0079 - 3700 SYS 1234 TIP3 O1 C -0.834000 15.9994 - 3701 SYS 1234 TIP3 H1 A 0.417000 1.0079 - 3702 SYS 1234 TIP3 H2 A 0.417000 1.0079 - 3703 SYS 1235 TIP3 O1 C -0.834000 15.9994 - 3704 SYS 1235 TIP3 H1 A 0.417000 1.0079 - 3705 SYS 1235 TIP3 H2 A 0.417000 1.0079 - 3706 SYS 1236 TIP3 O1 C -0.834000 15.9994 - 3707 SYS 1236 TIP3 H1 A 0.417000 1.0079 - 3708 SYS 1236 TIP3 H2 A 0.417000 1.0079 - 3709 SYS 1237 TIP3 O1 C -0.834000 15.9994 - 3710 SYS 1237 TIP3 H1 A 0.417000 1.0079 - 3711 SYS 1237 TIP3 H2 A 0.417000 1.0079 - 3712 SYS 1238 TIP3 O1 C -0.834000 15.9994 - 3713 SYS 1238 TIP3 H1 A 0.417000 1.0079 - 3714 SYS 1238 TIP3 H2 A 0.417000 1.0079 - 3715 SYS 1239 TIP3 O1 C -0.834000 15.9994 - 3716 SYS 1239 TIP3 H1 A 0.417000 1.0079 - 3717 SYS 1239 TIP3 H2 A 0.417000 1.0079 - 3718 SYS 1240 TIP3 O1 C -0.834000 15.9994 - 3719 SYS 1240 TIP3 H1 A 0.417000 1.0079 - 3720 SYS 1240 TIP3 H2 A 0.417000 1.0079 - 3721 SYS 1241 TIP3 O1 C -0.834000 15.9994 - 3722 SYS 1241 TIP3 H1 A 0.417000 1.0079 - 3723 SYS 1241 TIP3 H2 A 0.417000 1.0079 - 3724 SYS 1242 TIP3 O1 C -0.834000 15.9994 - 3725 SYS 1242 TIP3 H1 A 0.417000 1.0079 - 3726 SYS 1242 TIP3 H2 A 0.417000 1.0079 - 3727 SYS 1243 TIP3 O1 C -0.834000 15.9994 - 3728 SYS 1243 TIP3 H1 A 0.417000 1.0079 - 3729 SYS 1243 TIP3 H2 A 0.417000 1.0079 - 3730 SYS 1244 TIP3 O1 C -0.834000 15.9994 - 3731 SYS 1244 TIP3 H1 A 0.417000 1.0079 - 3732 SYS 1244 TIP3 H2 A 0.417000 1.0079 - 3733 SYS 1245 TIP3 O1 C -0.834000 15.9994 - 3734 SYS 1245 TIP3 H1 A 0.417000 1.0079 - 3735 SYS 1245 TIP3 H2 A 0.417000 1.0079 - 3736 SYS 1246 TIP3 O1 C -0.834000 15.9994 - 3737 SYS 1246 TIP3 H1 A 0.417000 1.0079 - 3738 SYS 1246 TIP3 H2 A 0.417000 1.0079 - 3739 SYS 1247 TIP3 O1 C -0.834000 15.9994 - 3740 SYS 1247 TIP3 H1 A 0.417000 1.0079 - 3741 SYS 1247 TIP3 H2 A 0.417000 1.0079 - 3742 SYS 1248 TIP3 O1 C -0.834000 15.9994 - 3743 SYS 1248 TIP3 H1 A 0.417000 1.0079 - 3744 SYS 1248 TIP3 H2 A 0.417000 1.0079 - 3745 SYS 1249 TIP3 O1 C -0.834000 15.9994 - 3746 SYS 1249 TIP3 H1 A 0.417000 1.0079 - 3747 SYS 1249 TIP3 H2 A 0.417000 1.0079 - 3748 SYS 1250 TIP3 O1 C -0.834000 15.9994 - 3749 SYS 1250 TIP3 H1 A 0.417000 1.0079 - 3750 SYS 1250 TIP3 H2 A 0.417000 1.0079 - 3751 SYS 1251 TIP3 O1 C -0.834000 15.9994 - 3752 SYS 1251 TIP3 H1 A 0.417000 1.0079 - 3753 SYS 1251 TIP3 H2 A 0.417000 1.0079 - 3754 SYS 1252 TIP3 O1 C -0.834000 15.9994 - 3755 SYS 1252 TIP3 H1 A 0.417000 1.0079 - 3756 SYS 1252 TIP3 H2 A 0.417000 1.0079 - 3757 SYS 1253 TIP3 O1 C -0.834000 15.9994 - 3758 SYS 1253 TIP3 H1 A 0.417000 1.0079 - 3759 SYS 1253 TIP3 H2 A 0.417000 1.0079 - 3760 SYS 1254 TIP3 O1 C -0.834000 15.9994 - 3761 SYS 1254 TIP3 H1 A 0.417000 1.0079 - 3762 SYS 1254 TIP3 H2 A 0.417000 1.0079 - 3763 SYS 1255 TIP3 O1 C -0.834000 15.9994 - 3764 SYS 1255 TIP3 H1 A 0.417000 1.0079 - 3765 SYS 1255 TIP3 H2 A 0.417000 1.0079 - 3766 SYS 1256 TIP3 O1 C -0.834000 15.9994 - 3767 SYS 1256 TIP3 H1 A 0.417000 1.0079 - 3768 SYS 1256 TIP3 H2 A 0.417000 1.0079 - 3769 SYS 1257 TIP3 O1 C -0.834000 15.9994 - 3770 SYS 1257 TIP3 H1 A 0.417000 1.0079 - 3771 SYS 1257 TIP3 H2 A 0.417000 1.0079 - 3772 SYS 1258 TIP3 O1 C -0.834000 15.9994 - 3773 SYS 1258 TIP3 H1 A 0.417000 1.0079 - 3774 SYS 1258 TIP3 H2 A 0.417000 1.0079 - 3775 SYS 1259 TIP3 O1 C -0.834000 15.9994 - 3776 SYS 1259 TIP3 H1 A 0.417000 1.0079 - 3777 SYS 1259 TIP3 H2 A 0.417000 1.0079 - 3778 SYS 1260 TIP3 O1 C -0.834000 15.9994 - 3779 SYS 1260 TIP3 H1 A 0.417000 1.0079 - 3780 SYS 1260 TIP3 H2 A 0.417000 1.0079 - 3781 SYS 1261 TIP3 O1 C -0.834000 15.9994 - 3782 SYS 1261 TIP3 H1 A 0.417000 1.0079 - 3783 SYS 1261 TIP3 H2 A 0.417000 1.0079 - 3784 SYS 1262 TIP3 O1 C -0.834000 15.9994 - 3785 SYS 1262 TIP3 H1 A 0.417000 1.0079 - 3786 SYS 1262 TIP3 H2 A 0.417000 1.0079 - 3787 SYS 1263 TIP3 O1 C -0.834000 15.9994 - 3788 SYS 1263 TIP3 H1 A 0.417000 1.0079 - 3789 SYS 1263 TIP3 H2 A 0.417000 1.0079 - 3790 SYS 1264 TIP3 O1 C -0.834000 15.9994 - 3791 SYS 1264 TIP3 H1 A 0.417000 1.0079 - 3792 SYS 1264 TIP3 H2 A 0.417000 1.0079 - 3793 SYS 1265 TIP3 O1 C -0.834000 15.9994 - 3794 SYS 1265 TIP3 H1 A 0.417000 1.0079 - 3795 SYS 1265 TIP3 H2 A 0.417000 1.0079 - 3796 SYS 1266 TIP3 O1 C -0.834000 15.9994 - 3797 SYS 1266 TIP3 H1 A 0.417000 1.0079 - 3798 SYS 1266 TIP3 H2 A 0.417000 1.0079 - 3799 SYS 1267 TIP3 O1 C -0.834000 15.9994 - 3800 SYS 1267 TIP3 H1 A 0.417000 1.0079 - 3801 SYS 1267 TIP3 H2 A 0.417000 1.0079 - 3802 SYS 1268 TIP3 O1 C -0.834000 15.9994 - 3803 SYS 1268 TIP3 H1 A 0.417000 1.0079 - 3804 SYS 1268 TIP3 H2 A 0.417000 1.0079 - 3805 SYS 1269 TIP3 O1 C -0.834000 15.9994 - 3806 SYS 1269 TIP3 H1 A 0.417000 1.0079 - 3807 SYS 1269 TIP3 H2 A 0.417000 1.0079 - 3808 SYS 1270 TIP3 O1 C -0.834000 15.9994 - 3809 SYS 1270 TIP3 H1 A 0.417000 1.0079 - 3810 SYS 1270 TIP3 H2 A 0.417000 1.0079 - 3811 SYS 1271 TIP3 O1 C -0.834000 15.9994 - 3812 SYS 1271 TIP3 H1 A 0.417000 1.0079 - 3813 SYS 1271 TIP3 H2 A 0.417000 1.0079 - 3814 SYS 1272 TIP3 O1 C -0.834000 15.9994 - 3815 SYS 1272 TIP3 H1 A 0.417000 1.0079 - 3816 SYS 1272 TIP3 H2 A 0.417000 1.0079 - 3817 SYS 1273 TIP3 O1 C -0.834000 15.9994 - 3818 SYS 1273 TIP3 H1 A 0.417000 1.0079 - 3819 SYS 1273 TIP3 H2 A 0.417000 1.0079 - 3820 SYS 1274 TIP3 O1 C -0.834000 15.9994 - 3821 SYS 1274 TIP3 H1 A 0.417000 1.0079 - 3822 SYS 1274 TIP3 H2 A 0.417000 1.0079 - 3823 SYS 1275 TIP3 O1 C -0.834000 15.9994 - 3824 SYS 1275 TIP3 H1 A 0.417000 1.0079 - 3825 SYS 1275 TIP3 H2 A 0.417000 1.0079 - 3826 SYS 1276 TIP3 O1 C -0.834000 15.9994 - 3827 SYS 1276 TIP3 H1 A 0.417000 1.0079 - 3828 SYS 1276 TIP3 H2 A 0.417000 1.0079 - 3829 SYS 1277 TIP3 O1 C -0.834000 15.9994 - 3830 SYS 1277 TIP3 H1 A 0.417000 1.0079 - 3831 SYS 1277 TIP3 H2 A 0.417000 1.0079 - 3832 SYS 1278 TIP3 O1 C -0.834000 15.9994 - 3833 SYS 1278 TIP3 H1 A 0.417000 1.0079 - 3834 SYS 1278 TIP3 H2 A 0.417000 1.0079 - 3835 SYS 1279 TIP3 O1 C -0.834000 15.9994 - 3836 SYS 1279 TIP3 H1 A 0.417000 1.0079 - 3837 SYS 1279 TIP3 H2 A 0.417000 1.0079 - 3838 SYS 1280 TIP3 O1 C -0.834000 15.9994 - 3839 SYS 1280 TIP3 H1 A 0.417000 1.0079 - 3840 SYS 1280 TIP3 H2 A 0.417000 1.0079 - 3841 SYS 1281 TIP3 O1 C -0.834000 15.9994 - 3842 SYS 1281 TIP3 H1 A 0.417000 1.0079 - 3843 SYS 1281 TIP3 H2 A 0.417000 1.0079 - 3844 SYS 1282 TIP3 O1 C -0.834000 15.9994 - 3845 SYS 1282 TIP3 H1 A 0.417000 1.0079 - 3846 SYS 1282 TIP3 H2 A 0.417000 1.0079 - 3847 SYS 1283 TIP3 O1 C -0.834000 15.9994 - 3848 SYS 1283 TIP3 H1 A 0.417000 1.0079 - 3849 SYS 1283 TIP3 H2 A 0.417000 1.0079 - 3850 SYS 1284 TIP3 O1 C -0.834000 15.9994 - 3851 SYS 1284 TIP3 H1 A 0.417000 1.0079 - 3852 SYS 1284 TIP3 H2 A 0.417000 1.0079 - 3853 SYS 1285 TIP3 O1 C -0.834000 15.9994 - 3854 SYS 1285 TIP3 H1 A 0.417000 1.0079 - 3855 SYS 1285 TIP3 H2 A 0.417000 1.0079 - 3856 SYS 1286 TIP3 O1 C -0.834000 15.9994 - 3857 SYS 1286 TIP3 H1 A 0.417000 1.0079 - 3858 SYS 1286 TIP3 H2 A 0.417000 1.0079 - 3859 SYS 1287 TIP3 O1 C -0.834000 15.9994 - 3860 SYS 1287 TIP3 H1 A 0.417000 1.0079 - 3861 SYS 1287 TIP3 H2 A 0.417000 1.0079 - 3862 SYS 1288 TIP3 O1 C -0.834000 15.9994 - 3863 SYS 1288 TIP3 H1 A 0.417000 1.0079 - 3864 SYS 1288 TIP3 H2 A 0.417000 1.0079 - 3865 SYS 1289 TIP3 O1 C -0.834000 15.9994 - 3866 SYS 1289 TIP3 H1 A 0.417000 1.0079 - 3867 SYS 1289 TIP3 H2 A 0.417000 1.0079 - 3868 SYS 1290 TIP3 O1 C -0.834000 15.9994 - 3869 SYS 1290 TIP3 H1 A 0.417000 1.0079 - 3870 SYS 1290 TIP3 H2 A 0.417000 1.0079 - 3871 SYS 1291 TIP3 O1 C -0.834000 15.9994 - 3872 SYS 1291 TIP3 H1 A 0.417000 1.0079 - 3873 SYS 1291 TIP3 H2 A 0.417000 1.0079 - 3874 SYS 1292 TIP3 O1 C -0.834000 15.9994 - 3875 SYS 1292 TIP3 H1 A 0.417000 1.0079 - 3876 SYS 1292 TIP3 H2 A 0.417000 1.0079 - 3877 SYS 1293 TIP3 O1 C -0.834000 15.9994 - 3878 SYS 1293 TIP3 H1 A 0.417000 1.0079 - 3879 SYS 1293 TIP3 H2 A 0.417000 1.0079 - 3880 SYS 1294 TIP3 O1 C -0.834000 15.9994 - 3881 SYS 1294 TIP3 H1 A 0.417000 1.0079 - 3882 SYS 1294 TIP3 H2 A 0.417000 1.0079 - 3883 SYS 1295 TIP3 O1 C -0.834000 15.9994 - 3884 SYS 1295 TIP3 H1 A 0.417000 1.0079 - 3885 SYS 1295 TIP3 H2 A 0.417000 1.0079 - 3886 SYS 1296 TIP3 O1 C -0.834000 15.9994 - 3887 SYS 1296 TIP3 H1 A 0.417000 1.0079 - 3888 SYS 1296 TIP3 H2 A 0.417000 1.0079 - 3889 SYS 1297 TIP3 O1 C -0.834000 15.9994 - 3890 SYS 1297 TIP3 H1 A 0.417000 1.0079 - 3891 SYS 1297 TIP3 H2 A 0.417000 1.0079 - 3892 SYS 1298 TIP3 O1 C -0.834000 15.9994 - 3893 SYS 1298 TIP3 H1 A 0.417000 1.0079 - 3894 SYS 1298 TIP3 H2 A 0.417000 1.0079 - 3895 SYS 1299 TIP3 O1 C -0.834000 15.9994 - 3896 SYS 1299 TIP3 H1 A 0.417000 1.0079 - 3897 SYS 1299 TIP3 H2 A 0.417000 1.0079 - 3898 SYS 1300 TIP3 O1 C -0.834000 15.9994 - 3899 SYS 1300 TIP3 H1 A 0.417000 1.0079 - 3900 SYS 1300 TIP3 H2 A 0.417000 1.0079 - 3901 SYS 1301 TIP3 O1 C -0.834000 15.9994 - 3902 SYS 1301 TIP3 H1 A 0.417000 1.0079 - 3903 SYS 1301 TIP3 H2 A 0.417000 1.0079 - 3904 SYS 1302 TIP3 O1 C -0.834000 15.9994 - 3905 SYS 1302 TIP3 H1 A 0.417000 1.0079 - 3906 SYS 1302 TIP3 H2 A 0.417000 1.0079 - 3907 SYS 1303 TIP3 O1 C -0.834000 15.9994 - 3908 SYS 1303 TIP3 H1 A 0.417000 1.0079 - 3909 SYS 1303 TIP3 H2 A 0.417000 1.0079 - 3910 SYS 1304 TIP3 O1 C -0.834000 15.9994 - 3911 SYS 1304 TIP3 H1 A 0.417000 1.0079 - 3912 SYS 1304 TIP3 H2 A 0.417000 1.0079 - 3913 SYS 1305 TIP3 O1 C -0.834000 15.9994 - 3914 SYS 1305 TIP3 H1 A 0.417000 1.0079 - 3915 SYS 1305 TIP3 H2 A 0.417000 1.0079 - 3916 SYS 1306 TIP3 O1 C -0.834000 15.9994 - 3917 SYS 1306 TIP3 H1 A 0.417000 1.0079 - 3918 SYS 1306 TIP3 H2 A 0.417000 1.0079 - 3919 SYS 1307 TIP3 O1 C -0.834000 15.9994 - 3920 SYS 1307 TIP3 H1 A 0.417000 1.0079 - 3921 SYS 1307 TIP3 H2 A 0.417000 1.0079 - 3922 SYS 1308 TIP3 O1 C -0.834000 15.9994 - 3923 SYS 1308 TIP3 H1 A 0.417000 1.0079 - 3924 SYS 1308 TIP3 H2 A 0.417000 1.0079 - 3925 SYS 1309 TIP3 O1 C -0.834000 15.9994 - 3926 SYS 1309 TIP3 H1 A 0.417000 1.0079 - 3927 SYS 1309 TIP3 H2 A 0.417000 1.0079 - 3928 SYS 1310 TIP3 O1 C -0.834000 15.9994 - 3929 SYS 1310 TIP3 H1 A 0.417000 1.0079 - 3930 SYS 1310 TIP3 H2 A 0.417000 1.0079 - 3931 SYS 1311 TIP3 O1 C -0.834000 15.9994 - 3932 SYS 1311 TIP3 H1 A 0.417000 1.0079 - 3933 SYS 1311 TIP3 H2 A 0.417000 1.0079 - 3934 SYS 1312 TIP3 O1 C -0.834000 15.9994 - 3935 SYS 1312 TIP3 H1 A 0.417000 1.0079 - 3936 SYS 1312 TIP3 H2 A 0.417000 1.0079 - 3937 SYS 1313 TIP3 O1 C -0.834000 15.9994 - 3938 SYS 1313 TIP3 H1 A 0.417000 1.0079 - 3939 SYS 1313 TIP3 H2 A 0.417000 1.0079 - 3940 SYS 1314 TIP3 O1 C -0.834000 15.9994 - 3941 SYS 1314 TIP3 H1 A 0.417000 1.0079 - 3942 SYS 1314 TIP3 H2 A 0.417000 1.0079 - 3943 SYS 1315 TIP3 O1 C -0.834000 15.9994 - 3944 SYS 1315 TIP3 H1 A 0.417000 1.0079 - 3945 SYS 1315 TIP3 H2 A 0.417000 1.0079 - 3946 SYS 1316 TIP3 O1 C -0.834000 15.9994 - 3947 SYS 1316 TIP3 H1 A 0.417000 1.0079 - 3948 SYS 1316 TIP3 H2 A 0.417000 1.0079 - 3949 SYS 1317 TIP3 O1 C -0.834000 15.9994 - 3950 SYS 1317 TIP3 H1 A 0.417000 1.0079 - 3951 SYS 1317 TIP3 H2 A 0.417000 1.0079 - 3952 SYS 1318 TIP3 O1 C -0.834000 15.9994 - 3953 SYS 1318 TIP3 H1 A 0.417000 1.0079 - 3954 SYS 1318 TIP3 H2 A 0.417000 1.0079 - 3955 SYS 1319 TIP3 O1 C -0.834000 15.9994 - 3956 SYS 1319 TIP3 H1 A 0.417000 1.0079 - 3957 SYS 1319 TIP3 H2 A 0.417000 1.0079 - 3958 SYS 1320 TIP3 O1 C -0.834000 15.9994 - 3959 SYS 1320 TIP3 H1 A 0.417000 1.0079 - 3960 SYS 1320 TIP3 H2 A 0.417000 1.0079 - 3961 SYS 1321 TIP3 O1 C -0.834000 15.9994 - 3962 SYS 1321 TIP3 H1 A 0.417000 1.0079 - 3963 SYS 1321 TIP3 H2 A 0.417000 1.0079 - 3964 SYS 1322 TIP3 O1 C -0.834000 15.9994 - 3965 SYS 1322 TIP3 H1 A 0.417000 1.0079 - 3966 SYS 1322 TIP3 H2 A 0.417000 1.0079 - 3967 SYS 1323 TIP3 O1 C -0.834000 15.9994 - 3968 SYS 1323 TIP3 H1 A 0.417000 1.0079 - 3969 SYS 1323 TIP3 H2 A 0.417000 1.0079 - 3970 SYS 1324 TIP3 O1 C -0.834000 15.9994 - 3971 SYS 1324 TIP3 H1 A 0.417000 1.0079 - 3972 SYS 1324 TIP3 H2 A 0.417000 1.0079 - 3973 SYS 1325 TIP3 O1 C -0.834000 15.9994 - 3974 SYS 1325 TIP3 H1 A 0.417000 1.0079 - 3975 SYS 1325 TIP3 H2 A 0.417000 1.0079 - 3976 SYS 1326 TIP3 O1 C -0.834000 15.9994 - 3977 SYS 1326 TIP3 H1 A 0.417000 1.0079 - 3978 SYS 1326 TIP3 H2 A 0.417000 1.0079 - 3979 SYS 1327 TIP3 O1 C -0.834000 15.9994 - 3980 SYS 1327 TIP3 H1 A 0.417000 1.0079 - 3981 SYS 1327 TIP3 H2 A 0.417000 1.0079 - 3982 SYS 1328 TIP3 O1 C -0.834000 15.9994 - 3983 SYS 1328 TIP3 H1 A 0.417000 1.0079 - 3984 SYS 1328 TIP3 H2 A 0.417000 1.0079 - 3985 SYS 1329 TIP3 O1 C -0.834000 15.9994 - 3986 SYS 1329 TIP3 H1 A 0.417000 1.0079 - 3987 SYS 1329 TIP3 H2 A 0.417000 1.0079 - 3988 SYS 1330 TIP3 O1 C -0.834000 15.9994 - 3989 SYS 1330 TIP3 H1 A 0.417000 1.0079 - 3990 SYS 1330 TIP3 H2 A 0.417000 1.0079 - 3991 SYS 1331 TIP3 O1 C -0.834000 15.9994 - 3992 SYS 1331 TIP3 H1 A 0.417000 1.0079 - 3993 SYS 1331 TIP3 H2 A 0.417000 1.0079 - 3994 SYS 1332 TIP3 O1 C -0.834000 15.9994 - 3995 SYS 1332 TIP3 H1 A 0.417000 1.0079 - 3996 SYS 1332 TIP3 H2 A 0.417000 1.0079 - 3997 SYS 1333 TIP3 O1 C -0.834000 15.9994 - 3998 SYS 1333 TIP3 H1 A 0.417000 1.0079 - 3999 SYS 1333 TIP3 H2 A 0.417000 1.0079 - 4000 SYS 1334 TIP3 O1 C -0.834000 15.9994 - 4001 SYS 1334 TIP3 H1 A 0.417000 1.0079 - 4002 SYS 1334 TIP3 H2 A 0.417000 1.0079 - 4003 SYS 1335 TIP3 O1 C -0.834000 15.9994 - 4004 SYS 1335 TIP3 H1 A 0.417000 1.0079 - 4005 SYS 1335 TIP3 H2 A 0.417000 1.0079 - 4006 SYS 1336 TIP3 O1 C -0.834000 15.9994 - 4007 SYS 1336 TIP3 H1 A 0.417000 1.0079 - 4008 SYS 1336 TIP3 H2 A 0.417000 1.0079 - 4009 SYS 1337 TIP3 O1 C -0.834000 15.9994 - 4010 SYS 1337 TIP3 H1 A 0.417000 1.0079 - 4011 SYS 1337 TIP3 H2 A 0.417000 1.0079 - 4012 SYS 1338 TIP3 O1 C -0.834000 15.9994 - 4013 SYS 1338 TIP3 H1 A 0.417000 1.0079 - 4014 SYS 1338 TIP3 H2 A 0.417000 1.0079 - 4015 SYS 1339 TIP3 O1 C -0.834000 15.9994 - 4016 SYS 1339 TIP3 H1 A 0.417000 1.0079 - 4017 SYS 1339 TIP3 H2 A 0.417000 1.0079 - 4018 SYS 1340 TIP3 O1 C -0.834000 15.9994 - 4019 SYS 1340 TIP3 H1 A 0.417000 1.0079 - 4020 SYS 1340 TIP3 H2 A 0.417000 1.0079 - 4021 SYS 1341 TIP3 O1 C -0.834000 15.9994 - 4022 SYS 1341 TIP3 H1 A 0.417000 1.0079 - 4023 SYS 1341 TIP3 H2 A 0.417000 1.0079 - 4024 SYS 1342 TIP3 O1 C -0.834000 15.9994 - 4025 SYS 1342 TIP3 H1 A 0.417000 1.0079 - 4026 SYS 1342 TIP3 H2 A 0.417000 1.0079 - 4027 SYS 1343 TIP3 O1 C -0.834000 15.9994 - 4028 SYS 1343 TIP3 H1 A 0.417000 1.0079 - 4029 SYS 1343 TIP3 H2 A 0.417000 1.0079 - 4030 SYS 1344 TIP3 O1 C -0.834000 15.9994 - 4031 SYS 1344 TIP3 H1 A 0.417000 1.0079 - 4032 SYS 1344 TIP3 H2 A 0.417000 1.0079 - 4033 SYS 1345 TIP3 O1 C -0.834000 15.9994 - 4034 SYS 1345 TIP3 H1 A 0.417000 1.0079 - 4035 SYS 1345 TIP3 H2 A 0.417000 1.0079 - 4036 SYS 1346 TIP3 O1 C -0.834000 15.9994 - 4037 SYS 1346 TIP3 H1 A 0.417000 1.0079 - 4038 SYS 1346 TIP3 H2 A 0.417000 1.0079 - 4039 SYS 1347 TIP3 O1 C -0.834000 15.9994 - 4040 SYS 1347 TIP3 H1 A 0.417000 1.0079 - 4041 SYS 1347 TIP3 H2 A 0.417000 1.0079 - 4042 SYS 1348 TIP3 O1 C -0.834000 15.9994 - 4043 SYS 1348 TIP3 H1 A 0.417000 1.0079 - 4044 SYS 1348 TIP3 H2 A 0.417000 1.0079 - 4045 SYS 1349 TIP3 O1 C -0.834000 15.9994 - 4046 SYS 1349 TIP3 H1 A 0.417000 1.0079 - 4047 SYS 1349 TIP3 H2 A 0.417000 1.0079 - 4048 SYS 1350 TIP3 O1 C -0.834000 15.9994 - 4049 SYS 1350 TIP3 H1 A 0.417000 1.0079 - 4050 SYS 1350 TIP3 H2 A 0.417000 1.0079 - 4051 SYS 1351 TIP3 O1 C -0.834000 15.9994 - 4052 SYS 1351 TIP3 H1 A 0.417000 1.0079 - 4053 SYS 1351 TIP3 H2 A 0.417000 1.0079 - 4054 SYS 1352 TIP3 O1 C -0.834000 15.9994 - 4055 SYS 1352 TIP3 H1 A 0.417000 1.0079 - 4056 SYS 1352 TIP3 H2 A 0.417000 1.0079 - 4057 SYS 1353 TIP3 O1 C -0.834000 15.9994 - 4058 SYS 1353 TIP3 H1 A 0.417000 1.0079 - 4059 SYS 1353 TIP3 H2 A 0.417000 1.0079 - 4060 SYS 1354 TIP3 O1 C -0.834000 15.9994 - 4061 SYS 1354 TIP3 H1 A 0.417000 1.0079 - 4062 SYS 1354 TIP3 H2 A 0.417000 1.0079 - 4063 SYS 1355 TIP3 O1 C -0.834000 15.9994 - 4064 SYS 1355 TIP3 H1 A 0.417000 1.0079 - 4065 SYS 1355 TIP3 H2 A 0.417000 1.0079 - 4066 SYS 1356 TIP3 O1 C -0.834000 15.9994 - 4067 SYS 1356 TIP3 H1 A 0.417000 1.0079 - 4068 SYS 1356 TIP3 H2 A 0.417000 1.0079 - 4069 SYS 1357 TIP3 O1 C -0.834000 15.9994 - 4070 SYS 1357 TIP3 H1 A 0.417000 1.0079 - 4071 SYS 1357 TIP3 H2 A 0.417000 1.0079 - 4072 SYS 1358 TIP3 O1 C -0.834000 15.9994 - 4073 SYS 1358 TIP3 H1 A 0.417000 1.0079 - 4074 SYS 1358 TIP3 H2 A 0.417000 1.0079 - 4075 SYS 1359 TIP3 O1 C -0.834000 15.9994 - 4076 SYS 1359 TIP3 H1 A 0.417000 1.0079 - 4077 SYS 1359 TIP3 H2 A 0.417000 1.0079 - 4078 SYS 1360 TIP3 O1 C -0.834000 15.9994 - 4079 SYS 1360 TIP3 H1 A 0.417000 1.0079 - 4080 SYS 1360 TIP3 H2 A 0.417000 1.0079 - 4081 SYS 1361 TIP3 O1 C -0.834000 15.9994 - 4082 SYS 1361 TIP3 H1 A 0.417000 1.0079 - 4083 SYS 1361 TIP3 H2 A 0.417000 1.0079 - 4084 SYS 1362 TIP3 O1 C -0.834000 15.9994 - 4085 SYS 1362 TIP3 H1 A 0.417000 1.0079 - 4086 SYS 1362 TIP3 H2 A 0.417000 1.0079 - 4087 SYS 1363 TIP3 O1 C -0.834000 15.9994 - 4088 SYS 1363 TIP3 H1 A 0.417000 1.0079 - 4089 SYS 1363 TIP3 H2 A 0.417000 1.0079 - 4090 SYS 1364 TIP3 O1 C -0.834000 15.9994 - 4091 SYS 1364 TIP3 H1 A 0.417000 1.0079 - 4092 SYS 1364 TIP3 H2 A 0.417000 1.0079 - 4093 SYS 1365 TIP3 O1 C -0.834000 15.9994 - 4094 SYS 1365 TIP3 H1 A 0.417000 1.0079 - 4095 SYS 1365 TIP3 H2 A 0.417000 1.0079 - 4096 SYS 1366 TIP3 O1 C -0.834000 15.9994 - 4097 SYS 1366 TIP3 H1 A 0.417000 1.0079 - 4098 SYS 1366 TIP3 H2 A 0.417000 1.0079 - 4099 SYS 1367 TIP3 O1 C -0.834000 15.9994 - 4100 SYS 1367 TIP3 H1 A 0.417000 1.0079 - 4101 SYS 1367 TIP3 H2 A 0.417000 1.0079 - 4102 SYS 1368 TIP3 O1 C -0.834000 15.9994 - 4103 SYS 1368 TIP3 H1 A 0.417000 1.0079 - 4104 SYS 1368 TIP3 H2 A 0.417000 1.0079 - 4105 SYS 1369 TIP3 O1 C -0.834000 15.9994 - 4106 SYS 1369 TIP3 H1 A 0.417000 1.0079 - 4107 SYS 1369 TIP3 H2 A 0.417000 1.0079 - 4108 SYS 1370 TIP3 O1 C -0.834000 15.9994 - 4109 SYS 1370 TIP3 H1 A 0.417000 1.0079 - 4110 SYS 1370 TIP3 H2 A 0.417000 1.0079 - 4111 SYS 1371 TIP3 O1 C -0.834000 15.9994 - 4112 SYS 1371 TIP3 H1 A 0.417000 1.0079 - 4113 SYS 1371 TIP3 H2 A 0.417000 1.0079 - 4114 SYS 1372 TIP3 O1 C -0.834000 15.9994 - 4115 SYS 1372 TIP3 H1 A 0.417000 1.0079 - 4116 SYS 1372 TIP3 H2 A 0.417000 1.0079 - 4117 SYS 1373 TIP3 O1 C -0.834000 15.9994 - 4118 SYS 1373 TIP3 H1 A 0.417000 1.0079 - 4119 SYS 1373 TIP3 H2 A 0.417000 1.0079 - 4120 SYS 1374 TIP3 O1 C -0.834000 15.9994 - 4121 SYS 1374 TIP3 H1 A 0.417000 1.0079 - 4122 SYS 1374 TIP3 H2 A 0.417000 1.0079 - 4123 SYS 1375 TIP3 O1 C -0.834000 15.9994 - 4124 SYS 1375 TIP3 H1 A 0.417000 1.0079 - 4125 SYS 1375 TIP3 H2 A 0.417000 1.0079 - 4126 SYS 1376 TIP3 O1 C -0.834000 15.9994 - 4127 SYS 1376 TIP3 H1 A 0.417000 1.0079 - 4128 SYS 1376 TIP3 H2 A 0.417000 1.0079 - 4129 SYS 1377 TIP3 O1 C -0.834000 15.9994 - 4130 SYS 1377 TIP3 H1 A 0.417000 1.0079 - 4131 SYS 1377 TIP3 H2 A 0.417000 1.0079 - 4132 SYS 1378 TIP3 O1 C -0.834000 15.9994 - 4133 SYS 1378 TIP3 H1 A 0.417000 1.0079 - 4134 SYS 1378 TIP3 H2 A 0.417000 1.0079 - 4135 SYS 1379 TIP3 O1 C -0.834000 15.9994 - 4136 SYS 1379 TIP3 H1 A 0.417000 1.0079 - 4137 SYS 1379 TIP3 H2 A 0.417000 1.0079 - 4138 SYS 1380 TIP3 O1 C -0.834000 15.9994 - 4139 SYS 1380 TIP3 H1 A 0.417000 1.0079 - 4140 SYS 1380 TIP3 H2 A 0.417000 1.0079 - 4141 SYS 1381 TIP3 O1 C -0.834000 15.9994 - 4142 SYS 1381 TIP3 H1 A 0.417000 1.0079 - 4143 SYS 1381 TIP3 H2 A 0.417000 1.0079 - 4144 SYS 1382 TIP3 O1 C -0.834000 15.9994 - 4145 SYS 1382 TIP3 H1 A 0.417000 1.0079 - 4146 SYS 1382 TIP3 H2 A 0.417000 1.0079 - 4147 SYS 1383 TIP3 O1 C -0.834000 15.9994 - 4148 SYS 1383 TIP3 H1 A 0.417000 1.0079 - 4149 SYS 1383 TIP3 H2 A 0.417000 1.0079 - 4150 SYS 1384 TIP3 O1 C -0.834000 15.9994 - 4151 SYS 1384 TIP3 H1 A 0.417000 1.0079 - 4152 SYS 1384 TIP3 H2 A 0.417000 1.0079 - 4153 SYS 1385 TIP3 O1 C -0.834000 15.9994 - 4154 SYS 1385 TIP3 H1 A 0.417000 1.0079 - 4155 SYS 1385 TIP3 H2 A 0.417000 1.0079 - 4156 SYS 1386 TIP3 O1 C -0.834000 15.9994 - 4157 SYS 1386 TIP3 H1 A 0.417000 1.0079 - 4158 SYS 1386 TIP3 H2 A 0.417000 1.0079 - 4159 SYS 1387 TIP3 O1 C -0.834000 15.9994 - 4160 SYS 1387 TIP3 H1 A 0.417000 1.0079 - 4161 SYS 1387 TIP3 H2 A 0.417000 1.0079 - 4162 SYS 1388 TIP3 O1 C -0.834000 15.9994 - 4163 SYS 1388 TIP3 H1 A 0.417000 1.0079 - 4164 SYS 1388 TIP3 H2 A 0.417000 1.0079 - 4165 SYS 1389 TIP3 O1 C -0.834000 15.9994 - 4166 SYS 1389 TIP3 H1 A 0.417000 1.0079 - 4167 SYS 1389 TIP3 H2 A 0.417000 1.0079 - 4168 SYS 1390 TIP3 O1 C -0.834000 15.9994 - 4169 SYS 1390 TIP3 H1 A 0.417000 1.0079 - 4170 SYS 1390 TIP3 H2 A 0.417000 1.0079 - 4171 SYS 1391 TIP3 O1 C -0.834000 15.9994 - 4172 SYS 1391 TIP3 H1 A 0.417000 1.0079 - 4173 SYS 1391 TIP3 H2 A 0.417000 1.0079 - 4174 SYS 1392 TIP3 O1 C -0.834000 15.9994 - 4175 SYS 1392 TIP3 H1 A 0.417000 1.0079 - 4176 SYS 1392 TIP3 H2 A 0.417000 1.0079 - 4177 SYS 1393 TIP3 O1 C -0.834000 15.9994 - 4178 SYS 1393 TIP3 H1 A 0.417000 1.0079 - 4179 SYS 1393 TIP3 H2 A 0.417000 1.0079 - 4180 SYS 1394 TIP3 O1 C -0.834000 15.9994 - 4181 SYS 1394 TIP3 H1 A 0.417000 1.0079 - 4182 SYS 1394 TIP3 H2 A 0.417000 1.0079 - 4183 SYS 1395 TIP3 O1 C -0.834000 15.9994 - 4184 SYS 1395 TIP3 H1 A 0.417000 1.0079 - 4185 SYS 1395 TIP3 H2 A 0.417000 1.0079 - 4186 SYS 1396 TIP3 O1 C -0.834000 15.9994 - 4187 SYS 1396 TIP3 H1 A 0.417000 1.0079 - 4188 SYS 1396 TIP3 H2 A 0.417000 1.0079 - 4189 SYS 1397 TIP3 O1 C -0.834000 15.9994 - 4190 SYS 1397 TIP3 H1 A 0.417000 1.0079 - 4191 SYS 1397 TIP3 H2 A 0.417000 1.0079 - 4192 SYS 1398 TIP3 O1 C -0.834000 15.9994 - 4193 SYS 1398 TIP3 H1 A 0.417000 1.0079 - 4194 SYS 1398 TIP3 H2 A 0.417000 1.0079 - 4195 SYS 1399 TIP3 O1 C -0.834000 15.9994 - 4196 SYS 1399 TIP3 H1 A 0.417000 1.0079 - 4197 SYS 1399 TIP3 H2 A 0.417000 1.0079 - 4198 SYS 1400 TIP3 O1 C -0.834000 15.9994 - 4199 SYS 1400 TIP3 H1 A 0.417000 1.0079 - 4200 SYS 1400 TIP3 H2 A 0.417000 1.0079 - 4201 SYS 1401 TIP3 O1 C -0.834000 15.9994 - 4202 SYS 1401 TIP3 H1 A 0.417000 1.0079 - 4203 SYS 1401 TIP3 H2 A 0.417000 1.0079 - 4204 SYS 1402 TIP3 O1 C -0.834000 15.9994 - 4205 SYS 1402 TIP3 H1 A 0.417000 1.0079 - 4206 SYS 1402 TIP3 H2 A 0.417000 1.0079 - 4207 SYS 1403 TIP3 O1 C -0.834000 15.9994 - 4208 SYS 1403 TIP3 H1 A 0.417000 1.0079 - 4209 SYS 1403 TIP3 H2 A 0.417000 1.0079 - 4210 SYS 1404 TIP3 O1 C -0.834000 15.9994 - 4211 SYS 1404 TIP3 H1 A 0.417000 1.0079 - 4212 SYS 1404 TIP3 H2 A 0.417000 1.0079 - 4213 SYS 1405 TIP3 O1 C -0.834000 15.9994 - 4214 SYS 1405 TIP3 H1 A 0.417000 1.0079 - 4215 SYS 1405 TIP3 H2 A 0.417000 1.0079 - 4216 SYS 1406 TIP3 O1 C -0.834000 15.9994 - 4217 SYS 1406 TIP3 H1 A 0.417000 1.0079 - 4218 SYS 1406 TIP3 H2 A 0.417000 1.0079 - 4219 SYS 1407 TIP3 O1 C -0.834000 15.9994 - 4220 SYS 1407 TIP3 H1 A 0.417000 1.0079 - 4221 SYS 1407 TIP3 H2 A 0.417000 1.0079 - 4222 SYS 1408 TIP3 O1 C -0.834000 15.9994 - 4223 SYS 1408 TIP3 H1 A 0.417000 1.0079 - 4224 SYS 1408 TIP3 H2 A 0.417000 1.0079 - 4225 SYS 1409 TIP3 O1 C -0.834000 15.9994 - 4226 SYS 1409 TIP3 H1 A 0.417000 1.0079 - 4227 SYS 1409 TIP3 H2 A 0.417000 1.0079 - 4228 SYS 1410 TIP3 O1 C -0.834000 15.9994 - 4229 SYS 1410 TIP3 H1 A 0.417000 1.0079 - 4230 SYS 1410 TIP3 H2 A 0.417000 1.0079 - 4231 SYS 1411 TIP3 O1 C -0.834000 15.9994 - 4232 SYS 1411 TIP3 H1 A 0.417000 1.0079 - 4233 SYS 1411 TIP3 H2 A 0.417000 1.0079 - 4234 SYS 1412 TIP3 O1 C -0.834000 15.9994 - 4235 SYS 1412 TIP3 H1 A 0.417000 1.0079 - 4236 SYS 1412 TIP3 H2 A 0.417000 1.0079 - 4237 SYS 1413 TIP3 O1 C -0.834000 15.9994 - 4238 SYS 1413 TIP3 H1 A 0.417000 1.0079 - 4239 SYS 1413 TIP3 H2 A 0.417000 1.0079 - 4240 SYS 1414 TIP3 O1 C -0.834000 15.9994 - 4241 SYS 1414 TIP3 H1 A 0.417000 1.0079 - 4242 SYS 1414 TIP3 H2 A 0.417000 1.0079 - 4243 SYS 1415 TIP3 O1 C -0.834000 15.9994 - 4244 SYS 1415 TIP3 H1 A 0.417000 1.0079 - 4245 SYS 1415 TIP3 H2 A 0.417000 1.0079 - 4246 SYS 1416 TIP3 O1 C -0.834000 15.9994 - 4247 SYS 1416 TIP3 H1 A 0.417000 1.0079 - 4248 SYS 1416 TIP3 H2 A 0.417000 1.0079 - 4249 SYS 1417 TIP3 O1 C -0.834000 15.9994 - 4250 SYS 1417 TIP3 H1 A 0.417000 1.0079 - 4251 SYS 1417 TIP3 H2 A 0.417000 1.0079 - 4252 SYS 1418 TIP3 O1 C -0.834000 15.9994 - 4253 SYS 1418 TIP3 H1 A 0.417000 1.0079 - 4254 SYS 1418 TIP3 H2 A 0.417000 1.0079 - 4255 SYS 1419 TIP3 O1 C -0.834000 15.9994 - 4256 SYS 1419 TIP3 H1 A 0.417000 1.0079 - 4257 SYS 1419 TIP3 H2 A 0.417000 1.0079 - 4258 SYS 1420 TIP3 O1 C -0.834000 15.9994 - 4259 SYS 1420 TIP3 H1 A 0.417000 1.0079 - 4260 SYS 1420 TIP3 H2 A 0.417000 1.0079 - 4261 SYS 1421 TIP3 O1 C -0.834000 15.9994 - 4262 SYS 1421 TIP3 H1 A 0.417000 1.0079 - 4263 SYS 1421 TIP3 H2 A 0.417000 1.0079 - 4264 SYS 1422 TIP3 O1 C -0.834000 15.9994 - 4265 SYS 1422 TIP3 H1 A 0.417000 1.0079 - 4266 SYS 1422 TIP3 H2 A 0.417000 1.0079 - 4267 SYS 1423 TIP3 O1 C -0.834000 15.9994 - 4268 SYS 1423 TIP3 H1 A 0.417000 1.0079 - 4269 SYS 1423 TIP3 H2 A 0.417000 1.0079 - 4270 SYS 1424 TIP3 O1 C -0.834000 15.9994 - 4271 SYS 1424 TIP3 H1 A 0.417000 1.0079 - 4272 SYS 1424 TIP3 H2 A 0.417000 1.0079 - 4273 SYS 1425 TIP3 O1 C -0.834000 15.9994 - 4274 SYS 1425 TIP3 H1 A 0.417000 1.0079 - 4275 SYS 1425 TIP3 H2 A 0.417000 1.0079 - 4276 SYS 1426 TIP3 O1 C -0.834000 15.9994 - 4277 SYS 1426 TIP3 H1 A 0.417000 1.0079 - 4278 SYS 1426 TIP3 H2 A 0.417000 1.0079 - 4279 SYS 1427 TIP3 O1 C -0.834000 15.9994 - 4280 SYS 1427 TIP3 H1 A 0.417000 1.0079 - 4281 SYS 1427 TIP3 H2 A 0.417000 1.0079 - 4282 SYS 1428 TIP3 O1 C -0.834000 15.9994 - 4283 SYS 1428 TIP3 H1 A 0.417000 1.0079 - 4284 SYS 1428 TIP3 H2 A 0.417000 1.0079 - 4285 SYS 1429 TIP3 O1 C -0.834000 15.9994 - 4286 SYS 1429 TIP3 H1 A 0.417000 1.0079 - 4287 SYS 1429 TIP3 H2 A 0.417000 1.0079 - 4288 SYS 1430 TIP3 O1 C -0.834000 15.9994 - 4289 SYS 1430 TIP3 H1 A 0.417000 1.0079 - 4290 SYS 1430 TIP3 H2 A 0.417000 1.0079 - 4291 SYS 1431 TIP3 O1 C -0.834000 15.9994 - 4292 SYS 1431 TIP3 H1 A 0.417000 1.0079 - 4293 SYS 1431 TIP3 H2 A 0.417000 1.0079 - 4294 SYS 1432 TIP3 O1 C -0.834000 15.9994 - 4295 SYS 1432 TIP3 H1 A 0.417000 1.0079 - 4296 SYS 1432 TIP3 H2 A 0.417000 1.0079 - 4297 SYS 1433 TIP3 O1 C -0.834000 15.9994 - 4298 SYS 1433 TIP3 H1 A 0.417000 1.0079 - 4299 SYS 1433 TIP3 H2 A 0.417000 1.0079 - 4300 SYS 1434 TIP3 O1 C -0.834000 15.9994 - 4301 SYS 1434 TIP3 H1 A 0.417000 1.0079 - 4302 SYS 1434 TIP3 H2 A 0.417000 1.0079 - 4303 SYS 1435 TIP3 O1 C -0.834000 15.9994 - 4304 SYS 1435 TIP3 H1 A 0.417000 1.0079 - 4305 SYS 1435 TIP3 H2 A 0.417000 1.0079 - 4306 SYS 1436 TIP3 O1 C -0.834000 15.9994 - 4307 SYS 1436 TIP3 H1 A 0.417000 1.0079 - 4308 SYS 1436 TIP3 H2 A 0.417000 1.0079 - 4309 SYS 1437 TIP3 O1 C -0.834000 15.9994 - 4310 SYS 1437 TIP3 H1 A 0.417000 1.0079 - 4311 SYS 1437 TIP3 H2 A 0.417000 1.0079 - 4312 SYS 1438 TIP3 O1 C -0.834000 15.9994 - 4313 SYS 1438 TIP3 H1 A 0.417000 1.0079 - 4314 SYS 1438 TIP3 H2 A 0.417000 1.0079 - 4315 SYS 1439 TIP3 O1 C -0.834000 15.9994 - 4316 SYS 1439 TIP3 H1 A 0.417000 1.0079 - 4317 SYS 1439 TIP3 H2 A 0.417000 1.0079 - 4318 SYS 1440 TIP3 O1 C -0.834000 15.9994 - 4319 SYS 1440 TIP3 H1 A 0.417000 1.0079 - 4320 SYS 1440 TIP3 H2 A 0.417000 1.0079 - 4321 SYS 1441 TIP3 O1 C -0.834000 15.9994 - 4322 SYS 1441 TIP3 H1 A 0.417000 1.0079 - 4323 SYS 1441 TIP3 H2 A 0.417000 1.0079 - 4324 SYS 1442 TIP3 O1 C -0.834000 15.9994 - 4325 SYS 1442 TIP3 H1 A 0.417000 1.0079 - 4326 SYS 1442 TIP3 H2 A 0.417000 1.0079 - 4327 SYS 1443 TIP3 O1 C -0.834000 15.9994 - 4328 SYS 1443 TIP3 H1 A 0.417000 1.0079 - 4329 SYS 1443 TIP3 H2 A 0.417000 1.0079 - 4330 SYS 1444 TIP3 O1 C -0.834000 15.9994 - 4331 SYS 1444 TIP3 H1 A 0.417000 1.0079 - 4332 SYS 1444 TIP3 H2 A 0.417000 1.0079 - 4333 SYS 1445 TIP3 O1 C -0.834000 15.9994 - 4334 SYS 1445 TIP3 H1 A 0.417000 1.0079 - 4335 SYS 1445 TIP3 H2 A 0.417000 1.0079 - 4336 SYS 1446 TIP3 O1 C -0.834000 15.9994 - 4337 SYS 1446 TIP3 H1 A 0.417000 1.0079 - 4338 SYS 1446 TIP3 H2 A 0.417000 1.0079 - 4339 SYS 1447 TIP3 O1 C -0.834000 15.9994 - 4340 SYS 1447 TIP3 H1 A 0.417000 1.0079 - 4341 SYS 1447 TIP3 H2 A 0.417000 1.0079 - 4342 SYS 1448 TIP3 O1 C -0.834000 15.9994 - 4343 SYS 1448 TIP3 H1 A 0.417000 1.0079 - 4344 SYS 1448 TIP3 H2 A 0.417000 1.0079 - 4345 SYS 1449 TIP3 O1 C -0.834000 15.9994 - 4346 SYS 1449 TIP3 H1 A 0.417000 1.0079 - 4347 SYS 1449 TIP3 H2 A 0.417000 1.0079 - 4348 SYS 1450 TIP3 O1 C -0.834000 15.9994 - 4349 SYS 1450 TIP3 H1 A 0.417000 1.0079 - 4350 SYS 1450 TIP3 H2 A 0.417000 1.0079 - 4351 SYS 1451 TIP3 O1 C -0.834000 15.9994 - 4352 SYS 1451 TIP3 H1 A 0.417000 1.0079 - 4353 SYS 1451 TIP3 H2 A 0.417000 1.0079 - 4354 SYS 1452 TIP3 O1 C -0.834000 15.9994 - 4355 SYS 1452 TIP3 H1 A 0.417000 1.0079 - 4356 SYS 1452 TIP3 H2 A 0.417000 1.0079 - 4357 SYS 1453 TIP3 O1 C -0.834000 15.9994 - 4358 SYS 1453 TIP3 H1 A 0.417000 1.0079 - 4359 SYS 1453 TIP3 H2 A 0.417000 1.0079 - 4360 SYS 1454 TIP3 O1 C -0.834000 15.9994 - 4361 SYS 1454 TIP3 H1 A 0.417000 1.0079 - 4362 SYS 1454 TIP3 H2 A 0.417000 1.0079 - 4363 SYS 1455 TIP3 O1 C -0.834000 15.9994 - 4364 SYS 1455 TIP3 H1 A 0.417000 1.0079 - 4365 SYS 1455 TIP3 H2 A 0.417000 1.0079 - 4366 SYS 1456 TIP3 O1 C -0.834000 15.9994 - 4367 SYS 1456 TIP3 H1 A 0.417000 1.0079 - 4368 SYS 1456 TIP3 H2 A 0.417000 1.0079 - 4369 SYS 1457 TIP3 O1 C -0.834000 15.9994 - 4370 SYS 1457 TIP3 H1 A 0.417000 1.0079 - 4371 SYS 1457 TIP3 H2 A 0.417000 1.0079 - 4372 SYS 1458 TIP3 O1 C -0.834000 15.9994 - 4373 SYS 1458 TIP3 H1 A 0.417000 1.0079 - 4374 SYS 1458 TIP3 H2 A 0.417000 1.0079 - 4375 SYS 1459 TIP3 O1 C -0.834000 15.9994 - 4376 SYS 1459 TIP3 H1 A 0.417000 1.0079 - 4377 SYS 1459 TIP3 H2 A 0.417000 1.0079 - 4378 SYS 1460 TIP3 O1 C -0.834000 15.9994 - 4379 SYS 1460 TIP3 H1 A 0.417000 1.0079 - 4380 SYS 1460 TIP3 H2 A 0.417000 1.0079 - 4381 SYS 1461 TIP3 O1 C -0.834000 15.9994 - 4382 SYS 1461 TIP3 H1 A 0.417000 1.0079 - 4383 SYS 1461 TIP3 H2 A 0.417000 1.0079 - 4384 SYS 1462 TIP3 O1 C -0.834000 15.9994 - 4385 SYS 1462 TIP3 H1 A 0.417000 1.0079 - 4386 SYS 1462 TIP3 H2 A 0.417000 1.0079 - 4387 SYS 1463 TIP3 O1 C -0.834000 15.9994 - 4388 SYS 1463 TIP3 H1 A 0.417000 1.0079 - 4389 SYS 1463 TIP3 H2 A 0.417000 1.0079 - 4390 SYS 1464 TIP3 O1 C -0.834000 15.9994 - 4391 SYS 1464 TIP3 H1 A 0.417000 1.0079 - 4392 SYS 1464 TIP3 H2 A 0.417000 1.0079 - 4393 SYS 1465 TIP3 O1 C -0.834000 15.9994 - 4394 SYS 1465 TIP3 H1 A 0.417000 1.0079 - 4395 SYS 1465 TIP3 H2 A 0.417000 1.0079 - 4396 SYS 1466 TIP3 O1 C -0.834000 15.9994 - 4397 SYS 1466 TIP3 H1 A 0.417000 1.0079 - 4398 SYS 1466 TIP3 H2 A 0.417000 1.0079 - 4399 SYS 1467 TIP3 O1 C -0.834000 15.9994 - 4400 SYS 1467 TIP3 H1 A 0.417000 1.0079 - 4401 SYS 1467 TIP3 H2 A 0.417000 1.0079 - 4402 SYS 1468 TIP3 O1 C -0.834000 15.9994 - 4403 SYS 1468 TIP3 H1 A 0.417000 1.0079 - 4404 SYS 1468 TIP3 H2 A 0.417000 1.0079 - 4405 SYS 1469 TIP3 O1 C -0.834000 15.9994 - 4406 SYS 1469 TIP3 H1 A 0.417000 1.0079 - 4407 SYS 1469 TIP3 H2 A 0.417000 1.0079 - 4408 SYS 1470 TIP3 O1 C -0.834000 15.9994 - 4409 SYS 1470 TIP3 H1 A 0.417000 1.0079 - 4410 SYS 1470 TIP3 H2 A 0.417000 1.0079 - 4411 SYS 1471 TIP3 O1 C -0.834000 15.9994 - 4412 SYS 1471 TIP3 H1 A 0.417000 1.0079 - 4413 SYS 1471 TIP3 H2 A 0.417000 1.0079 - 4414 SYS 1472 TIP3 O1 C -0.834000 15.9994 - 4415 SYS 1472 TIP3 H1 A 0.417000 1.0079 - 4416 SYS 1472 TIP3 H2 A 0.417000 1.0079 - 4417 SYS 1473 TIP3 O1 C -0.834000 15.9994 - 4418 SYS 1473 TIP3 H1 A 0.417000 1.0079 - 4419 SYS 1473 TIP3 H2 A 0.417000 1.0079 - 4420 SYS 1474 TIP3 O1 C -0.834000 15.9994 - 4421 SYS 1474 TIP3 H1 A 0.417000 1.0079 - 4422 SYS 1474 TIP3 H2 A 0.417000 1.0079 - 4423 SYS 1475 TIP3 O1 C -0.834000 15.9994 - 4424 SYS 1475 TIP3 H1 A 0.417000 1.0079 - 4425 SYS 1475 TIP3 H2 A 0.417000 1.0079 - 4426 SYS 1476 TIP3 O1 C -0.834000 15.9994 - 4427 SYS 1476 TIP3 H1 A 0.417000 1.0079 - 4428 SYS 1476 TIP3 H2 A 0.417000 1.0079 - 4429 SYS 1477 TIP3 O1 C -0.834000 15.9994 - 4430 SYS 1477 TIP3 H1 A 0.417000 1.0079 - 4431 SYS 1477 TIP3 H2 A 0.417000 1.0079 - 4432 SYS 1478 TIP3 O1 C -0.834000 15.9994 - 4433 SYS 1478 TIP3 H1 A 0.417000 1.0079 - 4434 SYS 1478 TIP3 H2 A 0.417000 1.0079 - 4435 SYS 1479 TIP3 O1 C -0.834000 15.9994 - 4436 SYS 1479 TIP3 H1 A 0.417000 1.0079 - 4437 SYS 1479 TIP3 H2 A 0.417000 1.0079 - 4438 SYS 1480 TIP3 O1 C -0.834000 15.9994 - 4439 SYS 1480 TIP3 H1 A 0.417000 1.0079 - 4440 SYS 1480 TIP3 H2 A 0.417000 1.0079 - 4441 SYS 1481 TIP3 O1 C -0.834000 15.9994 - 4442 SYS 1481 TIP3 H1 A 0.417000 1.0079 - 4443 SYS 1481 TIP3 H2 A 0.417000 1.0079 - 4444 SYS 1482 TIP3 O1 C -0.834000 15.9994 - 4445 SYS 1482 TIP3 H1 A 0.417000 1.0079 - 4446 SYS 1482 TIP3 H2 A 0.417000 1.0079 - 4447 SYS 1483 TIP3 O1 C -0.834000 15.9994 - 4448 SYS 1483 TIP3 H1 A 0.417000 1.0079 - 4449 SYS 1483 TIP3 H2 A 0.417000 1.0079 - 4450 SYS 1484 TIP3 O1 C -0.834000 15.9994 - 4451 SYS 1484 TIP3 H1 A 0.417000 1.0079 - 4452 SYS 1484 TIP3 H2 A 0.417000 1.0079 - 4453 SYS 1485 TIP3 O1 C -0.834000 15.9994 - 4454 SYS 1485 TIP3 H1 A 0.417000 1.0079 - 4455 SYS 1485 TIP3 H2 A 0.417000 1.0079 - 4456 SYS 1486 TIP3 O1 C -0.834000 15.9994 - 4457 SYS 1486 TIP3 H1 A 0.417000 1.0079 - 4458 SYS 1486 TIP3 H2 A 0.417000 1.0079 - 4459 SYS 1487 TIP3 O1 C -0.834000 15.9994 - 4460 SYS 1487 TIP3 H1 A 0.417000 1.0079 - 4461 SYS 1487 TIP3 H2 A 0.417000 1.0079 - 4462 SYS 1488 TIP3 O1 C -0.834000 15.9994 - 4463 SYS 1488 TIP3 H1 A 0.417000 1.0079 - 4464 SYS 1488 TIP3 H2 A 0.417000 1.0079 - 4465 SYS 1489 TIP3 O1 C -0.834000 15.9994 - 4466 SYS 1489 TIP3 H1 A 0.417000 1.0079 - 4467 SYS 1489 TIP3 H2 A 0.417000 1.0079 - 4468 SYS 1490 TIP3 O1 C -0.834000 15.9994 - 4469 SYS 1490 TIP3 H1 A 0.417000 1.0079 - 4470 SYS 1490 TIP3 H2 A 0.417000 1.0079 - 4471 SYS 1491 TIP3 O1 C -0.834000 15.9994 - 4472 SYS 1491 TIP3 H1 A 0.417000 1.0079 - 4473 SYS 1491 TIP3 H2 A 0.417000 1.0079 - 4474 SYS 1492 TIP3 O1 C -0.834000 15.9994 - 4475 SYS 1492 TIP3 H1 A 0.417000 1.0079 - 4476 SYS 1492 TIP3 H2 A 0.417000 1.0079 - 4477 SYS 1493 TIP3 O1 C -0.834000 15.9994 - 4478 SYS 1493 TIP3 H1 A 0.417000 1.0079 - 4479 SYS 1493 TIP3 H2 A 0.417000 1.0079 - 4480 SYS 1494 TIP3 O1 C -0.834000 15.9994 - 4481 SYS 1494 TIP3 H1 A 0.417000 1.0079 - 4482 SYS 1494 TIP3 H2 A 0.417000 1.0079 - 4483 SYS 1495 TIP3 O1 C -0.834000 15.9994 - 4484 SYS 1495 TIP3 H1 A 0.417000 1.0079 - 4485 SYS 1495 TIP3 H2 A 0.417000 1.0079 - 4486 SYS 1496 TIP3 O1 C -0.834000 15.9994 - 4487 SYS 1496 TIP3 H1 A 0.417000 1.0079 - 4488 SYS 1496 TIP3 H2 A 0.417000 1.0079 - 4489 SYS 1497 TIP3 O1 C -0.834000 15.9994 - 4490 SYS 1497 TIP3 H1 A 0.417000 1.0079 - 4491 SYS 1497 TIP3 H2 A 0.417000 1.0079 - 4492 SYS 1498 TIP3 O1 C -0.834000 15.9994 - 4493 SYS 1498 TIP3 H1 A 0.417000 1.0079 - 4494 SYS 1498 TIP3 H2 A 0.417000 1.0079 - 4495 SYS 1499 TIP3 O1 C -0.834000 15.9994 - 4496 SYS 1499 TIP3 H1 A 0.417000 1.0079 - 4497 SYS 1499 TIP3 H2 A 0.417000 1.0079 - 4498 SYS 1500 TIP3 O1 C -0.834000 15.9994 - 4499 SYS 1500 TIP3 H1 A 0.417000 1.0079 - 4500 SYS 1500 TIP3 H2 A 0.417000 1.0079 - 4501 SYS 1501 TIP3 O1 C -0.834000 15.9994 - 4502 SYS 1501 TIP3 H1 A 0.417000 1.0079 - 4503 SYS 1501 TIP3 H2 A 0.417000 1.0079 - 4504 SYS 1502 TIP3 O1 C -0.834000 15.9994 - 4505 SYS 1502 TIP3 H1 A 0.417000 1.0079 - 4506 SYS 1502 TIP3 H2 A 0.417000 1.0079 - 4507 SYS 1503 TIP3 O1 C -0.834000 15.9994 - 4508 SYS 1503 TIP3 H1 A 0.417000 1.0079 - 4509 SYS 1503 TIP3 H2 A 0.417000 1.0079 - 4510 SYS 1504 TIP3 O1 C -0.834000 15.9994 - 4511 SYS 1504 TIP3 H1 A 0.417000 1.0079 - 4512 SYS 1504 TIP3 H2 A 0.417000 1.0079 - 4513 SYS 1505 TIP3 O1 C -0.834000 15.9994 - 4514 SYS 1505 TIP3 H1 A 0.417000 1.0079 - 4515 SYS 1505 TIP3 H2 A 0.417000 1.0079 - 4516 SYS 1506 TIP3 O1 C -0.834000 15.9994 - 4517 SYS 1506 TIP3 H1 A 0.417000 1.0079 - 4518 SYS 1506 TIP3 H2 A 0.417000 1.0079 - 4519 SYS 1507 TIP3 O1 C -0.834000 15.9994 - 4520 SYS 1507 TIP3 H1 A 0.417000 1.0079 - 4521 SYS 1507 TIP3 H2 A 0.417000 1.0079 - 4522 SYS 1508 TIP3 O1 C -0.834000 15.9994 - 4523 SYS 1508 TIP3 H1 A 0.417000 1.0079 - 4524 SYS 1508 TIP3 H2 A 0.417000 1.0079 - 4525 SYS 1509 TIP3 O1 C -0.834000 15.9994 - 4526 SYS 1509 TIP3 H1 A 0.417000 1.0079 - 4527 SYS 1509 TIP3 H2 A 0.417000 1.0079 - 4528 SYS 1510 TIP3 O1 C -0.834000 15.9994 - 4529 SYS 1510 TIP3 H1 A 0.417000 1.0079 - 4530 SYS 1510 TIP3 H2 A 0.417000 1.0079 - 4531 SYS 1511 TIP3 O1 C -0.834000 15.9994 - 4532 SYS 1511 TIP3 H1 A 0.417000 1.0079 - 4533 SYS 1511 TIP3 H2 A 0.417000 1.0079 - 4534 SYS 1512 TIP3 O1 C -0.834000 15.9994 - 4535 SYS 1512 TIP3 H1 A 0.417000 1.0079 - 4536 SYS 1512 TIP3 H2 A 0.417000 1.0079 - 4537 SYS 1513 TIP3 O1 C -0.834000 15.9994 - 4538 SYS 1513 TIP3 H1 A 0.417000 1.0079 - 4539 SYS 1513 TIP3 H2 A 0.417000 1.0079 - 4540 SYS 1514 TIP3 O1 C -0.834000 15.9994 - 4541 SYS 1514 TIP3 H1 A 0.417000 1.0079 - 4542 SYS 1514 TIP3 H2 A 0.417000 1.0079 - 4543 SYS 1515 TIP3 O1 C -0.834000 15.9994 - 4544 SYS 1515 TIP3 H1 A 0.417000 1.0079 - 4545 SYS 1515 TIP3 H2 A 0.417000 1.0079 - 4546 SYS 1516 TIP3 O1 C -0.834000 15.9994 - 4547 SYS 1516 TIP3 H1 A 0.417000 1.0079 - 4548 SYS 1516 TIP3 H2 A 0.417000 1.0079 - 4549 SYS 1517 TIP3 O1 C -0.834000 15.9994 - 4550 SYS 1517 TIP3 H1 A 0.417000 1.0079 - 4551 SYS 1517 TIP3 H2 A 0.417000 1.0079 - 4552 SYS 1518 TIP3 O1 C -0.834000 15.9994 - 4553 SYS 1518 TIP3 H1 A 0.417000 1.0079 - 4554 SYS 1518 TIP3 H2 A 0.417000 1.0079 - 4555 SYS 1519 TIP3 O1 C -0.834000 15.9994 - 4556 SYS 1519 TIP3 H1 A 0.417000 1.0079 - 4557 SYS 1519 TIP3 H2 A 0.417000 1.0079 - 4558 SYS 1520 TIP3 O1 C -0.834000 15.9994 - 4559 SYS 1520 TIP3 H1 A 0.417000 1.0079 - 4560 SYS 1520 TIP3 H2 A 0.417000 1.0079 - 4561 SYS 1521 TIP3 O1 C -0.834000 15.9994 - 4562 SYS 1521 TIP3 H1 A 0.417000 1.0079 - 4563 SYS 1521 TIP3 H2 A 0.417000 1.0079 - 4564 SYS 1522 TIP3 O1 C -0.834000 15.9994 - 4565 SYS 1522 TIP3 H1 A 0.417000 1.0079 - 4566 SYS 1522 TIP3 H2 A 0.417000 1.0079 - 4567 SYS 1523 TIP3 O1 C -0.834000 15.9994 - 4568 SYS 1523 TIP3 H1 A 0.417000 1.0079 - 4569 SYS 1523 TIP3 H2 A 0.417000 1.0079 - 4570 SYS 1524 TIP3 O1 C -0.834000 15.9994 - 4571 SYS 1524 TIP3 H1 A 0.417000 1.0079 - 4572 SYS 1524 TIP3 H2 A 0.417000 1.0079 - 4573 SYS 1525 TIP3 O1 C -0.834000 15.9994 - 4574 SYS 1525 TIP3 H1 A 0.417000 1.0079 - 4575 SYS 1525 TIP3 H2 A 0.417000 1.0079 - 4576 SYS 1526 TIP3 O1 C -0.834000 15.9994 - 4577 SYS 1526 TIP3 H1 A 0.417000 1.0079 - 4578 SYS 1526 TIP3 H2 A 0.417000 1.0079 - 4579 SYS 1527 TIP3 O1 C -0.834000 15.9994 - 4580 SYS 1527 TIP3 H1 A 0.417000 1.0079 - 4581 SYS 1527 TIP3 H2 A 0.417000 1.0079 - 4582 SYS 1528 TIP3 O1 C -0.834000 15.9994 - 4583 SYS 1528 TIP3 H1 A 0.417000 1.0079 - 4584 SYS 1528 TIP3 H2 A 0.417000 1.0079 - 4585 SYS 1529 TIP3 O1 C -0.834000 15.9994 - 4586 SYS 1529 TIP3 H1 A 0.417000 1.0079 - 4587 SYS 1529 TIP3 H2 A 0.417000 1.0079 - 4588 SYS 1530 TIP3 O1 C -0.834000 15.9994 - 4589 SYS 1530 TIP3 H1 A 0.417000 1.0079 - 4590 SYS 1530 TIP3 H2 A 0.417000 1.0079 - 4591 SYS 1531 TIP3 O1 C -0.834000 15.9994 - 4592 SYS 1531 TIP3 H1 A 0.417000 1.0079 - 4593 SYS 1531 TIP3 H2 A 0.417000 1.0079 - 4594 SYS 1532 TIP3 O1 C -0.834000 15.9994 - 4595 SYS 1532 TIP3 H1 A 0.417000 1.0079 - 4596 SYS 1532 TIP3 H2 A 0.417000 1.0079 - 4597 SYS 1533 TIP3 O1 C -0.834000 15.9994 - 4598 SYS 1533 TIP3 H1 A 0.417000 1.0079 - 4599 SYS 1533 TIP3 H2 A 0.417000 1.0079 - 4600 SYS 1534 TIP3 O1 C -0.834000 15.9994 - 4601 SYS 1534 TIP3 H1 A 0.417000 1.0079 - 4602 SYS 1534 TIP3 H2 A 0.417000 1.0079 - 4603 SYS 1535 TIP3 O1 C -0.834000 15.9994 - 4604 SYS 1535 TIP3 H1 A 0.417000 1.0079 - 4605 SYS 1535 TIP3 H2 A 0.417000 1.0079 - 4606 SYS 1536 TIP3 O1 C -0.834000 15.9994 - 4607 SYS 1536 TIP3 H1 A 0.417000 1.0079 - 4608 SYS 1536 TIP3 H2 A 0.417000 1.0079 - 4609 SYS 1537 TIP3 O1 C -0.834000 15.9994 - 4610 SYS 1537 TIP3 H1 A 0.417000 1.0079 - 4611 SYS 1537 TIP3 H2 A 0.417000 1.0079 - 4612 SYS 1538 TIP3 O1 C -0.834000 15.9994 - 4613 SYS 1538 TIP3 H1 A 0.417000 1.0079 - 4614 SYS 1538 TIP3 H2 A 0.417000 1.0079 - 4615 SYS 1539 TIP3 O1 C -0.834000 15.9994 - 4616 SYS 1539 TIP3 H1 A 0.417000 1.0079 - 4617 SYS 1539 TIP3 H2 A 0.417000 1.0079 - 4618 SYS 1540 TIP3 O1 C -0.834000 15.9994 - 4619 SYS 1540 TIP3 H1 A 0.417000 1.0079 - 4620 SYS 1540 TIP3 H2 A 0.417000 1.0079 - 4621 SYS 1541 TIP3 O1 C -0.834000 15.9994 - 4622 SYS 1541 TIP3 H1 A 0.417000 1.0079 - 4623 SYS 1541 TIP3 H2 A 0.417000 1.0079 - 4624 SYS 1542 TIP3 O1 C -0.834000 15.9994 - 4625 SYS 1542 TIP3 H1 A 0.417000 1.0079 - 4626 SYS 1542 TIP3 H2 A 0.417000 1.0079 - 4627 SYS 1543 TIP3 O1 C -0.834000 15.9994 - 4628 SYS 1543 TIP3 H1 A 0.417000 1.0079 - 4629 SYS 1543 TIP3 H2 A 0.417000 1.0079 - 4630 SYS 1544 TIP3 O1 C -0.834000 15.9994 - 4631 SYS 1544 TIP3 H1 A 0.417000 1.0079 - 4632 SYS 1544 TIP3 H2 A 0.417000 1.0079 - 4633 SYS 1545 TIP3 O1 C -0.834000 15.9994 - 4634 SYS 1545 TIP3 H1 A 0.417000 1.0079 - 4635 SYS 1545 TIP3 H2 A 0.417000 1.0079 - 4636 SYS 1546 TIP3 O1 C -0.834000 15.9994 - 4637 SYS 1546 TIP3 H1 A 0.417000 1.0079 - 4638 SYS 1546 TIP3 H2 A 0.417000 1.0079 - 4639 SYS 1547 TIP3 O1 C -0.834000 15.9994 - 4640 SYS 1547 TIP3 H1 A 0.417000 1.0079 - 4641 SYS 1547 TIP3 H2 A 0.417000 1.0079 - 4642 SYS 1548 TIP3 O1 C -0.834000 15.9994 - 4643 SYS 1548 TIP3 H1 A 0.417000 1.0079 - 4644 SYS 1548 TIP3 H2 A 0.417000 1.0079 - 4645 SYS 1549 TIP3 O1 C -0.834000 15.9994 - 4646 SYS 1549 TIP3 H1 A 0.417000 1.0079 - 4647 SYS 1549 TIP3 H2 A 0.417000 1.0079 - 4648 SYS 1550 TIP3 O1 C -0.834000 15.9994 - 4649 SYS 1550 TIP3 H1 A 0.417000 1.0079 - 4650 SYS 1550 TIP3 H2 A 0.417000 1.0079 - 4651 SYS 1551 TIP3 O1 C -0.834000 15.9994 - 4652 SYS 1551 TIP3 H1 A 0.417000 1.0079 - 4653 SYS 1551 TIP3 H2 A 0.417000 1.0079 - 4654 SYS 1552 TIP3 O1 C -0.834000 15.9994 - 4655 SYS 1552 TIP3 H1 A 0.417000 1.0079 - 4656 SYS 1552 TIP3 H2 A 0.417000 1.0079 - 4657 SYS 1553 TIP3 O1 C -0.834000 15.9994 - 4658 SYS 1553 TIP3 H1 A 0.417000 1.0079 - 4659 SYS 1553 TIP3 H2 A 0.417000 1.0079 - 4660 SYS 1554 TIP3 O1 C -0.834000 15.9994 - 4661 SYS 1554 TIP3 H1 A 0.417000 1.0079 - 4662 SYS 1554 TIP3 H2 A 0.417000 1.0079 - 4663 SYS 1555 TIP3 O1 C -0.834000 15.9994 - 4664 SYS 1555 TIP3 H1 A 0.417000 1.0079 - 4665 SYS 1555 TIP3 H2 A 0.417000 1.0079 - 4666 SYS 1556 TIP3 O1 C -0.834000 15.9994 - 4667 SYS 1556 TIP3 H1 A 0.417000 1.0079 - 4668 SYS 1556 TIP3 H2 A 0.417000 1.0079 - 4669 SYS 1557 TIP3 O1 C -0.834000 15.9994 - 4670 SYS 1557 TIP3 H1 A 0.417000 1.0079 - 4671 SYS 1557 TIP3 H2 A 0.417000 1.0079 - 4672 SYS 1558 TIP3 O1 C -0.834000 15.9994 - 4673 SYS 1558 TIP3 H1 A 0.417000 1.0079 - 4674 SYS 1558 TIP3 H2 A 0.417000 1.0079 - 4675 SYS 1559 TIP3 O1 C -0.834000 15.9994 - 4676 SYS 1559 TIP3 H1 A 0.417000 1.0079 - 4677 SYS 1559 TIP3 H2 A 0.417000 1.0079 - 4678 SYS 1560 TIP3 O1 C -0.834000 15.9994 - 4679 SYS 1560 TIP3 H1 A 0.417000 1.0079 - 4680 SYS 1560 TIP3 H2 A 0.417000 1.0079 - 4681 SYS 1561 TIP3 O1 C -0.834000 15.9994 - 4682 SYS 1561 TIP3 H1 A 0.417000 1.0079 - 4683 SYS 1561 TIP3 H2 A 0.417000 1.0079 - 4684 SYS 1562 TIP3 O1 C -0.834000 15.9994 - 4685 SYS 1562 TIP3 H1 A 0.417000 1.0079 - 4686 SYS 1562 TIP3 H2 A 0.417000 1.0079 - 4687 SYS 1563 TIP3 O1 C -0.834000 15.9994 - 4688 SYS 1563 TIP3 H1 A 0.417000 1.0079 - 4689 SYS 1563 TIP3 H2 A 0.417000 1.0079 - 4690 SYS 1564 TIP3 O1 C -0.834000 15.9994 - 4691 SYS 1564 TIP3 H1 A 0.417000 1.0079 - 4692 SYS 1564 TIP3 H2 A 0.417000 1.0079 - 4693 SYS 1565 TIP3 O1 C -0.834000 15.9994 - 4694 SYS 1565 TIP3 H1 A 0.417000 1.0079 - 4695 SYS 1565 TIP3 H2 A 0.417000 1.0079 - 4696 SYS 1566 TIP3 O1 C -0.834000 15.9994 - 4697 SYS 1566 TIP3 H1 A 0.417000 1.0079 - 4698 SYS 1566 TIP3 H2 A 0.417000 1.0079 - 4699 SYS 1567 TIP3 O1 C -0.834000 15.9994 - 4700 SYS 1567 TIP3 H1 A 0.417000 1.0079 - 4701 SYS 1567 TIP3 H2 A 0.417000 1.0079 - 4702 SYS 1568 TIP3 O1 C -0.834000 15.9994 - 4703 SYS 1568 TIP3 H1 A 0.417000 1.0079 - 4704 SYS 1568 TIP3 H2 A 0.417000 1.0079 - 4705 SYS 1569 TIP3 O1 C -0.834000 15.9994 - 4706 SYS 1569 TIP3 H1 A 0.417000 1.0079 - 4707 SYS 1569 TIP3 H2 A 0.417000 1.0079 - 4708 SYS 1570 TIP3 O1 C -0.834000 15.9994 - 4709 SYS 1570 TIP3 H1 A 0.417000 1.0079 - 4710 SYS 1570 TIP3 H2 A 0.417000 1.0079 - 4711 SYS 1571 TIP3 O1 C -0.834000 15.9994 - 4712 SYS 1571 TIP3 H1 A 0.417000 1.0079 - 4713 SYS 1571 TIP3 H2 A 0.417000 1.0079 - 4714 SYS 1572 TIP3 O1 C -0.834000 15.9994 - 4715 SYS 1572 TIP3 H1 A 0.417000 1.0079 - 4716 SYS 1572 TIP3 H2 A 0.417000 1.0079 - 4717 SYS 1573 TIP3 O1 C -0.834000 15.9994 - 4718 SYS 1573 TIP3 H1 A 0.417000 1.0079 - 4719 SYS 1573 TIP3 H2 A 0.417000 1.0079 - 4720 SYS 1574 TIP3 O1 C -0.834000 15.9994 - 4721 SYS 1574 TIP3 H1 A 0.417000 1.0079 - 4722 SYS 1574 TIP3 H2 A 0.417000 1.0079 - 4723 SYS 1575 TIP3 O1 C -0.834000 15.9994 - 4724 SYS 1575 TIP3 H1 A 0.417000 1.0079 - 4725 SYS 1575 TIP3 H2 A 0.417000 1.0079 - 4726 SYS 1576 TIP3 O1 C -0.834000 15.9994 - 4727 SYS 1576 TIP3 H1 A 0.417000 1.0079 - 4728 SYS 1576 TIP3 H2 A 0.417000 1.0079 - 4729 SYS 1577 TIP3 O1 C -0.834000 15.9994 - 4730 SYS 1577 TIP3 H1 A 0.417000 1.0079 - 4731 SYS 1577 TIP3 H2 A 0.417000 1.0079 - 4732 SYS 1578 TIP3 O1 C -0.834000 15.9994 - 4733 SYS 1578 TIP3 H1 A 0.417000 1.0079 - 4734 SYS 1578 TIP3 H2 A 0.417000 1.0079 - 4735 SYS 1579 TIP3 O1 C -0.834000 15.9994 - 4736 SYS 1579 TIP3 H1 A 0.417000 1.0079 - 4737 SYS 1579 TIP3 H2 A 0.417000 1.0079 - 4738 SYS 1580 TIP3 O1 C -0.834000 15.9994 - 4739 SYS 1580 TIP3 H1 A 0.417000 1.0079 - 4740 SYS 1580 TIP3 H2 A 0.417000 1.0079 - 4741 SYS 1581 TIP3 O1 C -0.834000 15.9994 - 4742 SYS 1581 TIP3 H1 A 0.417000 1.0079 - 4743 SYS 1581 TIP3 H2 A 0.417000 1.0079 - 4744 SYS 1582 TIP3 O1 C -0.834000 15.9994 - 4745 SYS 1582 TIP3 H1 A 0.417000 1.0079 - 4746 SYS 1582 TIP3 H2 A 0.417000 1.0079 - 4747 SYS 1583 TIP3 O1 C -0.834000 15.9994 - 4748 SYS 1583 TIP3 H1 A 0.417000 1.0079 - 4749 SYS 1583 TIP3 H2 A 0.417000 1.0079 - 4750 SYS 1584 TIP3 O1 C -0.834000 15.9994 - 4751 SYS 1584 TIP3 H1 A 0.417000 1.0079 - 4752 SYS 1584 TIP3 H2 A 0.417000 1.0079 - 4753 SYS 1585 TIP3 O1 C -0.834000 15.9994 - 4754 SYS 1585 TIP3 H1 A 0.417000 1.0079 - 4755 SYS 1585 TIP3 H2 A 0.417000 1.0079 - 4756 SYS 1586 TIP3 O1 C -0.834000 15.9994 - 4757 SYS 1586 TIP3 H1 A 0.417000 1.0079 - 4758 SYS 1586 TIP3 H2 A 0.417000 1.0079 - 4759 SYS 1587 TIP3 O1 C -0.834000 15.9994 - 4760 SYS 1587 TIP3 H1 A 0.417000 1.0079 - 4761 SYS 1587 TIP3 H2 A 0.417000 1.0079 - 4762 SYS 1588 TIP3 O1 C -0.834000 15.9994 - 4763 SYS 1588 TIP3 H1 A 0.417000 1.0079 - 4764 SYS 1588 TIP3 H2 A 0.417000 1.0079 - 4765 SYS 1589 TIP3 O1 C -0.834000 15.9994 - 4766 SYS 1589 TIP3 H1 A 0.417000 1.0079 - 4767 SYS 1589 TIP3 H2 A 0.417000 1.0079 - 4768 SYS 1590 TIP3 O1 C -0.834000 15.9994 - 4769 SYS 1590 TIP3 H1 A 0.417000 1.0079 - 4770 SYS 1590 TIP3 H2 A 0.417000 1.0079 - 4771 SYS 1591 TIP3 O1 C -0.834000 15.9994 - 4772 SYS 1591 TIP3 H1 A 0.417000 1.0079 - 4773 SYS 1591 TIP3 H2 A 0.417000 1.0079 - 4774 SYS 1592 TIP3 O1 C -0.834000 15.9994 - 4775 SYS 1592 TIP3 H1 A 0.417000 1.0079 - 4776 SYS 1592 TIP3 H2 A 0.417000 1.0079 - 4777 SYS 1593 TIP3 O1 C -0.834000 15.9994 - 4778 SYS 1593 TIP3 H1 A 0.417000 1.0079 - 4779 SYS 1593 TIP3 H2 A 0.417000 1.0079 - 4780 SYS 1594 TIP3 O1 C -0.834000 15.9994 - 4781 SYS 1594 TIP3 H1 A 0.417000 1.0079 - 4782 SYS 1594 TIP3 H2 A 0.417000 1.0079 - 4783 SYS 1595 TIP3 O1 C -0.834000 15.9994 - 4784 SYS 1595 TIP3 H1 A 0.417000 1.0079 - 4785 SYS 1595 TIP3 H2 A 0.417000 1.0079 - 4786 SYS 1596 TIP3 O1 C -0.834000 15.9994 - 4787 SYS 1596 TIP3 H1 A 0.417000 1.0079 - 4788 SYS 1596 TIP3 H2 A 0.417000 1.0079 - 4789 SYS 1597 TIP3 O1 C -0.834000 15.9994 - 4790 SYS 1597 TIP3 H1 A 0.417000 1.0079 - 4791 SYS 1597 TIP3 H2 A 0.417000 1.0079 - 4792 SYS 1598 TIP3 O1 C -0.834000 15.9994 - 4793 SYS 1598 TIP3 H1 A 0.417000 1.0079 - 4794 SYS 1598 TIP3 H2 A 0.417000 1.0079 - 4795 SYS 1599 TIP3 O1 C -0.834000 15.9994 - 4796 SYS 1599 TIP3 H1 A 0.417000 1.0079 - 4797 SYS 1599 TIP3 H2 A 0.417000 1.0079 - 4798 SYS 1600 TIP3 O1 C -0.834000 15.9994 - 4799 SYS 1600 TIP3 H1 A 0.417000 1.0079 - 4800 SYS 1600 TIP3 H2 A 0.417000 1.0079 - 4801 SYS 1601 TIP3 O1 C -0.834000 15.9994 - 4802 SYS 1601 TIP3 H1 A 0.417000 1.0079 - 4803 SYS 1601 TIP3 H2 A 0.417000 1.0079 - 4804 SYS 1602 TIP3 O1 C -0.834000 15.9994 - 4805 SYS 1602 TIP3 H1 A 0.417000 1.0079 - 4806 SYS 1602 TIP3 H2 A 0.417000 1.0079 - 4807 SYS 1603 TIP3 O1 C -0.834000 15.9994 - 4808 SYS 1603 TIP3 H1 A 0.417000 1.0079 - 4809 SYS 1603 TIP3 H2 A 0.417000 1.0079 - 4810 SYS 1604 TIP3 O1 C -0.834000 15.9994 - 4811 SYS 1604 TIP3 H1 A 0.417000 1.0079 - 4812 SYS 1604 TIP3 H2 A 0.417000 1.0079 - 4813 SYS 1605 TIP3 O1 C -0.834000 15.9994 - 4814 SYS 1605 TIP3 H1 A 0.417000 1.0079 - 4815 SYS 1605 TIP3 H2 A 0.417000 1.0079 - 4816 SYS 1606 TIP3 O1 C -0.834000 15.9994 - 4817 SYS 1606 TIP3 H1 A 0.417000 1.0079 - 4818 SYS 1606 TIP3 H2 A 0.417000 1.0079 - 4819 SYS 1607 TIP3 O1 C -0.834000 15.9994 - 4820 SYS 1607 TIP3 H1 A 0.417000 1.0079 - 4821 SYS 1607 TIP3 H2 A 0.417000 1.0079 - 4822 SYS 1608 TIP3 O1 C -0.834000 15.9994 - 4823 SYS 1608 TIP3 H1 A 0.417000 1.0079 - 4824 SYS 1608 TIP3 H2 A 0.417000 1.0079 - 4825 SYS 1609 TIP3 O1 C -0.834000 15.9994 - 4826 SYS 1609 TIP3 H1 A 0.417000 1.0079 - 4827 SYS 1609 TIP3 H2 A 0.417000 1.0079 - 4828 SYS 1610 TIP3 O1 C -0.834000 15.9994 - 4829 SYS 1610 TIP3 H1 A 0.417000 1.0079 - 4830 SYS 1610 TIP3 H2 A 0.417000 1.0079 - 4831 SYS 1611 TIP3 O1 C -0.834000 15.9994 - 4832 SYS 1611 TIP3 H1 A 0.417000 1.0079 - 4833 SYS 1611 TIP3 H2 A 0.417000 1.0079 - 4834 SYS 1612 TIP3 O1 C -0.834000 15.9994 - 4835 SYS 1612 TIP3 H1 A 0.417000 1.0079 - 4836 SYS 1612 TIP3 H2 A 0.417000 1.0079 - 4837 SYS 1613 TIP3 O1 C -0.834000 15.9994 - 4838 SYS 1613 TIP3 H1 A 0.417000 1.0079 - 4839 SYS 1613 TIP3 H2 A 0.417000 1.0079 - 4840 SYS 1614 TIP3 O1 C -0.834000 15.9994 - 4841 SYS 1614 TIP3 H1 A 0.417000 1.0079 - 4842 SYS 1614 TIP3 H2 A 0.417000 1.0079 - 4843 SYS 1615 TIP3 O1 C -0.834000 15.9994 - 4844 SYS 1615 TIP3 H1 A 0.417000 1.0079 - 4845 SYS 1615 TIP3 H2 A 0.417000 1.0079 - 4846 SYS 1616 TIP3 O1 C -0.834000 15.9994 - 4847 SYS 1616 TIP3 H1 A 0.417000 1.0079 - 4848 SYS 1616 TIP3 H2 A 0.417000 1.0079 - 4849 SYS 1617 TIP3 O1 C -0.834000 15.9994 - 4850 SYS 1617 TIP3 H1 A 0.417000 1.0079 - 4851 SYS 1617 TIP3 H2 A 0.417000 1.0079 - 4852 SYS 1618 TIP3 O1 C -0.834000 15.9994 - 4853 SYS 1618 TIP3 H1 A 0.417000 1.0079 - 4854 SYS 1618 TIP3 H2 A 0.417000 1.0079 - 4855 SYS 1619 TIP3 O1 C -0.834000 15.9994 - 4856 SYS 1619 TIP3 H1 A 0.417000 1.0079 - 4857 SYS 1619 TIP3 H2 A 0.417000 1.0079 - 4858 SYS 1620 TIP3 O1 C -0.834000 15.9994 - 4859 SYS 1620 TIP3 H1 A 0.417000 1.0079 - 4860 SYS 1620 TIP3 H2 A 0.417000 1.0079 - 4861 SYS 1621 TIP3 O1 C -0.834000 15.9994 - 4862 SYS 1621 TIP3 H1 A 0.417000 1.0079 - 4863 SYS 1621 TIP3 H2 A 0.417000 1.0079 - 4864 SYS 1622 TIP3 O1 C -0.834000 15.9994 - 4865 SYS 1622 TIP3 H1 A 0.417000 1.0079 - 4866 SYS 1622 TIP3 H2 A 0.417000 1.0079 - 4867 SYS 1623 TIP3 O1 C -0.834000 15.9994 - 4868 SYS 1623 TIP3 H1 A 0.417000 1.0079 - 4869 SYS 1623 TIP3 H2 A 0.417000 1.0079 - 4870 SYS 1624 TIP3 O1 C -0.834000 15.9994 - 4871 SYS 1624 TIP3 H1 A 0.417000 1.0079 - 4872 SYS 1624 TIP3 H2 A 0.417000 1.0079 - 4873 SYS 1625 TIP3 O1 C -0.834000 15.9994 - 4874 SYS 1625 TIP3 H1 A 0.417000 1.0079 - 4875 SYS 1625 TIP3 H2 A 0.417000 1.0079 - 4876 SYS 1626 TIP3 O1 C -0.834000 15.9994 - 4877 SYS 1626 TIP3 H1 A 0.417000 1.0079 - 4878 SYS 1626 TIP3 H2 A 0.417000 1.0079 - 4879 SYS 1627 TIP3 O1 C -0.834000 15.9994 - 4880 SYS 1627 TIP3 H1 A 0.417000 1.0079 - 4881 SYS 1627 TIP3 H2 A 0.417000 1.0079 - 4882 SYS 1628 TIP3 O1 C -0.834000 15.9994 - 4883 SYS 1628 TIP3 H1 A 0.417000 1.0079 - 4884 SYS 1628 TIP3 H2 A 0.417000 1.0079 - 4885 SYS 1629 TIP3 O1 C -0.834000 15.9994 - 4886 SYS 1629 TIP3 H1 A 0.417000 1.0079 - 4887 SYS 1629 TIP3 H2 A 0.417000 1.0079 - 4888 SYS 1630 TIP3 O1 C -0.834000 15.9994 - 4889 SYS 1630 TIP3 H1 A 0.417000 1.0079 - 4890 SYS 1630 TIP3 H2 A 0.417000 1.0079 - 4891 SYS 1631 TIP3 O1 C -0.834000 15.9994 - 4892 SYS 1631 TIP3 H1 A 0.417000 1.0079 - 4893 SYS 1631 TIP3 H2 A 0.417000 1.0079 - 4894 SYS 1632 TIP3 O1 C -0.834000 15.9994 - 4895 SYS 1632 TIP3 H1 A 0.417000 1.0079 - 4896 SYS 1632 TIP3 H2 A 0.417000 1.0079 - 4897 SYS 1633 TIP3 O1 C -0.834000 15.9994 - 4898 SYS 1633 TIP3 H1 A 0.417000 1.0079 - 4899 SYS 1633 TIP3 H2 A 0.417000 1.0079 - 4900 SYS 1634 TIP3 O1 C -0.834000 15.9994 - 4901 SYS 1634 TIP3 H1 A 0.417000 1.0079 - 4902 SYS 1634 TIP3 H2 A 0.417000 1.0079 - 4903 SYS 1635 TIP3 O1 C -0.834000 15.9994 - 4904 SYS 1635 TIP3 H1 A 0.417000 1.0079 - 4905 SYS 1635 TIP3 H2 A 0.417000 1.0079 - 4906 SYS 1636 TIP3 O1 C -0.834000 15.9994 - 4907 SYS 1636 TIP3 H1 A 0.417000 1.0079 - 4908 SYS 1636 TIP3 H2 A 0.417000 1.0079 - 4909 SYS 1637 TIP3 O1 C -0.834000 15.9994 - 4910 SYS 1637 TIP3 H1 A 0.417000 1.0079 - 4911 SYS 1637 TIP3 H2 A 0.417000 1.0079 - 4912 SYS 1638 TIP3 O1 C -0.834000 15.9994 - 4913 SYS 1638 TIP3 H1 A 0.417000 1.0079 - 4914 SYS 1638 TIP3 H2 A 0.417000 1.0079 - 4915 SYS 1639 TIP3 O1 C -0.834000 15.9994 - 4916 SYS 1639 TIP3 H1 A 0.417000 1.0079 - 4917 SYS 1639 TIP3 H2 A 0.417000 1.0079 - 4918 SYS 1640 TIP3 O1 C -0.834000 15.9994 - 4919 SYS 1640 TIP3 H1 A 0.417000 1.0079 - 4920 SYS 1640 TIP3 H2 A 0.417000 1.0079 - 4921 SYS 1641 TIP3 O1 C -0.834000 15.9994 - 4922 SYS 1641 TIP3 H1 A 0.417000 1.0079 - 4923 SYS 1641 TIP3 H2 A 0.417000 1.0079 - 4924 SYS 1642 TIP3 O1 C -0.834000 15.9994 - 4925 SYS 1642 TIP3 H1 A 0.417000 1.0079 - 4926 SYS 1642 TIP3 H2 A 0.417000 1.0079 - 4927 SYS 1643 TIP3 O1 C -0.834000 15.9994 - 4928 SYS 1643 TIP3 H1 A 0.417000 1.0079 - 4929 SYS 1643 TIP3 H2 A 0.417000 1.0079 - 4930 SYS 1644 TIP3 O1 C -0.834000 15.9994 - 4931 SYS 1644 TIP3 H1 A 0.417000 1.0079 - 4932 SYS 1644 TIP3 H2 A 0.417000 1.0079 - 4933 SYS 1645 TIP3 O1 C -0.834000 15.9994 - 4934 SYS 1645 TIP3 H1 A 0.417000 1.0079 - 4935 SYS 1645 TIP3 H2 A 0.417000 1.0079 - 4936 SYS 1646 TIP3 O1 C -0.834000 15.9994 - 4937 SYS 1646 TIP3 H1 A 0.417000 1.0079 - 4938 SYS 1646 TIP3 H2 A 0.417000 1.0079 - 4939 SYS 1647 TIP3 O1 C -0.834000 15.9994 - 4940 SYS 1647 TIP3 H1 A 0.417000 1.0079 - 4941 SYS 1647 TIP3 H2 A 0.417000 1.0079 - 4942 SYS 1648 TIP3 O1 C -0.834000 15.9994 - 4943 SYS 1648 TIP3 H1 A 0.417000 1.0079 - 4944 SYS 1648 TIP3 H2 A 0.417000 1.0079 - 4945 SYS 1649 TIP3 O1 C -0.834000 15.9994 - 4946 SYS 1649 TIP3 H1 A 0.417000 1.0079 - 4947 SYS 1649 TIP3 H2 A 0.417000 1.0079 - 4948 SYS 1650 TIP3 O1 C -0.834000 15.9994 - 4949 SYS 1650 TIP3 H1 A 0.417000 1.0079 - 4950 SYS 1650 TIP3 H2 A 0.417000 1.0079 - 4951 SYS 1651 TIP3 O1 C -0.834000 15.9994 - 4952 SYS 1651 TIP3 H1 A 0.417000 1.0079 - 4953 SYS 1651 TIP3 H2 A 0.417000 1.0079 - 4954 SYS 1652 TIP3 O1 C -0.834000 15.9994 - 4955 SYS 1652 TIP3 H1 A 0.417000 1.0079 - 4956 SYS 1652 TIP3 H2 A 0.417000 1.0079 - 4957 SYS 1653 TIP3 O1 C -0.834000 15.9994 - 4958 SYS 1653 TIP3 H1 A 0.417000 1.0079 - 4959 SYS 1653 TIP3 H2 A 0.417000 1.0079 - 4960 SYS 1654 TIP3 O1 C -0.834000 15.9994 - 4961 SYS 1654 TIP3 H1 A 0.417000 1.0079 - 4962 SYS 1654 TIP3 H2 A 0.417000 1.0079 - 4963 SYS 1655 TIP3 O1 C -0.834000 15.9994 - 4964 SYS 1655 TIP3 H1 A 0.417000 1.0079 - 4965 SYS 1655 TIP3 H2 A 0.417000 1.0079 - 4966 SYS 1656 TIP3 O1 C -0.834000 15.9994 - 4967 SYS 1656 TIP3 H1 A 0.417000 1.0079 - 4968 SYS 1656 TIP3 H2 A 0.417000 1.0079 - 4969 SYS 1657 TIP3 O1 C -0.834000 15.9994 - 4970 SYS 1657 TIP3 H1 A 0.417000 1.0079 - 4971 SYS 1657 TIP3 H2 A 0.417000 1.0079 - 4972 SYS 1658 TIP3 O1 C -0.834000 15.9994 - 4973 SYS 1658 TIP3 H1 A 0.417000 1.0079 - 4974 SYS 1658 TIP3 H2 A 0.417000 1.0079 - 4975 SYS 1659 TIP3 O1 C -0.834000 15.9994 - 4976 SYS 1659 TIP3 H1 A 0.417000 1.0079 - 4977 SYS 1659 TIP3 H2 A 0.417000 1.0079 - 4978 SYS 1660 TIP3 O1 C -0.834000 15.9994 - 4979 SYS 1660 TIP3 H1 A 0.417000 1.0079 - 4980 SYS 1660 TIP3 H2 A 0.417000 1.0079 - 4981 SYS 1661 TIP3 O1 C -0.834000 15.9994 - 4982 SYS 1661 TIP3 H1 A 0.417000 1.0079 - 4983 SYS 1661 TIP3 H2 A 0.417000 1.0079 - 4984 SYS 1662 TIP3 O1 C -0.834000 15.9994 - 4985 SYS 1662 TIP3 H1 A 0.417000 1.0079 - 4986 SYS 1662 TIP3 H2 A 0.417000 1.0079 - 4987 SYS 1663 TIP3 O1 C -0.834000 15.9994 - 4988 SYS 1663 TIP3 H1 A 0.417000 1.0079 - 4989 SYS 1663 TIP3 H2 A 0.417000 1.0079 - 4990 SYS 1664 TIP3 O1 C -0.834000 15.9994 - 4991 SYS 1664 TIP3 H1 A 0.417000 1.0079 - 4992 SYS 1664 TIP3 H2 A 0.417000 1.0079 - 4993 SYS 1665 TIP3 O1 C -0.834000 15.9994 - 4994 SYS 1665 TIP3 H1 A 0.417000 1.0079 - 4995 SYS 1665 TIP3 H2 A 0.417000 1.0079 - 4996 SYS 1666 TIP3 O1 C -0.834000 15.9994 - 4997 SYS 1666 TIP3 H1 A 0.417000 1.0079 - 4998 SYS 1666 TIP3 H2 A 0.417000 1.0079 - 4999 SYS 1667 TIP3 O1 C -0.834000 15.9994 - 5000 SYS 1667 TIP3 H1 A 0.417000 1.0079 - 5001 SYS 1667 TIP3 H2 A 0.417000 1.0079 - 5002 SYS 1668 TIP3 O1 C -0.834000 15.9994 - 5003 SYS 1668 TIP3 H1 A 0.417000 1.0079 - 5004 SYS 1668 TIP3 H2 A 0.417000 1.0079 - 5005 SYS 1669 TIP3 O1 C -0.834000 15.9994 - 5006 SYS 1669 TIP3 H1 A 0.417000 1.0079 - 5007 SYS 1669 TIP3 H2 A 0.417000 1.0079 - 5008 SYS 1670 TIP3 O1 C -0.834000 15.9994 - 5009 SYS 1670 TIP3 H1 A 0.417000 1.0079 - 5010 SYS 1670 TIP3 H2 A 0.417000 1.0079 - 5011 SYS 1671 TIP3 O1 C -0.834000 15.9994 - 5012 SYS 1671 TIP3 H1 A 0.417000 1.0079 - 5013 SYS 1671 TIP3 H2 A 0.417000 1.0079 - 5014 SYS 1672 TIP3 O1 C -0.834000 15.9994 - 5015 SYS 1672 TIP3 H1 A 0.417000 1.0079 - 5016 SYS 1672 TIP3 H2 A 0.417000 1.0079 - 5017 SYS 1673 TIP3 O1 C -0.834000 15.9994 - 5018 SYS 1673 TIP3 H1 A 0.417000 1.0079 - 5019 SYS 1673 TIP3 H2 A 0.417000 1.0079 - 5020 SYS 1674 TIP3 O1 C -0.834000 15.9994 - 5021 SYS 1674 TIP3 H1 A 0.417000 1.0079 - 5022 SYS 1674 TIP3 H2 A 0.417000 1.0079 - 5023 SYS 1675 TIP3 O1 C -0.834000 15.9994 - 5024 SYS 1675 TIP3 H1 A 0.417000 1.0079 - 5025 SYS 1675 TIP3 H2 A 0.417000 1.0079 - 5026 SYS 1676 TIP3 O1 C -0.834000 15.9994 - 5027 SYS 1676 TIP3 H1 A 0.417000 1.0079 - 5028 SYS 1676 TIP3 H2 A 0.417000 1.0079 - 5029 SYS 1677 TIP3 O1 C -0.834000 15.9994 - 5030 SYS 1677 TIP3 H1 A 0.417000 1.0079 - 5031 SYS 1677 TIP3 H2 A 0.417000 1.0079 - 5032 SYS 1678 TIP3 O1 C -0.834000 15.9994 - 5033 SYS 1678 TIP3 H1 A 0.417000 1.0079 - 5034 SYS 1678 TIP3 H2 A 0.417000 1.0079 - 5035 SYS 1679 TIP3 O1 C -0.834000 15.9994 - 5036 SYS 1679 TIP3 H1 A 0.417000 1.0079 - 5037 SYS 1679 TIP3 H2 A 0.417000 1.0079 - 5038 SYS 1680 TIP3 O1 C -0.834000 15.9994 - 5039 SYS 1680 TIP3 H1 A 0.417000 1.0079 - 5040 SYS 1680 TIP3 H2 A 0.417000 1.0079 - 5041 SYS 1681 TIP3 O1 C -0.834000 15.9994 - 5042 SYS 1681 TIP3 H1 A 0.417000 1.0079 - 5043 SYS 1681 TIP3 H2 A 0.417000 1.0079 - 5044 SYS 1682 TIP3 O1 C -0.834000 15.9994 - 5045 SYS 1682 TIP3 H1 A 0.417000 1.0079 - 5046 SYS 1682 TIP3 H2 A 0.417000 1.0079 - 5047 SYS 1683 TIP3 O1 C -0.834000 15.9994 - 5048 SYS 1683 TIP3 H1 A 0.417000 1.0079 - 5049 SYS 1683 TIP3 H2 A 0.417000 1.0079 - 5050 SYS 1684 TIP3 O1 C -0.834000 15.9994 - 5051 SYS 1684 TIP3 H1 A 0.417000 1.0079 - 5052 SYS 1684 TIP3 H2 A 0.417000 1.0079 - 5053 SYS 1685 TIP3 O1 C -0.834000 15.9994 - 5054 SYS 1685 TIP3 H1 A 0.417000 1.0079 - 5055 SYS 1685 TIP3 H2 A 0.417000 1.0079 - 5056 SYS 1686 TIP3 O1 C -0.834000 15.9994 - 5057 SYS 1686 TIP3 H1 A 0.417000 1.0079 - 5058 SYS 1686 TIP3 H2 A 0.417000 1.0079 - 5059 SYS 1687 TIP3 O1 C -0.834000 15.9994 - 5060 SYS 1687 TIP3 H1 A 0.417000 1.0079 - 5061 SYS 1687 TIP3 H2 A 0.417000 1.0079 - 5062 SYS 1688 TIP3 O1 C -0.834000 15.9994 - 5063 SYS 1688 TIP3 H1 A 0.417000 1.0079 - 5064 SYS 1688 TIP3 H2 A 0.417000 1.0079 - 5065 SYS 1689 TIP3 O1 C -0.834000 15.9994 - 5066 SYS 1689 TIP3 H1 A 0.417000 1.0079 - 5067 SYS 1689 TIP3 H2 A 0.417000 1.0079 - 5068 SYS 1690 TIP3 O1 C -0.834000 15.9994 - 5069 SYS 1690 TIP3 H1 A 0.417000 1.0079 - 5070 SYS 1690 TIP3 H2 A 0.417000 1.0079 - 5071 SYS 1691 TIP3 O1 C -0.834000 15.9994 - 5072 SYS 1691 TIP3 H1 A 0.417000 1.0079 - 5073 SYS 1691 TIP3 H2 A 0.417000 1.0079 - 5074 SYS 1692 TIP3 O1 C -0.834000 15.9994 - 5075 SYS 1692 TIP3 H1 A 0.417000 1.0079 - 5076 SYS 1692 TIP3 H2 A 0.417000 1.0079 - 5077 SYS 1693 TIP3 O1 C -0.834000 15.9994 - 5078 SYS 1693 TIP3 H1 A 0.417000 1.0079 - 5079 SYS 1693 TIP3 H2 A 0.417000 1.0079 - 5080 SYS 1694 TIP3 O1 C -0.834000 15.9994 - 5081 SYS 1694 TIP3 H1 A 0.417000 1.0079 - 5082 SYS 1694 TIP3 H2 A 0.417000 1.0079 - 5083 SYS 1695 TIP3 O1 C -0.834000 15.9994 - 5084 SYS 1695 TIP3 H1 A 0.417000 1.0079 - 5085 SYS 1695 TIP3 H2 A 0.417000 1.0079 - 5086 SYS 1696 TIP3 O1 C -0.834000 15.9994 - 5087 SYS 1696 TIP3 H1 A 0.417000 1.0079 - 5088 SYS 1696 TIP3 H2 A 0.417000 1.0079 - 5089 SYS 1697 TIP3 O1 C -0.834000 15.9994 - 5090 SYS 1697 TIP3 H1 A 0.417000 1.0079 - 5091 SYS 1697 TIP3 H2 A 0.417000 1.0079 - 5092 SYS 1698 TIP3 O1 C -0.834000 15.9994 - 5093 SYS 1698 TIP3 H1 A 0.417000 1.0079 - 5094 SYS 1698 TIP3 H2 A 0.417000 1.0079 - 5095 SYS 1699 TIP3 O1 C -0.834000 15.9994 - 5096 SYS 1699 TIP3 H1 A 0.417000 1.0079 - 5097 SYS 1699 TIP3 H2 A 0.417000 1.0079 - 5098 SYS 1700 TIP3 O1 C -0.834000 15.9994 - 5099 SYS 1700 TIP3 H1 A 0.417000 1.0079 - 5100 SYS 1700 TIP3 H2 A 0.417000 1.0079 - 5101 SYS 1701 TIP3 O1 C -0.834000 15.9994 - 5102 SYS 1701 TIP3 H1 A 0.417000 1.0079 - 5103 SYS 1701 TIP3 H2 A 0.417000 1.0079 - 5104 SYS 1702 TIP3 O1 C -0.834000 15.9994 - 5105 SYS 1702 TIP3 H1 A 0.417000 1.0079 - 5106 SYS 1702 TIP3 H2 A 0.417000 1.0079 - 5107 SYS 1703 TIP3 O1 C -0.834000 15.9994 - 5108 SYS 1703 TIP3 H1 A 0.417000 1.0079 - 5109 SYS 1703 TIP3 H2 A 0.417000 1.0079 - 5110 SYS 1704 TIP3 O1 C -0.834000 15.9994 - 5111 SYS 1704 TIP3 H1 A 0.417000 1.0079 - 5112 SYS 1704 TIP3 H2 A 0.417000 1.0079 - 5113 SYS 1705 TIP3 O1 C -0.834000 15.9994 - 5114 SYS 1705 TIP3 H1 A 0.417000 1.0079 - 5115 SYS 1705 TIP3 H2 A 0.417000 1.0079 - 5116 SYS 1706 TIP3 O1 C -0.834000 15.9994 - 5117 SYS 1706 TIP3 H1 A 0.417000 1.0079 - 5118 SYS 1706 TIP3 H2 A 0.417000 1.0079 - 5119 SYS 1707 TIP3 O1 C -0.834000 15.9994 - 5120 SYS 1707 TIP3 H1 A 0.417000 1.0079 - 5121 SYS 1707 TIP3 H2 A 0.417000 1.0079 - 5122 SYS 1708 TIP3 O1 C -0.834000 15.9994 - 5123 SYS 1708 TIP3 H1 A 0.417000 1.0079 - 5124 SYS 1708 TIP3 H2 A 0.417000 1.0079 - 5125 SYS 1709 TIP3 O1 C -0.834000 15.9994 - 5126 SYS 1709 TIP3 H1 A 0.417000 1.0079 - 5127 SYS 1709 TIP3 H2 A 0.417000 1.0079 - 5128 SYS 1710 TIP3 O1 C -0.834000 15.9994 - 5129 SYS 1710 TIP3 H1 A 0.417000 1.0079 - 5130 SYS 1710 TIP3 H2 A 0.417000 1.0079 - 5131 SYS 1711 TIP3 O1 C -0.834000 15.9994 - 5132 SYS 1711 TIP3 H1 A 0.417000 1.0079 - 5133 SYS 1711 TIP3 H2 A 0.417000 1.0079 - 5134 SYS 1712 TIP3 O1 C -0.834000 15.9994 - 5135 SYS 1712 TIP3 H1 A 0.417000 1.0079 - 5136 SYS 1712 TIP3 H2 A 0.417000 1.0079 - 5137 SYS 1713 TIP3 O1 C -0.834000 15.9994 - 5138 SYS 1713 TIP3 H1 A 0.417000 1.0079 - 5139 SYS 1713 TIP3 H2 A 0.417000 1.0079 - 5140 SYS 1714 TIP3 O1 C -0.834000 15.9994 - 5141 SYS 1714 TIP3 H1 A 0.417000 1.0079 - 5142 SYS 1714 TIP3 H2 A 0.417000 1.0079 - 5143 SYS 1715 TIP3 O1 C -0.834000 15.9994 - 5144 SYS 1715 TIP3 H1 A 0.417000 1.0079 - 5145 SYS 1715 TIP3 H2 A 0.417000 1.0079 - 5146 SYS 1716 TIP3 O1 C -0.834000 15.9994 - 5147 SYS 1716 TIP3 H1 A 0.417000 1.0079 - 5148 SYS 1716 TIP3 H2 A 0.417000 1.0079 - 5149 SYS 1717 TIP3 O1 C -0.834000 15.9994 - 5150 SYS 1717 TIP3 H1 A 0.417000 1.0079 - 5151 SYS 1717 TIP3 H2 A 0.417000 1.0079 - 5152 SYS 1718 TIP3 O1 C -0.834000 15.9994 - 5153 SYS 1718 TIP3 H1 A 0.417000 1.0079 - 5154 SYS 1718 TIP3 H2 A 0.417000 1.0079 - 5155 SYS 1719 TIP3 O1 C -0.834000 15.9994 - 5156 SYS 1719 TIP3 H1 A 0.417000 1.0079 - 5157 SYS 1719 TIP3 H2 A 0.417000 1.0079 - 5158 SYS 1720 TIP3 O1 C -0.834000 15.9994 - 5159 SYS 1720 TIP3 H1 A 0.417000 1.0079 - 5160 SYS 1720 TIP3 H2 A 0.417000 1.0079 - 5161 SYS 1721 TIP3 O1 C -0.834000 15.9994 - 5162 SYS 1721 TIP3 H1 A 0.417000 1.0079 - 5163 SYS 1721 TIP3 H2 A 0.417000 1.0079 - 5164 SYS 1722 TIP3 O1 C -0.834000 15.9994 - 5165 SYS 1722 TIP3 H1 A 0.417000 1.0079 - 5166 SYS 1722 TIP3 H2 A 0.417000 1.0079 - 5167 SYS 1723 TIP3 O1 C -0.834000 15.9994 - 5168 SYS 1723 TIP3 H1 A 0.417000 1.0079 - 5169 SYS 1723 TIP3 H2 A 0.417000 1.0079 - 5170 SYS 1724 TIP3 O1 C -0.834000 15.9994 - 5171 SYS 1724 TIP3 H1 A 0.417000 1.0079 - 5172 SYS 1724 TIP3 H2 A 0.417000 1.0079 - 5173 SYS 1725 TIP3 O1 C -0.834000 15.9994 - 5174 SYS 1725 TIP3 H1 A 0.417000 1.0079 - 5175 SYS 1725 TIP3 H2 A 0.417000 1.0079 - 5176 SYS 1726 TIP3 O1 C -0.834000 15.9994 - 5177 SYS 1726 TIP3 H1 A 0.417000 1.0079 - 5178 SYS 1726 TIP3 H2 A 0.417000 1.0079 - 5179 SYS 1727 TIP3 O1 C -0.834000 15.9994 - 5180 SYS 1727 TIP3 H1 A 0.417000 1.0079 - 5181 SYS 1727 TIP3 H2 A 0.417000 1.0079 - 5182 SYS 1728 TIP3 O1 C -0.834000 15.9994 - 5183 SYS 1728 TIP3 H1 A 0.417000 1.0079 - 5184 SYS 1728 TIP3 H2 A 0.417000 1.0079 - 5185 SYS 1729 TIP3 O1 C -0.834000 15.9994 - 5186 SYS 1729 TIP3 H1 A 0.417000 1.0079 - 5187 SYS 1729 TIP3 H2 A 0.417000 1.0079 - 5188 SYS 1730 TIP3 O1 C -0.834000 15.9994 - 5189 SYS 1730 TIP3 H1 A 0.417000 1.0079 - 5190 SYS 1730 TIP3 H2 A 0.417000 1.0079 - 5191 SYS 1731 TIP3 O1 C -0.834000 15.9994 - 5192 SYS 1731 TIP3 H1 A 0.417000 1.0079 - 5193 SYS 1731 TIP3 H2 A 0.417000 1.0079 - 5194 SYS 1732 TIP3 O1 C -0.834000 15.9994 - 5195 SYS 1732 TIP3 H1 A 0.417000 1.0079 - 5196 SYS 1732 TIP3 H2 A 0.417000 1.0079 - 5197 SYS 1733 TIP3 O1 C -0.834000 15.9994 - 5198 SYS 1733 TIP3 H1 A 0.417000 1.0079 - 5199 SYS 1733 TIP3 H2 A 0.417000 1.0079 - 5200 SYS 1734 TIP3 O1 C -0.834000 15.9994 - 5201 SYS 1734 TIP3 H1 A 0.417000 1.0079 - 5202 SYS 1734 TIP3 H2 A 0.417000 1.0079 - 5203 SYS 1735 TIP3 O1 C -0.834000 15.9994 - 5204 SYS 1735 TIP3 H1 A 0.417000 1.0079 - 5205 SYS 1735 TIP3 H2 A 0.417000 1.0079 - 5206 SYS 1736 TIP3 O1 C -0.834000 15.9994 - 5207 SYS 1736 TIP3 H1 A 0.417000 1.0079 - 5208 SYS 1736 TIP3 H2 A 0.417000 1.0079 - 5209 SYS 1737 TIP3 O1 C -0.834000 15.9994 - 5210 SYS 1737 TIP3 H1 A 0.417000 1.0079 - 5211 SYS 1737 TIP3 H2 A 0.417000 1.0079 - 5212 SYS 1738 TIP3 O1 C -0.834000 15.9994 - 5213 SYS 1738 TIP3 H1 A 0.417000 1.0079 - 5214 SYS 1738 TIP3 H2 A 0.417000 1.0079 - 5215 SYS 1739 TIP3 O1 C -0.834000 15.9994 - 5216 SYS 1739 TIP3 H1 A 0.417000 1.0079 - 5217 SYS 1739 TIP3 H2 A 0.417000 1.0079 - 5218 SYS 1740 TIP3 O1 C -0.834000 15.9994 - 5219 SYS 1740 TIP3 H1 A 0.417000 1.0079 - 5220 SYS 1740 TIP3 H2 A 0.417000 1.0079 - 5221 SYS 1741 TIP3 O1 C -0.834000 15.9994 - 5222 SYS 1741 TIP3 H1 A 0.417000 1.0079 - 5223 SYS 1741 TIP3 H2 A 0.417000 1.0079 - 5224 SYS 1742 TIP3 O1 C -0.834000 15.9994 - 5225 SYS 1742 TIP3 H1 A 0.417000 1.0079 - 5226 SYS 1742 TIP3 H2 A 0.417000 1.0079 - 5227 SYS 1743 TIP3 O1 C -0.834000 15.9994 - 5228 SYS 1743 TIP3 H1 A 0.417000 1.0079 - 5229 SYS 1743 TIP3 H2 A 0.417000 1.0079 - 5230 SYS 1744 TIP3 O1 C -0.834000 15.9994 - 5231 SYS 1744 TIP3 H1 A 0.417000 1.0079 - 5232 SYS 1744 TIP3 H2 A 0.417000 1.0079 - 5233 SYS 1745 TIP3 O1 C -0.834000 15.9994 - 5234 SYS 1745 TIP3 H1 A 0.417000 1.0079 - 5235 SYS 1745 TIP3 H2 A 0.417000 1.0079 - 5236 SYS 1746 TIP3 O1 C -0.834000 15.9994 - 5237 SYS 1746 TIP3 H1 A 0.417000 1.0079 - 5238 SYS 1746 TIP3 H2 A 0.417000 1.0079 - 5239 SYS 1747 TIP3 O1 C -0.834000 15.9994 - 5240 SYS 1747 TIP3 H1 A 0.417000 1.0079 - 5241 SYS 1747 TIP3 H2 A 0.417000 1.0079 - 5242 SYS 1748 TIP3 O1 C -0.834000 15.9994 - 5243 SYS 1748 TIP3 H1 A 0.417000 1.0079 - 5244 SYS 1748 TIP3 H2 A 0.417000 1.0079 - 5245 SYS 1749 TIP3 O1 C -0.834000 15.9994 - 5246 SYS 1749 TIP3 H1 A 0.417000 1.0079 - 5247 SYS 1749 TIP3 H2 A 0.417000 1.0079 - 5248 SYS 1750 TIP3 O1 C -0.834000 15.9994 - 5249 SYS 1750 TIP3 H1 A 0.417000 1.0079 - 5250 SYS 1750 TIP3 H2 A 0.417000 1.0079 - 5251 SYS 1751 TIP3 O1 C -0.834000 15.9994 - 5252 SYS 1751 TIP3 H1 A 0.417000 1.0079 - 5253 SYS 1751 TIP3 H2 A 0.417000 1.0079 - 5254 SYS 1752 TIP3 O1 C -0.834000 15.9994 - 5255 SYS 1752 TIP3 H1 A 0.417000 1.0079 - 5256 SYS 1752 TIP3 H2 A 0.417000 1.0079 - 5257 SYS 1753 TIP3 O1 C -0.834000 15.9994 - 5258 SYS 1753 TIP3 H1 A 0.417000 1.0079 - 5259 SYS 1753 TIP3 H2 A 0.417000 1.0079 - 5260 SYS 1754 TIP3 O1 C -0.834000 15.9994 - 5261 SYS 1754 TIP3 H1 A 0.417000 1.0079 - 5262 SYS 1754 TIP3 H2 A 0.417000 1.0079 - 5263 SYS 1755 TIP3 O1 C -0.834000 15.9994 - 5264 SYS 1755 TIP3 H1 A 0.417000 1.0079 - 5265 SYS 1755 TIP3 H2 A 0.417000 1.0079 - 5266 SYS 1756 TIP3 O1 C -0.834000 15.9994 - 5267 SYS 1756 TIP3 H1 A 0.417000 1.0079 - 5268 SYS 1756 TIP3 H2 A 0.417000 1.0079 - 5269 SYS 1757 TIP3 O1 C -0.834000 15.9994 - 5270 SYS 1757 TIP3 H1 A 0.417000 1.0079 - 5271 SYS 1757 TIP3 H2 A 0.417000 1.0079 - 5272 SYS 1758 TIP3 O1 C -0.834000 15.9994 - 5273 SYS 1758 TIP3 H1 A 0.417000 1.0079 - 5274 SYS 1758 TIP3 H2 A 0.417000 1.0079 - 5275 SYS 1759 TIP3 O1 C -0.834000 15.9994 - 5276 SYS 1759 TIP3 H1 A 0.417000 1.0079 - 5277 SYS 1759 TIP3 H2 A 0.417000 1.0079 - 5278 SYS 1760 TIP3 O1 C -0.834000 15.9994 - 5279 SYS 1760 TIP3 H1 A 0.417000 1.0079 - 5280 SYS 1760 TIP3 H2 A 0.417000 1.0079 - 5281 SYS 1761 TIP3 O1 C -0.834000 15.9994 - 5282 SYS 1761 TIP3 H1 A 0.417000 1.0079 - 5283 SYS 1761 TIP3 H2 A 0.417000 1.0079 - 5284 SYS 1762 TIP3 O1 C -0.834000 15.9994 - 5285 SYS 1762 TIP3 H1 A 0.417000 1.0079 - 5286 SYS 1762 TIP3 H2 A 0.417000 1.0079 - 5287 SYS 1763 TIP3 O1 C -0.834000 15.9994 - 5288 SYS 1763 TIP3 H1 A 0.417000 1.0079 - 5289 SYS 1763 TIP3 H2 A 0.417000 1.0079 - 5290 SYS 1764 TIP3 O1 C -0.834000 15.9994 - 5291 SYS 1764 TIP3 H1 A 0.417000 1.0079 - 5292 SYS 1764 TIP3 H2 A 0.417000 1.0079 - 5293 SYS 1765 TIP3 O1 C -0.834000 15.9994 - 5294 SYS 1765 TIP3 H1 A 0.417000 1.0079 - 5295 SYS 1765 TIP3 H2 A 0.417000 1.0079 - 5296 SYS 1766 TIP3 O1 C -0.834000 15.9994 - 5297 SYS 1766 TIP3 H1 A 0.417000 1.0079 - 5298 SYS 1766 TIP3 H2 A 0.417000 1.0079 - 5299 SYS 1767 TIP3 O1 C -0.834000 15.9994 - 5300 SYS 1767 TIP3 H1 A 0.417000 1.0079 - 5301 SYS 1767 TIP3 H2 A 0.417000 1.0079 - 5302 SYS 1768 TIP3 O1 C -0.834000 15.9994 - 5303 SYS 1768 TIP3 H1 A 0.417000 1.0079 - 5304 SYS 1768 TIP3 H2 A 0.417000 1.0079 - 5305 SYS 1769 TIP3 O1 C -0.834000 15.9994 - 5306 SYS 1769 TIP3 H1 A 0.417000 1.0079 - 5307 SYS 1769 TIP3 H2 A 0.417000 1.0079 - 5308 SYS 1770 TIP3 O1 C -0.834000 15.9994 - 5309 SYS 1770 TIP3 H1 A 0.417000 1.0079 - 5310 SYS 1770 TIP3 H2 A 0.417000 1.0079 - 5311 SYS 1771 TIP3 O1 C -0.834000 15.9994 - 5312 SYS 1771 TIP3 H1 A 0.417000 1.0079 - 5313 SYS 1771 TIP3 H2 A 0.417000 1.0079 - 5314 SYS 1772 TIP3 O1 C -0.834000 15.9994 - 5315 SYS 1772 TIP3 H1 A 0.417000 1.0079 - 5316 SYS 1772 TIP3 H2 A 0.417000 1.0079 - 5317 SYS 1773 TIP3 O1 C -0.834000 15.9994 - 5318 SYS 1773 TIP3 H1 A 0.417000 1.0079 - 5319 SYS 1773 TIP3 H2 A 0.417000 1.0079 - 5320 SYS 1774 TIP3 O1 C -0.834000 15.9994 - 5321 SYS 1774 TIP3 H1 A 0.417000 1.0079 - 5322 SYS 1774 TIP3 H2 A 0.417000 1.0079 - 5323 SYS 1775 TIP3 O1 C -0.834000 15.9994 - 5324 SYS 1775 TIP3 H1 A 0.417000 1.0079 - 5325 SYS 1775 TIP3 H2 A 0.417000 1.0079 - 5326 SYS 1776 TIP3 O1 C -0.834000 15.9994 - 5327 SYS 1776 TIP3 H1 A 0.417000 1.0079 - 5328 SYS 1776 TIP3 H2 A 0.417000 1.0079 - 5329 SYS 1777 TIP3 O1 C -0.834000 15.9994 - 5330 SYS 1777 TIP3 H1 A 0.417000 1.0079 - 5331 SYS 1777 TIP3 H2 A 0.417000 1.0079 - 5332 SYS 1778 TIP3 O1 C -0.834000 15.9994 - 5333 SYS 1778 TIP3 H1 A 0.417000 1.0079 - 5334 SYS 1778 TIP3 H2 A 0.417000 1.0079 - 5335 SYS 1779 TIP3 O1 C -0.834000 15.9994 - 5336 SYS 1779 TIP3 H1 A 0.417000 1.0079 - 5337 SYS 1779 TIP3 H2 A 0.417000 1.0079 - 5338 SYS 1780 TIP3 O1 C -0.834000 15.9994 - 5339 SYS 1780 TIP3 H1 A 0.417000 1.0079 - 5340 SYS 1780 TIP3 H2 A 0.417000 1.0079 - 5341 SYS 1781 TIP3 O1 C -0.834000 15.9994 - 5342 SYS 1781 TIP3 H1 A 0.417000 1.0079 - 5343 SYS 1781 TIP3 H2 A 0.417000 1.0079 - 5344 SYS 1782 TIP3 O1 C -0.834000 15.9994 - 5345 SYS 1782 TIP3 H1 A 0.417000 1.0079 - 5346 SYS 1782 TIP3 H2 A 0.417000 1.0079 - 5347 SYS 1783 TIP3 O1 C -0.834000 15.9994 - 5348 SYS 1783 TIP3 H1 A 0.417000 1.0079 - 5349 SYS 1783 TIP3 H2 A 0.417000 1.0079 - 5350 SYS 1784 TIP3 O1 C -0.834000 15.9994 - 5351 SYS 1784 TIP3 H1 A 0.417000 1.0079 - 5352 SYS 1784 TIP3 H2 A 0.417000 1.0079 - 5353 SYS 1785 TIP3 O1 C -0.834000 15.9994 - 5354 SYS 1785 TIP3 H1 A 0.417000 1.0079 - 5355 SYS 1785 TIP3 H2 A 0.417000 1.0079 - 5356 SYS 1786 TIP3 O1 C -0.834000 15.9994 - 5357 SYS 1786 TIP3 H1 A 0.417000 1.0079 - 5358 SYS 1786 TIP3 H2 A 0.417000 1.0079 - 5359 SYS 1787 TIP3 O1 C -0.834000 15.9994 - 5360 SYS 1787 TIP3 H1 A 0.417000 1.0079 - 5361 SYS 1787 TIP3 H2 A 0.417000 1.0079 - 5362 SYS 1788 TIP3 O1 C -0.834000 15.9994 - 5363 SYS 1788 TIP3 H1 A 0.417000 1.0079 - 5364 SYS 1788 TIP3 H2 A 0.417000 1.0079 - 5365 SYS 1789 TIP3 O1 C -0.834000 15.9994 - 5366 SYS 1789 TIP3 H1 A 0.417000 1.0079 - 5367 SYS 1789 TIP3 H2 A 0.417000 1.0079 - 5368 SYS 1790 TIP3 O1 C -0.834000 15.9994 - 5369 SYS 1790 TIP3 H1 A 0.417000 1.0079 - 5370 SYS 1790 TIP3 H2 A 0.417000 1.0079 - 5371 SYS 1791 TIP3 O1 C -0.834000 15.9994 - 5372 SYS 1791 TIP3 H1 A 0.417000 1.0079 - 5373 SYS 1791 TIP3 H2 A 0.417000 1.0079 - 5374 SYS 1792 TIP3 O1 C -0.834000 15.9994 - 5375 SYS 1792 TIP3 H1 A 0.417000 1.0079 - 5376 SYS 1792 TIP3 H2 A 0.417000 1.0079 - 5377 SYS 1793 TIP3 O1 C -0.834000 15.9994 - 5378 SYS 1793 TIP3 H1 A 0.417000 1.0079 - 5379 SYS 1793 TIP3 H2 A 0.417000 1.0079 - 5380 SYS 1794 TIP3 O1 C -0.834000 15.9994 - 5381 SYS 1794 TIP3 H1 A 0.417000 1.0079 - 5382 SYS 1794 TIP3 H2 A 0.417000 1.0079 - 5383 SYS 1795 TIP3 O1 C -0.834000 15.9994 - 5384 SYS 1795 TIP3 H1 A 0.417000 1.0079 - 5385 SYS 1795 TIP3 H2 A 0.417000 1.0079 - 5386 SYS 1796 TIP3 O1 C -0.834000 15.9994 - 5387 SYS 1796 TIP3 H1 A 0.417000 1.0079 - 5388 SYS 1796 TIP3 H2 A 0.417000 1.0079 - 5389 SYS 1797 TIP3 O1 C -0.834000 15.9994 - 5390 SYS 1797 TIP3 H1 A 0.417000 1.0079 - 5391 SYS 1797 TIP3 H2 A 0.417000 1.0079 - 5392 SYS 1798 TIP3 O1 C -0.834000 15.9994 - 5393 SYS 1798 TIP3 H1 A 0.417000 1.0079 - 5394 SYS 1798 TIP3 H2 A 0.417000 1.0079 - 5395 SYS 1799 TIP3 O1 C -0.834000 15.9994 - 5396 SYS 1799 TIP3 H1 A 0.417000 1.0079 - 5397 SYS 1799 TIP3 H2 A 0.417000 1.0079 - 5398 SYS 1800 TIP3 O1 C -0.834000 15.9994 - 5399 SYS 1800 TIP3 H1 A 0.417000 1.0079 - 5400 SYS 1800 TIP3 H2 A 0.417000 1.0079 - 5401 SYS 1801 TIP3 O1 C -0.834000 15.9994 - 5402 SYS 1801 TIP3 H1 A 0.417000 1.0079 - 5403 SYS 1801 TIP3 H2 A 0.417000 1.0079 - 5404 SYS 1802 TIP3 O1 C -0.834000 15.9994 - 5405 SYS 1802 TIP3 H1 A 0.417000 1.0079 - 5406 SYS 1802 TIP3 H2 A 0.417000 1.0079 - 5407 SYS 1803 TIP3 O1 C -0.834000 15.9994 - 5408 SYS 1803 TIP3 H1 A 0.417000 1.0079 - 5409 SYS 1803 TIP3 H2 A 0.417000 1.0079 - 5410 SYS 1804 TIP3 O1 C -0.834000 15.9994 - 5411 SYS 1804 TIP3 H1 A 0.417000 1.0079 - 5412 SYS 1804 TIP3 H2 A 0.417000 1.0079 - 5413 SYS 1805 TIP3 O1 C -0.834000 15.9994 - 5414 SYS 1805 TIP3 H1 A 0.417000 1.0079 - 5415 SYS 1805 TIP3 H2 A 0.417000 1.0079 - 5416 SYS 1806 TIP3 O1 C -0.834000 15.9994 - 5417 SYS 1806 TIP3 H1 A 0.417000 1.0079 - 5418 SYS 1806 TIP3 H2 A 0.417000 1.0079 - 5419 SYS 1807 TIP3 O1 C -0.834000 15.9994 - 5420 SYS 1807 TIP3 H1 A 0.417000 1.0079 - 5421 SYS 1807 TIP3 H2 A 0.417000 1.0079 - 5422 SYS 1808 TIP3 O1 C -0.834000 15.9994 - 5423 SYS 1808 TIP3 H1 A 0.417000 1.0079 - 5424 SYS 1808 TIP3 H2 A 0.417000 1.0079 - 5425 SYS 1809 TIP3 O1 C -0.834000 15.9994 - 5426 SYS 1809 TIP3 H1 A 0.417000 1.0079 - 5427 SYS 1809 TIP3 H2 A 0.417000 1.0079 - 5428 SYS 1810 TIP3 O1 C -0.834000 15.9994 - 5429 SYS 1810 TIP3 H1 A 0.417000 1.0079 - 5430 SYS 1810 TIP3 H2 A 0.417000 1.0079 - 5431 SYS 1811 TIP3 O1 C -0.834000 15.9994 - 5432 SYS 1811 TIP3 H1 A 0.417000 1.0079 - 5433 SYS 1811 TIP3 H2 A 0.417000 1.0079 - 5434 SYS 1812 TIP3 O1 C -0.834000 15.9994 - 5435 SYS 1812 TIP3 H1 A 0.417000 1.0079 - 5436 SYS 1812 TIP3 H2 A 0.417000 1.0079 - 5437 SYS 1813 TIP3 O1 C -0.834000 15.9994 - 5438 SYS 1813 TIP3 H1 A 0.417000 1.0079 - 5439 SYS 1813 TIP3 H2 A 0.417000 1.0079 - 5440 SYS 1814 TIP3 O1 C -0.834000 15.9994 - 5441 SYS 1814 TIP3 H1 A 0.417000 1.0079 - 5442 SYS 1814 TIP3 H2 A 0.417000 1.0079 - 5443 SYS 1815 TIP3 O1 C -0.834000 15.9994 - 5444 SYS 1815 TIP3 H1 A 0.417000 1.0079 - 5445 SYS 1815 TIP3 H2 A 0.417000 1.0079 - 5446 SYS 1816 TIP3 O1 C -0.834000 15.9994 - 5447 SYS 1816 TIP3 H1 A 0.417000 1.0079 - 5448 SYS 1816 TIP3 H2 A 0.417000 1.0079 - 5449 SYS 1817 TIP3 O1 C -0.834000 15.9994 - 5450 SYS 1817 TIP3 H1 A 0.417000 1.0079 - 5451 SYS 1817 TIP3 H2 A 0.417000 1.0079 - 5452 SYS 1818 TIP3 O1 C -0.834000 15.9994 - 5453 SYS 1818 TIP3 H1 A 0.417000 1.0079 - 5454 SYS 1818 TIP3 H2 A 0.417000 1.0079 - 5455 SYS 1819 TIP3 O1 C -0.834000 15.9994 - 5456 SYS 1819 TIP3 H1 A 0.417000 1.0079 - 5457 SYS 1819 TIP3 H2 A 0.417000 1.0079 - 5458 SYS 1820 TIP3 O1 C -0.834000 15.9994 - 5459 SYS 1820 TIP3 H1 A 0.417000 1.0079 - 5460 SYS 1820 TIP3 H2 A 0.417000 1.0079 - 5461 SYS 1821 TIP3 O1 C -0.834000 15.9994 - 5462 SYS 1821 TIP3 H1 A 0.417000 1.0079 - 5463 SYS 1821 TIP3 H2 A 0.417000 1.0079 - 5464 SYS 1822 TIP3 O1 C -0.834000 15.9994 - 5465 SYS 1822 TIP3 H1 A 0.417000 1.0079 - 5466 SYS 1822 TIP3 H2 A 0.417000 1.0079 - 5467 SYS 1823 TIP3 O1 C -0.834000 15.9994 - 5468 SYS 1823 TIP3 H1 A 0.417000 1.0079 - 5469 SYS 1823 TIP3 H2 A 0.417000 1.0079 - 5470 SYS 1824 TIP3 O1 C -0.834000 15.9994 - 5471 SYS 1824 TIP3 H1 A 0.417000 1.0079 - 5472 SYS 1824 TIP3 H2 A 0.417000 1.0079 - 5473 SYS 1825 TIP3 O1 C -0.834000 15.9994 - 5474 SYS 1825 TIP3 H1 A 0.417000 1.0079 - 5475 SYS 1825 TIP3 H2 A 0.417000 1.0079 - 5476 SYS 1826 TIP3 O1 C -0.834000 15.9994 - 5477 SYS 1826 TIP3 H1 A 0.417000 1.0079 - 5478 SYS 1826 TIP3 H2 A 0.417000 1.0079 - 5479 SYS 1827 TIP3 O1 C -0.834000 15.9994 - 5480 SYS 1827 TIP3 H1 A 0.417000 1.0079 - 5481 SYS 1827 TIP3 H2 A 0.417000 1.0079 - 5482 SYS 1828 TIP3 O1 C -0.834000 15.9994 - 5483 SYS 1828 TIP3 H1 A 0.417000 1.0079 - 5484 SYS 1828 TIP3 H2 A 0.417000 1.0079 - 5485 SYS 1829 TIP3 O1 C -0.834000 15.9994 - 5486 SYS 1829 TIP3 H1 A 0.417000 1.0079 - 5487 SYS 1829 TIP3 H2 A 0.417000 1.0079 - 5488 SYS 1830 TIP3 O1 C -0.834000 15.9994 - 5489 SYS 1830 TIP3 H1 A 0.417000 1.0079 - 5490 SYS 1830 TIP3 H2 A 0.417000 1.0079 - 5491 SYS 1831 TIP3 O1 C -0.834000 15.9994 - 5492 SYS 1831 TIP3 H1 A 0.417000 1.0079 - 5493 SYS 1831 TIP3 H2 A 0.417000 1.0079 - 5494 SYS 1832 TIP3 O1 C -0.834000 15.9994 - 5495 SYS 1832 TIP3 H1 A 0.417000 1.0079 - 5496 SYS 1832 TIP3 H2 A 0.417000 1.0079 - 5497 SYS 1833 TIP3 O1 C -0.834000 15.9994 - 5498 SYS 1833 TIP3 H1 A 0.417000 1.0079 - 5499 SYS 1833 TIP3 H2 A 0.417000 1.0079 - 5500 SYS 1834 TIP3 O1 C -0.834000 15.9994 - 5501 SYS 1834 TIP3 H1 A 0.417000 1.0079 - 5502 SYS 1834 TIP3 H2 A 0.417000 1.0079 - 5503 SYS 1835 TIP3 O1 C -0.834000 15.9994 - 5504 SYS 1835 TIP3 H1 A 0.417000 1.0079 - 5505 SYS 1835 TIP3 H2 A 0.417000 1.0079 - 5506 SYS 1836 TIP3 O1 C -0.834000 15.9994 - 5507 SYS 1836 TIP3 H1 A 0.417000 1.0079 - 5508 SYS 1836 TIP3 H2 A 0.417000 1.0079 - 5509 SYS 1837 TIP3 O1 C -0.834000 15.9994 - 5510 SYS 1837 TIP3 H1 A 0.417000 1.0079 - 5511 SYS 1837 TIP3 H2 A 0.417000 1.0079 - 5512 SYS 1838 TIP3 O1 C -0.834000 15.9994 - 5513 SYS 1838 TIP3 H1 A 0.417000 1.0079 - 5514 SYS 1838 TIP3 H2 A 0.417000 1.0079 - 5515 SYS 1839 TIP3 O1 C -0.834000 15.9994 - 5516 SYS 1839 TIP3 H1 A 0.417000 1.0079 - 5517 SYS 1839 TIP3 H2 A 0.417000 1.0079 - 5518 SYS 1840 TIP3 O1 C -0.834000 15.9994 - 5519 SYS 1840 TIP3 H1 A 0.417000 1.0079 - 5520 SYS 1840 TIP3 H2 A 0.417000 1.0079 - 5521 SYS 1841 TIP3 O1 C -0.834000 15.9994 - 5522 SYS 1841 TIP3 H1 A 0.417000 1.0079 - 5523 SYS 1841 TIP3 H2 A 0.417000 1.0079 - 5524 SYS 1842 TIP3 O1 C -0.834000 15.9994 - 5525 SYS 1842 TIP3 H1 A 0.417000 1.0079 - 5526 SYS 1842 TIP3 H2 A 0.417000 1.0079 - 5527 SYS 1843 TIP3 O1 C -0.834000 15.9994 - 5528 SYS 1843 TIP3 H1 A 0.417000 1.0079 - 5529 SYS 1843 TIP3 H2 A 0.417000 1.0079 - 5530 SYS 1844 TIP3 O1 C -0.834000 15.9994 - 5531 SYS 1844 TIP3 H1 A 0.417000 1.0079 - 5532 SYS 1844 TIP3 H2 A 0.417000 1.0079 - 5533 SYS 1845 TIP3 O1 C -0.834000 15.9994 - 5534 SYS 1845 TIP3 H1 A 0.417000 1.0079 - 5535 SYS 1845 TIP3 H2 A 0.417000 1.0079 - 5536 SYS 1846 TIP3 O1 C -0.834000 15.9994 - 5537 SYS 1846 TIP3 H1 A 0.417000 1.0079 - 5538 SYS 1846 TIP3 H2 A 0.417000 1.0079 - 5539 SYS 1847 TIP3 O1 C -0.834000 15.9994 - 5540 SYS 1847 TIP3 H1 A 0.417000 1.0079 - 5541 SYS 1847 TIP3 H2 A 0.417000 1.0079 - 5542 SYS 1848 TIP3 O1 C -0.834000 15.9994 - 5543 SYS 1848 TIP3 H1 A 0.417000 1.0079 - 5544 SYS 1848 TIP3 H2 A 0.417000 1.0079 - 5545 SYS 1849 TIP3 O1 C -0.834000 15.9994 - 5546 SYS 1849 TIP3 H1 A 0.417000 1.0079 - 5547 SYS 1849 TIP3 H2 A 0.417000 1.0079 - 5548 SYS 1850 TIP3 O1 C -0.834000 15.9994 - 5549 SYS 1850 TIP3 H1 A 0.417000 1.0079 - 5550 SYS 1850 TIP3 H2 A 0.417000 1.0079 - 5551 SYS 1851 TIP3 O1 C -0.834000 15.9994 - 5552 SYS 1851 TIP3 H1 A 0.417000 1.0079 - 5553 SYS 1851 TIP3 H2 A 0.417000 1.0079 - 5554 SYS 1852 TIP3 O1 C -0.834000 15.9994 - 5555 SYS 1852 TIP3 H1 A 0.417000 1.0079 - 5556 SYS 1852 TIP3 H2 A 0.417000 1.0079 - 5557 SYS 1853 TIP3 O1 C -0.834000 15.9994 - 5558 SYS 1853 TIP3 H1 A 0.417000 1.0079 - 5559 SYS 1853 TIP3 H2 A 0.417000 1.0079 - 5560 SYS 1854 TIP3 O1 C -0.834000 15.9994 - 5561 SYS 1854 TIP3 H1 A 0.417000 1.0079 - 5562 SYS 1854 TIP3 H2 A 0.417000 1.0079 - 5563 SYS 1855 TIP3 O1 C -0.834000 15.9994 - 5564 SYS 1855 TIP3 H1 A 0.417000 1.0079 - 5565 SYS 1855 TIP3 H2 A 0.417000 1.0079 - 5566 SYS 1856 TIP3 O1 C -0.834000 15.9994 - 5567 SYS 1856 TIP3 H1 A 0.417000 1.0079 - 5568 SYS 1856 TIP3 H2 A 0.417000 1.0079 - 5569 SYS 1857 TIP3 O1 C -0.834000 15.9994 - 5570 SYS 1857 TIP3 H1 A 0.417000 1.0079 - 5571 SYS 1857 TIP3 H2 A 0.417000 1.0079 - 5572 SYS 1858 TIP3 O1 C -0.834000 15.9994 - 5573 SYS 1858 TIP3 H1 A 0.417000 1.0079 - 5574 SYS 1858 TIP3 H2 A 0.417000 1.0079 - 5575 SYS 1859 TIP3 O1 C -0.834000 15.9994 - 5576 SYS 1859 TIP3 H1 A 0.417000 1.0079 - 5577 SYS 1859 TIP3 H2 A 0.417000 1.0079 - 5578 SYS 1860 TIP3 O1 C -0.834000 15.9994 - 5579 SYS 1860 TIP3 H1 A 0.417000 1.0079 - 5580 SYS 1860 TIP3 H2 A 0.417000 1.0079 - 5581 SYS 1861 TIP3 O1 C -0.834000 15.9994 - 5582 SYS 1861 TIP3 H1 A 0.417000 1.0079 - 5583 SYS 1861 TIP3 H2 A 0.417000 1.0079 - 5584 SYS 1862 TIP3 O1 C -0.834000 15.9994 - 5585 SYS 1862 TIP3 H1 A 0.417000 1.0079 - 5586 SYS 1862 TIP3 H2 A 0.417000 1.0079 - 5587 SYS 1863 TIP3 O1 C -0.834000 15.9994 - 5588 SYS 1863 TIP3 H1 A 0.417000 1.0079 - 5589 SYS 1863 TIP3 H2 A 0.417000 1.0079 - 5590 SYS 1864 TIP3 O1 C -0.834000 15.9994 - 5591 SYS 1864 TIP3 H1 A 0.417000 1.0079 - 5592 SYS 1864 TIP3 H2 A 0.417000 1.0079 - 5593 SYS 1865 TIP3 O1 C -0.834000 15.9994 - 5594 SYS 1865 TIP3 H1 A 0.417000 1.0079 - 5595 SYS 1865 TIP3 H2 A 0.417000 1.0079 - 5596 SYS 1866 TIP3 O1 C -0.834000 15.9994 - 5597 SYS 1866 TIP3 H1 A 0.417000 1.0079 - 5598 SYS 1866 TIP3 H2 A 0.417000 1.0079 - 5599 SYS 1867 TIP3 O1 C -0.834000 15.9994 - 5600 SYS 1867 TIP3 H1 A 0.417000 1.0079 - 5601 SYS 1867 TIP3 H2 A 0.417000 1.0079 - 5602 SYS 1868 TIP3 O1 C -0.834000 15.9994 - 5603 SYS 1868 TIP3 H1 A 0.417000 1.0079 - 5604 SYS 1868 TIP3 H2 A 0.417000 1.0079 - 5605 SYS 1869 TIP3 O1 C -0.834000 15.9994 - 5606 SYS 1869 TIP3 H1 A 0.417000 1.0079 - 5607 SYS 1869 TIP3 H2 A 0.417000 1.0079 - 5608 SYS 1870 TIP3 O1 C -0.834000 15.9994 - 5609 SYS 1870 TIP3 H1 A 0.417000 1.0079 - 5610 SYS 1870 TIP3 H2 A 0.417000 1.0079 - 5611 SYS 1871 TIP3 O1 C -0.834000 15.9994 - 5612 SYS 1871 TIP3 H1 A 0.417000 1.0079 - 5613 SYS 1871 TIP3 H2 A 0.417000 1.0079 - 5614 SYS 1872 TIP3 O1 C -0.834000 15.9994 - 5615 SYS 1872 TIP3 H1 A 0.417000 1.0079 - 5616 SYS 1872 TIP3 H2 A 0.417000 1.0079 - 5617 SYS 1873 TIP3 O1 C -0.834000 15.9994 - 5618 SYS 1873 TIP3 H1 A 0.417000 1.0079 - 5619 SYS 1873 TIP3 H2 A 0.417000 1.0079 - 5620 SYS 1874 TIP3 O1 C -0.834000 15.9994 - 5621 SYS 1874 TIP3 H1 A 0.417000 1.0079 - 5622 SYS 1874 TIP3 H2 A 0.417000 1.0079 - 5623 SYS 1875 TIP3 O1 C -0.834000 15.9994 - 5624 SYS 1875 TIP3 H1 A 0.417000 1.0079 - 5625 SYS 1875 TIP3 H2 A 0.417000 1.0079 - 5626 SYS 1876 TIP3 O1 C -0.834000 15.9994 - 5627 SYS 1876 TIP3 H1 A 0.417000 1.0079 - 5628 SYS 1876 TIP3 H2 A 0.417000 1.0079 - 5629 SYS 1877 TIP3 O1 C -0.834000 15.9994 - 5630 SYS 1877 TIP3 H1 A 0.417000 1.0079 - 5631 SYS 1877 TIP3 H2 A 0.417000 1.0079 - 5632 SYS 1878 TIP3 O1 C -0.834000 15.9994 - 5633 SYS 1878 TIP3 H1 A 0.417000 1.0079 - 5634 SYS 1878 TIP3 H2 A 0.417000 1.0079 - 5635 SYS 1879 TIP3 O1 C -0.834000 15.9994 - 5636 SYS 1879 TIP3 H1 A 0.417000 1.0079 - 5637 SYS 1879 TIP3 H2 A 0.417000 1.0079 - 5638 SYS 1880 TIP3 O1 C -0.834000 15.9994 - 5639 SYS 1880 TIP3 H1 A 0.417000 1.0079 - 5640 SYS 1880 TIP3 H2 A 0.417000 1.0079 - 5641 SYS 1881 TIP3 O1 C -0.834000 15.9994 - 5642 SYS 1881 TIP3 H1 A 0.417000 1.0079 - 5643 SYS 1881 TIP3 H2 A 0.417000 1.0079 - 5644 SYS 1882 TIP3 O1 C -0.834000 15.9994 - 5645 SYS 1882 TIP3 H1 A 0.417000 1.0079 - 5646 SYS 1882 TIP3 H2 A 0.417000 1.0079 - 5647 SYS 1883 TIP3 O1 C -0.834000 15.9994 - 5648 SYS 1883 TIP3 H1 A 0.417000 1.0079 - 5649 SYS 1883 TIP3 H2 A 0.417000 1.0079 - 5650 SYS 1884 TIP3 O1 C -0.834000 15.9994 - 5651 SYS 1884 TIP3 H1 A 0.417000 1.0079 - 5652 SYS 1884 TIP3 H2 A 0.417000 1.0079 - 5653 SYS 1885 TIP3 O1 C -0.834000 15.9994 - 5654 SYS 1885 TIP3 H1 A 0.417000 1.0079 - 5655 SYS 1885 TIP3 H2 A 0.417000 1.0079 - 5656 SYS 1886 TIP3 O1 C -0.834000 15.9994 - 5657 SYS 1886 TIP3 H1 A 0.417000 1.0079 - 5658 SYS 1886 TIP3 H2 A 0.417000 1.0079 - 5659 SYS 1887 TIP3 O1 C -0.834000 15.9994 - 5660 SYS 1887 TIP3 H1 A 0.417000 1.0079 - 5661 SYS 1887 TIP3 H2 A 0.417000 1.0079 - 5662 SYS 1888 TIP3 O1 C -0.834000 15.9994 - 5663 SYS 1888 TIP3 H1 A 0.417000 1.0079 - 5664 SYS 1888 TIP3 H2 A 0.417000 1.0079 - 5665 SYS 1889 TIP3 O1 C -0.834000 15.9994 - 5666 SYS 1889 TIP3 H1 A 0.417000 1.0079 - 5667 SYS 1889 TIP3 H2 A 0.417000 1.0079 - 5668 SYS 1890 TIP3 O1 C -0.834000 15.9994 - 5669 SYS 1890 TIP3 H1 A 0.417000 1.0079 - 5670 SYS 1890 TIP3 H2 A 0.417000 1.0079 - 5671 SYS 1891 TIP3 O1 C -0.834000 15.9994 - 5672 SYS 1891 TIP3 H1 A 0.417000 1.0079 - 5673 SYS 1891 TIP3 H2 A 0.417000 1.0079 - 5674 SYS 1892 TIP3 O1 C -0.834000 15.9994 - 5675 SYS 1892 TIP3 H1 A 0.417000 1.0079 - 5676 SYS 1892 TIP3 H2 A 0.417000 1.0079 - 5677 SYS 1893 TIP3 O1 C -0.834000 15.9994 - 5678 SYS 1893 TIP3 H1 A 0.417000 1.0079 - 5679 SYS 1893 TIP3 H2 A 0.417000 1.0079 - 5680 SYS 1894 TIP3 O1 C -0.834000 15.9994 - 5681 SYS 1894 TIP3 H1 A 0.417000 1.0079 - 5682 SYS 1894 TIP3 H2 A 0.417000 1.0079 - 5683 SYS 1895 TIP3 O1 C -0.834000 15.9994 - 5684 SYS 1895 TIP3 H1 A 0.417000 1.0079 - 5685 SYS 1895 TIP3 H2 A 0.417000 1.0079 - 5686 SYS 1896 TIP3 O1 C -0.834000 15.9994 - 5687 SYS 1896 TIP3 H1 A 0.417000 1.0079 - 5688 SYS 1896 TIP3 H2 A 0.417000 1.0079 - 5689 SYS 1897 TIP3 O1 C -0.834000 15.9994 - 5690 SYS 1897 TIP3 H1 A 0.417000 1.0079 - 5691 SYS 1897 TIP3 H2 A 0.417000 1.0079 - 5692 SYS 1898 TIP3 O1 C -0.834000 15.9994 - 5693 SYS 1898 TIP3 H1 A 0.417000 1.0079 - 5694 SYS 1898 TIP3 H2 A 0.417000 1.0079 - 5695 SYS 1899 TIP3 O1 C -0.834000 15.9994 - 5696 SYS 1899 TIP3 H1 A 0.417000 1.0079 - 5697 SYS 1899 TIP3 H2 A 0.417000 1.0079 - 5698 SYS 1900 TIP3 O1 C -0.834000 15.9994 - 5699 SYS 1900 TIP3 H1 A 0.417000 1.0079 - 5700 SYS 1900 TIP3 H2 A 0.417000 1.0079 - 5701 SYS 1901 TIP3 O1 C -0.834000 15.9994 - 5702 SYS 1901 TIP3 H1 A 0.417000 1.0079 - 5703 SYS 1901 TIP3 H2 A 0.417000 1.0079 - 5704 SYS 1902 TIP3 O1 C -0.834000 15.9994 - 5705 SYS 1902 TIP3 H1 A 0.417000 1.0079 - 5706 SYS 1902 TIP3 H2 A 0.417000 1.0079 - 5707 SYS 1903 TIP3 O1 C -0.834000 15.9994 - 5708 SYS 1903 TIP3 H1 A 0.417000 1.0079 - 5709 SYS 1903 TIP3 H2 A 0.417000 1.0079 - 5710 SYS 1904 TIP3 O1 C -0.834000 15.9994 - 5711 SYS 1904 TIP3 H1 A 0.417000 1.0079 - 5712 SYS 1904 TIP3 H2 A 0.417000 1.0079 - 5713 SYS 1905 TIP3 O1 C -0.834000 15.9994 - 5714 SYS 1905 TIP3 H1 A 0.417000 1.0079 - 5715 SYS 1905 TIP3 H2 A 0.417000 1.0079 - 5716 SYS 1906 TIP3 O1 C -0.834000 15.9994 - 5717 SYS 1906 TIP3 H1 A 0.417000 1.0079 - 5718 SYS 1906 TIP3 H2 A 0.417000 1.0079 - 5719 SYS 1907 TIP3 O1 C -0.834000 15.9994 - 5720 SYS 1907 TIP3 H1 A 0.417000 1.0079 - 5721 SYS 1907 TIP3 H2 A 0.417000 1.0079 - 5722 SYS 1908 TIP3 O1 C -0.834000 15.9994 - 5723 SYS 1908 TIP3 H1 A 0.417000 1.0079 - 5724 SYS 1908 TIP3 H2 A 0.417000 1.0079 - 5725 SYS 1909 TIP3 O1 C -0.834000 15.9994 - 5726 SYS 1909 TIP3 H1 A 0.417000 1.0079 - 5727 SYS 1909 TIP3 H2 A 0.417000 1.0079 - 5728 SYS 1910 TIP3 O1 C -0.834000 15.9994 - 5729 SYS 1910 TIP3 H1 A 0.417000 1.0079 - 5730 SYS 1910 TIP3 H2 A 0.417000 1.0079 - 5731 SYS 1911 TIP3 O1 C -0.834000 15.9994 - 5732 SYS 1911 TIP3 H1 A 0.417000 1.0079 - 5733 SYS 1911 TIP3 H2 A 0.417000 1.0079 - 5734 SYS 1912 TIP3 O1 C -0.834000 15.9994 - 5735 SYS 1912 TIP3 H1 A 0.417000 1.0079 - 5736 SYS 1912 TIP3 H2 A 0.417000 1.0079 - 5737 SYS 1913 TIP3 O1 C -0.834000 15.9994 - 5738 SYS 1913 TIP3 H1 A 0.417000 1.0079 - 5739 SYS 1913 TIP3 H2 A 0.417000 1.0079 - 5740 SYS 1914 TIP3 O1 C -0.834000 15.9994 - 5741 SYS 1914 TIP3 H1 A 0.417000 1.0079 - 5742 SYS 1914 TIP3 H2 A 0.417000 1.0079 - 5743 SYS 1915 TIP3 O1 C -0.834000 15.9994 - 5744 SYS 1915 TIP3 H1 A 0.417000 1.0079 - 5745 SYS 1915 TIP3 H2 A 0.417000 1.0079 - 5746 SYS 1916 TIP3 O1 C -0.834000 15.9994 - 5747 SYS 1916 TIP3 H1 A 0.417000 1.0079 - 5748 SYS 1916 TIP3 H2 A 0.417000 1.0079 - 5749 SYS 1917 TIP3 O1 C -0.834000 15.9994 - 5750 SYS 1917 TIP3 H1 A 0.417000 1.0079 - 5751 SYS 1917 TIP3 H2 A 0.417000 1.0079 - 5752 SYS 1918 TIP3 O1 C -0.834000 15.9994 - 5753 SYS 1918 TIP3 H1 A 0.417000 1.0079 - 5754 SYS 1918 TIP3 H2 A 0.417000 1.0079 - 5755 SYS 1919 TIP3 O1 C -0.834000 15.9994 - 5756 SYS 1919 TIP3 H1 A 0.417000 1.0079 - 5757 SYS 1919 TIP3 H2 A 0.417000 1.0079 - 5758 SYS 1920 TIP3 O1 C -0.834000 15.9994 - 5759 SYS 1920 TIP3 H1 A 0.417000 1.0079 - 5760 SYS 1920 TIP3 H2 A 0.417000 1.0079 - 5761 SYS 1921 TIP3 O1 C -0.834000 15.9994 - 5762 SYS 1921 TIP3 H1 A 0.417000 1.0079 - 5763 SYS 1921 TIP3 H2 A 0.417000 1.0079 - 5764 SYS 1922 TIP3 O1 C -0.834000 15.9994 - 5765 SYS 1922 TIP3 H1 A 0.417000 1.0079 - 5766 SYS 1922 TIP3 H2 A 0.417000 1.0079 - 5767 SYS 1923 TIP3 O1 C -0.834000 15.9994 - 5768 SYS 1923 TIP3 H1 A 0.417000 1.0079 - 5769 SYS 1923 TIP3 H2 A 0.417000 1.0079 - 5770 SYS 1924 TIP3 O1 C -0.834000 15.9994 - 5771 SYS 1924 TIP3 H1 A 0.417000 1.0079 - 5772 SYS 1924 TIP3 H2 A 0.417000 1.0079 - 5773 SYS 1925 TIP3 O1 C -0.834000 15.9994 - 5774 SYS 1925 TIP3 H1 A 0.417000 1.0079 - 5775 SYS 1925 TIP3 H2 A 0.417000 1.0079 - 5776 SYS 1926 TIP3 O1 C -0.834000 15.9994 - 5777 SYS 1926 TIP3 H1 A 0.417000 1.0079 - 5778 SYS 1926 TIP3 H2 A 0.417000 1.0079 - 5779 SYS 1927 TIP3 O1 C -0.834000 15.9994 - 5780 SYS 1927 TIP3 H1 A 0.417000 1.0079 - 5781 SYS 1927 TIP3 H2 A 0.417000 1.0079 - 5782 SYS 1928 TIP3 O1 C -0.834000 15.9994 - 5783 SYS 1928 TIP3 H1 A 0.417000 1.0079 - 5784 SYS 1928 TIP3 H2 A 0.417000 1.0079 - 5785 SYS 1929 TIP3 O1 C -0.834000 15.9994 - 5786 SYS 1929 TIP3 H1 A 0.417000 1.0079 - 5787 SYS 1929 TIP3 H2 A 0.417000 1.0079 - 5788 SYS 1930 TIP3 O1 C -0.834000 15.9994 - 5789 SYS 1930 TIP3 H1 A 0.417000 1.0079 - 5790 SYS 1930 TIP3 H2 A 0.417000 1.0079 - 5791 SYS 1931 TIP3 O1 C -0.834000 15.9994 - 5792 SYS 1931 TIP3 H1 A 0.417000 1.0079 - 5793 SYS 1931 TIP3 H2 A 0.417000 1.0079 - 5794 SYS 1932 TIP3 O1 C -0.834000 15.9994 - 5795 SYS 1932 TIP3 H1 A 0.417000 1.0079 - 5796 SYS 1932 TIP3 H2 A 0.417000 1.0079 - 5797 SYS 1933 TIP3 O1 C -0.834000 15.9994 - 5798 SYS 1933 TIP3 H1 A 0.417000 1.0079 - 5799 SYS 1933 TIP3 H2 A 0.417000 1.0079 - 5800 SYS 1934 TIP3 O1 C -0.834000 15.9994 - 5801 SYS 1934 TIP3 H1 A 0.417000 1.0079 - 5802 SYS 1934 TIP3 H2 A 0.417000 1.0079 - 5803 SYS 1935 TIP3 O1 C -0.834000 15.9994 - 5804 SYS 1935 TIP3 H1 A 0.417000 1.0079 - 5805 SYS 1935 TIP3 H2 A 0.417000 1.0079 - 5806 SYS 1936 TIP3 O1 C -0.834000 15.9994 - 5807 SYS 1936 TIP3 H1 A 0.417000 1.0079 - 5808 SYS 1936 TIP3 H2 A 0.417000 1.0079 - 5809 SYS 1937 TIP3 O1 C -0.834000 15.9994 - 5810 SYS 1937 TIP3 H1 A 0.417000 1.0079 - 5811 SYS 1937 TIP3 H2 A 0.417000 1.0079 - 5812 SYS 1938 TIP3 O1 C -0.834000 15.9994 - 5813 SYS 1938 TIP3 H1 A 0.417000 1.0079 - 5814 SYS 1938 TIP3 H2 A 0.417000 1.0079 - 5815 SYS 1939 TIP3 O1 C -0.834000 15.9994 - 5816 SYS 1939 TIP3 H1 A 0.417000 1.0079 - 5817 SYS 1939 TIP3 H2 A 0.417000 1.0079 - 5818 SYS 1940 TIP3 O1 C -0.834000 15.9994 - 5819 SYS 1940 TIP3 H1 A 0.417000 1.0079 - 5820 SYS 1940 TIP3 H2 A 0.417000 1.0079 - 5821 SYS 1941 TIP3 O1 C -0.834000 15.9994 - 5822 SYS 1941 TIP3 H1 A 0.417000 1.0079 - 5823 SYS 1941 TIP3 H2 A 0.417000 1.0079 - 5824 SYS 1942 TIP3 O1 C -0.834000 15.9994 - 5825 SYS 1942 TIP3 H1 A 0.417000 1.0079 - 5826 SYS 1942 TIP3 H2 A 0.417000 1.0079 - 5827 SYS 1943 TIP3 O1 C -0.834000 15.9994 - 5828 SYS 1943 TIP3 H1 A 0.417000 1.0079 - 5829 SYS 1943 TIP3 H2 A 0.417000 1.0079 - 5830 SYS 1944 TIP3 O1 C -0.834000 15.9994 - 5831 SYS 1944 TIP3 H1 A 0.417000 1.0079 - 5832 SYS 1944 TIP3 H2 A 0.417000 1.0079 - 5833 SYS 1945 TIP3 O1 C -0.834000 15.9994 - 5834 SYS 1945 TIP3 H1 A 0.417000 1.0079 - 5835 SYS 1945 TIP3 H2 A 0.417000 1.0079 - 5836 SYS 1946 TIP3 O1 C -0.834000 15.9994 - 5837 SYS 1946 TIP3 H1 A 0.417000 1.0079 - 5838 SYS 1946 TIP3 H2 A 0.417000 1.0079 - 5839 SYS 1947 TIP3 O1 C -0.834000 15.9994 - 5840 SYS 1947 TIP3 H1 A 0.417000 1.0079 - 5841 SYS 1947 TIP3 H2 A 0.417000 1.0079 - 5842 SYS 1948 TIP3 O1 C -0.834000 15.9994 - 5843 SYS 1948 TIP3 H1 A 0.417000 1.0079 - 5844 SYS 1948 TIP3 H2 A 0.417000 1.0079 - 5845 SYS 1949 TIP3 O1 C -0.834000 15.9994 - 5846 SYS 1949 TIP3 H1 A 0.417000 1.0079 - 5847 SYS 1949 TIP3 H2 A 0.417000 1.0079 - 5848 SYS 1950 TIP3 O1 C -0.834000 15.9994 - 5849 SYS 1950 TIP3 H1 A 0.417000 1.0079 - 5850 SYS 1950 TIP3 H2 A 0.417000 1.0079 - 5851 SYS 1951 TIP3 O1 C -0.834000 15.9994 - 5852 SYS 1951 TIP3 H1 A 0.417000 1.0079 - 5853 SYS 1951 TIP3 H2 A 0.417000 1.0079 - 5854 SYS 1952 TIP3 O1 C -0.834000 15.9994 - 5855 SYS 1952 TIP3 H1 A 0.417000 1.0079 - 5856 SYS 1952 TIP3 H2 A 0.417000 1.0079 - 5857 SYS 1953 TIP3 O1 C -0.834000 15.9994 - 5858 SYS 1953 TIP3 H1 A 0.417000 1.0079 - 5859 SYS 1953 TIP3 H2 A 0.417000 1.0079 - 5860 SYS 1954 TIP3 O1 C -0.834000 15.9994 - 5861 SYS 1954 TIP3 H1 A 0.417000 1.0079 - 5862 SYS 1954 TIP3 H2 A 0.417000 1.0079 - 5863 SYS 1955 TIP3 O1 C -0.834000 15.9994 - 5864 SYS 1955 TIP3 H1 A 0.417000 1.0079 - 5865 SYS 1955 TIP3 H2 A 0.417000 1.0079 - 5866 SYS 1956 TIP3 O1 C -0.834000 15.9994 - 5867 SYS 1956 TIP3 H1 A 0.417000 1.0079 - 5868 SYS 1956 TIP3 H2 A 0.417000 1.0079 - 5869 SYS 1957 TIP3 O1 C -0.834000 15.9994 - 5870 SYS 1957 TIP3 H1 A 0.417000 1.0079 - 5871 SYS 1957 TIP3 H2 A 0.417000 1.0079 - 5872 SYS 1958 TIP3 O1 C -0.834000 15.9994 - 5873 SYS 1958 TIP3 H1 A 0.417000 1.0079 - 5874 SYS 1958 TIP3 H2 A 0.417000 1.0079 - 5875 SYS 1959 TIP3 O1 C -0.834000 15.9994 - 5876 SYS 1959 TIP3 H1 A 0.417000 1.0079 - 5877 SYS 1959 TIP3 H2 A 0.417000 1.0079 - 5878 SYS 1960 TIP3 O1 C -0.834000 15.9994 - 5879 SYS 1960 TIP3 H1 A 0.417000 1.0079 - 5880 SYS 1960 TIP3 H2 A 0.417000 1.0079 - 5881 SYS 1961 TIP3 O1 C -0.834000 15.9994 - 5882 SYS 1961 TIP3 H1 A 0.417000 1.0079 - 5883 SYS 1961 TIP3 H2 A 0.417000 1.0079 - 5884 SYS 1962 TIP3 O1 C -0.834000 15.9994 - 5885 SYS 1962 TIP3 H1 A 0.417000 1.0079 - 5886 SYS 1962 TIP3 H2 A 0.417000 1.0079 - 5887 SYS 1963 TIP3 O1 C -0.834000 15.9994 - 5888 SYS 1963 TIP3 H1 A 0.417000 1.0079 - 5889 SYS 1963 TIP3 H2 A 0.417000 1.0079 - 5890 SYS 1964 TIP3 O1 C -0.834000 15.9994 - 5891 SYS 1964 TIP3 H1 A 0.417000 1.0079 - 5892 SYS 1964 TIP3 H2 A 0.417000 1.0079 - 5893 SYS 1965 TIP3 O1 C -0.834000 15.9994 - 5894 SYS 1965 TIP3 H1 A 0.417000 1.0079 - 5895 SYS 1965 TIP3 H2 A 0.417000 1.0079 - 5896 SYS 1966 TIP3 O1 C -0.834000 15.9994 - 5897 SYS 1966 TIP3 H1 A 0.417000 1.0079 - 5898 SYS 1966 TIP3 H2 A 0.417000 1.0079 - 5899 SYS 1967 TIP3 O1 C -0.834000 15.9994 - 5900 SYS 1967 TIP3 H1 A 0.417000 1.0079 - 5901 SYS 1967 TIP3 H2 A 0.417000 1.0079 - 5902 SYS 1968 TIP3 O1 C -0.834000 15.9994 - 5903 SYS 1968 TIP3 H1 A 0.417000 1.0079 - 5904 SYS 1968 TIP3 H2 A 0.417000 1.0079 - 5905 SYS 1969 TIP3 O1 C -0.834000 15.9994 - 5906 SYS 1969 TIP3 H1 A 0.417000 1.0079 - 5907 SYS 1969 TIP3 H2 A 0.417000 1.0079 - 5908 SYS 1970 TIP3 O1 C -0.834000 15.9994 - 5909 SYS 1970 TIP3 H1 A 0.417000 1.0079 - 5910 SYS 1970 TIP3 H2 A 0.417000 1.0079 - 5911 SYS 1971 TIP3 O1 C -0.834000 15.9994 - 5912 SYS 1971 TIP3 H1 A 0.417000 1.0079 - 5913 SYS 1971 TIP3 H2 A 0.417000 1.0079 - 5914 SYS 1972 TIP3 O1 C -0.834000 15.9994 - 5915 SYS 1972 TIP3 H1 A 0.417000 1.0079 - 5916 SYS 1972 TIP3 H2 A 0.417000 1.0079 - 5917 SYS 1973 TIP3 O1 C -0.834000 15.9994 - 5918 SYS 1973 TIP3 H1 A 0.417000 1.0079 - 5919 SYS 1973 TIP3 H2 A 0.417000 1.0079 - 5920 SYS 1974 TIP3 O1 C -0.834000 15.9994 - 5921 SYS 1974 TIP3 H1 A 0.417000 1.0079 - 5922 SYS 1974 TIP3 H2 A 0.417000 1.0079 - 5923 SYS 1975 TIP3 O1 C -0.834000 15.9994 - 5924 SYS 1975 TIP3 H1 A 0.417000 1.0079 - 5925 SYS 1975 TIP3 H2 A 0.417000 1.0079 - 5926 SYS 1976 TIP3 O1 C -0.834000 15.9994 - 5927 SYS 1976 TIP3 H1 A 0.417000 1.0079 - 5928 SYS 1976 TIP3 H2 A 0.417000 1.0079 - 5929 SYS 1977 TIP3 O1 C -0.834000 15.9994 - 5930 SYS 1977 TIP3 H1 A 0.417000 1.0079 - 5931 SYS 1977 TIP3 H2 A 0.417000 1.0079 - 5932 SYS 1978 TIP3 O1 C -0.834000 15.9994 - 5933 SYS 1978 TIP3 H1 A 0.417000 1.0079 - 5934 SYS 1978 TIP3 H2 A 0.417000 1.0079 - 5935 SYS 1979 TIP3 O1 C -0.834000 15.9994 - 5936 SYS 1979 TIP3 H1 A 0.417000 1.0079 - 5937 SYS 1979 TIP3 H2 A 0.417000 1.0079 - 5938 SYS 1980 TIP3 O1 C -0.834000 15.9994 - 5939 SYS 1980 TIP3 H1 A 0.417000 1.0079 - 5940 SYS 1980 TIP3 H2 A 0.417000 1.0079 - 5941 SYS 1981 TIP3 O1 C -0.834000 15.9994 - 5942 SYS 1981 TIP3 H1 A 0.417000 1.0079 - 5943 SYS 1981 TIP3 H2 A 0.417000 1.0079 - 5944 SYS 1982 TIP3 O1 C -0.834000 15.9994 - 5945 SYS 1982 TIP3 H1 A 0.417000 1.0079 - 5946 SYS 1982 TIP3 H2 A 0.417000 1.0079 - 5947 SYS 1983 TIP3 O1 C -0.834000 15.9994 - 5948 SYS 1983 TIP3 H1 A 0.417000 1.0079 - 5949 SYS 1983 TIP3 H2 A 0.417000 1.0079 - 5950 SYS 1984 TIP3 O1 C -0.834000 15.9994 - 5951 SYS 1984 TIP3 H1 A 0.417000 1.0079 - 5952 SYS 1984 TIP3 H2 A 0.417000 1.0079 - 5953 SYS 1985 TIP3 O1 C -0.834000 15.9994 - 5954 SYS 1985 TIP3 H1 A 0.417000 1.0079 - 5955 SYS 1985 TIP3 H2 A 0.417000 1.0079 - 5956 SYS 1986 TIP3 O1 C -0.834000 15.9994 - 5957 SYS 1986 TIP3 H1 A 0.417000 1.0079 - 5958 SYS 1986 TIP3 H2 A 0.417000 1.0079 - 5959 SYS 1987 TIP3 O1 C -0.834000 15.9994 - 5960 SYS 1987 TIP3 H1 A 0.417000 1.0079 - 5961 SYS 1987 TIP3 H2 A 0.417000 1.0079 - 5962 SYS 1988 TIP3 O1 C -0.834000 15.9994 - 5963 SYS 1988 TIP3 H1 A 0.417000 1.0079 - 5964 SYS 1988 TIP3 H2 A 0.417000 1.0079 - 5965 SYS 1989 TIP3 O1 C -0.834000 15.9994 - 5966 SYS 1989 TIP3 H1 A 0.417000 1.0079 - 5967 SYS 1989 TIP3 H2 A 0.417000 1.0079 - 5968 SYS 1990 TIP3 O1 C -0.834000 15.9994 - 5969 SYS 1990 TIP3 H1 A 0.417000 1.0079 - 5970 SYS 1990 TIP3 H2 A 0.417000 1.0079 - 5971 SYS 1991 TIP3 O1 C -0.834000 15.9994 - 5972 SYS 1991 TIP3 H1 A 0.417000 1.0079 - 5973 SYS 1991 TIP3 H2 A 0.417000 1.0079 - 5974 SYS 1992 TIP3 O1 C -0.834000 15.9994 - 5975 SYS 1992 TIP3 H1 A 0.417000 1.0079 - 5976 SYS 1992 TIP3 H2 A 0.417000 1.0079 - 5977 SYS 1993 TIP3 O1 C -0.834000 15.9994 - 5978 SYS 1993 TIP3 H1 A 0.417000 1.0079 - 5979 SYS 1993 TIP3 H2 A 0.417000 1.0079 - 5980 SYS 1994 TIP3 O1 C -0.834000 15.9994 - 5981 SYS 1994 TIP3 H1 A 0.417000 1.0079 - 5982 SYS 1994 TIP3 H2 A 0.417000 1.0079 - 5983 SYS 1995 TIP3 O1 C -0.834000 15.9994 - 5984 SYS 1995 TIP3 H1 A 0.417000 1.0079 - 5985 SYS 1995 TIP3 H2 A 0.417000 1.0079 - 5986 SYS 1996 TIP3 O1 C -0.834000 15.9994 - 5987 SYS 1996 TIP3 H1 A 0.417000 1.0079 - 5988 SYS 1996 TIP3 H2 A 0.417000 1.0079 - 5989 SYS 1997 TIP3 O1 C -0.834000 15.9994 - 5990 SYS 1997 TIP3 H1 A 0.417000 1.0079 - 5991 SYS 1997 TIP3 H2 A 0.417000 1.0079 - 5992 SYS 1998 TIP3 O1 C -0.834000 15.9994 - 5993 SYS 1998 TIP3 H1 A 0.417000 1.0079 - 5994 SYS 1998 TIP3 H2 A 0.417000 1.0079 - 5995 SYS 1999 TIP3 O1 C -0.834000 15.9994 - 5996 SYS 1999 TIP3 H1 A 0.417000 1.0079 - 5997 SYS 1999 TIP3 H2 A 0.417000 1.0079 - 5998 SYS 2000 TIP3 O1 C -0.834000 15.9994 - 5999 SYS 2000 TIP3 H1 A 0.417000 1.0079 - 6000 SYS 2000 TIP3 H2 A 0.417000 1.0079 - 6001 SYS 2001 TIP3 O1 C -0.834000 15.9994 - 6002 SYS 2001 TIP3 H1 A 0.417000 1.0079 - 6003 SYS 2001 TIP3 H2 A 0.417000 1.0079 - 6004 SYS 2002 TIP3 O1 C -0.834000 15.9994 - 6005 SYS 2002 TIP3 H1 A 0.417000 1.0079 - 6006 SYS 2002 TIP3 H2 A 0.417000 1.0079 - 6007 SYS 2003 TIP3 O1 C -0.834000 15.9994 - 6008 SYS 2003 TIP3 H1 A 0.417000 1.0079 - 6009 SYS 2003 TIP3 H2 A 0.417000 1.0079 - 6010 SYS 2004 TIP3 O1 C -0.834000 15.9994 - 6011 SYS 2004 TIP3 H1 A 0.417000 1.0079 - 6012 SYS 2004 TIP3 H2 A 0.417000 1.0079 - 6013 SYS 2005 TIP3 O1 C -0.834000 15.9994 - 6014 SYS 2005 TIP3 H1 A 0.417000 1.0079 - 6015 SYS 2005 TIP3 H2 A 0.417000 1.0079 - 6016 SYS 2006 TIP3 O1 C -0.834000 15.9994 - 6017 SYS 2006 TIP3 H1 A 0.417000 1.0079 - 6018 SYS 2006 TIP3 H2 A 0.417000 1.0079 - 6019 SYS 2007 TIP3 O1 C -0.834000 15.9994 - 6020 SYS 2007 TIP3 H1 A 0.417000 1.0079 - 6021 SYS 2007 TIP3 H2 A 0.417000 1.0079 - 6022 SYS 2008 TIP3 O1 C -0.834000 15.9994 - 6023 SYS 2008 TIP3 H1 A 0.417000 1.0079 - 6024 SYS 2008 TIP3 H2 A 0.417000 1.0079 - 6025 SYS 2009 TIP3 O1 C -0.834000 15.9994 - 6026 SYS 2009 TIP3 H1 A 0.417000 1.0079 - 6027 SYS 2009 TIP3 H2 A 0.417000 1.0079 - 6028 SYS 2010 TIP3 O1 C -0.834000 15.9994 - 6029 SYS 2010 TIP3 H1 A 0.417000 1.0079 - 6030 SYS 2010 TIP3 H2 A 0.417000 1.0079 - 6031 SYS 2011 TIP3 O1 C -0.834000 15.9994 - 6032 SYS 2011 TIP3 H1 A 0.417000 1.0079 - 6033 SYS 2011 TIP3 H2 A 0.417000 1.0079 - 6034 SYS 2012 TIP3 O1 C -0.834000 15.9994 - 6035 SYS 2012 TIP3 H1 A 0.417000 1.0079 - 6036 SYS 2012 TIP3 H2 A 0.417000 1.0079 - 6037 SYS 2013 TIP3 O1 C -0.834000 15.9994 - 6038 SYS 2013 TIP3 H1 A 0.417000 1.0079 - 6039 SYS 2013 TIP3 H2 A 0.417000 1.0079 - 6040 SYS 2014 TIP3 O1 C -0.834000 15.9994 - 6041 SYS 2014 TIP3 H1 A 0.417000 1.0079 - 6042 SYS 2014 TIP3 H2 A 0.417000 1.0079 - 6043 SYS 2015 TIP3 O1 C -0.834000 15.9994 - 6044 SYS 2015 TIP3 H1 A 0.417000 1.0079 - 6045 SYS 2015 TIP3 H2 A 0.417000 1.0079 - 6046 SYS 2016 TIP3 O1 C -0.834000 15.9994 - 6047 SYS 2016 TIP3 H1 A 0.417000 1.0079 - 6048 SYS 2016 TIP3 H2 A 0.417000 1.0079 - 6049 SYS 2017 TIP3 O1 C -0.834000 15.9994 - 6050 SYS 2017 TIP3 H1 A 0.417000 1.0079 - 6051 SYS 2017 TIP3 H2 A 0.417000 1.0079 - 6052 SYS 2018 TIP3 O1 C -0.834000 15.9994 - 6053 SYS 2018 TIP3 H1 A 0.417000 1.0079 - 6054 SYS 2018 TIP3 H2 A 0.417000 1.0079 - 6055 SYS 2019 TIP3 O1 C -0.834000 15.9994 - 6056 SYS 2019 TIP3 H1 A 0.417000 1.0079 - 6057 SYS 2019 TIP3 H2 A 0.417000 1.0079 - 6058 SYS 2020 TIP3 O1 C -0.834000 15.9994 - 6059 SYS 2020 TIP3 H1 A 0.417000 1.0079 - 6060 SYS 2020 TIP3 H2 A 0.417000 1.0079 - 6061 SYS 2021 TIP3 O1 C -0.834000 15.9994 - 6062 SYS 2021 TIP3 H1 A 0.417000 1.0079 - 6063 SYS 2021 TIP3 H2 A 0.417000 1.0079 - 6064 SYS 2022 TIP3 O1 C -0.834000 15.9994 - 6065 SYS 2022 TIP3 H1 A 0.417000 1.0079 - 6066 SYS 2022 TIP3 H2 A 0.417000 1.0079 - 6067 SYS 2023 TIP3 O1 C -0.834000 15.9994 - 6068 SYS 2023 TIP3 H1 A 0.417000 1.0079 - 6069 SYS 2023 TIP3 H2 A 0.417000 1.0079 - 6070 SYS 2024 TIP3 O1 C -0.834000 15.9994 - 6071 SYS 2024 TIP3 H1 A 0.417000 1.0079 - 6072 SYS 2024 TIP3 H2 A 0.417000 1.0079 - 6073 SYS 2025 TIP3 O1 C -0.834000 15.9994 - 6074 SYS 2025 TIP3 H1 A 0.417000 1.0079 - 6075 SYS 2025 TIP3 H2 A 0.417000 1.0079 - 6076 SYS 2026 TIP3 O1 C -0.834000 15.9994 - 6077 SYS 2026 TIP3 H1 A 0.417000 1.0079 - 6078 SYS 2026 TIP3 H2 A 0.417000 1.0079 - 6079 SYS 2027 TIP3 O1 C -0.834000 15.9994 - 6080 SYS 2027 TIP3 H1 A 0.417000 1.0079 - 6081 SYS 2027 TIP3 H2 A 0.417000 1.0079 - 6082 SYS 2028 TIP3 O1 C -0.834000 15.9994 - 6083 SYS 2028 TIP3 H1 A 0.417000 1.0079 - 6084 SYS 2028 TIP3 H2 A 0.417000 1.0079 - 6085 SYS 2029 TIP3 O1 C -0.834000 15.9994 - 6086 SYS 2029 TIP3 H1 A 0.417000 1.0079 - 6087 SYS 2029 TIP3 H2 A 0.417000 1.0079 - 6088 SYS 2030 TIP3 O1 C -0.834000 15.9994 - 6089 SYS 2030 TIP3 H1 A 0.417000 1.0079 - 6090 SYS 2030 TIP3 H2 A 0.417000 1.0079 - 6091 SYS 2031 TIP3 O1 C -0.834000 15.9994 - 6092 SYS 2031 TIP3 H1 A 0.417000 1.0079 - 6093 SYS 2031 TIP3 H2 A 0.417000 1.0079 - 6094 SYS 2032 TIP3 O1 C -0.834000 15.9994 - 6095 SYS 2032 TIP3 H1 A 0.417000 1.0079 - 6096 SYS 2032 TIP3 H2 A 0.417000 1.0079 - 6097 SYS 2033 TIP3 O1 C -0.834000 15.9994 - 6098 SYS 2033 TIP3 H1 A 0.417000 1.0079 - 6099 SYS 2033 TIP3 H2 A 0.417000 1.0079 - 6100 SYS 2034 TIP3 O1 C -0.834000 15.9994 - 6101 SYS 2034 TIP3 H1 A 0.417000 1.0079 - 6102 SYS 2034 TIP3 H2 A 0.417000 1.0079 - 6103 SYS 2035 TIP3 O1 C -0.834000 15.9994 - 6104 SYS 2035 TIP3 H1 A 0.417000 1.0079 - 6105 SYS 2035 TIP3 H2 A 0.417000 1.0079 - 6106 SYS 2036 TIP3 O1 C -0.834000 15.9994 - 6107 SYS 2036 TIP3 H1 A 0.417000 1.0079 - 6108 SYS 2036 TIP3 H2 A 0.417000 1.0079 - 6109 SYS 2037 TIP3 O1 C -0.834000 15.9994 - 6110 SYS 2037 TIP3 H1 A 0.417000 1.0079 - 6111 SYS 2037 TIP3 H2 A 0.417000 1.0079 - 6112 SYS 2038 TIP3 O1 C -0.834000 15.9994 - 6113 SYS 2038 TIP3 H1 A 0.417000 1.0079 - 6114 SYS 2038 TIP3 H2 A 0.417000 1.0079 - 6115 SYS 2039 TIP3 O1 C -0.834000 15.9994 - 6116 SYS 2039 TIP3 H1 A 0.417000 1.0079 - 6117 SYS 2039 TIP3 H2 A 0.417000 1.0079 - 6118 SYS 2040 TIP3 O1 C -0.834000 15.9994 - 6119 SYS 2040 TIP3 H1 A 0.417000 1.0079 - 6120 SYS 2040 TIP3 H2 A 0.417000 1.0079 - 6121 SYS 2041 TIP3 O1 C -0.834000 15.9994 - 6122 SYS 2041 TIP3 H1 A 0.417000 1.0079 - 6123 SYS 2041 TIP3 H2 A 0.417000 1.0079 - 6124 SYS 2042 TIP3 O1 C -0.834000 15.9994 - 6125 SYS 2042 TIP3 H1 A 0.417000 1.0079 - 6126 SYS 2042 TIP3 H2 A 0.417000 1.0079 - 6127 SYS 2043 TIP3 O1 C -0.834000 15.9994 - 6128 SYS 2043 TIP3 H1 A 0.417000 1.0079 - 6129 SYS 2043 TIP3 H2 A 0.417000 1.0079 - 6130 SYS 2044 TIP3 O1 C -0.834000 15.9994 - 6131 SYS 2044 TIP3 H1 A 0.417000 1.0079 - 6132 SYS 2044 TIP3 H2 A 0.417000 1.0079 - 6133 SYS 2045 TIP3 O1 C -0.834000 15.9994 - 6134 SYS 2045 TIP3 H1 A 0.417000 1.0079 - 6135 SYS 2045 TIP3 H2 A 0.417000 1.0079 - 6136 SYS 2046 TIP3 O1 C -0.834000 15.9994 - 6137 SYS 2046 TIP3 H1 A 0.417000 1.0079 - 6138 SYS 2046 TIP3 H2 A 0.417000 1.0079 - 6139 SYS 2047 TIP3 O1 C -0.834000 15.9994 - 6140 SYS 2047 TIP3 H1 A 0.417000 1.0079 - 6141 SYS 2047 TIP3 H2 A 0.417000 1.0079 - 6142 SYS 2048 TIP3 O1 C -0.834000 15.9994 - 6143 SYS 2048 TIP3 H1 A 0.417000 1.0079 - 6144 SYS 2048 TIP3 H2 A 0.417000 1.0079 - 6145 SYS 2049 TIP3 O1 C -0.834000 15.9994 - 6146 SYS 2049 TIP3 H1 A 0.417000 1.0079 - 6147 SYS 2049 TIP3 H2 A 0.417000 1.0079 - 6148 SYS 2050 TIP3 O1 C -0.834000 15.9994 - 6149 SYS 2050 TIP3 H1 A 0.417000 1.0079 - 6150 SYS 2050 TIP3 H2 A 0.417000 1.0079 - 6151 SYS 2051 TIP3 O1 C -0.834000 15.9994 - 6152 SYS 2051 TIP3 H1 A 0.417000 1.0079 - 6153 SYS 2051 TIP3 H2 A 0.417000 1.0079 - 6154 SYS 2052 TIP3 O1 C -0.834000 15.9994 - 6155 SYS 2052 TIP3 H1 A 0.417000 1.0079 - 6156 SYS 2052 TIP3 H2 A 0.417000 1.0079 - 6157 SYS 2053 TIP3 O1 C -0.834000 15.9994 - 6158 SYS 2053 TIP3 H1 A 0.417000 1.0079 - 6159 SYS 2053 TIP3 H2 A 0.417000 1.0079 - 6160 SYS 2054 TIP3 O1 C -0.834000 15.9994 - 6161 SYS 2054 TIP3 H1 A 0.417000 1.0079 - 6162 SYS 2054 TIP3 H2 A 0.417000 1.0079 - 6163 SYS 2055 TIP3 O1 C -0.834000 15.9994 - 6164 SYS 2055 TIP3 H1 A 0.417000 1.0079 - 6165 SYS 2055 TIP3 H2 A 0.417000 1.0079 - 6166 SYS 2056 TIP3 O1 C -0.834000 15.9994 - 6167 SYS 2056 TIP3 H1 A 0.417000 1.0079 - 6168 SYS 2056 TIP3 H2 A 0.417000 1.0079 - 6169 SYS 2057 TIP3 O1 C -0.834000 15.9994 - 6170 SYS 2057 TIP3 H1 A 0.417000 1.0079 - 6171 SYS 2057 TIP3 H2 A 0.417000 1.0079 - 6172 SYS 2058 TIP3 O1 C -0.834000 15.9994 - 6173 SYS 2058 TIP3 H1 A 0.417000 1.0079 - 6174 SYS 2058 TIP3 H2 A 0.417000 1.0079 - 6175 SYS 2059 TIP3 O1 C -0.834000 15.9994 - 6176 SYS 2059 TIP3 H1 A 0.417000 1.0079 - 6177 SYS 2059 TIP3 H2 A 0.417000 1.0079 - 6178 SYS 2060 TIP3 O1 C -0.834000 15.9994 - 6179 SYS 2060 TIP3 H1 A 0.417000 1.0079 - 6180 SYS 2060 TIP3 H2 A 0.417000 1.0079 - 6181 SYS 2061 TIP3 O1 C -0.834000 15.9994 - 6182 SYS 2061 TIP3 H1 A 0.417000 1.0079 - 6183 SYS 2061 TIP3 H2 A 0.417000 1.0079 - 6184 SYS 2062 TIP3 O1 C -0.834000 15.9994 - 6185 SYS 2062 TIP3 H1 A 0.417000 1.0079 - 6186 SYS 2062 TIP3 H2 A 0.417000 1.0079 - 6187 SYS 2063 TIP3 O1 C -0.834000 15.9994 - 6188 SYS 2063 TIP3 H1 A 0.417000 1.0079 - 6189 SYS 2063 TIP3 H2 A 0.417000 1.0079 - 6190 SYS 2064 TIP3 O1 C -0.834000 15.9994 - 6191 SYS 2064 TIP3 H1 A 0.417000 1.0079 - 6192 SYS 2064 TIP3 H2 A 0.417000 1.0079 - 6193 SYS 2065 TIP3 O1 C -0.834000 15.9994 - 6194 SYS 2065 TIP3 H1 A 0.417000 1.0079 - 6195 SYS 2065 TIP3 H2 A 0.417000 1.0079 - 6196 SYS 2066 TIP3 O1 C -0.834000 15.9994 - 6197 SYS 2066 TIP3 H1 A 0.417000 1.0079 - 6198 SYS 2066 TIP3 H2 A 0.417000 1.0079 - 6199 SYS 2067 TIP3 O1 C -0.834000 15.9994 - 6200 SYS 2067 TIP3 H1 A 0.417000 1.0079 - 6201 SYS 2067 TIP3 H2 A 0.417000 1.0079 - 6202 SYS 2068 TIP3 O1 C -0.834000 15.9994 - 6203 SYS 2068 TIP3 H1 A 0.417000 1.0079 - 6204 SYS 2068 TIP3 H2 A 0.417000 1.0079 - 6205 SYS 2069 TIP3 O1 C -0.834000 15.9994 - 6206 SYS 2069 TIP3 H1 A 0.417000 1.0079 - 6207 SYS 2069 TIP3 H2 A 0.417000 1.0079 - 6208 SYS 2070 TIP3 O1 C -0.834000 15.9994 - 6209 SYS 2070 TIP3 H1 A 0.417000 1.0079 - 6210 SYS 2070 TIP3 H2 A 0.417000 1.0079 - 6211 SYS 2071 TIP3 O1 C -0.834000 15.9994 - 6212 SYS 2071 TIP3 H1 A 0.417000 1.0079 - 6213 SYS 2071 TIP3 H2 A 0.417000 1.0079 - 6214 SYS 2072 TIP3 O1 C -0.834000 15.9994 - 6215 SYS 2072 TIP3 H1 A 0.417000 1.0079 - 6216 SYS 2072 TIP3 H2 A 0.417000 1.0079 - 6217 SYS 2073 TIP3 O1 C -0.834000 15.9994 - 6218 SYS 2073 TIP3 H1 A 0.417000 1.0079 - 6219 SYS 2073 TIP3 H2 A 0.417000 1.0079 - 6220 SYS 2074 TIP3 O1 C -0.834000 15.9994 - 6221 SYS 2074 TIP3 H1 A 0.417000 1.0079 - 6222 SYS 2074 TIP3 H2 A 0.417000 1.0079 - 6223 SYS 2075 TIP3 O1 C -0.834000 15.9994 - 6224 SYS 2075 TIP3 H1 A 0.417000 1.0079 - 6225 SYS 2075 TIP3 H2 A 0.417000 1.0079 - 6226 SYS 2076 TIP3 O1 C -0.834000 15.9994 - 6227 SYS 2076 TIP3 H1 A 0.417000 1.0079 - 6228 SYS 2076 TIP3 H2 A 0.417000 1.0079 - 6229 SYS 2077 TIP3 O1 C -0.834000 15.9994 - 6230 SYS 2077 TIP3 H1 A 0.417000 1.0079 - 6231 SYS 2077 TIP3 H2 A 0.417000 1.0079 - 6232 SYS 2078 TIP3 O1 C -0.834000 15.9994 - 6233 SYS 2078 TIP3 H1 A 0.417000 1.0079 - 6234 SYS 2078 TIP3 H2 A 0.417000 1.0079 - 6235 SYS 2079 TIP3 O1 C -0.834000 15.9994 - 6236 SYS 2079 TIP3 H1 A 0.417000 1.0079 - 6237 SYS 2079 TIP3 H2 A 0.417000 1.0079 - 6238 SYS 2080 TIP3 O1 C -0.834000 15.9994 - 6239 SYS 2080 TIP3 H1 A 0.417000 1.0079 - 6240 SYS 2080 TIP3 H2 A 0.417000 1.0079 - 6241 SYS 2081 TIP3 O1 C -0.834000 15.9994 - 6242 SYS 2081 TIP3 H1 A 0.417000 1.0079 - 6243 SYS 2081 TIP3 H2 A 0.417000 1.0079 - 6244 SYS 2082 TIP3 O1 C -0.834000 15.9994 - 6245 SYS 2082 TIP3 H1 A 0.417000 1.0079 - 6246 SYS 2082 TIP3 H2 A 0.417000 1.0079 - 6247 SYS 2083 TIP3 O1 C -0.834000 15.9994 - 6248 SYS 2083 TIP3 H1 A 0.417000 1.0079 - 6249 SYS 2083 TIP3 H2 A 0.417000 1.0079 - 6250 SYS 2084 TIP3 O1 C -0.834000 15.9994 - 6251 SYS 2084 TIP3 H1 A 0.417000 1.0079 - 6252 SYS 2084 TIP3 H2 A 0.417000 1.0079 - 6253 SYS 2085 TIP3 O1 C -0.834000 15.9994 - 6254 SYS 2085 TIP3 H1 A 0.417000 1.0079 - 6255 SYS 2085 TIP3 H2 A 0.417000 1.0079 - 6256 SYS 2086 TIP3 O1 C -0.834000 15.9994 - 6257 SYS 2086 TIP3 H1 A 0.417000 1.0079 - 6258 SYS 2086 TIP3 H2 A 0.417000 1.0079 - 6259 SYS 2087 TIP3 O1 C -0.834000 15.9994 - 6260 SYS 2087 TIP3 H1 A 0.417000 1.0079 - 6261 SYS 2087 TIP3 H2 A 0.417000 1.0079 - 6262 SYS 2088 TIP3 O1 C -0.834000 15.9994 - 6263 SYS 2088 TIP3 H1 A 0.417000 1.0079 - 6264 SYS 2088 TIP3 H2 A 0.417000 1.0079 - 6265 SYS 2089 TIP3 O1 C -0.834000 15.9994 - 6266 SYS 2089 TIP3 H1 A 0.417000 1.0079 - 6267 SYS 2089 TIP3 H2 A 0.417000 1.0079 - 6268 SYS 2090 TIP3 O1 C -0.834000 15.9994 - 6269 SYS 2090 TIP3 H1 A 0.417000 1.0079 - 6270 SYS 2090 TIP3 H2 A 0.417000 1.0079 - 6271 SYS 2091 TIP3 O1 C -0.834000 15.9994 - 6272 SYS 2091 TIP3 H1 A 0.417000 1.0079 - 6273 SYS 2091 TIP3 H2 A 0.417000 1.0079 - 6274 SYS 2092 TIP3 O1 C -0.834000 15.9994 - 6275 SYS 2092 TIP3 H1 A 0.417000 1.0079 - 6276 SYS 2092 TIP3 H2 A 0.417000 1.0079 - 6277 SYS 2093 TIP3 O1 C -0.834000 15.9994 - 6278 SYS 2093 TIP3 H1 A 0.417000 1.0079 - 6279 SYS 2093 TIP3 H2 A 0.417000 1.0079 - 6280 SYS 2094 TIP3 O1 C -0.834000 15.9994 - 6281 SYS 2094 TIP3 H1 A 0.417000 1.0079 - 6282 SYS 2094 TIP3 H2 A 0.417000 1.0079 - 6283 SYS 2095 TIP3 O1 C -0.834000 15.9994 - 6284 SYS 2095 TIP3 H1 A 0.417000 1.0079 - 6285 SYS 2095 TIP3 H2 A 0.417000 1.0079 - 6286 SYS 2096 TIP3 O1 C -0.834000 15.9994 - 6287 SYS 2096 TIP3 H1 A 0.417000 1.0079 - 6288 SYS 2096 TIP3 H2 A 0.417000 1.0079 - 6289 SYS 2097 TIP3 O1 C -0.834000 15.9994 - 6290 SYS 2097 TIP3 H1 A 0.417000 1.0079 - 6291 SYS 2097 TIP3 H2 A 0.417000 1.0079 - 6292 SYS 2098 TIP3 O1 C -0.834000 15.9994 - 6293 SYS 2098 TIP3 H1 A 0.417000 1.0079 - 6294 SYS 2098 TIP3 H2 A 0.417000 1.0079 - 6295 SYS 2099 TIP3 O1 C -0.834000 15.9994 - 6296 SYS 2099 TIP3 H1 A 0.417000 1.0079 - 6297 SYS 2099 TIP3 H2 A 0.417000 1.0079 - 6298 SYS 2100 TIP3 O1 C -0.834000 15.9994 - 6299 SYS 2100 TIP3 H1 A 0.417000 1.0079 - 6300 SYS 2100 TIP3 H2 A 0.417000 1.0079 - 6301 SYS 2101 TIP3 O1 C -0.834000 15.9994 - 6302 SYS 2101 TIP3 H1 A 0.417000 1.0079 - 6303 SYS 2101 TIP3 H2 A 0.417000 1.0079 - 6304 SYS 2102 TIP3 O1 C -0.834000 15.9994 - 6305 SYS 2102 TIP3 H1 A 0.417000 1.0079 - 6306 SYS 2102 TIP3 H2 A 0.417000 1.0079 - 6307 SYS 2103 TIP3 O1 C -0.834000 15.9994 - 6308 SYS 2103 TIP3 H1 A 0.417000 1.0079 - 6309 SYS 2103 TIP3 H2 A 0.417000 1.0079 - 6310 SYS 2104 TIP3 O1 C -0.834000 15.9994 - 6311 SYS 2104 TIP3 H1 A 0.417000 1.0079 - 6312 SYS 2104 TIP3 H2 A 0.417000 1.0079 - 6313 SYS 2105 TIP3 O1 C -0.834000 15.9994 - 6314 SYS 2105 TIP3 H1 A 0.417000 1.0079 - 6315 SYS 2105 TIP3 H2 A 0.417000 1.0079 - 6316 SYS 2106 TIP3 O1 C -0.834000 15.9994 - 6317 SYS 2106 TIP3 H1 A 0.417000 1.0079 - 6318 SYS 2106 TIP3 H2 A 0.417000 1.0079 - 6319 SYS 2107 TIP3 O1 C -0.834000 15.9994 - 6320 SYS 2107 TIP3 H1 A 0.417000 1.0079 - 6321 SYS 2107 TIP3 H2 A 0.417000 1.0079 - 6322 SYS 2108 TIP3 O1 C -0.834000 15.9994 - 6323 SYS 2108 TIP3 H1 A 0.417000 1.0079 - 6324 SYS 2108 TIP3 H2 A 0.417000 1.0079 - 6325 SYS 2109 TIP3 O1 C -0.834000 15.9994 - 6326 SYS 2109 TIP3 H1 A 0.417000 1.0079 - 6327 SYS 2109 TIP3 H2 A 0.417000 1.0079 - 6328 SYS 2110 TIP3 O1 C -0.834000 15.9994 - 6329 SYS 2110 TIP3 H1 A 0.417000 1.0079 - 6330 SYS 2110 TIP3 H2 A 0.417000 1.0079 - 6331 SYS 2111 TIP3 O1 C -0.834000 15.9994 - 6332 SYS 2111 TIP3 H1 A 0.417000 1.0079 - 6333 SYS 2111 TIP3 H2 A 0.417000 1.0079 - 6334 SYS 2112 TIP3 O1 C -0.834000 15.9994 - 6335 SYS 2112 TIP3 H1 A 0.417000 1.0079 - 6336 SYS 2112 TIP3 H2 A 0.417000 1.0079 - 6337 SYS 2113 TIP3 O1 C -0.834000 15.9994 - 6338 SYS 2113 TIP3 H1 A 0.417000 1.0079 - 6339 SYS 2113 TIP3 H2 A 0.417000 1.0079 - 6340 SYS 2114 TIP3 O1 C -0.834000 15.9994 - 6341 SYS 2114 TIP3 H1 A 0.417000 1.0079 - 6342 SYS 2114 TIP3 H2 A 0.417000 1.0079 - 6343 SYS 2115 TIP3 O1 C -0.834000 15.9994 - 6344 SYS 2115 TIP3 H1 A 0.417000 1.0079 - 6345 SYS 2115 TIP3 H2 A 0.417000 1.0079 - 6346 SYS 2116 TIP3 O1 C -0.834000 15.9994 - 6347 SYS 2116 TIP3 H1 A 0.417000 1.0079 - 6348 SYS 2116 TIP3 H2 A 0.417000 1.0079 - 6349 SYS 2117 TIP3 O1 C -0.834000 15.9994 - 6350 SYS 2117 TIP3 H1 A 0.417000 1.0079 - 6351 SYS 2117 TIP3 H2 A 0.417000 1.0079 - 6352 SYS 2118 TIP3 O1 C -0.834000 15.9994 - 6353 SYS 2118 TIP3 H1 A 0.417000 1.0079 - 6354 SYS 2118 TIP3 H2 A 0.417000 1.0079 - 6355 SYS 2119 TIP3 O1 C -0.834000 15.9994 - 6356 SYS 2119 TIP3 H1 A 0.417000 1.0079 - 6357 SYS 2119 TIP3 H2 A 0.417000 1.0079 - 6358 SYS 2120 TIP3 O1 C -0.834000 15.9994 - 6359 SYS 2120 TIP3 H1 A 0.417000 1.0079 - 6360 SYS 2120 TIP3 H2 A 0.417000 1.0079 - 6361 SYS 2121 TIP3 O1 C -0.834000 15.9994 - 6362 SYS 2121 TIP3 H1 A 0.417000 1.0079 - 6363 SYS 2121 TIP3 H2 A 0.417000 1.0079 - 6364 SYS 2122 TIP3 O1 C -0.834000 15.9994 - 6365 SYS 2122 TIP3 H1 A 0.417000 1.0079 - 6366 SYS 2122 TIP3 H2 A 0.417000 1.0079 - 6367 SYS 2123 TIP3 O1 C -0.834000 15.9994 - 6368 SYS 2123 TIP3 H1 A 0.417000 1.0079 - 6369 SYS 2123 TIP3 H2 A 0.417000 1.0079 - 6370 SYS 2124 TIP3 O1 C -0.834000 15.9994 - 6371 SYS 2124 TIP3 H1 A 0.417000 1.0079 - 6372 SYS 2124 TIP3 H2 A 0.417000 1.0079 - 6373 SYS 2125 TIP3 O1 C -0.834000 15.9994 - 6374 SYS 2125 TIP3 H1 A 0.417000 1.0079 - 6375 SYS 2125 TIP3 H2 A 0.417000 1.0079 - 6376 SYS 2126 TIP3 O1 C -0.834000 15.9994 - 6377 SYS 2126 TIP3 H1 A 0.417000 1.0079 - 6378 SYS 2126 TIP3 H2 A 0.417000 1.0079 - 6379 SYS 2127 TIP3 O1 C -0.834000 15.9994 - 6380 SYS 2127 TIP3 H1 A 0.417000 1.0079 - 6381 SYS 2127 TIP3 H2 A 0.417000 1.0079 - 6382 SYS 2128 TIP3 O1 C -0.834000 15.9994 - 6383 SYS 2128 TIP3 H1 A 0.417000 1.0079 - 6384 SYS 2128 TIP3 H2 A 0.417000 1.0079 - 6385 SYS 2129 TIP3 O1 C -0.834000 15.9994 - 6386 SYS 2129 TIP3 H1 A 0.417000 1.0079 - 6387 SYS 2129 TIP3 H2 A 0.417000 1.0079 - 6388 SYS 2130 TIP3 O1 C -0.834000 15.9994 - 6389 SYS 2130 TIP3 H1 A 0.417000 1.0079 - 6390 SYS 2130 TIP3 H2 A 0.417000 1.0079 - 6391 SYS 2131 TIP3 O1 C -0.834000 15.9994 - 6392 SYS 2131 TIP3 H1 A 0.417000 1.0079 - 6393 SYS 2131 TIP3 H2 A 0.417000 1.0079 - 6394 SYS 2132 TIP3 O1 C -0.834000 15.9994 - 6395 SYS 2132 TIP3 H1 A 0.417000 1.0079 - 6396 SYS 2132 TIP3 H2 A 0.417000 1.0079 - 6397 SYS 2133 TIP3 O1 C -0.834000 15.9994 - 6398 SYS 2133 TIP3 H1 A 0.417000 1.0079 - 6399 SYS 2133 TIP3 H2 A 0.417000 1.0079 - 6400 SYS 2134 TIP3 O1 C -0.834000 15.9994 - 6401 SYS 2134 TIP3 H1 A 0.417000 1.0079 - 6402 SYS 2134 TIP3 H2 A 0.417000 1.0079 - 6403 SYS 2135 TIP3 O1 C -0.834000 15.9994 - 6404 SYS 2135 TIP3 H1 A 0.417000 1.0079 - 6405 SYS 2135 TIP3 H2 A 0.417000 1.0079 - 6406 SYS 2136 TIP3 O1 C -0.834000 15.9994 - 6407 SYS 2136 TIP3 H1 A 0.417000 1.0079 - 6408 SYS 2136 TIP3 H2 A 0.417000 1.0079 - 6409 SYS 2137 TIP3 O1 C -0.834000 15.9994 - 6410 SYS 2137 TIP3 H1 A 0.417000 1.0079 - 6411 SYS 2137 TIP3 H2 A 0.417000 1.0079 - 6412 SYS 2138 TIP3 O1 C -0.834000 15.9994 - 6413 SYS 2138 TIP3 H1 A 0.417000 1.0079 - 6414 SYS 2138 TIP3 H2 A 0.417000 1.0079 - 6415 SYS 2139 TIP3 O1 C -0.834000 15.9994 - 6416 SYS 2139 TIP3 H1 A 0.417000 1.0079 - 6417 SYS 2139 TIP3 H2 A 0.417000 1.0079 - 6418 SYS 2140 TIP3 O1 C -0.834000 15.9994 - 6419 SYS 2140 TIP3 H1 A 0.417000 1.0079 - 6420 SYS 2140 TIP3 H2 A 0.417000 1.0079 - 6421 SYS 2141 TIP3 O1 C -0.834000 15.9994 - 6422 SYS 2141 TIP3 H1 A 0.417000 1.0079 - 6423 SYS 2141 TIP3 H2 A 0.417000 1.0079 - 6424 SYS 2142 TIP3 O1 C -0.834000 15.9994 - 6425 SYS 2142 TIP3 H1 A 0.417000 1.0079 - 6426 SYS 2142 TIP3 H2 A 0.417000 1.0079 - 6427 SYS 2143 TIP3 O1 C -0.834000 15.9994 - 6428 SYS 2143 TIP3 H1 A 0.417000 1.0079 - 6429 SYS 2143 TIP3 H2 A 0.417000 1.0079 - 6430 SYS 2144 TIP3 O1 C -0.834000 15.9994 - 6431 SYS 2144 TIP3 H1 A 0.417000 1.0079 - 6432 SYS 2144 TIP3 H2 A 0.417000 1.0079 - 6433 SYS 2145 TIP3 O1 C -0.834000 15.9994 - 6434 SYS 2145 TIP3 H1 A 0.417000 1.0079 - 6435 SYS 2145 TIP3 H2 A 0.417000 1.0079 - 6436 SYS 2146 TIP3 O1 C -0.834000 15.9994 - 6437 SYS 2146 TIP3 H1 A 0.417000 1.0079 - 6438 SYS 2146 TIP3 H2 A 0.417000 1.0079 - 6439 SYS 2147 TIP3 O1 C -0.834000 15.9994 - 6440 SYS 2147 TIP3 H1 A 0.417000 1.0079 - 6441 SYS 2147 TIP3 H2 A 0.417000 1.0079 - 6442 SYS 2148 TIP3 O1 C -0.834000 15.9994 - 6443 SYS 2148 TIP3 H1 A 0.417000 1.0079 - 6444 SYS 2148 TIP3 H2 A 0.417000 1.0079 - 6445 SYS 2149 TIP3 O1 C -0.834000 15.9994 - 6446 SYS 2149 TIP3 H1 A 0.417000 1.0079 - 6447 SYS 2149 TIP3 H2 A 0.417000 1.0079 - 6448 SYS 2150 TIP3 O1 C -0.834000 15.9994 - 6449 SYS 2150 TIP3 H1 A 0.417000 1.0079 - 6450 SYS 2150 TIP3 H2 A 0.417000 1.0079 - 6451 SYS 2151 TIP3 O1 C -0.834000 15.9994 - 6452 SYS 2151 TIP3 H1 A 0.417000 1.0079 - 6453 SYS 2151 TIP3 H2 A 0.417000 1.0079 - 6454 SYS 2152 TIP3 O1 C -0.834000 15.9994 - 6455 SYS 2152 TIP3 H1 A 0.417000 1.0079 - 6456 SYS 2152 TIP3 H2 A 0.417000 1.0079 - 6457 SYS 2153 TIP3 O1 C -0.834000 15.9994 - 6458 SYS 2153 TIP3 H1 A 0.417000 1.0079 - 6459 SYS 2153 TIP3 H2 A 0.417000 1.0079 - 6460 SYS 2154 TIP3 O1 C -0.834000 15.9994 - 6461 SYS 2154 TIP3 H1 A 0.417000 1.0079 - 6462 SYS 2154 TIP3 H2 A 0.417000 1.0079 - 6463 SYS 2155 TIP3 O1 C -0.834000 15.9994 - 6464 SYS 2155 TIP3 H1 A 0.417000 1.0079 - 6465 SYS 2155 TIP3 H2 A 0.417000 1.0079 - 6466 SYS 2156 TIP3 O1 C -0.834000 15.9994 - 6467 SYS 2156 TIP3 H1 A 0.417000 1.0079 - 6468 SYS 2156 TIP3 H2 A 0.417000 1.0079 - 6469 SYS 2157 TIP3 O1 C -0.834000 15.9994 - 6470 SYS 2157 TIP3 H1 A 0.417000 1.0079 - 6471 SYS 2157 TIP3 H2 A 0.417000 1.0079 - 6472 SYS 2158 TIP3 O1 C -0.834000 15.9994 - 6473 SYS 2158 TIP3 H1 A 0.417000 1.0079 - 6474 SYS 2158 TIP3 H2 A 0.417000 1.0079 - 6475 SYS 2159 TIP3 O1 C -0.834000 15.9994 - 6476 SYS 2159 TIP3 H1 A 0.417000 1.0079 - 6477 SYS 2159 TIP3 H2 A 0.417000 1.0079 - 6478 SYS 2160 TIP3 O1 C -0.834000 15.9994 - 6479 SYS 2160 TIP3 H1 A 0.417000 1.0079 - 6480 SYS 2160 TIP3 H2 A 0.417000 1.0079 - 6481 SYS 2161 TIP3 O1 C -0.834000 15.9994 - 6482 SYS 2161 TIP3 H1 A 0.417000 1.0079 - 6483 SYS 2161 TIP3 H2 A 0.417000 1.0079 - 6484 SYS 2162 TIP3 O1 C -0.834000 15.9994 - 6485 SYS 2162 TIP3 H1 A 0.417000 1.0079 - 6486 SYS 2162 TIP3 H2 A 0.417000 1.0079 - 6487 SYS 2163 TIP3 O1 C -0.834000 15.9994 - 6488 SYS 2163 TIP3 H1 A 0.417000 1.0079 - 6489 SYS 2163 TIP3 H2 A 0.417000 1.0079 - 6490 SYS 2164 TIP3 O1 C -0.834000 15.9994 - 6491 SYS 2164 TIP3 H1 A 0.417000 1.0079 - 6492 SYS 2164 TIP3 H2 A 0.417000 1.0079 - 6493 SYS 2165 TIP3 O1 C -0.834000 15.9994 - 6494 SYS 2165 TIP3 H1 A 0.417000 1.0079 - 6495 SYS 2165 TIP3 H2 A 0.417000 1.0079 - 6496 SYS 2166 TIP3 O1 C -0.834000 15.9994 - 6497 SYS 2166 TIP3 H1 A 0.417000 1.0079 - 6498 SYS 2166 TIP3 H2 A 0.417000 1.0079 - 6499 SYS 2167 TIP3 O1 C -0.834000 15.9994 - 6500 SYS 2167 TIP3 H1 A 0.417000 1.0079 - 6501 SYS 2167 TIP3 H2 A 0.417000 1.0079 - 6502 SYS 2168 TIP3 O1 C -0.834000 15.9994 - 6503 SYS 2168 TIP3 H1 A 0.417000 1.0079 - 6504 SYS 2168 TIP3 H2 A 0.417000 1.0079 - 6505 SYS 2169 TIP3 O1 C -0.834000 15.9994 - 6506 SYS 2169 TIP3 H1 A 0.417000 1.0079 - 6507 SYS 2169 TIP3 H2 A 0.417000 1.0079 - 6508 SYS 2170 TIP3 O1 C -0.834000 15.9994 - 6509 SYS 2170 TIP3 H1 A 0.417000 1.0079 - 6510 SYS 2170 TIP3 H2 A 0.417000 1.0079 - 6511 SYS 2171 TIP3 O1 C -0.834000 15.9994 - 6512 SYS 2171 TIP3 H1 A 0.417000 1.0079 - 6513 SYS 2171 TIP3 H2 A 0.417000 1.0079 - 6514 SYS 2172 TIP3 O1 C -0.834000 15.9994 - 6515 SYS 2172 TIP3 H1 A 0.417000 1.0079 - 6516 SYS 2172 TIP3 H2 A 0.417000 1.0079 - 6517 SYS 2173 TIP3 O1 C -0.834000 15.9994 - 6518 SYS 2173 TIP3 H1 A 0.417000 1.0079 - 6519 SYS 2173 TIP3 H2 A 0.417000 1.0079 - 6520 SYS 2174 TIP3 O1 C -0.834000 15.9994 - 6521 SYS 2174 TIP3 H1 A 0.417000 1.0079 - 6522 SYS 2174 TIP3 H2 A 0.417000 1.0079 - 6523 SYS 2175 TIP3 O1 C -0.834000 15.9994 - 6524 SYS 2175 TIP3 H1 A 0.417000 1.0079 - 6525 SYS 2175 TIP3 H2 A 0.417000 1.0079 - 6526 SYS 2176 TIP3 O1 C -0.834000 15.9994 - 6527 SYS 2176 TIP3 H1 A 0.417000 1.0079 - 6528 SYS 2176 TIP3 H2 A 0.417000 1.0079 - 6529 SYS 2177 TIP3 O1 C -0.834000 15.9994 - 6530 SYS 2177 TIP3 H1 A 0.417000 1.0079 - 6531 SYS 2177 TIP3 H2 A 0.417000 1.0079 - 6532 SYS 2178 TIP3 O1 C -0.834000 15.9994 - 6533 SYS 2178 TIP3 H1 A 0.417000 1.0079 - 6534 SYS 2178 TIP3 H2 A 0.417000 1.0079 - 6535 SYS 2179 TIP3 O1 C -0.834000 15.9994 - 6536 SYS 2179 TIP3 H1 A 0.417000 1.0079 - 6537 SYS 2179 TIP3 H2 A 0.417000 1.0079 - 6538 SYS 2180 TIP3 O1 C -0.834000 15.9994 - 6539 SYS 2180 TIP3 H1 A 0.417000 1.0079 - 6540 SYS 2180 TIP3 H2 A 0.417000 1.0079 - 6541 SYS 2181 TIP3 O1 C -0.834000 15.9994 - 6542 SYS 2181 TIP3 H1 A 0.417000 1.0079 - 6543 SYS 2181 TIP3 H2 A 0.417000 1.0079 - 6544 SYS 2182 TIP3 O1 C -0.834000 15.9994 - 6545 SYS 2182 TIP3 H1 A 0.417000 1.0079 - 6546 SYS 2182 TIP3 H2 A 0.417000 1.0079 - 6547 SYS 2183 TIP3 O1 C -0.834000 15.9994 - 6548 SYS 2183 TIP3 H1 A 0.417000 1.0079 - 6549 SYS 2183 TIP3 H2 A 0.417000 1.0079 - 6550 SYS 2184 TIP3 O1 C -0.834000 15.9994 - 6551 SYS 2184 TIP3 H1 A 0.417000 1.0079 - 6552 SYS 2184 TIP3 H2 A 0.417000 1.0079 - 6553 SYS 2185 TIP3 O1 C -0.834000 15.9994 - 6554 SYS 2185 TIP3 H1 A 0.417000 1.0079 - 6555 SYS 2185 TIP3 H2 A 0.417000 1.0079 - 6556 SYS 2186 TIP3 O1 C -0.834000 15.9994 - 6557 SYS 2186 TIP3 H1 A 0.417000 1.0079 - 6558 SYS 2186 TIP3 H2 A 0.417000 1.0079 - 6559 SYS 2187 TIP3 O1 C -0.834000 15.9994 - 6560 SYS 2187 TIP3 H1 A 0.417000 1.0079 - 6561 SYS 2187 TIP3 H2 A 0.417000 1.0079 - 6562 SYS 2188 TIP3 O1 C -0.834000 15.9994 - 6563 SYS 2188 TIP3 H1 A 0.417000 1.0079 - 6564 SYS 2188 TIP3 H2 A 0.417000 1.0079 - 6565 SYS 2189 TIP3 O1 C -0.834000 15.9994 - 6566 SYS 2189 TIP3 H1 A 0.417000 1.0079 - 6567 SYS 2189 TIP3 H2 A 0.417000 1.0079 - 6568 SYS 2190 TIP3 O1 C -0.834000 15.9994 - 6569 SYS 2190 TIP3 H1 A 0.417000 1.0079 - 6570 SYS 2190 TIP3 H2 A 0.417000 1.0079 - 6571 SYS 2191 TIP3 O1 C -0.834000 15.9994 - 6572 SYS 2191 TIP3 H1 A 0.417000 1.0079 - 6573 SYS 2191 TIP3 H2 A 0.417000 1.0079 - 6574 SYS 2192 TIP3 O1 C -0.834000 15.9994 - 6575 SYS 2192 TIP3 H1 A 0.417000 1.0079 - 6576 SYS 2192 TIP3 H2 A 0.417000 1.0079 - 6577 SYS 2193 TIP3 O1 C -0.834000 15.9994 - 6578 SYS 2193 TIP3 H1 A 0.417000 1.0079 - 6579 SYS 2193 TIP3 H2 A 0.417000 1.0079 - 6580 SYS 2194 TIP3 O1 C -0.834000 15.9994 - 6581 SYS 2194 TIP3 H1 A 0.417000 1.0079 - 6582 SYS 2194 TIP3 H2 A 0.417000 1.0079 - 6583 SYS 2195 TIP3 O1 C -0.834000 15.9994 - 6584 SYS 2195 TIP3 H1 A 0.417000 1.0079 - 6585 SYS 2195 TIP3 H2 A 0.417000 1.0079 - 6586 SYS 2196 TIP3 O1 C -0.834000 15.9994 - 6587 SYS 2196 TIP3 H1 A 0.417000 1.0079 - 6588 SYS 2196 TIP3 H2 A 0.417000 1.0079 - 6589 SYS 2197 TIP3 O1 C -0.834000 15.9994 - 6590 SYS 2197 TIP3 H1 A 0.417000 1.0079 - 6591 SYS 2197 TIP3 H2 A 0.417000 1.0079 - 6592 SYS 2198 TIP3 O1 C -0.834000 15.9994 - 6593 SYS 2198 TIP3 H1 A 0.417000 1.0079 - 6594 SYS 2198 TIP3 H2 A 0.417000 1.0079 - 6595 SYS 2199 TIP3 O1 C -0.834000 15.9994 - 6596 SYS 2199 TIP3 H1 A 0.417000 1.0079 - 6597 SYS 2199 TIP3 H2 A 0.417000 1.0079 - 6598 SYS 2200 TIP3 O1 C -0.834000 15.9994 - 6599 SYS 2200 TIP3 H1 A 0.417000 1.0079 - 6600 SYS 2200 TIP3 H2 A 0.417000 1.0079 - 6601 SYS 2201 TIP3 O1 C -0.834000 15.9994 - 6602 SYS 2201 TIP3 H1 A 0.417000 1.0079 - 6603 SYS 2201 TIP3 H2 A 0.417000 1.0079 - 6604 SYS 2202 TIP3 O1 C -0.834000 15.9994 - 6605 SYS 2202 TIP3 H1 A 0.417000 1.0079 - 6606 SYS 2202 TIP3 H2 A 0.417000 1.0079 - 6607 SYS 2203 TIP3 O1 C -0.834000 15.9994 - 6608 SYS 2203 TIP3 H1 A 0.417000 1.0079 - 6609 SYS 2203 TIP3 H2 A 0.417000 1.0079 - 6610 SYS 2204 TIP3 O1 C -0.834000 15.9994 - 6611 SYS 2204 TIP3 H1 A 0.417000 1.0079 - 6612 SYS 2204 TIP3 H2 A 0.417000 1.0079 - 6613 SYS 2205 TIP3 O1 C -0.834000 15.9994 - 6614 SYS 2205 TIP3 H1 A 0.417000 1.0079 - 6615 SYS 2205 TIP3 H2 A 0.417000 1.0079 - 6616 SYS 2206 TIP3 O1 C -0.834000 15.9994 - 6617 SYS 2206 TIP3 H1 A 0.417000 1.0079 - 6618 SYS 2206 TIP3 H2 A 0.417000 1.0079 - 6619 SYS 2207 TIP3 O1 C -0.834000 15.9994 - 6620 SYS 2207 TIP3 H1 A 0.417000 1.0079 - 6621 SYS 2207 TIP3 H2 A 0.417000 1.0079 - 6622 SYS 2208 TIP3 O1 C -0.834000 15.9994 - 6623 SYS 2208 TIP3 H1 A 0.417000 1.0079 - 6624 SYS 2208 TIP3 H2 A 0.417000 1.0079 - 6625 SYS 2209 TIP3 O1 C -0.834000 15.9994 - 6626 SYS 2209 TIP3 H1 A 0.417000 1.0079 - 6627 SYS 2209 TIP3 H2 A 0.417000 1.0079 - 6628 SYS 2210 TIP3 O1 C -0.834000 15.9994 - 6629 SYS 2210 TIP3 H1 A 0.417000 1.0079 - 6630 SYS 2210 TIP3 H2 A 0.417000 1.0079 - 6631 SYS 2211 TIP3 O1 C -0.834000 15.9994 - 6632 SYS 2211 TIP3 H1 A 0.417000 1.0079 - 6633 SYS 2211 TIP3 H2 A 0.417000 1.0079 - 6634 SYS 2212 TIP3 O1 C -0.834000 15.9994 - 6635 SYS 2212 TIP3 H1 A 0.417000 1.0079 - 6636 SYS 2212 TIP3 H2 A 0.417000 1.0079 - 6637 SYS 2213 TIP3 O1 C -0.834000 15.9994 - 6638 SYS 2213 TIP3 H1 A 0.417000 1.0079 - 6639 SYS 2213 TIP3 H2 A 0.417000 1.0079 - 6640 SYS 2214 TIP3 O1 C -0.834000 15.9994 - 6641 SYS 2214 TIP3 H1 A 0.417000 1.0079 - 6642 SYS 2214 TIP3 H2 A 0.417000 1.0079 - 6643 SYS 2215 TIP3 O1 C -0.834000 15.9994 - 6644 SYS 2215 TIP3 H1 A 0.417000 1.0079 - 6645 SYS 2215 TIP3 H2 A 0.417000 1.0079 - 6646 SYS 2216 TIP3 O1 C -0.834000 15.9994 - 6647 SYS 2216 TIP3 H1 A 0.417000 1.0079 - 6648 SYS 2216 TIP3 H2 A 0.417000 1.0079 - 6649 SYS 2217 TIP3 O1 C -0.834000 15.9994 - 6650 SYS 2217 TIP3 H1 A 0.417000 1.0079 - 6651 SYS 2217 TIP3 H2 A 0.417000 1.0079 - 6652 SYS 2218 TIP3 O1 C -0.834000 15.9994 - 6653 SYS 2218 TIP3 H1 A 0.417000 1.0079 - 6654 SYS 2218 TIP3 H2 A 0.417000 1.0079 - 6655 SYS 2219 TIP3 O1 C -0.834000 15.9994 - 6656 SYS 2219 TIP3 H1 A 0.417000 1.0079 - 6657 SYS 2219 TIP3 H2 A 0.417000 1.0079 - 6658 SYS 2220 TIP3 O1 C -0.834000 15.9994 - 6659 SYS 2220 TIP3 H1 A 0.417000 1.0079 - 6660 SYS 2220 TIP3 H2 A 0.417000 1.0079 - 6661 SYS 2221 TIP3 O1 C -0.834000 15.9994 - 6662 SYS 2221 TIP3 H1 A 0.417000 1.0079 - 6663 SYS 2221 TIP3 H2 A 0.417000 1.0079 - 6664 SYS 2222 TIP3 O1 C -0.834000 15.9994 - 6665 SYS 2222 TIP3 H1 A 0.417000 1.0079 - 6666 SYS 2222 TIP3 H2 A 0.417000 1.0079 - 6667 SYS 2223 TIP3 O1 C -0.834000 15.9994 - 6668 SYS 2223 TIP3 H1 A 0.417000 1.0079 - 6669 SYS 2223 TIP3 H2 A 0.417000 1.0079 - 6670 SYS 2224 TIP3 O1 C -0.834000 15.9994 - 6671 SYS 2224 TIP3 H1 A 0.417000 1.0079 - 6672 SYS 2224 TIP3 H2 A 0.417000 1.0079 - 6673 SYS 2225 TIP3 O1 C -0.834000 15.9994 - 6674 SYS 2225 TIP3 H1 A 0.417000 1.0079 - 6675 SYS 2225 TIP3 H2 A 0.417000 1.0079 - 6676 SYS 2226 TIP3 O1 C -0.834000 15.9994 - 6677 SYS 2226 TIP3 H1 A 0.417000 1.0079 - 6678 SYS 2226 TIP3 H2 A 0.417000 1.0079 - 6679 SYS 2227 TIP3 O1 C -0.834000 15.9994 - 6680 SYS 2227 TIP3 H1 A 0.417000 1.0079 - 6681 SYS 2227 TIP3 H2 A 0.417000 1.0079 - 6682 SYS 2228 TIP3 O1 C -0.834000 15.9994 - 6683 SYS 2228 TIP3 H1 A 0.417000 1.0079 - 6684 SYS 2228 TIP3 H2 A 0.417000 1.0079 - 6685 SYS 2229 TIP3 O1 C -0.834000 15.9994 - 6686 SYS 2229 TIP3 H1 A 0.417000 1.0079 - 6687 SYS 2229 TIP3 H2 A 0.417000 1.0079 - 6688 SYS 2230 TIP3 O1 C -0.834000 15.9994 - 6689 SYS 2230 TIP3 H1 A 0.417000 1.0079 - 6690 SYS 2230 TIP3 H2 A 0.417000 1.0079 - 6691 SYS 2231 TIP3 O1 C -0.834000 15.9994 - 6692 SYS 2231 TIP3 H1 A 0.417000 1.0079 - 6693 SYS 2231 TIP3 H2 A 0.417000 1.0079 - 6694 SYS 2232 TIP3 O1 C -0.834000 15.9994 - 6695 SYS 2232 TIP3 H1 A 0.417000 1.0079 - 6696 SYS 2232 TIP3 H2 A 0.417000 1.0079 - 6697 SYS 2233 TIP3 O1 C -0.834000 15.9994 - 6698 SYS 2233 TIP3 H1 A 0.417000 1.0079 - 6699 SYS 2233 TIP3 H2 A 0.417000 1.0079 - 6700 SYS 2234 TIP3 O1 C -0.834000 15.9994 - 6701 SYS 2234 TIP3 H1 A 0.417000 1.0079 - 6702 SYS 2234 TIP3 H2 A 0.417000 1.0079 - 6703 SYS 2235 TIP3 O1 C -0.834000 15.9994 - 6704 SYS 2235 TIP3 H1 A 0.417000 1.0079 - 6705 SYS 2235 TIP3 H2 A 0.417000 1.0079 - 6706 SYS 2236 TIP3 O1 C -0.834000 15.9994 - 6707 SYS 2236 TIP3 H1 A 0.417000 1.0079 - 6708 SYS 2236 TIP3 H2 A 0.417000 1.0079 - 6709 SYS 2237 TIP3 O1 C -0.834000 15.9994 - 6710 SYS 2237 TIP3 H1 A 0.417000 1.0079 - 6711 SYS 2237 TIP3 H2 A 0.417000 1.0079 - 6712 SYS 2238 TIP3 O1 C -0.834000 15.9994 - 6713 SYS 2238 TIP3 H1 A 0.417000 1.0079 - 6714 SYS 2238 TIP3 H2 A 0.417000 1.0079 - 6715 SYS 2239 TIP3 O1 C -0.834000 15.9994 - 6716 SYS 2239 TIP3 H1 A 0.417000 1.0079 - 6717 SYS 2239 TIP3 H2 A 0.417000 1.0079 - 6718 SYS 2240 TIP3 O1 C -0.834000 15.9994 - 6719 SYS 2240 TIP3 H1 A 0.417000 1.0079 - 6720 SYS 2240 TIP3 H2 A 0.417000 1.0079 - 6721 SYS 2241 TIP3 O1 C -0.834000 15.9994 - 6722 SYS 2241 TIP3 H1 A 0.417000 1.0079 - 6723 SYS 2241 TIP3 H2 A 0.417000 1.0079 - 6724 SYS 2242 TIP3 O1 C -0.834000 15.9994 - 6725 SYS 2242 TIP3 H1 A 0.417000 1.0079 - 6726 SYS 2242 TIP3 H2 A 0.417000 1.0079 - 6727 SYS 2243 TIP3 O1 C -0.834000 15.9994 - 6728 SYS 2243 TIP3 H1 A 0.417000 1.0079 - 6729 SYS 2243 TIP3 H2 A 0.417000 1.0079 - 6730 SYS 2244 TIP3 O1 C -0.834000 15.9994 - 6731 SYS 2244 TIP3 H1 A 0.417000 1.0079 - 6732 SYS 2244 TIP3 H2 A 0.417000 1.0079 - 6733 SYS 2245 TIP3 O1 C -0.834000 15.9994 - 6734 SYS 2245 TIP3 H1 A 0.417000 1.0079 - 6735 SYS 2245 TIP3 H2 A 0.417000 1.0079 - 6736 SYS 2246 TIP3 O1 C -0.834000 15.9994 - 6737 SYS 2246 TIP3 H1 A 0.417000 1.0079 - 6738 SYS 2246 TIP3 H2 A 0.417000 1.0079 - 6739 SYS 2247 TIP3 O1 C -0.834000 15.9994 - 6740 SYS 2247 TIP3 H1 A 0.417000 1.0079 - 6741 SYS 2247 TIP3 H2 A 0.417000 1.0079 - 6742 SYS 2248 TIP3 O1 C -0.834000 15.9994 - 6743 SYS 2248 TIP3 H1 A 0.417000 1.0079 - 6744 SYS 2248 TIP3 H2 A 0.417000 1.0079 - 6745 SYS 2249 TIP3 O1 C -0.834000 15.9994 - 6746 SYS 2249 TIP3 H1 A 0.417000 1.0079 - 6747 SYS 2249 TIP3 H2 A 0.417000 1.0079 - 6748 SYS 2250 TIP3 O1 C -0.834000 15.9994 - 6749 SYS 2250 TIP3 H1 A 0.417000 1.0079 - 6750 SYS 2250 TIP3 H2 A 0.417000 1.0079 - 6751 SYS 2251 TIP3 O1 C -0.834000 15.9994 - 6752 SYS 2251 TIP3 H1 A 0.417000 1.0079 - 6753 SYS 2251 TIP3 H2 A 0.417000 1.0079 - 6754 SYS 2252 TIP3 O1 C -0.834000 15.9994 - 6755 SYS 2252 TIP3 H1 A 0.417000 1.0079 - 6756 SYS 2252 TIP3 H2 A 0.417000 1.0079 - 6757 SYS 2253 TIP3 O1 C -0.834000 15.9994 - 6758 SYS 2253 TIP3 H1 A 0.417000 1.0079 - 6759 SYS 2253 TIP3 H2 A 0.417000 1.0079 - 6760 SYS 2254 TIP3 O1 C -0.834000 15.9994 - 6761 SYS 2254 TIP3 H1 A 0.417000 1.0079 - 6762 SYS 2254 TIP3 H2 A 0.417000 1.0079 - 6763 SYS 2255 TIP3 O1 C -0.834000 15.9994 - 6764 SYS 2255 TIP3 H1 A 0.417000 1.0079 - 6765 SYS 2255 TIP3 H2 A 0.417000 1.0079 - 6766 SYS 2256 TIP3 O1 C -0.834000 15.9994 - 6767 SYS 2256 TIP3 H1 A 0.417000 1.0079 - 6768 SYS 2256 TIP3 H2 A 0.417000 1.0079 - 6769 SYS 2257 TIP3 O1 C -0.834000 15.9994 - 6770 SYS 2257 TIP3 H1 A 0.417000 1.0079 - 6771 SYS 2257 TIP3 H2 A 0.417000 1.0079 - 6772 SYS 2258 TIP3 O1 C -0.834000 15.9994 - 6773 SYS 2258 TIP3 H1 A 0.417000 1.0079 - 6774 SYS 2258 TIP3 H2 A 0.417000 1.0079 - 6775 SYS 2259 TIP3 O1 C -0.834000 15.9994 - 6776 SYS 2259 TIP3 H1 A 0.417000 1.0079 - 6777 SYS 2259 TIP3 H2 A 0.417000 1.0079 - 6778 SYS 2260 TIP3 O1 C -0.834000 15.9994 - 6779 SYS 2260 TIP3 H1 A 0.417000 1.0079 - 6780 SYS 2260 TIP3 H2 A 0.417000 1.0079 - 6781 SYS 2261 TIP3 O1 C -0.834000 15.9994 - 6782 SYS 2261 TIP3 H1 A 0.417000 1.0079 - 6783 SYS 2261 TIP3 H2 A 0.417000 1.0079 - 6784 SYS 2262 TIP3 O1 C -0.834000 15.9994 - 6785 SYS 2262 TIP3 H1 A 0.417000 1.0079 - 6786 SYS 2262 TIP3 H2 A 0.417000 1.0079 - 6787 SYS 2263 TIP3 O1 C -0.834000 15.9994 - 6788 SYS 2263 TIP3 H1 A 0.417000 1.0079 - 6789 SYS 2263 TIP3 H2 A 0.417000 1.0079 - 6790 SYS 2264 TIP3 O1 C -0.834000 15.9994 - 6791 SYS 2264 TIP3 H1 A 0.417000 1.0079 - 6792 SYS 2264 TIP3 H2 A 0.417000 1.0079 - 6793 SYS 2265 TIP3 O1 C -0.834000 15.9994 - 6794 SYS 2265 TIP3 H1 A 0.417000 1.0079 - 6795 SYS 2265 TIP3 H2 A 0.417000 1.0079 - 6796 SYS 2266 TIP3 O1 C -0.834000 15.9994 - 6797 SYS 2266 TIP3 H1 A 0.417000 1.0079 - 6798 SYS 2266 TIP3 H2 A 0.417000 1.0079 - 6799 SYS 2267 TIP3 O1 C -0.834000 15.9994 - 6800 SYS 2267 TIP3 H1 A 0.417000 1.0079 - 6801 SYS 2267 TIP3 H2 A 0.417000 1.0079 - 6802 SYS 2268 TIP3 O1 C -0.834000 15.9994 - 6803 SYS 2268 TIP3 H1 A 0.417000 1.0079 - 6804 SYS 2268 TIP3 H2 A 0.417000 1.0079 - 6805 SYS 2269 TIP3 O1 C -0.834000 15.9994 - 6806 SYS 2269 TIP3 H1 A 0.417000 1.0079 - 6807 SYS 2269 TIP3 H2 A 0.417000 1.0079 - 6808 SYS 2270 TIP3 O1 C -0.834000 15.9994 - 6809 SYS 2270 TIP3 H1 A 0.417000 1.0079 - 6810 SYS 2270 TIP3 H2 A 0.417000 1.0079 - 6811 SYS 2271 TIP3 O1 C -0.834000 15.9994 - 6812 SYS 2271 TIP3 H1 A 0.417000 1.0079 - 6813 SYS 2271 TIP3 H2 A 0.417000 1.0079 - 6814 SYS 2272 TIP3 O1 C -0.834000 15.9994 - 6815 SYS 2272 TIP3 H1 A 0.417000 1.0079 - 6816 SYS 2272 TIP3 H2 A 0.417000 1.0079 - 6817 SYS 2273 TIP3 O1 C -0.834000 15.9994 - 6818 SYS 2273 TIP3 H1 A 0.417000 1.0079 - 6819 SYS 2273 TIP3 H2 A 0.417000 1.0079 - 6820 SYS 2274 TIP3 O1 C -0.834000 15.9994 - 6821 SYS 2274 TIP3 H1 A 0.417000 1.0079 - 6822 SYS 2274 TIP3 H2 A 0.417000 1.0079 - 6823 SYS 2275 TIP3 O1 C -0.834000 15.9994 - 6824 SYS 2275 TIP3 H1 A 0.417000 1.0079 - 6825 SYS 2275 TIP3 H2 A 0.417000 1.0079 - 6826 SYS 2276 TIP3 O1 C -0.834000 15.9994 - 6827 SYS 2276 TIP3 H1 A 0.417000 1.0079 - 6828 SYS 2276 TIP3 H2 A 0.417000 1.0079 - 6829 SYS 2277 TIP3 O1 C -0.834000 15.9994 - 6830 SYS 2277 TIP3 H1 A 0.417000 1.0079 - 6831 SYS 2277 TIP3 H2 A 0.417000 1.0079 - 6832 SYS 2278 TIP3 O1 C -0.834000 15.9994 - 6833 SYS 2278 TIP3 H1 A 0.417000 1.0079 - 6834 SYS 2278 TIP3 H2 A 0.417000 1.0079 - 6835 SYS 2279 TIP3 O1 C -0.834000 15.9994 - 6836 SYS 2279 TIP3 H1 A 0.417000 1.0079 - 6837 SYS 2279 TIP3 H2 A 0.417000 1.0079 - 6838 SYS 2280 TIP3 O1 C -0.834000 15.9994 - 6839 SYS 2280 TIP3 H1 A 0.417000 1.0079 - 6840 SYS 2280 TIP3 H2 A 0.417000 1.0079 - 6841 SYS 2281 TIP3 O1 C -0.834000 15.9994 - 6842 SYS 2281 TIP3 H1 A 0.417000 1.0079 - 6843 SYS 2281 TIP3 H2 A 0.417000 1.0079 - 6844 SYS 2282 TIP3 O1 C -0.834000 15.9994 - 6845 SYS 2282 TIP3 H1 A 0.417000 1.0079 - 6846 SYS 2282 TIP3 H2 A 0.417000 1.0079 - 6847 SYS 2283 TIP3 O1 C -0.834000 15.9994 - 6848 SYS 2283 TIP3 H1 A 0.417000 1.0079 - 6849 SYS 2283 TIP3 H2 A 0.417000 1.0079 - 6850 SYS 2284 TIP3 O1 C -0.834000 15.9994 - 6851 SYS 2284 TIP3 H1 A 0.417000 1.0079 - 6852 SYS 2284 TIP3 H2 A 0.417000 1.0079 - 6853 SYS 2285 TIP3 O1 C -0.834000 15.9994 - 6854 SYS 2285 TIP3 H1 A 0.417000 1.0079 - 6855 SYS 2285 TIP3 H2 A 0.417000 1.0079 - 6856 SYS 2286 TIP3 O1 C -0.834000 15.9994 - 6857 SYS 2286 TIP3 H1 A 0.417000 1.0079 - 6858 SYS 2286 TIP3 H2 A 0.417000 1.0079 - 6859 SYS 2287 TIP3 O1 C -0.834000 15.9994 - 6860 SYS 2287 TIP3 H1 A 0.417000 1.0079 - 6861 SYS 2287 TIP3 H2 A 0.417000 1.0079 - 6862 SYS 2288 TIP3 O1 C -0.834000 15.9994 - 6863 SYS 2288 TIP3 H1 A 0.417000 1.0079 - 6864 SYS 2288 TIP3 H2 A 0.417000 1.0079 - 6865 SYS 2289 TIP3 O1 C -0.834000 15.9994 - 6866 SYS 2289 TIP3 H1 A 0.417000 1.0079 - 6867 SYS 2289 TIP3 H2 A 0.417000 1.0079 - 6868 SYS 2290 TIP3 O1 C -0.834000 15.9994 - 6869 SYS 2290 TIP3 H1 A 0.417000 1.0079 - 6870 SYS 2290 TIP3 H2 A 0.417000 1.0079 - 6871 SYS 2291 TIP3 O1 C -0.834000 15.9994 - 6872 SYS 2291 TIP3 H1 A 0.417000 1.0079 - 6873 SYS 2291 TIP3 H2 A 0.417000 1.0079 - 6874 SYS 2292 TIP3 O1 C -0.834000 15.9994 - 6875 SYS 2292 TIP3 H1 A 0.417000 1.0079 - 6876 SYS 2292 TIP3 H2 A 0.417000 1.0079 - 6877 SYS 2293 TIP3 O1 C -0.834000 15.9994 - 6878 SYS 2293 TIP3 H1 A 0.417000 1.0079 - 6879 SYS 2293 TIP3 H2 A 0.417000 1.0079 - 6880 SYS 2294 TIP3 O1 C -0.834000 15.9994 - 6881 SYS 2294 TIP3 H1 A 0.417000 1.0079 - 6882 SYS 2294 TIP3 H2 A 0.417000 1.0079 - 6883 SYS 2295 TIP3 O1 C -0.834000 15.9994 - 6884 SYS 2295 TIP3 H1 A 0.417000 1.0079 - 6885 SYS 2295 TIP3 H2 A 0.417000 1.0079 - 6886 SYS 2296 TIP3 O1 C -0.834000 15.9994 - 6887 SYS 2296 TIP3 H1 A 0.417000 1.0079 - 6888 SYS 2296 TIP3 H2 A 0.417000 1.0079 - 6889 SYS 2297 TIP3 O1 C -0.834000 15.9994 - 6890 SYS 2297 TIP3 H1 A 0.417000 1.0079 - 6891 SYS 2297 TIP3 H2 A 0.417000 1.0079 - 6892 SYS 2298 TIP3 O1 C -0.834000 15.9994 - 6893 SYS 2298 TIP3 H1 A 0.417000 1.0079 - 6894 SYS 2298 TIP3 H2 A 0.417000 1.0079 - 6895 SYS 2299 TIP3 O1 C -0.834000 15.9994 - 6896 SYS 2299 TIP3 H1 A 0.417000 1.0079 - 6897 SYS 2299 TIP3 H2 A 0.417000 1.0079 - 6898 SYS 2300 TIP3 O1 C -0.834000 15.9994 - 6899 SYS 2300 TIP3 H1 A 0.417000 1.0079 - 6900 SYS 2300 TIP3 H2 A 0.417000 1.0079 - 6901 SYS 2301 TIP3 O1 C -0.834000 15.9994 - 6902 SYS 2301 TIP3 H1 A 0.417000 1.0079 - 6903 SYS 2301 TIP3 H2 A 0.417000 1.0079 - 6904 SYS 2302 TIP3 O1 C -0.834000 15.9994 - 6905 SYS 2302 TIP3 H1 A 0.417000 1.0079 - 6906 SYS 2302 TIP3 H2 A 0.417000 1.0079 - 6907 SYS 2303 TIP3 O1 C -0.834000 15.9994 - 6908 SYS 2303 TIP3 H1 A 0.417000 1.0079 - 6909 SYS 2303 TIP3 H2 A 0.417000 1.0079 - 6910 SYS 2304 TIP3 O1 C -0.834000 15.9994 - 6911 SYS 2304 TIP3 H1 A 0.417000 1.0079 - 6912 SYS 2304 TIP3 H2 A 0.417000 1.0079 - 6913 SYS 2305 TIP3 O1 C -0.834000 15.9994 - 6914 SYS 2305 TIP3 H1 A 0.417000 1.0079 - 6915 SYS 2305 TIP3 H2 A 0.417000 1.0079 - 6916 SYS 2306 TIP3 O1 C -0.834000 15.9994 - 6917 SYS 2306 TIP3 H1 A 0.417000 1.0079 - 6918 SYS 2306 TIP3 H2 A 0.417000 1.0079 - 6919 SYS 2307 TIP3 O1 C -0.834000 15.9994 - 6920 SYS 2307 TIP3 H1 A 0.417000 1.0079 - 6921 SYS 2307 TIP3 H2 A 0.417000 1.0079 - 6922 SYS 2308 TIP3 O1 C -0.834000 15.9994 - 6923 SYS 2308 TIP3 H1 A 0.417000 1.0079 - 6924 SYS 2308 TIP3 H2 A 0.417000 1.0079 - 6925 SYS 2309 TIP3 O1 C -0.834000 15.9994 - 6926 SYS 2309 TIP3 H1 A 0.417000 1.0079 - 6927 SYS 2309 TIP3 H2 A 0.417000 1.0079 - 6928 SYS 2310 TIP3 O1 C -0.834000 15.9994 - 6929 SYS 2310 TIP3 H1 A 0.417000 1.0079 - 6930 SYS 2310 TIP3 H2 A 0.417000 1.0079 - 6931 SYS 2311 TIP3 O1 C -0.834000 15.9994 - 6932 SYS 2311 TIP3 H1 A 0.417000 1.0079 - 6933 SYS 2311 TIP3 H2 A 0.417000 1.0079 - 6934 SYS 2312 TIP3 O1 C -0.834000 15.9994 - 6935 SYS 2312 TIP3 H1 A 0.417000 1.0079 - 6936 SYS 2312 TIP3 H2 A 0.417000 1.0079 - 6937 SYS 2313 TIP3 O1 C -0.834000 15.9994 - 6938 SYS 2313 TIP3 H1 A 0.417000 1.0079 - 6939 SYS 2313 TIP3 H2 A 0.417000 1.0079 - 6940 SYS 2314 TIP3 O1 C -0.834000 15.9994 - 6941 SYS 2314 TIP3 H1 A 0.417000 1.0079 - 6942 SYS 2314 TIP3 H2 A 0.417000 1.0079 - 6943 SYS 2315 TIP3 O1 C -0.834000 15.9994 - 6944 SYS 2315 TIP3 H1 A 0.417000 1.0079 - 6945 SYS 2315 TIP3 H2 A 0.417000 1.0079 - 6946 SYS 2316 TIP3 O1 C -0.834000 15.9994 - 6947 SYS 2316 TIP3 H1 A 0.417000 1.0079 - 6948 SYS 2316 TIP3 H2 A 0.417000 1.0079 - 6949 SYS 2317 TIP3 O1 C -0.834000 15.9994 - 6950 SYS 2317 TIP3 H1 A 0.417000 1.0079 - 6951 SYS 2317 TIP3 H2 A 0.417000 1.0079 - 6952 SYS 2318 TIP3 O1 C -0.834000 15.9994 - 6953 SYS 2318 TIP3 H1 A 0.417000 1.0079 - 6954 SYS 2318 TIP3 H2 A 0.417000 1.0079 - 6955 SYS 2319 TIP3 O1 C -0.834000 15.9994 - 6956 SYS 2319 TIP3 H1 A 0.417000 1.0079 - 6957 SYS 2319 TIP3 H2 A 0.417000 1.0079 - 6958 SYS 2320 TIP3 O1 C -0.834000 15.9994 - 6959 SYS 2320 TIP3 H1 A 0.417000 1.0079 - 6960 SYS 2320 TIP3 H2 A 0.417000 1.0079 - 6961 SYS 2321 TIP3 O1 C -0.834000 15.9994 - 6962 SYS 2321 TIP3 H1 A 0.417000 1.0079 - 6963 SYS 2321 TIP3 H2 A 0.417000 1.0079 - 6964 SYS 2322 TIP3 O1 C -0.834000 15.9994 - 6965 SYS 2322 TIP3 H1 A 0.417000 1.0079 - 6966 SYS 2322 TIP3 H2 A 0.417000 1.0079 - 6967 SYS 2323 TIP3 O1 C -0.834000 15.9994 - 6968 SYS 2323 TIP3 H1 A 0.417000 1.0079 - 6969 SYS 2323 TIP3 H2 A 0.417000 1.0079 - 6970 SYS 2324 TIP3 O1 C -0.834000 15.9994 - 6971 SYS 2324 TIP3 H1 A 0.417000 1.0079 - 6972 SYS 2324 TIP3 H2 A 0.417000 1.0079 - 6973 SYS 2325 TIP3 O1 C -0.834000 15.9994 - 6974 SYS 2325 TIP3 H1 A 0.417000 1.0079 - 6975 SYS 2325 TIP3 H2 A 0.417000 1.0079 - 6976 SYS 2326 TIP3 O1 C -0.834000 15.9994 - 6977 SYS 2326 TIP3 H1 A 0.417000 1.0079 - 6978 SYS 2326 TIP3 H2 A 0.417000 1.0079 - 6979 SYS 2327 TIP3 O1 C -0.834000 15.9994 - 6980 SYS 2327 TIP3 H1 A 0.417000 1.0079 - 6981 SYS 2327 TIP3 H2 A 0.417000 1.0079 - 6982 SYS 2328 TIP3 O1 C -0.834000 15.9994 - 6983 SYS 2328 TIP3 H1 A 0.417000 1.0079 - 6984 SYS 2328 TIP3 H2 A 0.417000 1.0079 - 6985 SYS 2329 TIP3 O1 C -0.834000 15.9994 - 6986 SYS 2329 TIP3 H1 A 0.417000 1.0079 - 6987 SYS 2329 TIP3 H2 A 0.417000 1.0079 - 6988 SYS 2330 TIP3 O1 C -0.834000 15.9994 - 6989 SYS 2330 TIP3 H1 A 0.417000 1.0079 - 6990 SYS 2330 TIP3 H2 A 0.417000 1.0079 - 6991 SYS 2331 TIP3 O1 C -0.834000 15.9994 - 6992 SYS 2331 TIP3 H1 A 0.417000 1.0079 - 6993 SYS 2331 TIP3 H2 A 0.417000 1.0079 - 6994 SYS 2332 TIP3 O1 C -0.834000 15.9994 - 6995 SYS 2332 TIP3 H1 A 0.417000 1.0079 - 6996 SYS 2332 TIP3 H2 A 0.417000 1.0079 - 6997 SYS 2333 TIP3 O1 C -0.834000 15.9994 - 6998 SYS 2333 TIP3 H1 A 0.417000 1.0079 - 6999 SYS 2333 TIP3 H2 A 0.417000 1.0079 - 7000 SYS 2334 TIP3 O1 C -0.834000 15.9994 - 7001 SYS 2334 TIP3 H1 A 0.417000 1.0079 - 7002 SYS 2334 TIP3 H2 A 0.417000 1.0079 - 7003 SYS 2335 TIP3 O1 C -0.834000 15.9994 - 7004 SYS 2335 TIP3 H1 A 0.417000 1.0079 - 7005 SYS 2335 TIP3 H2 A 0.417000 1.0079 - 7006 SYS 2336 TIP3 O1 C -0.834000 15.9994 - 7007 SYS 2336 TIP3 H1 A 0.417000 1.0079 - 7008 SYS 2336 TIP3 H2 A 0.417000 1.0079 - 7009 SYS 2337 TIP3 O1 C -0.834000 15.9994 - 7010 SYS 2337 TIP3 H1 A 0.417000 1.0079 - 7011 SYS 2337 TIP3 H2 A 0.417000 1.0079 - 7012 SYS 2338 TIP3 O1 C -0.834000 15.9994 - 7013 SYS 2338 TIP3 H1 A 0.417000 1.0079 - 7014 SYS 2338 TIP3 H2 A 0.417000 1.0079 - 7015 SYS 2339 TIP3 O1 C -0.834000 15.9994 - 7016 SYS 2339 TIP3 H1 A 0.417000 1.0079 - 7017 SYS 2339 TIP3 H2 A 0.417000 1.0079 - 7018 SYS 2340 TIP3 O1 C -0.834000 15.9994 - 7019 SYS 2340 TIP3 H1 A 0.417000 1.0079 - 7020 SYS 2340 TIP3 H2 A 0.417000 1.0079 - 7021 SYS 2341 TIP3 O1 C -0.834000 15.9994 - 7022 SYS 2341 TIP3 H1 A 0.417000 1.0079 - 7023 SYS 2341 TIP3 H2 A 0.417000 1.0079 - 7024 SYS 2342 TIP3 O1 C -0.834000 15.9994 - 7025 SYS 2342 TIP3 H1 A 0.417000 1.0079 - 7026 SYS 2342 TIP3 H2 A 0.417000 1.0079 - 7027 SYS 2343 TIP3 O1 C -0.834000 15.9994 - 7028 SYS 2343 TIP3 H1 A 0.417000 1.0079 - 7029 SYS 2343 TIP3 H2 A 0.417000 1.0079 - 7030 SYS 2344 TIP3 O1 C -0.834000 15.9994 - 7031 SYS 2344 TIP3 H1 A 0.417000 1.0079 - 7032 SYS 2344 TIP3 H2 A 0.417000 1.0079 - 7033 SYS 2345 TIP3 O1 C -0.834000 15.9994 - 7034 SYS 2345 TIP3 H1 A 0.417000 1.0079 - 7035 SYS 2345 TIP3 H2 A 0.417000 1.0079 - 7036 SYS 2346 TIP3 O1 C -0.834000 15.9994 - 7037 SYS 2346 TIP3 H1 A 0.417000 1.0079 - 7038 SYS 2346 TIP3 H2 A 0.417000 1.0079 - 7039 SYS 2347 TIP3 O1 C -0.834000 15.9994 - 7040 SYS 2347 TIP3 H1 A 0.417000 1.0079 - 7041 SYS 2347 TIP3 H2 A 0.417000 1.0079 - 7042 SYS 2348 TIP3 O1 C -0.834000 15.9994 - 7043 SYS 2348 TIP3 H1 A 0.417000 1.0079 - 7044 SYS 2348 TIP3 H2 A 0.417000 1.0079 - 7045 SYS 2349 TIP3 O1 C -0.834000 15.9994 - 7046 SYS 2349 TIP3 H1 A 0.417000 1.0079 - 7047 SYS 2349 TIP3 H2 A 0.417000 1.0079 - 7048 SYS 2350 TIP3 O1 C -0.834000 15.9994 - 7049 SYS 2350 TIP3 H1 A 0.417000 1.0079 - 7050 SYS 2350 TIP3 H2 A 0.417000 1.0079 - 7051 SYS 2351 TIP3 O1 C -0.834000 15.9994 - 7052 SYS 2351 TIP3 H1 A 0.417000 1.0079 - 7053 SYS 2351 TIP3 H2 A 0.417000 1.0079 - 7054 SYS 2352 TIP3 O1 C -0.834000 15.9994 - 7055 SYS 2352 TIP3 H1 A 0.417000 1.0079 - 7056 SYS 2352 TIP3 H2 A 0.417000 1.0079 - 7057 SYS 2353 TIP3 O1 C -0.834000 15.9994 - 7058 SYS 2353 TIP3 H1 A 0.417000 1.0079 - 7059 SYS 2353 TIP3 H2 A 0.417000 1.0079 - 7060 SYS 2354 TIP3 O1 C -0.834000 15.9994 - 7061 SYS 2354 TIP3 H1 A 0.417000 1.0079 - 7062 SYS 2354 TIP3 H2 A 0.417000 1.0079 - 7063 SYS 2355 TIP3 O1 C -0.834000 15.9994 - 7064 SYS 2355 TIP3 H1 A 0.417000 1.0079 - 7065 SYS 2355 TIP3 H2 A 0.417000 1.0079 - 7066 SYS 2356 TIP3 O1 C -0.834000 15.9994 - 7067 SYS 2356 TIP3 H1 A 0.417000 1.0079 - 7068 SYS 2356 TIP3 H2 A 0.417000 1.0079 - 7069 SYS 2357 TIP3 O1 C -0.834000 15.9994 - 7070 SYS 2357 TIP3 H1 A 0.417000 1.0079 - 7071 SYS 2357 TIP3 H2 A 0.417000 1.0079 - 7072 SYS 2358 TIP3 O1 C -0.834000 15.9994 - 7073 SYS 2358 TIP3 H1 A 0.417000 1.0079 - 7074 SYS 2358 TIP3 H2 A 0.417000 1.0079 - 7075 SYS 2359 TIP3 O1 C -0.834000 15.9994 - 7076 SYS 2359 TIP3 H1 A 0.417000 1.0079 - 7077 SYS 2359 TIP3 H2 A 0.417000 1.0079 - 7078 SYS 2360 TIP3 O1 C -0.834000 15.9994 - 7079 SYS 2360 TIP3 H1 A 0.417000 1.0079 - 7080 SYS 2360 TIP3 H2 A 0.417000 1.0079 - 7081 SYS 2361 TIP3 O1 C -0.834000 15.9994 - 7082 SYS 2361 TIP3 H1 A 0.417000 1.0079 - 7083 SYS 2361 TIP3 H2 A 0.417000 1.0079 - 7084 SYS 2362 TIP3 O1 C -0.834000 15.9994 - 7085 SYS 2362 TIP3 H1 A 0.417000 1.0079 - 7086 SYS 2362 TIP3 H2 A 0.417000 1.0079 - 7087 SYS 2363 TIP3 O1 C -0.834000 15.9994 - 7088 SYS 2363 TIP3 H1 A 0.417000 1.0079 - 7089 SYS 2363 TIP3 H2 A 0.417000 1.0079 - 7090 SYS 2364 TIP3 O1 C -0.834000 15.9994 - 7091 SYS 2364 TIP3 H1 A 0.417000 1.0079 - 7092 SYS 2364 TIP3 H2 A 0.417000 1.0079 - 7093 SYS 2365 TIP3 O1 C -0.834000 15.9994 - 7094 SYS 2365 TIP3 H1 A 0.417000 1.0079 - 7095 SYS 2365 TIP3 H2 A 0.417000 1.0079 - 7096 SYS 2366 TIP3 O1 C -0.834000 15.9994 - 7097 SYS 2366 TIP3 H1 A 0.417000 1.0079 - 7098 SYS 2366 TIP3 H2 A 0.417000 1.0079 - 7099 SYS 2367 TIP3 O1 C -0.834000 15.9994 - 7100 SYS 2367 TIP3 H1 A 0.417000 1.0079 - 7101 SYS 2367 TIP3 H2 A 0.417000 1.0079 - 7102 SYS 2368 TIP3 O1 C -0.834000 15.9994 - 7103 SYS 2368 TIP3 H1 A 0.417000 1.0079 - 7104 SYS 2368 TIP3 H2 A 0.417000 1.0079 - 7105 SYS 2369 TIP3 O1 C -0.834000 15.9994 - 7106 SYS 2369 TIP3 H1 A 0.417000 1.0079 - 7107 SYS 2369 TIP3 H2 A 0.417000 1.0079 - 7108 SYS 2370 TIP3 O1 C -0.834000 15.9994 - 7109 SYS 2370 TIP3 H1 A 0.417000 1.0079 - 7110 SYS 2370 TIP3 H2 A 0.417000 1.0079 - 7111 SYS 2371 TIP3 O1 C -0.834000 15.9994 - 7112 SYS 2371 TIP3 H1 A 0.417000 1.0079 - 7113 SYS 2371 TIP3 H2 A 0.417000 1.0079 - 7114 SYS 2372 TIP3 O1 C -0.834000 15.9994 - 7115 SYS 2372 TIP3 H1 A 0.417000 1.0079 - 7116 SYS 2372 TIP3 H2 A 0.417000 1.0079 - 7117 SYS 2373 TIP3 O1 C -0.834000 15.9994 - 7118 SYS 2373 TIP3 H1 A 0.417000 1.0079 - 7119 SYS 2373 TIP3 H2 A 0.417000 1.0079 - 7120 SYS 2374 TIP3 O1 C -0.834000 15.9994 - 7121 SYS 2374 TIP3 H1 A 0.417000 1.0079 - 7122 SYS 2374 TIP3 H2 A 0.417000 1.0079 - 7123 SYS 2375 TIP3 O1 C -0.834000 15.9994 - 7124 SYS 2375 TIP3 H1 A 0.417000 1.0079 - 7125 SYS 2375 TIP3 H2 A 0.417000 1.0079 - 7126 SYS 2376 TIP3 O1 C -0.834000 15.9994 - 7127 SYS 2376 TIP3 H1 A 0.417000 1.0079 - 7128 SYS 2376 TIP3 H2 A 0.417000 1.0079 - 7129 SYS 2377 TIP3 O1 C -0.834000 15.9994 - 7130 SYS 2377 TIP3 H1 A 0.417000 1.0079 - 7131 SYS 2377 TIP3 H2 A 0.417000 1.0079 - 7132 SYS 2378 TIP3 O1 C -0.834000 15.9994 - 7133 SYS 2378 TIP3 H1 A 0.417000 1.0079 - 7134 SYS 2378 TIP3 H2 A 0.417000 1.0079 - 7135 SYS 2379 TIP3 O1 C -0.834000 15.9994 - 7136 SYS 2379 TIP3 H1 A 0.417000 1.0079 - 7137 SYS 2379 TIP3 H2 A 0.417000 1.0079 - 7138 SYS 2380 TIP3 O1 C -0.834000 15.9994 - 7139 SYS 2380 TIP3 H1 A 0.417000 1.0079 - 7140 SYS 2380 TIP3 H2 A 0.417000 1.0079 - 7141 SYS 2381 TIP3 O1 C -0.834000 15.9994 - 7142 SYS 2381 TIP3 H1 A 0.417000 1.0079 - 7143 SYS 2381 TIP3 H2 A 0.417000 1.0079 - 7144 SYS 2382 TIP3 O1 C -0.834000 15.9994 - 7145 SYS 2382 TIP3 H1 A 0.417000 1.0079 - 7146 SYS 2382 TIP3 H2 A 0.417000 1.0079 - 7147 SYS 2383 TIP3 O1 C -0.834000 15.9994 - 7148 SYS 2383 TIP3 H1 A 0.417000 1.0079 - 7149 SYS 2383 TIP3 H2 A 0.417000 1.0079 - 7150 SYS 2384 TIP3 O1 C -0.834000 15.9994 - 7151 SYS 2384 TIP3 H1 A 0.417000 1.0079 - 7152 SYS 2384 TIP3 H2 A 0.417000 1.0079 - 7153 SYS 2385 TIP3 O1 C -0.834000 15.9994 - 7154 SYS 2385 TIP3 H1 A 0.417000 1.0079 - 7155 SYS 2385 TIP3 H2 A 0.417000 1.0079 - 7156 SYS 2386 TIP3 O1 C -0.834000 15.9994 - 7157 SYS 2386 TIP3 H1 A 0.417000 1.0079 - 7158 SYS 2386 TIP3 H2 A 0.417000 1.0079 - 7159 SYS 2387 TIP3 O1 C -0.834000 15.9994 - 7160 SYS 2387 TIP3 H1 A 0.417000 1.0079 - 7161 SYS 2387 TIP3 H2 A 0.417000 1.0079 - 7162 SYS 2388 TIP3 O1 C -0.834000 15.9994 - 7163 SYS 2388 TIP3 H1 A 0.417000 1.0079 - 7164 SYS 2388 TIP3 H2 A 0.417000 1.0079 - 7165 SYS 2389 TIP3 O1 C -0.834000 15.9994 - 7166 SYS 2389 TIP3 H1 A 0.417000 1.0079 - 7167 SYS 2389 TIP3 H2 A 0.417000 1.0079 - 7168 SYS 2390 TIP3 O1 C -0.834000 15.9994 - 7169 SYS 2390 TIP3 H1 A 0.417000 1.0079 - 7170 SYS 2390 TIP3 H2 A 0.417000 1.0079 - 7171 SYS 2391 TIP3 O1 C -0.834000 15.9994 - 7172 SYS 2391 TIP3 H1 A 0.417000 1.0079 - 7173 SYS 2391 TIP3 H2 A 0.417000 1.0079 - 7174 SYS 2392 TIP3 O1 C -0.834000 15.9994 - 7175 SYS 2392 TIP3 H1 A 0.417000 1.0079 - 7176 SYS 2392 TIP3 H2 A 0.417000 1.0079 - 7177 SYS 2393 TIP3 O1 C -0.834000 15.9994 - 7178 SYS 2393 TIP3 H1 A 0.417000 1.0079 - 7179 SYS 2393 TIP3 H2 A 0.417000 1.0079 - 7180 SYS 2394 TIP3 O1 C -0.834000 15.9994 - 7181 SYS 2394 TIP3 H1 A 0.417000 1.0079 - 7182 SYS 2394 TIP3 H2 A 0.417000 1.0079 - 7183 SYS 2395 TIP3 O1 C -0.834000 15.9994 - 7184 SYS 2395 TIP3 H1 A 0.417000 1.0079 - 7185 SYS 2395 TIP3 H2 A 0.417000 1.0079 - 7186 SYS 2396 TIP3 O1 C -0.834000 15.9994 - 7187 SYS 2396 TIP3 H1 A 0.417000 1.0079 - 7188 SYS 2396 TIP3 H2 A 0.417000 1.0079 - 7189 SYS 2397 TIP3 O1 C -0.834000 15.9994 - 7190 SYS 2397 TIP3 H1 A 0.417000 1.0079 - 7191 SYS 2397 TIP3 H2 A 0.417000 1.0079 - 7192 SYS 2398 TIP3 O1 C -0.834000 15.9994 - 7193 SYS 2398 TIP3 H1 A 0.417000 1.0079 - 7194 SYS 2398 TIP3 H2 A 0.417000 1.0079 - 7195 SYS 2399 TIP3 O1 C -0.834000 15.9994 - 7196 SYS 2399 TIP3 H1 A 0.417000 1.0079 - 7197 SYS 2399 TIP3 H2 A 0.417000 1.0079 - 7198 SYS 2400 TIP3 O1 C -0.834000 15.9994 - 7199 SYS 2400 TIP3 H1 A 0.417000 1.0079 - 7200 SYS 2400 TIP3 H2 A 0.417000 1.0079 - 7201 SYS 2401 TIP3 O1 C -0.834000 15.9994 - 7202 SYS 2401 TIP3 H1 A 0.417000 1.0079 - 7203 SYS 2401 TIP3 H2 A 0.417000 1.0079 - 7204 SYS 2402 TIP3 O1 C -0.834000 15.9994 - 7205 SYS 2402 TIP3 H1 A 0.417000 1.0079 - 7206 SYS 2402 TIP3 H2 A 0.417000 1.0079 - 7207 SYS 2403 TIP3 O1 C -0.834000 15.9994 - 7208 SYS 2403 TIP3 H1 A 0.417000 1.0079 - 7209 SYS 2403 TIP3 H2 A 0.417000 1.0079 - 7210 SYS 2404 TIP3 O1 C -0.834000 15.9994 - 7211 SYS 2404 TIP3 H1 A 0.417000 1.0079 - 7212 SYS 2404 TIP3 H2 A 0.417000 1.0079 - 7213 SYS 2405 TIP3 O1 C -0.834000 15.9994 - 7214 SYS 2405 TIP3 H1 A 0.417000 1.0079 - 7215 SYS 2405 TIP3 H2 A 0.417000 1.0079 - 7216 SYS 2406 TIP3 O1 C -0.834000 15.9994 - 7217 SYS 2406 TIP3 H1 A 0.417000 1.0079 - 7218 SYS 2406 TIP3 H2 A 0.417000 1.0079 - 7219 SYS 2407 TIP3 O1 C -0.834000 15.9994 - 7220 SYS 2407 TIP3 H1 A 0.417000 1.0079 - 7221 SYS 2407 TIP3 H2 A 0.417000 1.0079 - 7222 SYS 2408 TIP3 O1 C -0.834000 15.9994 - 7223 SYS 2408 TIP3 H1 A 0.417000 1.0079 - 7224 SYS 2408 TIP3 H2 A 0.417000 1.0079 - 7225 SYS 2409 TIP3 O1 C -0.834000 15.9994 - 7226 SYS 2409 TIP3 H1 A 0.417000 1.0079 - 7227 SYS 2409 TIP3 H2 A 0.417000 1.0079 - 7228 SYS 2410 TIP3 O1 C -0.834000 15.9994 - 7229 SYS 2410 TIP3 H1 A 0.417000 1.0079 - 7230 SYS 2410 TIP3 H2 A 0.417000 1.0079 - 7231 SYS 2411 TIP3 O1 C -0.834000 15.9994 - 7232 SYS 2411 TIP3 H1 A 0.417000 1.0079 - 7233 SYS 2411 TIP3 H2 A 0.417000 1.0079 - 7234 SYS 2412 TIP3 O1 C -0.834000 15.9994 - 7235 SYS 2412 TIP3 H1 A 0.417000 1.0079 - 7236 SYS 2412 TIP3 H2 A 0.417000 1.0079 - 7237 SYS 2413 TIP3 O1 C -0.834000 15.9994 - 7238 SYS 2413 TIP3 H1 A 0.417000 1.0079 - 7239 SYS 2413 TIP3 H2 A 0.417000 1.0079 - 7240 SYS 2414 TIP3 O1 C -0.834000 15.9994 - 7241 SYS 2414 TIP3 H1 A 0.417000 1.0079 - 7242 SYS 2414 TIP3 H2 A 0.417000 1.0079 - 7243 SYS 2415 TIP3 O1 C -0.834000 15.9994 - 7244 SYS 2415 TIP3 H1 A 0.417000 1.0079 - 7245 SYS 2415 TIP3 H2 A 0.417000 1.0079 - 7246 SYS 2416 TIP3 O1 C -0.834000 15.9994 - 7247 SYS 2416 TIP3 H1 A 0.417000 1.0079 - 7248 SYS 2416 TIP3 H2 A 0.417000 1.0079 - 7249 SYS 2417 TIP3 O1 C -0.834000 15.9994 - 7250 SYS 2417 TIP3 H1 A 0.417000 1.0079 - 7251 SYS 2417 TIP3 H2 A 0.417000 1.0079 - 7252 SYS 2418 TIP3 O1 C -0.834000 15.9994 - 7253 SYS 2418 TIP3 H1 A 0.417000 1.0079 - 7254 SYS 2418 TIP3 H2 A 0.417000 1.0079 - 7255 SYS 2419 TIP3 O1 C -0.834000 15.9994 - 7256 SYS 2419 TIP3 H1 A 0.417000 1.0079 - 7257 SYS 2419 TIP3 H2 A 0.417000 1.0079 - 7258 SYS 2420 TIP3 O1 C -0.834000 15.9994 - 7259 SYS 2420 TIP3 H1 A 0.417000 1.0079 - 7260 SYS 2420 TIP3 H2 A 0.417000 1.0079 - 7261 SYS 2421 TIP3 O1 C -0.834000 15.9994 - 7262 SYS 2421 TIP3 H1 A 0.417000 1.0079 - 7263 SYS 2421 TIP3 H2 A 0.417000 1.0079 - 7264 SYS 2422 TIP3 O1 C -0.834000 15.9994 - 7265 SYS 2422 TIP3 H1 A 0.417000 1.0079 - 7266 SYS 2422 TIP3 H2 A 0.417000 1.0079 - 7267 SYS 2423 TIP3 O1 C -0.834000 15.9994 - 7268 SYS 2423 TIP3 H1 A 0.417000 1.0079 - 7269 SYS 2423 TIP3 H2 A 0.417000 1.0079 - 7270 SYS 2424 TIP3 O1 C -0.834000 15.9994 - 7271 SYS 2424 TIP3 H1 A 0.417000 1.0079 - 7272 SYS 2424 TIP3 H2 A 0.417000 1.0079 - 7273 SYS 2425 TIP3 O1 C -0.834000 15.9994 - 7274 SYS 2425 TIP3 H1 A 0.417000 1.0079 - 7275 SYS 2425 TIP3 H2 A 0.417000 1.0079 - 7276 SYS 2426 TIP3 O1 C -0.834000 15.9994 - 7277 SYS 2426 TIP3 H1 A 0.417000 1.0079 - 7278 SYS 2426 TIP3 H2 A 0.417000 1.0079 - 7279 SYS 2427 TIP3 O1 C -0.834000 15.9994 - 7280 SYS 2427 TIP3 H1 A 0.417000 1.0079 - 7281 SYS 2427 TIP3 H2 A 0.417000 1.0079 - 7282 SYS 2428 TIP3 O1 C -0.834000 15.9994 - 7283 SYS 2428 TIP3 H1 A 0.417000 1.0079 - 7284 SYS 2428 TIP3 H2 A 0.417000 1.0079 - 7285 SYS 2429 TIP3 O1 C -0.834000 15.9994 - 7286 SYS 2429 TIP3 H1 A 0.417000 1.0079 - 7287 SYS 2429 TIP3 H2 A 0.417000 1.0079 - 7288 SYS 2430 TIP3 O1 C -0.834000 15.9994 - 7289 SYS 2430 TIP3 H1 A 0.417000 1.0079 - 7290 SYS 2430 TIP3 H2 A 0.417000 1.0079 - 7291 SYS 2431 TIP3 O1 C -0.834000 15.9994 - 7292 SYS 2431 TIP3 H1 A 0.417000 1.0079 - 7293 SYS 2431 TIP3 H2 A 0.417000 1.0079 - 7294 SYS 2432 TIP3 O1 C -0.834000 15.9994 - 7295 SYS 2432 TIP3 H1 A 0.417000 1.0079 - 7296 SYS 2432 TIP3 H2 A 0.417000 1.0079 - 7297 SYS 2433 TIP3 O1 C -0.834000 15.9994 - 7298 SYS 2433 TIP3 H1 A 0.417000 1.0079 - 7299 SYS 2433 TIP3 H2 A 0.417000 1.0079 - 7300 SYS 2434 TIP3 O1 C -0.834000 15.9994 - 7301 SYS 2434 TIP3 H1 A 0.417000 1.0079 - 7302 SYS 2434 TIP3 H2 A 0.417000 1.0079 - 7303 SYS 2435 TIP3 O1 C -0.834000 15.9994 - 7304 SYS 2435 TIP3 H1 A 0.417000 1.0079 - 7305 SYS 2435 TIP3 H2 A 0.417000 1.0079 - 7306 SYS 2436 TIP3 O1 C -0.834000 15.9994 - 7307 SYS 2436 TIP3 H1 A 0.417000 1.0079 - 7308 SYS 2436 TIP3 H2 A 0.417000 1.0079 - 7309 SYS 2437 TIP3 O1 C -0.834000 15.9994 - 7310 SYS 2437 TIP3 H1 A 0.417000 1.0079 - 7311 SYS 2437 TIP3 H2 A 0.417000 1.0079 - 7312 SYS 2438 TIP3 O1 C -0.834000 15.9994 - 7313 SYS 2438 TIP3 H1 A 0.417000 1.0079 - 7314 SYS 2438 TIP3 H2 A 0.417000 1.0079 - 7315 SYS 2439 TIP3 O1 C -0.834000 15.9994 - 7316 SYS 2439 TIP3 H1 A 0.417000 1.0079 - 7317 SYS 2439 TIP3 H2 A 0.417000 1.0079 - 7318 SYS 2440 TIP3 O1 C -0.834000 15.9994 - 7319 SYS 2440 TIP3 H1 A 0.417000 1.0079 - 7320 SYS 2440 TIP3 H2 A 0.417000 1.0079 - 7321 SYS 2441 TIP3 O1 C -0.834000 15.9994 - 7322 SYS 2441 TIP3 H1 A 0.417000 1.0079 - 7323 SYS 2441 TIP3 H2 A 0.417000 1.0079 - 7324 SYS 2442 TIP3 O1 C -0.834000 15.9994 - 7325 SYS 2442 TIP3 H1 A 0.417000 1.0079 - 7326 SYS 2442 TIP3 H2 A 0.417000 1.0079 - 7327 SYS 2443 TIP3 O1 C -0.834000 15.9994 - 7328 SYS 2443 TIP3 H1 A 0.417000 1.0079 - 7329 SYS 2443 TIP3 H2 A 0.417000 1.0079 - 7330 SYS 2444 TIP3 O1 C -0.834000 15.9994 - 7331 SYS 2444 TIP3 H1 A 0.417000 1.0079 - 7332 SYS 2444 TIP3 H2 A 0.417000 1.0079 - 7333 SYS 2445 TIP3 O1 C -0.834000 15.9994 - 7334 SYS 2445 TIP3 H1 A 0.417000 1.0079 - 7335 SYS 2445 TIP3 H2 A 0.417000 1.0079 - 7336 SYS 2446 TIP3 O1 C -0.834000 15.9994 - 7337 SYS 2446 TIP3 H1 A 0.417000 1.0079 - 7338 SYS 2446 TIP3 H2 A 0.417000 1.0079 - 7339 SYS 2447 TIP3 O1 C -0.834000 15.9994 - 7340 SYS 2447 TIP3 H1 A 0.417000 1.0079 - 7341 SYS 2447 TIP3 H2 A 0.417000 1.0079 - 7342 SYS 2448 TIP3 O1 C -0.834000 15.9994 - 7343 SYS 2448 TIP3 H1 A 0.417000 1.0079 - 7344 SYS 2448 TIP3 H2 A 0.417000 1.0079 - 7345 SYS 2449 TIP3 O1 C -0.834000 15.9994 - 7346 SYS 2449 TIP3 H1 A 0.417000 1.0079 - 7347 SYS 2449 TIP3 H2 A 0.417000 1.0079 - 7348 SYS 2450 TIP3 O1 C -0.834000 15.9994 - 7349 SYS 2450 TIP3 H1 A 0.417000 1.0079 - 7350 SYS 2450 TIP3 H2 A 0.417000 1.0079 - 7351 SYS 2451 TIP3 O1 C -0.834000 15.9994 - 7352 SYS 2451 TIP3 H1 A 0.417000 1.0079 - 7353 SYS 2451 TIP3 H2 A 0.417000 1.0079 - 7354 SYS 2452 TIP3 O1 C -0.834000 15.9994 - 7355 SYS 2452 TIP3 H1 A 0.417000 1.0079 - 7356 SYS 2452 TIP3 H2 A 0.417000 1.0079 - 7357 SYS 2453 TIP3 O1 C -0.834000 15.9994 - 7358 SYS 2453 TIP3 H1 A 0.417000 1.0079 - 7359 SYS 2453 TIP3 H2 A 0.417000 1.0079 - 7360 SYS 2454 TIP3 O1 C -0.834000 15.9994 - 7361 SYS 2454 TIP3 H1 A 0.417000 1.0079 - 7362 SYS 2454 TIP3 H2 A 0.417000 1.0079 - 7363 SYS 2455 TIP3 O1 C -0.834000 15.9994 - 7364 SYS 2455 TIP3 H1 A 0.417000 1.0079 - 7365 SYS 2455 TIP3 H2 A 0.417000 1.0079 - 7366 SYS 2456 TIP3 O1 C -0.834000 15.9994 - 7367 SYS 2456 TIP3 H1 A 0.417000 1.0079 - 7368 SYS 2456 TIP3 H2 A 0.417000 1.0079 - 7369 SYS 2457 TIP3 O1 C -0.834000 15.9994 - 7370 SYS 2457 TIP3 H1 A 0.417000 1.0079 - 7371 SYS 2457 TIP3 H2 A 0.417000 1.0079 - 7372 SYS 2458 TIP3 O1 C -0.834000 15.9994 - 7373 SYS 2458 TIP3 H1 A 0.417000 1.0079 - 7374 SYS 2458 TIP3 H2 A 0.417000 1.0079 - 7375 SYS 2459 TIP3 O1 C -0.834000 15.9994 - 7376 SYS 2459 TIP3 H1 A 0.417000 1.0079 - 7377 SYS 2459 TIP3 H2 A 0.417000 1.0079 - 7378 SYS 2460 TIP3 O1 C -0.834000 15.9994 - 7379 SYS 2460 TIP3 H1 A 0.417000 1.0079 - 7380 SYS 2460 TIP3 H2 A 0.417000 1.0079 - 7381 SYS 2461 TIP3 O1 C -0.834000 15.9994 - 7382 SYS 2461 TIP3 H1 A 0.417000 1.0079 - 7383 SYS 2461 TIP3 H2 A 0.417000 1.0079 - 7384 SYS 2462 TIP3 O1 C -0.834000 15.9994 - 7385 SYS 2462 TIP3 H1 A 0.417000 1.0079 - 7386 SYS 2462 TIP3 H2 A 0.417000 1.0079 - 7387 SYS 2463 TIP3 O1 C -0.834000 15.9994 - 7388 SYS 2463 TIP3 H1 A 0.417000 1.0079 - 7389 SYS 2463 TIP3 H2 A 0.417000 1.0079 - 7390 SYS 2464 TIP3 O1 C -0.834000 15.9994 - 7391 SYS 2464 TIP3 H1 A 0.417000 1.0079 - 7392 SYS 2464 TIP3 H2 A 0.417000 1.0079 - 7393 SYS 2465 TIP3 O1 C -0.834000 15.9994 - 7394 SYS 2465 TIP3 H1 A 0.417000 1.0079 - 7395 SYS 2465 TIP3 H2 A 0.417000 1.0079 - 7396 SYS 2466 TIP3 O1 C -0.834000 15.9994 - 7397 SYS 2466 TIP3 H1 A 0.417000 1.0079 - 7398 SYS 2466 TIP3 H2 A 0.417000 1.0079 - 7399 SYS 2467 TIP3 O1 C -0.834000 15.9994 - 7400 SYS 2467 TIP3 H1 A 0.417000 1.0079 - 7401 SYS 2467 TIP3 H2 A 0.417000 1.0079 - 7402 SYS 2468 TIP3 O1 C -0.834000 15.9994 - 7403 SYS 2468 TIP3 H1 A 0.417000 1.0079 - 7404 SYS 2468 TIP3 H2 A 0.417000 1.0079 - 7405 SYS 2469 TIP3 O1 C -0.834000 15.9994 - 7406 SYS 2469 TIP3 H1 A 0.417000 1.0079 - 7407 SYS 2469 TIP3 H2 A 0.417000 1.0079 - 7408 SYS 2470 TIP3 O1 C -0.834000 15.9994 - 7409 SYS 2470 TIP3 H1 A 0.417000 1.0079 - 7410 SYS 2470 TIP3 H2 A 0.417000 1.0079 - 7411 SYS 2471 TIP3 O1 C -0.834000 15.9994 - 7412 SYS 2471 TIP3 H1 A 0.417000 1.0079 - 7413 SYS 2471 TIP3 H2 A 0.417000 1.0079 - 7414 SYS 2472 TIP3 O1 C -0.834000 15.9994 - 7415 SYS 2472 TIP3 H1 A 0.417000 1.0079 - 7416 SYS 2472 TIP3 H2 A 0.417000 1.0079 - 7417 SYS 2473 TIP3 O1 C -0.834000 15.9994 - 7418 SYS 2473 TIP3 H1 A 0.417000 1.0079 - 7419 SYS 2473 TIP3 H2 A 0.417000 1.0079 - 7420 SYS 2474 TIP3 O1 C -0.834000 15.9994 - 7421 SYS 2474 TIP3 H1 A 0.417000 1.0079 - 7422 SYS 2474 TIP3 H2 A 0.417000 1.0079 - 7423 SYS 2475 TIP3 O1 C -0.834000 15.9994 - 7424 SYS 2475 TIP3 H1 A 0.417000 1.0079 - 7425 SYS 2475 TIP3 H2 A 0.417000 1.0079 - 7426 SYS 2476 TIP3 O1 C -0.834000 15.9994 - 7427 SYS 2476 TIP3 H1 A 0.417000 1.0079 - 7428 SYS 2476 TIP3 H2 A 0.417000 1.0079 - 7429 SYS 2477 TIP3 O1 C -0.834000 15.9994 - 7430 SYS 2477 TIP3 H1 A 0.417000 1.0079 - 7431 SYS 2477 TIP3 H2 A 0.417000 1.0079 - 7432 SYS 2478 TIP3 O1 C -0.834000 15.9994 - 7433 SYS 2478 TIP3 H1 A 0.417000 1.0079 - 7434 SYS 2478 TIP3 H2 A 0.417000 1.0079 - 7435 SYS 2479 TIP3 O1 C -0.834000 15.9994 - 7436 SYS 2479 TIP3 H1 A 0.417000 1.0079 - 7437 SYS 2479 TIP3 H2 A 0.417000 1.0079 - 7438 SYS 2480 TIP3 O1 C -0.834000 15.9994 - 7439 SYS 2480 TIP3 H1 A 0.417000 1.0079 - 7440 SYS 2480 TIP3 H2 A 0.417000 1.0079 - 7441 SYS 2481 TIP3 O1 C -0.834000 15.9994 - 7442 SYS 2481 TIP3 H1 A 0.417000 1.0079 - 7443 SYS 2481 TIP3 H2 A 0.417000 1.0079 - 7444 SYS 2482 TIP3 O1 C -0.834000 15.9994 - 7445 SYS 2482 TIP3 H1 A 0.417000 1.0079 - 7446 SYS 2482 TIP3 H2 A 0.417000 1.0079 - 7447 SYS 2483 TIP3 O1 C -0.834000 15.9994 - 7448 SYS 2483 TIP3 H1 A 0.417000 1.0079 - 7449 SYS 2483 TIP3 H2 A 0.417000 1.0079 - 7450 SYS 2484 TIP3 O1 C -0.834000 15.9994 - 7451 SYS 2484 TIP3 H1 A 0.417000 1.0079 - 7452 SYS 2484 TIP3 H2 A 0.417000 1.0079 - 7453 SYS 2485 TIP3 O1 C -0.834000 15.9994 - 7454 SYS 2485 TIP3 H1 A 0.417000 1.0079 - 7455 SYS 2485 TIP3 H2 A 0.417000 1.0079 - 7456 SYS 2486 TIP3 O1 C -0.834000 15.9994 - 7457 SYS 2486 TIP3 H1 A 0.417000 1.0079 - 7458 SYS 2486 TIP3 H2 A 0.417000 1.0079 - 7459 SYS 2487 TIP3 O1 C -0.834000 15.9994 - 7460 SYS 2487 TIP3 H1 A 0.417000 1.0079 - 7461 SYS 2487 TIP3 H2 A 0.417000 1.0079 - 7462 SYS 2488 TIP3 O1 C -0.834000 15.9994 - 7463 SYS 2488 TIP3 H1 A 0.417000 1.0079 - 7464 SYS 2488 TIP3 H2 A 0.417000 1.0079 - 7465 SYS 2489 TIP3 O1 C -0.834000 15.9994 - 7466 SYS 2489 TIP3 H1 A 0.417000 1.0079 - 7467 SYS 2489 TIP3 H2 A 0.417000 1.0079 - 7468 SYS 2490 TIP3 O1 C -0.834000 15.9994 - 7469 SYS 2490 TIP3 H1 A 0.417000 1.0079 - 7470 SYS 2490 TIP3 H2 A 0.417000 1.0079 - 7471 SYS 2491 TIP3 O1 C -0.834000 15.9994 - 7472 SYS 2491 TIP3 H1 A 0.417000 1.0079 - 7473 SYS 2491 TIP3 H2 A 0.417000 1.0079 - 7474 SYS 2492 TIP3 O1 C -0.834000 15.9994 - 7475 SYS 2492 TIP3 H1 A 0.417000 1.0079 - 7476 SYS 2492 TIP3 H2 A 0.417000 1.0079 - 7477 SYS 2493 TIP3 O1 C -0.834000 15.9994 - 7478 SYS 2493 TIP3 H1 A 0.417000 1.0079 - 7479 SYS 2493 TIP3 H2 A 0.417000 1.0079 - 7480 SYS 2494 TIP3 O1 C -0.834000 15.9994 - 7481 SYS 2494 TIP3 H1 A 0.417000 1.0079 - 7482 SYS 2494 TIP3 H2 A 0.417000 1.0079 - 7483 SYS 2495 TIP3 O1 C -0.834000 15.9994 - 7484 SYS 2495 TIP3 H1 A 0.417000 1.0079 - 7485 SYS 2495 TIP3 H2 A 0.417000 1.0079 - 7486 SYS 2496 TIP3 O1 C -0.834000 15.9994 - 7487 SYS 2496 TIP3 H1 A 0.417000 1.0079 - 7488 SYS 2496 TIP3 H2 A 0.417000 1.0079 - 7489 SYS 2497 TIP3 O1 C -0.834000 15.9994 - 7490 SYS 2497 TIP3 H1 A 0.417000 1.0079 - 7491 SYS 2497 TIP3 H2 A 0.417000 1.0079 - 7492 SYS 2498 TIP3 O1 C -0.834000 15.9994 - 7493 SYS 2498 TIP3 H1 A 0.417000 1.0079 - 7494 SYS 2498 TIP3 H2 A 0.417000 1.0079 - 7495 SYS 2499 TIP3 O1 C -0.834000 15.9994 - 7496 SYS 2499 TIP3 H1 A 0.417000 1.0079 - 7497 SYS 2499 TIP3 H2 A 0.417000 1.0079 - 7498 SYS 2500 TIP3 O1 C -0.834000 15.9994 - 7499 SYS 2500 TIP3 H1 A 0.417000 1.0079 - 7500 SYS 2500 TIP3 H2 A 0.417000 1.0079 - 7501 SYS 2501 TIP3 O1 C -0.834000 15.9994 - 7502 SYS 2501 TIP3 H1 A 0.417000 1.0079 - 7503 SYS 2501 TIP3 H2 A 0.417000 1.0079 - 7504 SYS 2502 TIP3 O1 C -0.834000 15.9994 - 7505 SYS 2502 TIP3 H1 A 0.417000 1.0079 - 7506 SYS 2502 TIP3 H2 A 0.417000 1.0079 - 7507 SYS 2503 TIP3 O1 C -0.834000 15.9994 - 7508 SYS 2503 TIP3 H1 A 0.417000 1.0079 - 7509 SYS 2503 TIP3 H2 A 0.417000 1.0079 - 7510 SYS 2504 TIP3 O1 C -0.834000 15.9994 - 7511 SYS 2504 TIP3 H1 A 0.417000 1.0079 - 7512 SYS 2504 TIP3 H2 A 0.417000 1.0079 - 7513 SYS 2505 TIP3 O1 C -0.834000 15.9994 - 7514 SYS 2505 TIP3 H1 A 0.417000 1.0079 - 7515 SYS 2505 TIP3 H2 A 0.417000 1.0079 - 7516 SYS 2506 TIP3 O1 C -0.834000 15.9994 - 7517 SYS 2506 TIP3 H1 A 0.417000 1.0079 - 7518 SYS 2506 TIP3 H2 A 0.417000 1.0079 - 7519 SYS 2507 TIP3 O1 C -0.834000 15.9994 - 7520 SYS 2507 TIP3 H1 A 0.417000 1.0079 - 7521 SYS 2507 TIP3 H2 A 0.417000 1.0079 - 7522 SYS 2508 TIP3 O1 C -0.834000 15.9994 - 7523 SYS 2508 TIP3 H1 A 0.417000 1.0079 - 7524 SYS 2508 TIP3 H2 A 0.417000 1.0079 - 7525 SYS 2509 TIP3 O1 C -0.834000 15.9994 - 7526 SYS 2509 TIP3 H1 A 0.417000 1.0079 - 7527 SYS 2509 TIP3 H2 A 0.417000 1.0079 - 7528 SYS 2510 TIP3 O1 C -0.834000 15.9994 - 7529 SYS 2510 TIP3 H1 A 0.417000 1.0079 - 7530 SYS 2510 TIP3 H2 A 0.417000 1.0079 - 7531 SYS 2511 TIP3 O1 C -0.834000 15.9994 - 7532 SYS 2511 TIP3 H1 A 0.417000 1.0079 - 7533 SYS 2511 TIP3 H2 A 0.417000 1.0079 - 7534 SYS 2512 TIP3 O1 C -0.834000 15.9994 - 7535 SYS 2512 TIP3 H1 A 0.417000 1.0079 - 7536 SYS 2512 TIP3 H2 A 0.417000 1.0079 - 7537 SYS 2513 TIP3 O1 C -0.834000 15.9994 - 7538 SYS 2513 TIP3 H1 A 0.417000 1.0079 - 7539 SYS 2513 TIP3 H2 A 0.417000 1.0079 - 7540 SYS 2514 TIP3 O1 C -0.834000 15.9994 - 7541 SYS 2514 TIP3 H1 A 0.417000 1.0079 - 7542 SYS 2514 TIP3 H2 A 0.417000 1.0079 - 7543 SYS 2515 TIP3 O1 C -0.834000 15.9994 - 7544 SYS 2515 TIP3 H1 A 0.417000 1.0079 - 7545 SYS 2515 TIP3 H2 A 0.417000 1.0079 - 7546 SYS 2516 TIP3 O1 C -0.834000 15.9994 - 7547 SYS 2516 TIP3 H1 A 0.417000 1.0079 - 7548 SYS 2516 TIP3 H2 A 0.417000 1.0079 - 7549 SYS 2517 TIP3 O1 C -0.834000 15.9994 - 7550 SYS 2517 TIP3 H1 A 0.417000 1.0079 - 7551 SYS 2517 TIP3 H2 A 0.417000 1.0079 - 7552 SYS 2518 TIP3 O1 C -0.834000 15.9994 - 7553 SYS 2518 TIP3 H1 A 0.417000 1.0079 - 7554 SYS 2518 TIP3 H2 A 0.417000 1.0079 - 7555 SYS 2519 TIP3 O1 C -0.834000 15.9994 - 7556 SYS 2519 TIP3 H1 A 0.417000 1.0079 - 7557 SYS 2519 TIP3 H2 A 0.417000 1.0079 - 7558 SYS 2520 TIP3 O1 C -0.834000 15.9994 - 7559 SYS 2520 TIP3 H1 A 0.417000 1.0079 - 7560 SYS 2520 TIP3 H2 A 0.417000 1.0079 - 7561 SYS 2521 TIP3 O1 C -0.834000 15.9994 - 7562 SYS 2521 TIP3 H1 A 0.417000 1.0079 - 7563 SYS 2521 TIP3 H2 A 0.417000 1.0079 - 7564 SYS 2522 TIP3 O1 C -0.834000 15.9994 - 7565 SYS 2522 TIP3 H1 A 0.417000 1.0079 - 7566 SYS 2522 TIP3 H2 A 0.417000 1.0079 - 7567 SYS 2523 TIP3 O1 C -0.834000 15.9994 - 7568 SYS 2523 TIP3 H1 A 0.417000 1.0079 - 7569 SYS 2523 TIP3 H2 A 0.417000 1.0079 - 7570 SYS 2524 TIP3 O1 C -0.834000 15.9994 - 7571 SYS 2524 TIP3 H1 A 0.417000 1.0079 - 7572 SYS 2524 TIP3 H2 A 0.417000 1.0079 - 7573 SYS 2525 TIP3 O1 C -0.834000 15.9994 - 7574 SYS 2525 TIP3 H1 A 0.417000 1.0079 - 7575 SYS 2525 TIP3 H2 A 0.417000 1.0079 - 7576 SYS 2526 TIP3 O1 C -0.834000 15.9994 - 7577 SYS 2526 TIP3 H1 A 0.417000 1.0079 - 7578 SYS 2526 TIP3 H2 A 0.417000 1.0079 - 7579 SYS 2527 TIP3 O1 C -0.834000 15.9994 - 7580 SYS 2527 TIP3 H1 A 0.417000 1.0079 - 7581 SYS 2527 TIP3 H2 A 0.417000 1.0079 - 7582 SYS 2528 TIP3 O1 C -0.834000 15.9994 - 7583 SYS 2528 TIP3 H1 A 0.417000 1.0079 - 7584 SYS 2528 TIP3 H2 A 0.417000 1.0079 - 7585 SYS 2529 TIP3 O1 C -0.834000 15.9994 - 7586 SYS 2529 TIP3 H1 A 0.417000 1.0079 - 7587 SYS 2529 TIP3 H2 A 0.417000 1.0079 - 7588 SYS 2530 TIP3 O1 C -0.834000 15.9994 - 7589 SYS 2530 TIP3 H1 A 0.417000 1.0079 - 7590 SYS 2530 TIP3 H2 A 0.417000 1.0079 - 7591 SYS 2531 TIP3 O1 C -0.834000 15.9994 - 7592 SYS 2531 TIP3 H1 A 0.417000 1.0079 - 7593 SYS 2531 TIP3 H2 A 0.417000 1.0079 - 7594 SYS 2532 TIP3 O1 C -0.834000 15.9994 - 7595 SYS 2532 TIP3 H1 A 0.417000 1.0079 - 7596 SYS 2532 TIP3 H2 A 0.417000 1.0079 - 7597 SYS 2533 TIP3 O1 C -0.834000 15.9994 - 7598 SYS 2533 TIP3 H1 A 0.417000 1.0079 - 7599 SYS 2533 TIP3 H2 A 0.417000 1.0079 - 7600 SYS 2534 TIP3 O1 C -0.834000 15.9994 - 7601 SYS 2534 TIP3 H1 A 0.417000 1.0079 - 7602 SYS 2534 TIP3 H2 A 0.417000 1.0079 - 7603 SYS 2535 TIP3 O1 C -0.834000 15.9994 - 7604 SYS 2535 TIP3 H1 A 0.417000 1.0079 - 7605 SYS 2535 TIP3 H2 A 0.417000 1.0079 - 7606 SYS 2536 TIP3 O1 C -0.834000 15.9994 - 7607 SYS 2536 TIP3 H1 A 0.417000 1.0079 - 7608 SYS 2536 TIP3 H2 A 0.417000 1.0079 - 7609 SYS 2537 TIP3 O1 C -0.834000 15.9994 - 7610 SYS 2537 TIP3 H1 A 0.417000 1.0079 - 7611 SYS 2537 TIP3 H2 A 0.417000 1.0079 - 7612 SYS 2538 TIP3 O1 C -0.834000 15.9994 - 7613 SYS 2538 TIP3 H1 A 0.417000 1.0079 - 7614 SYS 2538 TIP3 H2 A 0.417000 1.0079 - 7615 SYS 2539 TIP3 O1 C -0.834000 15.9994 - 7616 SYS 2539 TIP3 H1 A 0.417000 1.0079 - 7617 SYS 2539 TIP3 H2 A 0.417000 1.0079 - 7618 SYS 2540 TIP3 O1 C -0.834000 15.9994 - 7619 SYS 2540 TIP3 H1 A 0.417000 1.0079 - 7620 SYS 2540 TIP3 H2 A 0.417000 1.0079 - 7621 SYS 2541 TIP3 O1 C -0.834000 15.9994 - 7622 SYS 2541 TIP3 H1 A 0.417000 1.0079 - 7623 SYS 2541 TIP3 H2 A 0.417000 1.0079 - 7624 SYS 2542 TIP3 O1 C -0.834000 15.9994 - 7625 SYS 2542 TIP3 H1 A 0.417000 1.0079 - 7626 SYS 2542 TIP3 H2 A 0.417000 1.0079 - 7627 SYS 2543 TIP3 O1 C -0.834000 15.9994 - 7628 SYS 2543 TIP3 H1 A 0.417000 1.0079 - 7629 SYS 2543 TIP3 H2 A 0.417000 1.0079 - 7630 SYS 2544 TIP3 O1 C -0.834000 15.9994 - 7631 SYS 2544 TIP3 H1 A 0.417000 1.0079 - 7632 SYS 2544 TIP3 H2 A 0.417000 1.0079 - 7633 SYS 2545 TIP3 O1 C -0.834000 15.9994 - 7634 SYS 2545 TIP3 H1 A 0.417000 1.0079 - 7635 SYS 2545 TIP3 H2 A 0.417000 1.0079 - 7636 SYS 2546 TIP3 O1 C -0.834000 15.9994 - 7637 SYS 2546 TIP3 H1 A 0.417000 1.0079 - 7638 SYS 2546 TIP3 H2 A 0.417000 1.0079 - 7639 SYS 2547 TIP3 O1 C -0.834000 15.9994 - 7640 SYS 2547 TIP3 H1 A 0.417000 1.0079 - 7641 SYS 2547 TIP3 H2 A 0.417000 1.0079 - 7642 SYS 2548 TIP3 O1 C -0.834000 15.9994 - 7643 SYS 2548 TIP3 H1 A 0.417000 1.0079 - 7644 SYS 2548 TIP3 H2 A 0.417000 1.0079 - 7645 SYS 2549 TIP3 O1 C -0.834000 15.9994 - 7646 SYS 2549 TIP3 H1 A 0.417000 1.0079 - 7647 SYS 2549 TIP3 H2 A 0.417000 1.0079 - 7648 SYS 2550 TIP3 O1 C -0.834000 15.9994 - 7649 SYS 2550 TIP3 H1 A 0.417000 1.0079 - 7650 SYS 2550 TIP3 H2 A 0.417000 1.0079 - 7651 SYS 2551 TIP3 O1 C -0.834000 15.9994 - 7652 SYS 2551 TIP3 H1 A 0.417000 1.0079 - 7653 SYS 2551 TIP3 H2 A 0.417000 1.0079 - 7654 SYS 2552 TIP3 O1 C -0.834000 15.9994 - 7655 SYS 2552 TIP3 H1 A 0.417000 1.0079 - 7656 SYS 2552 TIP3 H2 A 0.417000 1.0079 - 7657 SYS 2553 TIP3 O1 C -0.834000 15.9994 - 7658 SYS 2553 TIP3 H1 A 0.417000 1.0079 - 7659 SYS 2553 TIP3 H2 A 0.417000 1.0079 - 7660 SYS 2554 TIP3 O1 C -0.834000 15.9994 - 7661 SYS 2554 TIP3 H1 A 0.417000 1.0079 - 7662 SYS 2554 TIP3 H2 A 0.417000 1.0079 - 7663 SYS 2555 TIP3 O1 C -0.834000 15.9994 - 7664 SYS 2555 TIP3 H1 A 0.417000 1.0079 - 7665 SYS 2555 TIP3 H2 A 0.417000 1.0079 - 7666 SYS 2556 TIP3 O1 C -0.834000 15.9994 - 7667 SYS 2556 TIP3 H1 A 0.417000 1.0079 - 7668 SYS 2556 TIP3 H2 A 0.417000 1.0079 - 7669 SYS 2557 TIP3 O1 C -0.834000 15.9994 - 7670 SYS 2557 TIP3 H1 A 0.417000 1.0079 - 7671 SYS 2557 TIP3 H2 A 0.417000 1.0079 - 7672 SYS 2558 TIP3 O1 C -0.834000 15.9994 - 7673 SYS 2558 TIP3 H1 A 0.417000 1.0079 - 7674 SYS 2558 TIP3 H2 A 0.417000 1.0079 - 7675 SYS 2559 TIP3 O1 C -0.834000 15.9994 - 7676 SYS 2559 TIP3 H1 A 0.417000 1.0079 - 7677 SYS 2559 TIP3 H2 A 0.417000 1.0079 - 7678 SYS 2560 TIP3 O1 C -0.834000 15.9994 - 7679 SYS 2560 TIP3 H1 A 0.417000 1.0079 - 7680 SYS 2560 TIP3 H2 A 0.417000 1.0079 - 7681 SYS 2561 TIP3 O1 C -0.834000 15.9994 - 7682 SYS 2561 TIP3 H1 A 0.417000 1.0079 - 7683 SYS 2561 TIP3 H2 A 0.417000 1.0079 - 7684 SYS 2562 TIP3 O1 C -0.834000 15.9994 - 7685 SYS 2562 TIP3 H1 A 0.417000 1.0079 - 7686 SYS 2562 TIP3 H2 A 0.417000 1.0079 - 7687 SYS 2563 TIP3 O1 C -0.834000 15.9994 - 7688 SYS 2563 TIP3 H1 A 0.417000 1.0079 - 7689 SYS 2563 TIP3 H2 A 0.417000 1.0079 - 7690 SYS 2564 TIP3 O1 C -0.834000 15.9994 - 7691 SYS 2564 TIP3 H1 A 0.417000 1.0079 - 7692 SYS 2564 TIP3 H2 A 0.417000 1.0079 - 7693 SYS 2565 TIP3 O1 C -0.834000 15.9994 - 7694 SYS 2565 TIP3 H1 A 0.417000 1.0079 - 7695 SYS 2565 TIP3 H2 A 0.417000 1.0079 - 7696 SYS 2566 TIP3 O1 C -0.834000 15.9994 - 7697 SYS 2566 TIP3 H1 A 0.417000 1.0079 - 7698 SYS 2566 TIP3 H2 A 0.417000 1.0079 - 7699 SYS 2567 TIP3 O1 C -0.834000 15.9994 - 7700 SYS 2567 TIP3 H1 A 0.417000 1.0079 - 7701 SYS 2567 TIP3 H2 A 0.417000 1.0079 - 7702 SYS 2568 TIP3 O1 C -0.834000 15.9994 - 7703 SYS 2568 TIP3 H1 A 0.417000 1.0079 - 7704 SYS 2568 TIP3 H2 A 0.417000 1.0079 - 7705 SYS 2569 TIP3 O1 C -0.834000 15.9994 - 7706 SYS 2569 TIP3 H1 A 0.417000 1.0079 - 7707 SYS 2569 TIP3 H2 A 0.417000 1.0079 - 7708 SYS 2570 TIP3 O1 C -0.834000 15.9994 - 7709 SYS 2570 TIP3 H1 A 0.417000 1.0079 - 7710 SYS 2570 TIP3 H2 A 0.417000 1.0079 - 7711 SYS 2571 TIP3 O1 C -0.834000 15.9994 - 7712 SYS 2571 TIP3 H1 A 0.417000 1.0079 - 7713 SYS 2571 TIP3 H2 A 0.417000 1.0079 - 7714 SYS 2572 TIP3 O1 C -0.834000 15.9994 - 7715 SYS 2572 TIP3 H1 A 0.417000 1.0079 - 7716 SYS 2572 TIP3 H2 A 0.417000 1.0079 - 7717 SYS 2573 TIP3 O1 C -0.834000 15.9994 - 7718 SYS 2573 TIP3 H1 A 0.417000 1.0079 - 7719 SYS 2573 TIP3 H2 A 0.417000 1.0079 - 7720 SYS 2574 TIP3 O1 C -0.834000 15.9994 - 7721 SYS 2574 TIP3 H1 A 0.417000 1.0079 - 7722 SYS 2574 TIP3 H2 A 0.417000 1.0079 - 7723 SYS 2575 TIP3 O1 C -0.834000 15.9994 - 7724 SYS 2575 TIP3 H1 A 0.417000 1.0079 - 7725 SYS 2575 TIP3 H2 A 0.417000 1.0079 - 7726 SYS 2576 TIP3 O1 C -0.834000 15.9994 - 7727 SYS 2576 TIP3 H1 A 0.417000 1.0079 - 7728 SYS 2576 TIP3 H2 A 0.417000 1.0079 - 7729 SYS 2577 TIP3 O1 C -0.834000 15.9994 - 7730 SYS 2577 TIP3 H1 A 0.417000 1.0079 - 7731 SYS 2577 TIP3 H2 A 0.417000 1.0079 - 7732 SYS 2578 TIP3 O1 C -0.834000 15.9994 - 7733 SYS 2578 TIP3 H1 A 0.417000 1.0079 - 7734 SYS 2578 TIP3 H2 A 0.417000 1.0079 - 7735 SYS 2579 TIP3 O1 C -0.834000 15.9994 - 7736 SYS 2579 TIP3 H1 A 0.417000 1.0079 - 7737 SYS 2579 TIP3 H2 A 0.417000 1.0079 - 7738 SYS 2580 TIP3 O1 C -0.834000 15.9994 - 7739 SYS 2580 TIP3 H1 A 0.417000 1.0079 - 7740 SYS 2580 TIP3 H2 A 0.417000 1.0079 - 7741 SYS 2581 TIP3 O1 C -0.834000 15.9994 - 7742 SYS 2581 TIP3 H1 A 0.417000 1.0079 - 7743 SYS 2581 TIP3 H2 A 0.417000 1.0079 - 7744 SYS 2582 TIP3 O1 C -0.834000 15.9994 - 7745 SYS 2582 TIP3 H1 A 0.417000 1.0079 - 7746 SYS 2582 TIP3 H2 A 0.417000 1.0079 - 7747 SYS 2583 TIP3 O1 C -0.834000 15.9994 - 7748 SYS 2583 TIP3 H1 A 0.417000 1.0079 - 7749 SYS 2583 TIP3 H2 A 0.417000 1.0079 - 7750 SYS 2584 TIP3 O1 C -0.834000 15.9994 - 7751 SYS 2584 TIP3 H1 A 0.417000 1.0079 - 7752 SYS 2584 TIP3 H2 A 0.417000 1.0079 - 7753 SYS 2585 TIP3 O1 C -0.834000 15.9994 - 7754 SYS 2585 TIP3 H1 A 0.417000 1.0079 - 7755 SYS 2585 TIP3 H2 A 0.417000 1.0079 - 7756 SYS 2586 TIP3 O1 C -0.834000 15.9994 - 7757 SYS 2586 TIP3 H1 A 0.417000 1.0079 - 7758 SYS 2586 TIP3 H2 A 0.417000 1.0079 - 7759 SYS 2587 TIP3 O1 C -0.834000 15.9994 - 7760 SYS 2587 TIP3 H1 A 0.417000 1.0079 - 7761 SYS 2587 TIP3 H2 A 0.417000 1.0079 - 7762 SYS 2588 TIP3 O1 C -0.834000 15.9994 - 7763 SYS 2588 TIP3 H1 A 0.417000 1.0079 - 7764 SYS 2588 TIP3 H2 A 0.417000 1.0079 - 7765 SYS 2589 TIP3 O1 C -0.834000 15.9994 - 7766 SYS 2589 TIP3 H1 A 0.417000 1.0079 - 7767 SYS 2589 TIP3 H2 A 0.417000 1.0079 - 7768 SYS 2590 TIP3 O1 C -0.834000 15.9994 - 7769 SYS 2590 TIP3 H1 A 0.417000 1.0079 - 7770 SYS 2590 TIP3 H2 A 0.417000 1.0079 - 7771 SYS 2591 TIP3 O1 C -0.834000 15.9994 - 7772 SYS 2591 TIP3 H1 A 0.417000 1.0079 - 7773 SYS 2591 TIP3 H2 A 0.417000 1.0079 - 7774 SYS 2592 TIP3 O1 C -0.834000 15.9994 - 7775 SYS 2592 TIP3 H1 A 0.417000 1.0079 - 7776 SYS 2592 TIP3 H2 A 0.417000 1.0079 - 7777 SYS 2593 TIP3 O1 C -0.834000 15.9994 - 7778 SYS 2593 TIP3 H1 A 0.417000 1.0079 - 7779 SYS 2593 TIP3 H2 A 0.417000 1.0079 - 7780 SYS 2594 TIP3 O1 C -0.834000 15.9994 - 7781 SYS 2594 TIP3 H1 A 0.417000 1.0079 - 7782 SYS 2594 TIP3 H2 A 0.417000 1.0079 - 7783 SYS 2595 TIP3 O1 C -0.834000 15.9994 - 7784 SYS 2595 TIP3 H1 A 0.417000 1.0079 - 7785 SYS 2595 TIP3 H2 A 0.417000 1.0079 - 7786 SYS 2596 TIP3 O1 C -0.834000 15.9994 - 7787 SYS 2596 TIP3 H1 A 0.417000 1.0079 - 7788 SYS 2596 TIP3 H2 A 0.417000 1.0079 - 7789 SYS 2597 TIP3 O1 C -0.834000 15.9994 - 7790 SYS 2597 TIP3 H1 A 0.417000 1.0079 - 7791 SYS 2597 TIP3 H2 A 0.417000 1.0079 - 7792 SYS 2598 TIP3 O1 C -0.834000 15.9994 - 7793 SYS 2598 TIP3 H1 A 0.417000 1.0079 - 7794 SYS 2598 TIP3 H2 A 0.417000 1.0079 - 7795 SYS 2599 TIP3 O1 C -0.834000 15.9994 - 7796 SYS 2599 TIP3 H1 A 0.417000 1.0079 - 7797 SYS 2599 TIP3 H2 A 0.417000 1.0079 - 7798 SYS 2600 TIP3 O1 C -0.834000 15.9994 - 7799 SYS 2600 TIP3 H1 A 0.417000 1.0079 - 7800 SYS 2600 TIP3 H2 A 0.417000 1.0079 - 7801 SYS 2601 TIP3 O1 C -0.834000 15.9994 - 7802 SYS 2601 TIP3 H1 A 0.417000 1.0079 - 7803 SYS 2601 TIP3 H2 A 0.417000 1.0079 - 7804 SYS 2602 TIP3 O1 C -0.834000 15.9994 - 7805 SYS 2602 TIP3 H1 A 0.417000 1.0079 - 7806 SYS 2602 TIP3 H2 A 0.417000 1.0079 - 7807 SYS 2603 TIP3 O1 C -0.834000 15.9994 - 7808 SYS 2603 TIP3 H1 A 0.417000 1.0079 - 7809 SYS 2603 TIP3 H2 A 0.417000 1.0079 - 7810 SYS 2604 TIP3 O1 C -0.834000 15.9994 - 7811 SYS 2604 TIP3 H1 A 0.417000 1.0079 - 7812 SYS 2604 TIP3 H2 A 0.417000 1.0079 - 7813 SYS 2605 TIP3 O1 C -0.834000 15.9994 - 7814 SYS 2605 TIP3 H1 A 0.417000 1.0079 - 7815 SYS 2605 TIP3 H2 A 0.417000 1.0079 - 7816 SYS 2606 TIP3 O1 C -0.834000 15.9994 - 7817 SYS 2606 TIP3 H1 A 0.417000 1.0079 - 7818 SYS 2606 TIP3 H2 A 0.417000 1.0079 - 7819 SYS 2607 TIP3 O1 C -0.834000 15.9994 - 7820 SYS 2607 TIP3 H1 A 0.417000 1.0079 - 7821 SYS 2607 TIP3 H2 A 0.417000 1.0079 - 7822 SYS 2608 TIP3 O1 C -0.834000 15.9994 - 7823 SYS 2608 TIP3 H1 A 0.417000 1.0079 - 7824 SYS 2608 TIP3 H2 A 0.417000 1.0079 - 7825 SYS 2609 TIP3 O1 C -0.834000 15.9994 - 7826 SYS 2609 TIP3 H1 A 0.417000 1.0079 - 7827 SYS 2609 TIP3 H2 A 0.417000 1.0079 - 7828 SYS 2610 TIP3 O1 C -0.834000 15.9994 - 7829 SYS 2610 TIP3 H1 A 0.417000 1.0079 - 7830 SYS 2610 TIP3 H2 A 0.417000 1.0079 - 7831 SYS 2611 TIP3 O1 C -0.834000 15.9994 - 7832 SYS 2611 TIP3 H1 A 0.417000 1.0079 - 7833 SYS 2611 TIP3 H2 A 0.417000 1.0079 - 7834 SYS 2612 TIP3 O1 C -0.834000 15.9994 - 7835 SYS 2612 TIP3 H1 A 0.417000 1.0079 - 7836 SYS 2612 TIP3 H2 A 0.417000 1.0079 - 7837 SYS 2613 TIP3 O1 C -0.834000 15.9994 - 7838 SYS 2613 TIP3 H1 A 0.417000 1.0079 - 7839 SYS 2613 TIP3 H2 A 0.417000 1.0079 - 7840 SYS 2614 TIP3 O1 C -0.834000 15.9994 - 7841 SYS 2614 TIP3 H1 A 0.417000 1.0079 - 7842 SYS 2614 TIP3 H2 A 0.417000 1.0079 - 7843 SYS 2615 TIP3 O1 C -0.834000 15.9994 - 7844 SYS 2615 TIP3 H1 A 0.417000 1.0079 - 7845 SYS 2615 TIP3 H2 A 0.417000 1.0079 - 7846 SYS 2616 TIP3 O1 C -0.834000 15.9994 - 7847 SYS 2616 TIP3 H1 A 0.417000 1.0079 - 7848 SYS 2616 TIP3 H2 A 0.417000 1.0079 - 7849 SYS 2617 TIP3 O1 C -0.834000 15.9994 - 7850 SYS 2617 TIP3 H1 A 0.417000 1.0079 - 7851 SYS 2617 TIP3 H2 A 0.417000 1.0079 - 7852 SYS 2618 TIP3 O1 C -0.834000 15.9994 - 7853 SYS 2618 TIP3 H1 A 0.417000 1.0079 - 7854 SYS 2618 TIP3 H2 A 0.417000 1.0079 - 7855 SYS 2619 TIP3 O1 C -0.834000 15.9994 - 7856 SYS 2619 TIP3 H1 A 0.417000 1.0079 - 7857 SYS 2619 TIP3 H2 A 0.417000 1.0079 - 7858 SYS 2620 TIP3 O1 C -0.834000 15.9994 - 7859 SYS 2620 TIP3 H1 A 0.417000 1.0079 - 7860 SYS 2620 TIP3 H2 A 0.417000 1.0079 - 7861 SYS 2621 TIP3 O1 C -0.834000 15.9994 - 7862 SYS 2621 TIP3 H1 A 0.417000 1.0079 - 7863 SYS 2621 TIP3 H2 A 0.417000 1.0079 - 7864 SYS 2622 TIP3 O1 C -0.834000 15.9994 - 7865 SYS 2622 TIP3 H1 A 0.417000 1.0079 - 7866 SYS 2622 TIP3 H2 A 0.417000 1.0079 - 7867 SYS 2623 TIP3 O1 C -0.834000 15.9994 - 7868 SYS 2623 TIP3 H1 A 0.417000 1.0079 - 7869 SYS 2623 TIP3 H2 A 0.417000 1.0079 - 7870 SYS 2624 TIP3 O1 C -0.834000 15.9994 - 7871 SYS 2624 TIP3 H1 A 0.417000 1.0079 - 7872 SYS 2624 TIP3 H2 A 0.417000 1.0079 - 7873 SYS 2625 TIP3 O1 C -0.834000 15.9994 - 7874 SYS 2625 TIP3 H1 A 0.417000 1.0079 - 7875 SYS 2625 TIP3 H2 A 0.417000 1.0079 - 7876 SYS 2626 TIP3 O1 C -0.834000 15.9994 - 7877 SYS 2626 TIP3 H1 A 0.417000 1.0079 - 7878 SYS 2626 TIP3 H2 A 0.417000 1.0079 - 7879 SYS 2627 TIP3 O1 C -0.834000 15.9994 - 7880 SYS 2627 TIP3 H1 A 0.417000 1.0079 - 7881 SYS 2627 TIP3 H2 A 0.417000 1.0079 - 7882 SYS 2628 TIP3 O1 C -0.834000 15.9994 - 7883 SYS 2628 TIP3 H1 A 0.417000 1.0079 - 7884 SYS 2628 TIP3 H2 A 0.417000 1.0079 - 7885 SYS 2629 TIP3 O1 C -0.834000 15.9994 - 7886 SYS 2629 TIP3 H1 A 0.417000 1.0079 - 7887 SYS 2629 TIP3 H2 A 0.417000 1.0079 - 7888 SYS 2630 TIP3 O1 C -0.834000 15.9994 - 7889 SYS 2630 TIP3 H1 A 0.417000 1.0079 - 7890 SYS 2630 TIP3 H2 A 0.417000 1.0079 - 7891 SYS 2631 TIP3 O1 C -0.834000 15.9994 - 7892 SYS 2631 TIP3 H1 A 0.417000 1.0079 - 7893 SYS 2631 TIP3 H2 A 0.417000 1.0079 - 7894 SYS 2632 TIP3 O1 C -0.834000 15.9994 - 7895 SYS 2632 TIP3 H1 A 0.417000 1.0079 - 7896 SYS 2632 TIP3 H2 A 0.417000 1.0079 - 7897 SYS 2633 TIP3 O1 C -0.834000 15.9994 - 7898 SYS 2633 TIP3 H1 A 0.417000 1.0079 - 7899 SYS 2633 TIP3 H2 A 0.417000 1.0079 - 7900 SYS 2634 TIP3 O1 C -0.834000 15.9994 - 7901 SYS 2634 TIP3 H1 A 0.417000 1.0079 - 7902 SYS 2634 TIP3 H2 A 0.417000 1.0079 - 7903 SYS 2635 TIP3 O1 C -0.834000 15.9994 - 7904 SYS 2635 TIP3 H1 A 0.417000 1.0079 - 7905 SYS 2635 TIP3 H2 A 0.417000 1.0079 - 7906 SYS 2636 TIP3 O1 C -0.834000 15.9994 - 7907 SYS 2636 TIP3 H1 A 0.417000 1.0079 - 7908 SYS 2636 TIP3 H2 A 0.417000 1.0079 - 7909 SYS 2637 TIP3 O1 C -0.834000 15.9994 - 7910 SYS 2637 TIP3 H1 A 0.417000 1.0079 - 7911 SYS 2637 TIP3 H2 A 0.417000 1.0079 - 7912 SYS 2638 TIP3 O1 C -0.834000 15.9994 - 7913 SYS 2638 TIP3 H1 A 0.417000 1.0079 - 7914 SYS 2638 TIP3 H2 A 0.417000 1.0079 - 7915 SYS 2639 TIP3 O1 C -0.834000 15.9994 - 7916 SYS 2639 TIP3 H1 A 0.417000 1.0079 - 7917 SYS 2639 TIP3 H2 A 0.417000 1.0079 - 7918 SYS 2640 TIP3 O1 C -0.834000 15.9994 - 7919 SYS 2640 TIP3 H1 A 0.417000 1.0079 - 7920 SYS 2640 TIP3 H2 A 0.417000 1.0079 - 7921 SYS 2641 TIP3 O1 C -0.834000 15.9994 - 7922 SYS 2641 TIP3 H1 A 0.417000 1.0079 - 7923 SYS 2641 TIP3 H2 A 0.417000 1.0079 - 7924 SYS 2642 TIP3 O1 C -0.834000 15.9994 - 7925 SYS 2642 TIP3 H1 A 0.417000 1.0079 - 7926 SYS 2642 TIP3 H2 A 0.417000 1.0079 - 7927 SYS 2643 TIP3 O1 C -0.834000 15.9994 - 7928 SYS 2643 TIP3 H1 A 0.417000 1.0079 - 7929 SYS 2643 TIP3 H2 A 0.417000 1.0079 - 7930 SYS 2644 TIP3 O1 C -0.834000 15.9994 - 7931 SYS 2644 TIP3 H1 A 0.417000 1.0079 - 7932 SYS 2644 TIP3 H2 A 0.417000 1.0079 - 7933 SYS 2645 TIP3 O1 C -0.834000 15.9994 - 7934 SYS 2645 TIP3 H1 A 0.417000 1.0079 - 7935 SYS 2645 TIP3 H2 A 0.417000 1.0079 - 7936 SYS 2646 TIP3 O1 C -0.834000 15.9994 - 7937 SYS 2646 TIP3 H1 A 0.417000 1.0079 - 7938 SYS 2646 TIP3 H2 A 0.417000 1.0079 - 7939 SYS 2647 TIP3 O1 C -0.834000 15.9994 - 7940 SYS 2647 TIP3 H1 A 0.417000 1.0079 - 7941 SYS 2647 TIP3 H2 A 0.417000 1.0079 - 7942 SYS 2648 TIP3 O1 C -0.834000 15.9994 - 7943 SYS 2648 TIP3 H1 A 0.417000 1.0079 - 7944 SYS 2648 TIP3 H2 A 0.417000 1.0079 - 7945 SYS 2649 TIP3 O1 C -0.834000 15.9994 - 7946 SYS 2649 TIP3 H1 A 0.417000 1.0079 - 7947 SYS 2649 TIP3 H2 A 0.417000 1.0079 - 7948 SYS 2650 TIP3 O1 C -0.834000 15.9994 - 7949 SYS 2650 TIP3 H1 A 0.417000 1.0079 - 7950 SYS 2650 TIP3 H2 A 0.417000 1.0079 - 7951 SYS 2651 TIP3 O1 C -0.834000 15.9994 - 7952 SYS 2651 TIP3 H1 A 0.417000 1.0079 - 7953 SYS 2651 TIP3 H2 A 0.417000 1.0079 - 7954 SYS 2652 TIP3 O1 C -0.834000 15.9994 - 7955 SYS 2652 TIP3 H1 A 0.417000 1.0079 - 7956 SYS 2652 TIP3 H2 A 0.417000 1.0079 - 7957 SYS 2653 TIP3 O1 C -0.834000 15.9994 - 7958 SYS 2653 TIP3 H1 A 0.417000 1.0079 - 7959 SYS 2653 TIP3 H2 A 0.417000 1.0079 - 7960 SYS 2654 TIP3 O1 C -0.834000 15.9994 - 7961 SYS 2654 TIP3 H1 A 0.417000 1.0079 - 7962 SYS 2654 TIP3 H2 A 0.417000 1.0079 - 7963 SYS 2655 TIP3 O1 C -0.834000 15.9994 - 7964 SYS 2655 TIP3 H1 A 0.417000 1.0079 - 7965 SYS 2655 TIP3 H2 A 0.417000 1.0079 - 7966 SYS 2656 TIP3 O1 C -0.834000 15.9994 - 7967 SYS 2656 TIP3 H1 A 0.417000 1.0079 - 7968 SYS 2656 TIP3 H2 A 0.417000 1.0079 - 7969 SYS 2657 TIP3 O1 C -0.834000 15.9994 - 7970 SYS 2657 TIP3 H1 A 0.417000 1.0079 - 7971 SYS 2657 TIP3 H2 A 0.417000 1.0079 - 7972 SYS 2658 TIP3 O1 C -0.834000 15.9994 - 7973 SYS 2658 TIP3 H1 A 0.417000 1.0079 - 7974 SYS 2658 TIP3 H2 A 0.417000 1.0079 - 7975 SYS 2659 TIP3 O1 C -0.834000 15.9994 - 7976 SYS 2659 TIP3 H1 A 0.417000 1.0079 - 7977 SYS 2659 TIP3 H2 A 0.417000 1.0079 - 7978 SYS 2660 TIP3 O1 C -0.834000 15.9994 - 7979 SYS 2660 TIP3 H1 A 0.417000 1.0079 - 7980 SYS 2660 TIP3 H2 A 0.417000 1.0079 - 7981 SYS 2661 TIP3 O1 C -0.834000 15.9994 - 7982 SYS 2661 TIP3 H1 A 0.417000 1.0079 - 7983 SYS 2661 TIP3 H2 A 0.417000 1.0079 - 7984 SYS 2662 TIP3 O1 C -0.834000 15.9994 - 7985 SYS 2662 TIP3 H1 A 0.417000 1.0079 - 7986 SYS 2662 TIP3 H2 A 0.417000 1.0079 - 7987 SYS 2663 TIP3 O1 C -0.834000 15.9994 - 7988 SYS 2663 TIP3 H1 A 0.417000 1.0079 - 7989 SYS 2663 TIP3 H2 A 0.417000 1.0079 - 7990 SYS 2664 TIP3 O1 C -0.834000 15.9994 - 7991 SYS 2664 TIP3 H1 A 0.417000 1.0079 - 7992 SYS 2664 TIP3 H2 A 0.417000 1.0079 - 7993 SYS 2665 TIP3 O1 C -0.834000 15.9994 - 7994 SYS 2665 TIP3 H1 A 0.417000 1.0079 - 7995 SYS 2665 TIP3 H2 A 0.417000 1.0079 - 7996 SYS 2666 TIP3 O1 C -0.834000 15.9994 - 7997 SYS 2666 TIP3 H1 A 0.417000 1.0079 - 7998 SYS 2666 TIP3 H2 A 0.417000 1.0079 - 7999 SYS 2667 TIP3 O1 C -0.834000 15.9994 - 8000 SYS 2667 TIP3 H1 A 0.417000 1.0079 - 8001 SYS 2667 TIP3 H2 A 0.417000 1.0079 - 8002 SYS 2668 TIP3 O1 C -0.834000 15.9994 - 8003 SYS 2668 TIP3 H1 A 0.417000 1.0079 - 8004 SYS 2668 TIP3 H2 A 0.417000 1.0079 - 8005 SYS 2669 TIP3 O1 C -0.834000 15.9994 - 8006 SYS 2669 TIP3 H1 A 0.417000 1.0079 - 8007 SYS 2669 TIP3 H2 A 0.417000 1.0079 - 8008 SYS 2670 TIP3 O1 C -0.834000 15.9994 - 8009 SYS 2670 TIP3 H1 A 0.417000 1.0079 - 8010 SYS 2670 TIP3 H2 A 0.417000 1.0079 - 8011 SYS 2671 TIP3 O1 C -0.834000 15.9994 - 8012 SYS 2671 TIP3 H1 A 0.417000 1.0079 - 8013 SYS 2671 TIP3 H2 A 0.417000 1.0079 - 8014 SYS 2672 TIP3 O1 C -0.834000 15.9994 - 8015 SYS 2672 TIP3 H1 A 0.417000 1.0079 - 8016 SYS 2672 TIP3 H2 A 0.417000 1.0079 - 8017 SYS 2673 TIP3 O1 C -0.834000 15.9994 - 8018 SYS 2673 TIP3 H1 A 0.417000 1.0079 - 8019 SYS 2673 TIP3 H2 A 0.417000 1.0079 - 8020 SYS 2674 TIP3 O1 C -0.834000 15.9994 - 8021 SYS 2674 TIP3 H1 A 0.417000 1.0079 - 8022 SYS 2674 TIP3 H2 A 0.417000 1.0079 - 8023 SYS 2675 TIP3 O1 C -0.834000 15.9994 - 8024 SYS 2675 TIP3 H1 A 0.417000 1.0079 - 8025 SYS 2675 TIP3 H2 A 0.417000 1.0079 - 8026 SYS 2676 TIP3 O1 C -0.834000 15.9994 - 8027 SYS 2676 TIP3 H1 A 0.417000 1.0079 - 8028 SYS 2676 TIP3 H2 A 0.417000 1.0079 - 8029 SYS 2677 TIP3 O1 C -0.834000 15.9994 - 8030 SYS 2677 TIP3 H1 A 0.417000 1.0079 - 8031 SYS 2677 TIP3 H2 A 0.417000 1.0079 - 8032 SYS 2678 TIP3 O1 C -0.834000 15.9994 - 8033 SYS 2678 TIP3 H1 A 0.417000 1.0079 - 8034 SYS 2678 TIP3 H2 A 0.417000 1.0079 - 8035 SYS 2679 TIP3 O1 C -0.834000 15.9994 - 8036 SYS 2679 TIP3 H1 A 0.417000 1.0079 - 8037 SYS 2679 TIP3 H2 A 0.417000 1.0079 - 8038 SYS 2680 TIP3 O1 C -0.834000 15.9994 - 8039 SYS 2680 TIP3 H1 A 0.417000 1.0079 - 8040 SYS 2680 TIP3 H2 A 0.417000 1.0079 - 8041 SYS 2681 TIP3 O1 C -0.834000 15.9994 - 8042 SYS 2681 TIP3 H1 A 0.417000 1.0079 - 8043 SYS 2681 TIP3 H2 A 0.417000 1.0079 - 8044 SYS 2682 TIP3 O1 C -0.834000 15.9994 - 8045 SYS 2682 TIP3 H1 A 0.417000 1.0079 - 8046 SYS 2682 TIP3 H2 A 0.417000 1.0079 - 8047 SYS 2683 TIP3 O1 C -0.834000 15.9994 - 8048 SYS 2683 TIP3 H1 A 0.417000 1.0079 - 8049 SYS 2683 TIP3 H2 A 0.417000 1.0079 - 8050 SYS 2684 TIP3 O1 C -0.834000 15.9994 - 8051 SYS 2684 TIP3 H1 A 0.417000 1.0079 - 8052 SYS 2684 TIP3 H2 A 0.417000 1.0079 - 8053 SYS 2685 TIP3 O1 C -0.834000 15.9994 - 8054 SYS 2685 TIP3 H1 A 0.417000 1.0079 - 8055 SYS 2685 TIP3 H2 A 0.417000 1.0079 - 8056 SYS 2686 TIP3 O1 C -0.834000 15.9994 - 8057 SYS 2686 TIP3 H1 A 0.417000 1.0079 - 8058 SYS 2686 TIP3 H2 A 0.417000 1.0079 - 8059 SYS 2687 TIP3 O1 C -0.834000 15.9994 - 8060 SYS 2687 TIP3 H1 A 0.417000 1.0079 - 8061 SYS 2687 TIP3 H2 A 0.417000 1.0079 - 8062 SYS 2688 TIP3 O1 C -0.834000 15.9994 - 8063 SYS 2688 TIP3 H1 A 0.417000 1.0079 - 8064 SYS 2688 TIP3 H2 A 0.417000 1.0079 - 8065 SYS 2689 TIP3 O1 C -0.834000 15.9994 - 8066 SYS 2689 TIP3 H1 A 0.417000 1.0079 - 8067 SYS 2689 TIP3 H2 A 0.417000 1.0079 - 8068 SYS 2690 TIP3 O1 C -0.834000 15.9994 - 8069 SYS 2690 TIP3 H1 A 0.417000 1.0079 - 8070 SYS 2690 TIP3 H2 A 0.417000 1.0079 - 8071 SYS 2691 TIP3 O1 C -0.834000 15.9994 - 8072 SYS 2691 TIP3 H1 A 0.417000 1.0079 - 8073 SYS 2691 TIP3 H2 A 0.417000 1.0079 - 8074 SYS 2692 TIP3 O1 C -0.834000 15.9994 - 8075 SYS 2692 TIP3 H1 A 0.417000 1.0079 - 8076 SYS 2692 TIP3 H2 A 0.417000 1.0079 - 8077 SYS 2693 TIP3 O1 C -0.834000 15.9994 - 8078 SYS 2693 TIP3 H1 A 0.417000 1.0079 - 8079 SYS 2693 TIP3 H2 A 0.417000 1.0079 - 8080 SYS 2694 TIP3 O1 C -0.834000 15.9994 - 8081 SYS 2694 TIP3 H1 A 0.417000 1.0079 - 8082 SYS 2694 TIP3 H2 A 0.417000 1.0079 - 8083 SYS 2695 TIP3 O1 C -0.834000 15.9994 - 8084 SYS 2695 TIP3 H1 A 0.417000 1.0079 - 8085 SYS 2695 TIP3 H2 A 0.417000 1.0079 - 8086 SYS 2696 TIP3 O1 C -0.834000 15.9994 - 8087 SYS 2696 TIP3 H1 A 0.417000 1.0079 - 8088 SYS 2696 TIP3 H2 A 0.417000 1.0079 - 8089 SYS 2697 TIP3 O1 C -0.834000 15.9994 - 8090 SYS 2697 TIP3 H1 A 0.417000 1.0079 - 8091 SYS 2697 TIP3 H2 A 0.417000 1.0079 - 8092 SYS 2698 TIP3 O1 C -0.834000 15.9994 - 8093 SYS 2698 TIP3 H1 A 0.417000 1.0079 - 8094 SYS 2698 TIP3 H2 A 0.417000 1.0079 - 8095 SYS 2699 TIP3 O1 C -0.834000 15.9994 - 8096 SYS 2699 TIP3 H1 A 0.417000 1.0079 - 8097 SYS 2699 TIP3 H2 A 0.417000 1.0079 - 8098 SYS 2700 TIP3 O1 C -0.834000 15.9994 - 8099 SYS 2700 TIP3 H1 A 0.417000 1.0079 - 8100 SYS 2700 TIP3 H2 A 0.417000 1.0079 - 8101 SYS 2701 TIP3 O1 C -0.834000 15.9994 - 8102 SYS 2701 TIP3 H1 A 0.417000 1.0079 - 8103 SYS 2701 TIP3 H2 A 0.417000 1.0079 - 8104 SYS 2702 TIP3 O1 C -0.834000 15.9994 - 8105 SYS 2702 TIP3 H1 A 0.417000 1.0079 - 8106 SYS 2702 TIP3 H2 A 0.417000 1.0079 - 8107 SYS 2703 TIP3 O1 C -0.834000 15.9994 - 8108 SYS 2703 TIP3 H1 A 0.417000 1.0079 - 8109 SYS 2703 TIP3 H2 A 0.417000 1.0079 - 8110 SYS 2704 TIP3 O1 C -0.834000 15.9994 - 8111 SYS 2704 TIP3 H1 A 0.417000 1.0079 - 8112 SYS 2704 TIP3 H2 A 0.417000 1.0079 - 8113 SYS 2705 TIP3 O1 C -0.834000 15.9994 - 8114 SYS 2705 TIP3 H1 A 0.417000 1.0079 - 8115 SYS 2705 TIP3 H2 A 0.417000 1.0079 - 8116 SYS 2706 TIP3 O1 C -0.834000 15.9994 - 8117 SYS 2706 TIP3 H1 A 0.417000 1.0079 - 8118 SYS 2706 TIP3 H2 A 0.417000 1.0079 - 8119 SYS 2707 TIP3 O1 C -0.834000 15.9994 - 8120 SYS 2707 TIP3 H1 A 0.417000 1.0079 - 8121 SYS 2707 TIP3 H2 A 0.417000 1.0079 - 8122 SYS 2708 TIP3 O1 C -0.834000 15.9994 - 8123 SYS 2708 TIP3 H1 A 0.417000 1.0079 - 8124 SYS 2708 TIP3 H2 A 0.417000 1.0079 - 8125 SYS 2709 TIP3 O1 C -0.834000 15.9994 - 8126 SYS 2709 TIP3 H1 A 0.417000 1.0079 - 8127 SYS 2709 TIP3 H2 A 0.417000 1.0079 - 8128 SYS 2710 TIP3 O1 C -0.834000 15.9994 - 8129 SYS 2710 TIP3 H1 A 0.417000 1.0079 - 8130 SYS 2710 TIP3 H2 A 0.417000 1.0079 - 8131 SYS 2711 TIP3 O1 C -0.834000 15.9994 - 8132 SYS 2711 TIP3 H1 A 0.417000 1.0079 - 8133 SYS 2711 TIP3 H2 A 0.417000 1.0079 - 8134 SYS 2712 TIP3 O1 C -0.834000 15.9994 - 8135 SYS 2712 TIP3 H1 A 0.417000 1.0079 - 8136 SYS 2712 TIP3 H2 A 0.417000 1.0079 - 8137 SYS 2713 TIP3 O1 C -0.834000 15.9994 - 8138 SYS 2713 TIP3 H1 A 0.417000 1.0079 - 8139 SYS 2713 TIP3 H2 A 0.417000 1.0079 - 8140 SYS 2714 TIP3 O1 C -0.834000 15.9994 - 8141 SYS 2714 TIP3 H1 A 0.417000 1.0079 - 8142 SYS 2714 TIP3 H2 A 0.417000 1.0079 - 8143 SYS 2715 TIP3 O1 C -0.834000 15.9994 - 8144 SYS 2715 TIP3 H1 A 0.417000 1.0079 - 8145 SYS 2715 TIP3 H2 A 0.417000 1.0079 - 8146 SYS 2716 TIP3 O1 C -0.834000 15.9994 - 8147 SYS 2716 TIP3 H1 A 0.417000 1.0079 - 8148 SYS 2716 TIP3 H2 A 0.417000 1.0079 - 8149 SYS 2717 TIP3 O1 C -0.834000 15.9994 - 8150 SYS 2717 TIP3 H1 A 0.417000 1.0079 - 8151 SYS 2717 TIP3 H2 A 0.417000 1.0079 - 8152 SYS 2718 TIP3 O1 C -0.834000 15.9994 - 8153 SYS 2718 TIP3 H1 A 0.417000 1.0079 - 8154 SYS 2718 TIP3 H2 A 0.417000 1.0079 - 8155 SYS 2719 TIP3 O1 C -0.834000 15.9994 - 8156 SYS 2719 TIP3 H1 A 0.417000 1.0079 - 8157 SYS 2719 TIP3 H2 A 0.417000 1.0079 - 8158 SYS 2720 TIP3 O1 C -0.834000 15.9994 - 8159 SYS 2720 TIP3 H1 A 0.417000 1.0079 - 8160 SYS 2720 TIP3 H2 A 0.417000 1.0079 - 8161 SYS 2721 TIP3 O1 C -0.834000 15.9994 - 8162 SYS 2721 TIP3 H1 A 0.417000 1.0079 - 8163 SYS 2721 TIP3 H2 A 0.417000 1.0079 - 8164 SYS 2722 TIP3 O1 C -0.834000 15.9994 - 8165 SYS 2722 TIP3 H1 A 0.417000 1.0079 - 8166 SYS 2722 TIP3 H2 A 0.417000 1.0079 - 8167 SYS 2723 TIP3 O1 C -0.834000 15.9994 - 8168 SYS 2723 TIP3 H1 A 0.417000 1.0079 - 8169 SYS 2723 TIP3 H2 A 0.417000 1.0079 - 8170 SYS 2724 TIP3 O1 C -0.834000 15.9994 - 8171 SYS 2724 TIP3 H1 A 0.417000 1.0079 - 8172 SYS 2724 TIP3 H2 A 0.417000 1.0079 - 8173 SYS 2725 TIP3 O1 C -0.834000 15.9994 - 8174 SYS 2725 TIP3 H1 A 0.417000 1.0079 - 8175 SYS 2725 TIP3 H2 A 0.417000 1.0079 - 8176 SYS 2726 TIP3 O1 C -0.834000 15.9994 - 8177 SYS 2726 TIP3 H1 A 0.417000 1.0079 - 8178 SYS 2726 TIP3 H2 A 0.417000 1.0079 - 8179 SYS 2727 TIP3 O1 C -0.834000 15.9994 - 8180 SYS 2727 TIP3 H1 A 0.417000 1.0079 - 8181 SYS 2727 TIP3 H2 A 0.417000 1.0079 - 8182 SYS 2728 TIP3 O1 C -0.834000 15.9994 - 8183 SYS 2728 TIP3 H1 A 0.417000 1.0079 - 8184 SYS 2728 TIP3 H2 A 0.417000 1.0079 - 8185 SYS 2729 TIP3 O1 C -0.834000 15.9994 - 8186 SYS 2729 TIP3 H1 A 0.417000 1.0079 - 8187 SYS 2729 TIP3 H2 A 0.417000 1.0079 - 8188 SYS 2730 TIP3 O1 C -0.834000 15.9994 - 8189 SYS 2730 TIP3 H1 A 0.417000 1.0079 - 8190 SYS 2730 TIP3 H2 A 0.417000 1.0079 - 8191 SYS 2731 TIP3 O1 C -0.834000 15.9994 - 8192 SYS 2731 TIP3 H1 A 0.417000 1.0079 - 8193 SYS 2731 TIP3 H2 A 0.417000 1.0079 - 8194 SYS 2732 TIP3 O1 C -0.834000 15.9994 - 8195 SYS 2732 TIP3 H1 A 0.417000 1.0079 - 8196 SYS 2732 TIP3 H2 A 0.417000 1.0079 - 8197 SYS 2733 TIP3 O1 C -0.834000 15.9994 - 8198 SYS 2733 TIP3 H1 A 0.417000 1.0079 - 8199 SYS 2733 TIP3 H2 A 0.417000 1.0079 - 8200 SYS 2734 TIP3 O1 C -0.834000 15.9994 - 8201 SYS 2734 TIP3 H1 A 0.417000 1.0079 - 8202 SYS 2734 TIP3 H2 A 0.417000 1.0079 - 8203 SYS 2735 TIP3 O1 C -0.834000 15.9994 - 8204 SYS 2735 TIP3 H1 A 0.417000 1.0079 - 8205 SYS 2735 TIP3 H2 A 0.417000 1.0079 - 8206 SYS 2736 TIP3 O1 C -0.834000 15.9994 - 8207 SYS 2736 TIP3 H1 A 0.417000 1.0079 - 8208 SYS 2736 TIP3 H2 A 0.417000 1.0079 - 8209 SYS 2737 TIP3 O1 C -0.834000 15.9994 - 8210 SYS 2737 TIP3 H1 A 0.417000 1.0079 - 8211 SYS 2737 TIP3 H2 A 0.417000 1.0079 - 8212 SYS 2738 TIP3 O1 C -0.834000 15.9994 - 8213 SYS 2738 TIP3 H1 A 0.417000 1.0079 - 8214 SYS 2738 TIP3 H2 A 0.417000 1.0079 - 8215 SYS 2739 TIP3 O1 C -0.834000 15.9994 - 8216 SYS 2739 TIP3 H1 A 0.417000 1.0079 - 8217 SYS 2739 TIP3 H2 A 0.417000 1.0079 - 8218 SYS 2740 TIP3 O1 C -0.834000 15.9994 - 8219 SYS 2740 TIP3 H1 A 0.417000 1.0079 - 8220 SYS 2740 TIP3 H2 A 0.417000 1.0079 - 8221 SYS 2741 TIP3 O1 C -0.834000 15.9994 - 8222 SYS 2741 TIP3 H1 A 0.417000 1.0079 - 8223 SYS 2741 TIP3 H2 A 0.417000 1.0079 - 8224 SYS 2742 TIP3 O1 C -0.834000 15.9994 - 8225 SYS 2742 TIP3 H1 A 0.417000 1.0079 - 8226 SYS 2742 TIP3 H2 A 0.417000 1.0079 - 8227 SYS 2743 TIP3 O1 C -0.834000 15.9994 - 8228 SYS 2743 TIP3 H1 A 0.417000 1.0079 - 8229 SYS 2743 TIP3 H2 A 0.417000 1.0079 - 8230 SYS 2744 TIP3 O1 C -0.834000 15.9994 - 8231 SYS 2744 TIP3 H1 A 0.417000 1.0079 - 8232 SYS 2744 TIP3 H2 A 0.417000 1.0079 - 8233 SYS 2745 TIP3 O1 C -0.834000 15.9994 - 8234 SYS 2745 TIP3 H1 A 0.417000 1.0079 - 8235 SYS 2745 TIP3 H2 A 0.417000 1.0079 - 8236 SYS 2746 TIP3 O1 C -0.834000 15.9994 - 8237 SYS 2746 TIP3 H1 A 0.417000 1.0079 - 8238 SYS 2746 TIP3 H2 A 0.417000 1.0079 - 8239 SYS 2747 TIP3 O1 C -0.834000 15.9994 - 8240 SYS 2747 TIP3 H1 A 0.417000 1.0079 - 8241 SYS 2747 TIP3 H2 A 0.417000 1.0079 - 8242 SYS 2748 TIP3 O1 C -0.834000 15.9994 - 8243 SYS 2748 TIP3 H1 A 0.417000 1.0079 - 8244 SYS 2748 TIP3 H2 A 0.417000 1.0079 - 8245 SYS 2749 TIP3 O1 C -0.834000 15.9994 - 8246 SYS 2749 TIP3 H1 A 0.417000 1.0079 - 8247 SYS 2749 TIP3 H2 A 0.417000 1.0079 - 8248 SYS 2750 TIP3 O1 C -0.834000 15.9994 - 8249 SYS 2750 TIP3 H1 A 0.417000 1.0079 - 8250 SYS 2750 TIP3 H2 A 0.417000 1.0079 - 8251 SYS 2751 TIP3 O1 C -0.834000 15.9994 - 8252 SYS 2751 TIP3 H1 A 0.417000 1.0079 - 8253 SYS 2751 TIP3 H2 A 0.417000 1.0079 - 8254 SYS 2752 TIP3 O1 C -0.834000 15.9994 - 8255 SYS 2752 TIP3 H1 A 0.417000 1.0079 - 8256 SYS 2752 TIP3 H2 A 0.417000 1.0079 - 8257 SYS 2753 TIP3 O1 C -0.834000 15.9994 - 8258 SYS 2753 TIP3 H1 A 0.417000 1.0079 - 8259 SYS 2753 TIP3 H2 A 0.417000 1.0079 - 8260 SYS 2754 TIP3 O1 C -0.834000 15.9994 - 8261 SYS 2754 TIP3 H1 A 0.417000 1.0079 - 8262 SYS 2754 TIP3 H2 A 0.417000 1.0079 - 8263 SYS 2755 TIP3 O1 C -0.834000 15.9994 - 8264 SYS 2755 TIP3 H1 A 0.417000 1.0079 - 8265 SYS 2755 TIP3 H2 A 0.417000 1.0079 - 8266 SYS 2756 TIP3 O1 C -0.834000 15.9994 - 8267 SYS 2756 TIP3 H1 A 0.417000 1.0079 - 8268 SYS 2756 TIP3 H2 A 0.417000 1.0079 - 8269 SYS 2757 TIP3 O1 C -0.834000 15.9994 - 8270 SYS 2757 TIP3 H1 A 0.417000 1.0079 - 8271 SYS 2757 TIP3 H2 A 0.417000 1.0079 - 8272 SYS 2758 TIP3 O1 C -0.834000 15.9994 - 8273 SYS 2758 TIP3 H1 A 0.417000 1.0079 - 8274 SYS 2758 TIP3 H2 A 0.417000 1.0079 - 8275 SYS 2759 TIP3 O1 C -0.834000 15.9994 - 8276 SYS 2759 TIP3 H1 A 0.417000 1.0079 - 8277 SYS 2759 TIP3 H2 A 0.417000 1.0079 - 8278 SYS 2760 TIP3 O1 C -0.834000 15.9994 - 8279 SYS 2760 TIP3 H1 A 0.417000 1.0079 - 8280 SYS 2760 TIP3 H2 A 0.417000 1.0079 - 8281 SYS 2761 TIP3 O1 C -0.834000 15.9994 - 8282 SYS 2761 TIP3 H1 A 0.417000 1.0079 - 8283 SYS 2761 TIP3 H2 A 0.417000 1.0079 - 8284 SYS 2762 TIP3 O1 C -0.834000 15.9994 - 8285 SYS 2762 TIP3 H1 A 0.417000 1.0079 - 8286 SYS 2762 TIP3 H2 A 0.417000 1.0079 - 8287 SYS 2763 TIP3 O1 C -0.834000 15.9994 - 8288 SYS 2763 TIP3 H1 A 0.417000 1.0079 - 8289 SYS 2763 TIP3 H2 A 0.417000 1.0079 - 8290 SYS 2764 TIP3 O1 C -0.834000 15.9994 - 8291 SYS 2764 TIP3 H1 A 0.417000 1.0079 - 8292 SYS 2764 TIP3 H2 A 0.417000 1.0079 - 8293 SYS 2765 TIP3 O1 C -0.834000 15.9994 - 8294 SYS 2765 TIP3 H1 A 0.417000 1.0079 - 8295 SYS 2765 TIP3 H2 A 0.417000 1.0079 - 8296 SYS 2766 TIP3 O1 C -0.834000 15.9994 - 8297 SYS 2766 TIP3 H1 A 0.417000 1.0079 - 8298 SYS 2766 TIP3 H2 A 0.417000 1.0079 - 8299 SYS 2767 TIP3 O1 C -0.834000 15.9994 - 8300 SYS 2767 TIP3 H1 A 0.417000 1.0079 - 8301 SYS 2767 TIP3 H2 A 0.417000 1.0079 - 8302 SYS 2768 TIP3 O1 C -0.834000 15.9994 - 8303 SYS 2768 TIP3 H1 A 0.417000 1.0079 - 8304 SYS 2768 TIP3 H2 A 0.417000 1.0079 - 8305 SYS 2769 TIP3 O1 C -0.834000 15.9994 - 8306 SYS 2769 TIP3 H1 A 0.417000 1.0079 - 8307 SYS 2769 TIP3 H2 A 0.417000 1.0079 - 8308 SYS 2770 TIP3 O1 C -0.834000 15.9994 - 8309 SYS 2770 TIP3 H1 A 0.417000 1.0079 - 8310 SYS 2770 TIP3 H2 A 0.417000 1.0079 - 8311 SYS 2771 TIP3 O1 C -0.834000 15.9994 - 8312 SYS 2771 TIP3 H1 A 0.417000 1.0079 - 8313 SYS 2771 TIP3 H2 A 0.417000 1.0079 - 8314 SYS 2772 TIP3 O1 C -0.834000 15.9994 - 8315 SYS 2772 TIP3 H1 A 0.417000 1.0079 - 8316 SYS 2772 TIP3 H2 A 0.417000 1.0079 - 8317 SYS 2773 TIP3 O1 C -0.834000 15.9994 - 8318 SYS 2773 TIP3 H1 A 0.417000 1.0079 - 8319 SYS 2773 TIP3 H2 A 0.417000 1.0079 - 8320 SYS 2774 TIP3 O1 C -0.834000 15.9994 - 8321 SYS 2774 TIP3 H1 A 0.417000 1.0079 - 8322 SYS 2774 TIP3 H2 A 0.417000 1.0079 - 8323 SYS 2775 TIP3 O1 C -0.834000 15.9994 - 8324 SYS 2775 TIP3 H1 A 0.417000 1.0079 - 8325 SYS 2775 TIP3 H2 A 0.417000 1.0079 - 8326 SYS 2776 TIP3 O1 C -0.834000 15.9994 - 8327 SYS 2776 TIP3 H1 A 0.417000 1.0079 - 8328 SYS 2776 TIP3 H2 A 0.417000 1.0079 - 8329 SYS 2777 TIP3 O1 C -0.834000 15.9994 - 8330 SYS 2777 TIP3 H1 A 0.417000 1.0079 - 8331 SYS 2777 TIP3 H2 A 0.417000 1.0079 - 8332 SYS 2778 TIP3 O1 C -0.834000 15.9994 - 8333 SYS 2778 TIP3 H1 A 0.417000 1.0079 - 8334 SYS 2778 TIP3 H2 A 0.417000 1.0079 - 8335 SYS 2779 TIP3 O1 C -0.834000 15.9994 - 8336 SYS 2779 TIP3 H1 A 0.417000 1.0079 - 8337 SYS 2779 TIP3 H2 A 0.417000 1.0079 - 8338 SYS 2780 TIP3 O1 C -0.834000 15.9994 - 8339 SYS 2780 TIP3 H1 A 0.417000 1.0079 - 8340 SYS 2780 TIP3 H2 A 0.417000 1.0079 - 8341 SYS 2781 TIP3 O1 C -0.834000 15.9994 - 8342 SYS 2781 TIP3 H1 A 0.417000 1.0079 - 8343 SYS 2781 TIP3 H2 A 0.417000 1.0079 - 8344 SYS 2782 TIP3 O1 C -0.834000 15.9994 - 8345 SYS 2782 TIP3 H1 A 0.417000 1.0079 - 8346 SYS 2782 TIP3 H2 A 0.417000 1.0079 - 8347 SYS 2783 TIP3 O1 C -0.834000 15.9994 - 8348 SYS 2783 TIP3 H1 A 0.417000 1.0079 - 8349 SYS 2783 TIP3 H2 A 0.417000 1.0079 - 8350 SYS 2784 TIP3 O1 C -0.834000 15.9994 - 8351 SYS 2784 TIP3 H1 A 0.417000 1.0079 - 8352 SYS 2784 TIP3 H2 A 0.417000 1.0079 - 8353 SYS 2785 TIP3 O1 C -0.834000 15.9994 - 8354 SYS 2785 TIP3 H1 A 0.417000 1.0079 - 8355 SYS 2785 TIP3 H2 A 0.417000 1.0079 - 8356 SYS 2786 TIP3 O1 C -0.834000 15.9994 - 8357 SYS 2786 TIP3 H1 A 0.417000 1.0079 - 8358 SYS 2786 TIP3 H2 A 0.417000 1.0079 - 8359 SYS 2787 TIP3 O1 C -0.834000 15.9994 - 8360 SYS 2787 TIP3 H1 A 0.417000 1.0079 - 8361 SYS 2787 TIP3 H2 A 0.417000 1.0079 - 8362 SYS 2788 TIP3 O1 C -0.834000 15.9994 - 8363 SYS 2788 TIP3 H1 A 0.417000 1.0079 - 8364 SYS 2788 TIP3 H2 A 0.417000 1.0079 - 8365 SYS 2789 TIP3 O1 C -0.834000 15.9994 - 8366 SYS 2789 TIP3 H1 A 0.417000 1.0079 - 8367 SYS 2789 TIP3 H2 A 0.417000 1.0079 - 8368 SYS 2790 TIP3 O1 C -0.834000 15.9994 - 8369 SYS 2790 TIP3 H1 A 0.417000 1.0079 - 8370 SYS 2790 TIP3 H2 A 0.417000 1.0079 - 8371 SYS 2791 TIP3 O1 C -0.834000 15.9994 - 8372 SYS 2791 TIP3 H1 A 0.417000 1.0079 - 8373 SYS 2791 TIP3 H2 A 0.417000 1.0079 - 8374 SYS 2792 TIP3 O1 C -0.834000 15.9994 - 8375 SYS 2792 TIP3 H1 A 0.417000 1.0079 - 8376 SYS 2792 TIP3 H2 A 0.417000 1.0079 - 8377 SYS 2793 TIP3 O1 C -0.834000 15.9994 - 8378 SYS 2793 TIP3 H1 A 0.417000 1.0079 - 8379 SYS 2793 TIP3 H2 A 0.417000 1.0079 - 8380 SYS 2794 TIP3 O1 C -0.834000 15.9994 - 8381 SYS 2794 TIP3 H1 A 0.417000 1.0079 - 8382 SYS 2794 TIP3 H2 A 0.417000 1.0079 - 8383 SYS 2795 TIP3 O1 C -0.834000 15.9994 - 8384 SYS 2795 TIP3 H1 A 0.417000 1.0079 - 8385 SYS 2795 TIP3 H2 A 0.417000 1.0079 - 8386 SYS 2796 TIP3 O1 C -0.834000 15.9994 - 8387 SYS 2796 TIP3 H1 A 0.417000 1.0079 - 8388 SYS 2796 TIP3 H2 A 0.417000 1.0079 - 8389 SYS 2797 TIP3 O1 C -0.834000 15.9994 - 8390 SYS 2797 TIP3 H1 A 0.417000 1.0079 - 8391 SYS 2797 TIP3 H2 A 0.417000 1.0079 - 8392 SYS 2798 TIP3 O1 C -0.834000 15.9994 - 8393 SYS 2798 TIP3 H1 A 0.417000 1.0079 - 8394 SYS 2798 TIP3 H2 A 0.417000 1.0079 - 8395 SYS 2799 TIP3 O1 C -0.834000 15.9994 - 8396 SYS 2799 TIP3 H1 A 0.417000 1.0079 - 8397 SYS 2799 TIP3 H2 A 0.417000 1.0079 - 8398 SYS 2800 TIP3 O1 C -0.834000 15.9994 - 8399 SYS 2800 TIP3 H1 A 0.417000 1.0079 - 8400 SYS 2800 TIP3 H2 A 0.417000 1.0079 - 8401 SYS 2801 TIP3 O1 C -0.834000 15.9994 - 8402 SYS 2801 TIP3 H1 A 0.417000 1.0079 - 8403 SYS 2801 TIP3 H2 A 0.417000 1.0079 - 8404 SYS 2802 TIP3 O1 C -0.834000 15.9994 - 8405 SYS 2802 TIP3 H1 A 0.417000 1.0079 - 8406 SYS 2802 TIP3 H2 A 0.417000 1.0079 - 8407 SYS 2803 TIP3 O1 C -0.834000 15.9994 - 8408 SYS 2803 TIP3 H1 A 0.417000 1.0079 - 8409 SYS 2803 TIP3 H2 A 0.417000 1.0079 - 8410 SYS 2804 TIP3 O1 C -0.834000 15.9994 - 8411 SYS 2804 TIP3 H1 A 0.417000 1.0079 - 8412 SYS 2804 TIP3 H2 A 0.417000 1.0079 - 8413 SYS 2805 TIP3 O1 C -0.834000 15.9994 - 8414 SYS 2805 TIP3 H1 A 0.417000 1.0079 - 8415 SYS 2805 TIP3 H2 A 0.417000 1.0079 - 8416 SYS 2806 TIP3 O1 C -0.834000 15.9994 - 8417 SYS 2806 TIP3 H1 A 0.417000 1.0079 - 8418 SYS 2806 TIP3 H2 A 0.417000 1.0079 - 8419 SYS 2807 TIP3 O1 C -0.834000 15.9994 - 8420 SYS 2807 TIP3 H1 A 0.417000 1.0079 - 8421 SYS 2807 TIP3 H2 A 0.417000 1.0079 - 8422 SYS 2808 TIP3 O1 C -0.834000 15.9994 - 8423 SYS 2808 TIP3 H1 A 0.417000 1.0079 - 8424 SYS 2808 TIP3 H2 A 0.417000 1.0079 - 8425 SYS 2809 TIP3 O1 C -0.834000 15.9994 - 8426 SYS 2809 TIP3 H1 A 0.417000 1.0079 - 8427 SYS 2809 TIP3 H2 A 0.417000 1.0079 - 8428 SYS 2810 TIP3 O1 C -0.834000 15.9994 - 8429 SYS 2810 TIP3 H1 A 0.417000 1.0079 - 8430 SYS 2810 TIP3 H2 A 0.417000 1.0079 - 8431 SYS 2811 TIP3 O1 C -0.834000 15.9994 - 8432 SYS 2811 TIP3 H1 A 0.417000 1.0079 - 8433 SYS 2811 TIP3 H2 A 0.417000 1.0079 - 8434 SYS 2812 TIP3 O1 C -0.834000 15.9994 - 8435 SYS 2812 TIP3 H1 A 0.417000 1.0079 - 8436 SYS 2812 TIP3 H2 A 0.417000 1.0079 - 8437 SYS 2813 TIP3 O1 C -0.834000 15.9994 - 8438 SYS 2813 TIP3 H1 A 0.417000 1.0079 - 8439 SYS 2813 TIP3 H2 A 0.417000 1.0079 - 8440 SYS 2814 TIP3 O1 C -0.834000 15.9994 - 8441 SYS 2814 TIP3 H1 A 0.417000 1.0079 - 8442 SYS 2814 TIP3 H2 A 0.417000 1.0079 - 8443 SYS 2815 TIP3 O1 C -0.834000 15.9994 - 8444 SYS 2815 TIP3 H1 A 0.417000 1.0079 - 8445 SYS 2815 TIP3 H2 A 0.417000 1.0079 - 8446 SYS 2816 TIP3 O1 C -0.834000 15.9994 - 8447 SYS 2816 TIP3 H1 A 0.417000 1.0079 - 8448 SYS 2816 TIP3 H2 A 0.417000 1.0079 - 8449 SYS 2817 TIP3 O1 C -0.834000 15.9994 - 8450 SYS 2817 TIP3 H1 A 0.417000 1.0079 - 8451 SYS 2817 TIP3 H2 A 0.417000 1.0079 - 8452 SYS 2818 TIP3 O1 C -0.834000 15.9994 - 8453 SYS 2818 TIP3 H1 A 0.417000 1.0079 - 8454 SYS 2818 TIP3 H2 A 0.417000 1.0079 - 8455 SYS 2819 TIP3 O1 C -0.834000 15.9994 - 8456 SYS 2819 TIP3 H1 A 0.417000 1.0079 - 8457 SYS 2819 TIP3 H2 A 0.417000 1.0079 - 8458 SYS 2820 TIP3 O1 C -0.834000 15.9994 - 8459 SYS 2820 TIP3 H1 A 0.417000 1.0079 - 8460 SYS 2820 TIP3 H2 A 0.417000 1.0079 - 8461 SYS 2821 TIP3 O1 C -0.834000 15.9994 - 8462 SYS 2821 TIP3 H1 A 0.417000 1.0079 - 8463 SYS 2821 TIP3 H2 A 0.417000 1.0079 - 8464 SYS 2822 TIP3 O1 C -0.834000 15.9994 - 8465 SYS 2822 TIP3 H1 A 0.417000 1.0079 - 8466 SYS 2822 TIP3 H2 A 0.417000 1.0079 - 8467 SYS 2823 TIP3 O1 C -0.834000 15.9994 - 8468 SYS 2823 TIP3 H1 A 0.417000 1.0079 - 8469 SYS 2823 TIP3 H2 A 0.417000 1.0079 - 8470 SYS 2824 TIP3 O1 C -0.834000 15.9994 - 8471 SYS 2824 TIP3 H1 A 0.417000 1.0079 - 8472 SYS 2824 TIP3 H2 A 0.417000 1.0079 - 8473 SYS 2825 TIP3 O1 C -0.834000 15.9994 - 8474 SYS 2825 TIP3 H1 A 0.417000 1.0079 - 8475 SYS 2825 TIP3 H2 A 0.417000 1.0079 - 8476 SYS 2826 TIP3 O1 C -0.834000 15.9994 - 8477 SYS 2826 TIP3 H1 A 0.417000 1.0079 - 8478 SYS 2826 TIP3 H2 A 0.417000 1.0079 - 8479 SYS 2827 TIP3 O1 C -0.834000 15.9994 - 8480 SYS 2827 TIP3 H1 A 0.417000 1.0079 - 8481 SYS 2827 TIP3 H2 A 0.417000 1.0079 - 8482 SYS 2828 TIP3 O1 C -0.834000 15.9994 - 8483 SYS 2828 TIP3 H1 A 0.417000 1.0079 - 8484 SYS 2828 TIP3 H2 A 0.417000 1.0079 - 8485 SYS 2829 TIP3 O1 C -0.834000 15.9994 - 8486 SYS 2829 TIP3 H1 A 0.417000 1.0079 - 8487 SYS 2829 TIP3 H2 A 0.417000 1.0079 - 8488 SYS 2830 TIP3 O1 C -0.834000 15.9994 - 8489 SYS 2830 TIP3 H1 A 0.417000 1.0079 - 8490 SYS 2830 TIP3 H2 A 0.417000 1.0079 - 8491 SYS 2831 TIP3 O1 C -0.834000 15.9994 - 8492 SYS 2831 TIP3 H1 A 0.417000 1.0079 - 8493 SYS 2831 TIP3 H2 A 0.417000 1.0079 - 8494 SYS 2832 TIP3 O1 C -0.834000 15.9994 - 8495 SYS 2832 TIP3 H1 A 0.417000 1.0079 - 8496 SYS 2832 TIP3 H2 A 0.417000 1.0079 - 8497 SYS 2833 TIP3 O1 C -0.834000 15.9994 - 8498 SYS 2833 TIP3 H1 A 0.417000 1.0079 - 8499 SYS 2833 TIP3 H2 A 0.417000 1.0079 - 8500 SYS 2834 TIP3 O1 C -0.834000 15.9994 - 8501 SYS 2834 TIP3 H1 A 0.417000 1.0079 - 8502 SYS 2834 TIP3 H2 A 0.417000 1.0079 - 8503 SYS 2835 TIP3 O1 C -0.834000 15.9994 - 8504 SYS 2835 TIP3 H1 A 0.417000 1.0079 - 8505 SYS 2835 TIP3 H2 A 0.417000 1.0079 - 8506 SYS 2836 TIP3 O1 C -0.834000 15.9994 - 8507 SYS 2836 TIP3 H1 A 0.417000 1.0079 - 8508 SYS 2836 TIP3 H2 A 0.417000 1.0079 - 8509 SYS 2837 TIP3 O1 C -0.834000 15.9994 - 8510 SYS 2837 TIP3 H1 A 0.417000 1.0079 - 8511 SYS 2837 TIP3 H2 A 0.417000 1.0079 - 8512 SYS 2838 TIP3 O1 C -0.834000 15.9994 - 8513 SYS 2838 TIP3 H1 A 0.417000 1.0079 - 8514 SYS 2838 TIP3 H2 A 0.417000 1.0079 - 8515 SYS 2839 TIP3 O1 C -0.834000 15.9994 - 8516 SYS 2839 TIP3 H1 A 0.417000 1.0079 - 8517 SYS 2839 TIP3 H2 A 0.417000 1.0079 - 8518 SYS 2840 TIP3 O1 C -0.834000 15.9994 - 8519 SYS 2840 TIP3 H1 A 0.417000 1.0079 - 8520 SYS 2840 TIP3 H2 A 0.417000 1.0079 - 8521 SYS 2841 TIP3 O1 C -0.834000 15.9994 - 8522 SYS 2841 TIP3 H1 A 0.417000 1.0079 - 8523 SYS 2841 TIP3 H2 A 0.417000 1.0079 - 8524 SYS 2842 TIP3 O1 C -0.834000 15.9994 - 8525 SYS 2842 TIP3 H1 A 0.417000 1.0079 - 8526 SYS 2842 TIP3 H2 A 0.417000 1.0079 - 8527 SYS 2843 TIP3 O1 C -0.834000 15.9994 - 8528 SYS 2843 TIP3 H1 A 0.417000 1.0079 - 8529 SYS 2843 TIP3 H2 A 0.417000 1.0079 - 8530 SYS 2844 TIP3 O1 C -0.834000 15.9994 - 8531 SYS 2844 TIP3 H1 A 0.417000 1.0079 - 8532 SYS 2844 TIP3 H2 A 0.417000 1.0079 - 8533 SYS 2845 TIP3 O1 C -0.834000 15.9994 - 8534 SYS 2845 TIP3 H1 A 0.417000 1.0079 - 8535 SYS 2845 TIP3 H2 A 0.417000 1.0079 - 8536 SYS 2846 TIP3 O1 C -0.834000 15.9994 - 8537 SYS 2846 TIP3 H1 A 0.417000 1.0079 - 8538 SYS 2846 TIP3 H2 A 0.417000 1.0079 - 8539 SYS 2847 TIP3 O1 C -0.834000 15.9994 - 8540 SYS 2847 TIP3 H1 A 0.417000 1.0079 - 8541 SYS 2847 TIP3 H2 A 0.417000 1.0079 - 8542 SYS 2848 TIP3 O1 C -0.834000 15.9994 - 8543 SYS 2848 TIP3 H1 A 0.417000 1.0079 - 8544 SYS 2848 TIP3 H2 A 0.417000 1.0079 - 8545 SYS 2849 TIP3 O1 C -0.834000 15.9994 - 8546 SYS 2849 TIP3 H1 A 0.417000 1.0079 - 8547 SYS 2849 TIP3 H2 A 0.417000 1.0079 - 8548 SYS 2850 TIP3 O1 C -0.834000 15.9994 - 8549 SYS 2850 TIP3 H1 A 0.417000 1.0079 - 8550 SYS 2850 TIP3 H2 A 0.417000 1.0079 - 8551 SYS 2851 TIP3 O1 C -0.834000 15.9994 - 8552 SYS 2851 TIP3 H1 A 0.417000 1.0079 - 8553 SYS 2851 TIP3 H2 A 0.417000 1.0079 - 8554 SYS 2852 TIP3 O1 C -0.834000 15.9994 - 8555 SYS 2852 TIP3 H1 A 0.417000 1.0079 - 8556 SYS 2852 TIP3 H2 A 0.417000 1.0079 - 8557 SYS 2853 TIP3 O1 C -0.834000 15.9994 - 8558 SYS 2853 TIP3 H1 A 0.417000 1.0079 - 8559 SYS 2853 TIP3 H2 A 0.417000 1.0079 - 8560 SYS 2854 TIP3 O1 C -0.834000 15.9994 - 8561 SYS 2854 TIP3 H1 A 0.417000 1.0079 - 8562 SYS 2854 TIP3 H2 A 0.417000 1.0079 - 8563 SYS 2855 TIP3 O1 C -0.834000 15.9994 - 8564 SYS 2855 TIP3 H1 A 0.417000 1.0079 - 8565 SYS 2855 TIP3 H2 A 0.417000 1.0079 - 8566 SYS 2856 TIP3 O1 C -0.834000 15.9994 - 8567 SYS 2856 TIP3 H1 A 0.417000 1.0079 - 8568 SYS 2856 TIP3 H2 A 0.417000 1.0079 - 8569 SYS 2857 TIP3 O1 C -0.834000 15.9994 - 8570 SYS 2857 TIP3 H1 A 0.417000 1.0079 - 8571 SYS 2857 TIP3 H2 A 0.417000 1.0079 - 8572 SYS 2858 TIP3 O1 C -0.834000 15.9994 - 8573 SYS 2858 TIP3 H1 A 0.417000 1.0079 - 8574 SYS 2858 TIP3 H2 A 0.417000 1.0079 - 8575 SYS 2859 TIP3 O1 C -0.834000 15.9994 - 8576 SYS 2859 TIP3 H1 A 0.417000 1.0079 - 8577 SYS 2859 TIP3 H2 A 0.417000 1.0079 - 8578 SYS 2860 TIP3 O1 C -0.834000 15.9994 - 8579 SYS 2860 TIP3 H1 A 0.417000 1.0079 - 8580 SYS 2860 TIP3 H2 A 0.417000 1.0079 - 8581 SYS 2861 TIP3 O1 C -0.834000 15.9994 - 8582 SYS 2861 TIP3 H1 A 0.417000 1.0079 - 8583 SYS 2861 TIP3 H2 A 0.417000 1.0079 - 8584 SYS 2862 TIP3 O1 C -0.834000 15.9994 - 8585 SYS 2862 TIP3 H1 A 0.417000 1.0079 - 8586 SYS 2862 TIP3 H2 A 0.417000 1.0079 - 8587 SYS 2863 TIP3 O1 C -0.834000 15.9994 - 8588 SYS 2863 TIP3 H1 A 0.417000 1.0079 - 8589 SYS 2863 TIP3 H2 A 0.417000 1.0079 - 8590 SYS 2864 TIP3 O1 C -0.834000 15.9994 - 8591 SYS 2864 TIP3 H1 A 0.417000 1.0079 - 8592 SYS 2864 TIP3 H2 A 0.417000 1.0079 - 8593 SYS 2865 TIP3 O1 C -0.834000 15.9994 - 8594 SYS 2865 TIP3 H1 A 0.417000 1.0079 - 8595 SYS 2865 TIP3 H2 A 0.417000 1.0079 - 8596 SYS 2866 TIP3 O1 C -0.834000 15.9994 - 8597 SYS 2866 TIP3 H1 A 0.417000 1.0079 - 8598 SYS 2866 TIP3 H2 A 0.417000 1.0079 - 8599 SYS 2867 TIP3 O1 C -0.834000 15.9994 - 8600 SYS 2867 TIP3 H1 A 0.417000 1.0079 - 8601 SYS 2867 TIP3 H2 A 0.417000 1.0079 - 8602 SYS 2868 TIP3 O1 C -0.834000 15.9994 - 8603 SYS 2868 TIP3 H1 A 0.417000 1.0079 - 8604 SYS 2868 TIP3 H2 A 0.417000 1.0079 - 8605 SYS 2869 TIP3 O1 C -0.834000 15.9994 - 8606 SYS 2869 TIP3 H1 A 0.417000 1.0079 - 8607 SYS 2869 TIP3 H2 A 0.417000 1.0079 - 8608 SYS 2870 TIP3 O1 C -0.834000 15.9994 - 8609 SYS 2870 TIP3 H1 A 0.417000 1.0079 - 8610 SYS 2870 TIP3 H2 A 0.417000 1.0079 - 8611 SYS 2871 TIP3 O1 C -0.834000 15.9994 - 8612 SYS 2871 TIP3 H1 A 0.417000 1.0079 - 8613 SYS 2871 TIP3 H2 A 0.417000 1.0079 - 8614 SYS 2872 TIP3 O1 C -0.834000 15.9994 - 8615 SYS 2872 TIP3 H1 A 0.417000 1.0079 - 8616 SYS 2872 TIP3 H2 A 0.417000 1.0079 - 8617 SYS 2873 TIP3 O1 C -0.834000 15.9994 - 8618 SYS 2873 TIP3 H1 A 0.417000 1.0079 - 8619 SYS 2873 TIP3 H2 A 0.417000 1.0079 - 8620 SYS 2874 TIP3 O1 C -0.834000 15.9994 - 8621 SYS 2874 TIP3 H1 A 0.417000 1.0079 - 8622 SYS 2874 TIP3 H2 A 0.417000 1.0079 - 8623 SYS 2875 TIP3 O1 C -0.834000 15.9994 - 8624 SYS 2875 TIP3 H1 A 0.417000 1.0079 - 8625 SYS 2875 TIP3 H2 A 0.417000 1.0079 - 8626 SYS 2876 TIP3 O1 C -0.834000 15.9994 - 8627 SYS 2876 TIP3 H1 A 0.417000 1.0079 - 8628 SYS 2876 TIP3 H2 A 0.417000 1.0079 - 8629 SYS 2877 TIP3 O1 C -0.834000 15.9994 - 8630 SYS 2877 TIP3 H1 A 0.417000 1.0079 - 8631 SYS 2877 TIP3 H2 A 0.417000 1.0079 - 8632 SYS 2878 TIP3 O1 C -0.834000 15.9994 - 8633 SYS 2878 TIP3 H1 A 0.417000 1.0079 - 8634 SYS 2878 TIP3 H2 A 0.417000 1.0079 - 8635 SYS 2879 TIP3 O1 C -0.834000 15.9994 - 8636 SYS 2879 TIP3 H1 A 0.417000 1.0079 - 8637 SYS 2879 TIP3 H2 A 0.417000 1.0079 - 8638 SYS 2880 TIP3 O1 C -0.834000 15.9994 - 8639 SYS 2880 TIP3 H1 A 0.417000 1.0079 - 8640 SYS 2880 TIP3 H2 A 0.417000 1.0079 - 8641 SYS 2881 TIP3 O1 C -0.834000 15.9994 - 8642 SYS 2881 TIP3 H1 A 0.417000 1.0079 - 8643 SYS 2881 TIP3 H2 A 0.417000 1.0079 - 8644 SYS 2882 TIP3 O1 C -0.834000 15.9994 - 8645 SYS 2882 TIP3 H1 A 0.417000 1.0079 - 8646 SYS 2882 TIP3 H2 A 0.417000 1.0079 - 8647 SYS 2883 TIP3 O1 C -0.834000 15.9994 - 8648 SYS 2883 TIP3 H1 A 0.417000 1.0079 - 8649 SYS 2883 TIP3 H2 A 0.417000 1.0079 - 8650 SYS 2884 TIP3 O1 C -0.834000 15.9994 - 8651 SYS 2884 TIP3 H1 A 0.417000 1.0079 - 8652 SYS 2884 TIP3 H2 A 0.417000 1.0079 - 8653 SYS 2885 TIP3 O1 C -0.834000 15.9994 - 8654 SYS 2885 TIP3 H1 A 0.417000 1.0079 - 8655 SYS 2885 TIP3 H2 A 0.417000 1.0079 - 8656 SYS 2886 TIP3 O1 C -0.834000 15.9994 - 8657 SYS 2886 TIP3 H1 A 0.417000 1.0079 - 8658 SYS 2886 TIP3 H2 A 0.417000 1.0079 - 8659 SYS 2887 TIP3 O1 C -0.834000 15.9994 - 8660 SYS 2887 TIP3 H1 A 0.417000 1.0079 - 8661 SYS 2887 TIP3 H2 A 0.417000 1.0079 - 8662 SYS 2888 TIP3 O1 C -0.834000 15.9994 - 8663 SYS 2888 TIP3 H1 A 0.417000 1.0079 - 8664 SYS 2888 TIP3 H2 A 0.417000 1.0079 - 8665 SYS 2889 TIP3 O1 C -0.834000 15.9994 - 8666 SYS 2889 TIP3 H1 A 0.417000 1.0079 - 8667 SYS 2889 TIP3 H2 A 0.417000 1.0079 - 8668 SYS 2890 TIP3 O1 C -0.834000 15.9994 - 8669 SYS 2890 TIP3 H1 A 0.417000 1.0079 - 8670 SYS 2890 TIP3 H2 A 0.417000 1.0079 - 8671 SYS 2891 TIP3 O1 C -0.834000 15.9994 - 8672 SYS 2891 TIP3 H1 A 0.417000 1.0079 - 8673 SYS 2891 TIP3 H2 A 0.417000 1.0079 - 8674 SYS 2892 TIP3 O1 C -0.834000 15.9994 - 8675 SYS 2892 TIP3 H1 A 0.417000 1.0079 - 8676 SYS 2892 TIP3 H2 A 0.417000 1.0079 - 8677 SYS 2893 TIP3 O1 C -0.834000 15.9994 - 8678 SYS 2893 TIP3 H1 A 0.417000 1.0079 - 8679 SYS 2893 TIP3 H2 A 0.417000 1.0079 - 8680 SYS 2894 TIP3 O1 C -0.834000 15.9994 - 8681 SYS 2894 TIP3 H1 A 0.417000 1.0079 - 8682 SYS 2894 TIP3 H2 A 0.417000 1.0079 - 8683 SYS 2895 TIP3 O1 C -0.834000 15.9994 - 8684 SYS 2895 TIP3 H1 A 0.417000 1.0079 - 8685 SYS 2895 TIP3 H2 A 0.417000 1.0079 - 8686 SYS 2896 TIP3 O1 C -0.834000 15.9994 - 8687 SYS 2896 TIP3 H1 A 0.417000 1.0079 - 8688 SYS 2896 TIP3 H2 A 0.417000 1.0079 - 8689 SYS 2897 TIP3 O1 C -0.834000 15.9994 - 8690 SYS 2897 TIP3 H1 A 0.417000 1.0079 - 8691 SYS 2897 TIP3 H2 A 0.417000 1.0079 - 8692 SYS 2898 TIP3 O1 C -0.834000 15.9994 - 8693 SYS 2898 TIP3 H1 A 0.417000 1.0079 - 8694 SYS 2898 TIP3 H2 A 0.417000 1.0079 - 8695 SYS 2899 TIP3 O1 C -0.834000 15.9994 - 8696 SYS 2899 TIP3 H1 A 0.417000 1.0079 - 8697 SYS 2899 TIP3 H2 A 0.417000 1.0079 - 8698 SYS 2900 TIP3 O1 C -0.834000 15.9994 - 8699 SYS 2900 TIP3 H1 A 0.417000 1.0079 - 8700 SYS 2900 TIP3 H2 A 0.417000 1.0079 - 8701 SYS 2901 TIP3 O1 C -0.834000 15.9994 - 8702 SYS 2901 TIP3 H1 A 0.417000 1.0079 - 8703 SYS 2901 TIP3 H2 A 0.417000 1.0079 - 8704 SYS 2902 TIP3 O1 C -0.834000 15.9994 - 8705 SYS 2902 TIP3 H1 A 0.417000 1.0079 - 8706 SYS 2902 TIP3 H2 A 0.417000 1.0079 - 8707 SYS 2903 TIP3 O1 C -0.834000 15.9994 - 8708 SYS 2903 TIP3 H1 A 0.417000 1.0079 - 8709 SYS 2903 TIP3 H2 A 0.417000 1.0079 - 8710 SYS 2904 TIP3 O1 C -0.834000 15.9994 - 8711 SYS 2904 TIP3 H1 A 0.417000 1.0079 - 8712 SYS 2904 TIP3 H2 A 0.417000 1.0079 - 8713 SYS 2905 TIP3 O1 C -0.834000 15.9994 - 8714 SYS 2905 TIP3 H1 A 0.417000 1.0079 - 8715 SYS 2905 TIP3 H2 A 0.417000 1.0079 - 8716 SYS 2906 TIP3 O1 C -0.834000 15.9994 - 8717 SYS 2906 TIP3 H1 A 0.417000 1.0079 - 8718 SYS 2906 TIP3 H2 A 0.417000 1.0079 - 8719 SYS 2907 TIP3 O1 C -0.834000 15.9994 - 8720 SYS 2907 TIP3 H1 A 0.417000 1.0079 - 8721 SYS 2907 TIP3 H2 A 0.417000 1.0079 - 8722 SYS 2908 TIP3 O1 C -0.834000 15.9994 - 8723 SYS 2908 TIP3 H1 A 0.417000 1.0079 - 8724 SYS 2908 TIP3 H2 A 0.417000 1.0079 - 8725 SYS 2909 TIP3 O1 C -0.834000 15.9994 - 8726 SYS 2909 TIP3 H1 A 0.417000 1.0079 - 8727 SYS 2909 TIP3 H2 A 0.417000 1.0079 - 8728 SYS 2910 TIP3 O1 C -0.834000 15.9994 - 8729 SYS 2910 TIP3 H1 A 0.417000 1.0079 - 8730 SYS 2910 TIP3 H2 A 0.417000 1.0079 - 8731 SYS 2911 TIP3 O1 C -0.834000 15.9994 - 8732 SYS 2911 TIP3 H1 A 0.417000 1.0079 - 8733 SYS 2911 TIP3 H2 A 0.417000 1.0079 - 8734 SYS 2912 TIP3 O1 C -0.834000 15.9994 - 8735 SYS 2912 TIP3 H1 A 0.417000 1.0079 - 8736 SYS 2912 TIP3 H2 A 0.417000 1.0079 - 8737 SYS 2913 TIP3 O1 C -0.834000 15.9994 - 8738 SYS 2913 TIP3 H1 A 0.417000 1.0079 - 8739 SYS 2913 TIP3 H2 A 0.417000 1.0079 - 8740 SYS 2914 TIP3 O1 C -0.834000 15.9994 - 8741 SYS 2914 TIP3 H1 A 0.417000 1.0079 - 8742 SYS 2914 TIP3 H2 A 0.417000 1.0079 - 8743 SYS 2915 TIP3 O1 C -0.834000 15.9994 - 8744 SYS 2915 TIP3 H1 A 0.417000 1.0079 - 8745 SYS 2915 TIP3 H2 A 0.417000 1.0079 - 8746 SYS 2916 TIP3 O1 C -0.834000 15.9994 - 8747 SYS 2916 TIP3 H1 A 0.417000 1.0079 - 8748 SYS 2916 TIP3 H2 A 0.417000 1.0079 - 8749 SYS 2917 TIP3 O1 C -0.834000 15.9994 - 8750 SYS 2917 TIP3 H1 A 0.417000 1.0079 - 8751 SYS 2917 TIP3 H2 A 0.417000 1.0079 - 8752 SYS 2918 TIP3 O1 C -0.834000 15.9994 - 8753 SYS 2918 TIP3 H1 A 0.417000 1.0079 - 8754 SYS 2918 TIP3 H2 A 0.417000 1.0079 - 8755 SYS 2919 TIP3 O1 C -0.834000 15.9994 - 8756 SYS 2919 TIP3 H1 A 0.417000 1.0079 - 8757 SYS 2919 TIP3 H2 A 0.417000 1.0079 - 8758 SYS 2920 TIP3 O1 C -0.834000 15.9994 - 8759 SYS 2920 TIP3 H1 A 0.417000 1.0079 - 8760 SYS 2920 TIP3 H2 A 0.417000 1.0079 - 8761 SYS 2921 TIP3 O1 C -0.834000 15.9994 - 8762 SYS 2921 TIP3 H1 A 0.417000 1.0079 - 8763 SYS 2921 TIP3 H2 A 0.417000 1.0079 - 8764 SYS 2922 TIP3 O1 C -0.834000 15.9994 - 8765 SYS 2922 TIP3 H1 A 0.417000 1.0079 - 8766 SYS 2922 TIP3 H2 A 0.417000 1.0079 - 8767 SYS 2923 TIP3 O1 C -0.834000 15.9994 - 8768 SYS 2923 TIP3 H1 A 0.417000 1.0079 - 8769 SYS 2923 TIP3 H2 A 0.417000 1.0079 - 8770 SYS 2924 TIP3 O1 C -0.834000 15.9994 - 8771 SYS 2924 TIP3 H1 A 0.417000 1.0079 - 8772 SYS 2924 TIP3 H2 A 0.417000 1.0079 - 8773 SYS 2925 TIP3 O1 C -0.834000 15.9994 - 8774 SYS 2925 TIP3 H1 A 0.417000 1.0079 - 8775 SYS 2925 TIP3 H2 A 0.417000 1.0079 - 8776 SYS 2926 TIP3 O1 C -0.834000 15.9994 - 8777 SYS 2926 TIP3 H1 A 0.417000 1.0079 - 8778 SYS 2926 TIP3 H2 A 0.417000 1.0079 - 8779 SYS 2927 TIP3 O1 C -0.834000 15.9994 - 8780 SYS 2927 TIP3 H1 A 0.417000 1.0079 - 8781 SYS 2927 TIP3 H2 A 0.417000 1.0079 - 8782 SYS 2928 TIP3 O1 C -0.834000 15.9994 - 8783 SYS 2928 TIP3 H1 A 0.417000 1.0079 - 8784 SYS 2928 TIP3 H2 A 0.417000 1.0079 - 8785 SYS 2929 TIP3 O1 C -0.834000 15.9994 - 8786 SYS 2929 TIP3 H1 A 0.417000 1.0079 - 8787 SYS 2929 TIP3 H2 A 0.417000 1.0079 - 8788 SYS 2930 TIP3 O1 C -0.834000 15.9994 - 8789 SYS 2930 TIP3 H1 A 0.417000 1.0079 - 8790 SYS 2930 TIP3 H2 A 0.417000 1.0079 - 8791 SYS 2931 TIP3 O1 C -0.834000 15.9994 - 8792 SYS 2931 TIP3 H1 A 0.417000 1.0079 - 8793 SYS 2931 TIP3 H2 A 0.417000 1.0079 - 8794 SYS 2932 TIP3 O1 C -0.834000 15.9994 - 8795 SYS 2932 TIP3 H1 A 0.417000 1.0079 - 8796 SYS 2932 TIP3 H2 A 0.417000 1.0079 - 8797 SYS 2933 TIP3 O1 C -0.834000 15.9994 - 8798 SYS 2933 TIP3 H1 A 0.417000 1.0079 - 8799 SYS 2933 TIP3 H2 A 0.417000 1.0079 - 8800 SYS 2934 TIP3 O1 C -0.834000 15.9994 - 8801 SYS 2934 TIP3 H1 A 0.417000 1.0079 - 8802 SYS 2934 TIP3 H2 A 0.417000 1.0079 - 8803 SYS 2935 TIP3 O1 C -0.834000 15.9994 - 8804 SYS 2935 TIP3 H1 A 0.417000 1.0079 - 8805 SYS 2935 TIP3 H2 A 0.417000 1.0079 - 8806 SYS 2936 TIP3 O1 C -0.834000 15.9994 - 8807 SYS 2936 TIP3 H1 A 0.417000 1.0079 - 8808 SYS 2936 TIP3 H2 A 0.417000 1.0079 - 8809 SYS 2937 TIP3 O1 C -0.834000 15.9994 - 8810 SYS 2937 TIP3 H1 A 0.417000 1.0079 - 8811 SYS 2937 TIP3 H2 A 0.417000 1.0079 - 8812 SYS 2938 TIP3 O1 C -0.834000 15.9994 - 8813 SYS 2938 TIP3 H1 A 0.417000 1.0079 - 8814 SYS 2938 TIP3 H2 A 0.417000 1.0079 - 8815 SYS 2939 TIP3 O1 C -0.834000 15.9994 - 8816 SYS 2939 TIP3 H1 A 0.417000 1.0079 - 8817 SYS 2939 TIP3 H2 A 0.417000 1.0079 - 8818 SYS 2940 TIP3 O1 C -0.834000 15.9994 - 8819 SYS 2940 TIP3 H1 A 0.417000 1.0079 - 8820 SYS 2940 TIP3 H2 A 0.417000 1.0079 - 8821 SYS 2941 TIP3 O1 C -0.834000 15.9994 - 8822 SYS 2941 TIP3 H1 A 0.417000 1.0079 - 8823 SYS 2941 TIP3 H2 A 0.417000 1.0079 - 8824 SYS 2942 TIP3 O1 C -0.834000 15.9994 - 8825 SYS 2942 TIP3 H1 A 0.417000 1.0079 - 8826 SYS 2942 TIP3 H2 A 0.417000 1.0079 - 8827 SYS 2943 TIP3 O1 C -0.834000 15.9994 - 8828 SYS 2943 TIP3 H1 A 0.417000 1.0079 - 8829 SYS 2943 TIP3 H2 A 0.417000 1.0079 - 8830 SYS 2944 TIP3 O1 C -0.834000 15.9994 - 8831 SYS 2944 TIP3 H1 A 0.417000 1.0079 - 8832 SYS 2944 TIP3 H2 A 0.417000 1.0079 - 8833 SYS 2945 TIP3 O1 C -0.834000 15.9994 - 8834 SYS 2945 TIP3 H1 A 0.417000 1.0079 - 8835 SYS 2945 TIP3 H2 A 0.417000 1.0079 - 8836 SYS 2946 TIP3 O1 C -0.834000 15.9994 - 8837 SYS 2946 TIP3 H1 A 0.417000 1.0079 - 8838 SYS 2946 TIP3 H2 A 0.417000 1.0079 - 8839 SYS 2947 TIP3 O1 C -0.834000 15.9994 - 8840 SYS 2947 TIP3 H1 A 0.417000 1.0079 - 8841 SYS 2947 TIP3 H2 A 0.417000 1.0079 - 8842 SYS 2948 TIP3 O1 C -0.834000 15.9994 - 8843 SYS 2948 TIP3 H1 A 0.417000 1.0079 - 8844 SYS 2948 TIP3 H2 A 0.417000 1.0079 - 8845 SYS 2949 TIP3 O1 C -0.834000 15.9994 - 8846 SYS 2949 TIP3 H1 A 0.417000 1.0079 - 8847 SYS 2949 TIP3 H2 A 0.417000 1.0079 - 8848 SYS 2950 TIP3 O1 C -0.834000 15.9994 - 8849 SYS 2950 TIP3 H1 A 0.417000 1.0079 - 8850 SYS 2950 TIP3 H2 A 0.417000 1.0079 - 8851 SYS 2951 TIP3 O1 C -0.834000 15.9994 - 8852 SYS 2951 TIP3 H1 A 0.417000 1.0079 - 8853 SYS 2951 TIP3 H2 A 0.417000 1.0079 - 8854 SYS 2952 TIP3 O1 C -0.834000 15.9994 - 8855 SYS 2952 TIP3 H1 A 0.417000 1.0079 - 8856 SYS 2952 TIP3 H2 A 0.417000 1.0079 - 8857 SYS 2953 TIP3 O1 C -0.834000 15.9994 - 8858 SYS 2953 TIP3 H1 A 0.417000 1.0079 - 8859 SYS 2953 TIP3 H2 A 0.417000 1.0079 - 8860 SYS 2954 TIP3 O1 C -0.834000 15.9994 - 8861 SYS 2954 TIP3 H1 A 0.417000 1.0079 - 8862 SYS 2954 TIP3 H2 A 0.417000 1.0079 - 8863 SYS 2955 TIP3 O1 C -0.834000 15.9994 - 8864 SYS 2955 TIP3 H1 A 0.417000 1.0079 - 8865 SYS 2955 TIP3 H2 A 0.417000 1.0079 - 8866 SYS 2956 TIP3 O1 C -0.834000 15.9994 - 8867 SYS 2956 TIP3 H1 A 0.417000 1.0079 - 8868 SYS 2956 TIP3 H2 A 0.417000 1.0079 - 8869 SYS 2957 TIP3 O1 C -0.834000 15.9994 - 8870 SYS 2957 TIP3 H1 A 0.417000 1.0079 - 8871 SYS 2957 TIP3 H2 A 0.417000 1.0079 - 8872 SYS 2958 TIP3 O1 C -0.834000 15.9994 - 8873 SYS 2958 TIP3 H1 A 0.417000 1.0079 - 8874 SYS 2958 TIP3 H2 A 0.417000 1.0079 - 8875 SYS 2959 TIP3 O1 C -0.834000 15.9994 - 8876 SYS 2959 TIP3 H1 A 0.417000 1.0079 - 8877 SYS 2959 TIP3 H2 A 0.417000 1.0079 - 8878 SYS 2960 TIP3 O1 C -0.834000 15.9994 - 8879 SYS 2960 TIP3 H1 A 0.417000 1.0079 - 8880 SYS 2960 TIP3 H2 A 0.417000 1.0079 - 8881 SYS 2961 TIP3 O1 C -0.834000 15.9994 - 8882 SYS 2961 TIP3 H1 A 0.417000 1.0079 - 8883 SYS 2961 TIP3 H2 A 0.417000 1.0079 - 8884 SYS 2962 TIP3 O1 C -0.834000 15.9994 - 8885 SYS 2962 TIP3 H1 A 0.417000 1.0079 - 8886 SYS 2962 TIP3 H2 A 0.417000 1.0079 - 8887 SYS 2963 TIP3 O1 C -0.834000 15.9994 - 8888 SYS 2963 TIP3 H1 A 0.417000 1.0079 - 8889 SYS 2963 TIP3 H2 A 0.417000 1.0079 - 8890 SYS 2964 TIP3 O1 C -0.834000 15.9994 - 8891 SYS 2964 TIP3 H1 A 0.417000 1.0079 - 8892 SYS 2964 TIP3 H2 A 0.417000 1.0079 - 8893 SYS 2965 TIP3 O1 C -0.834000 15.9994 - 8894 SYS 2965 TIP3 H1 A 0.417000 1.0079 - 8895 SYS 2965 TIP3 H2 A 0.417000 1.0079 - 8896 SYS 2966 TIP3 O1 C -0.834000 15.9994 - 8897 SYS 2966 TIP3 H1 A 0.417000 1.0079 - 8898 SYS 2966 TIP3 H2 A 0.417000 1.0079 - 8899 SYS 2967 TIP3 O1 C -0.834000 15.9994 - 8900 SYS 2967 TIP3 H1 A 0.417000 1.0079 - 8901 SYS 2967 TIP3 H2 A 0.417000 1.0079 - 8902 SYS 2968 TIP3 O1 C -0.834000 15.9994 - 8903 SYS 2968 TIP3 H1 A 0.417000 1.0079 - 8904 SYS 2968 TIP3 H2 A 0.417000 1.0079 - 8905 SYS 2969 TIP3 O1 C -0.834000 15.9994 - 8906 SYS 2969 TIP3 H1 A 0.417000 1.0079 - 8907 SYS 2969 TIP3 H2 A 0.417000 1.0079 - 8908 SYS 2970 TIP3 O1 C -0.834000 15.9994 - 8909 SYS 2970 TIP3 H1 A 0.417000 1.0079 - 8910 SYS 2970 TIP3 H2 A 0.417000 1.0079 - 8911 SYS 2971 TIP3 O1 C -0.834000 15.9994 - 8912 SYS 2971 TIP3 H1 A 0.417000 1.0079 - 8913 SYS 2971 TIP3 H2 A 0.417000 1.0079 - 8914 SYS 2972 TIP3 O1 C -0.834000 15.9994 - 8915 SYS 2972 TIP3 H1 A 0.417000 1.0079 - 8916 SYS 2972 TIP3 H2 A 0.417000 1.0079 - 8917 SYS 2973 TIP3 O1 C -0.834000 15.9994 - 8918 SYS 2973 TIP3 H1 A 0.417000 1.0079 - 8919 SYS 2973 TIP3 H2 A 0.417000 1.0079 - 8920 SYS 2974 TIP3 O1 C -0.834000 15.9994 - 8921 SYS 2974 TIP3 H1 A 0.417000 1.0079 - 8922 SYS 2974 TIP3 H2 A 0.417000 1.0079 - 8923 SYS 2975 TIP3 O1 C -0.834000 15.9994 - 8924 SYS 2975 TIP3 H1 A 0.417000 1.0079 - 8925 SYS 2975 TIP3 H2 A 0.417000 1.0079 - 8926 SYS 2976 TIP3 O1 C -0.834000 15.9994 - 8927 SYS 2976 TIP3 H1 A 0.417000 1.0079 - 8928 SYS 2976 TIP3 H2 A 0.417000 1.0079 - 8929 SYS 2977 TIP3 O1 C -0.834000 15.9994 - 8930 SYS 2977 TIP3 H1 A 0.417000 1.0079 - 8931 SYS 2977 TIP3 H2 A 0.417000 1.0079 - 8932 SYS 2978 TIP3 O1 C -0.834000 15.9994 - 8933 SYS 2978 TIP3 H1 A 0.417000 1.0079 - 8934 SYS 2978 TIP3 H2 A 0.417000 1.0079 - 8935 SYS 2979 TIP3 O1 C -0.834000 15.9994 - 8936 SYS 2979 TIP3 H1 A 0.417000 1.0079 - 8937 SYS 2979 TIP3 H2 A 0.417000 1.0079 - 8938 SYS 2980 TIP3 O1 C -0.834000 15.9994 - 8939 SYS 2980 TIP3 H1 A 0.417000 1.0079 - 8940 SYS 2980 TIP3 H2 A 0.417000 1.0079 - 8941 SYS 2981 TIP3 O1 C -0.834000 15.9994 - 8942 SYS 2981 TIP3 H1 A 0.417000 1.0079 - 8943 SYS 2981 TIP3 H2 A 0.417000 1.0079 - 8944 SYS 2982 TIP3 O1 C -0.834000 15.9994 - 8945 SYS 2982 TIP3 H1 A 0.417000 1.0079 - 8946 SYS 2982 TIP3 H2 A 0.417000 1.0079 - 8947 SYS 2983 TIP3 O1 C -0.834000 15.9994 - 8948 SYS 2983 TIP3 H1 A 0.417000 1.0079 - 8949 SYS 2983 TIP3 H2 A 0.417000 1.0079 - 8950 SYS 2984 TIP3 O1 C -0.834000 15.9994 - 8951 SYS 2984 TIP3 H1 A 0.417000 1.0079 - 8952 SYS 2984 TIP3 H2 A 0.417000 1.0079 - 8953 SYS 2985 TIP3 O1 C -0.834000 15.9994 - 8954 SYS 2985 TIP3 H1 A 0.417000 1.0079 - 8955 SYS 2985 TIP3 H2 A 0.417000 1.0079 - 8956 SYS 2986 TIP3 O1 C -0.834000 15.9994 - 8957 SYS 2986 TIP3 H1 A 0.417000 1.0079 - 8958 SYS 2986 TIP3 H2 A 0.417000 1.0079 - 8959 SYS 2987 TIP3 O1 C -0.834000 15.9994 - 8960 SYS 2987 TIP3 H1 A 0.417000 1.0079 - 8961 SYS 2987 TIP3 H2 A 0.417000 1.0079 - 8962 SYS 2988 TIP3 O1 C -0.834000 15.9994 - 8963 SYS 2988 TIP3 H1 A 0.417000 1.0079 - 8964 SYS 2988 TIP3 H2 A 0.417000 1.0079 - 8965 SYS 2989 TIP3 O1 C -0.834000 15.9994 - 8966 SYS 2989 TIP3 H1 A 0.417000 1.0079 - 8967 SYS 2989 TIP3 H2 A 0.417000 1.0079 - 8968 SYS 2990 TIP3 O1 C -0.834000 15.9994 - 8969 SYS 2990 TIP3 H1 A 0.417000 1.0079 - 8970 SYS 2990 TIP3 H2 A 0.417000 1.0079 - 8971 SYS 2991 TIP3 O1 C -0.834000 15.9994 - 8972 SYS 2991 TIP3 H1 A 0.417000 1.0079 - 8973 SYS 2991 TIP3 H2 A 0.417000 1.0079 - 8974 SYS 2992 TIP3 O1 C -0.834000 15.9994 - 8975 SYS 2992 TIP3 H1 A 0.417000 1.0079 - 8976 SYS 2992 TIP3 H2 A 0.417000 1.0079 - 8977 SYS 2993 TIP3 O1 C -0.834000 15.9994 - 8978 SYS 2993 TIP3 H1 A 0.417000 1.0079 - 8979 SYS 2993 TIP3 H2 A 0.417000 1.0079 - 8980 SYS 2994 TIP3 O1 C -0.834000 15.9994 - 8981 SYS 2994 TIP3 H1 A 0.417000 1.0079 - 8982 SYS 2994 TIP3 H2 A 0.417000 1.0079 - 8983 SYS 2995 TIP3 O1 C -0.834000 15.9994 - 8984 SYS 2995 TIP3 H1 A 0.417000 1.0079 - 8985 SYS 2995 TIP3 H2 A 0.417000 1.0079 - 8986 SYS 2996 TIP3 O1 C -0.834000 15.9994 - 8987 SYS 2996 TIP3 H1 A 0.417000 1.0079 - 8988 SYS 2996 TIP3 H2 A 0.417000 1.0079 - 8989 SYS 2997 TIP3 O1 C -0.834000 15.9994 - 8990 SYS 2997 TIP3 H1 A 0.417000 1.0079 - 8991 SYS 2997 TIP3 H2 A 0.417000 1.0079 - 8992 SYS 2998 TIP3 O1 C -0.834000 15.9994 - 8993 SYS 2998 TIP3 H1 A 0.417000 1.0079 - 8994 SYS 2998 TIP3 H2 A 0.417000 1.0079 - 8995 SYS 2999 TIP3 O1 C -0.834000 15.9994 - 8996 SYS 2999 TIP3 H1 A 0.417000 1.0079 - 8997 SYS 2999 TIP3 H2 A 0.417000 1.0079 - 8998 SYS 3000 TIP3 O1 C -0.834000 15.9994 - 8999 SYS 3000 TIP3 H1 A 0.417000 1.0079 - 9000 SYS 3000 TIP3 H2 A 0.417000 1.0079 - 9001 SYS 3001 TIP3 O1 C -0.834000 15.9994 - 9002 SYS 3001 TIP3 H1 A 0.417000 1.0079 - 9003 SYS 3001 TIP3 H2 A 0.417000 1.0079 - 9004 SYS 3002 TIP3 O1 C -0.834000 15.9994 - 9005 SYS 3002 TIP3 H1 A 0.417000 1.0079 - 9006 SYS 3002 TIP3 H2 A 0.417000 1.0079 - 9007 SYS 3003 TIP3 O1 C -0.834000 15.9994 - 9008 SYS 3003 TIP3 H1 A 0.417000 1.0079 - 9009 SYS 3003 TIP3 H2 A 0.417000 1.0079 - 9010 SYS 3004 TIP3 O1 C -0.834000 15.9994 - 9011 SYS 3004 TIP3 H1 A 0.417000 1.0079 - 9012 SYS 3004 TIP3 H2 A 0.417000 1.0079 - 9013 SYS 3005 TIP3 O1 C -0.834000 15.9994 - 9014 SYS 3005 TIP3 H1 A 0.417000 1.0079 - 9015 SYS 3005 TIP3 H2 A 0.417000 1.0079 - 9016 SYS 3006 TIP3 O1 C -0.834000 15.9994 - 9017 SYS 3006 TIP3 H1 A 0.417000 1.0079 - 9018 SYS 3006 TIP3 H2 A 0.417000 1.0079 - 9019 SYS 3007 TIP3 O1 C -0.834000 15.9994 - 9020 SYS 3007 TIP3 H1 A 0.417000 1.0079 - 9021 SYS 3007 TIP3 H2 A 0.417000 1.0079 - 9022 SYS 3008 TIP3 O1 C -0.834000 15.9994 - 9023 SYS 3008 TIP3 H1 A 0.417000 1.0079 - 9024 SYS 3008 TIP3 H2 A 0.417000 1.0079 - 9025 SYS 3009 TIP3 O1 C -0.834000 15.9994 - 9026 SYS 3009 TIP3 H1 A 0.417000 1.0079 - 9027 SYS 3009 TIP3 H2 A 0.417000 1.0079 - 9028 SYS 3010 TIP3 O1 C -0.834000 15.9994 - 9029 SYS 3010 TIP3 H1 A 0.417000 1.0079 - 9030 SYS 3010 TIP3 H2 A 0.417000 1.0079 - 9031 SYS 3011 TIP3 O1 C -0.834000 15.9994 - 9032 SYS 3011 TIP3 H1 A 0.417000 1.0079 - 9033 SYS 3011 TIP3 H2 A 0.417000 1.0079 - 9034 SYS 3012 TIP3 O1 C -0.834000 15.9994 - 9035 SYS 3012 TIP3 H1 A 0.417000 1.0079 - 9036 SYS 3012 TIP3 H2 A 0.417000 1.0079 - 9037 SYS 3013 TIP3 O1 C -0.834000 15.9994 - 9038 SYS 3013 TIP3 H1 A 0.417000 1.0079 - 9039 SYS 3013 TIP3 H2 A 0.417000 1.0079 - 9040 SYS 3014 TIP3 O1 C -0.834000 15.9994 - 9041 SYS 3014 TIP3 H1 A 0.417000 1.0079 - 9042 SYS 3014 TIP3 H2 A 0.417000 1.0079 - 9043 SYS 3015 TIP3 O1 C -0.834000 15.9994 - 9044 SYS 3015 TIP3 H1 A 0.417000 1.0079 - 9045 SYS 3015 TIP3 H2 A 0.417000 1.0079 - 9046 SYS 3016 TIP3 O1 C -0.834000 15.9994 - 9047 SYS 3016 TIP3 H1 A 0.417000 1.0079 - 9048 SYS 3016 TIP3 H2 A 0.417000 1.0079 - 9049 SYS 3017 TIP3 O1 C -0.834000 15.9994 - 9050 SYS 3017 TIP3 H1 A 0.417000 1.0079 - 9051 SYS 3017 TIP3 H2 A 0.417000 1.0079 - 9052 SYS 3018 TIP3 O1 C -0.834000 15.9994 - 9053 SYS 3018 TIP3 H1 A 0.417000 1.0079 - 9054 SYS 3018 TIP3 H2 A 0.417000 1.0079 - 9055 SYS 3019 TIP3 O1 C -0.834000 15.9994 - 9056 SYS 3019 TIP3 H1 A 0.417000 1.0079 - 9057 SYS 3019 TIP3 H2 A 0.417000 1.0079 - 9058 SYS 3020 TIP3 O1 C -0.834000 15.9994 - 9059 SYS 3020 TIP3 H1 A 0.417000 1.0079 - 9060 SYS 3020 TIP3 H2 A 0.417000 1.0079 - 9061 SYS 3021 TIP3 O1 C -0.834000 15.9994 - 9062 SYS 3021 TIP3 H1 A 0.417000 1.0079 - 9063 SYS 3021 TIP3 H2 A 0.417000 1.0079 - 9064 SYS 3022 TIP3 O1 C -0.834000 15.9994 - 9065 SYS 3022 TIP3 H1 A 0.417000 1.0079 - 9066 SYS 3022 TIP3 H2 A 0.417000 1.0079 - 9067 SYS 3023 TIP3 O1 C -0.834000 15.9994 - 9068 SYS 3023 TIP3 H1 A 0.417000 1.0079 - 9069 SYS 3023 TIP3 H2 A 0.417000 1.0079 - 9070 SYS 3024 TIP3 O1 C -0.834000 15.9994 - 9071 SYS 3024 TIP3 H1 A 0.417000 1.0079 - 9072 SYS 3024 TIP3 H2 A 0.417000 1.0079 - 9073 SYS 3025 TIP3 O1 C -0.834000 15.9994 - 9074 SYS 3025 TIP3 H1 A 0.417000 1.0079 - 9075 SYS 3025 TIP3 H2 A 0.417000 1.0079 - 9076 SYS 3026 TIP3 O1 C -0.834000 15.9994 - 9077 SYS 3026 TIP3 H1 A 0.417000 1.0079 - 9078 SYS 3026 TIP3 H2 A 0.417000 1.0079 - 9079 SYS 3027 TIP3 O1 C -0.834000 15.9994 - 9080 SYS 3027 TIP3 H1 A 0.417000 1.0079 - 9081 SYS 3027 TIP3 H2 A 0.417000 1.0079 - 9082 SYS 3028 TIP3 O1 C -0.834000 15.9994 - 9083 SYS 3028 TIP3 H1 A 0.417000 1.0079 - 9084 SYS 3028 TIP3 H2 A 0.417000 1.0079 - 9085 SYS 3029 TIP3 O1 C -0.834000 15.9994 - 9086 SYS 3029 TIP3 H1 A 0.417000 1.0079 - 9087 SYS 3029 TIP3 H2 A 0.417000 1.0079 - 9088 SYS 3030 TIP3 O1 C -0.834000 15.9994 - 9089 SYS 3030 TIP3 H1 A 0.417000 1.0079 - 9090 SYS 3030 TIP3 H2 A 0.417000 1.0079 - 9091 SYS 3031 TIP3 O1 C -0.834000 15.9994 - 9092 SYS 3031 TIP3 H1 A 0.417000 1.0079 - 9093 SYS 3031 TIP3 H2 A 0.417000 1.0079 - 9094 SYS 3032 TIP3 O1 C -0.834000 15.9994 - 9095 SYS 3032 TIP3 H1 A 0.417000 1.0079 - 9096 SYS 3032 TIP3 H2 A 0.417000 1.0079 - 9097 SYS 3033 TIP3 O1 C -0.834000 15.9994 - 9098 SYS 3033 TIP3 H1 A 0.417000 1.0079 - 9099 SYS 3033 TIP3 H2 A 0.417000 1.0079 - 9100 SYS 3034 TIP3 O1 C -0.834000 15.9994 - 9101 SYS 3034 TIP3 H1 A 0.417000 1.0079 - 9102 SYS 3034 TIP3 H2 A 0.417000 1.0079 - 9103 SYS 3035 TIP3 O1 C -0.834000 15.9994 - 9104 SYS 3035 TIP3 H1 A 0.417000 1.0079 - 9105 SYS 3035 TIP3 H2 A 0.417000 1.0079 - 9106 SYS 3036 TIP3 O1 C -0.834000 15.9994 - 9107 SYS 3036 TIP3 H1 A 0.417000 1.0079 - 9108 SYS 3036 TIP3 H2 A 0.417000 1.0079 - 9109 SYS 3037 TIP3 O1 C -0.834000 15.9994 - 9110 SYS 3037 TIP3 H1 A 0.417000 1.0079 - 9111 SYS 3037 TIP3 H2 A 0.417000 1.0079 - 9112 SYS 3038 TIP3 O1 C -0.834000 15.9994 - 9113 SYS 3038 TIP3 H1 A 0.417000 1.0079 - 9114 SYS 3038 TIP3 H2 A 0.417000 1.0079 - 9115 SYS 3039 TIP3 O1 C -0.834000 15.9994 - 9116 SYS 3039 TIP3 H1 A 0.417000 1.0079 - 9117 SYS 3039 TIP3 H2 A 0.417000 1.0079 - 9118 SYS 3040 TIP3 O1 C -0.834000 15.9994 - 9119 SYS 3040 TIP3 H1 A 0.417000 1.0079 - 9120 SYS 3040 TIP3 H2 A 0.417000 1.0079 - 9121 SYS 3041 TIP3 O1 C -0.834000 15.9994 - 9122 SYS 3041 TIP3 H1 A 0.417000 1.0079 - 9123 SYS 3041 TIP3 H2 A 0.417000 1.0079 - 9124 SYS 3042 TIP3 O1 C -0.834000 15.9994 - 9125 SYS 3042 TIP3 H1 A 0.417000 1.0079 - 9126 SYS 3042 TIP3 H2 A 0.417000 1.0079 - 9127 SYS 3043 TIP3 O1 C -0.834000 15.9994 - 9128 SYS 3043 TIP3 H1 A 0.417000 1.0079 - 9129 SYS 3043 TIP3 H2 A 0.417000 1.0079 - 9130 SYS 3044 TIP3 O1 C -0.834000 15.9994 - 9131 SYS 3044 TIP3 H1 A 0.417000 1.0079 - 9132 SYS 3044 TIP3 H2 A 0.417000 1.0079 - 9133 SYS 3045 TIP3 O1 C -0.834000 15.9994 - 9134 SYS 3045 TIP3 H1 A 0.417000 1.0079 - 9135 SYS 3045 TIP3 H2 A 0.417000 1.0079 - 9136 SYS 3046 TIP3 O1 C -0.834000 15.9994 - 9137 SYS 3046 TIP3 H1 A 0.417000 1.0079 - 9138 SYS 3046 TIP3 H2 A 0.417000 1.0079 - 9139 SYS 3047 TIP3 O1 C -0.834000 15.9994 - 9140 SYS 3047 TIP3 H1 A 0.417000 1.0079 - 9141 SYS 3047 TIP3 H2 A 0.417000 1.0079 - 9142 SYS 3048 TIP3 O1 C -0.834000 15.9994 - 9143 SYS 3048 TIP3 H1 A 0.417000 1.0079 - 9144 SYS 3048 TIP3 H2 A 0.417000 1.0079 - 9145 SYS 3049 TIP3 O1 C -0.834000 15.9994 - 9146 SYS 3049 TIP3 H1 A 0.417000 1.0079 - 9147 SYS 3049 TIP3 H2 A 0.417000 1.0079 - 9148 SYS 3050 TIP3 O1 C -0.834000 15.9994 - 9149 SYS 3050 TIP3 H1 A 0.417000 1.0079 - 9150 SYS 3050 TIP3 H2 A 0.417000 1.0079 - 9151 SYS 3051 TIP3 O1 C -0.834000 15.9994 - 9152 SYS 3051 TIP3 H1 A 0.417000 1.0079 - 9153 SYS 3051 TIP3 H2 A 0.417000 1.0079 - 9154 SYS 3052 TIP3 O1 C -0.834000 15.9994 - 9155 SYS 3052 TIP3 H1 A 0.417000 1.0079 - 9156 SYS 3052 TIP3 H2 A 0.417000 1.0079 - 9157 SYS 3053 TIP3 O1 C -0.834000 15.9994 - 9158 SYS 3053 TIP3 H1 A 0.417000 1.0079 - 9159 SYS 3053 TIP3 H2 A 0.417000 1.0079 - 9160 SYS 3054 TIP3 O1 C -0.834000 15.9994 - 9161 SYS 3054 TIP3 H1 A 0.417000 1.0079 - 9162 SYS 3054 TIP3 H2 A 0.417000 1.0079 - 9163 SYS 3055 TIP3 O1 C -0.834000 15.9994 - 9164 SYS 3055 TIP3 H1 A 0.417000 1.0079 - 9165 SYS 3055 TIP3 H2 A 0.417000 1.0079 - 9166 SYS 3056 TIP3 O1 C -0.834000 15.9994 - 9167 SYS 3056 TIP3 H1 A 0.417000 1.0079 - 9168 SYS 3056 TIP3 H2 A 0.417000 1.0079 - 9169 SYS 3057 TIP3 O1 C -0.834000 15.9994 - 9170 SYS 3057 TIP3 H1 A 0.417000 1.0079 - 9171 SYS 3057 TIP3 H2 A 0.417000 1.0079 - 9172 SYS 3058 TIP3 O1 C -0.834000 15.9994 - 9173 SYS 3058 TIP3 H1 A 0.417000 1.0079 - 9174 SYS 3058 TIP3 H2 A 0.417000 1.0079 - 9175 SYS 3059 TIP3 O1 C -0.834000 15.9994 - 9176 SYS 3059 TIP3 H1 A 0.417000 1.0079 - 9177 SYS 3059 TIP3 H2 A 0.417000 1.0079 - 9178 SYS 3060 TIP3 O1 C -0.834000 15.9994 - 9179 SYS 3060 TIP3 H1 A 0.417000 1.0079 - 9180 SYS 3060 TIP3 H2 A 0.417000 1.0079 - 9181 SYS 3061 TIP3 O1 C -0.834000 15.9994 - 9182 SYS 3061 TIP3 H1 A 0.417000 1.0079 - 9183 SYS 3061 TIP3 H2 A 0.417000 1.0079 - 9184 SYS 3062 TIP3 O1 C -0.834000 15.9994 - 9185 SYS 3062 TIP3 H1 A 0.417000 1.0079 - 9186 SYS 3062 TIP3 H2 A 0.417000 1.0079 - 9187 SYS 3063 TIP3 O1 C -0.834000 15.9994 - 9188 SYS 3063 TIP3 H1 A 0.417000 1.0079 - 9189 SYS 3063 TIP3 H2 A 0.417000 1.0079 - 9190 SYS 3064 TIP3 O1 C -0.834000 15.9994 - 9191 SYS 3064 TIP3 H1 A 0.417000 1.0079 - 9192 SYS 3064 TIP3 H2 A 0.417000 1.0079 - 9193 SYS 3065 TIP3 O1 C -0.834000 15.9994 - 9194 SYS 3065 TIP3 H1 A 0.417000 1.0079 - 9195 SYS 3065 TIP3 H2 A 0.417000 1.0079 - 9196 SYS 3066 TIP3 O1 C -0.834000 15.9994 - 9197 SYS 3066 TIP3 H1 A 0.417000 1.0079 - 9198 SYS 3066 TIP3 H2 A 0.417000 1.0079 - 9199 SYS 3067 TIP3 O1 C -0.834000 15.9994 - 9200 SYS 3067 TIP3 H1 A 0.417000 1.0079 - 9201 SYS 3067 TIP3 H2 A 0.417000 1.0079 - 9202 SYS 3068 TIP3 O1 C -0.834000 15.9994 - 9203 SYS 3068 TIP3 H1 A 0.417000 1.0079 - 9204 SYS 3068 TIP3 H2 A 0.417000 1.0079 - 9205 SYS 3069 TIP3 O1 C -0.834000 15.9994 - 9206 SYS 3069 TIP3 H1 A 0.417000 1.0079 - 9207 SYS 3069 TIP3 H2 A 0.417000 1.0079 - 9208 SYS 3070 TIP3 O1 C -0.834000 15.9994 - 9209 SYS 3070 TIP3 H1 A 0.417000 1.0079 - 9210 SYS 3070 TIP3 H2 A 0.417000 1.0079 - 9211 SYS 3071 TIP3 O1 C -0.834000 15.9994 - 9212 SYS 3071 TIP3 H1 A 0.417000 1.0079 - 9213 SYS 3071 TIP3 H2 A 0.417000 1.0079 - 9214 SYS 3072 TIP3 O1 C -0.834000 15.9994 - 9215 SYS 3072 TIP3 H1 A 0.417000 1.0079 - 9216 SYS 3072 TIP3 H2 A 0.417000 1.0079 - 9217 SYS 3073 TIP3 O1 C -0.834000 15.9994 - 9218 SYS 3073 TIP3 H1 A 0.417000 1.0079 - 9219 SYS 3073 TIP3 H2 A 0.417000 1.0079 - 9220 SYS 3074 TIP3 O1 C -0.834000 15.9994 - 9221 SYS 3074 TIP3 H1 A 0.417000 1.0079 - 9222 SYS 3074 TIP3 H2 A 0.417000 1.0079 - 9223 SYS 3075 TIP3 O1 C -0.834000 15.9994 - 9224 SYS 3075 TIP3 H1 A 0.417000 1.0079 - 9225 SYS 3075 TIP3 H2 A 0.417000 1.0079 - 9226 SYS 3076 TIP3 O1 C -0.834000 15.9994 - 9227 SYS 3076 TIP3 H1 A 0.417000 1.0079 - 9228 SYS 3076 TIP3 H2 A 0.417000 1.0079 - 9229 SYS 3077 TIP3 O1 C -0.834000 15.9994 - 9230 SYS 3077 TIP3 H1 A 0.417000 1.0079 - 9231 SYS 3077 TIP3 H2 A 0.417000 1.0079 - 9232 SYS 3078 TIP3 O1 C -0.834000 15.9994 - 9233 SYS 3078 TIP3 H1 A 0.417000 1.0079 - 9234 SYS 3078 TIP3 H2 A 0.417000 1.0079 - 9235 SYS 3079 TIP3 O1 C -0.834000 15.9994 - 9236 SYS 3079 TIP3 H1 A 0.417000 1.0079 - 9237 SYS 3079 TIP3 H2 A 0.417000 1.0079 - 9238 SYS 3080 TIP3 O1 C -0.834000 15.9994 - 9239 SYS 3080 TIP3 H1 A 0.417000 1.0079 - 9240 SYS 3080 TIP3 H2 A 0.417000 1.0079 - 9241 SYS 3081 TIP3 O1 C -0.834000 15.9994 - 9242 SYS 3081 TIP3 H1 A 0.417000 1.0079 - 9243 SYS 3081 TIP3 H2 A 0.417000 1.0079 - 9244 SYS 3082 TIP3 O1 C -0.834000 15.9994 - 9245 SYS 3082 TIP3 H1 A 0.417000 1.0079 - 9246 SYS 3082 TIP3 H2 A 0.417000 1.0079 - 9247 SYS 3083 TIP3 O1 C -0.834000 15.9994 - 9248 SYS 3083 TIP3 H1 A 0.417000 1.0079 - 9249 SYS 3083 TIP3 H2 A 0.417000 1.0079 - 9250 SYS 3084 TIP3 O1 C -0.834000 15.9994 - 9251 SYS 3084 TIP3 H1 A 0.417000 1.0079 - 9252 SYS 3084 TIP3 H2 A 0.417000 1.0079 - 9253 SYS 3085 TIP3 O1 C -0.834000 15.9994 - 9254 SYS 3085 TIP3 H1 A 0.417000 1.0079 - 9255 SYS 3085 TIP3 H2 A 0.417000 1.0079 - 9256 SYS 3086 TIP3 O1 C -0.834000 15.9994 - 9257 SYS 3086 TIP3 H1 A 0.417000 1.0079 - 9258 SYS 3086 TIP3 H2 A 0.417000 1.0079 - 9259 SYS 3087 TIP3 O1 C -0.834000 15.9994 - 9260 SYS 3087 TIP3 H1 A 0.417000 1.0079 - 9261 SYS 3087 TIP3 H2 A 0.417000 1.0079 - 9262 SYS 3088 TIP3 O1 C -0.834000 15.9994 - 9263 SYS 3088 TIP3 H1 A 0.417000 1.0079 - 9264 SYS 3088 TIP3 H2 A 0.417000 1.0079 - 9265 SYS 3089 TIP3 O1 C -0.834000 15.9994 - 9266 SYS 3089 TIP3 H1 A 0.417000 1.0079 - 9267 SYS 3089 TIP3 H2 A 0.417000 1.0079 - 9268 SYS 3090 TIP3 O1 C -0.834000 15.9994 - 9269 SYS 3090 TIP3 H1 A 0.417000 1.0079 - 9270 SYS 3090 TIP3 H2 A 0.417000 1.0079 - 9271 SYS 3091 TIP3 O1 C -0.834000 15.9994 - 9272 SYS 3091 TIP3 H1 A 0.417000 1.0079 - 9273 SYS 3091 TIP3 H2 A 0.417000 1.0079 - 9274 SYS 3092 TIP3 O1 C -0.834000 15.9994 - 9275 SYS 3092 TIP3 H1 A 0.417000 1.0079 - 9276 SYS 3092 TIP3 H2 A 0.417000 1.0079 - 9277 SYS 3093 TIP3 O1 C -0.834000 15.9994 - 9278 SYS 3093 TIP3 H1 A 0.417000 1.0079 - 9279 SYS 3093 TIP3 H2 A 0.417000 1.0079 - 9280 SYS 3094 TIP3 O1 C -0.834000 15.9994 - 9281 SYS 3094 TIP3 H1 A 0.417000 1.0079 - 9282 SYS 3094 TIP3 H2 A 0.417000 1.0079 - 9283 SYS 3095 TIP3 O1 C -0.834000 15.9994 - 9284 SYS 3095 TIP3 H1 A 0.417000 1.0079 - 9285 SYS 3095 TIP3 H2 A 0.417000 1.0079 - 9286 SYS 3096 TIP3 O1 C -0.834000 15.9994 - 9287 SYS 3096 TIP3 H1 A 0.417000 1.0079 - 9288 SYS 3096 TIP3 H2 A 0.417000 1.0079 - 9289 SYS 3097 TIP3 O1 C -0.834000 15.9994 - 9290 SYS 3097 TIP3 H1 A 0.417000 1.0079 - 9291 SYS 3097 TIP3 H2 A 0.417000 1.0079 - 9292 SYS 3098 TIP3 O1 C -0.834000 15.9994 - 9293 SYS 3098 TIP3 H1 A 0.417000 1.0079 - 9294 SYS 3098 TIP3 H2 A 0.417000 1.0079 - 9295 SYS 3099 TIP3 O1 C -0.834000 15.9994 - 9296 SYS 3099 TIP3 H1 A 0.417000 1.0079 - 9297 SYS 3099 TIP3 H2 A 0.417000 1.0079 - 9298 SYS 3100 TIP3 O1 C -0.834000 15.9994 - 9299 SYS 3100 TIP3 H1 A 0.417000 1.0079 - 9300 SYS 3100 TIP3 H2 A 0.417000 1.0079 - 9301 SYS 3101 TIP3 O1 C -0.834000 15.9994 - 9302 SYS 3101 TIP3 H1 A 0.417000 1.0079 - 9303 SYS 3101 TIP3 H2 A 0.417000 1.0079 - 9304 SYS 3102 TIP3 O1 C -0.834000 15.9994 - 9305 SYS 3102 TIP3 H1 A 0.417000 1.0079 - 9306 SYS 3102 TIP3 H2 A 0.417000 1.0079 - 9307 SYS 3103 TIP3 O1 C -0.834000 15.9994 - 9308 SYS 3103 TIP3 H1 A 0.417000 1.0079 - 9309 SYS 3103 TIP3 H2 A 0.417000 1.0079 - 9310 SYS 3104 TIP3 O1 C -0.834000 15.9994 - 9311 SYS 3104 TIP3 H1 A 0.417000 1.0079 - 9312 SYS 3104 TIP3 H2 A 0.417000 1.0079 - 9313 SYS 3105 TIP3 O1 C -0.834000 15.9994 - 9314 SYS 3105 TIP3 H1 A 0.417000 1.0079 - 9315 SYS 3105 TIP3 H2 A 0.417000 1.0079 - 9316 SYS 3106 TIP3 O1 C -0.834000 15.9994 - 9317 SYS 3106 TIP3 H1 A 0.417000 1.0079 - 9318 SYS 3106 TIP3 H2 A 0.417000 1.0079 - 9319 SYS 3107 TIP3 O1 C -0.834000 15.9994 - 9320 SYS 3107 TIP3 H1 A 0.417000 1.0079 - 9321 SYS 3107 TIP3 H2 A 0.417000 1.0079 - 9322 SYS 3108 TIP3 O1 C -0.834000 15.9994 - 9323 SYS 3108 TIP3 H1 A 0.417000 1.0079 - 9324 SYS 3108 TIP3 H2 A 0.417000 1.0079 - 9325 SYS 3109 TIP3 O1 C -0.834000 15.9994 - 9326 SYS 3109 TIP3 H1 A 0.417000 1.0079 - 9327 SYS 3109 TIP3 H2 A 0.417000 1.0079 - 9328 SYS 3110 TIP3 O1 C -0.834000 15.9994 - 9329 SYS 3110 TIP3 H1 A 0.417000 1.0079 - 9330 SYS 3110 TIP3 H2 A 0.417000 1.0079 - 9331 SYS 3111 TIP3 O1 C -0.834000 15.9994 - 9332 SYS 3111 TIP3 H1 A 0.417000 1.0079 - 9333 SYS 3111 TIP3 H2 A 0.417000 1.0079 - 9334 SYS 3112 TIP3 O1 C -0.834000 15.9994 - 9335 SYS 3112 TIP3 H1 A 0.417000 1.0079 - 9336 SYS 3112 TIP3 H2 A 0.417000 1.0079 - 9337 SYS 3113 TIP3 O1 C -0.834000 15.9994 - 9338 SYS 3113 TIP3 H1 A 0.417000 1.0079 - 9339 SYS 3113 TIP3 H2 A 0.417000 1.0079 - 9340 SYS 3114 TIP3 O1 C -0.834000 15.9994 - 9341 SYS 3114 TIP3 H1 A 0.417000 1.0079 - 9342 SYS 3114 TIP3 H2 A 0.417000 1.0079 - 9343 SYS 3115 TIP3 O1 C -0.834000 15.9994 - 9344 SYS 3115 TIP3 H1 A 0.417000 1.0079 - 9345 SYS 3115 TIP3 H2 A 0.417000 1.0079 - 9346 SYS 3116 TIP3 O1 C -0.834000 15.9994 - 9347 SYS 3116 TIP3 H1 A 0.417000 1.0079 - 9348 SYS 3116 TIP3 H2 A 0.417000 1.0079 - 9349 SYS 3117 TIP3 O1 C -0.834000 15.9994 - 9350 SYS 3117 TIP3 H1 A 0.417000 1.0079 - 9351 SYS 3117 TIP3 H2 A 0.417000 1.0079 - 9352 SYS 3118 TIP3 O1 C -0.834000 15.9994 - 9353 SYS 3118 TIP3 H1 A 0.417000 1.0079 - 9354 SYS 3118 TIP3 H2 A 0.417000 1.0079 - 9355 SYS 3119 TIP3 O1 C -0.834000 15.9994 - 9356 SYS 3119 TIP3 H1 A 0.417000 1.0079 - 9357 SYS 3119 TIP3 H2 A 0.417000 1.0079 - 9358 SYS 3120 TIP3 O1 C -0.834000 15.9994 - 9359 SYS 3120 TIP3 H1 A 0.417000 1.0079 - 9360 SYS 3120 TIP3 H2 A 0.417000 1.0079 - 9361 SYS 3121 TIP3 O1 C -0.834000 15.9994 - 9362 SYS 3121 TIP3 H1 A 0.417000 1.0079 - 9363 SYS 3121 TIP3 H2 A 0.417000 1.0079 - 9364 SYS 3122 TIP3 O1 C -0.834000 15.9994 - 9365 SYS 3122 TIP3 H1 A 0.417000 1.0079 - 9366 SYS 3122 TIP3 H2 A 0.417000 1.0079 - 9367 SYS 3123 TIP3 O1 C -0.834000 15.9994 - 9368 SYS 3123 TIP3 H1 A 0.417000 1.0079 - 9369 SYS 3123 TIP3 H2 A 0.417000 1.0079 - 9370 SYS 3124 TIP3 O1 C -0.834000 15.9994 - 9371 SYS 3124 TIP3 H1 A 0.417000 1.0079 - 9372 SYS 3124 TIP3 H2 A 0.417000 1.0079 - 9373 SYS 3125 TIP3 O1 C -0.834000 15.9994 - 9374 SYS 3125 TIP3 H1 A 0.417000 1.0079 - 9375 SYS 3125 TIP3 H2 A 0.417000 1.0079 - 9376 SYS 3126 TIP3 O1 C -0.834000 15.9994 - 9377 SYS 3126 TIP3 H1 A 0.417000 1.0079 - 9378 SYS 3126 TIP3 H2 A 0.417000 1.0079 - 9379 SYS 3127 TIP3 O1 C -0.834000 15.9994 - 9380 SYS 3127 TIP3 H1 A 0.417000 1.0079 - 9381 SYS 3127 TIP3 H2 A 0.417000 1.0079 - 9382 SYS 3128 TIP3 O1 C -0.834000 15.9994 - 9383 SYS 3128 TIP3 H1 A 0.417000 1.0079 - 9384 SYS 3128 TIP3 H2 A 0.417000 1.0079 - 9385 SYS 3129 TIP3 O1 C -0.834000 15.9994 - 9386 SYS 3129 TIP3 H1 A 0.417000 1.0079 - 9387 SYS 3129 TIP3 H2 A 0.417000 1.0079 - 9388 SYS 3130 TIP3 O1 C -0.834000 15.9994 - 9389 SYS 3130 TIP3 H1 A 0.417000 1.0079 - 9390 SYS 3130 TIP3 H2 A 0.417000 1.0079 - 9391 SYS 3131 TIP3 O1 C -0.834000 15.9994 - 9392 SYS 3131 TIP3 H1 A 0.417000 1.0079 - 9393 SYS 3131 TIP3 H2 A 0.417000 1.0079 - 9394 SYS 3132 TIP3 O1 C -0.834000 15.9994 - 9395 SYS 3132 TIP3 H1 A 0.417000 1.0079 - 9396 SYS 3132 TIP3 H2 A 0.417000 1.0079 - 9397 SYS 3133 TIP3 O1 C -0.834000 15.9994 - 9398 SYS 3133 TIP3 H1 A 0.417000 1.0079 - 9399 SYS 3133 TIP3 H2 A 0.417000 1.0079 - 9400 SYS 3134 TIP3 O1 C -0.834000 15.9994 - 9401 SYS 3134 TIP3 H1 A 0.417000 1.0079 - 9402 SYS 3134 TIP3 H2 A 0.417000 1.0079 - 9403 SYS 3135 TIP3 O1 C -0.834000 15.9994 - 9404 SYS 3135 TIP3 H1 A 0.417000 1.0079 - 9405 SYS 3135 TIP3 H2 A 0.417000 1.0079 - 9406 SYS 3136 TIP3 O1 C -0.834000 15.9994 - 9407 SYS 3136 TIP3 H1 A 0.417000 1.0079 - 9408 SYS 3136 TIP3 H2 A 0.417000 1.0079 - 9409 SYS 3137 TIP3 O1 C -0.834000 15.9994 - 9410 SYS 3137 TIP3 H1 A 0.417000 1.0079 - 9411 SYS 3137 TIP3 H2 A 0.417000 1.0079 - 9412 SYS 3138 TIP3 O1 C -0.834000 15.9994 - 9413 SYS 3138 TIP3 H1 A 0.417000 1.0079 - 9414 SYS 3138 TIP3 H2 A 0.417000 1.0079 - 9415 SYS 3139 TIP3 O1 C -0.834000 15.9994 - 9416 SYS 3139 TIP3 H1 A 0.417000 1.0079 - 9417 SYS 3139 TIP3 H2 A 0.417000 1.0079 - 9418 SYS 3140 TIP3 O1 C -0.834000 15.9994 - 9419 SYS 3140 TIP3 H1 A 0.417000 1.0079 - 9420 SYS 3140 TIP3 H2 A 0.417000 1.0079 - 9421 SYS 3141 TIP3 O1 C -0.834000 15.9994 - 9422 SYS 3141 TIP3 H1 A 0.417000 1.0079 - 9423 SYS 3141 TIP3 H2 A 0.417000 1.0079 - 9424 SYS 3142 TIP3 O1 C -0.834000 15.9994 - 9425 SYS 3142 TIP3 H1 A 0.417000 1.0079 - 9426 SYS 3142 TIP3 H2 A 0.417000 1.0079 - 9427 SYS 3143 TIP3 O1 C -0.834000 15.9994 - 9428 SYS 3143 TIP3 H1 A 0.417000 1.0079 - 9429 SYS 3143 TIP3 H2 A 0.417000 1.0079 - 9430 SYS 3144 TIP3 O1 C -0.834000 15.9994 - 9431 SYS 3144 TIP3 H1 A 0.417000 1.0079 - 9432 SYS 3144 TIP3 H2 A 0.417000 1.0079 - 9433 SYS 3145 TIP3 O1 C -0.834000 15.9994 - 9434 SYS 3145 TIP3 H1 A 0.417000 1.0079 - 9435 SYS 3145 TIP3 H2 A 0.417000 1.0079 - 9436 SYS 3146 TIP3 O1 C -0.834000 15.9994 - 9437 SYS 3146 TIP3 H1 A 0.417000 1.0079 - 9438 SYS 3146 TIP3 H2 A 0.417000 1.0079 - 9439 SYS 3147 TIP3 O1 C -0.834000 15.9994 - 9440 SYS 3147 TIP3 H1 A 0.417000 1.0079 - 9441 SYS 3147 TIP3 H2 A 0.417000 1.0079 - 9442 SYS 3148 TIP3 O1 C -0.834000 15.9994 - 9443 SYS 3148 TIP3 H1 A 0.417000 1.0079 - 9444 SYS 3148 TIP3 H2 A 0.417000 1.0079 - 9445 SYS 3149 TIP3 O1 C -0.834000 15.9994 - 9446 SYS 3149 TIP3 H1 A 0.417000 1.0079 - 9447 SYS 3149 TIP3 H2 A 0.417000 1.0079 - 9448 SYS 3150 TIP3 O1 C -0.834000 15.9994 - 9449 SYS 3150 TIP3 H1 A 0.417000 1.0079 - 9450 SYS 3150 TIP3 H2 A 0.417000 1.0079 - 9451 SYS 3151 TIP3 O1 C -0.834000 15.9994 - 9452 SYS 3151 TIP3 H1 A 0.417000 1.0079 - 9453 SYS 3151 TIP3 H2 A 0.417000 1.0079 - 9454 SYS 3152 TIP3 O1 C -0.834000 15.9994 - 9455 SYS 3152 TIP3 H1 A 0.417000 1.0079 - 9456 SYS 3152 TIP3 H2 A 0.417000 1.0079 - 9457 SYS 3153 TIP3 O1 C -0.834000 15.9994 - 9458 SYS 3153 TIP3 H1 A 0.417000 1.0079 - 9459 SYS 3153 TIP3 H2 A 0.417000 1.0079 - 9460 SYS 3154 TIP3 O1 C -0.834000 15.9994 - 9461 SYS 3154 TIP3 H1 A 0.417000 1.0079 - 9462 SYS 3154 TIP3 H2 A 0.417000 1.0079 - 9463 SYS 3155 TIP3 O1 C -0.834000 15.9994 - 9464 SYS 3155 TIP3 H1 A 0.417000 1.0079 - 9465 SYS 3155 TIP3 H2 A 0.417000 1.0079 - 9466 SYS 3156 TIP3 O1 C -0.834000 15.9994 - 9467 SYS 3156 TIP3 H1 A 0.417000 1.0079 - 9468 SYS 3156 TIP3 H2 A 0.417000 1.0079 - 9469 SYS 3157 TIP3 O1 C -0.834000 15.9994 - 9470 SYS 3157 TIP3 H1 A 0.417000 1.0079 - 9471 SYS 3157 TIP3 H2 A 0.417000 1.0079 - 9472 SYS 3158 TIP3 O1 C -0.834000 15.9994 - 9473 SYS 3158 TIP3 H1 A 0.417000 1.0079 - 9474 SYS 3158 TIP3 H2 A 0.417000 1.0079 - 9475 SYS 3159 TIP3 O1 C -0.834000 15.9994 - 9476 SYS 3159 TIP3 H1 A 0.417000 1.0079 - 9477 SYS 3159 TIP3 H2 A 0.417000 1.0079 - 9478 SYS 3160 TIP3 O1 C -0.834000 15.9994 - 9479 SYS 3160 TIP3 H1 A 0.417000 1.0079 - 9480 SYS 3160 TIP3 H2 A 0.417000 1.0079 - 9481 SYS 3161 TIP3 O1 C -0.834000 15.9994 - 9482 SYS 3161 TIP3 H1 A 0.417000 1.0079 - 9483 SYS 3161 TIP3 H2 A 0.417000 1.0079 - 9484 SYS 3162 TIP3 O1 C -0.834000 15.9994 - 9485 SYS 3162 TIP3 H1 A 0.417000 1.0079 - 9486 SYS 3162 TIP3 H2 A 0.417000 1.0079 - 9487 SYS 3163 TIP3 O1 C -0.834000 15.9994 - 9488 SYS 3163 TIP3 H1 A 0.417000 1.0079 - 9489 SYS 3163 TIP3 H2 A 0.417000 1.0079 - 9490 SYS 3164 TIP3 O1 C -0.834000 15.9994 - 9491 SYS 3164 TIP3 H1 A 0.417000 1.0079 - 9492 SYS 3164 TIP3 H2 A 0.417000 1.0079 - 9493 SYS 3165 TIP3 O1 C -0.834000 15.9994 - 9494 SYS 3165 TIP3 H1 A 0.417000 1.0079 - 9495 SYS 3165 TIP3 H2 A 0.417000 1.0079 - 9496 SYS 3166 TIP3 O1 C -0.834000 15.9994 - 9497 SYS 3166 TIP3 H1 A 0.417000 1.0079 - 9498 SYS 3166 TIP3 H2 A 0.417000 1.0079 - 9499 SYS 3167 TIP3 O1 C -0.834000 15.9994 - 9500 SYS 3167 TIP3 H1 A 0.417000 1.0079 - 9501 SYS 3167 TIP3 H2 A 0.417000 1.0079 - 9502 SYS 3168 TIP3 O1 C -0.834000 15.9994 - 9503 SYS 3168 TIP3 H1 A 0.417000 1.0079 - 9504 SYS 3168 TIP3 H2 A 0.417000 1.0079 - 9505 SYS 3169 TIP3 O1 C -0.834000 15.9994 - 9506 SYS 3169 TIP3 H1 A 0.417000 1.0079 - 9507 SYS 3169 TIP3 H2 A 0.417000 1.0079 - 9508 SYS 3170 TIP3 O1 C -0.834000 15.9994 - 9509 SYS 3170 TIP3 H1 A 0.417000 1.0079 - 9510 SYS 3170 TIP3 H2 A 0.417000 1.0079 - 9511 SYS 3171 TIP3 O1 C -0.834000 15.9994 - 9512 SYS 3171 TIP3 H1 A 0.417000 1.0079 - 9513 SYS 3171 TIP3 H2 A 0.417000 1.0079 - 9514 SYS 3172 TIP3 O1 C -0.834000 15.9994 - 9515 SYS 3172 TIP3 H1 A 0.417000 1.0079 - 9516 SYS 3172 TIP3 H2 A 0.417000 1.0079 - 9517 SYS 3173 TIP3 O1 C -0.834000 15.9994 - 9518 SYS 3173 TIP3 H1 A 0.417000 1.0079 - 9519 SYS 3173 TIP3 H2 A 0.417000 1.0079 - 9520 SYS 3174 TIP3 O1 C -0.834000 15.9994 - 9521 SYS 3174 TIP3 H1 A 0.417000 1.0079 - 9522 SYS 3174 TIP3 H2 A 0.417000 1.0079 - 9523 SYS 3175 TIP3 O1 C -0.834000 15.9994 - 9524 SYS 3175 TIP3 H1 A 0.417000 1.0079 - 9525 SYS 3175 TIP3 H2 A 0.417000 1.0079 - 9526 SYS 3176 TIP3 O1 C -0.834000 15.9994 - 9527 SYS 3176 TIP3 H1 A 0.417000 1.0079 - 9528 SYS 3176 TIP3 H2 A 0.417000 1.0079 - 9529 SYS 3177 TIP3 O1 C -0.834000 15.9994 - 9530 SYS 3177 TIP3 H1 A 0.417000 1.0079 - 9531 SYS 3177 TIP3 H2 A 0.417000 1.0079 - 9532 SYS 3178 TIP3 O1 C -0.834000 15.9994 - 9533 SYS 3178 TIP3 H1 A 0.417000 1.0079 - 9534 SYS 3178 TIP3 H2 A 0.417000 1.0079 - 9535 SYS 3179 TIP3 O1 C -0.834000 15.9994 - 9536 SYS 3179 TIP3 H1 A 0.417000 1.0079 - 9537 SYS 3179 TIP3 H2 A 0.417000 1.0079 - 9538 SYS 3180 TIP3 O1 C -0.834000 15.9994 - 9539 SYS 3180 TIP3 H1 A 0.417000 1.0079 - 9540 SYS 3180 TIP3 H2 A 0.417000 1.0079 - 9541 SYS 3181 TIP3 O1 C -0.834000 15.9994 - 9542 SYS 3181 TIP3 H1 A 0.417000 1.0079 - 9543 SYS 3181 TIP3 H2 A 0.417000 1.0079 - 9544 SYS 3182 TIP3 O1 C -0.834000 15.9994 - 9545 SYS 3182 TIP3 H1 A 0.417000 1.0079 - 9546 SYS 3182 TIP3 H2 A 0.417000 1.0079 - 9547 SYS 3183 TIP3 O1 C -0.834000 15.9994 - 9548 SYS 3183 TIP3 H1 A 0.417000 1.0079 - 9549 SYS 3183 TIP3 H2 A 0.417000 1.0079 - 9550 SYS 3184 TIP3 O1 C -0.834000 15.9994 - 9551 SYS 3184 TIP3 H1 A 0.417000 1.0079 - 9552 SYS 3184 TIP3 H2 A 0.417000 1.0079 - 9553 SYS 3185 TIP3 O1 C -0.834000 15.9994 - 9554 SYS 3185 TIP3 H1 A 0.417000 1.0079 - 9555 SYS 3185 TIP3 H2 A 0.417000 1.0079 - 9556 SYS 3186 TIP3 O1 C -0.834000 15.9994 - 9557 SYS 3186 TIP3 H1 A 0.417000 1.0079 - 9558 SYS 3186 TIP3 H2 A 0.417000 1.0079 - 9559 SYS 3187 TIP3 O1 C -0.834000 15.9994 - 9560 SYS 3187 TIP3 H1 A 0.417000 1.0079 - 9561 SYS 3187 TIP3 H2 A 0.417000 1.0079 - 9562 SYS 3188 TIP3 O1 C -0.834000 15.9994 - 9563 SYS 3188 TIP3 H1 A 0.417000 1.0079 - 9564 SYS 3188 TIP3 H2 A 0.417000 1.0079 - 9565 SYS 3189 TIP3 O1 C -0.834000 15.9994 - 9566 SYS 3189 TIP3 H1 A 0.417000 1.0079 - 9567 SYS 3189 TIP3 H2 A 0.417000 1.0079 - 9568 SYS 3190 TIP3 O1 C -0.834000 15.9994 - 9569 SYS 3190 TIP3 H1 A 0.417000 1.0079 - 9570 SYS 3190 TIP3 H2 A 0.417000 1.0079 - 9571 SYS 3191 TIP3 O1 C -0.834000 15.9994 - 9572 SYS 3191 TIP3 H1 A 0.417000 1.0079 - 9573 SYS 3191 TIP3 H2 A 0.417000 1.0079 - 9574 SYS 3192 TIP3 O1 C -0.834000 15.9994 - 9575 SYS 3192 TIP3 H1 A 0.417000 1.0079 - 9576 SYS 3192 TIP3 H2 A 0.417000 1.0079 - 9577 SYS 3193 TIP3 O1 C -0.834000 15.9994 - 9578 SYS 3193 TIP3 H1 A 0.417000 1.0079 - 9579 SYS 3193 TIP3 H2 A 0.417000 1.0079 - 9580 SYS 3194 TIP3 O1 C -0.834000 15.9994 - 9581 SYS 3194 TIP3 H1 A 0.417000 1.0079 - 9582 SYS 3194 TIP3 H2 A 0.417000 1.0079 - 9583 SYS 3195 TIP3 O1 C -0.834000 15.9994 - 9584 SYS 3195 TIP3 H1 A 0.417000 1.0079 - 9585 SYS 3195 TIP3 H2 A 0.417000 1.0079 - 9586 SYS 3196 TIP3 O1 C -0.834000 15.9994 - 9587 SYS 3196 TIP3 H1 A 0.417000 1.0079 - 9588 SYS 3196 TIP3 H2 A 0.417000 1.0079 - 9589 SYS 3197 TIP3 O1 C -0.834000 15.9994 - 9590 SYS 3197 TIP3 H1 A 0.417000 1.0079 - 9591 SYS 3197 TIP3 H2 A 0.417000 1.0079 - 9592 SYS 3198 TIP3 O1 C -0.834000 15.9994 - 9593 SYS 3198 TIP3 H1 A 0.417000 1.0079 - 9594 SYS 3198 TIP3 H2 A 0.417000 1.0079 - 9595 SYS 3199 TIP3 O1 C -0.834000 15.9994 - 9596 SYS 3199 TIP3 H1 A 0.417000 1.0079 - 9597 SYS 3199 TIP3 H2 A 0.417000 1.0079 - 9598 SYS 3200 TIP3 O1 C -0.834000 15.9994 - 9599 SYS 3200 TIP3 H1 A 0.417000 1.0079 - 9600 SYS 3200 TIP3 H2 A 0.417000 1.0079 - 9601 SYS 3201 TIP3 O1 C -0.834000 15.9994 - 9602 SYS 3201 TIP3 H1 A 0.417000 1.0079 - 9603 SYS 3201 TIP3 H2 A 0.417000 1.0079 - 9604 SYS 3202 TIP3 O1 C -0.834000 15.9994 - 9605 SYS 3202 TIP3 H1 A 0.417000 1.0079 - 9606 SYS 3202 TIP3 H2 A 0.417000 1.0079 - 9607 SYS 3203 TIP3 O1 C -0.834000 15.9994 - 9608 SYS 3203 TIP3 H1 A 0.417000 1.0079 - 9609 SYS 3203 TIP3 H2 A 0.417000 1.0079 - 9610 SYS 3204 TIP3 O1 C -0.834000 15.9994 - 9611 SYS 3204 TIP3 H1 A 0.417000 1.0079 - 9612 SYS 3204 TIP3 H2 A 0.417000 1.0079 - 9613 SYS 3205 TIP3 O1 C -0.834000 15.9994 - 9614 SYS 3205 TIP3 H1 A 0.417000 1.0079 - 9615 SYS 3205 TIP3 H2 A 0.417000 1.0079 - 9616 SYS 3206 TIP3 O1 C -0.834000 15.9994 - 9617 SYS 3206 TIP3 H1 A 0.417000 1.0079 - 9618 SYS 3206 TIP3 H2 A 0.417000 1.0079 - 9619 SYS 3207 TIP3 O1 C -0.834000 15.9994 - 9620 SYS 3207 TIP3 H1 A 0.417000 1.0079 - 9621 SYS 3207 TIP3 H2 A 0.417000 1.0079 - 9622 SYS 3208 TIP3 O1 C -0.834000 15.9994 - 9623 SYS 3208 TIP3 H1 A 0.417000 1.0079 - 9624 SYS 3208 TIP3 H2 A 0.417000 1.0079 - 9625 SYS 3209 TIP3 O1 C -0.834000 15.9994 - 9626 SYS 3209 TIP3 H1 A 0.417000 1.0079 - 9627 SYS 3209 TIP3 H2 A 0.417000 1.0079 - 9628 SYS 3210 TIP3 O1 C -0.834000 15.9994 - 9629 SYS 3210 TIP3 H1 A 0.417000 1.0079 - 9630 SYS 3210 TIP3 H2 A 0.417000 1.0079 - 9631 SYS 3211 TIP3 O1 C -0.834000 15.9994 - 9632 SYS 3211 TIP3 H1 A 0.417000 1.0079 - 9633 SYS 3211 TIP3 H2 A 0.417000 1.0079 - 9634 SYS 3212 TIP3 O1 C -0.834000 15.9994 - 9635 SYS 3212 TIP3 H1 A 0.417000 1.0079 - 9636 SYS 3212 TIP3 H2 A 0.417000 1.0079 - 9637 SYS 3213 TIP3 O1 C -0.834000 15.9994 - 9638 SYS 3213 TIP3 H1 A 0.417000 1.0079 - 9639 SYS 3213 TIP3 H2 A 0.417000 1.0079 - 9640 SYS 3214 TIP3 O1 C -0.834000 15.9994 - 9641 SYS 3214 TIP3 H1 A 0.417000 1.0079 - 9642 SYS 3214 TIP3 H2 A 0.417000 1.0079 - 9643 SYS 3215 TIP3 O1 C -0.834000 15.9994 - 9644 SYS 3215 TIP3 H1 A 0.417000 1.0079 - 9645 SYS 3215 TIP3 H2 A 0.417000 1.0079 - 9646 SYS 3216 TIP3 O1 C -0.834000 15.9994 - 9647 SYS 3216 TIP3 H1 A 0.417000 1.0079 - 9648 SYS 3216 TIP3 H2 A 0.417000 1.0079 - 9649 SYS 3217 TIP3 O1 C -0.834000 15.9994 - 9650 SYS 3217 TIP3 H1 A 0.417000 1.0079 - 9651 SYS 3217 TIP3 H2 A 0.417000 1.0079 - 9652 SYS 3218 TIP3 O1 C -0.834000 15.9994 - 9653 SYS 3218 TIP3 H1 A 0.417000 1.0079 - 9654 SYS 3218 TIP3 H2 A 0.417000 1.0079 - 9655 SYS 3219 TIP3 O1 C -0.834000 15.9994 - 9656 SYS 3219 TIP3 H1 A 0.417000 1.0079 - 9657 SYS 3219 TIP3 H2 A 0.417000 1.0079 - 9658 SYS 3220 TIP3 O1 C -0.834000 15.9994 - 9659 SYS 3220 TIP3 H1 A 0.417000 1.0079 - 9660 SYS 3220 TIP3 H2 A 0.417000 1.0079 - 9661 SYS 3221 TIP3 O1 C -0.834000 15.9994 - 9662 SYS 3221 TIP3 H1 A 0.417000 1.0079 - 9663 SYS 3221 TIP3 H2 A 0.417000 1.0079 - 9664 SYS 3222 TIP3 O1 C -0.834000 15.9994 - 9665 SYS 3222 TIP3 H1 A 0.417000 1.0079 - 9666 SYS 3222 TIP3 H2 A 0.417000 1.0079 - 9667 SYS 3223 TIP3 O1 C -0.834000 15.9994 - 9668 SYS 3223 TIP3 H1 A 0.417000 1.0079 - 9669 SYS 3223 TIP3 H2 A 0.417000 1.0079 - 9670 SYS 3224 TIP3 O1 C -0.834000 15.9994 - 9671 SYS 3224 TIP3 H1 A 0.417000 1.0079 - 9672 SYS 3224 TIP3 H2 A 0.417000 1.0079 - 9673 SYS 3225 TIP3 O1 C -0.834000 15.9994 - 9674 SYS 3225 TIP3 H1 A 0.417000 1.0079 - 9675 SYS 3225 TIP3 H2 A 0.417000 1.0079 - 9676 SYS 3226 TIP3 O1 C -0.834000 15.9994 - 9677 SYS 3226 TIP3 H1 A 0.417000 1.0079 - 9678 SYS 3226 TIP3 H2 A 0.417000 1.0079 - 9679 SYS 3227 TIP3 O1 C -0.834000 15.9994 - 9680 SYS 3227 TIP3 H1 A 0.417000 1.0079 - 9681 SYS 3227 TIP3 H2 A 0.417000 1.0079 - 9682 SYS 3228 TIP3 O1 C -0.834000 15.9994 - 9683 SYS 3228 TIP3 H1 A 0.417000 1.0079 - 9684 SYS 3228 TIP3 H2 A 0.417000 1.0079 - 9685 SYS 3229 TIP3 O1 C -0.834000 15.9994 - 9686 SYS 3229 TIP3 H1 A 0.417000 1.0079 - 9687 SYS 3229 TIP3 H2 A 0.417000 1.0079 - 9688 SYS 3230 TIP3 O1 C -0.834000 15.9994 - 9689 SYS 3230 TIP3 H1 A 0.417000 1.0079 - 9690 SYS 3230 TIP3 H2 A 0.417000 1.0079 - 9691 SYS 3231 TIP3 O1 C -0.834000 15.9994 - 9692 SYS 3231 TIP3 H1 A 0.417000 1.0079 - 9693 SYS 3231 TIP3 H2 A 0.417000 1.0079 - 9694 SYS 3232 TIP3 O1 C -0.834000 15.9994 - 9695 SYS 3232 TIP3 H1 A 0.417000 1.0079 - 9696 SYS 3232 TIP3 H2 A 0.417000 1.0079 - 9697 SYS 3233 TIP3 O1 C -0.834000 15.9994 - 9698 SYS 3233 TIP3 H1 A 0.417000 1.0079 - 9699 SYS 3233 TIP3 H2 A 0.417000 1.0079 - 9700 SYS 3234 TIP3 O1 C -0.834000 15.9994 - 9701 SYS 3234 TIP3 H1 A 0.417000 1.0079 - 9702 SYS 3234 TIP3 H2 A 0.417000 1.0079 - 9703 SYS 3235 TIP3 O1 C -0.834000 15.9994 - 9704 SYS 3235 TIP3 H1 A 0.417000 1.0079 - 9705 SYS 3235 TIP3 H2 A 0.417000 1.0079 - 9706 SYS 3236 TIP3 O1 C -0.834000 15.9994 - 9707 SYS 3236 TIP3 H1 A 0.417000 1.0079 - 9708 SYS 3236 TIP3 H2 A 0.417000 1.0079 - 9709 SYS 3237 TIP3 O1 C -0.834000 15.9994 - 9710 SYS 3237 TIP3 H1 A 0.417000 1.0079 - 9711 SYS 3237 TIP3 H2 A 0.417000 1.0079 - 9712 SYS 3238 TIP3 O1 C -0.834000 15.9994 - 9713 SYS 3238 TIP3 H1 A 0.417000 1.0079 - 9714 SYS 3238 TIP3 H2 A 0.417000 1.0079 - 9715 SYS 3239 TIP3 O1 C -0.834000 15.9994 - 9716 SYS 3239 TIP3 H1 A 0.417000 1.0079 - 9717 SYS 3239 TIP3 H2 A 0.417000 1.0079 - 9718 SYS 3240 TIP3 O1 C -0.834000 15.9994 - 9719 SYS 3240 TIP3 H1 A 0.417000 1.0079 - 9720 SYS 3240 TIP3 H2 A 0.417000 1.0079 - 9721 SYS 3241 TIP3 O1 C -0.834000 15.9994 - 9722 SYS 3241 TIP3 H1 A 0.417000 1.0079 - 9723 SYS 3241 TIP3 H2 A 0.417000 1.0079 - 9724 SYS 3242 TIP3 O1 C -0.834000 15.9994 - 9725 SYS 3242 TIP3 H1 A 0.417000 1.0079 - 9726 SYS 3242 TIP3 H2 A 0.417000 1.0079 - 9727 SYS 3243 TIP3 O1 C -0.834000 15.9994 - 9728 SYS 3243 TIP3 H1 A 0.417000 1.0079 - 9729 SYS 3243 TIP3 H2 A 0.417000 1.0079 - 9730 SYS 3244 TIP3 O1 C -0.834000 15.9994 - 9731 SYS 3244 TIP3 H1 A 0.417000 1.0079 - 9732 SYS 3244 TIP3 H2 A 0.417000 1.0079 - 9733 SYS 3245 TIP3 O1 C -0.834000 15.9994 - 9734 SYS 3245 TIP3 H1 A 0.417000 1.0079 - 9735 SYS 3245 TIP3 H2 A 0.417000 1.0079 - 9736 SYS 3246 TIP3 O1 C -0.834000 15.9994 - 9737 SYS 3246 TIP3 H1 A 0.417000 1.0079 - 9738 SYS 3246 TIP3 H2 A 0.417000 1.0079 - 9739 SYS 3247 TIP3 O1 C -0.834000 15.9994 - 9740 SYS 3247 TIP3 H1 A 0.417000 1.0079 - 9741 SYS 3247 TIP3 H2 A 0.417000 1.0079 - 9742 SYS 3248 TIP3 O1 C -0.834000 15.9994 - 9743 SYS 3248 TIP3 H1 A 0.417000 1.0079 - 9744 SYS 3248 TIP3 H2 A 0.417000 1.0079 - 9745 SYS 3249 TIP3 O1 C -0.834000 15.9994 - 9746 SYS 3249 TIP3 H1 A 0.417000 1.0079 - 9747 SYS 3249 TIP3 H2 A 0.417000 1.0079 - 9748 SYS 3250 TIP3 O1 C -0.834000 15.9994 - 9749 SYS 3250 TIP3 H1 A 0.417000 1.0079 - 9750 SYS 3250 TIP3 H2 A 0.417000 1.0079 - 9751 SYS 3251 TIP3 O1 C -0.834000 15.9994 - 9752 SYS 3251 TIP3 H1 A 0.417000 1.0079 - 9753 SYS 3251 TIP3 H2 A 0.417000 1.0079 - 9754 SYS 3252 TIP3 O1 C -0.834000 15.9994 - 9755 SYS 3252 TIP3 H1 A 0.417000 1.0079 - 9756 SYS 3252 TIP3 H2 A 0.417000 1.0079 - 9757 SYS 3253 TIP3 O1 C -0.834000 15.9994 - 9758 SYS 3253 TIP3 H1 A 0.417000 1.0079 - 9759 SYS 3253 TIP3 H2 A 0.417000 1.0079 - 9760 SYS 3254 TIP3 O1 C -0.834000 15.9994 - 9761 SYS 3254 TIP3 H1 A 0.417000 1.0079 - 9762 SYS 3254 TIP3 H2 A 0.417000 1.0079 - 9763 SYS 3255 TIP3 O1 C -0.834000 15.9994 - 9764 SYS 3255 TIP3 H1 A 0.417000 1.0079 - 9765 SYS 3255 TIP3 H2 A 0.417000 1.0079 - 9766 SYS 3256 TIP3 O1 C -0.834000 15.9994 - 9767 SYS 3256 TIP3 H1 A 0.417000 1.0079 - 9768 SYS 3256 TIP3 H2 A 0.417000 1.0079 - 9769 SYS 3257 TIP3 O1 C -0.834000 15.9994 - 9770 SYS 3257 TIP3 H1 A 0.417000 1.0079 - 9771 SYS 3257 TIP3 H2 A 0.417000 1.0079 - 9772 SYS 3258 TIP3 O1 C -0.834000 15.9994 - 9773 SYS 3258 TIP3 H1 A 0.417000 1.0079 - 9774 SYS 3258 TIP3 H2 A 0.417000 1.0079 - 9775 SYS 3259 TIP3 O1 C -0.834000 15.9994 - 9776 SYS 3259 TIP3 H1 A 0.417000 1.0079 - 9777 SYS 3259 TIP3 H2 A 0.417000 1.0079 - 9778 SYS 3260 TIP3 O1 C -0.834000 15.9994 - 9779 SYS 3260 TIP3 H1 A 0.417000 1.0079 - 9780 SYS 3260 TIP3 H2 A 0.417000 1.0079 - 9781 SYS 3261 TIP3 O1 C -0.834000 15.9994 - 9782 SYS 3261 TIP3 H1 A 0.417000 1.0079 - 9783 SYS 3261 TIP3 H2 A 0.417000 1.0079 - 9784 SYS 3262 TIP3 O1 C -0.834000 15.9994 - 9785 SYS 3262 TIP3 H1 A 0.417000 1.0079 - 9786 SYS 3262 TIP3 H2 A 0.417000 1.0079 - 9787 SYS 3263 TIP3 O1 C -0.834000 15.9994 - 9788 SYS 3263 TIP3 H1 A 0.417000 1.0079 - 9789 SYS 3263 TIP3 H2 A 0.417000 1.0079 - 9790 SYS 3264 TIP3 O1 C -0.834000 15.9994 - 9791 SYS 3264 TIP3 H1 A 0.417000 1.0079 - 9792 SYS 3264 TIP3 H2 A 0.417000 1.0079 - 9793 SYS 3265 TIP3 O1 C -0.834000 15.9994 - 9794 SYS 3265 TIP3 H1 A 0.417000 1.0079 - 9795 SYS 3265 TIP3 H2 A 0.417000 1.0079 - 9796 SYS 3266 TIP3 O1 C -0.834000 15.9994 - 9797 SYS 3266 TIP3 H1 A 0.417000 1.0079 - 9798 SYS 3266 TIP3 H2 A 0.417000 1.0079 - 9799 SYS 3267 TIP3 O1 C -0.834000 15.9994 - 9800 SYS 3267 TIP3 H1 A 0.417000 1.0079 - 9801 SYS 3267 TIP3 H2 A 0.417000 1.0079 - 9802 SYS 3268 TIP3 O1 C -0.834000 15.9994 - 9803 SYS 3268 TIP3 H1 A 0.417000 1.0079 - 9804 SYS 3268 TIP3 H2 A 0.417000 1.0079 - 9805 SYS 3269 TIP3 O1 C -0.834000 15.9994 - 9806 SYS 3269 TIP3 H1 A 0.417000 1.0079 - 9807 SYS 3269 TIP3 H2 A 0.417000 1.0079 - 9808 SYS 3270 TIP3 O1 C -0.834000 15.9994 - 9809 SYS 3270 TIP3 H1 A 0.417000 1.0079 - 9810 SYS 3270 TIP3 H2 A 0.417000 1.0079 - 9811 SYS 3271 TIP3 O1 C -0.834000 15.9994 - 9812 SYS 3271 TIP3 H1 A 0.417000 1.0079 - 9813 SYS 3271 TIP3 H2 A 0.417000 1.0079 - 9814 SYS 3272 TIP3 O1 C -0.834000 15.9994 - 9815 SYS 3272 TIP3 H1 A 0.417000 1.0079 - 9816 SYS 3272 TIP3 H2 A 0.417000 1.0079 - 9817 SYS 3273 TIP3 O1 C -0.834000 15.9994 - 9818 SYS 3273 TIP3 H1 A 0.417000 1.0079 - 9819 SYS 3273 TIP3 H2 A 0.417000 1.0079 - 9820 SYS 3274 TIP3 O1 C -0.834000 15.9994 - 9821 SYS 3274 TIP3 H1 A 0.417000 1.0079 - 9822 SYS 3274 TIP3 H2 A 0.417000 1.0079 - 9823 SYS 3275 TIP3 O1 C -0.834000 15.9994 - 9824 SYS 3275 TIP3 H1 A 0.417000 1.0079 - 9825 SYS 3275 TIP3 H2 A 0.417000 1.0079 - 9826 SYS 3276 TIP3 O1 C -0.834000 15.9994 - 9827 SYS 3276 TIP3 H1 A 0.417000 1.0079 - 9828 SYS 3276 TIP3 H2 A 0.417000 1.0079 - 9829 SYS 3277 TIP3 O1 C -0.834000 15.9994 - 9830 SYS 3277 TIP3 H1 A 0.417000 1.0079 - 9831 SYS 3277 TIP3 H2 A 0.417000 1.0079 - 9832 SYS 3278 TIP3 O1 C -0.834000 15.9994 - 9833 SYS 3278 TIP3 H1 A 0.417000 1.0079 - 9834 SYS 3278 TIP3 H2 A 0.417000 1.0079 - 9835 SYS 3279 TIP3 O1 C -0.834000 15.9994 - 9836 SYS 3279 TIP3 H1 A 0.417000 1.0079 - 9837 SYS 3279 TIP3 H2 A 0.417000 1.0079 - 9838 SYS 3280 TIP3 O1 C -0.834000 15.9994 - 9839 SYS 3280 TIP3 H1 A 0.417000 1.0079 - 9840 SYS 3280 TIP3 H2 A 0.417000 1.0079 - 9841 SYS 3281 TIP3 O1 C -0.834000 15.9994 - 9842 SYS 3281 TIP3 H1 A 0.417000 1.0079 - 9843 SYS 3281 TIP3 H2 A 0.417000 1.0079 - 9844 SYS 3282 TIP3 O1 C -0.834000 15.9994 - 9845 SYS 3282 TIP3 H1 A 0.417000 1.0079 - 9846 SYS 3282 TIP3 H2 A 0.417000 1.0079 - 9847 SYS 3283 TIP3 O1 C -0.834000 15.9994 - 9848 SYS 3283 TIP3 H1 A 0.417000 1.0079 - 9849 SYS 3283 TIP3 H2 A 0.417000 1.0079 - 9850 SYS 3284 TIP3 O1 C -0.834000 15.9994 - 9851 SYS 3284 TIP3 H1 A 0.417000 1.0079 - 9852 SYS 3284 TIP3 H2 A 0.417000 1.0079 - 9853 SYS 3285 TIP3 O1 C -0.834000 15.9994 - 9854 SYS 3285 TIP3 H1 A 0.417000 1.0079 - 9855 SYS 3285 TIP3 H2 A 0.417000 1.0079 - 9856 SYS 3286 TIP3 O1 C -0.834000 15.9994 - 9857 SYS 3286 TIP3 H1 A 0.417000 1.0079 - 9858 SYS 3286 TIP3 H2 A 0.417000 1.0079 - 9859 SYS 3287 TIP3 O1 C -0.834000 15.9994 - 9860 SYS 3287 TIP3 H1 A 0.417000 1.0079 - 9861 SYS 3287 TIP3 H2 A 0.417000 1.0079 - 9862 SYS 3288 TIP3 O1 C -0.834000 15.9994 - 9863 SYS 3288 TIP3 H1 A 0.417000 1.0079 - 9864 SYS 3288 TIP3 H2 A 0.417000 1.0079 - 9865 SYS 3289 TIP3 O1 C -0.834000 15.9994 - 9866 SYS 3289 TIP3 H1 A 0.417000 1.0079 - 9867 SYS 3289 TIP3 H2 A 0.417000 1.0079 - 9868 SYS 3290 TIP3 O1 C -0.834000 15.9994 - 9869 SYS 3290 TIP3 H1 A 0.417000 1.0079 - 9870 SYS 3290 TIP3 H2 A 0.417000 1.0079 - 9871 SYS 3291 TIP3 O1 C -0.834000 15.9994 - 9872 SYS 3291 TIP3 H1 A 0.417000 1.0079 - 9873 SYS 3291 TIP3 H2 A 0.417000 1.0079 - 9874 SYS 3292 TIP3 O1 C -0.834000 15.9994 - 9875 SYS 3292 TIP3 H1 A 0.417000 1.0079 - 9876 SYS 3292 TIP3 H2 A 0.417000 1.0079 - 9877 SYS 3293 TIP3 O1 C -0.834000 15.9994 - 9878 SYS 3293 TIP3 H1 A 0.417000 1.0079 - 9879 SYS 3293 TIP3 H2 A 0.417000 1.0079 - 9880 SYS 3294 TIP3 O1 C -0.834000 15.9994 - 9881 SYS 3294 TIP3 H1 A 0.417000 1.0079 - 9882 SYS 3294 TIP3 H2 A 0.417000 1.0079 - 9883 SYS 3295 TIP3 O1 C -0.834000 15.9994 - 9884 SYS 3295 TIP3 H1 A 0.417000 1.0079 - 9885 SYS 3295 TIP3 H2 A 0.417000 1.0079 - 9886 SYS 3296 TIP3 O1 C -0.834000 15.9994 - 9887 SYS 3296 TIP3 H1 A 0.417000 1.0079 - 9888 SYS 3296 TIP3 H2 A 0.417000 1.0079 - 9889 SYS 3297 TIP3 O1 C -0.834000 15.9994 - 9890 SYS 3297 TIP3 H1 A 0.417000 1.0079 - 9891 SYS 3297 TIP3 H2 A 0.417000 1.0079 - 9892 SYS 3298 TIP3 O1 C -0.834000 15.9994 - 9893 SYS 3298 TIP3 H1 A 0.417000 1.0079 - 9894 SYS 3298 TIP3 H2 A 0.417000 1.0079 - 9895 SYS 3299 TIP3 O1 C -0.834000 15.9994 - 9896 SYS 3299 TIP3 H1 A 0.417000 1.0079 - 9897 SYS 3299 TIP3 H2 A 0.417000 1.0079 - 9898 SYS 3300 TIP3 O1 C -0.834000 15.9994 - 9899 SYS 3300 TIP3 H1 A 0.417000 1.0079 - 9900 SYS 3300 TIP3 H2 A 0.417000 1.0079 - 9901 SYS 3301 TIP3 O1 C -0.834000 15.9994 - 9902 SYS 3301 TIP3 H1 A 0.417000 1.0079 - 9903 SYS 3301 TIP3 H2 A 0.417000 1.0079 - 9904 SYS 3302 TIP3 O1 C -0.834000 15.9994 - 9905 SYS 3302 TIP3 H1 A 0.417000 1.0079 - 9906 SYS 3302 TIP3 H2 A 0.417000 1.0079 - 9907 SYS 3303 TIP3 O1 C -0.834000 15.9994 - 9908 SYS 3303 TIP3 H1 A 0.417000 1.0079 - 9909 SYS 3303 TIP3 H2 A 0.417000 1.0079 - 9910 SYS 3304 TIP3 O1 C -0.834000 15.9994 - 9911 SYS 3304 TIP3 H1 A 0.417000 1.0079 - 9912 SYS 3304 TIP3 H2 A 0.417000 1.0079 - 9913 SYS 3305 TIP3 O1 C -0.834000 15.9994 - 9914 SYS 3305 TIP3 H1 A 0.417000 1.0079 - 9915 SYS 3305 TIP3 H2 A 0.417000 1.0079 - 9916 SYS 3306 TIP3 O1 C -0.834000 15.9994 - 9917 SYS 3306 TIP3 H1 A 0.417000 1.0079 - 9918 SYS 3306 TIP3 H2 A 0.417000 1.0079 - 9919 SYS 3307 TIP3 O1 C -0.834000 15.9994 - 9920 SYS 3307 TIP3 H1 A 0.417000 1.0079 - 9921 SYS 3307 TIP3 H2 A 0.417000 1.0079 - 9922 SYS 3308 TIP3 O1 C -0.834000 15.9994 - 9923 SYS 3308 TIP3 H1 A 0.417000 1.0079 - 9924 SYS 3308 TIP3 H2 A 0.417000 1.0079 - 9925 SYS 3309 TIP3 O1 C -0.834000 15.9994 - 9926 SYS 3309 TIP3 H1 A 0.417000 1.0079 - 9927 SYS 3309 TIP3 H2 A 0.417000 1.0079 - 9928 SYS 3310 TIP3 O1 C -0.834000 15.9994 - 9929 SYS 3310 TIP3 H1 A 0.417000 1.0079 - 9930 SYS 3310 TIP3 H2 A 0.417000 1.0079 - 9931 SYS 3311 TIP3 O1 C -0.834000 15.9994 - 9932 SYS 3311 TIP3 H1 A 0.417000 1.0079 - 9933 SYS 3311 TIP3 H2 A 0.417000 1.0079 - 9934 SYS 3312 TIP3 O1 C -0.834000 15.9994 - 9935 SYS 3312 TIP3 H1 A 0.417000 1.0079 - 9936 SYS 3312 TIP3 H2 A 0.417000 1.0079 - 9937 SYS 3313 TIP3 O1 C -0.834000 15.9994 - 9938 SYS 3313 TIP3 H1 A 0.417000 1.0079 - 9939 SYS 3313 TIP3 H2 A 0.417000 1.0079 - 9940 SYS 3314 TIP3 O1 C -0.834000 15.9994 - 9941 SYS 3314 TIP3 H1 A 0.417000 1.0079 - 9942 SYS 3314 TIP3 H2 A 0.417000 1.0079 - 9943 SYS 3315 TIP3 O1 C -0.834000 15.9994 - 9944 SYS 3315 TIP3 H1 A 0.417000 1.0079 - 9945 SYS 3315 TIP3 H2 A 0.417000 1.0079 - 9946 SYS 3316 TIP3 O1 C -0.834000 15.9994 - 9947 SYS 3316 TIP3 H1 A 0.417000 1.0079 - 9948 SYS 3316 TIP3 H2 A 0.417000 1.0079 - 9949 SYS 3317 TIP3 O1 C -0.834000 15.9994 - 9950 SYS 3317 TIP3 H1 A 0.417000 1.0079 - 9951 SYS 3317 TIP3 H2 A 0.417000 1.0079 - 9952 SYS 3318 TIP3 O1 C -0.834000 15.9994 - 9953 SYS 3318 TIP3 H1 A 0.417000 1.0079 - 9954 SYS 3318 TIP3 H2 A 0.417000 1.0079 - 9955 SYS 3319 TIP3 O1 C -0.834000 15.9994 - 9956 SYS 3319 TIP3 H1 A 0.417000 1.0079 - 9957 SYS 3319 TIP3 H2 A 0.417000 1.0079 - 9958 SYS 3320 TIP3 O1 C -0.834000 15.9994 - 9959 SYS 3320 TIP3 H1 A 0.417000 1.0079 - 9960 SYS 3320 TIP3 H2 A 0.417000 1.0079 - 9961 SYS 3321 TIP3 O1 C -0.834000 15.9994 - 9962 SYS 3321 TIP3 H1 A 0.417000 1.0079 - 9963 SYS 3321 TIP3 H2 A 0.417000 1.0079 - 9964 SYS 3322 TIP3 O1 C -0.834000 15.9994 - 9965 SYS 3322 TIP3 H1 A 0.417000 1.0079 - 9966 SYS 3322 TIP3 H2 A 0.417000 1.0079 - 9967 SYS 3323 TIP3 O1 C -0.834000 15.9994 - 9968 SYS 3323 TIP3 H1 A 0.417000 1.0079 - 9969 SYS 3323 TIP3 H2 A 0.417000 1.0079 - 9970 SYS 3324 TIP3 O1 C -0.834000 15.9994 - 9971 SYS 3324 TIP3 H1 A 0.417000 1.0079 - 9972 SYS 3324 TIP3 H2 A 0.417000 1.0079 - 9973 SYS 3325 TIP3 O1 C -0.834000 15.9994 - 9974 SYS 3325 TIP3 H1 A 0.417000 1.0079 - 9975 SYS 3325 TIP3 H2 A 0.417000 1.0079 - 9976 SYS 3326 TIP3 O1 C -0.834000 15.9994 - 9977 SYS 3326 TIP3 H1 A 0.417000 1.0079 - 9978 SYS 3326 TIP3 H2 A 0.417000 1.0079 - 9979 SYS 3327 TIP3 O1 C -0.834000 15.9994 - 9980 SYS 3327 TIP3 H1 A 0.417000 1.0079 - 9981 SYS 3327 TIP3 H2 A 0.417000 1.0079 - 9982 SYS 3328 TIP3 O1 C -0.834000 15.9994 - 9983 SYS 3328 TIP3 H1 A 0.417000 1.0079 - 9984 SYS 3328 TIP3 H2 A 0.417000 1.0079 - 9985 SYS 3329 TIP3 O1 C -0.834000 15.9994 - 9986 SYS 3329 TIP3 H1 A 0.417000 1.0079 - 9987 SYS 3329 TIP3 H2 A 0.417000 1.0079 - 9988 SYS 3330 TIP3 O1 C -0.834000 15.9994 - 9989 SYS 3330 TIP3 H1 A 0.417000 1.0079 - 9990 SYS 3330 TIP3 H2 A 0.417000 1.0079 - 9991 SYS 3331 TIP3 O1 C -0.834000 15.9994 - 9992 SYS 3331 TIP3 H1 A 0.417000 1.0079 - 9993 SYS 3331 TIP3 H2 A 0.417000 1.0079 - 9994 SYS 3332 TIP3 O1 C -0.834000 15.9994 - 9995 SYS 3332 TIP3 H1 A 0.417000 1.0079 - 9996 SYS 3332 TIP3 H2 A 0.417000 1.0079 - 9997 SYS 3333 TIP3 O1 C -0.834000 15.9994 - 9998 SYS 3333 TIP3 H1 A 0.417000 1.0079 - 9999 SYS 3333 TIP3 H2 A 0.417000 1.0079 - 10000 SYS 3334 TIP3 O1 C -0.834000 15.9994 - 10001 SYS 3334 TIP3 H1 A 0.417000 1.0079 - 10002 SYS 3334 TIP3 H2 A 0.417000 1.0079 - 10003 SYS 3335 TIP3 O1 C -0.834000 15.9994 - 10004 SYS 3335 TIP3 H1 A 0.417000 1.0079 - 10005 SYS 3335 TIP3 H2 A 0.417000 1.0079 - 10006 SYS 3336 TIP3 O1 C -0.834000 15.9994 - 10007 SYS 3336 TIP3 H1 A 0.417000 1.0079 - 10008 SYS 3336 TIP3 H2 A 0.417000 1.0079 - 10009 SYS 3337 TIP3 O1 C -0.834000 15.9994 - 10010 SYS 3337 TIP3 H1 A 0.417000 1.0079 - 10011 SYS 3337 TIP3 H2 A 0.417000 1.0079 - 10012 SYS 3338 TIP3 O1 C -0.834000 15.9994 - 10013 SYS 3338 TIP3 H1 A 0.417000 1.0079 - 10014 SYS 3338 TIP3 H2 A 0.417000 1.0079 - 10015 SYS 3339 TIP3 O1 C -0.834000 15.9994 - 10016 SYS 3339 TIP3 H1 A 0.417000 1.0079 - 10017 SYS 3339 TIP3 H2 A 0.417000 1.0079 - 10018 SYS 3340 TIP3 O1 C -0.834000 15.9994 - 10019 SYS 3340 TIP3 H1 A 0.417000 1.0079 - 10020 SYS 3340 TIP3 H2 A 0.417000 1.0079 - 10021 SYS 3341 TIP3 O1 C -0.834000 15.9994 - 10022 SYS 3341 TIP3 H1 A 0.417000 1.0079 - 10023 SYS 3341 TIP3 H2 A 0.417000 1.0079 - 10024 SYS 3342 TIP3 O1 C -0.834000 15.9994 - 10025 SYS 3342 TIP3 H1 A 0.417000 1.0079 - 10026 SYS 3342 TIP3 H2 A 0.417000 1.0079 - 10027 SYS 3343 TIP3 O1 C -0.834000 15.9994 - 10028 SYS 3343 TIP3 H1 A 0.417000 1.0079 - 10029 SYS 3343 TIP3 H2 A 0.417000 1.0079 - 10030 SYS 3344 TIP3 O1 C -0.834000 15.9994 - 10031 SYS 3344 TIP3 H1 A 0.417000 1.0079 - 10032 SYS 3344 TIP3 H2 A 0.417000 1.0079 - 10033 SYS 3345 TIP3 O1 C -0.834000 15.9994 - 10034 SYS 3345 TIP3 H1 A 0.417000 1.0079 - 10035 SYS 3345 TIP3 H2 A 0.417000 1.0079 - 10036 SYS 3346 TIP3 O1 C -0.834000 15.9994 - 10037 SYS 3346 TIP3 H1 A 0.417000 1.0079 - 10038 SYS 3346 TIP3 H2 A 0.417000 1.0079 - 10039 SYS 3347 TIP3 O1 C -0.834000 15.9994 - 10040 SYS 3347 TIP3 H1 A 0.417000 1.0079 - 10041 SYS 3347 TIP3 H2 A 0.417000 1.0079 - 10042 SYS 3348 TIP3 O1 C -0.834000 15.9994 - 10043 SYS 3348 TIP3 H1 A 0.417000 1.0079 - 10044 SYS 3348 TIP3 H2 A 0.417000 1.0079 - 10045 SYS 3349 TIP3 O1 C -0.834000 15.9994 - 10046 SYS 3349 TIP3 H1 A 0.417000 1.0079 - 10047 SYS 3349 TIP3 H2 A 0.417000 1.0079 - 10048 SYS 3350 TIP3 O1 C -0.834000 15.9994 - 10049 SYS 3350 TIP3 H1 A 0.417000 1.0079 - 10050 SYS 3350 TIP3 H2 A 0.417000 1.0079 - 10051 SYS 3351 TIP3 O1 C -0.834000 15.9994 - 10052 SYS 3351 TIP3 H1 A 0.417000 1.0079 - 10053 SYS 3351 TIP3 H2 A 0.417000 1.0079 - 10054 SYS 3352 TIP3 O1 C -0.834000 15.9994 - 10055 SYS 3352 TIP3 H1 A 0.417000 1.0079 - 10056 SYS 3352 TIP3 H2 A 0.417000 1.0079 - 10057 SYS 3353 TIP3 O1 C -0.834000 15.9994 - 10058 SYS 3353 TIP3 H1 A 0.417000 1.0079 - 10059 SYS 3353 TIP3 H2 A 0.417000 1.0079 - 10060 SYS 3354 TIP3 O1 C -0.834000 15.9994 - 10061 SYS 3354 TIP3 H1 A 0.417000 1.0079 - 10062 SYS 3354 TIP3 H2 A 0.417000 1.0079 - 10063 SYS 3355 TIP3 O1 C -0.834000 15.9994 - 10064 SYS 3355 TIP3 H1 A 0.417000 1.0079 - 10065 SYS 3355 TIP3 H2 A 0.417000 1.0079 - 10066 SYS 3356 TIP3 O1 C -0.834000 15.9994 - 10067 SYS 3356 TIP3 H1 A 0.417000 1.0079 - 10068 SYS 3356 TIP3 H2 A 0.417000 1.0079 - 10069 SYS 3357 TIP3 O1 C -0.834000 15.9994 - 10070 SYS 3357 TIP3 H1 A 0.417000 1.0079 - 10071 SYS 3357 TIP3 H2 A 0.417000 1.0079 - 10072 SYS 3358 TIP3 O1 C -0.834000 15.9994 - 10073 SYS 3358 TIP3 H1 A 0.417000 1.0079 - 10074 SYS 3358 TIP3 H2 A 0.417000 1.0079 - 10075 SYS 3359 TIP3 O1 C -0.834000 15.9994 - 10076 SYS 3359 TIP3 H1 A 0.417000 1.0079 - 10077 SYS 3359 TIP3 H2 A 0.417000 1.0079 - 10078 SYS 3360 TIP3 O1 C -0.834000 15.9994 - 10079 SYS 3360 TIP3 H1 A 0.417000 1.0079 - 10080 SYS 3360 TIP3 H2 A 0.417000 1.0079 - 10081 SYS 3361 TIP3 O1 C -0.834000 15.9994 - 10082 SYS 3361 TIP3 H1 A 0.417000 1.0079 - 10083 SYS 3361 TIP3 H2 A 0.417000 1.0079 - 10084 SYS 3362 TIP3 O1 C -0.834000 15.9994 - 10085 SYS 3362 TIP3 H1 A 0.417000 1.0079 - 10086 SYS 3362 TIP3 H2 A 0.417000 1.0079 - 10087 SYS 3363 TIP3 O1 C -0.834000 15.9994 - 10088 SYS 3363 TIP3 H1 A 0.417000 1.0079 - 10089 SYS 3363 TIP3 H2 A 0.417000 1.0079 - 10090 SYS 3364 TIP3 O1 C -0.834000 15.9994 - 10091 SYS 3364 TIP3 H1 A 0.417000 1.0079 - 10092 SYS 3364 TIP3 H2 A 0.417000 1.0079 - 10093 SYS 3365 TIP3 O1 C -0.834000 15.9994 - 10094 SYS 3365 TIP3 H1 A 0.417000 1.0079 - 10095 SYS 3365 TIP3 H2 A 0.417000 1.0079 - 10096 SYS 3366 TIP3 O1 C -0.834000 15.9994 - 10097 SYS 3366 TIP3 H1 A 0.417000 1.0079 - 10098 SYS 3366 TIP3 H2 A 0.417000 1.0079 - 10099 SYS 3367 TIP3 O1 C -0.834000 15.9994 - 10100 SYS 3367 TIP3 H1 A 0.417000 1.0079 - 10101 SYS 3367 TIP3 H2 A 0.417000 1.0079 - 10102 SYS 3368 TIP3 O1 C -0.834000 15.9994 - 10103 SYS 3368 TIP3 H1 A 0.417000 1.0079 - 10104 SYS 3368 TIP3 H2 A 0.417000 1.0079 - 10105 SYS 3369 TIP3 O1 C -0.834000 15.9994 - 10106 SYS 3369 TIP3 H1 A 0.417000 1.0079 - 10107 SYS 3369 TIP3 H2 A 0.417000 1.0079 - 10108 SYS 3370 TIP3 O1 C -0.834000 15.9994 - 10109 SYS 3370 TIP3 H1 A 0.417000 1.0079 - 10110 SYS 3370 TIP3 H2 A 0.417000 1.0079 - 10111 SYS 3371 TIP3 O1 C -0.834000 15.9994 - 10112 SYS 3371 TIP3 H1 A 0.417000 1.0079 - 10113 SYS 3371 TIP3 H2 A 0.417000 1.0079 - 10114 SYS 3372 TIP3 O1 C -0.834000 15.9994 - 10115 SYS 3372 TIP3 H1 A 0.417000 1.0079 - 10116 SYS 3372 TIP3 H2 A 0.417000 1.0079 - 10117 SYS 3373 TIP3 O1 C -0.834000 15.9994 - 10118 SYS 3373 TIP3 H1 A 0.417000 1.0079 - 10119 SYS 3373 TIP3 H2 A 0.417000 1.0079 - 10120 SYS 3374 TIP3 O1 C -0.834000 15.9994 - 10121 SYS 3374 TIP3 H1 A 0.417000 1.0079 - 10122 SYS 3374 TIP3 H2 A 0.417000 1.0079 - 10123 SYS 3375 TIP3 O1 C -0.834000 15.9994 - 10124 SYS 3375 TIP3 H1 A 0.417000 1.0079 - 10125 SYS 3375 TIP3 H2 A 0.417000 1.0079 - 10126 SYS 3376 TIP3 O1 C -0.834000 15.9994 - 10127 SYS 3376 TIP3 H1 A 0.417000 1.0079 - 10128 SYS 3376 TIP3 H2 A 0.417000 1.0079 - 10129 SYS 3377 TIP3 O1 C -0.834000 15.9994 - 10130 SYS 3377 TIP3 H1 A 0.417000 1.0079 - 10131 SYS 3377 TIP3 H2 A 0.417000 1.0079 - 10132 SYS 3378 TIP3 O1 C -0.834000 15.9994 - 10133 SYS 3378 TIP3 H1 A 0.417000 1.0079 - 10134 SYS 3378 TIP3 H2 A 0.417000 1.0079 - 10135 SYS 3379 TIP3 O1 C -0.834000 15.9994 - 10136 SYS 3379 TIP3 H1 A 0.417000 1.0079 - 10137 SYS 3379 TIP3 H2 A 0.417000 1.0079 - 10138 SYS 3380 TIP3 O1 C -0.834000 15.9994 - 10139 SYS 3380 TIP3 H1 A 0.417000 1.0079 - 10140 SYS 3380 TIP3 H2 A 0.417000 1.0079 - 10141 SYS 3381 TIP3 O1 C -0.834000 15.9994 - 10142 SYS 3381 TIP3 H1 A 0.417000 1.0079 - 10143 SYS 3381 TIP3 H2 A 0.417000 1.0079 - 10144 SYS 3382 TIP3 O1 C -0.834000 15.9994 - 10145 SYS 3382 TIP3 H1 A 0.417000 1.0079 - 10146 SYS 3382 TIP3 H2 A 0.417000 1.0079 - 10147 SYS 3383 TIP3 O1 C -0.834000 15.9994 - 10148 SYS 3383 TIP3 H1 A 0.417000 1.0079 - 10149 SYS 3383 TIP3 H2 A 0.417000 1.0079 - 10150 SYS 3384 TIP3 O1 C -0.834000 15.9994 - 10151 SYS 3384 TIP3 H1 A 0.417000 1.0079 - 10152 SYS 3384 TIP3 H2 A 0.417000 1.0079 - 10153 SYS 3385 TIP3 O1 C -0.834000 15.9994 - 10154 SYS 3385 TIP3 H1 A 0.417000 1.0079 - 10155 SYS 3385 TIP3 H2 A 0.417000 1.0079 - 10156 SYS 3386 TIP3 O1 C -0.834000 15.9994 - 10157 SYS 3386 TIP3 H1 A 0.417000 1.0079 - 10158 SYS 3386 TIP3 H2 A 0.417000 1.0079 - 10159 SYS 3387 TIP3 O1 C -0.834000 15.9994 - 10160 SYS 3387 TIP3 H1 A 0.417000 1.0079 - 10161 SYS 3387 TIP3 H2 A 0.417000 1.0079 - 10162 SYS 3388 TIP3 O1 C -0.834000 15.9994 - 10163 SYS 3388 TIP3 H1 A 0.417000 1.0079 - 10164 SYS 3388 TIP3 H2 A 0.417000 1.0079 - 10165 SYS 3389 TIP3 O1 C -0.834000 15.9994 - 10166 SYS 3389 TIP3 H1 A 0.417000 1.0079 - 10167 SYS 3389 TIP3 H2 A 0.417000 1.0079 - 10168 SYS 3390 TIP3 O1 C -0.834000 15.9994 - 10169 SYS 3390 TIP3 H1 A 0.417000 1.0079 - 10170 SYS 3390 TIP3 H2 A 0.417000 1.0079 - 10171 SYS 3391 TIP3 O1 C -0.834000 15.9994 - 10172 SYS 3391 TIP3 H1 A 0.417000 1.0079 - 10173 SYS 3391 TIP3 H2 A 0.417000 1.0079 - 10174 SYS 3392 TIP3 O1 C -0.834000 15.9994 - 10175 SYS 3392 TIP3 H1 A 0.417000 1.0079 - 10176 SYS 3392 TIP3 H2 A 0.417000 1.0079 - 10177 SYS 3393 TIP3 O1 C -0.834000 15.9994 - 10178 SYS 3393 TIP3 H1 A 0.417000 1.0079 - 10179 SYS 3393 TIP3 H2 A 0.417000 1.0079 - 10180 SYS 3394 TIP3 O1 C -0.834000 15.9994 - 10181 SYS 3394 TIP3 H1 A 0.417000 1.0079 - 10182 SYS 3394 TIP3 H2 A 0.417000 1.0079 - 10183 SYS 3395 TIP3 O1 C -0.834000 15.9994 - 10184 SYS 3395 TIP3 H1 A 0.417000 1.0079 - 10185 SYS 3395 TIP3 H2 A 0.417000 1.0079 - 10186 SYS 3396 TIP3 O1 C -0.834000 15.9994 - 10187 SYS 3396 TIP3 H1 A 0.417000 1.0079 - 10188 SYS 3396 TIP3 H2 A 0.417000 1.0079 - 10189 SYS 3397 TIP3 O1 C -0.834000 15.9994 - 10190 SYS 3397 TIP3 H1 A 0.417000 1.0079 - 10191 SYS 3397 TIP3 H2 A 0.417000 1.0079 - 10192 SYS 3398 TIP3 O1 C -0.834000 15.9994 - 10193 SYS 3398 TIP3 H1 A 0.417000 1.0079 - 10194 SYS 3398 TIP3 H2 A 0.417000 1.0079 - 10195 SYS 3399 TIP3 O1 C -0.834000 15.9994 - 10196 SYS 3399 TIP3 H1 A 0.417000 1.0079 - 10197 SYS 3399 TIP3 H2 A 0.417000 1.0079 - 10198 SYS 3400 TIP3 O1 C -0.834000 15.9994 - 10199 SYS 3400 TIP3 H1 A 0.417000 1.0079 - 10200 SYS 3400 TIP3 H2 A 0.417000 1.0079 - 10201 SYS 3401 TIP3 O1 C -0.834000 15.9994 - 10202 SYS 3401 TIP3 H1 A 0.417000 1.0079 - 10203 SYS 3401 TIP3 H2 A 0.417000 1.0079 - 10204 SYS 3402 TIP3 O1 C -0.834000 15.9994 - 10205 SYS 3402 TIP3 H1 A 0.417000 1.0079 - 10206 SYS 3402 TIP3 H2 A 0.417000 1.0079 - 10207 SYS 3403 TIP3 O1 C -0.834000 15.9994 - 10208 SYS 3403 TIP3 H1 A 0.417000 1.0079 - 10209 SYS 3403 TIP3 H2 A 0.417000 1.0079 - 10210 SYS 3404 TIP3 O1 C -0.834000 15.9994 - 10211 SYS 3404 TIP3 H1 A 0.417000 1.0079 - 10212 SYS 3404 TIP3 H2 A 0.417000 1.0079 - 10213 SYS 3405 TIP3 O1 C -0.834000 15.9994 - 10214 SYS 3405 TIP3 H1 A 0.417000 1.0079 - 10215 SYS 3405 TIP3 H2 A 0.417000 1.0079 - 10216 SYS 3406 TIP3 O1 C -0.834000 15.9994 - 10217 SYS 3406 TIP3 H1 A 0.417000 1.0079 - 10218 SYS 3406 TIP3 H2 A 0.417000 1.0079 - 10219 SYS 3407 TIP3 O1 C -0.834000 15.9994 - 10220 SYS 3407 TIP3 H1 A 0.417000 1.0079 - 10221 SYS 3407 TIP3 H2 A 0.417000 1.0079 - 10222 SYS 3408 TIP3 O1 C -0.834000 15.9994 - 10223 SYS 3408 TIP3 H1 A 0.417000 1.0079 - 10224 SYS 3408 TIP3 H2 A 0.417000 1.0079 - 10225 SYS 3409 TIP3 O1 C -0.834000 15.9994 - 10226 SYS 3409 TIP3 H1 A 0.417000 1.0079 - 10227 SYS 3409 TIP3 H2 A 0.417000 1.0079 - 10228 SYS 3410 TIP3 O1 C -0.834000 15.9994 - 10229 SYS 3410 TIP3 H1 A 0.417000 1.0079 - 10230 SYS 3410 TIP3 H2 A 0.417000 1.0079 - 10231 SYS 3411 TIP3 O1 C -0.834000 15.9994 - 10232 SYS 3411 TIP3 H1 A 0.417000 1.0079 - 10233 SYS 3411 TIP3 H2 A 0.417000 1.0079 - 10234 SYS 3412 TIP3 O1 C -0.834000 15.9994 - 10235 SYS 3412 TIP3 H1 A 0.417000 1.0079 - 10236 SYS 3412 TIP3 H2 A 0.417000 1.0079 - 10237 SYS 3413 TIP3 O1 C -0.834000 15.9994 - 10238 SYS 3413 TIP3 H1 A 0.417000 1.0079 - 10239 SYS 3413 TIP3 H2 A 0.417000 1.0079 - 10240 SYS 3414 TIP3 O1 C -0.834000 15.9994 - 10241 SYS 3414 TIP3 H1 A 0.417000 1.0079 - 10242 SYS 3414 TIP3 H2 A 0.417000 1.0079 - 10243 SYS 3415 TIP3 O1 C -0.834000 15.9994 - 10244 SYS 3415 TIP3 H1 A 0.417000 1.0079 - 10245 SYS 3415 TIP3 H2 A 0.417000 1.0079 - 10246 SYS 3416 TIP3 O1 C -0.834000 15.9994 - 10247 SYS 3416 TIP3 H1 A 0.417000 1.0079 - 10248 SYS 3416 TIP3 H2 A 0.417000 1.0079 - 10249 SYS 3417 TIP3 O1 C -0.834000 15.9994 - 10250 SYS 3417 TIP3 H1 A 0.417000 1.0079 - 10251 SYS 3417 TIP3 H2 A 0.417000 1.0079 - 10252 SYS 3418 TIP3 O1 C -0.834000 15.9994 - 10253 SYS 3418 TIP3 H1 A 0.417000 1.0079 - 10254 SYS 3418 TIP3 H2 A 0.417000 1.0079 - 10255 SYS 3419 TIP3 O1 C -0.834000 15.9994 - 10256 SYS 3419 TIP3 H1 A 0.417000 1.0079 - 10257 SYS 3419 TIP3 H2 A 0.417000 1.0079 - 10258 SYS 3420 TIP3 O1 C -0.834000 15.9994 - 10259 SYS 3420 TIP3 H1 A 0.417000 1.0079 - 10260 SYS 3420 TIP3 H2 A 0.417000 1.0079 - 10261 SYS 3421 TIP3 O1 C -0.834000 15.9994 - 10262 SYS 3421 TIP3 H1 A 0.417000 1.0079 - 10263 SYS 3421 TIP3 H2 A 0.417000 1.0079 - 10264 SYS 3422 TIP3 O1 C -0.834000 15.9994 - 10265 SYS 3422 TIP3 H1 A 0.417000 1.0079 - 10266 SYS 3422 TIP3 H2 A 0.417000 1.0079 - 10267 SYS 3423 TIP3 O1 C -0.834000 15.9994 - 10268 SYS 3423 TIP3 H1 A 0.417000 1.0079 - 10269 SYS 3423 TIP3 H2 A 0.417000 1.0079 - 10270 SYS 3424 TIP3 O1 C -0.834000 15.9994 - 10271 SYS 3424 TIP3 H1 A 0.417000 1.0079 - 10272 SYS 3424 TIP3 H2 A 0.417000 1.0079 - 10273 SYS 3425 TIP3 O1 C -0.834000 15.9994 - 10274 SYS 3425 TIP3 H1 A 0.417000 1.0079 - 10275 SYS 3425 TIP3 H2 A 0.417000 1.0079 - 10276 SYS 3426 TIP3 O1 C -0.834000 15.9994 - 10277 SYS 3426 TIP3 H1 A 0.417000 1.0079 - 10278 SYS 3426 TIP3 H2 A 0.417000 1.0079 - 10279 SYS 3427 TIP3 O1 C -0.834000 15.9994 - 10280 SYS 3427 TIP3 H1 A 0.417000 1.0079 - 10281 SYS 3427 TIP3 H2 A 0.417000 1.0079 - 10282 SYS 3428 TIP3 O1 C -0.834000 15.9994 - 10283 SYS 3428 TIP3 H1 A 0.417000 1.0079 - 10284 SYS 3428 TIP3 H2 A 0.417000 1.0079 - 10285 SYS 3429 TIP3 O1 C -0.834000 15.9994 - 10286 SYS 3429 TIP3 H1 A 0.417000 1.0079 - 10287 SYS 3429 TIP3 H2 A 0.417000 1.0079 - 10288 SYS 3430 TIP3 O1 C -0.834000 15.9994 - 10289 SYS 3430 TIP3 H1 A 0.417000 1.0079 - 10290 SYS 3430 TIP3 H2 A 0.417000 1.0079 - 10291 SYS 3431 TIP3 O1 C -0.834000 15.9994 - 10292 SYS 3431 TIP3 H1 A 0.417000 1.0079 - 10293 SYS 3431 TIP3 H2 A 0.417000 1.0079 - 10294 SYS 3432 TIP3 O1 C -0.834000 15.9994 - 10295 SYS 3432 TIP3 H1 A 0.417000 1.0079 - 10296 SYS 3432 TIP3 H2 A 0.417000 1.0079 - 10297 SYS 3433 TIP3 O1 C -0.834000 15.9994 - 10298 SYS 3433 TIP3 H1 A 0.417000 1.0079 - 10299 SYS 3433 TIP3 H2 A 0.417000 1.0079 - 10300 SYS 3434 TIP3 O1 C -0.834000 15.9994 - 10301 SYS 3434 TIP3 H1 A 0.417000 1.0079 - 10302 SYS 3434 TIP3 H2 A 0.417000 1.0079 - 10303 SYS 3435 TIP3 O1 C -0.834000 15.9994 - 10304 SYS 3435 TIP3 H1 A 0.417000 1.0079 - 10305 SYS 3435 TIP3 H2 A 0.417000 1.0079 - 10306 SYS 3436 TIP3 O1 C -0.834000 15.9994 - 10307 SYS 3436 TIP3 H1 A 0.417000 1.0079 - 10308 SYS 3436 TIP3 H2 A 0.417000 1.0079 - 10309 SYS 3437 TIP3 O1 C -0.834000 15.9994 - 10310 SYS 3437 TIP3 H1 A 0.417000 1.0079 - 10311 SYS 3437 TIP3 H2 A 0.417000 1.0079 - 10312 SYS 3438 TIP3 O1 C -0.834000 15.9994 - 10313 SYS 3438 TIP3 H1 A 0.417000 1.0079 - 10314 SYS 3438 TIP3 H2 A 0.417000 1.0079 - 10315 SYS 3439 TIP3 O1 C -0.834000 15.9994 - 10316 SYS 3439 TIP3 H1 A 0.417000 1.0079 - 10317 SYS 3439 TIP3 H2 A 0.417000 1.0079 - 10318 SYS 3440 TIP3 O1 C -0.834000 15.9994 - 10319 SYS 3440 TIP3 H1 A 0.417000 1.0079 - 10320 SYS 3440 TIP3 H2 A 0.417000 1.0079 - 10321 SYS 3441 TIP3 O1 C -0.834000 15.9994 - 10322 SYS 3441 TIP3 H1 A 0.417000 1.0079 - 10323 SYS 3441 TIP3 H2 A 0.417000 1.0079 - 10324 SYS 3442 TIP3 O1 C -0.834000 15.9994 - 10325 SYS 3442 TIP3 H1 A 0.417000 1.0079 - 10326 SYS 3442 TIP3 H2 A 0.417000 1.0079 - 10327 SYS 3443 TIP3 O1 C -0.834000 15.9994 - 10328 SYS 3443 TIP3 H1 A 0.417000 1.0079 - 10329 SYS 3443 TIP3 H2 A 0.417000 1.0079 - 10330 SYS 3444 TIP3 O1 C -0.834000 15.9994 - 10331 SYS 3444 TIP3 H1 A 0.417000 1.0079 - 10332 SYS 3444 TIP3 H2 A 0.417000 1.0079 - 10333 SYS 3445 TIP3 O1 C -0.834000 15.9994 - 10334 SYS 3445 TIP3 H1 A 0.417000 1.0079 - 10335 SYS 3445 TIP3 H2 A 0.417000 1.0079 - 10336 SYS 3446 TIP3 O1 C -0.834000 15.9994 - 10337 SYS 3446 TIP3 H1 A 0.417000 1.0079 - 10338 SYS 3446 TIP3 H2 A 0.417000 1.0079 - 10339 SYS 3447 TIP3 O1 C -0.834000 15.9994 - 10340 SYS 3447 TIP3 H1 A 0.417000 1.0079 - 10341 SYS 3447 TIP3 H2 A 0.417000 1.0079 - 10342 SYS 3448 TIP3 O1 C -0.834000 15.9994 - 10343 SYS 3448 TIP3 H1 A 0.417000 1.0079 - 10344 SYS 3448 TIP3 H2 A 0.417000 1.0079 - 10345 SYS 3449 TIP3 O1 C -0.834000 15.9994 - 10346 SYS 3449 TIP3 H1 A 0.417000 1.0079 - 10347 SYS 3449 TIP3 H2 A 0.417000 1.0079 - 10348 SYS 3450 TIP3 O1 C -0.834000 15.9994 - 10349 SYS 3450 TIP3 H1 A 0.417000 1.0079 - 10350 SYS 3450 TIP3 H2 A 0.417000 1.0079 - 10351 SYS 3451 TIP3 O1 C -0.834000 15.9994 - 10352 SYS 3451 TIP3 H1 A 0.417000 1.0079 - 10353 SYS 3451 TIP3 H2 A 0.417000 1.0079 - 10354 SYS 3452 TIP3 O1 C -0.834000 15.9994 - 10355 SYS 3452 TIP3 H1 A 0.417000 1.0079 - 10356 SYS 3452 TIP3 H2 A 0.417000 1.0079 - 10357 SYS 3453 TIP3 O1 C -0.834000 15.9994 - 10358 SYS 3453 TIP3 H1 A 0.417000 1.0079 - 10359 SYS 3453 TIP3 H2 A 0.417000 1.0079 - 10360 SYS 3454 TIP3 O1 C -0.834000 15.9994 - 10361 SYS 3454 TIP3 H1 A 0.417000 1.0079 - 10362 SYS 3454 TIP3 H2 A 0.417000 1.0079 - 10363 SYS 3455 TIP3 O1 C -0.834000 15.9994 - 10364 SYS 3455 TIP3 H1 A 0.417000 1.0079 - 10365 SYS 3455 TIP3 H2 A 0.417000 1.0079 - 10366 SYS 3456 TIP3 O1 C -0.834000 15.9994 - 10367 SYS 3456 TIP3 H1 A 0.417000 1.0079 - 10368 SYS 3456 TIP3 H2 A 0.417000 1.0079 - 10369 SYS 3457 TIP3 O1 C -0.834000 15.9994 - 10370 SYS 3457 TIP3 H1 A 0.417000 1.0079 - 10371 SYS 3457 TIP3 H2 A 0.417000 1.0079 - 10372 SYS 3458 TIP3 O1 C -0.834000 15.9994 - 10373 SYS 3458 TIP3 H1 A 0.417000 1.0079 - 10374 SYS 3458 TIP3 H2 A 0.417000 1.0079 - 10375 SYS 3459 TIP3 O1 C -0.834000 15.9994 - 10376 SYS 3459 TIP3 H1 A 0.417000 1.0079 - 10377 SYS 3459 TIP3 H2 A 0.417000 1.0079 - 10378 SYS 3460 TIP3 O1 C -0.834000 15.9994 - 10379 SYS 3460 TIP3 H1 A 0.417000 1.0079 - 10380 SYS 3460 TIP3 H2 A 0.417000 1.0079 - 10381 SYS 3461 TIP3 O1 C -0.834000 15.9994 - 10382 SYS 3461 TIP3 H1 A 0.417000 1.0079 - 10383 SYS 3461 TIP3 H2 A 0.417000 1.0079 - 10384 SYS 3462 TIP3 O1 C -0.834000 15.9994 - 10385 SYS 3462 TIP3 H1 A 0.417000 1.0079 - 10386 SYS 3462 TIP3 H2 A 0.417000 1.0079 - 10387 SYS 3463 TIP3 O1 C -0.834000 15.9994 - 10388 SYS 3463 TIP3 H1 A 0.417000 1.0079 - 10389 SYS 3463 TIP3 H2 A 0.417000 1.0079 - 10390 SYS 3464 TIP3 O1 C -0.834000 15.9994 - 10391 SYS 3464 TIP3 H1 A 0.417000 1.0079 - 10392 SYS 3464 TIP3 H2 A 0.417000 1.0079 - 10393 SYS 3465 TIP3 O1 C -0.834000 15.9994 - 10394 SYS 3465 TIP3 H1 A 0.417000 1.0079 - 10395 SYS 3465 TIP3 H2 A 0.417000 1.0079 - 10396 SYS 3466 TIP3 O1 C -0.834000 15.9994 - 10397 SYS 3466 TIP3 H1 A 0.417000 1.0079 - 10398 SYS 3466 TIP3 H2 A 0.417000 1.0079 - 10399 SYS 3467 TIP3 O1 C -0.834000 15.9994 - 10400 SYS 3467 TIP3 H1 A 0.417000 1.0079 - 10401 SYS 3467 TIP3 H2 A 0.417000 1.0079 - 10402 SYS 3468 TIP3 O1 C -0.834000 15.9994 - 10403 SYS 3468 TIP3 H1 A 0.417000 1.0079 - 10404 SYS 3468 TIP3 H2 A 0.417000 1.0079 - 10405 SYS 3469 TIP3 O1 C -0.834000 15.9994 - 10406 SYS 3469 TIP3 H1 A 0.417000 1.0079 - 10407 SYS 3469 TIP3 H2 A 0.417000 1.0079 - 10408 SYS 3470 TIP3 O1 C -0.834000 15.9994 - 10409 SYS 3470 TIP3 H1 A 0.417000 1.0079 - 10410 SYS 3470 TIP3 H2 A 0.417000 1.0079 - 10411 SYS 3471 TIP3 O1 C -0.834000 15.9994 - 10412 SYS 3471 TIP3 H1 A 0.417000 1.0079 - 10413 SYS 3471 TIP3 H2 A 0.417000 1.0079 - 10414 SYS 3472 TIP3 O1 C -0.834000 15.9994 - 10415 SYS 3472 TIP3 H1 A 0.417000 1.0079 - 10416 SYS 3472 TIP3 H2 A 0.417000 1.0079 - 10417 SYS 3473 TIP3 O1 C -0.834000 15.9994 - 10418 SYS 3473 TIP3 H1 A 0.417000 1.0079 - 10419 SYS 3473 TIP3 H2 A 0.417000 1.0079 - 10420 SYS 3474 TIP3 O1 C -0.834000 15.9994 - 10421 SYS 3474 TIP3 H1 A 0.417000 1.0079 - 10422 SYS 3474 TIP3 H2 A 0.417000 1.0079 - 10423 SYS 3475 TIP3 O1 C -0.834000 15.9994 - 10424 SYS 3475 TIP3 H1 A 0.417000 1.0079 - 10425 SYS 3475 TIP3 H2 A 0.417000 1.0079 - 10426 SYS 3476 TIP3 O1 C -0.834000 15.9994 - 10427 SYS 3476 TIP3 H1 A 0.417000 1.0079 - 10428 SYS 3476 TIP3 H2 A 0.417000 1.0079 - 10429 SYS 3477 TIP3 O1 C -0.834000 15.9994 - 10430 SYS 3477 TIP3 H1 A 0.417000 1.0079 - 10431 SYS 3477 TIP3 H2 A 0.417000 1.0079 - 10432 SYS 3478 TIP3 O1 C -0.834000 15.9994 - 10433 SYS 3478 TIP3 H1 A 0.417000 1.0079 - 10434 SYS 3478 TIP3 H2 A 0.417000 1.0079 - 10435 SYS 3479 TIP3 O1 C -0.834000 15.9994 - 10436 SYS 3479 TIP3 H1 A 0.417000 1.0079 - 10437 SYS 3479 TIP3 H2 A 0.417000 1.0079 - 10438 SYS 3480 TIP3 O1 C -0.834000 15.9994 - 10439 SYS 3480 TIP3 H1 A 0.417000 1.0079 - 10440 SYS 3480 TIP3 H2 A 0.417000 1.0079 - 10441 SYS 3481 TIP3 O1 C -0.834000 15.9994 - 10442 SYS 3481 TIP3 H1 A 0.417000 1.0079 - 10443 SYS 3481 TIP3 H2 A 0.417000 1.0079 - 10444 SYS 3482 TIP3 O1 C -0.834000 15.9994 - 10445 SYS 3482 TIP3 H1 A 0.417000 1.0079 - 10446 SYS 3482 TIP3 H2 A 0.417000 1.0079 - 10447 SYS 3483 TIP3 O1 C -0.834000 15.9994 - 10448 SYS 3483 TIP3 H1 A 0.417000 1.0079 - 10449 SYS 3483 TIP3 H2 A 0.417000 1.0079 - 10450 SYS 3484 TIP3 O1 C -0.834000 15.9994 - 10451 SYS 3484 TIP3 H1 A 0.417000 1.0079 - 10452 SYS 3484 TIP3 H2 A 0.417000 1.0079 - 10453 SYS 3485 TIP3 O1 C -0.834000 15.9994 - 10454 SYS 3485 TIP3 H1 A 0.417000 1.0079 - 10455 SYS 3485 TIP3 H2 A 0.417000 1.0079 - 10456 SYS 3486 TIP3 O1 C -0.834000 15.9994 - 10457 SYS 3486 TIP3 H1 A 0.417000 1.0079 - 10458 SYS 3486 TIP3 H2 A 0.417000 1.0079 - 10459 SYS 3487 TIP3 O1 C -0.834000 15.9994 - 10460 SYS 3487 TIP3 H1 A 0.417000 1.0079 - 10461 SYS 3487 TIP3 H2 A 0.417000 1.0079 - 10462 SYS 3488 TIP3 O1 C -0.834000 15.9994 - 10463 SYS 3488 TIP3 H1 A 0.417000 1.0079 - 10464 SYS 3488 TIP3 H2 A 0.417000 1.0079 - 10465 SYS 3489 TIP3 O1 C -0.834000 15.9994 - 10466 SYS 3489 TIP3 H1 A 0.417000 1.0079 - 10467 SYS 3489 TIP3 H2 A 0.417000 1.0079 - 10468 SYS 3490 TIP3 O1 C -0.834000 15.9994 - 10469 SYS 3490 TIP3 H1 A 0.417000 1.0079 - 10470 SYS 3490 TIP3 H2 A 0.417000 1.0079 - 10471 SYS 3491 TIP3 O1 C -0.834000 15.9994 - 10472 SYS 3491 TIP3 H1 A 0.417000 1.0079 - 10473 SYS 3491 TIP3 H2 A 0.417000 1.0079 - 10474 SYS 3492 TIP3 O1 C -0.834000 15.9994 - 10475 SYS 3492 TIP3 H1 A 0.417000 1.0079 - 10476 SYS 3492 TIP3 H2 A 0.417000 1.0079 - 10477 SYS 3493 TIP3 O1 C -0.834000 15.9994 - 10478 SYS 3493 TIP3 H1 A 0.417000 1.0079 - 10479 SYS 3493 TIP3 H2 A 0.417000 1.0079 - 10480 SYS 3494 TIP3 O1 C -0.834000 15.9994 - 10481 SYS 3494 TIP3 H1 A 0.417000 1.0079 - 10482 SYS 3494 TIP3 H2 A 0.417000 1.0079 - 10483 SYS 3495 TIP3 O1 C -0.834000 15.9994 - 10484 SYS 3495 TIP3 H1 A 0.417000 1.0079 - 10485 SYS 3495 TIP3 H2 A 0.417000 1.0079 - 10486 SYS 3496 TIP3 O1 C -0.834000 15.9994 - 10487 SYS 3496 TIP3 H1 A 0.417000 1.0079 - 10488 SYS 3496 TIP3 H2 A 0.417000 1.0079 - 10489 SYS 3497 TIP3 O1 C -0.834000 15.9994 - 10490 SYS 3497 TIP3 H1 A 0.417000 1.0079 - 10491 SYS 3497 TIP3 H2 A 0.417000 1.0079 - 10492 SYS 3498 TIP3 O1 C -0.834000 15.9994 - 10493 SYS 3498 TIP3 H1 A 0.417000 1.0079 - 10494 SYS 3498 TIP3 H2 A 0.417000 1.0079 - 10495 SYS 3499 TIP3 O1 C -0.834000 15.9994 - 10496 SYS 3499 TIP3 H1 A 0.417000 1.0079 - 10497 SYS 3499 TIP3 H2 A 0.417000 1.0079 - 10498 SYS 3500 TIP3 O1 C -0.834000 15.9994 - 10499 SYS 3500 TIP3 H1 A 0.417000 1.0079 - 10500 SYS 3500 TIP3 H2 A 0.417000 1.0079 - 10501 SYS 3501 TIP3 O1 C -0.834000 15.9994 - 10502 SYS 3501 TIP3 H1 A 0.417000 1.0079 - 10503 SYS 3501 TIP3 H2 A 0.417000 1.0079 - 10504 SYS 3502 TIP3 O1 C -0.834000 15.9994 - 10505 SYS 3502 TIP3 H1 A 0.417000 1.0079 - 10506 SYS 3502 TIP3 H2 A 0.417000 1.0079 - 10507 SYS 3503 TIP3 O1 C -0.834000 15.9994 - 10508 SYS 3503 TIP3 H1 A 0.417000 1.0079 - 10509 SYS 3503 TIP3 H2 A 0.417000 1.0079 - 10510 SYS 3504 TIP3 O1 C -0.834000 15.9994 - 10511 SYS 3504 TIP3 H1 A 0.417000 1.0079 - 10512 SYS 3504 TIP3 H2 A 0.417000 1.0079 - 10513 SYS 3505 TIP3 O1 C -0.834000 15.9994 - 10514 SYS 3505 TIP3 H1 A 0.417000 1.0079 - 10515 SYS 3505 TIP3 H2 A 0.417000 1.0079 - 10516 SYS 3506 TIP3 O1 C -0.834000 15.9994 - 10517 SYS 3506 TIP3 H1 A 0.417000 1.0079 - 10518 SYS 3506 TIP3 H2 A 0.417000 1.0079 - 10519 SYS 3507 TIP3 O1 C -0.834000 15.9994 - 10520 SYS 3507 TIP3 H1 A 0.417000 1.0079 - 10521 SYS 3507 TIP3 H2 A 0.417000 1.0079 - 10522 SYS 3508 TIP3 O1 C -0.834000 15.9994 - 10523 SYS 3508 TIP3 H1 A 0.417000 1.0079 - 10524 SYS 3508 TIP3 H2 A 0.417000 1.0079 - 10525 SYS 3509 TIP3 O1 C -0.834000 15.9994 - 10526 SYS 3509 TIP3 H1 A 0.417000 1.0079 - 10527 SYS 3509 TIP3 H2 A 0.417000 1.0079 - 10528 SYS 3510 TIP3 O1 C -0.834000 15.9994 - 10529 SYS 3510 TIP3 H1 A 0.417000 1.0079 - 10530 SYS 3510 TIP3 H2 A 0.417000 1.0079 - 10531 SYS 3511 TIP3 O1 C -0.834000 15.9994 - 10532 SYS 3511 TIP3 H1 A 0.417000 1.0079 - 10533 SYS 3511 TIP3 H2 A 0.417000 1.0079 - 10534 SYS 3512 TIP3 O1 C -0.834000 15.9994 - 10535 SYS 3512 TIP3 H1 A 0.417000 1.0079 - 10536 SYS 3512 TIP3 H2 A 0.417000 1.0079 - 10537 SYS 3513 TIP3 O1 C -0.834000 15.9994 - 10538 SYS 3513 TIP3 H1 A 0.417000 1.0079 - 10539 SYS 3513 TIP3 H2 A 0.417000 1.0079 - 10540 SYS 3514 TIP3 O1 C -0.834000 15.9994 - 10541 SYS 3514 TIP3 H1 A 0.417000 1.0079 - 10542 SYS 3514 TIP3 H2 A 0.417000 1.0079 - 10543 SYS 3515 TIP3 O1 C -0.834000 15.9994 - 10544 SYS 3515 TIP3 H1 A 0.417000 1.0079 - 10545 SYS 3515 TIP3 H2 A 0.417000 1.0079 - 10546 SYS 3516 TIP3 O1 C -0.834000 15.9994 - 10547 SYS 3516 TIP3 H1 A 0.417000 1.0079 - 10548 SYS 3516 TIP3 H2 A 0.417000 1.0079 - 10549 SYS 3517 TIP3 O1 C -0.834000 15.9994 - 10550 SYS 3517 TIP3 H1 A 0.417000 1.0079 - 10551 SYS 3517 TIP3 H2 A 0.417000 1.0079 - 10552 SYS 3518 TIP3 O1 C -0.834000 15.9994 - 10553 SYS 3518 TIP3 H1 A 0.417000 1.0079 - 10554 SYS 3518 TIP3 H2 A 0.417000 1.0079 - 10555 SYS 3519 TIP3 O1 C -0.834000 15.9994 - 10556 SYS 3519 TIP3 H1 A 0.417000 1.0079 - 10557 SYS 3519 TIP3 H2 A 0.417000 1.0079 - 10558 SYS 3520 TIP3 O1 C -0.834000 15.9994 - 10559 SYS 3520 TIP3 H1 A 0.417000 1.0079 - 10560 SYS 3520 TIP3 H2 A 0.417000 1.0079 - 10561 SYS 3521 TIP3 O1 C -0.834000 15.9994 - 10562 SYS 3521 TIP3 H1 A 0.417000 1.0079 - 10563 SYS 3521 TIP3 H2 A 0.417000 1.0079 - 10564 SYS 3522 TIP3 O1 C -0.834000 15.9994 - 10565 SYS 3522 TIP3 H1 A 0.417000 1.0079 - 10566 SYS 3522 TIP3 H2 A 0.417000 1.0079 - 10567 SYS 3523 TIP3 O1 C -0.834000 15.9994 - 10568 SYS 3523 TIP3 H1 A 0.417000 1.0079 - 10569 SYS 3523 TIP3 H2 A 0.417000 1.0079 - 10570 SYS 3524 TIP3 O1 C -0.834000 15.9994 - 10571 SYS 3524 TIP3 H1 A 0.417000 1.0079 - 10572 SYS 3524 TIP3 H2 A 0.417000 1.0079 - 10573 SYS 3525 TIP3 O1 C -0.834000 15.9994 - 10574 SYS 3525 TIP3 H1 A 0.417000 1.0079 - 10575 SYS 3525 TIP3 H2 A 0.417000 1.0079 - 10576 SYS 3526 TIP3 O1 C -0.834000 15.9994 - 10577 SYS 3526 TIP3 H1 A 0.417000 1.0079 - 10578 SYS 3526 TIP3 H2 A 0.417000 1.0079 - 10579 SYS 3527 TIP3 O1 C -0.834000 15.9994 - 10580 SYS 3527 TIP3 H1 A 0.417000 1.0079 - 10581 SYS 3527 TIP3 H2 A 0.417000 1.0079 - 10582 SYS 3528 TIP3 O1 C -0.834000 15.9994 - 10583 SYS 3528 TIP3 H1 A 0.417000 1.0079 - 10584 SYS 3528 TIP3 H2 A 0.417000 1.0079 - 10585 SYS 3529 TIP3 O1 C -0.834000 15.9994 - 10586 SYS 3529 TIP3 H1 A 0.417000 1.0079 - 10587 SYS 3529 TIP3 H2 A 0.417000 1.0079 - 10588 SYS 3530 TIP3 O1 C -0.834000 15.9994 - 10589 SYS 3530 TIP3 H1 A 0.417000 1.0079 - 10590 SYS 3530 TIP3 H2 A 0.417000 1.0079 - 10591 SYS 3531 TIP3 O1 C -0.834000 15.9994 - 10592 SYS 3531 TIP3 H1 A 0.417000 1.0079 - 10593 SYS 3531 TIP3 H2 A 0.417000 1.0079 - 10594 SYS 3532 TIP3 O1 C -0.834000 15.9994 - 10595 SYS 3532 TIP3 H1 A 0.417000 1.0079 - 10596 SYS 3532 TIP3 H2 A 0.417000 1.0079 - 10597 SYS 3533 TIP3 O1 C -0.834000 15.9994 - 10598 SYS 3533 TIP3 H1 A 0.417000 1.0079 - 10599 SYS 3533 TIP3 H2 A 0.417000 1.0079 - 10600 SYS 3534 TIP3 O1 C -0.834000 15.9994 - 10601 SYS 3534 TIP3 H1 A 0.417000 1.0079 - 10602 SYS 3534 TIP3 H2 A 0.417000 1.0079 - 10603 SYS 3535 TIP3 O1 C -0.834000 15.9994 - 10604 SYS 3535 TIP3 H1 A 0.417000 1.0079 - 10605 SYS 3535 TIP3 H2 A 0.417000 1.0079 - 10606 SYS 3536 TIP3 O1 C -0.834000 15.9994 - 10607 SYS 3536 TIP3 H1 A 0.417000 1.0079 - 10608 SYS 3536 TIP3 H2 A 0.417000 1.0079 - 10609 SYS 3537 TIP3 O1 C -0.834000 15.9994 - 10610 SYS 3537 TIP3 H1 A 0.417000 1.0079 - 10611 SYS 3537 TIP3 H2 A 0.417000 1.0079 - 10612 SYS 3538 TIP3 O1 C -0.834000 15.9994 - 10613 SYS 3538 TIP3 H1 A 0.417000 1.0079 - 10614 SYS 3538 TIP3 H2 A 0.417000 1.0079 - 10615 SYS 3539 TIP3 O1 C -0.834000 15.9994 - 10616 SYS 3539 TIP3 H1 A 0.417000 1.0079 - 10617 SYS 3539 TIP3 H2 A 0.417000 1.0079 - 10618 SYS 3540 TIP3 O1 C -0.834000 15.9994 - 10619 SYS 3540 TIP3 H1 A 0.417000 1.0079 - 10620 SYS 3540 TIP3 H2 A 0.417000 1.0079 - 10621 SYS 3541 TIP3 O1 C -0.834000 15.9994 - 10622 SYS 3541 TIP3 H1 A 0.417000 1.0079 - 10623 SYS 3541 TIP3 H2 A 0.417000 1.0079 - 10624 SYS 3542 TIP3 O1 C -0.834000 15.9994 - 10625 SYS 3542 TIP3 H1 A 0.417000 1.0079 - 10626 SYS 3542 TIP3 H2 A 0.417000 1.0079 - 10627 SYS 3543 TIP3 O1 C -0.834000 15.9994 - 10628 SYS 3543 TIP3 H1 A 0.417000 1.0079 - 10629 SYS 3543 TIP3 H2 A 0.417000 1.0079 - 10630 SYS 3544 TIP3 O1 C -0.834000 15.9994 - 10631 SYS 3544 TIP3 H1 A 0.417000 1.0079 - 10632 SYS 3544 TIP3 H2 A 0.417000 1.0079 - 10633 SYS 3545 TIP3 O1 C -0.834000 15.9994 - 10634 SYS 3545 TIP3 H1 A 0.417000 1.0079 - 10635 SYS 3545 TIP3 H2 A 0.417000 1.0079 - 10636 SYS 3546 TIP3 O1 C -0.834000 15.9994 - 10637 SYS 3546 TIP3 H1 A 0.417000 1.0079 - 10638 SYS 3546 TIP3 H2 A 0.417000 1.0079 - 10639 SYS 3547 TIP3 O1 C -0.834000 15.9994 - 10640 SYS 3547 TIP3 H1 A 0.417000 1.0079 - 10641 SYS 3547 TIP3 H2 A 0.417000 1.0079 - 10642 SYS 3548 TIP3 O1 C -0.834000 15.9994 - 10643 SYS 3548 TIP3 H1 A 0.417000 1.0079 - 10644 SYS 3548 TIP3 H2 A 0.417000 1.0079 - 10645 SYS 3549 TIP3 O1 C -0.834000 15.9994 - 10646 SYS 3549 TIP3 H1 A 0.417000 1.0079 - 10647 SYS 3549 TIP3 H2 A 0.417000 1.0079 - 10648 SYS 3550 TIP3 O1 C -0.834000 15.9994 - 10649 SYS 3550 TIP3 H1 A 0.417000 1.0079 - 10650 SYS 3550 TIP3 H2 A 0.417000 1.0079 - 10651 SYS 3551 TIP3 O1 C -0.834000 15.9994 - 10652 SYS 3551 TIP3 H1 A 0.417000 1.0079 - 10653 SYS 3551 TIP3 H2 A 0.417000 1.0079 - 10654 SYS 3552 TIP3 O1 C -0.834000 15.9994 - 10655 SYS 3552 TIP3 H1 A 0.417000 1.0079 - 10656 SYS 3552 TIP3 H2 A 0.417000 1.0079 - 10657 SYS 3553 TIP3 O1 C -0.834000 15.9994 - 10658 SYS 3553 TIP3 H1 A 0.417000 1.0079 - 10659 SYS 3553 TIP3 H2 A 0.417000 1.0079 - 10660 SYS 3554 TIP3 O1 C -0.834000 15.9994 - 10661 SYS 3554 TIP3 H1 A 0.417000 1.0079 - 10662 SYS 3554 TIP3 H2 A 0.417000 1.0079 - 10663 SYS 3555 TIP3 O1 C -0.834000 15.9994 - 10664 SYS 3555 TIP3 H1 A 0.417000 1.0079 - 10665 SYS 3555 TIP3 H2 A 0.417000 1.0079 - 10666 SYS 3556 TIP3 O1 C -0.834000 15.9994 - 10667 SYS 3556 TIP3 H1 A 0.417000 1.0079 - 10668 SYS 3556 TIP3 H2 A 0.417000 1.0079 - 10669 SYS 3557 TIP3 O1 C -0.834000 15.9994 - 10670 SYS 3557 TIP3 H1 A 0.417000 1.0079 - 10671 SYS 3557 TIP3 H2 A 0.417000 1.0079 - 10672 SYS 3558 TIP3 O1 C -0.834000 15.9994 - 10673 SYS 3558 TIP3 H1 A 0.417000 1.0079 - 10674 SYS 3558 TIP3 H2 A 0.417000 1.0079 - 10675 SYS 3559 TIP3 O1 C -0.834000 15.9994 - 10676 SYS 3559 TIP3 H1 A 0.417000 1.0079 - 10677 SYS 3559 TIP3 H2 A 0.417000 1.0079 - 10678 SYS 3560 TIP3 O1 C -0.834000 15.9994 - 10679 SYS 3560 TIP3 H1 A 0.417000 1.0079 - 10680 SYS 3560 TIP3 H2 A 0.417000 1.0079 - 10681 SYS 3561 TIP3 O1 C -0.834000 15.9994 - 10682 SYS 3561 TIP3 H1 A 0.417000 1.0079 - 10683 SYS 3561 TIP3 H2 A 0.417000 1.0079 - 10684 SYS 3562 TIP3 O1 C -0.834000 15.9994 - 10685 SYS 3562 TIP3 H1 A 0.417000 1.0079 - 10686 SYS 3562 TIP3 H2 A 0.417000 1.0079 - 10687 SYS 3563 TIP3 O1 C -0.834000 15.9994 - 10688 SYS 3563 TIP3 H1 A 0.417000 1.0079 - 10689 SYS 3563 TIP3 H2 A 0.417000 1.0079 - 10690 SYS 3564 TIP3 O1 C -0.834000 15.9994 - 10691 SYS 3564 TIP3 H1 A 0.417000 1.0079 - 10692 SYS 3564 TIP3 H2 A 0.417000 1.0079 - 10693 SYS 3565 TIP3 O1 C -0.834000 15.9994 - 10694 SYS 3565 TIP3 H1 A 0.417000 1.0079 - 10695 SYS 3565 TIP3 H2 A 0.417000 1.0079 - 10696 SYS 3566 TIP3 O1 C -0.834000 15.9994 - 10697 SYS 3566 TIP3 H1 A 0.417000 1.0079 - 10698 SYS 3566 TIP3 H2 A 0.417000 1.0079 - 10699 SYS 3567 TIP3 O1 C -0.834000 15.9994 - 10700 SYS 3567 TIP3 H1 A 0.417000 1.0079 - 10701 SYS 3567 TIP3 H2 A 0.417000 1.0079 - 10702 SYS 3568 TIP3 O1 C -0.834000 15.9994 - 10703 SYS 3568 TIP3 H1 A 0.417000 1.0079 - 10704 SYS 3568 TIP3 H2 A 0.417000 1.0079 - 10705 SYS 3569 TIP3 O1 C -0.834000 15.9994 - 10706 SYS 3569 TIP3 H1 A 0.417000 1.0079 - 10707 SYS 3569 TIP3 H2 A 0.417000 1.0079 - 10708 SYS 3570 TIP3 O1 C -0.834000 15.9994 - 10709 SYS 3570 TIP3 H1 A 0.417000 1.0079 - 10710 SYS 3570 TIP3 H2 A 0.417000 1.0079 - 10711 SYS 3571 TIP3 O1 C -0.834000 15.9994 - 10712 SYS 3571 TIP3 H1 A 0.417000 1.0079 - 10713 SYS 3571 TIP3 H2 A 0.417000 1.0079 - 10714 SYS 3572 TIP3 O1 C -0.834000 15.9994 - 10715 SYS 3572 TIP3 H1 A 0.417000 1.0079 - 10716 SYS 3572 TIP3 H2 A 0.417000 1.0079 - 10717 SYS 3573 TIP3 O1 C -0.834000 15.9994 - 10718 SYS 3573 TIP3 H1 A 0.417000 1.0079 - 10719 SYS 3573 TIP3 H2 A 0.417000 1.0079 - 10720 SYS 3574 TIP3 O1 C -0.834000 15.9994 - 10721 SYS 3574 TIP3 H1 A 0.417000 1.0079 - 10722 SYS 3574 TIP3 H2 A 0.417000 1.0079 - 10723 SYS 3575 TIP3 O1 C -0.834000 15.9994 - 10724 SYS 3575 TIP3 H1 A 0.417000 1.0079 - 10725 SYS 3575 TIP3 H2 A 0.417000 1.0079 - 10726 SYS 3576 TIP3 O1 C -0.834000 15.9994 - 10727 SYS 3576 TIP3 H1 A 0.417000 1.0079 - 10728 SYS 3576 TIP3 H2 A 0.417000 1.0079 - 10729 SYS 3577 TIP3 O1 C -0.834000 15.9994 - 10730 SYS 3577 TIP3 H1 A 0.417000 1.0079 - 10731 SYS 3577 TIP3 H2 A 0.417000 1.0079 - 10732 SYS 3578 TIP3 O1 C -0.834000 15.9994 - 10733 SYS 3578 TIP3 H1 A 0.417000 1.0079 - 10734 SYS 3578 TIP3 H2 A 0.417000 1.0079 - 10735 SYS 3579 TIP3 O1 C -0.834000 15.9994 - 10736 SYS 3579 TIP3 H1 A 0.417000 1.0079 - 10737 SYS 3579 TIP3 H2 A 0.417000 1.0079 - 10738 SYS 3580 TIP3 O1 C -0.834000 15.9994 - 10739 SYS 3580 TIP3 H1 A 0.417000 1.0079 - 10740 SYS 3580 TIP3 H2 A 0.417000 1.0079 - 10741 SYS 3581 TIP3 O1 C -0.834000 15.9994 - 10742 SYS 3581 TIP3 H1 A 0.417000 1.0079 - 10743 SYS 3581 TIP3 H2 A 0.417000 1.0079 - 10744 SYS 3582 TIP3 O1 C -0.834000 15.9994 - 10745 SYS 3582 TIP3 H1 A 0.417000 1.0079 - 10746 SYS 3582 TIP3 H2 A 0.417000 1.0079 - 10747 SYS 3583 TIP3 O1 C -0.834000 15.9994 - 10748 SYS 3583 TIP3 H1 A 0.417000 1.0079 - 10749 SYS 3583 TIP3 H2 A 0.417000 1.0079 - 10750 SYS 3584 TIP3 O1 C -0.834000 15.9994 - 10751 SYS 3584 TIP3 H1 A 0.417000 1.0079 - 10752 SYS 3584 TIP3 H2 A 0.417000 1.0079 - 10753 SYS 3585 TIP3 O1 C -0.834000 15.9994 - 10754 SYS 3585 TIP3 H1 A 0.417000 1.0079 - 10755 SYS 3585 TIP3 H2 A 0.417000 1.0079 - 10756 SYS 3586 TIP3 O1 C -0.834000 15.9994 - 10757 SYS 3586 TIP3 H1 A 0.417000 1.0079 - 10758 SYS 3586 TIP3 H2 A 0.417000 1.0079 - 10759 SYS 3587 TIP3 O1 C -0.834000 15.9994 - 10760 SYS 3587 TIP3 H1 A 0.417000 1.0079 - 10761 SYS 3587 TIP3 H2 A 0.417000 1.0079 - 10762 SYS 3588 TIP3 O1 C -0.834000 15.9994 - 10763 SYS 3588 TIP3 H1 A 0.417000 1.0079 - 10764 SYS 3588 TIP3 H2 A 0.417000 1.0079 - 10765 SYS 3589 TIP3 O1 C -0.834000 15.9994 - 10766 SYS 3589 TIP3 H1 A 0.417000 1.0079 - 10767 SYS 3589 TIP3 H2 A 0.417000 1.0079 - 10768 SYS 3590 TIP3 O1 C -0.834000 15.9994 - 10769 SYS 3590 TIP3 H1 A 0.417000 1.0079 - 10770 SYS 3590 TIP3 H2 A 0.417000 1.0079 - 10771 SYS 3591 TIP3 O1 C -0.834000 15.9994 - 10772 SYS 3591 TIP3 H1 A 0.417000 1.0079 - 10773 SYS 3591 TIP3 H2 A 0.417000 1.0079 - 10774 SYS 3592 TIP3 O1 C -0.834000 15.9994 - 10775 SYS 3592 TIP3 H1 A 0.417000 1.0079 - 10776 SYS 3592 TIP3 H2 A 0.417000 1.0079 - 10777 SYS 3593 TIP3 O1 C -0.834000 15.9994 - 10778 SYS 3593 TIP3 H1 A 0.417000 1.0079 - 10779 SYS 3593 TIP3 H2 A 0.417000 1.0079 - 10780 SYS 3594 TIP3 O1 C -0.834000 15.9994 - 10781 SYS 3594 TIP3 H1 A 0.417000 1.0079 - 10782 SYS 3594 TIP3 H2 A 0.417000 1.0079 - 10783 SYS 3595 TIP3 O1 C -0.834000 15.9994 - 10784 SYS 3595 TIP3 H1 A 0.417000 1.0079 - 10785 SYS 3595 TIP3 H2 A 0.417000 1.0079 - 10786 SYS 3596 TIP3 O1 C -0.834000 15.9994 - 10787 SYS 3596 TIP3 H1 A 0.417000 1.0079 - 10788 SYS 3596 TIP3 H2 A 0.417000 1.0079 - 10789 SYS 3597 TIP3 O1 C -0.834000 15.9994 - 10790 SYS 3597 TIP3 H1 A 0.417000 1.0079 - 10791 SYS 3597 TIP3 H2 A 0.417000 1.0079 - 10792 SYS 3598 TIP3 O1 C -0.834000 15.9994 - 10793 SYS 3598 TIP3 H1 A 0.417000 1.0079 - 10794 SYS 3598 TIP3 H2 A 0.417000 1.0079 - 10795 SYS 3599 TIP3 O1 C -0.834000 15.9994 - 10796 SYS 3599 TIP3 H1 A 0.417000 1.0079 - 10797 SYS 3599 TIP3 H2 A 0.417000 1.0079 - 10798 SYS 3600 TIP3 O1 C -0.834000 15.9994 - 10799 SYS 3600 TIP3 H1 A 0.417000 1.0079 - 10800 SYS 3600 TIP3 H2 A 0.417000 1.0079 - 10801 SYS 3601 TIP3 O1 C -0.834000 15.9994 - 10802 SYS 3601 TIP3 H1 A 0.417000 1.0079 - 10803 SYS 3601 TIP3 H2 A 0.417000 1.0079 - 10804 SYS 3602 TIP3 O1 C -0.834000 15.9994 - 10805 SYS 3602 TIP3 H1 A 0.417000 1.0079 - 10806 SYS 3602 TIP3 H2 A 0.417000 1.0079 - 10807 SYS 3603 TIP3 O1 C -0.834000 15.9994 - 10808 SYS 3603 TIP3 H1 A 0.417000 1.0079 - 10809 SYS 3603 TIP3 H2 A 0.417000 1.0079 - 10810 SYS 3604 TIP3 O1 C -0.834000 15.9994 - 10811 SYS 3604 TIP3 H1 A 0.417000 1.0079 - 10812 SYS 3604 TIP3 H2 A 0.417000 1.0079 - 10813 SYS 3605 TIP3 O1 C -0.834000 15.9994 - 10814 SYS 3605 TIP3 H1 A 0.417000 1.0079 - 10815 SYS 3605 TIP3 H2 A 0.417000 1.0079 - 10816 SYS 3606 TIP3 O1 C -0.834000 15.9994 - 10817 SYS 3606 TIP3 H1 A 0.417000 1.0079 - 10818 SYS 3606 TIP3 H2 A 0.417000 1.0079 - 10819 SYS 3607 TIP3 O1 C -0.834000 15.9994 - 10820 SYS 3607 TIP3 H1 A 0.417000 1.0079 - 10821 SYS 3607 TIP3 H2 A 0.417000 1.0079 - 10822 SYS 3608 TIP3 O1 C -0.834000 15.9994 - 10823 SYS 3608 TIP3 H1 A 0.417000 1.0079 - 10824 SYS 3608 TIP3 H2 A 0.417000 1.0079 - 10825 SYS 3609 TIP3 O1 C -0.834000 15.9994 - 10826 SYS 3609 TIP3 H1 A 0.417000 1.0079 - 10827 SYS 3609 TIP3 H2 A 0.417000 1.0079 - 10828 SYS 3610 TIP3 O1 C -0.834000 15.9994 - 10829 SYS 3610 TIP3 H1 A 0.417000 1.0079 - 10830 SYS 3610 TIP3 H2 A 0.417000 1.0079 - 10831 SYS 3611 TIP3 O1 C -0.834000 15.9994 - 10832 SYS 3611 TIP3 H1 A 0.417000 1.0079 - 10833 SYS 3611 TIP3 H2 A 0.417000 1.0079 - 10834 SYS 3612 TIP3 O1 C -0.834000 15.9994 - 10835 SYS 3612 TIP3 H1 A 0.417000 1.0079 - 10836 SYS 3612 TIP3 H2 A 0.417000 1.0079 - 10837 SYS 3613 TIP3 O1 C -0.834000 15.9994 - 10838 SYS 3613 TIP3 H1 A 0.417000 1.0079 - 10839 SYS 3613 TIP3 H2 A 0.417000 1.0079 - 10840 SYS 3614 TIP3 O1 C -0.834000 15.9994 - 10841 SYS 3614 TIP3 H1 A 0.417000 1.0079 - 10842 SYS 3614 TIP3 H2 A 0.417000 1.0079 - 10843 SYS 3615 TIP3 O1 C -0.834000 15.9994 - 10844 SYS 3615 TIP3 H1 A 0.417000 1.0079 - 10845 SYS 3615 TIP3 H2 A 0.417000 1.0079 - 10846 SYS 3616 TIP3 O1 C -0.834000 15.9994 - 10847 SYS 3616 TIP3 H1 A 0.417000 1.0079 - 10848 SYS 3616 TIP3 H2 A 0.417000 1.0079 - 10849 SYS 3617 TIP3 O1 C -0.834000 15.9994 - 10850 SYS 3617 TIP3 H1 A 0.417000 1.0079 - 10851 SYS 3617 TIP3 H2 A 0.417000 1.0079 - 10852 SYS 3618 TIP3 O1 C -0.834000 15.9994 - 10853 SYS 3618 TIP3 H1 A 0.417000 1.0079 - 10854 SYS 3618 TIP3 H2 A 0.417000 1.0079 - 10855 SYS 3619 TIP3 O1 C -0.834000 15.9994 - 10856 SYS 3619 TIP3 H1 A 0.417000 1.0079 - 10857 SYS 3619 TIP3 H2 A 0.417000 1.0079 - 10858 SYS 3620 TIP3 O1 C -0.834000 15.9994 - 10859 SYS 3620 TIP3 H1 A 0.417000 1.0079 - 10860 SYS 3620 TIP3 H2 A 0.417000 1.0079 - 10861 SYS 3621 TIP3 O1 C -0.834000 15.9994 - 10862 SYS 3621 TIP3 H1 A 0.417000 1.0079 - 10863 SYS 3621 TIP3 H2 A 0.417000 1.0079 - 10864 SYS 3622 TIP3 O1 C -0.834000 15.9994 - 10865 SYS 3622 TIP3 H1 A 0.417000 1.0079 - 10866 SYS 3622 TIP3 H2 A 0.417000 1.0079 - 10867 SYS 3623 TIP3 O1 C -0.834000 15.9994 - 10868 SYS 3623 TIP3 H1 A 0.417000 1.0079 - 10869 SYS 3623 TIP3 H2 A 0.417000 1.0079 - 10870 SYS 3624 TIP3 O1 C -0.834000 15.9994 - 10871 SYS 3624 TIP3 H1 A 0.417000 1.0079 - 10872 SYS 3624 TIP3 H2 A 0.417000 1.0079 - 10873 SYS 3625 TIP3 O1 C -0.834000 15.9994 - 10874 SYS 3625 TIP3 H1 A 0.417000 1.0079 - 10875 SYS 3625 TIP3 H2 A 0.417000 1.0079 - 10876 SYS 3626 TIP3 O1 C -0.834000 15.9994 - 10877 SYS 3626 TIP3 H1 A 0.417000 1.0079 - 10878 SYS 3626 TIP3 H2 A 0.417000 1.0079 - 10879 SYS 3627 TIP3 O1 C -0.834000 15.9994 - 10880 SYS 3627 TIP3 H1 A 0.417000 1.0079 - 10881 SYS 3627 TIP3 H2 A 0.417000 1.0079 - 10882 SYS 3628 TIP3 O1 C -0.834000 15.9994 - 10883 SYS 3628 TIP3 H1 A 0.417000 1.0079 - 10884 SYS 3628 TIP3 H2 A 0.417000 1.0079 - 10885 SYS 3629 TIP3 O1 C -0.834000 15.9994 - 10886 SYS 3629 TIP3 H1 A 0.417000 1.0079 - 10887 SYS 3629 TIP3 H2 A 0.417000 1.0079 - 10888 SYS 3630 TIP3 O1 C -0.834000 15.9994 - 10889 SYS 3630 TIP3 H1 A 0.417000 1.0079 - 10890 SYS 3630 TIP3 H2 A 0.417000 1.0079 - 10891 SYS 3631 TIP3 O1 C -0.834000 15.9994 - 10892 SYS 3631 TIP3 H1 A 0.417000 1.0079 - 10893 SYS 3631 TIP3 H2 A 0.417000 1.0079 - 10894 SYS 3632 TIP3 O1 C -0.834000 15.9994 - 10895 SYS 3632 TIP3 H1 A 0.417000 1.0079 - 10896 SYS 3632 TIP3 H2 A 0.417000 1.0079 - 10897 SYS 3633 TIP3 O1 C -0.834000 15.9994 - 10898 SYS 3633 TIP3 H1 A 0.417000 1.0079 - 10899 SYS 3633 TIP3 H2 A 0.417000 1.0079 - 10900 SYS 3634 TIP3 O1 C -0.834000 15.9994 - 10901 SYS 3634 TIP3 H1 A 0.417000 1.0079 - 10902 SYS 3634 TIP3 H2 A 0.417000 1.0079 - 10903 SYS 3635 TIP3 O1 C -0.834000 15.9994 - 10904 SYS 3635 TIP3 H1 A 0.417000 1.0079 - 10905 SYS 3635 TIP3 H2 A 0.417000 1.0079 - 10906 SYS 3636 TIP3 O1 C -0.834000 15.9994 - 10907 SYS 3636 TIP3 H1 A 0.417000 1.0079 - 10908 SYS 3636 TIP3 H2 A 0.417000 1.0079 - 10909 SYS 3637 TIP3 O1 C -0.834000 15.9994 - 10910 SYS 3637 TIP3 H1 A 0.417000 1.0079 - 10911 SYS 3637 TIP3 H2 A 0.417000 1.0079 - 10912 SYS 3638 TIP3 O1 C -0.834000 15.9994 - 10913 SYS 3638 TIP3 H1 A 0.417000 1.0079 - 10914 SYS 3638 TIP3 H2 A 0.417000 1.0079 - 10915 SYS 3639 TIP3 O1 C -0.834000 15.9994 - 10916 SYS 3639 TIP3 H1 A 0.417000 1.0079 - 10917 SYS 3639 TIP3 H2 A 0.417000 1.0079 - 10918 SYS 3640 TIP3 O1 C -0.834000 15.9994 - 10919 SYS 3640 TIP3 H1 A 0.417000 1.0079 - 10920 SYS 3640 TIP3 H2 A 0.417000 1.0079 - 10921 SYS 3641 TIP3 O1 C -0.834000 15.9994 - 10922 SYS 3641 TIP3 H1 A 0.417000 1.0079 - 10923 SYS 3641 TIP3 H2 A 0.417000 1.0079 - 10924 SYS 3642 TIP3 O1 C -0.834000 15.9994 - 10925 SYS 3642 TIP3 H1 A 0.417000 1.0079 - 10926 SYS 3642 TIP3 H2 A 0.417000 1.0079 - 10927 SYS 3643 TIP3 O1 C -0.834000 15.9994 - 10928 SYS 3643 TIP3 H1 A 0.417000 1.0079 - 10929 SYS 3643 TIP3 H2 A 0.417000 1.0079 - 10930 SYS 3644 TIP3 O1 C -0.834000 15.9994 - 10931 SYS 3644 TIP3 H1 A 0.417000 1.0079 - 10932 SYS 3644 TIP3 H2 A 0.417000 1.0079 - 10933 SYS 3645 TIP3 O1 C -0.834000 15.9994 - 10934 SYS 3645 TIP3 H1 A 0.417000 1.0079 - 10935 SYS 3645 TIP3 H2 A 0.417000 1.0079 - 10936 SYS 3646 TIP3 O1 C -0.834000 15.9994 - 10937 SYS 3646 TIP3 H1 A 0.417000 1.0079 - 10938 SYS 3646 TIP3 H2 A 0.417000 1.0079 - 10939 SYS 3647 TIP3 O1 C -0.834000 15.9994 - 10940 SYS 3647 TIP3 H1 A 0.417000 1.0079 - 10941 SYS 3647 TIP3 H2 A 0.417000 1.0079 - 10942 SYS 3648 TIP3 O1 C -0.834000 15.9994 - 10943 SYS 3648 TIP3 H1 A 0.417000 1.0079 - 10944 SYS 3648 TIP3 H2 A 0.417000 1.0079 - 10945 SYS 3649 TIP3 O1 C -0.834000 15.9994 - 10946 SYS 3649 TIP3 H1 A 0.417000 1.0079 - 10947 SYS 3649 TIP3 H2 A 0.417000 1.0079 - 10948 SYS 3650 TIP3 O1 C -0.834000 15.9994 - 10949 SYS 3650 TIP3 H1 A 0.417000 1.0079 - 10950 SYS 3650 TIP3 H2 A 0.417000 1.0079 - 10951 SYS 3651 TIP3 O1 C -0.834000 15.9994 - 10952 SYS 3651 TIP3 H1 A 0.417000 1.0079 - 10953 SYS 3651 TIP3 H2 A 0.417000 1.0079 - 10954 SYS 3652 TIP3 O1 C -0.834000 15.9994 - 10955 SYS 3652 TIP3 H1 A 0.417000 1.0079 - 10956 SYS 3652 TIP3 H2 A 0.417000 1.0079 - 10957 SYS 3653 TIP3 O1 C -0.834000 15.9994 - 10958 SYS 3653 TIP3 H1 A 0.417000 1.0079 - 10959 SYS 3653 TIP3 H2 A 0.417000 1.0079 - 10960 SYS 3654 TIP3 O1 C -0.834000 15.9994 - 10961 SYS 3654 TIP3 H1 A 0.417000 1.0079 - 10962 SYS 3654 TIP3 H2 A 0.417000 1.0079 - 10963 SYS 3655 TIP3 O1 C -0.834000 15.9994 - 10964 SYS 3655 TIP3 H1 A 0.417000 1.0079 - 10965 SYS 3655 TIP3 H2 A 0.417000 1.0079 - 10966 SYS 3656 TIP3 O1 C -0.834000 15.9994 - 10967 SYS 3656 TIP3 H1 A 0.417000 1.0079 - 10968 SYS 3656 TIP3 H2 A 0.417000 1.0079 - 10969 SYS 3657 TIP3 O1 C -0.834000 15.9994 - 10970 SYS 3657 TIP3 H1 A 0.417000 1.0079 - 10971 SYS 3657 TIP3 H2 A 0.417000 1.0079 - 10972 SYS 3658 TIP3 O1 C -0.834000 15.9994 - 10973 SYS 3658 TIP3 H1 A 0.417000 1.0079 - 10974 SYS 3658 TIP3 H2 A 0.417000 1.0079 - 10975 SYS 3659 TIP3 O1 C -0.834000 15.9994 - 10976 SYS 3659 TIP3 H1 A 0.417000 1.0079 - 10977 SYS 3659 TIP3 H2 A 0.417000 1.0079 - 10978 SYS 3660 TIP3 O1 C -0.834000 15.9994 - 10979 SYS 3660 TIP3 H1 A 0.417000 1.0079 - 10980 SYS 3660 TIP3 H2 A 0.417000 1.0079 - 10981 SYS 3661 TIP3 O1 C -0.834000 15.9994 - 10982 SYS 3661 TIP3 H1 A 0.417000 1.0079 - 10983 SYS 3661 TIP3 H2 A 0.417000 1.0079 - 10984 SYS 3662 TIP3 O1 C -0.834000 15.9994 - 10985 SYS 3662 TIP3 H1 A 0.417000 1.0079 - 10986 SYS 3662 TIP3 H2 A 0.417000 1.0079 - 10987 SYS 3663 TIP3 O1 C -0.834000 15.9994 - 10988 SYS 3663 TIP3 H1 A 0.417000 1.0079 - 10989 SYS 3663 TIP3 H2 A 0.417000 1.0079 - 10990 SYS 3664 TIP3 O1 C -0.834000 15.9994 - 10991 SYS 3664 TIP3 H1 A 0.417000 1.0079 - 10992 SYS 3664 TIP3 H2 A 0.417000 1.0079 - 10993 SYS 3665 TIP3 O1 C -0.834000 15.9994 - 10994 SYS 3665 TIP3 H1 A 0.417000 1.0079 - 10995 SYS 3665 TIP3 H2 A 0.417000 1.0079 - 10996 SYS 3666 TIP3 O1 C -0.834000 15.9994 - 10997 SYS 3666 TIP3 H1 A 0.417000 1.0079 - 10998 SYS 3666 TIP3 H2 A 0.417000 1.0079 - 10999 SYS 3667 TIP3 O1 C -0.834000 15.9994 - 11000 SYS 3667 TIP3 H1 A 0.417000 1.0079 - 11001 SYS 3667 TIP3 H2 A 0.417000 1.0079 - 11002 SYS 3668 TIP3 O1 C -0.834000 15.9994 - 11003 SYS 3668 TIP3 H1 A 0.417000 1.0079 - 11004 SYS 3668 TIP3 H2 A 0.417000 1.0079 - 11005 SYS 3669 TIP3 O1 C -0.834000 15.9994 - 11006 SYS 3669 TIP3 H1 A 0.417000 1.0079 - 11007 SYS 3669 TIP3 H2 A 0.417000 1.0079 - 11008 SYS 3670 TIP3 O1 C -0.834000 15.9994 - 11009 SYS 3670 TIP3 H1 A 0.417000 1.0079 - 11010 SYS 3670 TIP3 H2 A 0.417000 1.0079 - 11011 SYS 3671 TIP3 O1 C -0.834000 15.9994 - 11012 SYS 3671 TIP3 H1 A 0.417000 1.0079 - 11013 SYS 3671 TIP3 H2 A 0.417000 1.0079 - 11014 SYS 3672 TIP3 O1 C -0.834000 15.9994 - 11015 SYS 3672 TIP3 H1 A 0.417000 1.0079 - 11016 SYS 3672 TIP3 H2 A 0.417000 1.0079 - 11017 SYS 3673 TIP3 O1 C -0.834000 15.9994 - 11018 SYS 3673 TIP3 H1 A 0.417000 1.0079 - 11019 SYS 3673 TIP3 H2 A 0.417000 1.0079 - 11020 SYS 3674 TIP3 O1 C -0.834000 15.9994 - 11021 SYS 3674 TIP3 H1 A 0.417000 1.0079 - 11022 SYS 3674 TIP3 H2 A 0.417000 1.0079 - 11023 SYS 3675 TIP3 O1 C -0.834000 15.9994 - 11024 SYS 3675 TIP3 H1 A 0.417000 1.0079 - 11025 SYS 3675 TIP3 H2 A 0.417000 1.0079 - 11026 SYS 3676 TIP3 O1 C -0.834000 15.9994 - 11027 SYS 3676 TIP3 H1 A 0.417000 1.0079 - 11028 SYS 3676 TIP3 H2 A 0.417000 1.0079 - 11029 SYS 3677 TIP3 O1 C -0.834000 15.9994 - 11030 SYS 3677 TIP3 H1 A 0.417000 1.0079 - 11031 SYS 3677 TIP3 H2 A 0.417000 1.0079 - 11032 SYS 3678 TIP3 O1 C -0.834000 15.9994 - 11033 SYS 3678 TIP3 H1 A 0.417000 1.0079 - 11034 SYS 3678 TIP3 H2 A 0.417000 1.0079 - 11035 SYS 3679 TIP3 O1 C -0.834000 15.9994 - 11036 SYS 3679 TIP3 H1 A 0.417000 1.0079 - 11037 SYS 3679 TIP3 H2 A 0.417000 1.0079 - 11038 SYS 3680 TIP3 O1 C -0.834000 15.9994 - 11039 SYS 3680 TIP3 H1 A 0.417000 1.0079 - 11040 SYS 3680 TIP3 H2 A 0.417000 1.0079 - 11041 SYS 3681 TIP3 O1 C -0.834000 15.9994 - 11042 SYS 3681 TIP3 H1 A 0.417000 1.0079 - 11043 SYS 3681 TIP3 H2 A 0.417000 1.0079 - 11044 SYS 3682 TIP3 O1 C -0.834000 15.9994 - 11045 SYS 3682 TIP3 H1 A 0.417000 1.0079 - 11046 SYS 3682 TIP3 H2 A 0.417000 1.0079 - 11047 SYS 3683 TIP3 O1 C -0.834000 15.9994 - 11048 SYS 3683 TIP3 H1 A 0.417000 1.0079 - 11049 SYS 3683 TIP3 H2 A 0.417000 1.0079 - 11050 SYS 3684 TIP3 O1 C -0.834000 15.9994 - 11051 SYS 3684 TIP3 H1 A 0.417000 1.0079 - 11052 SYS 3684 TIP3 H2 A 0.417000 1.0079 - 11053 SYS 3685 TIP3 O1 C -0.834000 15.9994 - 11054 SYS 3685 TIP3 H1 A 0.417000 1.0079 - 11055 SYS 3685 TIP3 H2 A 0.417000 1.0079 - 11056 SYS 3686 TIP3 O1 C -0.834000 15.9994 - 11057 SYS 3686 TIP3 H1 A 0.417000 1.0079 - 11058 SYS 3686 TIP3 H2 A 0.417000 1.0079 - 11059 SYS 3687 TIP3 O1 C -0.834000 15.9994 - 11060 SYS 3687 TIP3 H1 A 0.417000 1.0079 - 11061 SYS 3687 TIP3 H2 A 0.417000 1.0079 - 11062 SYS 3688 TIP3 O1 C -0.834000 15.9994 - 11063 SYS 3688 TIP3 H1 A 0.417000 1.0079 - 11064 SYS 3688 TIP3 H2 A 0.417000 1.0079 - 11065 SYS 3689 TIP3 O1 C -0.834000 15.9994 - 11066 SYS 3689 TIP3 H1 A 0.417000 1.0079 - 11067 SYS 3689 TIP3 H2 A 0.417000 1.0079 - 11068 SYS 3690 TIP3 O1 C -0.834000 15.9994 - 11069 SYS 3690 TIP3 H1 A 0.417000 1.0079 - 11070 SYS 3690 TIP3 H2 A 0.417000 1.0079 - 11071 SYS 3691 TIP3 O1 C -0.834000 15.9994 - 11072 SYS 3691 TIP3 H1 A 0.417000 1.0079 - 11073 SYS 3691 TIP3 H2 A 0.417000 1.0079 - 11074 SYS 3692 TIP3 O1 C -0.834000 15.9994 - 11075 SYS 3692 TIP3 H1 A 0.417000 1.0079 - 11076 SYS 3692 TIP3 H2 A 0.417000 1.0079 - 11077 SYS 3693 TIP3 O1 C -0.834000 15.9994 - 11078 SYS 3693 TIP3 H1 A 0.417000 1.0079 - 11079 SYS 3693 TIP3 H2 A 0.417000 1.0079 - 11080 SYS 3694 TIP3 O1 C -0.834000 15.9994 - 11081 SYS 3694 TIP3 H1 A 0.417000 1.0079 - 11082 SYS 3694 TIP3 H2 A 0.417000 1.0079 - 11083 SYS 3695 TIP3 O1 C -0.834000 15.9994 - 11084 SYS 3695 TIP3 H1 A 0.417000 1.0079 - 11085 SYS 3695 TIP3 H2 A 0.417000 1.0079 - 11086 SYS 3696 TIP3 O1 C -0.834000 15.9994 - 11087 SYS 3696 TIP3 H1 A 0.417000 1.0079 - 11088 SYS 3696 TIP3 H2 A 0.417000 1.0079 - 11089 SYS 3697 TIP3 O1 C -0.834000 15.9994 - 11090 SYS 3697 TIP3 H1 A 0.417000 1.0079 - 11091 SYS 3697 TIP3 H2 A 0.417000 1.0079 - 11092 SYS 3698 TIP3 O1 C -0.834000 15.9994 - 11093 SYS 3698 TIP3 H1 A 0.417000 1.0079 - 11094 SYS 3698 TIP3 H2 A 0.417000 1.0079 - 11095 SYS 3699 TIP3 O1 C -0.834000 15.9994 - 11096 SYS 3699 TIP3 H1 A 0.417000 1.0079 - 11097 SYS 3699 TIP3 H2 A 0.417000 1.0079 - 11098 SYS 3700 TIP3 O1 C -0.834000 15.9994 - 11099 SYS 3700 TIP3 H1 A 0.417000 1.0079 - 11100 SYS 3700 TIP3 H2 A 0.417000 1.0079 - 11101 SYS 3701 TIP3 O1 C -0.834000 15.9994 - 11102 SYS 3701 TIP3 H1 A 0.417000 1.0079 - 11103 SYS 3701 TIP3 H2 A 0.417000 1.0079 - 11104 SYS 3702 TIP3 O1 C -0.834000 15.9994 - 11105 SYS 3702 TIP3 H1 A 0.417000 1.0079 - 11106 SYS 3702 TIP3 H2 A 0.417000 1.0079 - 11107 SYS 3703 TIP3 O1 C -0.834000 15.9994 - 11108 SYS 3703 TIP3 H1 A 0.417000 1.0079 - 11109 SYS 3703 TIP3 H2 A 0.417000 1.0079 - 11110 SYS 3704 TIP3 O1 C -0.834000 15.9994 - 11111 SYS 3704 TIP3 H1 A 0.417000 1.0079 - 11112 SYS 3704 TIP3 H2 A 0.417000 1.0079 - 11113 SYS 3705 TIP3 O1 C -0.834000 15.9994 - 11114 SYS 3705 TIP3 H1 A 0.417000 1.0079 - 11115 SYS 3705 TIP3 H2 A 0.417000 1.0079 - 11116 SYS 3706 TIP3 O1 C -0.834000 15.9994 - 11117 SYS 3706 TIP3 H1 A 0.417000 1.0079 - 11118 SYS 3706 TIP3 H2 A 0.417000 1.0079 - 11119 SYS 3707 TIP3 O1 C -0.834000 15.9994 - 11120 SYS 3707 TIP3 H1 A 0.417000 1.0079 - 11121 SYS 3707 TIP3 H2 A 0.417000 1.0079 - 11122 SYS 3708 TIP3 O1 C -0.834000 15.9994 - 11123 SYS 3708 TIP3 H1 A 0.417000 1.0079 - 11124 SYS 3708 TIP3 H2 A 0.417000 1.0079 - 11125 SYS 3709 TIP3 O1 C -0.834000 15.9994 - 11126 SYS 3709 TIP3 H1 A 0.417000 1.0079 - 11127 SYS 3709 TIP3 H2 A 0.417000 1.0079 - 11128 SYS 3710 TIP3 O1 C -0.834000 15.9994 - 11129 SYS 3710 TIP3 H1 A 0.417000 1.0079 - 11130 SYS 3710 TIP3 H2 A 0.417000 1.0079 - 11131 SYS 3711 TIP3 O1 C -0.834000 15.9994 - 11132 SYS 3711 TIP3 H1 A 0.417000 1.0079 - 11133 SYS 3711 TIP3 H2 A 0.417000 1.0079 - 11134 SYS 3712 TIP3 O1 C -0.834000 15.9994 - 11135 SYS 3712 TIP3 H1 A 0.417000 1.0079 - 11136 SYS 3712 TIP3 H2 A 0.417000 1.0079 - 11137 SYS 3713 TIP3 O1 C -0.834000 15.9994 - 11138 SYS 3713 TIP3 H1 A 0.417000 1.0079 - 11139 SYS 3713 TIP3 H2 A 0.417000 1.0079 - 11140 SYS 3714 TIP3 O1 C -0.834000 15.9994 - 11141 SYS 3714 TIP3 H1 A 0.417000 1.0079 - 11142 SYS 3714 TIP3 H2 A 0.417000 1.0079 - 11143 SYS 3715 TIP3 O1 C -0.834000 15.9994 - 11144 SYS 3715 TIP3 H1 A 0.417000 1.0079 - 11145 SYS 3715 TIP3 H2 A 0.417000 1.0079 - 11146 SYS 3716 TIP3 O1 C -0.834000 15.9994 - 11147 SYS 3716 TIP3 H1 A 0.417000 1.0079 - 11148 SYS 3716 TIP3 H2 A 0.417000 1.0079 - 11149 SYS 3717 TIP3 O1 C -0.834000 15.9994 - 11150 SYS 3717 TIP3 H1 A 0.417000 1.0079 - 11151 SYS 3717 TIP3 H2 A 0.417000 1.0079 - 11152 SYS 3718 TIP3 O1 C -0.834000 15.9994 - 11153 SYS 3718 TIP3 H1 A 0.417000 1.0079 - 11154 SYS 3718 TIP3 H2 A 0.417000 1.0079 - 11155 SYS 3719 TIP3 O1 C -0.834000 15.9994 - 11156 SYS 3719 TIP3 H1 A 0.417000 1.0079 - 11157 SYS 3719 TIP3 H2 A 0.417000 1.0079 - 11158 SYS 3720 TIP3 O1 C -0.834000 15.9994 - 11159 SYS 3720 TIP3 H1 A 0.417000 1.0079 - 11160 SYS 3720 TIP3 H2 A 0.417000 1.0079 - 11161 SYS 3721 TIP3 O1 C -0.834000 15.9994 - 11162 SYS 3721 TIP3 H1 A 0.417000 1.0079 - 11163 SYS 3721 TIP3 H2 A 0.417000 1.0079 - 11164 SYS 3722 TIP3 O1 C -0.834000 15.9994 - 11165 SYS 3722 TIP3 H1 A 0.417000 1.0079 - 11166 SYS 3722 TIP3 H2 A 0.417000 1.0079 - 11167 SYS 3723 TIP3 O1 C -0.834000 15.9994 - 11168 SYS 3723 TIP3 H1 A 0.417000 1.0079 - 11169 SYS 3723 TIP3 H2 A 0.417000 1.0079 - 11170 SYS 3724 TIP3 O1 C -0.834000 15.9994 - 11171 SYS 3724 TIP3 H1 A 0.417000 1.0079 - 11172 SYS 3724 TIP3 H2 A 0.417000 1.0079 - 11173 SYS 3725 TIP3 O1 C -0.834000 15.9994 - 11174 SYS 3725 TIP3 H1 A 0.417000 1.0079 - 11175 SYS 3725 TIP3 H2 A 0.417000 1.0079 - 11176 SYS 3726 TIP3 O1 C -0.834000 15.9994 - 11177 SYS 3726 TIP3 H1 A 0.417000 1.0079 - 11178 SYS 3726 TIP3 H2 A 0.417000 1.0079 - 11179 SYS 3727 TIP3 O1 C -0.834000 15.9994 - 11180 SYS 3727 TIP3 H1 A 0.417000 1.0079 - 11181 SYS 3727 TIP3 H2 A 0.417000 1.0079 - 11182 SYS 3728 TIP3 O1 C -0.834000 15.9994 - 11183 SYS 3728 TIP3 H1 A 0.417000 1.0079 - 11184 SYS 3728 TIP3 H2 A 0.417000 1.0079 - 11185 SYS 3729 TIP3 O1 C -0.834000 15.9994 - 11186 SYS 3729 TIP3 H1 A 0.417000 1.0079 - 11187 SYS 3729 TIP3 H2 A 0.417000 1.0079 - 11188 SYS 3730 TIP3 O1 C -0.834000 15.9994 - 11189 SYS 3730 TIP3 H1 A 0.417000 1.0079 - 11190 SYS 3730 TIP3 H2 A 0.417000 1.0079 - 11191 SYS 3731 TIP3 O1 C -0.834000 15.9994 - 11192 SYS 3731 TIP3 H1 A 0.417000 1.0079 - 11193 SYS 3731 TIP3 H2 A 0.417000 1.0079 - 11194 SYS 3732 TIP3 O1 C -0.834000 15.9994 - 11195 SYS 3732 TIP3 H1 A 0.417000 1.0079 - 11196 SYS 3732 TIP3 H2 A 0.417000 1.0079 - 11197 SYS 3733 TIP3 O1 C -0.834000 15.9994 - 11198 SYS 3733 TIP3 H1 A 0.417000 1.0079 - 11199 SYS 3733 TIP3 H2 A 0.417000 1.0079 - 11200 SYS 3734 TIP3 O1 C -0.834000 15.9994 - 11201 SYS 3734 TIP3 H1 A 0.417000 1.0079 - 11202 SYS 3734 TIP3 H2 A 0.417000 1.0079 - 11203 SYS 3735 TIP3 O1 C -0.834000 15.9994 - 11204 SYS 3735 TIP3 H1 A 0.417000 1.0079 - 11205 SYS 3735 TIP3 H2 A 0.417000 1.0079 - 11206 SYS 3736 TIP3 O1 C -0.834000 15.9994 - 11207 SYS 3736 TIP3 H1 A 0.417000 1.0079 - 11208 SYS 3736 TIP3 H2 A 0.417000 1.0079 - 11209 SYS 3737 TIP3 O1 C -0.834000 15.9994 - 11210 SYS 3737 TIP3 H1 A 0.417000 1.0079 - 11211 SYS 3737 TIP3 H2 A 0.417000 1.0079 - 11212 SYS 3738 TIP3 O1 C -0.834000 15.9994 - 11213 SYS 3738 TIP3 H1 A 0.417000 1.0079 - 11214 SYS 3738 TIP3 H2 A 0.417000 1.0079 - 11215 SYS 3739 TIP3 O1 C -0.834000 15.9994 - 11216 SYS 3739 TIP3 H1 A 0.417000 1.0079 - 11217 SYS 3739 TIP3 H2 A 0.417000 1.0079 - 11218 SYS 3740 TIP3 O1 C -0.834000 15.9994 - 11219 SYS 3740 TIP3 H1 A 0.417000 1.0079 - 11220 SYS 3740 TIP3 H2 A 0.417000 1.0079 - 11221 SYS 3741 TIP3 O1 C -0.834000 15.9994 - 11222 SYS 3741 TIP3 H1 A 0.417000 1.0079 - 11223 SYS 3741 TIP3 H2 A 0.417000 1.0079 - 11224 SYS 3742 TIP3 O1 C -0.834000 15.9994 - 11225 SYS 3742 TIP3 H1 A 0.417000 1.0079 - 11226 SYS 3742 TIP3 H2 A 0.417000 1.0079 - 11227 SYS 3743 TIP3 O1 C -0.834000 15.9994 - 11228 SYS 3743 TIP3 H1 A 0.417000 1.0079 - 11229 SYS 3743 TIP3 H2 A 0.417000 1.0079 - 11230 SYS 3744 TIP3 O1 C -0.834000 15.9994 - 11231 SYS 3744 TIP3 H1 A 0.417000 1.0079 - 11232 SYS 3744 TIP3 H2 A 0.417000 1.0079 - 11233 SYS 3745 TIP3 O1 C -0.834000 15.9994 - 11234 SYS 3745 TIP3 H1 A 0.417000 1.0079 - 11235 SYS 3745 TIP3 H2 A 0.417000 1.0079 - 11236 SYS 3746 TIP3 O1 C -0.834000 15.9994 - 11237 SYS 3746 TIP3 H1 A 0.417000 1.0079 - 11238 SYS 3746 TIP3 H2 A 0.417000 1.0079 - 11239 SYS 3747 TIP3 O1 C -0.834000 15.9994 - 11240 SYS 3747 TIP3 H1 A 0.417000 1.0079 - 11241 SYS 3747 TIP3 H2 A 0.417000 1.0079 - 11242 SYS 3748 TIP3 O1 C -0.834000 15.9994 - 11243 SYS 3748 TIP3 H1 A 0.417000 1.0079 - 11244 SYS 3748 TIP3 H2 A 0.417000 1.0079 - 11245 SYS 3749 TIP3 O1 C -0.834000 15.9994 - 11246 SYS 3749 TIP3 H1 A 0.417000 1.0079 - 11247 SYS 3749 TIP3 H2 A 0.417000 1.0079 - 11248 SYS 3750 TIP3 O1 C -0.834000 15.9994 - 11249 SYS 3750 TIP3 H1 A 0.417000 1.0079 - 11250 SYS 3750 TIP3 H2 A 0.417000 1.0079 - 11251 SYS 3751 TIP3 O1 C -0.834000 15.9994 - 11252 SYS 3751 TIP3 H1 A 0.417000 1.0079 - 11253 SYS 3751 TIP3 H2 A 0.417000 1.0079 - 11254 SYS 3752 TIP3 O1 C -0.834000 15.9994 - 11255 SYS 3752 TIP3 H1 A 0.417000 1.0079 - 11256 SYS 3752 TIP3 H2 A 0.417000 1.0079 - 11257 SYS 3753 TIP3 O1 C -0.834000 15.9994 - 11258 SYS 3753 TIP3 H1 A 0.417000 1.0079 - 11259 SYS 3753 TIP3 H2 A 0.417000 1.0079 - 11260 SYS 3754 TIP3 O1 C -0.834000 15.9994 - 11261 SYS 3754 TIP3 H1 A 0.417000 1.0079 - 11262 SYS 3754 TIP3 H2 A 0.417000 1.0079 - 11263 SYS 3755 TIP3 O1 C -0.834000 15.9994 - 11264 SYS 3755 TIP3 H1 A 0.417000 1.0079 - 11265 SYS 3755 TIP3 H2 A 0.417000 1.0079 - 11266 SYS 3756 TIP3 O1 C -0.834000 15.9994 - 11267 SYS 3756 TIP3 H1 A 0.417000 1.0079 - 11268 SYS 3756 TIP3 H2 A 0.417000 1.0079 - 11269 SYS 3757 TIP3 O1 C -0.834000 15.9994 - 11270 SYS 3757 TIP3 H1 A 0.417000 1.0079 - 11271 SYS 3757 TIP3 H2 A 0.417000 1.0079 - 11272 SYS 3758 TIP3 O1 C -0.834000 15.9994 - 11273 SYS 3758 TIP3 H1 A 0.417000 1.0079 - 11274 SYS 3758 TIP3 H2 A 0.417000 1.0079 - 11275 SYS 3759 TIP3 O1 C -0.834000 15.9994 - 11276 SYS 3759 TIP3 H1 A 0.417000 1.0079 - 11277 SYS 3759 TIP3 H2 A 0.417000 1.0079 - 11278 SYS 3760 TIP3 O1 C -0.834000 15.9994 - 11279 SYS 3760 TIP3 H1 A 0.417000 1.0079 - 11280 SYS 3760 TIP3 H2 A 0.417000 1.0079 - 11281 SYS 3761 TIP3 O1 C -0.834000 15.9994 - 11282 SYS 3761 TIP3 H1 A 0.417000 1.0079 - 11283 SYS 3761 TIP3 H2 A 0.417000 1.0079 - 11284 SYS 3762 TIP3 O1 C -0.834000 15.9994 - 11285 SYS 3762 TIP3 H1 A 0.417000 1.0079 - 11286 SYS 3762 TIP3 H2 A 0.417000 1.0079 - 11287 SYS 3763 TIP3 O1 C -0.834000 15.9994 - 11288 SYS 3763 TIP3 H1 A 0.417000 1.0079 - 11289 SYS 3763 TIP3 H2 A 0.417000 1.0079 - 11290 SYS 3764 TIP3 O1 C -0.834000 15.9994 - 11291 SYS 3764 TIP3 H1 A 0.417000 1.0079 - 11292 SYS 3764 TIP3 H2 A 0.417000 1.0079 - 11293 SYS 3765 TIP3 O1 C -0.834000 15.9994 - 11294 SYS 3765 TIP3 H1 A 0.417000 1.0079 - 11295 SYS 3765 TIP3 H2 A 0.417000 1.0079 - 11296 SYS 3766 TIP3 O1 C -0.834000 15.9994 - 11297 SYS 3766 TIP3 H1 A 0.417000 1.0079 - 11298 SYS 3766 TIP3 H2 A 0.417000 1.0079 - 11299 SYS 3767 TIP3 O1 C -0.834000 15.9994 - 11300 SYS 3767 TIP3 H1 A 0.417000 1.0079 - 11301 SYS 3767 TIP3 H2 A 0.417000 1.0079 - 11302 SYS 3768 TIP3 O1 C -0.834000 15.9994 - 11303 SYS 3768 TIP3 H1 A 0.417000 1.0079 - 11304 SYS 3768 TIP3 H2 A 0.417000 1.0079 - 11305 SYS 3769 TIP3 O1 C -0.834000 15.9994 - 11306 SYS 3769 TIP3 H1 A 0.417000 1.0079 - 11307 SYS 3769 TIP3 H2 A 0.417000 1.0079 - 11308 SYS 3770 TIP3 O1 C -0.834000 15.9994 - 11309 SYS 3770 TIP3 H1 A 0.417000 1.0079 - 11310 SYS 3770 TIP3 H2 A 0.417000 1.0079 - 11311 SYS 3771 TIP3 O1 C -0.834000 15.9994 - 11312 SYS 3771 TIP3 H1 A 0.417000 1.0079 - 11313 SYS 3771 TIP3 H2 A 0.417000 1.0079 - 11314 SYS 3772 TIP3 O1 C -0.834000 15.9994 - 11315 SYS 3772 TIP3 H1 A 0.417000 1.0079 - 11316 SYS 3772 TIP3 H2 A 0.417000 1.0079 - 11317 SYS 3773 TIP3 O1 C -0.834000 15.9994 - 11318 SYS 3773 TIP3 H1 A 0.417000 1.0079 - 11319 SYS 3773 TIP3 H2 A 0.417000 1.0079 - 11320 SYS 3774 TIP3 O1 C -0.834000 15.9994 - 11321 SYS 3774 TIP3 H1 A 0.417000 1.0079 - 11322 SYS 3774 TIP3 H2 A 0.417000 1.0079 - 11323 SYS 3775 TIP3 O1 C -0.834000 15.9994 - 11324 SYS 3775 TIP3 H1 A 0.417000 1.0079 - 11325 SYS 3775 TIP3 H2 A 0.417000 1.0079 - 11326 SYS 3776 TIP3 O1 C -0.834000 15.9994 - 11327 SYS 3776 TIP3 H1 A 0.417000 1.0079 - 11328 SYS 3776 TIP3 H2 A 0.417000 1.0079 - 11329 SYS 3777 TIP3 O1 C -0.834000 15.9994 - 11330 SYS 3777 TIP3 H1 A 0.417000 1.0079 - 11331 SYS 3777 TIP3 H2 A 0.417000 1.0079 - 11332 SYS 3778 TIP3 O1 C -0.834000 15.9994 - 11333 SYS 3778 TIP3 H1 A 0.417000 1.0079 - 11334 SYS 3778 TIP3 H2 A 0.417000 1.0079 - 11335 SYS 3779 TIP3 O1 C -0.834000 15.9994 - 11336 SYS 3779 TIP3 H1 A 0.417000 1.0079 - 11337 SYS 3779 TIP3 H2 A 0.417000 1.0079 - 11338 SYS 3780 TIP3 O1 C -0.834000 15.9994 - 11339 SYS 3780 TIP3 H1 A 0.417000 1.0079 - 11340 SYS 3780 TIP3 H2 A 0.417000 1.0079 - 11341 SYS 3781 TIP3 O1 C -0.834000 15.9994 - 11342 SYS 3781 TIP3 H1 A 0.417000 1.0079 - 11343 SYS 3781 TIP3 H2 A 0.417000 1.0079 - 11344 SYS 3782 TIP3 O1 C -0.834000 15.9994 - 11345 SYS 3782 TIP3 H1 A 0.417000 1.0079 - 11346 SYS 3782 TIP3 H2 A 0.417000 1.0079 - 11347 SYS 3783 TIP3 O1 C -0.834000 15.9994 - 11348 SYS 3783 TIP3 H1 A 0.417000 1.0079 - 11349 SYS 3783 TIP3 H2 A 0.417000 1.0079 - 11350 SYS 3784 TIP3 O1 C -0.834000 15.9994 - 11351 SYS 3784 TIP3 H1 A 0.417000 1.0079 - 11352 SYS 3784 TIP3 H2 A 0.417000 1.0079 - 11353 SYS 3785 TIP3 O1 C -0.834000 15.9994 - 11354 SYS 3785 TIP3 H1 A 0.417000 1.0079 - 11355 SYS 3785 TIP3 H2 A 0.417000 1.0079 - 11356 SYS 3786 TIP3 O1 C -0.834000 15.9994 - 11357 SYS 3786 TIP3 H1 A 0.417000 1.0079 - 11358 SYS 3786 TIP3 H2 A 0.417000 1.0079 - 11359 SYS 3787 TIP3 O1 C -0.834000 15.9994 - 11360 SYS 3787 TIP3 H1 A 0.417000 1.0079 - 11361 SYS 3787 TIP3 H2 A 0.417000 1.0079 - 11362 SYS 3788 TIP3 O1 C -0.834000 15.9994 - 11363 SYS 3788 TIP3 H1 A 0.417000 1.0079 - 11364 SYS 3788 TIP3 H2 A 0.417000 1.0079 - 11365 SYS 3789 TIP3 O1 C -0.834000 15.9994 - 11366 SYS 3789 TIP3 H1 A 0.417000 1.0079 - 11367 SYS 3789 TIP3 H2 A 0.417000 1.0079 - 11368 SYS 3790 TIP3 O1 C -0.834000 15.9994 - 11369 SYS 3790 TIP3 H1 A 0.417000 1.0079 - 11370 SYS 3790 TIP3 H2 A 0.417000 1.0079 - 11371 SYS 3791 TIP3 O1 C -0.834000 15.9994 - 11372 SYS 3791 TIP3 H1 A 0.417000 1.0079 - 11373 SYS 3791 TIP3 H2 A 0.417000 1.0079 - 11374 SYS 3792 TIP3 O1 C -0.834000 15.9994 - 11375 SYS 3792 TIP3 H1 A 0.417000 1.0079 - 11376 SYS 3792 TIP3 H2 A 0.417000 1.0079 - 11377 SYS 3793 TIP3 O1 C -0.834000 15.9994 - 11378 SYS 3793 TIP3 H1 A 0.417000 1.0079 - 11379 SYS 3793 TIP3 H2 A 0.417000 1.0079 - 11380 SYS 3794 TIP3 O1 C -0.834000 15.9994 - 11381 SYS 3794 TIP3 H1 A 0.417000 1.0079 - 11382 SYS 3794 TIP3 H2 A 0.417000 1.0079 - 11383 SYS 3795 TIP3 O1 C -0.834000 15.9994 - 11384 SYS 3795 TIP3 H1 A 0.417000 1.0079 - 11385 SYS 3795 TIP3 H2 A 0.417000 1.0079 - 11386 SYS 3796 TIP3 O1 C -0.834000 15.9994 - 11387 SYS 3796 TIP3 H1 A 0.417000 1.0079 - 11388 SYS 3796 TIP3 H2 A 0.417000 1.0079 - 11389 SYS 3797 TIP3 O1 C -0.834000 15.9994 - 11390 SYS 3797 TIP3 H1 A 0.417000 1.0079 - 11391 SYS 3797 TIP3 H2 A 0.417000 1.0079 - 11392 SYS 3798 TIP3 O1 C -0.834000 15.9994 - 11393 SYS 3798 TIP3 H1 A 0.417000 1.0079 - 11394 SYS 3798 TIP3 H2 A 0.417000 1.0079 - 11395 SYS 3799 TIP3 O1 C -0.834000 15.9994 - 11396 SYS 3799 TIP3 H1 A 0.417000 1.0079 - 11397 SYS 3799 TIP3 H2 A 0.417000 1.0079 - 11398 SYS 3800 TIP3 O1 C -0.834000 15.9994 - 11399 SYS 3800 TIP3 H1 A 0.417000 1.0079 - 11400 SYS 3800 TIP3 H2 A 0.417000 1.0079 - 11401 SYS 3801 TIP3 O1 C -0.834000 15.9994 - 11402 SYS 3801 TIP3 H1 A 0.417000 1.0079 - 11403 SYS 3801 TIP3 H2 A 0.417000 1.0079 - 11404 SYS 3802 TIP3 O1 C -0.834000 15.9994 - 11405 SYS 3802 TIP3 H1 A 0.417000 1.0079 - 11406 SYS 3802 TIP3 H2 A 0.417000 1.0079 - 11407 SYS 3803 TIP3 O1 C -0.834000 15.9994 - 11408 SYS 3803 TIP3 H1 A 0.417000 1.0079 - 11409 SYS 3803 TIP3 H2 A 0.417000 1.0079 - 11410 SYS 3804 TIP3 O1 C -0.834000 15.9994 - 11411 SYS 3804 TIP3 H1 A 0.417000 1.0079 - 11412 SYS 3804 TIP3 H2 A 0.417000 1.0079 - 11413 SYS 3805 TIP3 O1 C -0.834000 15.9994 - 11414 SYS 3805 TIP3 H1 A 0.417000 1.0079 - 11415 SYS 3805 TIP3 H2 A 0.417000 1.0079 - 11416 SYS 3806 TIP3 O1 C -0.834000 15.9994 - 11417 SYS 3806 TIP3 H1 A 0.417000 1.0079 - 11418 SYS 3806 TIP3 H2 A 0.417000 1.0079 - 11419 SYS 3807 TIP3 O1 C -0.834000 15.9994 - 11420 SYS 3807 TIP3 H1 A 0.417000 1.0079 - 11421 SYS 3807 TIP3 H2 A 0.417000 1.0079 - 11422 SYS 3808 TIP3 O1 C -0.834000 15.9994 - 11423 SYS 3808 TIP3 H1 A 0.417000 1.0079 - 11424 SYS 3808 TIP3 H2 A 0.417000 1.0079 - 11425 SYS 3809 TIP3 O1 C -0.834000 15.9994 - 11426 SYS 3809 TIP3 H1 A 0.417000 1.0079 - 11427 SYS 3809 TIP3 H2 A 0.417000 1.0079 - 11428 SYS 3810 TIP3 O1 C -0.834000 15.9994 - 11429 SYS 3810 TIP3 H1 A 0.417000 1.0079 - 11430 SYS 3810 TIP3 H2 A 0.417000 1.0079 - 11431 SYS 3811 TIP3 O1 C -0.834000 15.9994 - 11432 SYS 3811 TIP3 H1 A 0.417000 1.0079 - 11433 SYS 3811 TIP3 H2 A 0.417000 1.0079 - 11434 SYS 3812 TIP3 O1 C -0.834000 15.9994 - 11435 SYS 3812 TIP3 H1 A 0.417000 1.0079 - 11436 SYS 3812 TIP3 H2 A 0.417000 1.0079 - 11437 SYS 3813 TIP3 O1 C -0.834000 15.9994 - 11438 SYS 3813 TIP3 H1 A 0.417000 1.0079 - 11439 SYS 3813 TIP3 H2 A 0.417000 1.0079 - 11440 SYS 3814 TIP3 O1 C -0.834000 15.9994 - 11441 SYS 3814 TIP3 H1 A 0.417000 1.0079 - 11442 SYS 3814 TIP3 H2 A 0.417000 1.0079 - 11443 SYS 3815 TIP3 O1 C -0.834000 15.9994 - 11444 SYS 3815 TIP3 H1 A 0.417000 1.0079 - 11445 SYS 3815 TIP3 H2 A 0.417000 1.0079 - 11446 SYS 3816 TIP3 O1 C -0.834000 15.9994 - 11447 SYS 3816 TIP3 H1 A 0.417000 1.0079 - 11448 SYS 3816 TIP3 H2 A 0.417000 1.0079 - 11449 SYS 3817 TIP3 O1 C -0.834000 15.9994 - 11450 SYS 3817 TIP3 H1 A 0.417000 1.0079 - 11451 SYS 3817 TIP3 H2 A 0.417000 1.0079 - 11452 SYS 3818 TIP3 O1 C -0.834000 15.9994 - 11453 SYS 3818 TIP3 H1 A 0.417000 1.0079 - 11454 SYS 3818 TIP3 H2 A 0.417000 1.0079 - 11455 SYS 3819 TIP3 O1 C -0.834000 15.9994 - 11456 SYS 3819 TIP3 H1 A 0.417000 1.0079 - 11457 SYS 3819 TIP3 H2 A 0.417000 1.0079 - 11458 SYS 3820 TIP3 O1 C -0.834000 15.9994 - 11459 SYS 3820 TIP3 H1 A 0.417000 1.0079 - 11460 SYS 3820 TIP3 H2 A 0.417000 1.0079 - 11461 SYS 3821 TIP3 O1 C -0.834000 15.9994 - 11462 SYS 3821 TIP3 H1 A 0.417000 1.0079 - 11463 SYS 3821 TIP3 H2 A 0.417000 1.0079 - 11464 SYS 3822 TIP3 O1 C -0.834000 15.9994 - 11465 SYS 3822 TIP3 H1 A 0.417000 1.0079 - 11466 SYS 3822 TIP3 H2 A 0.417000 1.0079 - 11467 SYS 3823 TIP3 O1 C -0.834000 15.9994 - 11468 SYS 3823 TIP3 H1 A 0.417000 1.0079 - 11469 SYS 3823 TIP3 H2 A 0.417000 1.0079 - 11470 SYS 3824 TIP3 O1 C -0.834000 15.9994 - 11471 SYS 3824 TIP3 H1 A 0.417000 1.0079 - 11472 SYS 3824 TIP3 H2 A 0.417000 1.0079 - 11473 SYS 3825 TIP3 O1 C -0.834000 15.9994 - 11474 SYS 3825 TIP3 H1 A 0.417000 1.0079 - 11475 SYS 3825 TIP3 H2 A 0.417000 1.0079 - 11476 SYS 3826 TIP3 O1 C -0.834000 15.9994 - 11477 SYS 3826 TIP3 H1 A 0.417000 1.0079 - 11478 SYS 3826 TIP3 H2 A 0.417000 1.0079 - 11479 SYS 3827 TIP3 O1 C -0.834000 15.9994 - 11480 SYS 3827 TIP3 H1 A 0.417000 1.0079 - 11481 SYS 3827 TIP3 H2 A 0.417000 1.0079 - 11482 SYS 3828 TIP3 O1 C -0.834000 15.9994 - 11483 SYS 3828 TIP3 H1 A 0.417000 1.0079 - 11484 SYS 3828 TIP3 H2 A 0.417000 1.0079 - 11485 SYS 3829 TIP3 O1 C -0.834000 15.9994 - 11486 SYS 3829 TIP3 H1 A 0.417000 1.0079 - 11487 SYS 3829 TIP3 H2 A 0.417000 1.0079 - 11488 SYS 3830 TIP3 O1 C -0.834000 15.9994 - 11489 SYS 3830 TIP3 H1 A 0.417000 1.0079 - 11490 SYS 3830 TIP3 H2 A 0.417000 1.0079 - 11491 SYS 3831 TIP3 O1 C -0.834000 15.9994 - 11492 SYS 3831 TIP3 H1 A 0.417000 1.0079 - 11493 SYS 3831 TIP3 H2 A 0.417000 1.0079 - 11494 SYS 3832 TIP3 O1 C -0.834000 15.9994 - 11495 SYS 3832 TIP3 H1 A 0.417000 1.0079 - 11496 SYS 3832 TIP3 H2 A 0.417000 1.0079 - 11497 SYS 3833 TIP3 O1 C -0.834000 15.9994 - 11498 SYS 3833 TIP3 H1 A 0.417000 1.0079 - 11499 SYS 3833 TIP3 H2 A 0.417000 1.0079 - 11500 SYS 3834 TIP3 O1 C -0.834000 15.9994 - 11501 SYS 3834 TIP3 H1 A 0.417000 1.0079 - 11502 SYS 3834 TIP3 H2 A 0.417000 1.0079 - 11503 SYS 3835 TIP3 O1 C -0.834000 15.9994 - 11504 SYS 3835 TIP3 H1 A 0.417000 1.0079 - 11505 SYS 3835 TIP3 H2 A 0.417000 1.0079 - 11506 SYS 3836 TIP3 O1 C -0.834000 15.9994 - 11507 SYS 3836 TIP3 H1 A 0.417000 1.0079 - 11508 SYS 3836 TIP3 H2 A 0.417000 1.0079 - 11509 SYS 3837 TIP3 O1 C -0.834000 15.9994 - 11510 SYS 3837 TIP3 H1 A 0.417000 1.0079 - 11511 SYS 3837 TIP3 H2 A 0.417000 1.0079 - 11512 SYS 3838 TIP3 O1 C -0.834000 15.9994 - 11513 SYS 3838 TIP3 H1 A 0.417000 1.0079 - 11514 SYS 3838 TIP3 H2 A 0.417000 1.0079 - 11515 SYS 3839 TIP3 O1 C -0.834000 15.9994 - 11516 SYS 3839 TIP3 H1 A 0.417000 1.0079 - 11517 SYS 3839 TIP3 H2 A 0.417000 1.0079 - 11518 SYS 3840 TIP3 O1 C -0.834000 15.9994 - 11519 SYS 3840 TIP3 H1 A 0.417000 1.0079 - 11520 SYS 3840 TIP3 H2 A 0.417000 1.0079 - 11521 SYS 3841 TIP3 O1 C -0.834000 15.9994 - 11522 SYS 3841 TIP3 H1 A 0.417000 1.0079 - 11523 SYS 3841 TIP3 H2 A 0.417000 1.0079 - 11524 SYS 3842 TIP3 O1 C -0.834000 15.9994 - 11525 SYS 3842 TIP3 H1 A 0.417000 1.0079 - 11526 SYS 3842 TIP3 H2 A 0.417000 1.0079 - 11527 SYS 3843 TIP3 O1 C -0.834000 15.9994 - 11528 SYS 3843 TIP3 H1 A 0.417000 1.0079 - 11529 SYS 3843 TIP3 H2 A 0.417000 1.0079 - 11530 SYS 3844 TIP3 O1 C -0.834000 15.9994 - 11531 SYS 3844 TIP3 H1 A 0.417000 1.0079 - 11532 SYS 3844 TIP3 H2 A 0.417000 1.0079 - 11533 SYS 3845 TIP3 O1 C -0.834000 15.9994 - 11534 SYS 3845 TIP3 H1 A 0.417000 1.0079 - 11535 SYS 3845 TIP3 H2 A 0.417000 1.0079 - 11536 SYS 3846 TIP3 O1 C -0.834000 15.9994 - 11537 SYS 3846 TIP3 H1 A 0.417000 1.0079 - 11538 SYS 3846 TIP3 H2 A 0.417000 1.0079 - 11539 SYS 3847 TIP3 O1 C -0.834000 15.9994 - 11540 SYS 3847 TIP3 H1 A 0.417000 1.0079 - 11541 SYS 3847 TIP3 H2 A 0.417000 1.0079 - 11542 SYS 3848 TIP3 O1 C -0.834000 15.9994 - 11543 SYS 3848 TIP3 H1 A 0.417000 1.0079 - 11544 SYS 3848 TIP3 H2 A 0.417000 1.0079 - 11545 SYS 3849 TIP3 O1 C -0.834000 15.9994 - 11546 SYS 3849 TIP3 H1 A 0.417000 1.0079 - 11547 SYS 3849 TIP3 H2 A 0.417000 1.0079 - 11548 SYS 3850 TIP3 O1 C -0.834000 15.9994 - 11549 SYS 3850 TIP3 H1 A 0.417000 1.0079 - 11550 SYS 3850 TIP3 H2 A 0.417000 1.0079 - 11551 SYS 3851 TIP3 O1 C -0.834000 15.9994 - 11552 SYS 3851 TIP3 H1 A 0.417000 1.0079 - 11553 SYS 3851 TIP3 H2 A 0.417000 1.0079 - 11554 SYS 3852 TIP3 O1 C -0.834000 15.9994 - 11555 SYS 3852 TIP3 H1 A 0.417000 1.0079 - 11556 SYS 3852 TIP3 H2 A 0.417000 1.0079 - 11557 SYS 3853 TIP3 O1 C -0.834000 15.9994 - 11558 SYS 3853 TIP3 H1 A 0.417000 1.0079 - 11559 SYS 3853 TIP3 H2 A 0.417000 1.0079 - 11560 SYS 3854 TIP3 O1 C -0.834000 15.9994 - 11561 SYS 3854 TIP3 H1 A 0.417000 1.0079 - 11562 SYS 3854 TIP3 H2 A 0.417000 1.0079 - 11563 SYS 3855 TIP3 O1 C -0.834000 15.9994 - 11564 SYS 3855 TIP3 H1 A 0.417000 1.0079 - 11565 SYS 3855 TIP3 H2 A 0.417000 1.0079 - 11566 SYS 3856 TIP3 O1 C -0.834000 15.9994 - 11567 SYS 3856 TIP3 H1 A 0.417000 1.0079 - 11568 SYS 3856 TIP3 H2 A 0.417000 1.0079 - 11569 SYS 3857 TIP3 O1 C -0.834000 15.9994 - 11570 SYS 3857 TIP3 H1 A 0.417000 1.0079 - 11571 SYS 3857 TIP3 H2 A 0.417000 1.0079 - 11572 SYS 3858 TIP3 O1 C -0.834000 15.9994 - 11573 SYS 3858 TIP3 H1 A 0.417000 1.0079 - 11574 SYS 3858 TIP3 H2 A 0.417000 1.0079 - 11575 SYS 3859 TIP3 O1 C -0.834000 15.9994 - 11576 SYS 3859 TIP3 H1 A 0.417000 1.0079 - 11577 SYS 3859 TIP3 H2 A 0.417000 1.0079 - 11578 SYS 3860 TIP3 O1 C -0.834000 15.9994 - 11579 SYS 3860 TIP3 H1 A 0.417000 1.0079 - 11580 SYS 3860 TIP3 H2 A 0.417000 1.0079 - 11581 SYS 3861 TIP3 O1 C -0.834000 15.9994 - 11582 SYS 3861 TIP3 H1 A 0.417000 1.0079 - 11583 SYS 3861 TIP3 H2 A 0.417000 1.0079 - 11584 SYS 3862 TIP3 O1 C -0.834000 15.9994 - 11585 SYS 3862 TIP3 H1 A 0.417000 1.0079 - 11586 SYS 3862 TIP3 H2 A 0.417000 1.0079 - 11587 SYS 3863 TIP3 O1 C -0.834000 15.9994 - 11588 SYS 3863 TIP3 H1 A 0.417000 1.0079 - 11589 SYS 3863 TIP3 H2 A 0.417000 1.0079 - 11590 SYS 3864 TIP3 O1 C -0.834000 15.9994 - 11591 SYS 3864 TIP3 H1 A 0.417000 1.0079 - 11592 SYS 3864 TIP3 H2 A 0.417000 1.0079 - 11593 SYS 3865 TIP3 O1 C -0.834000 15.9994 - 11594 SYS 3865 TIP3 H1 A 0.417000 1.0079 - 11595 SYS 3865 TIP3 H2 A 0.417000 1.0079 - 11596 SYS 3866 TIP3 O1 C -0.834000 15.9994 - 11597 SYS 3866 TIP3 H1 A 0.417000 1.0079 - 11598 SYS 3866 TIP3 H2 A 0.417000 1.0079 - 11599 SYS 3867 TIP3 O1 C -0.834000 15.9994 - 11600 SYS 3867 TIP3 H1 A 0.417000 1.0079 - 11601 SYS 3867 TIP3 H2 A 0.417000 1.0079 - 11602 SYS 3868 TIP3 O1 C -0.834000 15.9994 - 11603 SYS 3868 TIP3 H1 A 0.417000 1.0079 - 11604 SYS 3868 TIP3 H2 A 0.417000 1.0079 - 11605 SYS 3869 TIP3 O1 C -0.834000 15.9994 - 11606 SYS 3869 TIP3 H1 A 0.417000 1.0079 - 11607 SYS 3869 TIP3 H2 A 0.417000 1.0079 - 11608 SYS 3870 TIP3 O1 C -0.834000 15.9994 - 11609 SYS 3870 TIP3 H1 A 0.417000 1.0079 - 11610 SYS 3870 TIP3 H2 A 0.417000 1.0079 - 11611 SYS 3871 TIP3 O1 C -0.834000 15.9994 - 11612 SYS 3871 TIP3 H1 A 0.417000 1.0079 - 11613 SYS 3871 TIP3 H2 A 0.417000 1.0079 - 11614 SYS 3872 TIP3 O1 C -0.834000 15.9994 - 11615 SYS 3872 TIP3 H1 A 0.417000 1.0079 - 11616 SYS 3872 TIP3 H2 A 0.417000 1.0079 - 11617 SYS 3873 TIP3 O1 C -0.834000 15.9994 - 11618 SYS 3873 TIP3 H1 A 0.417000 1.0079 - 11619 SYS 3873 TIP3 H2 A 0.417000 1.0079 - 11620 SYS 3874 TIP3 O1 C -0.834000 15.9994 - 11621 SYS 3874 TIP3 H1 A 0.417000 1.0079 - 11622 SYS 3874 TIP3 H2 A 0.417000 1.0079 - 11623 SYS 3875 TIP3 O1 C -0.834000 15.9994 - 11624 SYS 3875 TIP3 H1 A 0.417000 1.0079 - 11625 SYS 3875 TIP3 H2 A 0.417000 1.0079 - 11626 SYS 3876 TIP3 O1 C -0.834000 15.9994 - 11627 SYS 3876 TIP3 H1 A 0.417000 1.0079 - 11628 SYS 3876 TIP3 H2 A 0.417000 1.0079 - 11629 SYS 3877 TIP3 O1 C -0.834000 15.9994 - 11630 SYS 3877 TIP3 H1 A 0.417000 1.0079 - 11631 SYS 3877 TIP3 H2 A 0.417000 1.0079 - 11632 SYS 3878 TIP3 O1 C -0.834000 15.9994 - 11633 SYS 3878 TIP3 H1 A 0.417000 1.0079 - 11634 SYS 3878 TIP3 H2 A 0.417000 1.0079 - 11635 SYS 3879 TIP3 O1 C -0.834000 15.9994 - 11636 SYS 3879 TIP3 H1 A 0.417000 1.0079 - 11637 SYS 3879 TIP3 H2 A 0.417000 1.0079 - 11638 SYS 3880 TIP3 O1 C -0.834000 15.9994 - 11639 SYS 3880 TIP3 H1 A 0.417000 1.0079 - 11640 SYS 3880 TIP3 H2 A 0.417000 1.0079 - 11641 SYS 3881 TIP3 O1 C -0.834000 15.9994 - 11642 SYS 3881 TIP3 H1 A 0.417000 1.0079 - 11643 SYS 3881 TIP3 H2 A 0.417000 1.0079 - 11644 SYS 3882 TIP3 O1 C -0.834000 15.9994 - 11645 SYS 3882 TIP3 H1 A 0.417000 1.0079 - 11646 SYS 3882 TIP3 H2 A 0.417000 1.0079 - 11647 SYS 3883 TIP3 O1 C -0.834000 15.9994 - 11648 SYS 3883 TIP3 H1 A 0.417000 1.0079 - 11649 SYS 3883 TIP3 H2 A 0.417000 1.0079 - 11650 SYS 3884 TIP3 O1 C -0.834000 15.9994 - 11651 SYS 3884 TIP3 H1 A 0.417000 1.0079 - 11652 SYS 3884 TIP3 H2 A 0.417000 1.0079 - 11653 SYS 3885 TIP3 O1 C -0.834000 15.9994 - 11654 SYS 3885 TIP3 H1 A 0.417000 1.0079 - 11655 SYS 3885 TIP3 H2 A 0.417000 1.0079 - 11656 SYS 3886 TIP3 O1 C -0.834000 15.9994 - 11657 SYS 3886 TIP3 H1 A 0.417000 1.0079 - 11658 SYS 3886 TIP3 H2 A 0.417000 1.0079 - 11659 SYS 3887 TIP3 O1 C -0.834000 15.9994 - 11660 SYS 3887 TIP3 H1 A 0.417000 1.0079 - 11661 SYS 3887 TIP3 H2 A 0.417000 1.0079 - 11662 SYS 3888 TIP3 O1 C -0.834000 15.9994 - 11663 SYS 3888 TIP3 H1 A 0.417000 1.0079 - 11664 SYS 3888 TIP3 H2 A 0.417000 1.0079 - 11665 SYS 3889 TIP3 O1 C -0.834000 15.9994 - 11666 SYS 3889 TIP3 H1 A 0.417000 1.0079 - 11667 SYS 3889 TIP3 H2 A 0.417000 1.0079 - 11668 SYS 3890 TIP3 O1 C -0.834000 15.9994 - 11669 SYS 3890 TIP3 H1 A 0.417000 1.0079 - 11670 SYS 3890 TIP3 H2 A 0.417000 1.0079 - 11671 SYS 3891 TIP3 O1 C -0.834000 15.9994 - 11672 SYS 3891 TIP3 H1 A 0.417000 1.0079 - 11673 SYS 3891 TIP3 H2 A 0.417000 1.0079 - 11674 SYS 3892 TIP3 O1 C -0.834000 15.9994 - 11675 SYS 3892 TIP3 H1 A 0.417000 1.0079 - 11676 SYS 3892 TIP3 H2 A 0.417000 1.0079 - 11677 SYS 3893 TIP3 O1 C -0.834000 15.9994 - 11678 SYS 3893 TIP3 H1 A 0.417000 1.0079 - 11679 SYS 3893 TIP3 H2 A 0.417000 1.0079 - 11680 SYS 3894 TIP3 O1 C -0.834000 15.9994 - 11681 SYS 3894 TIP3 H1 A 0.417000 1.0079 - 11682 SYS 3894 TIP3 H2 A 0.417000 1.0079 - 11683 SYS 3895 TIP3 O1 C -0.834000 15.9994 - 11684 SYS 3895 TIP3 H1 A 0.417000 1.0079 - 11685 SYS 3895 TIP3 H2 A 0.417000 1.0079 - 11686 SYS 3896 TIP3 O1 C -0.834000 15.9994 - 11687 SYS 3896 TIP3 H1 A 0.417000 1.0079 - 11688 SYS 3896 TIP3 H2 A 0.417000 1.0079 - 11689 SYS 3897 TIP3 O1 C -0.834000 15.9994 - 11690 SYS 3897 TIP3 H1 A 0.417000 1.0079 - 11691 SYS 3897 TIP3 H2 A 0.417000 1.0079 - 11692 SYS 3898 TIP3 O1 C -0.834000 15.9994 - 11693 SYS 3898 TIP3 H1 A 0.417000 1.0079 - 11694 SYS 3898 TIP3 H2 A 0.417000 1.0079 - 11695 SYS 3899 WAT O1 D -0.834000 15.9994 - 11696 SYS 3899 WAT H1 B 0.417000 1.0079 - 11697 SYS 3899 WAT H2 B 0.417000 1.0079 - 11698 SYS 3900 WAT O1 D -0.834000 15.9994 - 11699 SYS 3900 WAT H1 B 0.417000 1.0079 - 11700 SYS 3900 WAT H2 B 0.417000 1.0079 - 11701 SYS 3901 WAT O1 D -0.834000 15.9994 - 11702 SYS 3901 WAT H1 B 0.417000 1.0079 - 11703 SYS 3901 WAT H2 B 0.417000 1.0079 - 11704 SYS 3902 WAT O1 D -0.834000 15.9994 - 11705 SYS 3902 WAT H1 B 0.417000 1.0079 - 11706 SYS 3902 WAT H2 B 0.417000 1.0079 - 11707 SYS 3903 WAT O1 D -0.834000 15.9994 - 11708 SYS 3903 WAT H1 B 0.417000 1.0079 - 11709 SYS 3903 WAT H2 B 0.417000 1.0079 - 11710 SYS 3904 WAT O1 D -0.834000 15.9994 - 11711 SYS 3904 WAT H1 B 0.417000 1.0079 - 11712 SYS 3904 WAT H2 B 0.417000 1.0079 - 11713 SYS 3905 WAT O1 D -0.834000 15.9994 - 11714 SYS 3905 WAT H1 B 0.417000 1.0079 - 11715 SYS 3905 WAT H2 B 0.417000 1.0079 - 11716 SYS 3906 WAT O1 D -0.834000 15.9994 - 11717 SYS 3906 WAT H1 B 0.417000 1.0079 - 11718 SYS 3906 WAT H2 B 0.417000 1.0079 - 11719 SYS 3907 WAT O1 D -0.834000 15.9994 - 11720 SYS 3907 WAT H1 B 0.417000 1.0079 - 11721 SYS 3907 WAT H2 B 0.417000 1.0079 - 11722 SYS 3908 WAT O1 D -0.834000 15.9994 - 11723 SYS 3908 WAT H1 B 0.417000 1.0079 - 11724 SYS 3908 WAT H2 B 0.417000 1.0079 - 11725 SYS 3909 WAT O1 D -0.834000 15.9994 - 11726 SYS 3909 WAT H1 B 0.417000 1.0079 - 11727 SYS 3909 WAT H2 B 0.417000 1.0079 - 11728 SYS 3910 WAT O1 D -0.834000 15.9994 - 11729 SYS 3910 WAT H1 B 0.417000 1.0079 - 11730 SYS 3910 WAT H2 B 0.417000 1.0079 - 11731 SYS 3911 WAT O1 D -0.834000 15.9994 - 11732 SYS 3911 WAT H1 B 0.417000 1.0079 - 11733 SYS 3911 WAT H2 B 0.417000 1.0079 - 11734 SYS 3912 WAT O1 D -0.834000 15.9994 - 11735 SYS 3912 WAT H1 B 0.417000 1.0079 - 11736 SYS 3912 WAT H2 B 0.417000 1.0079 - 11737 SYS 3913 WAT O1 D -0.834000 15.9994 - 11738 SYS 3913 WAT H1 B 0.417000 1.0079 - 11739 SYS 3913 WAT H2 B 0.417000 1.0079 - 11740 SYS 3914 WAT O1 D -0.834000 15.9994 - 11741 SYS 3914 WAT H1 B 0.417000 1.0079 - 11742 SYS 3914 WAT H2 B 0.417000 1.0079 - 11743 SYS 3915 WAT O1 D -0.834000 15.9994 - 11744 SYS 3915 WAT H1 B 0.417000 1.0079 - 11745 SYS 3915 WAT H2 B 0.417000 1.0079 - 11746 SYS 3916 WAT O1 D -0.834000 15.9994 - 11747 SYS 3916 WAT H1 B 0.417000 1.0079 - 11748 SYS 3916 WAT H2 B 0.417000 1.0079 - 11749 SYS 3917 WAT O1 D -0.834000 15.9994 - 11750 SYS 3917 WAT H1 B 0.417000 1.0079 - 11751 SYS 3917 WAT H2 B 0.417000 1.0079 - 11752 SYS 3918 WAT O1 D -0.834000 15.9994 - 11753 SYS 3918 WAT H1 B 0.417000 1.0079 - 11754 SYS 3918 WAT H2 B 0.417000 1.0079 - 11755 SYS 3919 WAT O1 D -0.834000 15.9994 - 11756 SYS 3919 WAT H1 B 0.417000 1.0079 - 11757 SYS 3919 WAT H2 B 0.417000 1.0079 - 11758 SYS 3920 WAT O1 D -0.834000 15.9994 - 11759 SYS 3920 WAT H1 B 0.417000 1.0079 - 11760 SYS 3920 WAT H2 B 0.417000 1.0079 - 11761 SYS 3921 WAT O1 D -0.834000 15.9994 - 11762 SYS 3921 WAT H1 B 0.417000 1.0079 - 11763 SYS 3921 WAT H2 B 0.417000 1.0079 - 11764 SYS 3922 WAT O1 D -0.834000 15.9994 - 11765 SYS 3922 WAT H1 B 0.417000 1.0079 - 11766 SYS 3922 WAT H2 B 0.417000 1.0079 - 11767 SYS 3923 WAT O1 D -0.834000 15.9994 - 11768 SYS 3923 WAT H1 B 0.417000 1.0079 - 11769 SYS 3923 WAT H2 B 0.417000 1.0079 - 11770 SYS 3924 WAT O1 D -0.834000 15.9994 - 11771 SYS 3924 WAT H1 B 0.417000 1.0079 - 11772 SYS 3924 WAT H2 B 0.417000 1.0079 - 11773 SYS 3925 WAT O1 D -0.834000 15.9994 - 11774 SYS 3925 WAT H1 B 0.417000 1.0079 - 11775 SYS 3925 WAT H2 B 0.417000 1.0079 - 11776 SYS 3926 WAT O1 D -0.834000 15.9994 - 11777 SYS 3926 WAT H1 B 0.417000 1.0079 - 11778 SYS 3926 WAT H2 B 0.417000 1.0079 - 11779 SYS 3927 WAT O1 D -0.834000 15.9994 - 11780 SYS 3927 WAT H1 B 0.417000 1.0079 - 11781 SYS 3927 WAT H2 B 0.417000 1.0079 - 11782 SYS 3928 WAT O1 D -0.834000 15.9994 - 11783 SYS 3928 WAT H1 B 0.417000 1.0079 - 11784 SYS 3928 WAT H2 B 0.417000 1.0079 - 11785 SYS 3929 WAT O1 D -0.834000 15.9994 - 11786 SYS 3929 WAT H1 B 0.417000 1.0079 - 11787 SYS 3929 WAT H2 B 0.417000 1.0079 - 11788 SYS 3930 WAT O1 D -0.834000 15.9994 - 11789 SYS 3930 WAT H1 B 0.417000 1.0079 - 11790 SYS 3930 WAT H2 B 0.417000 1.0079 - 11791 SYS 3931 WAT O1 D -0.834000 15.9994 - 11792 SYS 3931 WAT H1 B 0.417000 1.0079 - 11793 SYS 3931 WAT H2 B 0.417000 1.0079 - 11794 SYS 3932 WAT O1 D -0.834000 15.9994 - 11795 SYS 3932 WAT H1 B 0.417000 1.0079 - 11796 SYS 3932 WAT H2 B 0.417000 1.0079 - 11797 SYS 3933 WAT O1 D -0.834000 15.9994 - 11798 SYS 3933 WAT H1 B 0.417000 1.0079 - 11799 SYS 3933 WAT H2 B 0.417000 1.0079 - 11800 SYS 3934 WAT O1 D -0.834000 15.9994 - 11801 SYS 3934 WAT H1 B 0.417000 1.0079 - 11802 SYS 3934 WAT H2 B 0.417000 1.0079 - 11803 SYS 3935 WAT O1 D -0.834000 15.9994 - 11804 SYS 3935 WAT H1 B 0.417000 1.0079 - 11805 SYS 3935 WAT H2 B 0.417000 1.0079 - 11806 SYS 3936 WAT O1 D -0.834000 15.9994 - 11807 SYS 3936 WAT H1 B 0.417000 1.0079 - 11808 SYS 3936 WAT H2 B 0.417000 1.0079 - 11809 SYS 3937 WAT O1 D -0.834000 15.9994 - 11810 SYS 3937 WAT H1 B 0.417000 1.0079 - 11811 SYS 3937 WAT H2 B 0.417000 1.0079 - 11812 SYS 3938 WAT O1 D -0.834000 15.9994 - 11813 SYS 3938 WAT H1 B 0.417000 1.0079 - 11814 SYS 3938 WAT H2 B 0.417000 1.0079 - 11815 SYS 3939 WAT O1 D -0.834000 15.9994 - 11816 SYS 3939 WAT H1 B 0.417000 1.0079 - 11817 SYS 3939 WAT H2 B 0.417000 1.0079 - 11818 SYS 3940 WAT O1 D -0.834000 15.9994 - 11819 SYS 3940 WAT H1 B 0.417000 1.0079 - 11820 SYS 3940 WAT H2 B 0.417000 1.0079 - 11821 SYS 3941 WAT O1 D -0.834000 15.9994 - 11822 SYS 3941 WAT H1 B 0.417000 1.0079 - 11823 SYS 3941 WAT H2 B 0.417000 1.0079 - 11824 SYS 3942 WAT O1 D -0.834000 15.9994 - 11825 SYS 3942 WAT H1 B 0.417000 1.0079 - 11826 SYS 3942 WAT H2 B 0.417000 1.0079 - 11827 SYS 3943 WAT O1 D -0.834000 15.9994 - 11828 SYS 3943 WAT H1 B 0.417000 1.0079 - 11829 SYS 3943 WAT H2 B 0.417000 1.0079 - 11830 SYS 3944 WAT O1 D -0.834000 15.9994 - 11831 SYS 3944 WAT H1 B 0.417000 1.0079 - 11832 SYS 3944 WAT H2 B 0.417000 1.0079 - 11833 SYS 3945 WAT O1 D -0.834000 15.9994 - 11834 SYS 3945 WAT H1 B 0.417000 1.0079 - 11835 SYS 3945 WAT H2 B 0.417000 1.0079 - 11836 SYS 3946 WAT O1 D -0.834000 15.9994 - 11837 SYS 3946 WAT H1 B 0.417000 1.0079 - 11838 SYS 3946 WAT H2 B 0.417000 1.0079 - 11839 SYS 3947 WAT O1 D -0.834000 15.9994 - 11840 SYS 3947 WAT H1 B 0.417000 1.0079 - 11841 SYS 3947 WAT H2 B 0.417000 1.0079 - 11842 SYS 3948 WAT O1 D -0.834000 15.9994 - 11843 SYS 3948 WAT H1 B 0.417000 1.0079 - 11844 SYS 3948 WAT H2 B 0.417000 1.0079 - 11845 SYS 3949 WAT O1 D -0.834000 15.9994 - 11846 SYS 3949 WAT H1 B 0.417000 1.0079 - 11847 SYS 3949 WAT H2 B 0.417000 1.0079 - 11848 SYS 3950 WAT O1 D -0.834000 15.9994 - 11849 SYS 3950 WAT H1 B 0.417000 1.0079 - 11850 SYS 3950 WAT H2 B 0.417000 1.0079 - 11851 SYS 3951 WAT O1 D -0.834000 15.9994 - 11852 SYS 3951 WAT H1 B 0.417000 1.0079 - 11853 SYS 3951 WAT H2 B 0.417000 1.0079 - 11854 SYS 3952 WAT O1 D -0.834000 15.9994 - 11855 SYS 3952 WAT H1 B 0.417000 1.0079 - 11856 SYS 3952 WAT H2 B 0.417000 1.0079 - 11857 SYS 3953 WAT O1 D -0.834000 15.9994 - 11858 SYS 3953 WAT H1 B 0.417000 1.0079 - 11859 SYS 3953 WAT H2 B 0.417000 1.0079 - 11860 SYS 3954 WAT O1 D -0.834000 15.9994 - 11861 SYS 3954 WAT H1 B 0.417000 1.0079 - 11862 SYS 3954 WAT H2 B 0.417000 1.0079 - 11863 SYS 3955 WAT O1 D -0.834000 15.9994 - 11864 SYS 3955 WAT H1 B 0.417000 1.0079 - 11865 SYS 3955 WAT H2 B 0.417000 1.0079 - 11866 SYS 3956 WAT O1 D -0.834000 15.9994 - 11867 SYS 3956 WAT H1 B 0.417000 1.0079 - 11868 SYS 3956 WAT H2 B 0.417000 1.0079 - 11869 SYS 3957 WAT O1 D -0.834000 15.9994 - 11870 SYS 3957 WAT H1 B 0.417000 1.0079 - 11871 SYS 3957 WAT H2 B 0.417000 1.0079 - 11872 SYS 3958 WAT O1 D -0.834000 15.9994 - 11873 SYS 3958 WAT H1 B 0.417000 1.0079 - 11874 SYS 3958 WAT H2 B 0.417000 1.0079 - 11875 SYS 3959 WAT O1 D -0.834000 15.9994 - 11876 SYS 3959 WAT H1 B 0.417000 1.0079 - 11877 SYS 3959 WAT H2 B 0.417000 1.0079 - 11878 SYS 3960 WAT O1 D -0.834000 15.9994 - 11879 SYS 3960 WAT H1 B 0.417000 1.0079 - 11880 SYS 3960 WAT H2 B 0.417000 1.0079 - 11881 SYS 3961 WAT O1 D -0.834000 15.9994 - 11882 SYS 3961 WAT H1 B 0.417000 1.0079 - 11883 SYS 3961 WAT H2 B 0.417000 1.0079 - 11884 SYS 3962 WAT O1 D -0.834000 15.9994 - 11885 SYS 3962 WAT H1 B 0.417000 1.0079 - 11886 SYS 3962 WAT H2 B 0.417000 1.0079 - 11887 SYS 3963 WAT O1 D -0.834000 15.9994 - 11888 SYS 3963 WAT H1 B 0.417000 1.0079 - 11889 SYS 3963 WAT H2 B 0.417000 1.0079 - 11890 SYS 3964 WAT O1 D -0.834000 15.9994 - 11891 SYS 3964 WAT H1 B 0.417000 1.0079 - 11892 SYS 3964 WAT H2 B 0.417000 1.0079 - 11893 SYS 3965 WAT O1 D -0.834000 15.9994 - 11894 SYS 3965 WAT H1 B 0.417000 1.0079 - 11895 SYS 3965 WAT H2 B 0.417000 1.0079 - 11896 SYS 3966 WAT O1 D -0.834000 15.9994 - 11897 SYS 3966 WAT H1 B 0.417000 1.0079 - 11898 SYS 3966 WAT H2 B 0.417000 1.0079 - 11899 SYS 3967 WAT O1 D -0.834000 15.9994 - 11900 SYS 3967 WAT H1 B 0.417000 1.0079 - 11901 SYS 3967 WAT H2 B 0.417000 1.0079 - 11902 SYS 3968 WAT O1 D -0.834000 15.9994 - 11903 SYS 3968 WAT H1 B 0.417000 1.0079 - 11904 SYS 3968 WAT H2 B 0.417000 1.0079 - 11905 SYS 3969 WAT O1 D -0.834000 15.9994 - 11906 SYS 3969 WAT H1 B 0.417000 1.0079 - 11907 SYS 3969 WAT H2 B 0.417000 1.0079 - 11908 SYS 3970 WAT O1 D -0.834000 15.9994 - 11909 SYS 3970 WAT H1 B 0.417000 1.0079 - 11910 SYS 3970 WAT H2 B 0.417000 1.0079 - 11911 SYS 3971 WAT O1 D -0.834000 15.9994 - 11912 SYS 3971 WAT H1 B 0.417000 1.0079 - 11913 SYS 3971 WAT H2 B 0.417000 1.0079 - 11914 SYS 3972 WAT O1 D -0.834000 15.9994 - 11915 SYS 3972 WAT H1 B 0.417000 1.0079 - 11916 SYS 3972 WAT H2 B 0.417000 1.0079 - 11917 SYS 3973 WAT O1 D -0.834000 15.9994 - 11918 SYS 3973 WAT H1 B 0.417000 1.0079 - 11919 SYS 3973 WAT H2 B 0.417000 1.0079 - 11920 SYS 3974 WAT O1 D -0.834000 15.9994 - 11921 SYS 3974 WAT H1 B 0.417000 1.0079 - 11922 SYS 3974 WAT H2 B 0.417000 1.0079 - 11923 SYS 3975 WAT O1 D -0.834000 15.9994 - 11924 SYS 3975 WAT H1 B 0.417000 1.0079 - 11925 SYS 3975 WAT H2 B 0.417000 1.0079 - 11926 SYS 3976 WAT O1 D -0.834000 15.9994 - 11927 SYS 3976 WAT H1 B 0.417000 1.0079 - 11928 SYS 3976 WAT H2 B 0.417000 1.0079 - 11929 SYS 3977 WAT O1 D -0.834000 15.9994 - 11930 SYS 3977 WAT H1 B 0.417000 1.0079 - 11931 SYS 3977 WAT H2 B 0.417000 1.0079 - 11932 SYS 3978 WAT O1 D -0.834000 15.9994 - 11933 SYS 3978 WAT H1 B 0.417000 1.0079 - 11934 SYS 3978 WAT H2 B 0.417000 1.0079 - 11935 SYS 3979 WAT O1 D -0.834000 15.9994 - 11936 SYS 3979 WAT H1 B 0.417000 1.0079 - 11937 SYS 3979 WAT H2 B 0.417000 1.0079 - 11938 SYS 3980 WAT O1 D -0.834000 15.9994 - 11939 SYS 3980 WAT H1 B 0.417000 1.0079 - 11940 SYS 3980 WAT H2 B 0.417000 1.0079 - 11941 SYS 3981 WAT O1 D -0.834000 15.9994 - 11942 SYS 3981 WAT H1 B 0.417000 1.0079 - 11943 SYS 3981 WAT H2 B 0.417000 1.0079 - 11944 SYS 3982 WAT O1 D -0.834000 15.9994 - 11945 SYS 3982 WAT H1 B 0.417000 1.0079 - 11946 SYS 3982 WAT H2 B 0.417000 1.0079 - 11947 SYS 3983 WAT O1 D -0.834000 15.9994 - 11948 SYS 3983 WAT H1 B 0.417000 1.0079 - 11949 SYS 3983 WAT H2 B 0.417000 1.0079 - 11950 SYS 3984 WAT O1 D -0.834000 15.9994 - 11951 SYS 3984 WAT H1 B 0.417000 1.0079 - 11952 SYS 3984 WAT H2 B 0.417000 1.0079 - 11953 SYS 3985 WAT O1 D -0.834000 15.9994 - 11954 SYS 3985 WAT H1 B 0.417000 1.0079 - 11955 SYS 3985 WAT H2 B 0.417000 1.0079 - 11956 SYS 3986 WAT O1 D -0.834000 15.9994 - 11957 SYS 3986 WAT H1 B 0.417000 1.0079 - 11958 SYS 3986 WAT H2 B 0.417000 1.0079 - 11959 SYS 3987 WAT O1 D -0.834000 15.9994 - 11960 SYS 3987 WAT H1 B 0.417000 1.0079 - 11961 SYS 3987 WAT H2 B 0.417000 1.0079 - 11962 SYS 3988 WAT O1 D -0.834000 15.9994 - 11963 SYS 3988 WAT H1 B 0.417000 1.0079 - 11964 SYS 3988 WAT H2 B 0.417000 1.0079 - 11965 SYS 3989 WAT O1 D -0.834000 15.9994 - 11966 SYS 3989 WAT H1 B 0.417000 1.0079 - 11967 SYS 3989 WAT H2 B 0.417000 1.0079 - 11968 SYS 3990 WAT O1 D -0.834000 15.9994 - 11969 SYS 3990 WAT H1 B 0.417000 1.0079 - 11970 SYS 3990 WAT H2 B 0.417000 1.0079 - 11971 SYS 3991 WAT O1 D -0.834000 15.9994 - 11972 SYS 3991 WAT H1 B 0.417000 1.0079 - 11973 SYS 3991 WAT H2 B 0.417000 1.0079 - 11974 SYS 3992 WAT O1 D -0.834000 15.9994 - 11975 SYS 3992 WAT H1 B 0.417000 1.0079 - 11976 SYS 3992 WAT H2 B 0.417000 1.0079 - 11977 SYS 3993 WAT O1 D -0.834000 15.9994 - 11978 SYS 3993 WAT H1 B 0.417000 1.0079 - 11979 SYS 3993 WAT H2 B 0.417000 1.0079 - 11980 SYS 3994 WAT O1 D -0.834000 15.9994 - 11981 SYS 3994 WAT H1 B 0.417000 1.0079 - 11982 SYS 3994 WAT H2 B 0.417000 1.0079 - 11983 SYS 3995 WAT O1 D -0.834000 15.9994 - 11984 SYS 3995 WAT H1 B 0.417000 1.0079 - 11985 SYS 3995 WAT H2 B 0.417000 1.0079 - 11986 SYS 3996 WAT O1 D -0.834000 15.9994 - 11987 SYS 3996 WAT H1 B 0.417000 1.0079 - 11988 SYS 3996 WAT H2 B 0.417000 1.0079 - 11989 SYS 3997 WAT O1 D -0.834000 15.9994 - 11990 SYS 3997 WAT H1 B 0.417000 1.0079 - 11991 SYS 3997 WAT H2 B 0.417000 1.0079 - 11992 SYS 3998 WAT O1 D -0.834000 15.9994 - 11993 SYS 3998 WAT H1 B 0.417000 1.0079 - 11994 SYS 3998 WAT H2 B 0.417000 1.0079 - 11995 SYS 3999 WAT O1 D -0.834000 15.9994 - 11996 SYS 3999 WAT H1 B 0.417000 1.0079 - 11997 SYS 3999 WAT H2 B 0.417000 1.0079 - 11998 SYS 4000 WAT O1 D -0.834000 15.9994 - 11999 SYS 4000 WAT H1 B 0.417000 1.0079 - 12000 SYS 4000 WAT H2 B 0.417000 1.0079 - 12001 SYS 4001 WAT O1 D -0.834000 15.9994 - 12002 SYS 4001 WAT H1 B 0.417000 1.0079 - 12003 SYS 4001 WAT H2 B 0.417000 1.0079 - 12004 SYS 4002 WAT O1 D -0.834000 15.9994 - 12005 SYS 4002 WAT H1 B 0.417000 1.0079 - 12006 SYS 4002 WAT H2 B 0.417000 1.0079 - 12007 SYS 4003 WAT O1 D -0.834000 15.9994 - 12008 SYS 4003 WAT H1 B 0.417000 1.0079 - 12009 SYS 4003 WAT H2 B 0.417000 1.0079 - 12010 SYS 4004 WAT O1 D -0.834000 15.9994 - 12011 SYS 4004 WAT H1 B 0.417000 1.0079 - 12012 SYS 4004 WAT H2 B 0.417000 1.0079 - 12013 SYS 4005 WAT O1 D -0.834000 15.9994 - 12014 SYS 4005 WAT H1 B 0.417000 1.0079 - 12015 SYS 4005 WAT H2 B 0.417000 1.0079 - 12016 SYS 4006 WAT O1 D -0.834000 15.9994 - 12017 SYS 4006 WAT H1 B 0.417000 1.0079 - 12018 SYS 4006 WAT H2 B 0.417000 1.0079 - 12019 SYS 4007 WAT O1 D -0.834000 15.9994 - 12020 SYS 4007 WAT H1 B 0.417000 1.0079 - 12021 SYS 4007 WAT H2 B 0.417000 1.0079 - 12022 SYS 4008 WAT O1 D -0.834000 15.9994 - 12023 SYS 4008 WAT H1 B 0.417000 1.0079 - 12024 SYS 4008 WAT H2 B 0.417000 1.0079 - 12025 SYS 4009 WAT O1 D -0.834000 15.9994 - 12026 SYS 4009 WAT H1 B 0.417000 1.0079 - 12027 SYS 4009 WAT H2 B 0.417000 1.0079 - 12028 SYS 4010 WAT O1 D -0.834000 15.9994 - 12029 SYS 4010 WAT H1 B 0.417000 1.0079 - 12030 SYS 4010 WAT H2 B 0.417000 1.0079 - 12031 SYS 4011 WAT O1 D -0.834000 15.9994 - 12032 SYS 4011 WAT H1 B 0.417000 1.0079 - 12033 SYS 4011 WAT H2 B 0.417000 1.0079 - 12034 SYS 4012 WAT O1 D -0.834000 15.9994 - 12035 SYS 4012 WAT H1 B 0.417000 1.0079 - 12036 SYS 4012 WAT H2 B 0.417000 1.0079 - 12037 SYS 4013 WAT O1 D -0.834000 15.9994 - 12038 SYS 4013 WAT H1 B 0.417000 1.0079 - 12039 SYS 4013 WAT H2 B 0.417000 1.0079 - 12040 SYS 4014 WAT O1 D -0.834000 15.9994 - 12041 SYS 4014 WAT H1 B 0.417000 1.0079 - 12042 SYS 4014 WAT H2 B 0.417000 1.0079 - 12043 SYS 4015 WAT O1 D -0.834000 15.9994 - 12044 SYS 4015 WAT H1 B 0.417000 1.0079 - 12045 SYS 4015 WAT H2 B 0.417000 1.0079 - 12046 SYS 4016 WAT O1 D -0.834000 15.9994 - 12047 SYS 4016 WAT H1 B 0.417000 1.0079 - 12048 SYS 4016 WAT H2 B 0.417000 1.0079 - 12049 SYS 4017 WAT O1 D -0.834000 15.9994 - 12050 SYS 4017 WAT H1 B 0.417000 1.0079 - 12051 SYS 4017 WAT H2 B 0.417000 1.0079 - 12052 SYS 4018 WAT O1 D -0.834000 15.9994 - 12053 SYS 4018 WAT H1 B 0.417000 1.0079 - 12054 SYS 4018 WAT H2 B 0.417000 1.0079 - 12055 SYS 4019 WAT O1 D -0.834000 15.9994 - 12056 SYS 4019 WAT H1 B 0.417000 1.0079 - 12057 SYS 4019 WAT H2 B 0.417000 1.0079 - 12058 SYS 4020 WAT O1 D -0.834000 15.9994 - 12059 SYS 4020 WAT H1 B 0.417000 1.0079 - 12060 SYS 4020 WAT H2 B 0.417000 1.0079 - 12061 SYS 4021 WAT O1 D -0.834000 15.9994 - 12062 SYS 4021 WAT H1 B 0.417000 1.0079 - 12063 SYS 4021 WAT H2 B 0.417000 1.0079 - 12064 SYS 4022 WAT O1 D -0.834000 15.9994 - 12065 SYS 4022 WAT H1 B 0.417000 1.0079 - 12066 SYS 4022 WAT H2 B 0.417000 1.0079 - 12067 SYS 4023 WAT O1 D -0.834000 15.9994 - 12068 SYS 4023 WAT H1 B 0.417000 1.0079 - 12069 SYS 4023 WAT H2 B 0.417000 1.0079 - 12070 SYS 4024 WAT O1 D -0.834000 15.9994 - 12071 SYS 4024 WAT H1 B 0.417000 1.0079 - 12072 SYS 4024 WAT H2 B 0.417000 1.0079 - 12073 SYS 4025 WAT O1 D -0.834000 15.9994 - 12074 SYS 4025 WAT H1 B 0.417000 1.0079 - 12075 SYS 4025 WAT H2 B 0.417000 1.0079 - 12076 SYS 4026 WAT O1 D -0.834000 15.9994 - 12077 SYS 4026 WAT H1 B 0.417000 1.0079 - 12078 SYS 4026 WAT H2 B 0.417000 1.0079 - 12079 SYS 4027 WAT O1 D -0.834000 15.9994 - 12080 SYS 4027 WAT H1 B 0.417000 1.0079 - 12081 SYS 4027 WAT H2 B 0.417000 1.0079 - 12082 SYS 4028 WAT O1 D -0.834000 15.9994 - 12083 SYS 4028 WAT H1 B 0.417000 1.0079 - 12084 SYS 4028 WAT H2 B 0.417000 1.0079 - 12085 SYS 4029 WAT O1 D -0.834000 15.9994 - 12086 SYS 4029 WAT H1 B 0.417000 1.0079 - 12087 SYS 4029 WAT H2 B 0.417000 1.0079 - 12088 SYS 4030 WAT O1 D -0.834000 15.9994 - 12089 SYS 4030 WAT H1 B 0.417000 1.0079 - 12090 SYS 4030 WAT H2 B 0.417000 1.0079 - 12091 SYS 4031 WAT O1 D -0.834000 15.9994 - 12092 SYS 4031 WAT H1 B 0.417000 1.0079 - 12093 SYS 4031 WAT H2 B 0.417000 1.0079 - 12094 SYS 4032 WAT O1 D -0.834000 15.9994 - 12095 SYS 4032 WAT H1 B 0.417000 1.0079 - 12096 SYS 4032 WAT H2 B 0.417000 1.0079 - 12097 SYS 4033 WAT O1 D -0.834000 15.9994 - 12098 SYS 4033 WAT H1 B 0.417000 1.0079 - 12099 SYS 4033 WAT H2 B 0.417000 1.0079 - 12100 SYS 4034 WAT O1 D -0.834000 15.9994 - 12101 SYS 4034 WAT H1 B 0.417000 1.0079 - 12102 SYS 4034 WAT H2 B 0.417000 1.0079 - 12103 SYS 4035 WAT O1 D -0.834000 15.9994 - 12104 SYS 4035 WAT H1 B 0.417000 1.0079 - 12105 SYS 4035 WAT H2 B 0.417000 1.0079 - 12106 SYS 4036 WAT O1 D -0.834000 15.9994 - 12107 SYS 4036 WAT H1 B 0.417000 1.0079 - 12108 SYS 4036 WAT H2 B 0.417000 1.0079 - 12109 SYS 4037 WAT O1 D -0.834000 15.9994 - 12110 SYS 4037 WAT H1 B 0.417000 1.0079 - 12111 SYS 4037 WAT H2 B 0.417000 1.0079 - 12112 SYS 4038 WAT O1 D -0.834000 15.9994 - 12113 SYS 4038 WAT H1 B 0.417000 1.0079 - 12114 SYS 4038 WAT H2 B 0.417000 1.0079 - 12115 SYS 4039 WAT O1 D -0.834000 15.9994 - 12116 SYS 4039 WAT H1 B 0.417000 1.0079 - 12117 SYS 4039 WAT H2 B 0.417000 1.0079 - 12118 SYS 4040 WAT O1 D -0.834000 15.9994 - 12119 SYS 4040 WAT H1 B 0.417000 1.0079 - 12120 SYS 4040 WAT H2 B 0.417000 1.0079 - 12121 SYS 4041 WAT O1 D -0.834000 15.9994 - 12122 SYS 4041 WAT H1 B 0.417000 1.0079 - 12123 SYS 4041 WAT H2 B 0.417000 1.0079 - 12124 SYS 4042 WAT O1 D -0.834000 15.9994 - 12125 SYS 4042 WAT H1 B 0.417000 1.0079 - 12126 SYS 4042 WAT H2 B 0.417000 1.0079 - 12127 SYS 4043 WAT O1 D -0.834000 15.9994 - 12128 SYS 4043 WAT H1 B 0.417000 1.0079 - 12129 SYS 4043 WAT H2 B 0.417000 1.0079 - 12130 SYS 4044 WAT O1 D -0.834000 15.9994 - 12131 SYS 4044 WAT H1 B 0.417000 1.0079 - 12132 SYS 4044 WAT H2 B 0.417000 1.0079 - 12133 SYS 4045 WAT O1 D -0.834000 15.9994 - 12134 SYS 4045 WAT H1 B 0.417000 1.0079 - 12135 SYS 4045 WAT H2 B 0.417000 1.0079 - 12136 SYS 4046 WAT O1 D -0.834000 15.9994 - 12137 SYS 4046 WAT H1 B 0.417000 1.0079 - 12138 SYS 4046 WAT H2 B 0.417000 1.0079 - 12139 SYS 4047 WAT O1 D -0.834000 15.9994 - 12140 SYS 4047 WAT H1 B 0.417000 1.0079 - 12141 SYS 4047 WAT H2 B 0.417000 1.0079 - 12142 SYS 4048 WAT O1 D -0.834000 15.9994 - 12143 SYS 4048 WAT H1 B 0.417000 1.0079 - 12144 SYS 4048 WAT H2 B 0.417000 1.0079 - 12145 SYS 4049 WAT O1 D -0.834000 15.9994 - 12146 SYS 4049 WAT H1 B 0.417000 1.0079 - 12147 SYS 4049 WAT H2 B 0.417000 1.0079 - 12148 SYS 4050 WAT O1 D -0.834000 15.9994 - 12149 SYS 4050 WAT H1 B 0.417000 1.0079 - 12150 SYS 4050 WAT H2 B 0.417000 1.0079 - 12151 SYS 4051 WAT O1 D -0.834000 15.9994 - 12152 SYS 4051 WAT H1 B 0.417000 1.0079 - 12153 SYS 4051 WAT H2 B 0.417000 1.0079 - 12154 SYS 4052 WAT O1 D -0.834000 15.9994 - 12155 SYS 4052 WAT H1 B 0.417000 1.0079 - 12156 SYS 4052 WAT H2 B 0.417000 1.0079 - 12157 SYS 4053 WAT O1 D -0.834000 15.9994 - 12158 SYS 4053 WAT H1 B 0.417000 1.0079 - 12159 SYS 4053 WAT H2 B 0.417000 1.0079 - 12160 SYS 4054 WAT O1 D -0.834000 15.9994 - 12161 SYS 4054 WAT H1 B 0.417000 1.0079 - 12162 SYS 4054 WAT H2 B 0.417000 1.0079 - 12163 SYS 4055 WAT O1 D -0.834000 15.9994 - 12164 SYS 4055 WAT H1 B 0.417000 1.0079 - 12165 SYS 4055 WAT H2 B 0.417000 1.0079 - 12166 SYS 4056 WAT O1 D -0.834000 15.9994 - 12167 SYS 4056 WAT H1 B 0.417000 1.0079 - 12168 SYS 4056 WAT H2 B 0.417000 1.0079 - 12169 SYS 4057 WAT O1 D -0.834000 15.9994 - 12170 SYS 4057 WAT H1 B 0.417000 1.0079 - 12171 SYS 4057 WAT H2 B 0.417000 1.0079 - 12172 SYS 4058 WAT O1 D -0.834000 15.9994 - 12173 SYS 4058 WAT H1 B 0.417000 1.0079 - 12174 SYS 4058 WAT H2 B 0.417000 1.0079 - 12175 SYS 4059 WAT O1 D -0.834000 15.9994 - 12176 SYS 4059 WAT H1 B 0.417000 1.0079 - 12177 SYS 4059 WAT H2 B 0.417000 1.0079 - 12178 SYS 4060 WAT O1 D -0.834000 15.9994 - 12179 SYS 4060 WAT H1 B 0.417000 1.0079 - 12180 SYS 4060 WAT H2 B 0.417000 1.0079 - 12181 SYS 4061 WAT O1 D -0.834000 15.9994 - 12182 SYS 4061 WAT H1 B 0.417000 1.0079 - 12183 SYS 4061 WAT H2 B 0.417000 1.0079 - 12184 SYS 4062 WAT O1 D -0.834000 15.9994 - 12185 SYS 4062 WAT H1 B 0.417000 1.0079 - 12186 SYS 4062 WAT H2 B 0.417000 1.0079 - 12187 SYS 4063 WAT O1 D -0.834000 15.9994 - 12188 SYS 4063 WAT H1 B 0.417000 1.0079 - 12189 SYS 4063 WAT H2 B 0.417000 1.0079 - 12190 SYS 4064 WAT O1 D -0.834000 15.9994 - 12191 SYS 4064 WAT H1 B 0.417000 1.0079 - 12192 SYS 4064 WAT H2 B 0.417000 1.0079 - 12193 SYS 4065 WAT O1 D -0.834000 15.9994 - 12194 SYS 4065 WAT H1 B 0.417000 1.0079 - 12195 SYS 4065 WAT H2 B 0.417000 1.0079 - 12196 SYS 4066 WAT O1 D -0.834000 15.9994 - 12197 SYS 4066 WAT H1 B 0.417000 1.0079 - 12198 SYS 4066 WAT H2 B 0.417000 1.0079 - 12199 SYS 4067 WAT O1 D -0.834000 15.9994 - 12200 SYS 4067 WAT H1 B 0.417000 1.0079 - 12201 SYS 4067 WAT H2 B 0.417000 1.0079 - 12202 SYS 4068 WAT O1 D -0.834000 15.9994 - 12203 SYS 4068 WAT H1 B 0.417000 1.0079 - 12204 SYS 4068 WAT H2 B 0.417000 1.0079 - 12205 SYS 4069 WAT O1 D -0.834000 15.9994 - 12206 SYS 4069 WAT H1 B 0.417000 1.0079 - 12207 SYS 4069 WAT H2 B 0.417000 1.0079 - 12208 SYS 4070 WAT O1 D -0.834000 15.9994 - 12209 SYS 4070 WAT H1 B 0.417000 1.0079 - 12210 SYS 4070 WAT H2 B 0.417000 1.0079 - 12211 SYS 4071 WAT O1 D -0.834000 15.9994 - 12212 SYS 4071 WAT H1 B 0.417000 1.0079 - 12213 SYS 4071 WAT H2 B 0.417000 1.0079 - 12214 SYS 4072 WAT O1 D -0.834000 15.9994 - 12215 SYS 4072 WAT H1 B 0.417000 1.0079 - 12216 SYS 4072 WAT H2 B 0.417000 1.0079 - 12217 SYS 4073 WAT O1 D -0.834000 15.9994 - 12218 SYS 4073 WAT H1 B 0.417000 1.0079 - 12219 SYS 4073 WAT H2 B 0.417000 1.0079 - 12220 SYS 4074 WAT O1 D -0.834000 15.9994 - 12221 SYS 4074 WAT H1 B 0.417000 1.0079 - 12222 SYS 4074 WAT H2 B 0.417000 1.0079 - 12223 SYS 4075 WAT O1 D -0.834000 15.9994 - 12224 SYS 4075 WAT H1 B 0.417000 1.0079 - 12225 SYS 4075 WAT H2 B 0.417000 1.0079 - 12226 SYS 4076 WAT O1 D -0.834000 15.9994 - 12227 SYS 4076 WAT H1 B 0.417000 1.0079 - 12228 SYS 4076 WAT H2 B 0.417000 1.0079 - 12229 SYS 4077 WAT O1 D -0.834000 15.9994 - 12230 SYS 4077 WAT H1 B 0.417000 1.0079 - 12231 SYS 4077 WAT H2 B 0.417000 1.0079 - 12232 SYS 4078 WAT O1 D -0.834000 15.9994 - 12233 SYS 4078 WAT H1 B 0.417000 1.0079 - 12234 SYS 4078 WAT H2 B 0.417000 1.0079 - 12235 SYS 4079 WAT O1 D -0.834000 15.9994 - 12236 SYS 4079 WAT H1 B 0.417000 1.0079 - 12237 SYS 4079 WAT H2 B 0.417000 1.0079 - 12238 SYS 4080 WAT O1 D -0.834000 15.9994 - 12239 SYS 4080 WAT H1 B 0.417000 1.0079 - 12240 SYS 4080 WAT H2 B 0.417000 1.0079 - 12241 SYS 4081 WAT O1 D -0.834000 15.9994 - 12242 SYS 4081 WAT H1 B 0.417000 1.0079 - 12243 SYS 4081 WAT H2 B 0.417000 1.0079 - 12244 SYS 4082 WAT O1 D -0.834000 15.9994 - 12245 SYS 4082 WAT H1 B 0.417000 1.0079 - 12246 SYS 4082 WAT H2 B 0.417000 1.0079 - 12247 SYS 4083 WAT O1 D -0.834000 15.9994 - 12248 SYS 4083 WAT H1 B 0.417000 1.0079 - 12249 SYS 4083 WAT H2 B 0.417000 1.0079 - 12250 SYS 4084 WAT O1 D -0.834000 15.9994 - 12251 SYS 4084 WAT H1 B 0.417000 1.0079 - 12252 SYS 4084 WAT H2 B 0.417000 1.0079 - 12253 SYS 4085 WAT O1 D -0.834000 15.9994 - 12254 SYS 4085 WAT H1 B 0.417000 1.0079 - 12255 SYS 4085 WAT H2 B 0.417000 1.0079 - 12256 SYS 4086 WAT O1 D -0.834000 15.9994 - 12257 SYS 4086 WAT H1 B 0.417000 1.0079 - 12258 SYS 4086 WAT H2 B 0.417000 1.0079 - 12259 SYS 4087 WAT O1 D -0.834000 15.9994 - 12260 SYS 4087 WAT H1 B 0.417000 1.0079 - 12261 SYS 4087 WAT H2 B 0.417000 1.0079 - 12262 SYS 4088 WAT O1 D -0.834000 15.9994 - 12263 SYS 4088 WAT H1 B 0.417000 1.0079 - 12264 SYS 4088 WAT H2 B 0.417000 1.0079 - 12265 SYS 4089 WAT O1 D -0.834000 15.9994 - 12266 SYS 4089 WAT H1 B 0.417000 1.0079 - 12267 SYS 4089 WAT H2 B 0.417000 1.0079 - 12268 SYS 4090 WAT O1 D -0.834000 15.9994 - 12269 SYS 4090 WAT H1 B 0.417000 1.0079 - 12270 SYS 4090 WAT H2 B 0.417000 1.0079 - 12271 SYS 4091 WAT O1 D -0.834000 15.9994 - 12272 SYS 4091 WAT H1 B 0.417000 1.0079 - 12273 SYS 4091 WAT H2 B 0.417000 1.0079 - 12274 SYS 4092 WAT O1 D -0.834000 15.9994 - 12275 SYS 4092 WAT H1 B 0.417000 1.0079 - 12276 SYS 4092 WAT H2 B 0.417000 1.0079 - 12277 SYS 4093 WAT O1 D -0.834000 15.9994 - 12278 SYS 4093 WAT H1 B 0.417000 1.0079 - 12279 SYS 4093 WAT H2 B 0.417000 1.0079 - 12280 SYS 4094 WAT O1 D -0.834000 15.9994 - 12281 SYS 4094 WAT H1 B 0.417000 1.0079 - 12282 SYS 4094 WAT H2 B 0.417000 1.0079 - 12283 SYS 4095 WAT O1 D -0.834000 15.9994 - 12284 SYS 4095 WAT H1 B 0.417000 1.0079 - 12285 SYS 4095 WAT H2 B 0.417000 1.0079 - 12286 SYS 4096 WAT O1 D -0.834000 15.9994 - 12287 SYS 4096 WAT H1 B 0.417000 1.0079 - 12288 SYS 4096 WAT H2 B 0.417000 1.0079 - 12289 SYS 4097 WAT O1 D -0.834000 15.9994 - 12290 SYS 4097 WAT H1 B 0.417000 1.0079 - 12291 SYS 4097 WAT H2 B 0.417000 1.0079 - 12292 SYS 4098 WAT O1 D -0.834000 15.9994 - 12293 SYS 4098 WAT H1 B 0.417000 1.0079 - 12294 SYS 4098 WAT H2 B 0.417000 1.0079 - 12295 SYS 4099 WAT O1 D -0.834000 15.9994 - 12296 SYS 4099 WAT H1 B 0.417000 1.0079 - 12297 SYS 4099 WAT H2 B 0.417000 1.0079 - 12298 SYS 4100 WAT O1 D -0.834000 15.9994 - 12299 SYS 4100 WAT H1 B 0.417000 1.0079 - 12300 SYS 4100 WAT H2 B 0.417000 1.0079 - 12301 SYS 4101 WAT O1 D -0.834000 15.9994 - 12302 SYS 4101 WAT H1 B 0.417000 1.0079 - 12303 SYS 4101 WAT H2 B 0.417000 1.0079 - 12304 SYS 4102 WAT O1 D -0.834000 15.9994 - 12305 SYS 4102 WAT H1 B 0.417000 1.0079 - 12306 SYS 4102 WAT H2 B 0.417000 1.0079 - 12307 SYS 4103 WAT O1 D -0.834000 15.9994 - 12308 SYS 4103 WAT H1 B 0.417000 1.0079 - 12309 SYS 4103 WAT H2 B 0.417000 1.0079 - 12310 SYS 4104 WAT O1 D -0.834000 15.9994 - 12311 SYS 4104 WAT H1 B 0.417000 1.0079 - 12312 SYS 4104 WAT H2 B 0.417000 1.0079 - 12313 SYS 4105 WAT O1 D -0.834000 15.9994 - 12314 SYS 4105 WAT H1 B 0.417000 1.0079 - 12315 SYS 4105 WAT H2 B 0.417000 1.0079 - 12316 SYS 4106 WAT O1 D -0.834000 15.9994 - 12317 SYS 4106 WAT H1 B 0.417000 1.0079 - 12318 SYS 4106 WAT H2 B 0.417000 1.0079 - 12319 SYS 4107 WAT O1 D -0.834000 15.9994 - 12320 SYS 4107 WAT H1 B 0.417000 1.0079 - 12321 SYS 4107 WAT H2 B 0.417000 1.0079 - 12322 SYS 4108 WAT O1 D -0.834000 15.9994 - 12323 SYS 4108 WAT H1 B 0.417000 1.0079 - 12324 SYS 4108 WAT H2 B 0.417000 1.0079 - 12325 SYS 4109 WAT O1 D -0.834000 15.9994 - 12326 SYS 4109 WAT H1 B 0.417000 1.0079 - 12327 SYS 4109 WAT H2 B 0.417000 1.0079 - 12328 SYS 4110 WAT O1 D -0.834000 15.9994 - 12329 SYS 4110 WAT H1 B 0.417000 1.0079 - 12330 SYS 4110 WAT H2 B 0.417000 1.0079 - 12331 SYS 4111 WAT O1 D -0.834000 15.9994 - 12332 SYS 4111 WAT H1 B 0.417000 1.0079 - 12333 SYS 4111 WAT H2 B 0.417000 1.0079 - 12334 SYS 4112 WAT O1 D -0.834000 15.9994 - 12335 SYS 4112 WAT H1 B 0.417000 1.0079 - 12336 SYS 4112 WAT H2 B 0.417000 1.0079 - 12337 SYS 4113 WAT O1 D -0.834000 15.9994 - 12338 SYS 4113 WAT H1 B 0.417000 1.0079 - 12339 SYS 4113 WAT H2 B 0.417000 1.0079 - 12340 SYS 4114 WAT O1 D -0.834000 15.9994 - 12341 SYS 4114 WAT H1 B 0.417000 1.0079 - 12342 SYS 4114 WAT H2 B 0.417000 1.0079 - 12343 SYS 4115 WAT O1 D -0.834000 15.9994 - 12344 SYS 4115 WAT H1 B 0.417000 1.0079 - 12345 SYS 4115 WAT H2 B 0.417000 1.0079 - 12346 SYS 4116 WAT O1 D -0.834000 15.9994 - 12347 SYS 4116 WAT H1 B 0.417000 1.0079 - 12348 SYS 4116 WAT H2 B 0.417000 1.0079 - 12349 SYS 4117 WAT O1 D -0.834000 15.9994 - 12350 SYS 4117 WAT H1 B 0.417000 1.0079 - 12351 SYS 4117 WAT H2 B 0.417000 1.0079 - 12352 SYS 4118 WAT O1 D -0.834000 15.9994 - 12353 SYS 4118 WAT H1 B 0.417000 1.0079 - 12354 SYS 4118 WAT H2 B 0.417000 1.0079 - 12355 SYS 4119 WAT O1 D -0.834000 15.9994 - 12356 SYS 4119 WAT H1 B 0.417000 1.0079 - 12357 SYS 4119 WAT H2 B 0.417000 1.0079 - 12358 SYS 4120 WAT O1 D -0.834000 15.9994 - 12359 SYS 4120 WAT H1 B 0.417000 1.0079 - 12360 SYS 4120 WAT H2 B 0.417000 1.0079 - 12361 SYS 4121 WAT O1 D -0.834000 15.9994 - 12362 SYS 4121 WAT H1 B 0.417000 1.0079 - 12363 SYS 4121 WAT H2 B 0.417000 1.0079 - 12364 SYS 4122 WAT O1 D -0.834000 15.9994 - 12365 SYS 4122 WAT H1 B 0.417000 1.0079 - 12366 SYS 4122 WAT H2 B 0.417000 1.0079 - 12367 SYS 4123 WAT O1 D -0.834000 15.9994 - 12368 SYS 4123 WAT H1 B 0.417000 1.0079 - 12369 SYS 4123 WAT H2 B 0.417000 1.0079 - 12370 SYS 4124 WAT O1 D -0.834000 15.9994 - 12371 SYS 4124 WAT H1 B 0.417000 1.0079 - 12372 SYS 4124 WAT H2 B 0.417000 1.0079 - 12373 SYS 4125 WAT O1 D -0.834000 15.9994 - 12374 SYS 4125 WAT H1 B 0.417000 1.0079 - 12375 SYS 4125 WAT H2 B 0.417000 1.0079 - 12376 SYS 4126 WAT O1 D -0.834000 15.9994 - 12377 SYS 4126 WAT H1 B 0.417000 1.0079 - 12378 SYS 4126 WAT H2 B 0.417000 1.0079 - 12379 SYS 4127 WAT O1 D -0.834000 15.9994 - 12380 SYS 4127 WAT H1 B 0.417000 1.0079 - 12381 SYS 4127 WAT H2 B 0.417000 1.0079 - 12382 SYS 4128 WAT O1 D -0.834000 15.9994 - 12383 SYS 4128 WAT H1 B 0.417000 1.0079 - 12384 SYS 4128 WAT H2 B 0.417000 1.0079 - 12385 SYS 4129 WAT O1 D -0.834000 15.9994 - 12386 SYS 4129 WAT H1 B 0.417000 1.0079 - 12387 SYS 4129 WAT H2 B 0.417000 1.0079 - 12388 SYS 4130 WAT O1 D -0.834000 15.9994 - 12389 SYS 4130 WAT H1 B 0.417000 1.0079 - 12390 SYS 4130 WAT H2 B 0.417000 1.0079 - 12391 SYS 4131 WAT O1 D -0.834000 15.9994 - 12392 SYS 4131 WAT H1 B 0.417000 1.0079 - 12393 SYS 4131 WAT H2 B 0.417000 1.0079 - 12394 SYS 4132 WAT O1 D -0.834000 15.9994 - 12395 SYS 4132 WAT H1 B 0.417000 1.0079 - 12396 SYS 4132 WAT H2 B 0.417000 1.0079 - 12397 SYS 4133 WAT O1 D -0.834000 15.9994 - 12398 SYS 4133 WAT H1 B 0.417000 1.0079 - 12399 SYS 4133 WAT H2 B 0.417000 1.0079 - 12400 SYS 4134 WAT O1 D -0.834000 15.9994 - 12401 SYS 4134 WAT H1 B 0.417000 1.0079 - 12402 SYS 4134 WAT H2 B 0.417000 1.0079 - 12403 SYS 4135 WAT O1 D -0.834000 15.9994 - 12404 SYS 4135 WAT H1 B 0.417000 1.0079 - 12405 SYS 4135 WAT H2 B 0.417000 1.0079 - 12406 SYS 4136 WAT O1 D -0.834000 15.9994 - 12407 SYS 4136 WAT H1 B 0.417000 1.0079 - 12408 SYS 4136 WAT H2 B 0.417000 1.0079 - 12409 SYS 4137 WAT O1 D -0.834000 15.9994 - 12410 SYS 4137 WAT H1 B 0.417000 1.0079 - 12411 SYS 4137 WAT H2 B 0.417000 1.0079 - 12412 SYS 4138 WAT O1 D -0.834000 15.9994 - 12413 SYS 4138 WAT H1 B 0.417000 1.0079 - 12414 SYS 4138 WAT H2 B 0.417000 1.0079 - 12415 SYS 4139 WAT O1 D -0.834000 15.9994 - 12416 SYS 4139 WAT H1 B 0.417000 1.0079 - 12417 SYS 4139 WAT H2 B 0.417000 1.0079 - 12418 SYS 4140 WAT O1 D -0.834000 15.9994 - 12419 SYS 4140 WAT H1 B 0.417000 1.0079 - 12420 SYS 4140 WAT H2 B 0.417000 1.0079 - 12421 SYS 4141 WAT O1 D -0.834000 15.9994 - 12422 SYS 4141 WAT H1 B 0.417000 1.0079 - 12423 SYS 4141 WAT H2 B 0.417000 1.0079 - 12424 SYS 4142 WAT O1 D -0.834000 15.9994 - 12425 SYS 4142 WAT H1 B 0.417000 1.0079 - 12426 SYS 4142 WAT H2 B 0.417000 1.0079 - 12427 SYS 4143 WAT O1 D -0.834000 15.9994 - 12428 SYS 4143 WAT H1 B 0.417000 1.0079 - 12429 SYS 4143 WAT H2 B 0.417000 1.0079 - 12430 SYS 4144 WAT O1 D -0.834000 15.9994 - 12431 SYS 4144 WAT H1 B 0.417000 1.0079 - 12432 SYS 4144 WAT H2 B 0.417000 1.0079 - 12433 SYS 4145 WAT O1 D -0.834000 15.9994 - 12434 SYS 4145 WAT H1 B 0.417000 1.0079 - 12435 SYS 4145 WAT H2 B 0.417000 1.0079 - 12436 SYS 4146 WAT O1 D -0.834000 15.9994 - 12437 SYS 4146 WAT H1 B 0.417000 1.0079 - 12438 SYS 4146 WAT H2 B 0.417000 1.0079 - 12439 SYS 4147 WAT O1 D -0.834000 15.9994 - 12440 SYS 4147 WAT H1 B 0.417000 1.0079 - 12441 SYS 4147 WAT H2 B 0.417000 1.0079 - 12442 SYS 4148 WAT O1 D -0.834000 15.9994 - 12443 SYS 4148 WAT H1 B 0.417000 1.0079 - 12444 SYS 4148 WAT H2 B 0.417000 1.0079 - 12445 SYS 4149 WAT O1 D -0.834000 15.9994 - 12446 SYS 4149 WAT H1 B 0.417000 1.0079 - 12447 SYS 4149 WAT H2 B 0.417000 1.0079 - 12448 SYS 4150 WAT O1 D -0.834000 15.9994 - 12449 SYS 4150 WAT H1 B 0.417000 1.0079 - 12450 SYS 4150 WAT H2 B 0.417000 1.0079 - 12451 SYS 4151 WAT O1 D -0.834000 15.9994 - 12452 SYS 4151 WAT H1 B 0.417000 1.0079 - 12453 SYS 4151 WAT H2 B 0.417000 1.0079 - 12454 SYS 4152 WAT O1 D -0.834000 15.9994 - 12455 SYS 4152 WAT H1 B 0.417000 1.0079 - 12456 SYS 4152 WAT H2 B 0.417000 1.0079 - 12457 SYS 4153 WAT O1 D -0.834000 15.9994 - 12458 SYS 4153 WAT H1 B 0.417000 1.0079 - 12459 SYS 4153 WAT H2 B 0.417000 1.0079 - 12460 SYS 4154 WAT O1 D -0.834000 15.9994 - 12461 SYS 4154 WAT H1 B 0.417000 1.0079 - 12462 SYS 4154 WAT H2 B 0.417000 1.0079 - 12463 SYS 4155 WAT O1 D -0.834000 15.9994 - 12464 SYS 4155 WAT H1 B 0.417000 1.0079 - 12465 SYS 4155 WAT H2 B 0.417000 1.0079 - 12466 SYS 4156 WAT O1 D -0.834000 15.9994 - 12467 SYS 4156 WAT H1 B 0.417000 1.0079 - 12468 SYS 4156 WAT H2 B 0.417000 1.0079 - 12469 SYS 4157 WAT O1 D -0.834000 15.9994 - 12470 SYS 4157 WAT H1 B 0.417000 1.0079 - 12471 SYS 4157 WAT H2 B 0.417000 1.0079 - 12472 SYS 4158 WAT O1 D -0.834000 15.9994 - 12473 SYS 4158 WAT H1 B 0.417000 1.0079 - 12474 SYS 4158 WAT H2 B 0.417000 1.0079 - 12475 SYS 4159 WAT O1 D -0.834000 15.9994 - 12476 SYS 4159 WAT H1 B 0.417000 1.0079 - 12477 SYS 4159 WAT H2 B 0.417000 1.0079 - 12478 SYS 4160 WAT O1 D -0.834000 15.9994 - 12479 SYS 4160 WAT H1 B 0.417000 1.0079 - 12480 SYS 4160 WAT H2 B 0.417000 1.0079 - 12481 SYS 4161 WAT O1 D -0.834000 15.9994 - 12482 SYS 4161 WAT H1 B 0.417000 1.0079 - 12483 SYS 4161 WAT H2 B 0.417000 1.0079 - 12484 SYS 4162 WAT O1 D -0.834000 15.9994 - 12485 SYS 4162 WAT H1 B 0.417000 1.0079 - 12486 SYS 4162 WAT H2 B 0.417000 1.0079 - 12487 SYS 4163 WAT O1 D -0.834000 15.9994 - 12488 SYS 4163 WAT H1 B 0.417000 1.0079 - 12489 SYS 4163 WAT H2 B 0.417000 1.0079 - 12490 SYS 4164 WAT O1 D -0.834000 15.9994 - 12491 SYS 4164 WAT H1 B 0.417000 1.0079 - 12492 SYS 4164 WAT H2 B 0.417000 1.0079 - 12493 SYS 4165 WAT O1 D -0.834000 15.9994 - 12494 SYS 4165 WAT H1 B 0.417000 1.0079 - 12495 SYS 4165 WAT H2 B 0.417000 1.0079 - 12496 SYS 4166 WAT O1 D -0.834000 15.9994 - 12497 SYS 4166 WAT H1 B 0.417000 1.0079 - 12498 SYS 4166 WAT H2 B 0.417000 1.0079 - 12499 SYS 4167 WAT O1 D -0.834000 15.9994 - 12500 SYS 4167 WAT H1 B 0.417000 1.0079 - 12501 SYS 4167 WAT H2 B 0.417000 1.0079 - 12502 SYS 4168 WAT O1 D -0.834000 15.9994 - 12503 SYS 4168 WAT H1 B 0.417000 1.0079 - 12504 SYS 4168 WAT H2 B 0.417000 1.0079 - 12505 SYS 4169 WAT O1 D -0.834000 15.9994 - 12506 SYS 4169 WAT H1 B 0.417000 1.0079 - 12507 SYS 4169 WAT H2 B 0.417000 1.0079 - 12508 SYS 4170 WAT O1 D -0.834000 15.9994 - 12509 SYS 4170 WAT H1 B 0.417000 1.0079 - 12510 SYS 4170 WAT H2 B 0.417000 1.0079 - 12511 SYS 4171 WAT O1 D -0.834000 15.9994 - 12512 SYS 4171 WAT H1 B 0.417000 1.0079 - 12513 SYS 4171 WAT H2 B 0.417000 1.0079 - 12514 SYS 4172 WAT O1 D -0.834000 15.9994 - 12515 SYS 4172 WAT H1 B 0.417000 1.0079 - 12516 SYS 4172 WAT H2 B 0.417000 1.0079 - 12517 SYS 4173 WAT O1 D -0.834000 15.9994 - 12518 SYS 4173 WAT H1 B 0.417000 1.0079 - 12519 SYS 4173 WAT H2 B 0.417000 1.0079 - 12520 SYS 4174 WAT O1 D -0.834000 15.9994 - 12521 SYS 4174 WAT H1 B 0.417000 1.0079 - 12522 SYS 4174 WAT H2 B 0.417000 1.0079 - 12523 SYS 4175 WAT O1 D -0.834000 15.9994 - 12524 SYS 4175 WAT H1 B 0.417000 1.0079 - 12525 SYS 4175 WAT H2 B 0.417000 1.0079 - 12526 SYS 4176 WAT O1 D -0.834000 15.9994 - 12527 SYS 4176 WAT H1 B 0.417000 1.0079 - 12528 SYS 4176 WAT H2 B 0.417000 1.0079 - 12529 SYS 4177 WAT O1 D -0.834000 15.9994 - 12530 SYS 4177 WAT H1 B 0.417000 1.0079 - 12531 SYS 4177 WAT H2 B 0.417000 1.0079 - 12532 SYS 4178 WAT O1 D -0.834000 15.9994 - 12533 SYS 4178 WAT H1 B 0.417000 1.0079 - 12534 SYS 4178 WAT H2 B 0.417000 1.0079 - 12535 SYS 4179 WAT O1 D -0.834000 15.9994 - 12536 SYS 4179 WAT H1 B 0.417000 1.0079 - 12537 SYS 4179 WAT H2 B 0.417000 1.0079 - 12538 SYS 4180 WAT O1 D -0.834000 15.9994 - 12539 SYS 4180 WAT H1 B 0.417000 1.0079 - 12540 SYS 4180 WAT H2 B 0.417000 1.0079 - 12541 SYS 4181 WAT O1 D -0.834000 15.9994 - 12542 SYS 4181 WAT H1 B 0.417000 1.0079 - 12543 SYS 4181 WAT H2 B 0.417000 1.0079 - 12544 SYS 4182 WAT O1 D -0.834000 15.9994 - 12545 SYS 4182 WAT H1 B 0.417000 1.0079 - 12546 SYS 4182 WAT H2 B 0.417000 1.0079 - 12547 SYS 4183 WAT O1 D -0.834000 15.9994 - 12548 SYS 4183 WAT H1 B 0.417000 1.0079 - 12549 SYS 4183 WAT H2 B 0.417000 1.0079 - 12550 SYS 4184 WAT O1 D -0.834000 15.9994 - 12551 SYS 4184 WAT H1 B 0.417000 1.0079 - 12552 SYS 4184 WAT H2 B 0.417000 1.0079 - 12553 SYS 4185 WAT O1 D -0.834000 15.9994 - 12554 SYS 4185 WAT H1 B 0.417000 1.0079 - 12555 SYS 4185 WAT H2 B 0.417000 1.0079 - 12556 SYS 4186 WAT O1 D -0.834000 15.9994 - 12557 SYS 4186 WAT H1 B 0.417000 1.0079 - 12558 SYS 4186 WAT H2 B 0.417000 1.0079 - 12559 SYS 4187 WAT O1 D -0.834000 15.9994 - 12560 SYS 4187 WAT H1 B 0.417000 1.0079 - 12561 SYS 4187 WAT H2 B 0.417000 1.0079 - 12562 SYS 4188 WAT O1 D -0.834000 15.9994 - 12563 SYS 4188 WAT H1 B 0.417000 1.0079 - 12564 SYS 4188 WAT H2 B 0.417000 1.0079 - 12565 SYS 4189 WAT O1 D -0.834000 15.9994 - 12566 SYS 4189 WAT H1 B 0.417000 1.0079 - 12567 SYS 4189 WAT H2 B 0.417000 1.0079 - 12568 SYS 4190 WAT O1 D -0.834000 15.9994 - 12569 SYS 4190 WAT H1 B 0.417000 1.0079 - 12570 SYS 4190 WAT H2 B 0.417000 1.0079 - 12571 SYS 4191 WAT O1 D -0.834000 15.9994 - 12572 SYS 4191 WAT H1 B 0.417000 1.0079 - 12573 SYS 4191 WAT H2 B 0.417000 1.0079 - 12574 SYS 4192 WAT O1 D -0.834000 15.9994 - 12575 SYS 4192 WAT H1 B 0.417000 1.0079 - 12576 SYS 4192 WAT H2 B 0.417000 1.0079 - 12577 SYS 4193 WAT O1 D -0.834000 15.9994 - 12578 SYS 4193 WAT H1 B 0.417000 1.0079 - 12579 SYS 4193 WAT H2 B 0.417000 1.0079 - 12580 SYS 4194 WAT O1 D -0.834000 15.9994 - 12581 SYS 4194 WAT H1 B 0.417000 1.0079 - 12582 SYS 4194 WAT H2 B 0.417000 1.0079 - 12583 SYS 4195 WAT O1 D -0.834000 15.9994 - 12584 SYS 4195 WAT H1 B 0.417000 1.0079 - 12585 SYS 4195 WAT H2 B 0.417000 1.0079 - 12586 SYS 4196 WAT O1 D -0.834000 15.9994 - 12587 SYS 4196 WAT H1 B 0.417000 1.0079 - 12588 SYS 4196 WAT H2 B 0.417000 1.0079 - 12589 SYS 4197 WAT O1 D -0.834000 15.9994 - 12590 SYS 4197 WAT H1 B 0.417000 1.0079 - 12591 SYS 4197 WAT H2 B 0.417000 1.0079 - 12592 SYS 4198 WAT O1 D -0.834000 15.9994 - 12593 SYS 4198 WAT H1 B 0.417000 1.0079 - 12594 SYS 4198 WAT H2 B 0.417000 1.0079 - 12595 SYS 4199 WAT O1 D -0.834000 15.9994 - 12596 SYS 4199 WAT H1 B 0.417000 1.0079 - 12597 SYS 4199 WAT H2 B 0.417000 1.0079 - 12598 SYS 4200 WAT O1 D -0.834000 15.9994 - 12599 SYS 4200 WAT H1 B 0.417000 1.0079 - 12600 SYS 4200 WAT H2 B 0.417000 1.0079 - 12601 SYS 4201 WAT O1 D -0.834000 15.9994 - 12602 SYS 4201 WAT H1 B 0.417000 1.0079 - 12603 SYS 4201 WAT H2 B 0.417000 1.0079 - 12604 SYS 4202 WAT O1 D -0.834000 15.9994 - 12605 SYS 4202 WAT H1 B 0.417000 1.0079 - 12606 SYS 4202 WAT H2 B 0.417000 1.0079 - 12607 SYS 4203 WAT O1 D -0.834000 15.9994 - 12608 SYS 4203 WAT H1 B 0.417000 1.0079 - 12609 SYS 4203 WAT H2 B 0.417000 1.0079 - 12610 SYS 4204 WAT O1 D -0.834000 15.9994 - 12611 SYS 4204 WAT H1 B 0.417000 1.0079 - 12612 SYS 4204 WAT H2 B 0.417000 1.0079 - 12613 SYS 4205 WAT O1 D -0.834000 15.9994 - 12614 SYS 4205 WAT H1 B 0.417000 1.0079 - 12615 SYS 4205 WAT H2 B 0.417000 1.0079 - 12616 SYS 4206 WAT O1 D -0.834000 15.9994 - 12617 SYS 4206 WAT H1 B 0.417000 1.0079 - 12618 SYS 4206 WAT H2 B 0.417000 1.0079 - 12619 SYS 4207 WAT O1 D -0.834000 15.9994 - 12620 SYS 4207 WAT H1 B 0.417000 1.0079 - 12621 SYS 4207 WAT H2 B 0.417000 1.0079 - 12622 SYS 4208 WAT O1 D -0.834000 15.9994 - 12623 SYS 4208 WAT H1 B 0.417000 1.0079 - 12624 SYS 4208 WAT H2 B 0.417000 1.0079 - 12625 SYS 4209 WAT O1 D -0.834000 15.9994 - 12626 SYS 4209 WAT H1 B 0.417000 1.0079 - 12627 SYS 4209 WAT H2 B 0.417000 1.0079 - 12628 SYS 4210 WAT O1 D -0.834000 15.9994 - 12629 SYS 4210 WAT H1 B 0.417000 1.0079 - 12630 SYS 4210 WAT H2 B 0.417000 1.0079 - 12631 SYS 4211 WAT O1 D -0.834000 15.9994 - 12632 SYS 4211 WAT H1 B 0.417000 1.0079 - 12633 SYS 4211 WAT H2 B 0.417000 1.0079 - 12634 SYS 4212 WAT O1 D -0.834000 15.9994 - 12635 SYS 4212 WAT H1 B 0.417000 1.0079 - 12636 SYS 4212 WAT H2 B 0.417000 1.0079 - 12637 SYS 4213 WAT O1 D -0.834000 15.9994 - 12638 SYS 4213 WAT H1 B 0.417000 1.0079 - 12639 SYS 4213 WAT H2 B 0.417000 1.0079 - 12640 SYS 4214 WAT O1 D -0.834000 15.9994 - 12641 SYS 4214 WAT H1 B 0.417000 1.0079 - 12642 SYS 4214 WAT H2 B 0.417000 1.0079 - 12643 SYS 4215 WAT O1 D -0.834000 15.9994 - 12644 SYS 4215 WAT H1 B 0.417000 1.0079 - 12645 SYS 4215 WAT H2 B 0.417000 1.0079 - 12646 SYS 4216 WAT O1 D -0.834000 15.9994 - 12647 SYS 4216 WAT H1 B 0.417000 1.0079 - 12648 SYS 4216 WAT H2 B 0.417000 1.0079 - 12649 SYS 4217 WAT O1 D -0.834000 15.9994 - 12650 SYS 4217 WAT H1 B 0.417000 1.0079 - 12651 SYS 4217 WAT H2 B 0.417000 1.0079 - 12652 SYS 4218 WAT O1 D -0.834000 15.9994 - 12653 SYS 4218 WAT H1 B 0.417000 1.0079 - 12654 SYS 4218 WAT H2 B 0.417000 1.0079 - 12655 SYS 4219 WAT O1 D -0.834000 15.9994 - 12656 SYS 4219 WAT H1 B 0.417000 1.0079 - 12657 SYS 4219 WAT H2 B 0.417000 1.0079 - 12658 SYS 4220 WAT O1 D -0.834000 15.9994 - 12659 SYS 4220 WAT H1 B 0.417000 1.0079 - 12660 SYS 4220 WAT H2 B 0.417000 1.0079 - 12661 SYS 4221 WAT O1 D -0.834000 15.9994 - 12662 SYS 4221 WAT H1 B 0.417000 1.0079 - 12663 SYS 4221 WAT H2 B 0.417000 1.0079 - 12664 SYS 4222 WAT O1 D -0.834000 15.9994 - 12665 SYS 4222 WAT H1 B 0.417000 1.0079 - 12666 SYS 4222 WAT H2 B 0.417000 1.0079 - 12667 SYS 4223 WAT O1 D -0.834000 15.9994 - 12668 SYS 4223 WAT H1 B 0.417000 1.0079 - 12669 SYS 4223 WAT H2 B 0.417000 1.0079 - 12670 SYS 4224 WAT O1 D -0.834000 15.9994 - 12671 SYS 4224 WAT H1 B 0.417000 1.0079 - 12672 SYS 4224 WAT H2 B 0.417000 1.0079 - 12673 SYS 4225 WAT O1 D -0.834000 15.9994 - 12674 SYS 4225 WAT H1 B 0.417000 1.0079 - 12675 SYS 4225 WAT H2 B 0.417000 1.0079 - 12676 SYS 4226 WAT O1 D -0.834000 15.9994 - 12677 SYS 4226 WAT H1 B 0.417000 1.0079 - 12678 SYS 4226 WAT H2 B 0.417000 1.0079 - 12679 SYS 4227 WAT O1 D -0.834000 15.9994 - 12680 SYS 4227 WAT H1 B 0.417000 1.0079 - 12681 SYS 4227 WAT H2 B 0.417000 1.0079 - 12682 SYS 4228 WAT O1 D -0.834000 15.9994 - 12683 SYS 4228 WAT H1 B 0.417000 1.0079 - 12684 SYS 4228 WAT H2 B 0.417000 1.0079 - 12685 SYS 4229 WAT O1 D -0.834000 15.9994 - 12686 SYS 4229 WAT H1 B 0.417000 1.0079 - 12687 SYS 4229 WAT H2 B 0.417000 1.0079 - 12688 SYS 4230 WAT O1 D -0.834000 15.9994 - 12689 SYS 4230 WAT H1 B 0.417000 1.0079 - 12690 SYS 4230 WAT H2 B 0.417000 1.0079 - 12691 SYS 4231 WAT O1 D -0.834000 15.9994 - 12692 SYS 4231 WAT H1 B 0.417000 1.0079 - 12693 SYS 4231 WAT H2 B 0.417000 1.0079 - 12694 SYS 4232 WAT O1 D -0.834000 15.9994 - 12695 SYS 4232 WAT H1 B 0.417000 1.0079 - 12696 SYS 4232 WAT H2 B 0.417000 1.0079 - 12697 SYS 4233 WAT O1 D -0.834000 15.9994 - 12698 SYS 4233 WAT H1 B 0.417000 1.0079 - 12699 SYS 4233 WAT H2 B 0.417000 1.0079 - 12700 SYS 4234 WAT O1 D -0.834000 15.9994 - 12701 SYS 4234 WAT H1 B 0.417000 1.0079 - 12702 SYS 4234 WAT H2 B 0.417000 1.0079 - 12703 SYS 4235 WAT O1 D -0.834000 15.9994 - 12704 SYS 4235 WAT H1 B 0.417000 1.0079 - 12705 SYS 4235 WAT H2 B 0.417000 1.0079 - 12706 SYS 4236 WAT O1 D -0.834000 15.9994 - 12707 SYS 4236 WAT H1 B 0.417000 1.0079 - 12708 SYS 4236 WAT H2 B 0.417000 1.0079 - 12709 SYS 4237 WAT O1 D -0.834000 15.9994 - 12710 SYS 4237 WAT H1 B 0.417000 1.0079 - 12711 SYS 4237 WAT H2 B 0.417000 1.0079 - 12712 SYS 4238 WAT O1 D -0.834000 15.9994 - 12713 SYS 4238 WAT H1 B 0.417000 1.0079 - 12714 SYS 4238 WAT H2 B 0.417000 1.0079 - 12715 SYS 4239 WAT O1 D -0.834000 15.9994 - 12716 SYS 4239 WAT H1 B 0.417000 1.0079 - 12717 SYS 4239 WAT H2 B 0.417000 1.0079 - 12718 SYS 4240 WAT O1 D -0.834000 15.9994 - 12719 SYS 4240 WAT H1 B 0.417000 1.0079 - 12720 SYS 4240 WAT H2 B 0.417000 1.0079 - 12721 SYS 4241 WAT O1 D -0.834000 15.9994 - 12722 SYS 4241 WAT H1 B 0.417000 1.0079 - 12723 SYS 4241 WAT H2 B 0.417000 1.0079 - 12724 SYS 4242 WAT O1 D -0.834000 15.9994 - 12725 SYS 4242 WAT H1 B 0.417000 1.0079 - 12726 SYS 4242 WAT H2 B 0.417000 1.0079 - 12727 SYS 4243 WAT O1 D -0.834000 15.9994 - 12728 SYS 4243 WAT H1 B 0.417000 1.0079 - 12729 SYS 4243 WAT H2 B 0.417000 1.0079 - 12730 SYS 4244 WAT O1 D -0.834000 15.9994 - 12731 SYS 4244 WAT H1 B 0.417000 1.0079 - 12732 SYS 4244 WAT H2 B 0.417000 1.0079 - 12733 SYS 4245 WAT O1 D -0.834000 15.9994 - 12734 SYS 4245 WAT H1 B 0.417000 1.0079 - 12735 SYS 4245 WAT H2 B 0.417000 1.0079 - 12736 SYS 4246 WAT O1 D -0.834000 15.9994 - 12737 SYS 4246 WAT H1 B 0.417000 1.0079 - 12738 SYS 4246 WAT H2 B 0.417000 1.0079 - 12739 SYS 4247 WAT O1 D -0.834000 15.9994 - 12740 SYS 4247 WAT H1 B 0.417000 1.0079 - 12741 SYS 4247 WAT H2 B 0.417000 1.0079 - 12742 SYS 4248 WAT O1 D -0.834000 15.9994 - 12743 SYS 4248 WAT H1 B 0.417000 1.0079 - 12744 SYS 4248 WAT H2 B 0.417000 1.0079 - 12745 SYS 4249 WAT O1 D -0.834000 15.9994 - 12746 SYS 4249 WAT H1 B 0.417000 1.0079 - 12747 SYS 4249 WAT H2 B 0.417000 1.0079 - 12748 SYS 4250 WAT O1 D -0.834000 15.9994 - 12749 SYS 4250 WAT H1 B 0.417000 1.0079 - 12750 SYS 4250 WAT H2 B 0.417000 1.0079 - 12751 SYS 4251 WAT O1 D -0.834000 15.9994 - 12752 SYS 4251 WAT H1 B 0.417000 1.0079 - 12753 SYS 4251 WAT H2 B 0.417000 1.0079 - 12754 SYS 4252 WAT O1 D -0.834000 15.9994 - 12755 SYS 4252 WAT H1 B 0.417000 1.0079 - 12756 SYS 4252 WAT H2 B 0.417000 1.0079 - 12757 SYS 4253 WAT O1 D -0.834000 15.9994 - 12758 SYS 4253 WAT H1 B 0.417000 1.0079 - 12759 SYS 4253 WAT H2 B 0.417000 1.0079 - 12760 SYS 4254 WAT O1 D -0.834000 15.9994 - 12761 SYS 4254 WAT H1 B 0.417000 1.0079 - 12762 SYS 4254 WAT H2 B 0.417000 1.0079 - 12763 SYS 4255 WAT O1 D -0.834000 15.9994 - 12764 SYS 4255 WAT H1 B 0.417000 1.0079 - 12765 SYS 4255 WAT H2 B 0.417000 1.0079 - 12766 SYS 4256 WAT O1 D -0.834000 15.9994 - 12767 SYS 4256 WAT H1 B 0.417000 1.0079 - 12768 SYS 4256 WAT H2 B 0.417000 1.0079 - 12769 SYS 4257 WAT O1 D -0.834000 15.9994 - 12770 SYS 4257 WAT H1 B 0.417000 1.0079 - 12771 SYS 4257 WAT H2 B 0.417000 1.0079 - 12772 SYS 4258 WAT O1 D -0.834000 15.9994 - 12773 SYS 4258 WAT H1 B 0.417000 1.0079 - 12774 SYS 4258 WAT H2 B 0.417000 1.0079 - 12775 SYS 4259 WAT O1 D -0.834000 15.9994 - 12776 SYS 4259 WAT H1 B 0.417000 1.0079 - 12777 SYS 4259 WAT H2 B 0.417000 1.0079 - 12778 SYS 4260 WAT O1 D -0.834000 15.9994 - 12779 SYS 4260 WAT H1 B 0.417000 1.0079 - 12780 SYS 4260 WAT H2 B 0.417000 1.0079 - 12781 SYS 4261 WAT O1 D -0.834000 15.9994 - 12782 SYS 4261 WAT H1 B 0.417000 1.0079 - 12783 SYS 4261 WAT H2 B 0.417000 1.0079 - 12784 SYS 4262 WAT O1 D -0.834000 15.9994 - 12785 SYS 4262 WAT H1 B 0.417000 1.0079 - 12786 SYS 4262 WAT H2 B 0.417000 1.0079 - 12787 SYS 4263 WAT O1 D -0.834000 15.9994 - 12788 SYS 4263 WAT H1 B 0.417000 1.0079 - 12789 SYS 4263 WAT H2 B 0.417000 1.0079 - 12790 SYS 4264 WAT O1 D -0.834000 15.9994 - 12791 SYS 4264 WAT H1 B 0.417000 1.0079 - 12792 SYS 4264 WAT H2 B 0.417000 1.0079 - 12793 SYS 4265 WAT O1 D -0.834000 15.9994 - 12794 SYS 4265 WAT H1 B 0.417000 1.0079 - 12795 SYS 4265 WAT H2 B 0.417000 1.0079 - 12796 SYS 4266 WAT O1 D -0.834000 15.9994 - 12797 SYS 4266 WAT H1 B 0.417000 1.0079 - 12798 SYS 4266 WAT H2 B 0.417000 1.0079 - 12799 SYS 4267 WAT O1 D -0.834000 15.9994 - 12800 SYS 4267 WAT H1 B 0.417000 1.0079 - 12801 SYS 4267 WAT H2 B 0.417000 1.0079 - 12802 SYS 4268 WAT O1 D -0.834000 15.9994 - 12803 SYS 4268 WAT H1 B 0.417000 1.0079 - 12804 SYS 4268 WAT H2 B 0.417000 1.0079 - 12805 SYS 4269 WAT O1 D -0.834000 15.9994 - 12806 SYS 4269 WAT H1 B 0.417000 1.0079 - 12807 SYS 4269 WAT H2 B 0.417000 1.0079 - 12808 SYS 4270 WAT O1 D -0.834000 15.9994 - 12809 SYS 4270 WAT H1 B 0.417000 1.0079 - 12810 SYS 4270 WAT H2 B 0.417000 1.0079 - 12811 SYS 4271 WAT O1 D -0.834000 15.9994 - 12812 SYS 4271 WAT H1 B 0.417000 1.0079 - 12813 SYS 4271 WAT H2 B 0.417000 1.0079 - 12814 SYS 4272 WAT O1 D -0.834000 15.9994 - 12815 SYS 4272 WAT H1 B 0.417000 1.0079 - 12816 SYS 4272 WAT H2 B 0.417000 1.0079 - 12817 SYS 4273 WAT O1 D -0.834000 15.9994 - 12818 SYS 4273 WAT H1 B 0.417000 1.0079 - 12819 SYS 4273 WAT H2 B 0.417000 1.0079 - 12820 SYS 4274 WAT O1 D -0.834000 15.9994 - 12821 SYS 4274 WAT H1 B 0.417000 1.0079 - 12822 SYS 4274 WAT H2 B 0.417000 1.0079 - 12823 SYS 4275 WAT O1 D -0.834000 15.9994 - 12824 SYS 4275 WAT H1 B 0.417000 1.0079 - 12825 SYS 4275 WAT H2 B 0.417000 1.0079 - 12826 SYS 4276 WAT O1 D -0.834000 15.9994 - 12827 SYS 4276 WAT H1 B 0.417000 1.0079 - 12828 SYS 4276 WAT H2 B 0.417000 1.0079 - 12829 SYS 4277 WAT O1 D -0.834000 15.9994 - 12830 SYS 4277 WAT H1 B 0.417000 1.0079 - 12831 SYS 4277 WAT H2 B 0.417000 1.0079 - 12832 SYS 4278 WAT O1 D -0.834000 15.9994 - 12833 SYS 4278 WAT H1 B 0.417000 1.0079 - 12834 SYS 4278 WAT H2 B 0.417000 1.0079 - 12835 SYS 4279 WAT O1 D -0.834000 15.9994 - 12836 SYS 4279 WAT H1 B 0.417000 1.0079 - 12837 SYS 4279 WAT H2 B 0.417000 1.0079 - 12838 SYS 4280 WAT O1 D -0.834000 15.9994 - 12839 SYS 4280 WAT H1 B 0.417000 1.0079 - 12840 SYS 4280 WAT H2 B 0.417000 1.0079 - 12841 SYS 4281 WAT O1 D -0.834000 15.9994 - 12842 SYS 4281 WAT H1 B 0.417000 1.0079 - 12843 SYS 4281 WAT H2 B 0.417000 1.0079 - 12844 SYS 4282 WAT O1 D -0.834000 15.9994 - 12845 SYS 4282 WAT H1 B 0.417000 1.0079 - 12846 SYS 4282 WAT H2 B 0.417000 1.0079 - 12847 SYS 4283 WAT O1 D -0.834000 15.9994 - 12848 SYS 4283 WAT H1 B 0.417000 1.0079 - 12849 SYS 4283 WAT H2 B 0.417000 1.0079 - 12850 SYS 4284 WAT O1 D -0.834000 15.9994 - 12851 SYS 4284 WAT H1 B 0.417000 1.0079 - 12852 SYS 4284 WAT H2 B 0.417000 1.0079 - 12853 SYS 4285 WAT O1 D -0.834000 15.9994 - 12854 SYS 4285 WAT H1 B 0.417000 1.0079 - 12855 SYS 4285 WAT H2 B 0.417000 1.0079 - 12856 SYS 4286 WAT O1 D -0.834000 15.9994 - 12857 SYS 4286 WAT H1 B 0.417000 1.0079 - 12858 SYS 4286 WAT H2 B 0.417000 1.0079 - 12859 SYS 4287 WAT O1 D -0.834000 15.9994 - 12860 SYS 4287 WAT H1 B 0.417000 1.0079 - 12861 SYS 4287 WAT H2 B 0.417000 1.0079 - 12862 SYS 4288 WAT O1 D -0.834000 15.9994 - 12863 SYS 4288 WAT H1 B 0.417000 1.0079 - 12864 SYS 4288 WAT H2 B 0.417000 1.0079 - 12865 SYS 4289 WAT O1 D -0.834000 15.9994 - 12866 SYS 4289 WAT H1 B 0.417000 1.0079 - 12867 SYS 4289 WAT H2 B 0.417000 1.0079 - 12868 SYS 4290 WAT O1 D -0.834000 15.9994 - 12869 SYS 4290 WAT H1 B 0.417000 1.0079 - 12870 SYS 4290 WAT H2 B 0.417000 1.0079 - 12871 SYS 4291 WAT O1 D -0.834000 15.9994 - 12872 SYS 4291 WAT H1 B 0.417000 1.0079 - 12873 SYS 4291 WAT H2 B 0.417000 1.0079 - 12874 SYS 4292 WAT O1 D -0.834000 15.9994 - 12875 SYS 4292 WAT H1 B 0.417000 1.0079 - 12876 SYS 4292 WAT H2 B 0.417000 1.0079 - 12877 SYS 4293 WAT O1 D -0.834000 15.9994 - 12878 SYS 4293 WAT H1 B 0.417000 1.0079 - 12879 SYS 4293 WAT H2 B 0.417000 1.0079 - 12880 SYS 4294 WAT O1 D -0.834000 15.9994 - 12881 SYS 4294 WAT H1 B 0.417000 1.0079 - 12882 SYS 4294 WAT H2 B 0.417000 1.0079 - 12883 SYS 4295 WAT O1 D -0.834000 15.9994 - 12884 SYS 4295 WAT H1 B 0.417000 1.0079 - 12885 SYS 4295 WAT H2 B 0.417000 1.0079 - 12886 SYS 4296 WAT O1 D -0.834000 15.9994 - 12887 SYS 4296 WAT H1 B 0.417000 1.0079 - 12888 SYS 4296 WAT H2 B 0.417000 1.0079 - 12889 SYS 4297 WAT O1 D -0.834000 15.9994 - 12890 SYS 4297 WAT H1 B 0.417000 1.0079 - 12891 SYS 4297 WAT H2 B 0.417000 1.0079 - 12892 SYS 4298 WAT O1 D -0.834000 15.9994 - 12893 SYS 4298 WAT H1 B 0.417000 1.0079 - 12894 SYS 4298 WAT H2 B 0.417000 1.0079 - 12895 SYS 4299 WAT O1 D -0.834000 15.9994 - 12896 SYS 4299 WAT H1 B 0.417000 1.0079 - 12897 SYS 4299 WAT H2 B 0.417000 1.0079 - 12898 SYS 4300 WAT O1 D -0.834000 15.9994 - 12899 SYS 4300 WAT H1 B 0.417000 1.0079 - 12900 SYS 4300 WAT H2 B 0.417000 1.0079 - 12901 SYS 4301 WAT O1 D -0.834000 15.9994 - 12902 SYS 4301 WAT H1 B 0.417000 1.0079 - 12903 SYS 4301 WAT H2 B 0.417000 1.0079 - 12904 SYS 4302 WAT O1 D -0.834000 15.9994 - 12905 SYS 4302 WAT H1 B 0.417000 1.0079 - 12906 SYS 4302 WAT H2 B 0.417000 1.0079 - 12907 SYS 4303 WAT O1 D -0.834000 15.9994 - 12908 SYS 4303 WAT H1 B 0.417000 1.0079 - 12909 SYS 4303 WAT H2 B 0.417000 1.0079 - 12910 SYS 4304 WAT O1 D -0.834000 15.9994 - 12911 SYS 4304 WAT H1 B 0.417000 1.0079 - 12912 SYS 4304 WAT H2 B 0.417000 1.0079 - 12913 SYS 4305 WAT O1 D -0.834000 15.9994 - 12914 SYS 4305 WAT H1 B 0.417000 1.0079 - 12915 SYS 4305 WAT H2 B 0.417000 1.0079 - 12916 SYS 4306 WAT O1 D -0.834000 15.9994 - 12917 SYS 4306 WAT H1 B 0.417000 1.0079 - 12918 SYS 4306 WAT H2 B 0.417000 1.0079 - 12919 SYS 4307 WAT O1 D -0.834000 15.9994 - 12920 SYS 4307 WAT H1 B 0.417000 1.0079 - 12921 SYS 4307 WAT H2 B 0.417000 1.0079 - 12922 SYS 4308 WAT O1 D -0.834000 15.9994 - 12923 SYS 4308 WAT H1 B 0.417000 1.0079 - 12924 SYS 4308 WAT H2 B 0.417000 1.0079 - 12925 SYS 4309 WAT O1 D -0.834000 15.9994 - 12926 SYS 4309 WAT H1 B 0.417000 1.0079 - 12927 SYS 4309 WAT H2 B 0.417000 1.0079 - 12928 SYS 4310 WAT O1 D -0.834000 15.9994 - 12929 SYS 4310 WAT H1 B 0.417000 1.0079 - 12930 SYS 4310 WAT H2 B 0.417000 1.0079 - 12931 SYS 4311 WAT O1 D -0.834000 15.9994 - 12932 SYS 4311 WAT H1 B 0.417000 1.0079 - 12933 SYS 4311 WAT H2 B 0.417000 1.0079 - 12934 SYS 4312 WAT O1 D -0.834000 15.9994 - 12935 SYS 4312 WAT H1 B 0.417000 1.0079 - 12936 SYS 4312 WAT H2 B 0.417000 1.0079 - 12937 SYS 4313 WAT O1 D -0.834000 15.9994 - 12938 SYS 4313 WAT H1 B 0.417000 1.0079 - 12939 SYS 4313 WAT H2 B 0.417000 1.0079 - 12940 SYS 4314 WAT O1 D -0.834000 15.9994 - 12941 SYS 4314 WAT H1 B 0.417000 1.0079 - 12942 SYS 4314 WAT H2 B 0.417000 1.0079 - 12943 SYS 4315 WAT O1 D -0.834000 15.9994 - 12944 SYS 4315 WAT H1 B 0.417000 1.0079 - 12945 SYS 4315 WAT H2 B 0.417000 1.0079 - 12946 SYS 4316 WAT O1 D -0.834000 15.9994 - 12947 SYS 4316 WAT H1 B 0.417000 1.0079 - 12948 SYS 4316 WAT H2 B 0.417000 1.0079 - 12949 SYS 4317 WAT O1 D -0.834000 15.9994 - 12950 SYS 4317 WAT H1 B 0.417000 1.0079 - 12951 SYS 4317 WAT H2 B 0.417000 1.0079 - 12952 SYS 4318 WAT O1 D -0.834000 15.9994 - 12953 SYS 4318 WAT H1 B 0.417000 1.0079 - 12954 SYS 4318 WAT H2 B 0.417000 1.0079 - 12955 SYS 4319 WAT O1 D -0.834000 15.9994 - 12956 SYS 4319 WAT H1 B 0.417000 1.0079 - 12957 SYS 4319 WAT H2 B 0.417000 1.0079 - 12958 SYS 4320 WAT O1 D -0.834000 15.9994 - 12959 SYS 4320 WAT H1 B 0.417000 1.0079 - 12960 SYS 4320 WAT H2 B 0.417000 1.0079 - 12961 SYS 4321 WAT O1 D -0.834000 15.9994 - 12962 SYS 4321 WAT H1 B 0.417000 1.0079 - 12963 SYS 4321 WAT H2 B 0.417000 1.0079 - 12964 SYS 4322 WAT O1 D -0.834000 15.9994 - 12965 SYS 4322 WAT H1 B 0.417000 1.0079 - 12966 SYS 4322 WAT H2 B 0.417000 1.0079 - 12967 SYS 4323 WAT O1 D -0.834000 15.9994 - 12968 SYS 4323 WAT H1 B 0.417000 1.0079 - 12969 SYS 4323 WAT H2 B 0.417000 1.0079 - 12970 SYS 4324 WAT O1 D -0.834000 15.9994 - 12971 SYS 4324 WAT H1 B 0.417000 1.0079 - 12972 SYS 4324 WAT H2 B 0.417000 1.0079 - 12973 SYS 4325 WAT O1 D -0.834000 15.9994 - 12974 SYS 4325 WAT H1 B 0.417000 1.0079 - 12975 SYS 4325 WAT H2 B 0.417000 1.0079 - 12976 SYS 4326 WAT O1 D -0.834000 15.9994 - 12977 SYS 4326 WAT H1 B 0.417000 1.0079 - 12978 SYS 4326 WAT H2 B 0.417000 1.0079 - 12979 SYS 4327 WAT O1 D -0.834000 15.9994 - 12980 SYS 4327 WAT H1 B 0.417000 1.0079 - 12981 SYS 4327 WAT H2 B 0.417000 1.0079 - 12982 SYS 4328 WAT O1 D -0.834000 15.9994 - 12983 SYS 4328 WAT H1 B 0.417000 1.0079 - 12984 SYS 4328 WAT H2 B 0.417000 1.0079 - 12985 SYS 4329 WAT O1 D -0.834000 15.9994 - 12986 SYS 4329 WAT H1 B 0.417000 1.0079 - 12987 SYS 4329 WAT H2 B 0.417000 1.0079 - 12988 SYS 4330 WAT O1 D -0.834000 15.9994 - 12989 SYS 4330 WAT H1 B 0.417000 1.0079 - 12990 SYS 4330 WAT H2 B 0.417000 1.0079 - 12991 SYS 4331 WAT O1 D -0.834000 15.9994 - 12992 SYS 4331 WAT H1 B 0.417000 1.0079 - 12993 SYS 4331 WAT H2 B 0.417000 1.0079 + 1 SYS 1 TIP3 O1 C -0.834000 15.9994 + 2 SYS 1 TIP3 H1 A 0.417000 1.0079 + 3 SYS 1 TIP3 H2 A 0.417000 1.0079 + 4 SYS 2 TIP3 O1 C -0.834000 15.9994 + 5 SYS 2 TIP3 H1 A 0.417000 1.0079 + 6 SYS 2 TIP3 H2 A 0.417000 1.0079 + 7 SYS 3 TIP3 O1 C -0.834000 15.9994 + 8 SYS 3 TIP3 H1 A 0.417000 1.0079 + 9 SYS 3 TIP3 H2 A 0.417000 1.0079 + 10 SYS 4 TIP3 O1 C -0.834000 15.9994 + 11 SYS 4 TIP3 H1 A 0.417000 1.0079 + 12 SYS 4 TIP3 H2 A 0.417000 1.0079 + 13 SYS 5 TIP3 O1 C -0.834000 15.9994 + 14 SYS 5 TIP3 H1 A 0.417000 1.0079 + 15 SYS 5 TIP3 H2 A 0.417000 1.0079 + 16 SYS 6 TIP3 O1 C -0.834000 15.9994 + 17 SYS 6 TIP3 H1 A 0.417000 1.0079 + 18 SYS 6 TIP3 H2 A 0.417000 1.0079 + 19 SYS 7 TIP3 O1 C -0.834000 15.9994 + 20 SYS 7 TIP3 H1 A 0.417000 1.0079 + 21 SYS 7 TIP3 H2 A 0.417000 1.0079 + 22 SYS 8 TIP3 O1 C -0.834000 15.9994 + 23 SYS 8 TIP3 H1 A 0.417000 1.0079 + 24 SYS 8 TIP3 H2 A 0.417000 1.0079 + 25 SYS 9 TIP3 O1 C -0.834000 15.9994 + 26 SYS 9 TIP3 H1 A 0.417000 1.0079 + 27 SYS 9 TIP3 H2 A 0.417000 1.0079 + 28 SYS 10 TIP3 O1 C -0.834000 15.9994 + 29 SYS 10 TIP3 H1 A 0.417000 1.0079 + 30 SYS 10 TIP3 H2 A 0.417000 1.0079 + 31 SYS 11 TIP3 O1 C -0.834000 15.9994 + 32 SYS 11 TIP3 H1 A 0.417000 1.0079 + 33 SYS 11 TIP3 H2 A 0.417000 1.0079 + 34 SYS 12 TIP3 O1 C -0.834000 15.9994 + 35 SYS 12 TIP3 H1 A 0.417000 1.0079 + 36 SYS 12 TIP3 H2 A 0.417000 1.0079 + 37 SYS 13 TIP3 O1 C -0.834000 15.9994 + 38 SYS 13 TIP3 H1 A 0.417000 1.0079 + 39 SYS 13 TIP3 H2 A 0.417000 1.0079 + 40 SYS 14 TIP3 O1 C -0.834000 15.9994 + 41 SYS 14 TIP3 H1 A 0.417000 1.0079 + 42 SYS 14 TIP3 H2 A 0.417000 1.0079 + 43 SYS 15 TIP3 O1 C -0.834000 15.9994 + 44 SYS 15 TIP3 H1 A 0.417000 1.0079 + 45 SYS 15 TIP3 H2 A 0.417000 1.0079 + 46 SYS 16 TIP3 O1 C -0.834000 15.9994 + 47 SYS 16 TIP3 H1 A 0.417000 1.0079 + 48 SYS 16 TIP3 H2 A 0.417000 1.0079 + 49 SYS 17 TIP3 O1 C -0.834000 15.9994 + 50 SYS 17 TIP3 H1 A 0.417000 1.0079 + 51 SYS 17 TIP3 H2 A 0.417000 1.0079 + 52 SYS 18 TIP3 O1 C -0.834000 15.9994 + 53 SYS 18 TIP3 H1 A 0.417000 1.0079 + 54 SYS 18 TIP3 H2 A 0.417000 1.0079 + 55 SYS 19 TIP3 O1 C -0.834000 15.9994 + 56 SYS 19 TIP3 H1 A 0.417000 1.0079 + 57 SYS 19 TIP3 H2 A 0.417000 1.0079 + 58 SYS 20 TIP3 O1 C -0.834000 15.9994 + 59 SYS 20 TIP3 H1 A 0.417000 1.0079 + 60 SYS 20 TIP3 H2 A 0.417000 1.0079 + 61 SYS 21 TIP3 O1 C -0.834000 15.9994 + 62 SYS 21 TIP3 H1 A 0.417000 1.0079 + 63 SYS 21 TIP3 H2 A 0.417000 1.0079 + 64 SYS 22 TIP3 O1 C -0.834000 15.9994 + 65 SYS 22 TIP3 H1 A 0.417000 1.0079 + 66 SYS 22 TIP3 H2 A 0.417000 1.0079 + 67 SYS 23 TIP3 O1 C -0.834000 15.9994 + 68 SYS 23 TIP3 H1 A 0.417000 1.0079 + 69 SYS 23 TIP3 H2 A 0.417000 1.0079 + 70 SYS 24 TIP3 O1 C -0.834000 15.9994 + 71 SYS 24 TIP3 H1 A 0.417000 1.0079 + 72 SYS 24 TIP3 H2 A 0.417000 1.0079 + 73 SYS 25 TIP3 O1 C -0.834000 15.9994 + 74 SYS 25 TIP3 H1 A 0.417000 1.0079 + 75 SYS 25 TIP3 H2 A 0.417000 1.0079 + 76 SYS 26 TIP3 O1 C -0.834000 15.9994 + 77 SYS 26 TIP3 H1 A 0.417000 1.0079 + 78 SYS 26 TIP3 H2 A 0.417000 1.0079 + 79 SYS 27 TIP3 O1 C -0.834000 15.9994 + 80 SYS 27 TIP3 H1 A 0.417000 1.0079 + 81 SYS 27 TIP3 H2 A 0.417000 1.0079 + 82 SYS 28 TIP3 O1 C -0.834000 15.9994 + 83 SYS 28 TIP3 H1 A 0.417000 1.0079 + 84 SYS 28 TIP3 H2 A 0.417000 1.0079 + 85 SYS 29 TIP3 O1 C -0.834000 15.9994 + 86 SYS 29 TIP3 H1 A 0.417000 1.0079 + 87 SYS 29 TIP3 H2 A 0.417000 1.0079 + 88 SYS 30 TIP3 O1 C -0.834000 15.9994 + 89 SYS 30 TIP3 H1 A 0.417000 1.0079 + 90 SYS 30 TIP3 H2 A 0.417000 1.0079 + 91 SYS 31 TIP3 O1 C -0.834000 15.9994 + 92 SYS 31 TIP3 H1 A 0.417000 1.0079 + 93 SYS 31 TIP3 H2 A 0.417000 1.0079 + 94 SYS 32 TIP3 O1 C -0.834000 15.9994 + 95 SYS 32 TIP3 H1 A 0.417000 1.0079 + 96 SYS 32 TIP3 H2 A 0.417000 1.0079 + 97 SYS 33 TIP3 O1 C -0.834000 15.9994 + 98 SYS 33 TIP3 H1 A 0.417000 1.0079 + 99 SYS 33 TIP3 H2 A 0.417000 1.0079 + 100 SYS 34 TIP3 O1 C -0.834000 15.9994 + 101 SYS 34 TIP3 H1 A 0.417000 1.0079 + 102 SYS 34 TIP3 H2 A 0.417000 1.0079 + 103 SYS 35 TIP3 O1 C -0.834000 15.9994 + 104 SYS 35 TIP3 H1 A 0.417000 1.0079 + 105 SYS 35 TIP3 H2 A 0.417000 1.0079 + 106 SYS 36 TIP3 O1 C -0.834000 15.9994 + 107 SYS 36 TIP3 H1 A 0.417000 1.0079 + 108 SYS 36 TIP3 H2 A 0.417000 1.0079 + 109 SYS 37 TIP3 O1 C -0.834000 15.9994 + 110 SYS 37 TIP3 H1 A 0.417000 1.0079 + 111 SYS 37 TIP3 H2 A 0.417000 1.0079 + 112 SYS 38 TIP3 O1 C -0.834000 15.9994 + 113 SYS 38 TIP3 H1 A 0.417000 1.0079 + 114 SYS 38 TIP3 H2 A 0.417000 1.0079 + 115 SYS 39 TIP3 O1 C -0.834000 15.9994 + 116 SYS 39 TIP3 H1 A 0.417000 1.0079 + 117 SYS 39 TIP3 H2 A 0.417000 1.0079 + 118 SYS 40 TIP3 O1 C -0.834000 15.9994 + 119 SYS 40 TIP3 H1 A 0.417000 1.0079 + 120 SYS 40 TIP3 H2 A 0.417000 1.0079 + 121 SYS 41 TIP3 O1 C -0.834000 15.9994 + 122 SYS 41 TIP3 H1 A 0.417000 1.0079 + 123 SYS 41 TIP3 H2 A 0.417000 1.0079 + 124 SYS 42 TIP3 O1 C -0.834000 15.9994 + 125 SYS 42 TIP3 H1 A 0.417000 1.0079 + 126 SYS 42 TIP3 H2 A 0.417000 1.0079 + 127 SYS 43 TIP3 O1 C -0.834000 15.9994 + 128 SYS 43 TIP3 H1 A 0.417000 1.0079 + 129 SYS 43 TIP3 H2 A 0.417000 1.0079 + 130 SYS 44 TIP3 O1 C -0.834000 15.9994 + 131 SYS 44 TIP3 H1 A 0.417000 1.0079 + 132 SYS 44 TIP3 H2 A 0.417000 1.0079 + 133 SYS 45 TIP3 O1 C -0.834000 15.9994 + 134 SYS 45 TIP3 H1 A 0.417000 1.0079 + 135 SYS 45 TIP3 H2 A 0.417000 1.0079 + 136 SYS 46 TIP3 O1 C -0.834000 15.9994 + 137 SYS 46 TIP3 H1 A 0.417000 1.0079 + 138 SYS 46 TIP3 H2 A 0.417000 1.0079 + 139 SYS 47 TIP3 O1 C -0.834000 15.9994 + 140 SYS 47 TIP3 H1 A 0.417000 1.0079 + 141 SYS 47 TIP3 H2 A 0.417000 1.0079 + 142 SYS 48 TIP3 O1 C -0.834000 15.9994 + 143 SYS 48 TIP3 H1 A 0.417000 1.0079 + 144 SYS 48 TIP3 H2 A 0.417000 1.0079 + 145 SYS 49 TIP3 O1 C -0.834000 15.9994 + 146 SYS 49 TIP3 H1 A 0.417000 1.0079 + 147 SYS 49 TIP3 H2 A 0.417000 1.0079 + 148 SYS 50 TIP3 O1 C -0.834000 15.9994 + 149 SYS 50 TIP3 H1 A 0.417000 1.0079 + 150 SYS 50 TIP3 H2 A 0.417000 1.0079 + 151 SYS 51 TIP3 O1 C -0.834000 15.9994 + 152 SYS 51 TIP3 H1 A 0.417000 1.0079 + 153 SYS 51 TIP3 H2 A 0.417000 1.0079 + 154 SYS 52 TIP3 O1 C -0.834000 15.9994 + 155 SYS 52 TIP3 H1 A 0.417000 1.0079 + 156 SYS 52 TIP3 H2 A 0.417000 1.0079 + 157 SYS 53 TIP3 O1 C -0.834000 15.9994 + 158 SYS 53 TIP3 H1 A 0.417000 1.0079 + 159 SYS 53 TIP3 H2 A 0.417000 1.0079 + 160 SYS 54 TIP3 O1 C -0.834000 15.9994 + 161 SYS 54 TIP3 H1 A 0.417000 1.0079 + 162 SYS 54 TIP3 H2 A 0.417000 1.0079 + 163 SYS 55 TIP3 O1 C -0.834000 15.9994 + 164 SYS 55 TIP3 H1 A 0.417000 1.0079 + 165 SYS 55 TIP3 H2 A 0.417000 1.0079 + 166 SYS 56 TIP3 O1 C -0.834000 15.9994 + 167 SYS 56 TIP3 H1 A 0.417000 1.0079 + 168 SYS 56 TIP3 H2 A 0.417000 1.0079 + 169 SYS 57 TIP3 O1 C -0.834000 15.9994 + 170 SYS 57 TIP3 H1 A 0.417000 1.0079 + 171 SYS 57 TIP3 H2 A 0.417000 1.0079 + 172 SYS 58 TIP3 O1 C -0.834000 15.9994 + 173 SYS 58 TIP3 H1 A 0.417000 1.0079 + 174 SYS 58 TIP3 H2 A 0.417000 1.0079 + 175 SYS 59 TIP3 O1 C -0.834000 15.9994 + 176 SYS 59 TIP3 H1 A 0.417000 1.0079 + 177 SYS 59 TIP3 H2 A 0.417000 1.0079 + 178 SYS 60 TIP3 O1 C -0.834000 15.9994 + 179 SYS 60 TIP3 H1 A 0.417000 1.0079 + 180 SYS 60 TIP3 H2 A 0.417000 1.0079 + 181 SYS 61 TIP3 O1 C -0.834000 15.9994 + 182 SYS 61 TIP3 H1 A 0.417000 1.0079 + 183 SYS 61 TIP3 H2 A 0.417000 1.0079 + 184 SYS 62 TIP3 O1 C -0.834000 15.9994 + 185 SYS 62 TIP3 H1 A 0.417000 1.0079 + 186 SYS 62 TIP3 H2 A 0.417000 1.0079 + 187 SYS 63 TIP3 O1 C -0.834000 15.9994 + 188 SYS 63 TIP3 H1 A 0.417000 1.0079 + 189 SYS 63 TIP3 H2 A 0.417000 1.0079 + 190 SYS 64 TIP3 O1 C -0.834000 15.9994 + 191 SYS 64 TIP3 H1 A 0.417000 1.0079 + 192 SYS 64 TIP3 H2 A 0.417000 1.0079 + 193 SYS 65 TIP3 O1 C -0.834000 15.9994 + 194 SYS 65 TIP3 H1 A 0.417000 1.0079 + 195 SYS 65 TIP3 H2 A 0.417000 1.0079 + 196 SYS 66 TIP3 O1 C -0.834000 15.9994 + 197 SYS 66 TIP3 H1 A 0.417000 1.0079 + 198 SYS 66 TIP3 H2 A 0.417000 1.0079 + 199 SYS 67 TIP3 O1 C -0.834000 15.9994 + 200 SYS 67 TIP3 H1 A 0.417000 1.0079 + 201 SYS 67 TIP3 H2 A 0.417000 1.0079 + 202 SYS 68 TIP3 O1 C -0.834000 15.9994 + 203 SYS 68 TIP3 H1 A 0.417000 1.0079 + 204 SYS 68 TIP3 H2 A 0.417000 1.0079 + 205 SYS 69 TIP3 O1 C -0.834000 15.9994 + 206 SYS 69 TIP3 H1 A 0.417000 1.0079 + 207 SYS 69 TIP3 H2 A 0.417000 1.0079 + 208 SYS 70 TIP3 O1 C -0.834000 15.9994 + 209 SYS 70 TIP3 H1 A 0.417000 1.0079 + 210 SYS 70 TIP3 H2 A 0.417000 1.0079 + 211 SYS 71 TIP3 O1 C -0.834000 15.9994 + 212 SYS 71 TIP3 H1 A 0.417000 1.0079 + 213 SYS 71 TIP3 H2 A 0.417000 1.0079 + 214 SYS 72 TIP3 O1 C -0.834000 15.9994 + 215 SYS 72 TIP3 H1 A 0.417000 1.0079 + 216 SYS 72 TIP3 H2 A 0.417000 1.0079 + 217 SYS 73 TIP3 O1 C -0.834000 15.9994 + 218 SYS 73 TIP3 H1 A 0.417000 1.0079 + 219 SYS 73 TIP3 H2 A 0.417000 1.0079 + 220 SYS 74 TIP3 O1 C -0.834000 15.9994 + 221 SYS 74 TIP3 H1 A 0.417000 1.0079 + 222 SYS 74 TIP3 H2 A 0.417000 1.0079 + 223 SYS 75 TIP3 O1 C -0.834000 15.9994 + 224 SYS 75 TIP3 H1 A 0.417000 1.0079 + 225 SYS 75 TIP3 H2 A 0.417000 1.0079 + 226 SYS 76 TIP3 O1 C -0.834000 15.9994 + 227 SYS 76 TIP3 H1 A 0.417000 1.0079 + 228 SYS 76 TIP3 H2 A 0.417000 1.0079 + 229 SYS 77 TIP3 O1 C -0.834000 15.9994 + 230 SYS 77 TIP3 H1 A 0.417000 1.0079 + 231 SYS 77 TIP3 H2 A 0.417000 1.0079 + 232 SYS 78 TIP3 O1 C -0.834000 15.9994 + 233 SYS 78 TIP3 H1 A 0.417000 1.0079 + 234 SYS 78 TIP3 H2 A 0.417000 1.0079 + 235 SYS 79 TIP3 O1 C -0.834000 15.9994 + 236 SYS 79 TIP3 H1 A 0.417000 1.0079 + 237 SYS 79 TIP3 H2 A 0.417000 1.0079 + 238 SYS 80 TIP3 O1 C -0.834000 15.9994 + 239 SYS 80 TIP3 H1 A 0.417000 1.0079 + 240 SYS 80 TIP3 H2 A 0.417000 1.0079 + 241 SYS 81 TIP3 O1 C -0.834000 15.9994 + 242 SYS 81 TIP3 H1 A 0.417000 1.0079 + 243 SYS 81 TIP3 H2 A 0.417000 1.0079 + 244 SYS 82 TIP3 O1 C -0.834000 15.9994 + 245 SYS 82 TIP3 H1 A 0.417000 1.0079 + 246 SYS 82 TIP3 H2 A 0.417000 1.0079 + 247 SYS 83 TIP3 O1 C -0.834000 15.9994 + 248 SYS 83 TIP3 H1 A 0.417000 1.0079 + 249 SYS 83 TIP3 H2 A 0.417000 1.0079 + 250 SYS 84 TIP3 O1 C -0.834000 15.9994 + 251 SYS 84 TIP3 H1 A 0.417000 1.0079 + 252 SYS 84 TIP3 H2 A 0.417000 1.0079 + 253 SYS 85 TIP3 O1 C -0.834000 15.9994 + 254 SYS 85 TIP3 H1 A 0.417000 1.0079 + 255 SYS 85 TIP3 H2 A 0.417000 1.0079 + 256 SYS 86 TIP3 O1 C -0.834000 15.9994 + 257 SYS 86 TIP3 H1 A 0.417000 1.0079 + 258 SYS 86 TIP3 H2 A 0.417000 1.0079 + 259 SYS 87 TIP3 O1 C -0.834000 15.9994 + 260 SYS 87 TIP3 H1 A 0.417000 1.0079 + 261 SYS 87 TIP3 H2 A 0.417000 1.0079 + 262 SYS 88 TIP3 O1 C -0.834000 15.9994 + 263 SYS 88 TIP3 H1 A 0.417000 1.0079 + 264 SYS 88 TIP3 H2 A 0.417000 1.0079 + 265 SYS 89 TIP3 O1 C -0.834000 15.9994 + 266 SYS 89 TIP3 H1 A 0.417000 1.0079 + 267 SYS 89 TIP3 H2 A 0.417000 1.0079 + 268 SYS 90 TIP3 O1 C -0.834000 15.9994 + 269 SYS 90 TIP3 H1 A 0.417000 1.0079 + 270 SYS 90 TIP3 H2 A 0.417000 1.0079 + 271 SYS 91 TIP3 O1 C -0.834000 15.9994 + 272 SYS 91 TIP3 H1 A 0.417000 1.0079 + 273 SYS 91 TIP3 H2 A 0.417000 1.0079 + 274 SYS 92 TIP3 O1 C -0.834000 15.9994 + 275 SYS 92 TIP3 H1 A 0.417000 1.0079 + 276 SYS 92 TIP3 H2 A 0.417000 1.0079 + 277 SYS 93 TIP3 O1 C -0.834000 15.9994 + 278 SYS 93 TIP3 H1 A 0.417000 1.0079 + 279 SYS 93 TIP3 H2 A 0.417000 1.0079 + 280 SYS 94 TIP3 O1 C -0.834000 15.9994 + 281 SYS 94 TIP3 H1 A 0.417000 1.0079 + 282 SYS 94 TIP3 H2 A 0.417000 1.0079 + 283 SYS 95 TIP3 O1 C -0.834000 15.9994 + 284 SYS 95 TIP3 H1 A 0.417000 1.0079 + 285 SYS 95 TIP3 H2 A 0.417000 1.0079 + 286 SYS 96 TIP3 O1 C -0.834000 15.9994 + 287 SYS 96 TIP3 H1 A 0.417000 1.0079 + 288 SYS 96 TIP3 H2 A 0.417000 1.0079 + 289 SYS 97 TIP3 O1 C -0.834000 15.9994 + 290 SYS 97 TIP3 H1 A 0.417000 1.0079 + 291 SYS 97 TIP3 H2 A 0.417000 1.0079 + 292 SYS 98 TIP3 O1 C -0.834000 15.9994 + 293 SYS 98 TIP3 H1 A 0.417000 1.0079 + 294 SYS 98 TIP3 H2 A 0.417000 1.0079 + 295 SYS 99 TIP3 O1 C -0.834000 15.9994 + 296 SYS 99 TIP3 H1 A 0.417000 1.0079 + 297 SYS 99 TIP3 H2 A 0.417000 1.0079 + 298 SYS 100 TIP3 O1 C -0.834000 15.9994 + 299 SYS 100 TIP3 H1 A 0.417000 1.0079 + 300 SYS 100 TIP3 H2 A 0.417000 1.0079 + 301 SYS 101 TIP3 O1 C -0.834000 15.9994 + 302 SYS 101 TIP3 H1 A 0.417000 1.0079 + 303 SYS 101 TIP3 H2 A 0.417000 1.0079 + 304 SYS 102 TIP3 O1 C -0.834000 15.9994 + 305 SYS 102 TIP3 H1 A 0.417000 1.0079 + 306 SYS 102 TIP3 H2 A 0.417000 1.0079 + 307 SYS 103 TIP3 O1 C -0.834000 15.9994 + 308 SYS 103 TIP3 H1 A 0.417000 1.0079 + 309 SYS 103 TIP3 H2 A 0.417000 1.0079 + 310 SYS 104 TIP3 O1 C -0.834000 15.9994 + 311 SYS 104 TIP3 H1 A 0.417000 1.0079 + 312 SYS 104 TIP3 H2 A 0.417000 1.0079 + 313 SYS 105 TIP3 O1 C -0.834000 15.9994 + 314 SYS 105 TIP3 H1 A 0.417000 1.0079 + 315 SYS 105 TIP3 H2 A 0.417000 1.0079 + 316 SYS 106 TIP3 O1 C -0.834000 15.9994 + 317 SYS 106 TIP3 H1 A 0.417000 1.0079 + 318 SYS 106 TIP3 H2 A 0.417000 1.0079 + 319 SYS 107 TIP3 O1 C -0.834000 15.9994 + 320 SYS 107 TIP3 H1 A 0.417000 1.0079 + 321 SYS 107 TIP3 H2 A 0.417000 1.0079 + 322 SYS 108 TIP3 O1 C -0.834000 15.9994 + 323 SYS 108 TIP3 H1 A 0.417000 1.0079 + 324 SYS 108 TIP3 H2 A 0.417000 1.0079 + 325 SYS 109 TIP3 O1 C -0.834000 15.9994 + 326 SYS 109 TIP3 H1 A 0.417000 1.0079 + 327 SYS 109 TIP3 H2 A 0.417000 1.0079 + 328 SYS 110 TIP3 O1 C -0.834000 15.9994 + 329 SYS 110 TIP3 H1 A 0.417000 1.0079 + 330 SYS 110 TIP3 H2 A 0.417000 1.0079 + 331 SYS 111 TIP3 O1 C -0.834000 15.9994 + 332 SYS 111 TIP3 H1 A 0.417000 1.0079 + 333 SYS 111 TIP3 H2 A 0.417000 1.0079 + 334 SYS 112 TIP3 O1 C -0.834000 15.9994 + 335 SYS 112 TIP3 H1 A 0.417000 1.0079 + 336 SYS 112 TIP3 H2 A 0.417000 1.0079 + 337 SYS 113 TIP3 O1 C -0.834000 15.9994 + 338 SYS 113 TIP3 H1 A 0.417000 1.0079 + 339 SYS 113 TIP3 H2 A 0.417000 1.0079 + 340 SYS 114 TIP3 O1 C -0.834000 15.9994 + 341 SYS 114 TIP3 H1 A 0.417000 1.0079 + 342 SYS 114 TIP3 H2 A 0.417000 1.0079 + 343 SYS 115 TIP3 O1 C -0.834000 15.9994 + 344 SYS 115 TIP3 H1 A 0.417000 1.0079 + 345 SYS 115 TIP3 H2 A 0.417000 1.0079 + 346 SYS 116 TIP3 O1 C -0.834000 15.9994 + 347 SYS 116 TIP3 H1 A 0.417000 1.0079 + 348 SYS 116 TIP3 H2 A 0.417000 1.0079 + 349 SYS 117 TIP3 O1 C -0.834000 15.9994 + 350 SYS 117 TIP3 H1 A 0.417000 1.0079 + 351 SYS 117 TIP3 H2 A 0.417000 1.0079 + 352 SYS 118 TIP3 O1 C -0.834000 15.9994 + 353 SYS 118 TIP3 H1 A 0.417000 1.0079 + 354 SYS 118 TIP3 H2 A 0.417000 1.0079 + 355 SYS 119 TIP3 O1 C -0.834000 15.9994 + 356 SYS 119 TIP3 H1 A 0.417000 1.0079 + 357 SYS 119 TIP3 H2 A 0.417000 1.0079 + 358 SYS 120 TIP3 O1 C -0.834000 15.9994 + 359 SYS 120 TIP3 H1 A 0.417000 1.0079 + 360 SYS 120 TIP3 H2 A 0.417000 1.0079 + 361 SYS 121 TIP3 O1 C -0.834000 15.9994 + 362 SYS 121 TIP3 H1 A 0.417000 1.0079 + 363 SYS 121 TIP3 H2 A 0.417000 1.0079 + 364 SYS 122 TIP3 O1 C -0.834000 15.9994 + 365 SYS 122 TIP3 H1 A 0.417000 1.0079 + 366 SYS 122 TIP3 H2 A 0.417000 1.0079 + 367 SYS 123 TIP3 O1 C -0.834000 15.9994 + 368 SYS 123 TIP3 H1 A 0.417000 1.0079 + 369 SYS 123 TIP3 H2 A 0.417000 1.0079 + 370 SYS 124 TIP3 O1 C -0.834000 15.9994 + 371 SYS 124 TIP3 H1 A 0.417000 1.0079 + 372 SYS 124 TIP3 H2 A 0.417000 1.0079 + 373 SYS 125 TIP3 O1 C -0.834000 15.9994 + 374 SYS 125 TIP3 H1 A 0.417000 1.0079 + 375 SYS 125 TIP3 H2 A 0.417000 1.0079 + 376 SYS 126 TIP3 O1 C -0.834000 15.9994 + 377 SYS 126 TIP3 H1 A 0.417000 1.0079 + 378 SYS 126 TIP3 H2 A 0.417000 1.0079 + 379 SYS 127 TIP3 O1 C -0.834000 15.9994 + 380 SYS 127 TIP3 H1 A 0.417000 1.0079 + 381 SYS 127 TIP3 H2 A 0.417000 1.0079 + 382 SYS 128 TIP3 O1 C -0.834000 15.9994 + 383 SYS 128 TIP3 H1 A 0.417000 1.0079 + 384 SYS 128 TIP3 H2 A 0.417000 1.0079 + 385 SYS 129 TIP3 O1 C -0.834000 15.9994 + 386 SYS 129 TIP3 H1 A 0.417000 1.0079 + 387 SYS 129 TIP3 H2 A 0.417000 1.0079 + 388 SYS 130 TIP3 O1 C -0.834000 15.9994 + 389 SYS 130 TIP3 H1 A 0.417000 1.0079 + 390 SYS 130 TIP3 H2 A 0.417000 1.0079 + 391 SYS 131 TIP3 O1 C -0.834000 15.9994 + 392 SYS 131 TIP3 H1 A 0.417000 1.0079 + 393 SYS 131 TIP3 H2 A 0.417000 1.0079 + 394 SYS 132 TIP3 O1 C -0.834000 15.9994 + 395 SYS 132 TIP3 H1 A 0.417000 1.0079 + 396 SYS 132 TIP3 H2 A 0.417000 1.0079 + 397 SYS 133 TIP3 O1 C -0.834000 15.9994 + 398 SYS 133 TIP3 H1 A 0.417000 1.0079 + 399 SYS 133 TIP3 H2 A 0.417000 1.0079 + 400 SYS 134 TIP3 O1 C -0.834000 15.9994 + 401 SYS 134 TIP3 H1 A 0.417000 1.0079 + 402 SYS 134 TIP3 H2 A 0.417000 1.0079 + 403 SYS 135 TIP3 O1 C -0.834000 15.9994 + 404 SYS 135 TIP3 H1 A 0.417000 1.0079 + 405 SYS 135 TIP3 H2 A 0.417000 1.0079 + 406 SYS 136 TIP3 O1 C -0.834000 15.9994 + 407 SYS 136 TIP3 H1 A 0.417000 1.0079 + 408 SYS 136 TIP3 H2 A 0.417000 1.0079 + 409 SYS 137 TIP3 O1 C -0.834000 15.9994 + 410 SYS 137 TIP3 H1 A 0.417000 1.0079 + 411 SYS 137 TIP3 H2 A 0.417000 1.0079 + 412 SYS 138 TIP3 O1 C -0.834000 15.9994 + 413 SYS 138 TIP3 H1 A 0.417000 1.0079 + 414 SYS 138 TIP3 H2 A 0.417000 1.0079 + 415 SYS 139 TIP3 O1 C -0.834000 15.9994 + 416 SYS 139 TIP3 H1 A 0.417000 1.0079 + 417 SYS 139 TIP3 H2 A 0.417000 1.0079 + 418 SYS 140 TIP3 O1 C -0.834000 15.9994 + 419 SYS 140 TIP3 H1 A 0.417000 1.0079 + 420 SYS 140 TIP3 H2 A 0.417000 1.0079 + 421 SYS 141 TIP3 O1 C -0.834000 15.9994 + 422 SYS 141 TIP3 H1 A 0.417000 1.0079 + 423 SYS 141 TIP3 H2 A 0.417000 1.0079 + 424 SYS 142 TIP3 O1 C -0.834000 15.9994 + 425 SYS 142 TIP3 H1 A 0.417000 1.0079 + 426 SYS 142 TIP3 H2 A 0.417000 1.0079 + 427 SYS 143 TIP3 O1 C -0.834000 15.9994 + 428 SYS 143 TIP3 H1 A 0.417000 1.0079 + 429 SYS 143 TIP3 H2 A 0.417000 1.0079 + 430 SYS 144 TIP3 O1 C -0.834000 15.9994 + 431 SYS 144 TIP3 H1 A 0.417000 1.0079 + 432 SYS 144 TIP3 H2 A 0.417000 1.0079 + 433 SYS 145 TIP3 O1 C -0.834000 15.9994 + 434 SYS 145 TIP3 H1 A 0.417000 1.0079 + 435 SYS 145 TIP3 H2 A 0.417000 1.0079 + 436 SYS 146 TIP3 O1 C -0.834000 15.9994 + 437 SYS 146 TIP3 H1 A 0.417000 1.0079 + 438 SYS 146 TIP3 H2 A 0.417000 1.0079 + 439 SYS 147 TIP3 O1 C -0.834000 15.9994 + 440 SYS 147 TIP3 H1 A 0.417000 1.0079 + 441 SYS 147 TIP3 H2 A 0.417000 1.0079 + 442 SYS 148 TIP3 O1 C -0.834000 15.9994 + 443 SYS 148 TIP3 H1 A 0.417000 1.0079 + 444 SYS 148 TIP3 H2 A 0.417000 1.0079 + 445 SYS 149 TIP3 O1 C -0.834000 15.9994 + 446 SYS 149 TIP3 H1 A 0.417000 1.0079 + 447 SYS 149 TIP3 H2 A 0.417000 1.0079 + 448 SYS 150 TIP3 O1 C -0.834000 15.9994 + 449 SYS 150 TIP3 H1 A 0.417000 1.0079 + 450 SYS 150 TIP3 H2 A 0.417000 1.0079 + 451 SYS 151 TIP3 O1 C -0.834000 15.9994 + 452 SYS 151 TIP3 H1 A 0.417000 1.0079 + 453 SYS 151 TIP3 H2 A 0.417000 1.0079 + 454 SYS 152 TIP3 O1 C -0.834000 15.9994 + 455 SYS 152 TIP3 H1 A 0.417000 1.0079 + 456 SYS 152 TIP3 H2 A 0.417000 1.0079 + 457 SYS 153 TIP3 O1 C -0.834000 15.9994 + 458 SYS 153 TIP3 H1 A 0.417000 1.0079 + 459 SYS 153 TIP3 H2 A 0.417000 1.0079 + 460 SYS 154 TIP3 O1 C -0.834000 15.9994 + 461 SYS 154 TIP3 H1 A 0.417000 1.0079 + 462 SYS 154 TIP3 H2 A 0.417000 1.0079 + 463 SYS 155 TIP3 O1 C -0.834000 15.9994 + 464 SYS 155 TIP3 H1 A 0.417000 1.0079 + 465 SYS 155 TIP3 H2 A 0.417000 1.0079 + 466 SYS 156 TIP3 O1 C -0.834000 15.9994 + 467 SYS 156 TIP3 H1 A 0.417000 1.0079 + 468 SYS 156 TIP3 H2 A 0.417000 1.0079 + 469 SYS 157 TIP3 O1 C -0.834000 15.9994 + 470 SYS 157 TIP3 H1 A 0.417000 1.0079 + 471 SYS 157 TIP3 H2 A 0.417000 1.0079 + 472 SYS 158 TIP3 O1 C -0.834000 15.9994 + 473 SYS 158 TIP3 H1 A 0.417000 1.0079 + 474 SYS 158 TIP3 H2 A 0.417000 1.0079 + 475 SYS 159 TIP3 O1 C -0.834000 15.9994 + 476 SYS 159 TIP3 H1 A 0.417000 1.0079 + 477 SYS 159 TIP3 H2 A 0.417000 1.0079 + 478 SYS 160 TIP3 O1 C -0.834000 15.9994 + 479 SYS 160 TIP3 H1 A 0.417000 1.0079 + 480 SYS 160 TIP3 H2 A 0.417000 1.0079 + 481 SYS 161 TIP3 O1 C -0.834000 15.9994 + 482 SYS 161 TIP3 H1 A 0.417000 1.0079 + 483 SYS 161 TIP3 H2 A 0.417000 1.0079 + 484 SYS 162 TIP3 O1 C -0.834000 15.9994 + 485 SYS 162 TIP3 H1 A 0.417000 1.0079 + 486 SYS 162 TIP3 H2 A 0.417000 1.0079 + 487 SYS 163 TIP3 O1 C -0.834000 15.9994 + 488 SYS 163 TIP3 H1 A 0.417000 1.0079 + 489 SYS 163 TIP3 H2 A 0.417000 1.0079 + 490 SYS 164 TIP3 O1 C -0.834000 15.9994 + 491 SYS 164 TIP3 H1 A 0.417000 1.0079 + 492 SYS 164 TIP3 H2 A 0.417000 1.0079 + 493 SYS 165 TIP3 O1 C -0.834000 15.9994 + 494 SYS 165 TIP3 H1 A 0.417000 1.0079 + 495 SYS 165 TIP3 H2 A 0.417000 1.0079 + 496 SYS 166 TIP3 O1 C -0.834000 15.9994 + 497 SYS 166 TIP3 H1 A 0.417000 1.0079 + 498 SYS 166 TIP3 H2 A 0.417000 1.0079 + 499 SYS 167 TIP3 O1 C -0.834000 15.9994 + 500 SYS 167 TIP3 H1 A 0.417000 1.0079 + 501 SYS 167 TIP3 H2 A 0.417000 1.0079 + 502 SYS 168 TIP3 O1 C -0.834000 15.9994 + 503 SYS 168 TIP3 H1 A 0.417000 1.0079 + 504 SYS 168 TIP3 H2 A 0.417000 1.0079 + 505 SYS 169 TIP3 O1 C -0.834000 15.9994 + 506 SYS 169 TIP3 H1 A 0.417000 1.0079 + 507 SYS 169 TIP3 H2 A 0.417000 1.0079 + 508 SYS 170 TIP3 O1 C -0.834000 15.9994 + 509 SYS 170 TIP3 H1 A 0.417000 1.0079 + 510 SYS 170 TIP3 H2 A 0.417000 1.0079 + 511 SYS 171 TIP3 O1 C -0.834000 15.9994 + 512 SYS 171 TIP3 H1 A 0.417000 1.0079 + 513 SYS 171 TIP3 H2 A 0.417000 1.0079 + 514 SYS 172 TIP3 O1 C -0.834000 15.9994 + 515 SYS 172 TIP3 H1 A 0.417000 1.0079 + 516 SYS 172 TIP3 H2 A 0.417000 1.0079 + 517 SYS 173 TIP3 O1 C -0.834000 15.9994 + 518 SYS 173 TIP3 H1 A 0.417000 1.0079 + 519 SYS 173 TIP3 H2 A 0.417000 1.0079 + 520 SYS 174 TIP3 O1 C -0.834000 15.9994 + 521 SYS 174 TIP3 H1 A 0.417000 1.0079 + 522 SYS 174 TIP3 H2 A 0.417000 1.0079 + 523 SYS 175 TIP3 O1 C -0.834000 15.9994 + 524 SYS 175 TIP3 H1 A 0.417000 1.0079 + 525 SYS 175 TIP3 H2 A 0.417000 1.0079 + 526 SYS 176 TIP3 O1 C -0.834000 15.9994 + 527 SYS 176 TIP3 H1 A 0.417000 1.0079 + 528 SYS 176 TIP3 H2 A 0.417000 1.0079 + 529 SYS 177 TIP3 O1 C -0.834000 15.9994 + 530 SYS 177 TIP3 H1 A 0.417000 1.0079 + 531 SYS 177 TIP3 H2 A 0.417000 1.0079 + 532 SYS 178 TIP3 O1 C -0.834000 15.9994 + 533 SYS 178 TIP3 H1 A 0.417000 1.0079 + 534 SYS 178 TIP3 H2 A 0.417000 1.0079 + 535 SYS 179 TIP3 O1 C -0.834000 15.9994 + 536 SYS 179 TIP3 H1 A 0.417000 1.0079 + 537 SYS 179 TIP3 H2 A 0.417000 1.0079 + 538 SYS 180 TIP3 O1 C -0.834000 15.9994 + 539 SYS 180 TIP3 H1 A 0.417000 1.0079 + 540 SYS 180 TIP3 H2 A 0.417000 1.0079 + 541 SYS 181 TIP3 O1 C -0.834000 15.9994 + 542 SYS 181 TIP3 H1 A 0.417000 1.0079 + 543 SYS 181 TIP3 H2 A 0.417000 1.0079 + 544 SYS 182 TIP3 O1 C -0.834000 15.9994 + 545 SYS 182 TIP3 H1 A 0.417000 1.0079 + 546 SYS 182 TIP3 H2 A 0.417000 1.0079 + 547 SYS 183 TIP3 O1 C -0.834000 15.9994 + 548 SYS 183 TIP3 H1 A 0.417000 1.0079 + 549 SYS 183 TIP3 H2 A 0.417000 1.0079 + 550 SYS 184 TIP3 O1 C -0.834000 15.9994 + 551 SYS 184 TIP3 H1 A 0.417000 1.0079 + 552 SYS 184 TIP3 H2 A 0.417000 1.0079 + 553 SYS 185 TIP3 O1 C -0.834000 15.9994 + 554 SYS 185 TIP3 H1 A 0.417000 1.0079 + 555 SYS 185 TIP3 H2 A 0.417000 1.0079 + 556 SYS 186 TIP3 O1 C -0.834000 15.9994 + 557 SYS 186 TIP3 H1 A 0.417000 1.0079 + 558 SYS 186 TIP3 H2 A 0.417000 1.0079 + 559 SYS 187 TIP3 O1 C -0.834000 15.9994 + 560 SYS 187 TIP3 H1 A 0.417000 1.0079 + 561 SYS 187 TIP3 H2 A 0.417000 1.0079 + 562 SYS 188 TIP3 O1 C -0.834000 15.9994 + 563 SYS 188 TIP3 H1 A 0.417000 1.0079 + 564 SYS 188 TIP3 H2 A 0.417000 1.0079 + 565 SYS 189 TIP3 O1 C -0.834000 15.9994 + 566 SYS 189 TIP3 H1 A 0.417000 1.0079 + 567 SYS 189 TIP3 H2 A 0.417000 1.0079 + 568 SYS 190 TIP3 O1 C -0.834000 15.9994 + 569 SYS 190 TIP3 H1 A 0.417000 1.0079 + 570 SYS 190 TIP3 H2 A 0.417000 1.0079 + 571 SYS 191 TIP3 O1 C -0.834000 15.9994 + 572 SYS 191 TIP3 H1 A 0.417000 1.0079 + 573 SYS 191 TIP3 H2 A 0.417000 1.0079 + 574 SYS 192 TIP3 O1 C -0.834000 15.9994 + 575 SYS 192 TIP3 H1 A 0.417000 1.0079 + 576 SYS 192 TIP3 H2 A 0.417000 1.0079 + 577 SYS 193 TIP3 O1 C -0.834000 15.9994 + 578 SYS 193 TIP3 H1 A 0.417000 1.0079 + 579 SYS 193 TIP3 H2 A 0.417000 1.0079 + 580 SYS 194 TIP3 O1 C -0.834000 15.9994 + 581 SYS 194 TIP3 H1 A 0.417000 1.0079 + 582 SYS 194 TIP3 H2 A 0.417000 1.0079 + 583 SYS 195 TIP3 O1 C -0.834000 15.9994 + 584 SYS 195 TIP3 H1 A 0.417000 1.0079 + 585 SYS 195 TIP3 H2 A 0.417000 1.0079 + 586 SYS 196 TIP3 O1 C -0.834000 15.9994 + 587 SYS 196 TIP3 H1 A 0.417000 1.0079 + 588 SYS 196 TIP3 H2 A 0.417000 1.0079 + 589 SYS 197 TIP3 O1 C -0.834000 15.9994 + 590 SYS 197 TIP3 H1 A 0.417000 1.0079 + 591 SYS 197 TIP3 H2 A 0.417000 1.0079 + 592 SYS 198 TIP3 O1 C -0.834000 15.9994 + 593 SYS 198 TIP3 H1 A 0.417000 1.0079 + 594 SYS 198 TIP3 H2 A 0.417000 1.0079 + 595 SYS 199 TIP3 O1 C -0.834000 15.9994 + 596 SYS 199 TIP3 H1 A 0.417000 1.0079 + 597 SYS 199 TIP3 H2 A 0.417000 1.0079 + 598 SYS 200 TIP3 O1 C -0.834000 15.9994 + 599 SYS 200 TIP3 H1 A 0.417000 1.0079 + 600 SYS 200 TIP3 H2 A 0.417000 1.0079 + 601 SYS 201 TIP3 O1 C -0.834000 15.9994 + 602 SYS 201 TIP3 H1 A 0.417000 1.0079 + 603 SYS 201 TIP3 H2 A 0.417000 1.0079 + 604 SYS 202 TIP3 O1 C -0.834000 15.9994 + 605 SYS 202 TIP3 H1 A 0.417000 1.0079 + 606 SYS 202 TIP3 H2 A 0.417000 1.0079 + 607 SYS 203 TIP3 O1 C -0.834000 15.9994 + 608 SYS 203 TIP3 H1 A 0.417000 1.0079 + 609 SYS 203 TIP3 H2 A 0.417000 1.0079 + 610 SYS 204 TIP3 O1 C -0.834000 15.9994 + 611 SYS 204 TIP3 H1 A 0.417000 1.0079 + 612 SYS 204 TIP3 H2 A 0.417000 1.0079 + 613 SYS 205 TIP3 O1 C -0.834000 15.9994 + 614 SYS 205 TIP3 H1 A 0.417000 1.0079 + 615 SYS 205 TIP3 H2 A 0.417000 1.0079 + 616 SYS 206 TIP3 O1 C -0.834000 15.9994 + 617 SYS 206 TIP3 H1 A 0.417000 1.0079 + 618 SYS 206 TIP3 H2 A 0.417000 1.0079 + 619 SYS 207 TIP3 O1 C -0.834000 15.9994 + 620 SYS 207 TIP3 H1 A 0.417000 1.0079 + 621 SYS 207 TIP3 H2 A 0.417000 1.0079 + 622 SYS 208 TIP3 O1 C -0.834000 15.9994 + 623 SYS 208 TIP3 H1 A 0.417000 1.0079 + 624 SYS 208 TIP3 H2 A 0.417000 1.0079 + 625 SYS 209 TIP3 O1 C -0.834000 15.9994 + 626 SYS 209 TIP3 H1 A 0.417000 1.0079 + 627 SYS 209 TIP3 H2 A 0.417000 1.0079 + 628 SYS 210 TIP3 O1 C -0.834000 15.9994 + 629 SYS 210 TIP3 H1 A 0.417000 1.0079 + 630 SYS 210 TIP3 H2 A 0.417000 1.0079 + 631 SYS 211 TIP3 O1 C -0.834000 15.9994 + 632 SYS 211 TIP3 H1 A 0.417000 1.0079 + 633 SYS 211 TIP3 H2 A 0.417000 1.0079 + 634 SYS 212 TIP3 O1 C -0.834000 15.9994 + 635 SYS 212 TIP3 H1 A 0.417000 1.0079 + 636 SYS 212 TIP3 H2 A 0.417000 1.0079 + 637 SYS 213 TIP3 O1 C -0.834000 15.9994 + 638 SYS 213 TIP3 H1 A 0.417000 1.0079 + 639 SYS 213 TIP3 H2 A 0.417000 1.0079 + 640 SYS 214 TIP3 O1 C -0.834000 15.9994 + 641 SYS 214 TIP3 H1 A 0.417000 1.0079 + 642 SYS 214 TIP3 H2 A 0.417000 1.0079 + 643 SYS 215 TIP3 O1 C -0.834000 15.9994 + 644 SYS 215 TIP3 H1 A 0.417000 1.0079 + 645 SYS 215 TIP3 H2 A 0.417000 1.0079 + 646 SYS 216 TIP3 O1 C -0.834000 15.9994 + 647 SYS 216 TIP3 H1 A 0.417000 1.0079 + 648 SYS 216 TIP3 H2 A 0.417000 1.0079 + 649 SYS 217 TIP3 O1 C -0.834000 15.9994 + 650 SYS 217 TIP3 H1 A 0.417000 1.0079 + 651 SYS 217 TIP3 H2 A 0.417000 1.0079 + 652 SYS 218 TIP3 O1 C -0.834000 15.9994 + 653 SYS 218 TIP3 H1 A 0.417000 1.0079 + 654 SYS 218 TIP3 H2 A 0.417000 1.0079 + 655 SYS 219 TIP3 O1 C -0.834000 15.9994 + 656 SYS 219 TIP3 H1 A 0.417000 1.0079 + 657 SYS 219 TIP3 H2 A 0.417000 1.0079 + 658 SYS 220 TIP3 O1 C -0.834000 15.9994 + 659 SYS 220 TIP3 H1 A 0.417000 1.0079 + 660 SYS 220 TIP3 H2 A 0.417000 1.0079 + 661 SYS 221 TIP3 O1 C -0.834000 15.9994 + 662 SYS 221 TIP3 H1 A 0.417000 1.0079 + 663 SYS 221 TIP3 H2 A 0.417000 1.0079 + 664 SYS 222 TIP3 O1 C -0.834000 15.9994 + 665 SYS 222 TIP3 H1 A 0.417000 1.0079 + 666 SYS 222 TIP3 H2 A 0.417000 1.0079 + 667 SYS 223 TIP3 O1 C -0.834000 15.9994 + 668 SYS 223 TIP3 H1 A 0.417000 1.0079 + 669 SYS 223 TIP3 H2 A 0.417000 1.0079 + 670 SYS 224 TIP3 O1 C -0.834000 15.9994 + 671 SYS 224 TIP3 H1 A 0.417000 1.0079 + 672 SYS 224 TIP3 H2 A 0.417000 1.0079 + 673 SYS 225 TIP3 O1 C -0.834000 15.9994 + 674 SYS 225 TIP3 H1 A 0.417000 1.0079 + 675 SYS 225 TIP3 H2 A 0.417000 1.0079 + 676 SYS 226 TIP3 O1 C -0.834000 15.9994 + 677 SYS 226 TIP3 H1 A 0.417000 1.0079 + 678 SYS 226 TIP3 H2 A 0.417000 1.0079 + 679 SYS 227 TIP3 O1 C -0.834000 15.9994 + 680 SYS 227 TIP3 H1 A 0.417000 1.0079 + 681 SYS 227 TIP3 H2 A 0.417000 1.0079 + 682 SYS 228 TIP3 O1 C -0.834000 15.9994 + 683 SYS 228 TIP3 H1 A 0.417000 1.0079 + 684 SYS 228 TIP3 H2 A 0.417000 1.0079 + 685 SYS 229 TIP3 O1 C -0.834000 15.9994 + 686 SYS 229 TIP3 H1 A 0.417000 1.0079 + 687 SYS 229 TIP3 H2 A 0.417000 1.0079 + 688 SYS 230 TIP3 O1 C -0.834000 15.9994 + 689 SYS 230 TIP3 H1 A 0.417000 1.0079 + 690 SYS 230 TIP3 H2 A 0.417000 1.0079 + 691 SYS 231 TIP3 O1 C -0.834000 15.9994 + 692 SYS 231 TIP3 H1 A 0.417000 1.0079 + 693 SYS 231 TIP3 H2 A 0.417000 1.0079 + 694 SYS 232 TIP3 O1 C -0.834000 15.9994 + 695 SYS 232 TIP3 H1 A 0.417000 1.0079 + 696 SYS 232 TIP3 H2 A 0.417000 1.0079 + 697 SYS 233 TIP3 O1 C -0.834000 15.9994 + 698 SYS 233 TIP3 H1 A 0.417000 1.0079 + 699 SYS 233 TIP3 H2 A 0.417000 1.0079 + 700 SYS 234 TIP3 O1 C -0.834000 15.9994 + 701 SYS 234 TIP3 H1 A 0.417000 1.0079 + 702 SYS 234 TIP3 H2 A 0.417000 1.0079 + 703 SYS 235 TIP3 O1 C -0.834000 15.9994 + 704 SYS 235 TIP3 H1 A 0.417000 1.0079 + 705 SYS 235 TIP3 H2 A 0.417000 1.0079 + 706 SYS 236 TIP3 O1 C -0.834000 15.9994 + 707 SYS 236 TIP3 H1 A 0.417000 1.0079 + 708 SYS 236 TIP3 H2 A 0.417000 1.0079 + 709 SYS 237 TIP3 O1 C -0.834000 15.9994 + 710 SYS 237 TIP3 H1 A 0.417000 1.0079 + 711 SYS 237 TIP3 H2 A 0.417000 1.0079 + 712 SYS 238 TIP3 O1 C -0.834000 15.9994 + 713 SYS 238 TIP3 H1 A 0.417000 1.0079 + 714 SYS 238 TIP3 H2 A 0.417000 1.0079 + 715 SYS 239 TIP3 O1 C -0.834000 15.9994 + 716 SYS 239 TIP3 H1 A 0.417000 1.0079 + 717 SYS 239 TIP3 H2 A 0.417000 1.0079 + 718 SYS 240 TIP3 O1 C -0.834000 15.9994 + 719 SYS 240 TIP3 H1 A 0.417000 1.0079 + 720 SYS 240 TIP3 H2 A 0.417000 1.0079 + 721 SYS 241 TIP3 O1 C -0.834000 15.9994 + 722 SYS 241 TIP3 H1 A 0.417000 1.0079 + 723 SYS 241 TIP3 H2 A 0.417000 1.0079 + 724 SYS 242 TIP3 O1 C -0.834000 15.9994 + 725 SYS 242 TIP3 H1 A 0.417000 1.0079 + 726 SYS 242 TIP3 H2 A 0.417000 1.0079 + 727 SYS 243 TIP3 O1 C -0.834000 15.9994 + 728 SYS 243 TIP3 H1 A 0.417000 1.0079 + 729 SYS 243 TIP3 H2 A 0.417000 1.0079 + 730 SYS 244 TIP3 O1 C -0.834000 15.9994 + 731 SYS 244 TIP3 H1 A 0.417000 1.0079 + 732 SYS 244 TIP3 H2 A 0.417000 1.0079 + 733 SYS 245 TIP3 O1 C -0.834000 15.9994 + 734 SYS 245 TIP3 H1 A 0.417000 1.0079 + 735 SYS 245 TIP3 H2 A 0.417000 1.0079 + 736 SYS 246 TIP3 O1 C -0.834000 15.9994 + 737 SYS 246 TIP3 H1 A 0.417000 1.0079 + 738 SYS 246 TIP3 H2 A 0.417000 1.0079 + 739 SYS 247 TIP3 O1 C -0.834000 15.9994 + 740 SYS 247 TIP3 H1 A 0.417000 1.0079 + 741 SYS 247 TIP3 H2 A 0.417000 1.0079 + 742 SYS 248 TIP3 O1 C -0.834000 15.9994 + 743 SYS 248 TIP3 H1 A 0.417000 1.0079 + 744 SYS 248 TIP3 H2 A 0.417000 1.0079 + 745 SYS 249 TIP3 O1 C -0.834000 15.9994 + 746 SYS 249 TIP3 H1 A 0.417000 1.0079 + 747 SYS 249 TIP3 H2 A 0.417000 1.0079 + 748 SYS 250 TIP3 O1 C -0.834000 15.9994 + 749 SYS 250 TIP3 H1 A 0.417000 1.0079 + 750 SYS 250 TIP3 H2 A 0.417000 1.0079 + 751 SYS 251 TIP3 O1 C -0.834000 15.9994 + 752 SYS 251 TIP3 H1 A 0.417000 1.0079 + 753 SYS 251 TIP3 H2 A 0.417000 1.0079 + 754 SYS 252 TIP3 O1 C -0.834000 15.9994 + 755 SYS 252 TIP3 H1 A 0.417000 1.0079 + 756 SYS 252 TIP3 H2 A 0.417000 1.0079 + 757 SYS 253 TIP3 O1 C -0.834000 15.9994 + 758 SYS 253 TIP3 H1 A 0.417000 1.0079 + 759 SYS 253 TIP3 H2 A 0.417000 1.0079 + 760 SYS 254 TIP3 O1 C -0.834000 15.9994 + 761 SYS 254 TIP3 H1 A 0.417000 1.0079 + 762 SYS 254 TIP3 H2 A 0.417000 1.0079 + 763 SYS 255 TIP3 O1 C -0.834000 15.9994 + 764 SYS 255 TIP3 H1 A 0.417000 1.0079 + 765 SYS 255 TIP3 H2 A 0.417000 1.0079 + 766 SYS 256 TIP3 O1 C -0.834000 15.9994 + 767 SYS 256 TIP3 H1 A 0.417000 1.0079 + 768 SYS 256 TIP3 H2 A 0.417000 1.0079 + 769 SYS 257 TIP3 O1 C -0.834000 15.9994 + 770 SYS 257 TIP3 H1 A 0.417000 1.0079 + 771 SYS 257 TIP3 H2 A 0.417000 1.0079 + 772 SYS 258 TIP3 O1 C -0.834000 15.9994 + 773 SYS 258 TIP3 H1 A 0.417000 1.0079 + 774 SYS 258 TIP3 H2 A 0.417000 1.0079 + 775 SYS 259 TIP3 O1 C -0.834000 15.9994 + 776 SYS 259 TIP3 H1 A 0.417000 1.0079 + 777 SYS 259 TIP3 H2 A 0.417000 1.0079 + 778 SYS 260 TIP3 O1 C -0.834000 15.9994 + 779 SYS 260 TIP3 H1 A 0.417000 1.0079 + 780 SYS 260 TIP3 H2 A 0.417000 1.0079 + 781 SYS 261 TIP3 O1 C -0.834000 15.9994 + 782 SYS 261 TIP3 H1 A 0.417000 1.0079 + 783 SYS 261 TIP3 H2 A 0.417000 1.0079 + 784 SYS 262 TIP3 O1 C -0.834000 15.9994 + 785 SYS 262 TIP3 H1 A 0.417000 1.0079 + 786 SYS 262 TIP3 H2 A 0.417000 1.0079 + 787 SYS 263 TIP3 O1 C -0.834000 15.9994 + 788 SYS 263 TIP3 H1 A 0.417000 1.0079 + 789 SYS 263 TIP3 H2 A 0.417000 1.0079 + 790 SYS 264 TIP3 O1 C -0.834000 15.9994 + 791 SYS 264 TIP3 H1 A 0.417000 1.0079 + 792 SYS 264 TIP3 H2 A 0.417000 1.0079 + 793 SYS 265 TIP3 O1 C -0.834000 15.9994 + 794 SYS 265 TIP3 H1 A 0.417000 1.0079 + 795 SYS 265 TIP3 H2 A 0.417000 1.0079 + 796 SYS 266 TIP3 O1 C -0.834000 15.9994 + 797 SYS 266 TIP3 H1 A 0.417000 1.0079 + 798 SYS 266 TIP3 H2 A 0.417000 1.0079 + 799 SYS 267 TIP3 O1 C -0.834000 15.9994 + 800 SYS 267 TIP3 H1 A 0.417000 1.0079 + 801 SYS 267 TIP3 H2 A 0.417000 1.0079 + 802 SYS 268 TIP3 O1 C -0.834000 15.9994 + 803 SYS 268 TIP3 H1 A 0.417000 1.0079 + 804 SYS 268 TIP3 H2 A 0.417000 1.0079 + 805 SYS 269 TIP3 O1 C -0.834000 15.9994 + 806 SYS 269 TIP3 H1 A 0.417000 1.0079 + 807 SYS 269 TIP3 H2 A 0.417000 1.0079 + 808 SYS 270 TIP3 O1 C -0.834000 15.9994 + 809 SYS 270 TIP3 H1 A 0.417000 1.0079 + 810 SYS 270 TIP3 H2 A 0.417000 1.0079 + 811 SYS 271 TIP3 O1 C -0.834000 15.9994 + 812 SYS 271 TIP3 H1 A 0.417000 1.0079 + 813 SYS 271 TIP3 H2 A 0.417000 1.0079 + 814 SYS 272 TIP3 O1 C -0.834000 15.9994 + 815 SYS 272 TIP3 H1 A 0.417000 1.0079 + 816 SYS 272 TIP3 H2 A 0.417000 1.0079 + 817 SYS 273 TIP3 O1 C -0.834000 15.9994 + 818 SYS 273 TIP3 H1 A 0.417000 1.0079 + 819 SYS 273 TIP3 H2 A 0.417000 1.0079 + 820 SYS 274 TIP3 O1 C -0.834000 15.9994 + 821 SYS 274 TIP3 H1 A 0.417000 1.0079 + 822 SYS 274 TIP3 H2 A 0.417000 1.0079 + 823 SYS 275 TIP3 O1 C -0.834000 15.9994 + 824 SYS 275 TIP3 H1 A 0.417000 1.0079 + 825 SYS 275 TIP3 H2 A 0.417000 1.0079 + 826 SYS 276 TIP3 O1 C -0.834000 15.9994 + 827 SYS 276 TIP3 H1 A 0.417000 1.0079 + 828 SYS 276 TIP3 H2 A 0.417000 1.0079 + 829 SYS 277 TIP3 O1 C -0.834000 15.9994 + 830 SYS 277 TIP3 H1 A 0.417000 1.0079 + 831 SYS 277 TIP3 H2 A 0.417000 1.0079 + 832 SYS 278 TIP3 O1 C -0.834000 15.9994 + 833 SYS 278 TIP3 H1 A 0.417000 1.0079 + 834 SYS 278 TIP3 H2 A 0.417000 1.0079 + 835 SYS 279 TIP3 O1 C -0.834000 15.9994 + 836 SYS 279 TIP3 H1 A 0.417000 1.0079 + 837 SYS 279 TIP3 H2 A 0.417000 1.0079 + 838 SYS 280 TIP3 O1 C -0.834000 15.9994 + 839 SYS 280 TIP3 H1 A 0.417000 1.0079 + 840 SYS 280 TIP3 H2 A 0.417000 1.0079 + 841 SYS 281 TIP3 O1 C -0.834000 15.9994 + 842 SYS 281 TIP3 H1 A 0.417000 1.0079 + 843 SYS 281 TIP3 H2 A 0.417000 1.0079 + 844 SYS 282 TIP3 O1 C -0.834000 15.9994 + 845 SYS 282 TIP3 H1 A 0.417000 1.0079 + 846 SYS 282 TIP3 H2 A 0.417000 1.0079 + 847 SYS 283 TIP3 O1 C -0.834000 15.9994 + 848 SYS 283 TIP3 H1 A 0.417000 1.0079 + 849 SYS 283 TIP3 H2 A 0.417000 1.0079 + 850 SYS 284 TIP3 O1 C -0.834000 15.9994 + 851 SYS 284 TIP3 H1 A 0.417000 1.0079 + 852 SYS 284 TIP3 H2 A 0.417000 1.0079 + 853 SYS 285 TIP3 O1 C -0.834000 15.9994 + 854 SYS 285 TIP3 H1 A 0.417000 1.0079 + 855 SYS 285 TIP3 H2 A 0.417000 1.0079 + 856 SYS 286 TIP3 O1 C -0.834000 15.9994 + 857 SYS 286 TIP3 H1 A 0.417000 1.0079 + 858 SYS 286 TIP3 H2 A 0.417000 1.0079 + 859 SYS 287 TIP3 O1 C -0.834000 15.9994 + 860 SYS 287 TIP3 H1 A 0.417000 1.0079 + 861 SYS 287 TIP3 H2 A 0.417000 1.0079 + 862 SYS 288 TIP3 O1 C -0.834000 15.9994 + 863 SYS 288 TIP3 H1 A 0.417000 1.0079 + 864 SYS 288 TIP3 H2 A 0.417000 1.0079 + 865 SYS 289 TIP3 O1 C -0.834000 15.9994 + 866 SYS 289 TIP3 H1 A 0.417000 1.0079 + 867 SYS 289 TIP3 H2 A 0.417000 1.0079 + 868 SYS 290 TIP3 O1 C -0.834000 15.9994 + 869 SYS 290 TIP3 H1 A 0.417000 1.0079 + 870 SYS 290 TIP3 H2 A 0.417000 1.0079 + 871 SYS 291 TIP3 O1 C -0.834000 15.9994 + 872 SYS 291 TIP3 H1 A 0.417000 1.0079 + 873 SYS 291 TIP3 H2 A 0.417000 1.0079 + 874 SYS 292 TIP3 O1 C -0.834000 15.9994 + 875 SYS 292 TIP3 H1 A 0.417000 1.0079 + 876 SYS 292 TIP3 H2 A 0.417000 1.0079 + 877 SYS 293 TIP3 O1 C -0.834000 15.9994 + 878 SYS 293 TIP3 H1 A 0.417000 1.0079 + 879 SYS 293 TIP3 H2 A 0.417000 1.0079 + 880 SYS 294 TIP3 O1 C -0.834000 15.9994 + 881 SYS 294 TIP3 H1 A 0.417000 1.0079 + 882 SYS 294 TIP3 H2 A 0.417000 1.0079 + 883 SYS 295 TIP3 O1 C -0.834000 15.9994 + 884 SYS 295 TIP3 H1 A 0.417000 1.0079 + 885 SYS 295 TIP3 H2 A 0.417000 1.0079 + 886 SYS 296 TIP3 O1 C -0.834000 15.9994 + 887 SYS 296 TIP3 H1 A 0.417000 1.0079 + 888 SYS 296 TIP3 H2 A 0.417000 1.0079 + 889 SYS 297 TIP3 O1 C -0.834000 15.9994 + 890 SYS 297 TIP3 H1 A 0.417000 1.0079 + 891 SYS 297 TIP3 H2 A 0.417000 1.0079 + 892 SYS 298 TIP3 O1 C -0.834000 15.9994 + 893 SYS 298 TIP3 H1 A 0.417000 1.0079 + 894 SYS 298 TIP3 H2 A 0.417000 1.0079 + 895 SYS 299 TIP3 O1 C -0.834000 15.9994 + 896 SYS 299 TIP3 H1 A 0.417000 1.0079 + 897 SYS 299 TIP3 H2 A 0.417000 1.0079 + 898 SYS 300 TIP3 O1 C -0.834000 15.9994 + 899 SYS 300 TIP3 H1 A 0.417000 1.0079 + 900 SYS 300 TIP3 H2 A 0.417000 1.0079 + 901 SYS 301 TIP3 O1 C -0.834000 15.9994 + 902 SYS 301 TIP3 H1 A 0.417000 1.0079 + 903 SYS 301 TIP3 H2 A 0.417000 1.0079 + 904 SYS 302 TIP3 O1 C -0.834000 15.9994 + 905 SYS 302 TIP3 H1 A 0.417000 1.0079 + 906 SYS 302 TIP3 H2 A 0.417000 1.0079 + 907 SYS 303 TIP3 O1 C -0.834000 15.9994 + 908 SYS 303 TIP3 H1 A 0.417000 1.0079 + 909 SYS 303 TIP3 H2 A 0.417000 1.0079 + 910 SYS 304 TIP3 O1 C -0.834000 15.9994 + 911 SYS 304 TIP3 H1 A 0.417000 1.0079 + 912 SYS 304 TIP3 H2 A 0.417000 1.0079 + 913 SYS 305 TIP3 O1 C -0.834000 15.9994 + 914 SYS 305 TIP3 H1 A 0.417000 1.0079 + 915 SYS 305 TIP3 H2 A 0.417000 1.0079 + 916 SYS 306 TIP3 O1 C -0.834000 15.9994 + 917 SYS 306 TIP3 H1 A 0.417000 1.0079 + 918 SYS 306 TIP3 H2 A 0.417000 1.0079 + 919 SYS 307 TIP3 O1 C -0.834000 15.9994 + 920 SYS 307 TIP3 H1 A 0.417000 1.0079 + 921 SYS 307 TIP3 H2 A 0.417000 1.0079 + 922 SYS 308 TIP3 O1 C -0.834000 15.9994 + 923 SYS 308 TIP3 H1 A 0.417000 1.0079 + 924 SYS 308 TIP3 H2 A 0.417000 1.0079 + 925 SYS 309 TIP3 O1 C -0.834000 15.9994 + 926 SYS 309 TIP3 H1 A 0.417000 1.0079 + 927 SYS 309 TIP3 H2 A 0.417000 1.0079 + 928 SYS 310 TIP3 O1 C -0.834000 15.9994 + 929 SYS 310 TIP3 H1 A 0.417000 1.0079 + 930 SYS 310 TIP3 H2 A 0.417000 1.0079 + 931 SYS 311 TIP3 O1 C -0.834000 15.9994 + 932 SYS 311 TIP3 H1 A 0.417000 1.0079 + 933 SYS 311 TIP3 H2 A 0.417000 1.0079 + 934 SYS 312 TIP3 O1 C -0.834000 15.9994 + 935 SYS 312 TIP3 H1 A 0.417000 1.0079 + 936 SYS 312 TIP3 H2 A 0.417000 1.0079 + 937 SYS 313 TIP3 O1 C -0.834000 15.9994 + 938 SYS 313 TIP3 H1 A 0.417000 1.0079 + 939 SYS 313 TIP3 H2 A 0.417000 1.0079 + 940 SYS 314 TIP3 O1 C -0.834000 15.9994 + 941 SYS 314 TIP3 H1 A 0.417000 1.0079 + 942 SYS 314 TIP3 H2 A 0.417000 1.0079 + 943 SYS 315 TIP3 O1 C -0.834000 15.9994 + 944 SYS 315 TIP3 H1 A 0.417000 1.0079 + 945 SYS 315 TIP3 H2 A 0.417000 1.0079 + 946 SYS 316 TIP3 O1 C -0.834000 15.9994 + 947 SYS 316 TIP3 H1 A 0.417000 1.0079 + 948 SYS 316 TIP3 H2 A 0.417000 1.0079 + 949 SYS 317 TIP3 O1 C -0.834000 15.9994 + 950 SYS 317 TIP3 H1 A 0.417000 1.0079 + 951 SYS 317 TIP3 H2 A 0.417000 1.0079 + 952 SYS 318 TIP3 O1 C -0.834000 15.9994 + 953 SYS 318 TIP3 H1 A 0.417000 1.0079 + 954 SYS 318 TIP3 H2 A 0.417000 1.0079 + 955 SYS 319 TIP3 O1 C -0.834000 15.9994 + 956 SYS 319 TIP3 H1 A 0.417000 1.0079 + 957 SYS 319 TIP3 H2 A 0.417000 1.0079 + 958 SYS 320 TIP3 O1 C -0.834000 15.9994 + 959 SYS 320 TIP3 H1 A 0.417000 1.0079 + 960 SYS 320 TIP3 H2 A 0.417000 1.0079 + 961 SYS 321 TIP3 O1 C -0.834000 15.9994 + 962 SYS 321 TIP3 H1 A 0.417000 1.0079 + 963 SYS 321 TIP3 H2 A 0.417000 1.0079 + 964 SYS 322 TIP3 O1 C -0.834000 15.9994 + 965 SYS 322 TIP3 H1 A 0.417000 1.0079 + 966 SYS 322 TIP3 H2 A 0.417000 1.0079 + 967 SYS 323 TIP3 O1 C -0.834000 15.9994 + 968 SYS 323 TIP3 H1 A 0.417000 1.0079 + 969 SYS 323 TIP3 H2 A 0.417000 1.0079 + 970 SYS 324 TIP3 O1 C -0.834000 15.9994 + 971 SYS 324 TIP3 H1 A 0.417000 1.0079 + 972 SYS 324 TIP3 H2 A 0.417000 1.0079 + 973 SYS 325 TIP3 O1 C -0.834000 15.9994 + 974 SYS 325 TIP3 H1 A 0.417000 1.0079 + 975 SYS 325 TIP3 H2 A 0.417000 1.0079 + 976 SYS 326 TIP3 O1 C -0.834000 15.9994 + 977 SYS 326 TIP3 H1 A 0.417000 1.0079 + 978 SYS 326 TIP3 H2 A 0.417000 1.0079 + 979 SYS 327 TIP3 O1 C -0.834000 15.9994 + 980 SYS 327 TIP3 H1 A 0.417000 1.0079 + 981 SYS 327 TIP3 H2 A 0.417000 1.0079 + 982 SYS 328 TIP3 O1 C -0.834000 15.9994 + 983 SYS 328 TIP3 H1 A 0.417000 1.0079 + 984 SYS 328 TIP3 H2 A 0.417000 1.0079 + 985 SYS 329 TIP3 O1 C -0.834000 15.9994 + 986 SYS 329 TIP3 H1 A 0.417000 1.0079 + 987 SYS 329 TIP3 H2 A 0.417000 1.0079 + 988 SYS 330 TIP3 O1 C -0.834000 15.9994 + 989 SYS 330 TIP3 H1 A 0.417000 1.0079 + 990 SYS 330 TIP3 H2 A 0.417000 1.0079 + 991 SYS 331 TIP3 O1 C -0.834000 15.9994 + 992 SYS 331 TIP3 H1 A 0.417000 1.0079 + 993 SYS 331 TIP3 H2 A 0.417000 1.0079 + 994 SYS 332 TIP3 O1 C -0.834000 15.9994 + 995 SYS 332 TIP3 H1 A 0.417000 1.0079 + 996 SYS 332 TIP3 H2 A 0.417000 1.0079 + 997 SYS 333 TIP3 O1 C -0.834000 15.9994 + 998 SYS 333 TIP3 H1 A 0.417000 1.0079 + 999 SYS 333 TIP3 H2 A 0.417000 1.0079 + 1000 SYS 334 TIP3 O1 C -0.834000 15.9994 + 1001 SYS 334 TIP3 H1 A 0.417000 1.0079 + 1002 SYS 334 TIP3 H2 A 0.417000 1.0079 + 1003 SYS 335 TIP3 O1 C -0.834000 15.9994 + 1004 SYS 335 TIP3 H1 A 0.417000 1.0079 + 1005 SYS 335 TIP3 H2 A 0.417000 1.0079 + 1006 SYS 336 TIP3 O1 C -0.834000 15.9994 + 1007 SYS 336 TIP3 H1 A 0.417000 1.0079 + 1008 SYS 336 TIP3 H2 A 0.417000 1.0079 + 1009 SYS 337 TIP3 O1 C -0.834000 15.9994 + 1010 SYS 337 TIP3 H1 A 0.417000 1.0079 + 1011 SYS 337 TIP3 H2 A 0.417000 1.0079 + 1012 SYS 338 TIP3 O1 C -0.834000 15.9994 + 1013 SYS 338 TIP3 H1 A 0.417000 1.0079 + 1014 SYS 338 TIP3 H2 A 0.417000 1.0079 + 1015 SYS 339 TIP3 O1 C -0.834000 15.9994 + 1016 SYS 339 TIP3 H1 A 0.417000 1.0079 + 1017 SYS 339 TIP3 H2 A 0.417000 1.0079 + 1018 SYS 340 TIP3 O1 C -0.834000 15.9994 + 1019 SYS 340 TIP3 H1 A 0.417000 1.0079 + 1020 SYS 340 TIP3 H2 A 0.417000 1.0079 + 1021 SYS 341 TIP3 O1 C -0.834000 15.9994 + 1022 SYS 341 TIP3 H1 A 0.417000 1.0079 + 1023 SYS 341 TIP3 H2 A 0.417000 1.0079 + 1024 SYS 342 TIP3 O1 C -0.834000 15.9994 + 1025 SYS 342 TIP3 H1 A 0.417000 1.0079 + 1026 SYS 342 TIP3 H2 A 0.417000 1.0079 + 1027 SYS 343 TIP3 O1 C -0.834000 15.9994 + 1028 SYS 343 TIP3 H1 A 0.417000 1.0079 + 1029 SYS 343 TIP3 H2 A 0.417000 1.0079 + 1030 SYS 344 TIP3 O1 C -0.834000 15.9994 + 1031 SYS 344 TIP3 H1 A 0.417000 1.0079 + 1032 SYS 344 TIP3 H2 A 0.417000 1.0079 + 1033 SYS 345 TIP3 O1 C -0.834000 15.9994 + 1034 SYS 345 TIP3 H1 A 0.417000 1.0079 + 1035 SYS 345 TIP3 H2 A 0.417000 1.0079 + 1036 SYS 346 TIP3 O1 C -0.834000 15.9994 + 1037 SYS 346 TIP3 H1 A 0.417000 1.0079 + 1038 SYS 346 TIP3 H2 A 0.417000 1.0079 + 1039 SYS 347 TIP3 O1 C -0.834000 15.9994 + 1040 SYS 347 TIP3 H1 A 0.417000 1.0079 + 1041 SYS 347 TIP3 H2 A 0.417000 1.0079 + 1042 SYS 348 TIP3 O1 C -0.834000 15.9994 + 1043 SYS 348 TIP3 H1 A 0.417000 1.0079 + 1044 SYS 348 TIP3 H2 A 0.417000 1.0079 + 1045 SYS 349 TIP3 O1 C -0.834000 15.9994 + 1046 SYS 349 TIP3 H1 A 0.417000 1.0079 + 1047 SYS 349 TIP3 H2 A 0.417000 1.0079 + 1048 SYS 350 TIP3 O1 C -0.834000 15.9994 + 1049 SYS 350 TIP3 H1 A 0.417000 1.0079 + 1050 SYS 350 TIP3 H2 A 0.417000 1.0079 + 1051 SYS 351 TIP3 O1 C -0.834000 15.9994 + 1052 SYS 351 TIP3 H1 A 0.417000 1.0079 + 1053 SYS 351 TIP3 H2 A 0.417000 1.0079 + 1054 SYS 352 TIP3 O1 C -0.834000 15.9994 + 1055 SYS 352 TIP3 H1 A 0.417000 1.0079 + 1056 SYS 352 TIP3 H2 A 0.417000 1.0079 + 1057 SYS 353 TIP3 O1 C -0.834000 15.9994 + 1058 SYS 353 TIP3 H1 A 0.417000 1.0079 + 1059 SYS 353 TIP3 H2 A 0.417000 1.0079 + 1060 SYS 354 TIP3 O1 C -0.834000 15.9994 + 1061 SYS 354 TIP3 H1 A 0.417000 1.0079 + 1062 SYS 354 TIP3 H2 A 0.417000 1.0079 + 1063 SYS 355 TIP3 O1 C -0.834000 15.9994 + 1064 SYS 355 TIP3 H1 A 0.417000 1.0079 + 1065 SYS 355 TIP3 H2 A 0.417000 1.0079 + 1066 SYS 356 TIP3 O1 C -0.834000 15.9994 + 1067 SYS 356 TIP3 H1 A 0.417000 1.0079 + 1068 SYS 356 TIP3 H2 A 0.417000 1.0079 + 1069 SYS 357 TIP3 O1 C -0.834000 15.9994 + 1070 SYS 357 TIP3 H1 A 0.417000 1.0079 + 1071 SYS 357 TIP3 H2 A 0.417000 1.0079 + 1072 SYS 358 TIP3 O1 C -0.834000 15.9994 + 1073 SYS 358 TIP3 H1 A 0.417000 1.0079 + 1074 SYS 358 TIP3 H2 A 0.417000 1.0079 + 1075 SYS 359 TIP3 O1 C -0.834000 15.9994 + 1076 SYS 359 TIP3 H1 A 0.417000 1.0079 + 1077 SYS 359 TIP3 H2 A 0.417000 1.0079 + 1078 SYS 360 TIP3 O1 C -0.834000 15.9994 + 1079 SYS 360 TIP3 H1 A 0.417000 1.0079 + 1080 SYS 360 TIP3 H2 A 0.417000 1.0079 + 1081 SYS 361 TIP3 O1 C -0.834000 15.9994 + 1082 SYS 361 TIP3 H1 A 0.417000 1.0079 + 1083 SYS 361 TIP3 H2 A 0.417000 1.0079 + 1084 SYS 362 TIP3 O1 C -0.834000 15.9994 + 1085 SYS 362 TIP3 H1 A 0.417000 1.0079 + 1086 SYS 362 TIP3 H2 A 0.417000 1.0079 + 1087 SYS 363 TIP3 O1 C -0.834000 15.9994 + 1088 SYS 363 TIP3 H1 A 0.417000 1.0079 + 1089 SYS 363 TIP3 H2 A 0.417000 1.0079 + 1090 SYS 364 TIP3 O1 C -0.834000 15.9994 + 1091 SYS 364 TIP3 H1 A 0.417000 1.0079 + 1092 SYS 364 TIP3 H2 A 0.417000 1.0079 + 1093 SYS 365 TIP3 O1 C -0.834000 15.9994 + 1094 SYS 365 TIP3 H1 A 0.417000 1.0079 + 1095 SYS 365 TIP3 H2 A 0.417000 1.0079 + 1096 SYS 366 TIP3 O1 C -0.834000 15.9994 + 1097 SYS 366 TIP3 H1 A 0.417000 1.0079 + 1098 SYS 366 TIP3 H2 A 0.417000 1.0079 + 1099 SYS 367 TIP3 O1 C -0.834000 15.9994 + 1100 SYS 367 TIP3 H1 A 0.417000 1.0079 + 1101 SYS 367 TIP3 H2 A 0.417000 1.0079 + 1102 SYS 368 TIP3 O1 C -0.834000 15.9994 + 1103 SYS 368 TIP3 H1 A 0.417000 1.0079 + 1104 SYS 368 TIP3 H2 A 0.417000 1.0079 + 1105 SYS 369 TIP3 O1 C -0.834000 15.9994 + 1106 SYS 369 TIP3 H1 A 0.417000 1.0079 + 1107 SYS 369 TIP3 H2 A 0.417000 1.0079 + 1108 SYS 370 TIP3 O1 C -0.834000 15.9994 + 1109 SYS 370 TIP3 H1 A 0.417000 1.0079 + 1110 SYS 370 TIP3 H2 A 0.417000 1.0079 + 1111 SYS 371 TIP3 O1 C -0.834000 15.9994 + 1112 SYS 371 TIP3 H1 A 0.417000 1.0079 + 1113 SYS 371 TIP3 H2 A 0.417000 1.0079 + 1114 SYS 372 TIP3 O1 C -0.834000 15.9994 + 1115 SYS 372 TIP3 H1 A 0.417000 1.0079 + 1116 SYS 372 TIP3 H2 A 0.417000 1.0079 + 1117 SYS 373 TIP3 O1 C -0.834000 15.9994 + 1118 SYS 373 TIP3 H1 A 0.417000 1.0079 + 1119 SYS 373 TIP3 H2 A 0.417000 1.0079 + 1120 SYS 374 TIP3 O1 C -0.834000 15.9994 + 1121 SYS 374 TIP3 H1 A 0.417000 1.0079 + 1122 SYS 374 TIP3 H2 A 0.417000 1.0079 + 1123 SYS 375 TIP3 O1 C -0.834000 15.9994 + 1124 SYS 375 TIP3 H1 A 0.417000 1.0079 + 1125 SYS 375 TIP3 H2 A 0.417000 1.0079 + 1126 SYS 376 TIP3 O1 C -0.834000 15.9994 + 1127 SYS 376 TIP3 H1 A 0.417000 1.0079 + 1128 SYS 376 TIP3 H2 A 0.417000 1.0079 + 1129 SYS 377 TIP3 O1 C -0.834000 15.9994 + 1130 SYS 377 TIP3 H1 A 0.417000 1.0079 + 1131 SYS 377 TIP3 H2 A 0.417000 1.0079 + 1132 SYS 378 TIP3 O1 C -0.834000 15.9994 + 1133 SYS 378 TIP3 H1 A 0.417000 1.0079 + 1134 SYS 378 TIP3 H2 A 0.417000 1.0079 + 1135 SYS 379 TIP3 O1 C -0.834000 15.9994 + 1136 SYS 379 TIP3 H1 A 0.417000 1.0079 + 1137 SYS 379 TIP3 H2 A 0.417000 1.0079 + 1138 SYS 380 TIP3 O1 C -0.834000 15.9994 + 1139 SYS 380 TIP3 H1 A 0.417000 1.0079 + 1140 SYS 380 TIP3 H2 A 0.417000 1.0079 + 1141 SYS 381 TIP3 O1 C -0.834000 15.9994 + 1142 SYS 381 TIP3 H1 A 0.417000 1.0079 + 1143 SYS 381 TIP3 H2 A 0.417000 1.0079 + 1144 SYS 382 TIP3 O1 C -0.834000 15.9994 + 1145 SYS 382 TIP3 H1 A 0.417000 1.0079 + 1146 SYS 382 TIP3 H2 A 0.417000 1.0079 + 1147 SYS 383 TIP3 O1 C -0.834000 15.9994 + 1148 SYS 383 TIP3 H1 A 0.417000 1.0079 + 1149 SYS 383 TIP3 H2 A 0.417000 1.0079 + 1150 SYS 384 TIP3 O1 C -0.834000 15.9994 + 1151 SYS 384 TIP3 H1 A 0.417000 1.0079 + 1152 SYS 384 TIP3 H2 A 0.417000 1.0079 + 1153 SYS 385 TIP3 O1 C -0.834000 15.9994 + 1154 SYS 385 TIP3 H1 A 0.417000 1.0079 + 1155 SYS 385 TIP3 H2 A 0.417000 1.0079 + 1156 SYS 386 TIP3 O1 C -0.834000 15.9994 + 1157 SYS 386 TIP3 H1 A 0.417000 1.0079 + 1158 SYS 386 TIP3 H2 A 0.417000 1.0079 + 1159 SYS 387 TIP3 O1 C -0.834000 15.9994 + 1160 SYS 387 TIP3 H1 A 0.417000 1.0079 + 1161 SYS 387 TIP3 H2 A 0.417000 1.0079 + 1162 SYS 388 TIP3 O1 C -0.834000 15.9994 + 1163 SYS 388 TIP3 H1 A 0.417000 1.0079 + 1164 SYS 388 TIP3 H2 A 0.417000 1.0079 + 1165 SYS 389 TIP3 O1 C -0.834000 15.9994 + 1166 SYS 389 TIP3 H1 A 0.417000 1.0079 + 1167 SYS 389 TIP3 H2 A 0.417000 1.0079 + 1168 SYS 390 TIP3 O1 C -0.834000 15.9994 + 1169 SYS 390 TIP3 H1 A 0.417000 1.0079 + 1170 SYS 390 TIP3 H2 A 0.417000 1.0079 + 1171 SYS 391 TIP3 O1 C -0.834000 15.9994 + 1172 SYS 391 TIP3 H1 A 0.417000 1.0079 + 1173 SYS 391 TIP3 H2 A 0.417000 1.0079 + 1174 SYS 392 TIP3 O1 C -0.834000 15.9994 + 1175 SYS 392 TIP3 H1 A 0.417000 1.0079 + 1176 SYS 392 TIP3 H2 A 0.417000 1.0079 + 1177 SYS 393 TIP3 O1 C -0.834000 15.9994 + 1178 SYS 393 TIP3 H1 A 0.417000 1.0079 + 1179 SYS 393 TIP3 H2 A 0.417000 1.0079 + 1180 SYS 394 TIP3 O1 C -0.834000 15.9994 + 1181 SYS 394 TIP3 H1 A 0.417000 1.0079 + 1182 SYS 394 TIP3 H2 A 0.417000 1.0079 + 1183 SYS 395 TIP3 O1 C -0.834000 15.9994 + 1184 SYS 395 TIP3 H1 A 0.417000 1.0079 + 1185 SYS 395 TIP3 H2 A 0.417000 1.0079 + 1186 SYS 396 TIP3 O1 C -0.834000 15.9994 + 1187 SYS 396 TIP3 H1 A 0.417000 1.0079 + 1188 SYS 396 TIP3 H2 A 0.417000 1.0079 + 1189 SYS 397 TIP3 O1 C -0.834000 15.9994 + 1190 SYS 397 TIP3 H1 A 0.417000 1.0079 + 1191 SYS 397 TIP3 H2 A 0.417000 1.0079 + 1192 SYS 398 TIP3 O1 C -0.834000 15.9994 + 1193 SYS 398 TIP3 H1 A 0.417000 1.0079 + 1194 SYS 398 TIP3 H2 A 0.417000 1.0079 + 1195 SYS 399 TIP3 O1 C -0.834000 15.9994 + 1196 SYS 399 TIP3 H1 A 0.417000 1.0079 + 1197 SYS 399 TIP3 H2 A 0.417000 1.0079 + 1198 SYS 400 TIP3 O1 C -0.834000 15.9994 + 1199 SYS 400 TIP3 H1 A 0.417000 1.0079 + 1200 SYS 400 TIP3 H2 A 0.417000 1.0079 + 1201 SYS 401 TIP3 O1 C -0.834000 15.9994 + 1202 SYS 401 TIP3 H1 A 0.417000 1.0079 + 1203 SYS 401 TIP3 H2 A 0.417000 1.0079 + 1204 SYS 402 TIP3 O1 C -0.834000 15.9994 + 1205 SYS 402 TIP3 H1 A 0.417000 1.0079 + 1206 SYS 402 TIP3 H2 A 0.417000 1.0079 + 1207 SYS 403 TIP3 O1 C -0.834000 15.9994 + 1208 SYS 403 TIP3 H1 A 0.417000 1.0079 + 1209 SYS 403 TIP3 H2 A 0.417000 1.0079 + 1210 SYS 404 TIP3 O1 C -0.834000 15.9994 + 1211 SYS 404 TIP3 H1 A 0.417000 1.0079 + 1212 SYS 404 TIP3 H2 A 0.417000 1.0079 + 1213 SYS 405 TIP3 O1 C -0.834000 15.9994 + 1214 SYS 405 TIP3 H1 A 0.417000 1.0079 + 1215 SYS 405 TIP3 H2 A 0.417000 1.0079 + 1216 SYS 406 TIP3 O1 C -0.834000 15.9994 + 1217 SYS 406 TIP3 H1 A 0.417000 1.0079 + 1218 SYS 406 TIP3 H2 A 0.417000 1.0079 + 1219 SYS 407 TIP3 O1 C -0.834000 15.9994 + 1220 SYS 407 TIP3 H1 A 0.417000 1.0079 + 1221 SYS 407 TIP3 H2 A 0.417000 1.0079 + 1222 SYS 408 TIP3 O1 C -0.834000 15.9994 + 1223 SYS 408 TIP3 H1 A 0.417000 1.0079 + 1224 SYS 408 TIP3 H2 A 0.417000 1.0079 + 1225 SYS 409 TIP3 O1 C -0.834000 15.9994 + 1226 SYS 409 TIP3 H1 A 0.417000 1.0079 + 1227 SYS 409 TIP3 H2 A 0.417000 1.0079 + 1228 SYS 410 TIP3 O1 C -0.834000 15.9994 + 1229 SYS 410 TIP3 H1 A 0.417000 1.0079 + 1230 SYS 410 TIP3 H2 A 0.417000 1.0079 + 1231 SYS 411 TIP3 O1 C -0.834000 15.9994 + 1232 SYS 411 TIP3 H1 A 0.417000 1.0079 + 1233 SYS 411 TIP3 H2 A 0.417000 1.0079 + 1234 SYS 412 TIP3 O1 C -0.834000 15.9994 + 1235 SYS 412 TIP3 H1 A 0.417000 1.0079 + 1236 SYS 412 TIP3 H2 A 0.417000 1.0079 + 1237 SYS 413 TIP3 O1 C -0.834000 15.9994 + 1238 SYS 413 TIP3 H1 A 0.417000 1.0079 + 1239 SYS 413 TIP3 H2 A 0.417000 1.0079 + 1240 SYS 414 TIP3 O1 C -0.834000 15.9994 + 1241 SYS 414 TIP3 H1 A 0.417000 1.0079 + 1242 SYS 414 TIP3 H2 A 0.417000 1.0079 + 1243 SYS 415 TIP3 O1 C -0.834000 15.9994 + 1244 SYS 415 TIP3 H1 A 0.417000 1.0079 + 1245 SYS 415 TIP3 H2 A 0.417000 1.0079 + 1246 SYS 416 TIP3 O1 C -0.834000 15.9994 + 1247 SYS 416 TIP3 H1 A 0.417000 1.0079 + 1248 SYS 416 TIP3 H2 A 0.417000 1.0079 + 1249 SYS 417 TIP3 O1 C -0.834000 15.9994 + 1250 SYS 417 TIP3 H1 A 0.417000 1.0079 + 1251 SYS 417 TIP3 H2 A 0.417000 1.0079 + 1252 SYS 418 TIP3 O1 C -0.834000 15.9994 + 1253 SYS 418 TIP3 H1 A 0.417000 1.0079 + 1254 SYS 418 TIP3 H2 A 0.417000 1.0079 + 1255 SYS 419 TIP3 O1 C -0.834000 15.9994 + 1256 SYS 419 TIP3 H1 A 0.417000 1.0079 + 1257 SYS 419 TIP3 H2 A 0.417000 1.0079 + 1258 SYS 420 TIP3 O1 C -0.834000 15.9994 + 1259 SYS 420 TIP3 H1 A 0.417000 1.0079 + 1260 SYS 420 TIP3 H2 A 0.417000 1.0079 + 1261 SYS 421 TIP3 O1 C -0.834000 15.9994 + 1262 SYS 421 TIP3 H1 A 0.417000 1.0079 + 1263 SYS 421 TIP3 H2 A 0.417000 1.0079 + 1264 SYS 422 TIP3 O1 C -0.834000 15.9994 + 1265 SYS 422 TIP3 H1 A 0.417000 1.0079 + 1266 SYS 422 TIP3 H2 A 0.417000 1.0079 + 1267 SYS 423 TIP3 O1 C -0.834000 15.9994 + 1268 SYS 423 TIP3 H1 A 0.417000 1.0079 + 1269 SYS 423 TIP3 H2 A 0.417000 1.0079 + 1270 SYS 424 TIP3 O1 C -0.834000 15.9994 + 1271 SYS 424 TIP3 H1 A 0.417000 1.0079 + 1272 SYS 424 TIP3 H2 A 0.417000 1.0079 + 1273 SYS 425 TIP3 O1 C -0.834000 15.9994 + 1274 SYS 425 TIP3 H1 A 0.417000 1.0079 + 1275 SYS 425 TIP3 H2 A 0.417000 1.0079 + 1276 SYS 426 TIP3 O1 C -0.834000 15.9994 + 1277 SYS 426 TIP3 H1 A 0.417000 1.0079 + 1278 SYS 426 TIP3 H2 A 0.417000 1.0079 + 1279 SYS 427 TIP3 O1 C -0.834000 15.9994 + 1280 SYS 427 TIP3 H1 A 0.417000 1.0079 + 1281 SYS 427 TIP3 H2 A 0.417000 1.0079 + 1282 SYS 428 TIP3 O1 C -0.834000 15.9994 + 1283 SYS 428 TIP3 H1 A 0.417000 1.0079 + 1284 SYS 428 TIP3 H2 A 0.417000 1.0079 + 1285 SYS 429 TIP3 O1 C -0.834000 15.9994 + 1286 SYS 429 TIP3 H1 A 0.417000 1.0079 + 1287 SYS 429 TIP3 H2 A 0.417000 1.0079 + 1288 SYS 430 TIP3 O1 C -0.834000 15.9994 + 1289 SYS 430 TIP3 H1 A 0.417000 1.0079 + 1290 SYS 430 TIP3 H2 A 0.417000 1.0079 + 1291 SYS 431 TIP3 O1 C -0.834000 15.9994 + 1292 SYS 431 TIP3 H1 A 0.417000 1.0079 + 1293 SYS 431 TIP3 H2 A 0.417000 1.0079 + 1294 SYS 432 TIP3 O1 C -0.834000 15.9994 + 1295 SYS 432 TIP3 H1 A 0.417000 1.0079 + 1296 SYS 432 TIP3 H2 A 0.417000 1.0079 + 1297 SYS 433 TIP3 O1 C -0.834000 15.9994 + 1298 SYS 433 TIP3 H1 A 0.417000 1.0079 + 1299 SYS 433 TIP3 H2 A 0.417000 1.0079 + 1300 SYS 434 TIP3 O1 C -0.834000 15.9994 + 1301 SYS 434 TIP3 H1 A 0.417000 1.0079 + 1302 SYS 434 TIP3 H2 A 0.417000 1.0079 + 1303 SYS 435 TIP3 O1 C -0.834000 15.9994 + 1304 SYS 435 TIP3 H1 A 0.417000 1.0079 + 1305 SYS 435 TIP3 H2 A 0.417000 1.0079 + 1306 SYS 436 TIP3 O1 C -0.834000 15.9994 + 1307 SYS 436 TIP3 H1 A 0.417000 1.0079 + 1308 SYS 436 TIP3 H2 A 0.417000 1.0079 + 1309 SYS 437 TIP3 O1 C -0.834000 15.9994 + 1310 SYS 437 TIP3 H1 A 0.417000 1.0079 + 1311 SYS 437 TIP3 H2 A 0.417000 1.0079 + 1312 SYS 438 TIP3 O1 C -0.834000 15.9994 + 1313 SYS 438 TIP3 H1 A 0.417000 1.0079 + 1314 SYS 438 TIP3 H2 A 0.417000 1.0079 + 1315 SYS 439 TIP3 O1 C -0.834000 15.9994 + 1316 SYS 439 TIP3 H1 A 0.417000 1.0079 + 1317 SYS 439 TIP3 H2 A 0.417000 1.0079 + 1318 SYS 440 TIP3 O1 C -0.834000 15.9994 + 1319 SYS 440 TIP3 H1 A 0.417000 1.0079 + 1320 SYS 440 TIP3 H2 A 0.417000 1.0079 + 1321 SYS 441 TIP3 O1 C -0.834000 15.9994 + 1322 SYS 441 TIP3 H1 A 0.417000 1.0079 + 1323 SYS 441 TIP3 H2 A 0.417000 1.0079 + 1324 SYS 442 TIP3 O1 C -0.834000 15.9994 + 1325 SYS 442 TIP3 H1 A 0.417000 1.0079 + 1326 SYS 442 TIP3 H2 A 0.417000 1.0079 + 1327 SYS 443 TIP3 O1 C -0.834000 15.9994 + 1328 SYS 443 TIP3 H1 A 0.417000 1.0079 + 1329 SYS 443 TIP3 H2 A 0.417000 1.0079 + 1330 SYS 444 TIP3 O1 C -0.834000 15.9994 + 1331 SYS 444 TIP3 H1 A 0.417000 1.0079 + 1332 SYS 444 TIP3 H2 A 0.417000 1.0079 + 1333 SYS 445 TIP3 O1 C -0.834000 15.9994 + 1334 SYS 445 TIP3 H1 A 0.417000 1.0079 + 1335 SYS 445 TIP3 H2 A 0.417000 1.0079 + 1336 SYS 446 TIP3 O1 C -0.834000 15.9994 + 1337 SYS 446 TIP3 H1 A 0.417000 1.0079 + 1338 SYS 446 TIP3 H2 A 0.417000 1.0079 + 1339 SYS 447 TIP3 O1 C -0.834000 15.9994 + 1340 SYS 447 TIP3 H1 A 0.417000 1.0079 + 1341 SYS 447 TIP3 H2 A 0.417000 1.0079 + 1342 SYS 448 TIP3 O1 C -0.834000 15.9994 + 1343 SYS 448 TIP3 H1 A 0.417000 1.0079 + 1344 SYS 448 TIP3 H2 A 0.417000 1.0079 + 1345 SYS 449 TIP3 O1 C -0.834000 15.9994 + 1346 SYS 449 TIP3 H1 A 0.417000 1.0079 + 1347 SYS 449 TIP3 H2 A 0.417000 1.0079 + 1348 SYS 450 TIP3 O1 C -0.834000 15.9994 + 1349 SYS 450 TIP3 H1 A 0.417000 1.0079 + 1350 SYS 450 TIP3 H2 A 0.417000 1.0079 + 1351 SYS 451 TIP3 O1 C -0.834000 15.9994 + 1352 SYS 451 TIP3 H1 A 0.417000 1.0079 + 1353 SYS 451 TIP3 H2 A 0.417000 1.0079 + 1354 SYS 452 TIP3 O1 C -0.834000 15.9994 + 1355 SYS 452 TIP3 H1 A 0.417000 1.0079 + 1356 SYS 452 TIP3 H2 A 0.417000 1.0079 + 1357 SYS 453 TIP3 O1 C -0.834000 15.9994 + 1358 SYS 453 TIP3 H1 A 0.417000 1.0079 + 1359 SYS 453 TIP3 H2 A 0.417000 1.0079 + 1360 SYS 454 TIP3 O1 C -0.834000 15.9994 + 1361 SYS 454 TIP3 H1 A 0.417000 1.0079 + 1362 SYS 454 TIP3 H2 A 0.417000 1.0079 + 1363 SYS 455 TIP3 O1 C -0.834000 15.9994 + 1364 SYS 455 TIP3 H1 A 0.417000 1.0079 + 1365 SYS 455 TIP3 H2 A 0.417000 1.0079 + 1366 SYS 456 TIP3 O1 C -0.834000 15.9994 + 1367 SYS 456 TIP3 H1 A 0.417000 1.0079 + 1368 SYS 456 TIP3 H2 A 0.417000 1.0079 + 1369 SYS 457 TIP3 O1 C -0.834000 15.9994 + 1370 SYS 457 TIP3 H1 A 0.417000 1.0079 + 1371 SYS 457 TIP3 H2 A 0.417000 1.0079 + 1372 SYS 458 TIP3 O1 C -0.834000 15.9994 + 1373 SYS 458 TIP3 H1 A 0.417000 1.0079 + 1374 SYS 458 TIP3 H2 A 0.417000 1.0079 + 1375 SYS 459 TIP3 O1 C -0.834000 15.9994 + 1376 SYS 459 TIP3 H1 A 0.417000 1.0079 + 1377 SYS 459 TIP3 H2 A 0.417000 1.0079 + 1378 SYS 460 TIP3 O1 C -0.834000 15.9994 + 1379 SYS 460 TIP3 H1 A 0.417000 1.0079 + 1380 SYS 460 TIP3 H2 A 0.417000 1.0079 + 1381 SYS 461 TIP3 O1 C -0.834000 15.9994 + 1382 SYS 461 TIP3 H1 A 0.417000 1.0079 + 1383 SYS 461 TIP3 H2 A 0.417000 1.0079 + 1384 SYS 462 TIP3 O1 C -0.834000 15.9994 + 1385 SYS 462 TIP3 H1 A 0.417000 1.0079 + 1386 SYS 462 TIP3 H2 A 0.417000 1.0079 + 1387 SYS 463 TIP3 O1 C -0.834000 15.9994 + 1388 SYS 463 TIP3 H1 A 0.417000 1.0079 + 1389 SYS 463 TIP3 H2 A 0.417000 1.0079 + 1390 SYS 464 TIP3 O1 C -0.834000 15.9994 + 1391 SYS 464 TIP3 H1 A 0.417000 1.0079 + 1392 SYS 464 TIP3 H2 A 0.417000 1.0079 + 1393 SYS 465 TIP3 O1 C -0.834000 15.9994 + 1394 SYS 465 TIP3 H1 A 0.417000 1.0079 + 1395 SYS 465 TIP3 H2 A 0.417000 1.0079 + 1396 SYS 466 TIP3 O1 C -0.834000 15.9994 + 1397 SYS 466 TIP3 H1 A 0.417000 1.0079 + 1398 SYS 466 TIP3 H2 A 0.417000 1.0079 + 1399 SYS 467 TIP3 O1 C -0.834000 15.9994 + 1400 SYS 467 TIP3 H1 A 0.417000 1.0079 + 1401 SYS 467 TIP3 H2 A 0.417000 1.0079 + 1402 SYS 468 TIP3 O1 C -0.834000 15.9994 + 1403 SYS 468 TIP3 H1 A 0.417000 1.0079 + 1404 SYS 468 TIP3 H2 A 0.417000 1.0079 + 1405 SYS 469 TIP3 O1 C -0.834000 15.9994 + 1406 SYS 469 TIP3 H1 A 0.417000 1.0079 + 1407 SYS 469 TIP3 H2 A 0.417000 1.0079 + 1408 SYS 470 TIP3 O1 C -0.834000 15.9994 + 1409 SYS 470 TIP3 H1 A 0.417000 1.0079 + 1410 SYS 470 TIP3 H2 A 0.417000 1.0079 + 1411 SYS 471 TIP3 O1 C -0.834000 15.9994 + 1412 SYS 471 TIP3 H1 A 0.417000 1.0079 + 1413 SYS 471 TIP3 H2 A 0.417000 1.0079 + 1414 SYS 472 TIP3 O1 C -0.834000 15.9994 + 1415 SYS 472 TIP3 H1 A 0.417000 1.0079 + 1416 SYS 472 TIP3 H2 A 0.417000 1.0079 + 1417 SYS 473 TIP3 O1 C -0.834000 15.9994 + 1418 SYS 473 TIP3 H1 A 0.417000 1.0079 + 1419 SYS 473 TIP3 H2 A 0.417000 1.0079 + 1420 SYS 474 TIP3 O1 C -0.834000 15.9994 + 1421 SYS 474 TIP3 H1 A 0.417000 1.0079 + 1422 SYS 474 TIP3 H2 A 0.417000 1.0079 + 1423 SYS 475 TIP3 O1 C -0.834000 15.9994 + 1424 SYS 475 TIP3 H1 A 0.417000 1.0079 + 1425 SYS 475 TIP3 H2 A 0.417000 1.0079 + 1426 SYS 476 TIP3 O1 C -0.834000 15.9994 + 1427 SYS 476 TIP3 H1 A 0.417000 1.0079 + 1428 SYS 476 TIP3 H2 A 0.417000 1.0079 + 1429 SYS 477 TIP3 O1 C -0.834000 15.9994 + 1430 SYS 477 TIP3 H1 A 0.417000 1.0079 + 1431 SYS 477 TIP3 H2 A 0.417000 1.0079 + 1432 SYS 478 TIP3 O1 C -0.834000 15.9994 + 1433 SYS 478 TIP3 H1 A 0.417000 1.0079 + 1434 SYS 478 TIP3 H2 A 0.417000 1.0079 + 1435 SYS 479 TIP3 O1 C -0.834000 15.9994 + 1436 SYS 479 TIP3 H1 A 0.417000 1.0079 + 1437 SYS 479 TIP3 H2 A 0.417000 1.0079 + 1438 SYS 480 TIP3 O1 C -0.834000 15.9994 + 1439 SYS 480 TIP3 H1 A 0.417000 1.0079 + 1440 SYS 480 TIP3 H2 A 0.417000 1.0079 + 1441 SYS 481 TIP3 O1 C -0.834000 15.9994 + 1442 SYS 481 TIP3 H1 A 0.417000 1.0079 + 1443 SYS 481 TIP3 H2 A 0.417000 1.0079 + 1444 SYS 482 TIP3 O1 C -0.834000 15.9994 + 1445 SYS 482 TIP3 H1 A 0.417000 1.0079 + 1446 SYS 482 TIP3 H2 A 0.417000 1.0079 + 1447 SYS 483 TIP3 O1 C -0.834000 15.9994 + 1448 SYS 483 TIP3 H1 A 0.417000 1.0079 + 1449 SYS 483 TIP3 H2 A 0.417000 1.0079 + 1450 SYS 484 TIP3 O1 C -0.834000 15.9994 + 1451 SYS 484 TIP3 H1 A 0.417000 1.0079 + 1452 SYS 484 TIP3 H2 A 0.417000 1.0079 + 1453 SYS 485 TIP3 O1 C -0.834000 15.9994 + 1454 SYS 485 TIP3 H1 A 0.417000 1.0079 + 1455 SYS 485 TIP3 H2 A 0.417000 1.0079 + 1456 SYS 486 TIP3 O1 C -0.834000 15.9994 + 1457 SYS 486 TIP3 H1 A 0.417000 1.0079 + 1458 SYS 486 TIP3 H2 A 0.417000 1.0079 + 1459 SYS 487 TIP3 O1 C -0.834000 15.9994 + 1460 SYS 487 TIP3 H1 A 0.417000 1.0079 + 1461 SYS 487 TIP3 H2 A 0.417000 1.0079 + 1462 SYS 488 TIP3 O1 C -0.834000 15.9994 + 1463 SYS 488 TIP3 H1 A 0.417000 1.0079 + 1464 SYS 488 TIP3 H2 A 0.417000 1.0079 + 1465 SYS 489 TIP3 O1 C -0.834000 15.9994 + 1466 SYS 489 TIP3 H1 A 0.417000 1.0079 + 1467 SYS 489 TIP3 H2 A 0.417000 1.0079 + 1468 SYS 490 TIP3 O1 C -0.834000 15.9994 + 1469 SYS 490 TIP3 H1 A 0.417000 1.0079 + 1470 SYS 490 TIP3 H2 A 0.417000 1.0079 + 1471 SYS 491 TIP3 O1 C -0.834000 15.9994 + 1472 SYS 491 TIP3 H1 A 0.417000 1.0079 + 1473 SYS 491 TIP3 H2 A 0.417000 1.0079 + 1474 SYS 492 TIP3 O1 C -0.834000 15.9994 + 1475 SYS 492 TIP3 H1 A 0.417000 1.0079 + 1476 SYS 492 TIP3 H2 A 0.417000 1.0079 + 1477 SYS 493 TIP3 O1 C -0.834000 15.9994 + 1478 SYS 493 TIP3 H1 A 0.417000 1.0079 + 1479 SYS 493 TIP3 H2 A 0.417000 1.0079 + 1480 SYS 494 TIP3 O1 C -0.834000 15.9994 + 1481 SYS 494 TIP3 H1 A 0.417000 1.0079 + 1482 SYS 494 TIP3 H2 A 0.417000 1.0079 + 1483 SYS 495 TIP3 O1 C -0.834000 15.9994 + 1484 SYS 495 TIP3 H1 A 0.417000 1.0079 + 1485 SYS 495 TIP3 H2 A 0.417000 1.0079 + 1486 SYS 496 TIP3 O1 C -0.834000 15.9994 + 1487 SYS 496 TIP3 H1 A 0.417000 1.0079 + 1488 SYS 496 TIP3 H2 A 0.417000 1.0079 + 1489 SYS 497 TIP3 O1 C -0.834000 15.9994 + 1490 SYS 497 TIP3 H1 A 0.417000 1.0079 + 1491 SYS 497 TIP3 H2 A 0.417000 1.0079 + 1492 SYS 498 TIP3 O1 C -0.834000 15.9994 + 1493 SYS 498 TIP3 H1 A 0.417000 1.0079 + 1494 SYS 498 TIP3 H2 A 0.417000 1.0079 + 1495 SYS 499 TIP3 O1 C -0.834000 15.9994 + 1496 SYS 499 TIP3 H1 A 0.417000 1.0079 + 1497 SYS 499 TIP3 H2 A 0.417000 1.0079 + 1498 SYS 500 TIP3 O1 C -0.834000 15.9994 + 1499 SYS 500 TIP3 H1 A 0.417000 1.0079 + 1500 SYS 500 TIP3 H2 A 0.417000 1.0079 + 1501 SYS 501 TIP3 O1 C -0.834000 15.9994 + 1502 SYS 501 TIP3 H1 A 0.417000 1.0079 + 1503 SYS 501 TIP3 H2 A 0.417000 1.0079 + 1504 SYS 502 TIP3 O1 C -0.834000 15.9994 + 1505 SYS 502 TIP3 H1 A 0.417000 1.0079 + 1506 SYS 502 TIP3 H2 A 0.417000 1.0079 + 1507 SYS 503 TIP3 O1 C -0.834000 15.9994 + 1508 SYS 503 TIP3 H1 A 0.417000 1.0079 + 1509 SYS 503 TIP3 H2 A 0.417000 1.0079 + 1510 SYS 504 TIP3 O1 C -0.834000 15.9994 + 1511 SYS 504 TIP3 H1 A 0.417000 1.0079 + 1512 SYS 504 TIP3 H2 A 0.417000 1.0079 + 1513 SYS 505 TIP3 O1 C -0.834000 15.9994 + 1514 SYS 505 TIP3 H1 A 0.417000 1.0079 + 1515 SYS 505 TIP3 H2 A 0.417000 1.0079 + 1516 SYS 506 TIP3 O1 C -0.834000 15.9994 + 1517 SYS 506 TIP3 H1 A 0.417000 1.0079 + 1518 SYS 506 TIP3 H2 A 0.417000 1.0079 + 1519 SYS 507 TIP3 O1 C -0.834000 15.9994 + 1520 SYS 507 TIP3 H1 A 0.417000 1.0079 + 1521 SYS 507 TIP3 H2 A 0.417000 1.0079 + 1522 SYS 508 TIP3 O1 C -0.834000 15.9994 + 1523 SYS 508 TIP3 H1 A 0.417000 1.0079 + 1524 SYS 508 TIP3 H2 A 0.417000 1.0079 + 1525 SYS 509 TIP3 O1 C -0.834000 15.9994 + 1526 SYS 509 TIP3 H1 A 0.417000 1.0079 + 1527 SYS 509 TIP3 H2 A 0.417000 1.0079 + 1528 SYS 510 TIP3 O1 C -0.834000 15.9994 + 1529 SYS 510 TIP3 H1 A 0.417000 1.0079 + 1530 SYS 510 TIP3 H2 A 0.417000 1.0079 + 1531 SYS 511 TIP3 O1 C -0.834000 15.9994 + 1532 SYS 511 TIP3 H1 A 0.417000 1.0079 + 1533 SYS 511 TIP3 H2 A 0.417000 1.0079 + 1534 SYS 512 TIP3 O1 C -0.834000 15.9994 + 1535 SYS 512 TIP3 H1 A 0.417000 1.0079 + 1536 SYS 512 TIP3 H2 A 0.417000 1.0079 + 1537 SYS 513 TIP3 O1 C -0.834000 15.9994 + 1538 SYS 513 TIP3 H1 A 0.417000 1.0079 + 1539 SYS 513 TIP3 H2 A 0.417000 1.0079 + 1540 SYS 514 TIP3 O1 C -0.834000 15.9994 + 1541 SYS 514 TIP3 H1 A 0.417000 1.0079 + 1542 SYS 514 TIP3 H2 A 0.417000 1.0079 + 1543 SYS 515 TIP3 O1 C -0.834000 15.9994 + 1544 SYS 515 TIP3 H1 A 0.417000 1.0079 + 1545 SYS 515 TIP3 H2 A 0.417000 1.0079 + 1546 SYS 516 TIP3 O1 C -0.834000 15.9994 + 1547 SYS 516 TIP3 H1 A 0.417000 1.0079 + 1548 SYS 516 TIP3 H2 A 0.417000 1.0079 + 1549 SYS 517 TIP3 O1 C -0.834000 15.9994 + 1550 SYS 517 TIP3 H1 A 0.417000 1.0079 + 1551 SYS 517 TIP3 H2 A 0.417000 1.0079 + 1552 SYS 518 TIP3 O1 C -0.834000 15.9994 + 1553 SYS 518 TIP3 H1 A 0.417000 1.0079 + 1554 SYS 518 TIP3 H2 A 0.417000 1.0079 + 1555 SYS 519 TIP3 O1 C -0.834000 15.9994 + 1556 SYS 519 TIP3 H1 A 0.417000 1.0079 + 1557 SYS 519 TIP3 H2 A 0.417000 1.0079 + 1558 SYS 520 TIP3 O1 C -0.834000 15.9994 + 1559 SYS 520 TIP3 H1 A 0.417000 1.0079 + 1560 SYS 520 TIP3 H2 A 0.417000 1.0079 + 1561 SYS 521 TIP3 O1 C -0.834000 15.9994 + 1562 SYS 521 TIP3 H1 A 0.417000 1.0079 + 1563 SYS 521 TIP3 H2 A 0.417000 1.0079 + 1564 SYS 522 TIP3 O1 C -0.834000 15.9994 + 1565 SYS 522 TIP3 H1 A 0.417000 1.0079 + 1566 SYS 522 TIP3 H2 A 0.417000 1.0079 + 1567 SYS 523 TIP3 O1 C -0.834000 15.9994 + 1568 SYS 523 TIP3 H1 A 0.417000 1.0079 + 1569 SYS 523 TIP3 H2 A 0.417000 1.0079 + 1570 SYS 524 TIP3 O1 C -0.834000 15.9994 + 1571 SYS 524 TIP3 H1 A 0.417000 1.0079 + 1572 SYS 524 TIP3 H2 A 0.417000 1.0079 + 1573 SYS 525 TIP3 O1 C -0.834000 15.9994 + 1574 SYS 525 TIP3 H1 A 0.417000 1.0079 + 1575 SYS 525 TIP3 H2 A 0.417000 1.0079 + 1576 SYS 526 TIP3 O1 C -0.834000 15.9994 + 1577 SYS 526 TIP3 H1 A 0.417000 1.0079 + 1578 SYS 526 TIP3 H2 A 0.417000 1.0079 + 1579 SYS 527 TIP3 O1 C -0.834000 15.9994 + 1580 SYS 527 TIP3 H1 A 0.417000 1.0079 + 1581 SYS 527 TIP3 H2 A 0.417000 1.0079 + 1582 SYS 528 TIP3 O1 C -0.834000 15.9994 + 1583 SYS 528 TIP3 H1 A 0.417000 1.0079 + 1584 SYS 528 TIP3 H2 A 0.417000 1.0079 + 1585 SYS 529 TIP3 O1 C -0.834000 15.9994 + 1586 SYS 529 TIP3 H1 A 0.417000 1.0079 + 1587 SYS 529 TIP3 H2 A 0.417000 1.0079 + 1588 SYS 530 TIP3 O1 C -0.834000 15.9994 + 1589 SYS 530 TIP3 H1 A 0.417000 1.0079 + 1590 SYS 530 TIP3 H2 A 0.417000 1.0079 + 1591 SYS 531 TIP3 O1 C -0.834000 15.9994 + 1592 SYS 531 TIP3 H1 A 0.417000 1.0079 + 1593 SYS 531 TIP3 H2 A 0.417000 1.0079 + 1594 SYS 532 TIP3 O1 C -0.834000 15.9994 + 1595 SYS 532 TIP3 H1 A 0.417000 1.0079 + 1596 SYS 532 TIP3 H2 A 0.417000 1.0079 + 1597 SYS 533 TIP3 O1 C -0.834000 15.9994 + 1598 SYS 533 TIP3 H1 A 0.417000 1.0079 + 1599 SYS 533 TIP3 H2 A 0.417000 1.0079 + 1600 SYS 534 TIP3 O1 C -0.834000 15.9994 + 1601 SYS 534 TIP3 H1 A 0.417000 1.0079 + 1602 SYS 534 TIP3 H2 A 0.417000 1.0079 + 1603 SYS 535 TIP3 O1 C -0.834000 15.9994 + 1604 SYS 535 TIP3 H1 A 0.417000 1.0079 + 1605 SYS 535 TIP3 H2 A 0.417000 1.0079 + 1606 SYS 536 TIP3 O1 C -0.834000 15.9994 + 1607 SYS 536 TIP3 H1 A 0.417000 1.0079 + 1608 SYS 536 TIP3 H2 A 0.417000 1.0079 + 1609 SYS 537 TIP3 O1 C -0.834000 15.9994 + 1610 SYS 537 TIP3 H1 A 0.417000 1.0079 + 1611 SYS 537 TIP3 H2 A 0.417000 1.0079 + 1612 SYS 538 TIP3 O1 C -0.834000 15.9994 + 1613 SYS 538 TIP3 H1 A 0.417000 1.0079 + 1614 SYS 538 TIP3 H2 A 0.417000 1.0079 + 1615 SYS 539 TIP3 O1 C -0.834000 15.9994 + 1616 SYS 539 TIP3 H1 A 0.417000 1.0079 + 1617 SYS 539 TIP3 H2 A 0.417000 1.0079 + 1618 SYS 540 TIP3 O1 C -0.834000 15.9994 + 1619 SYS 540 TIP3 H1 A 0.417000 1.0079 + 1620 SYS 540 TIP3 H2 A 0.417000 1.0079 + 1621 SYS 541 TIP3 O1 C -0.834000 15.9994 + 1622 SYS 541 TIP3 H1 A 0.417000 1.0079 + 1623 SYS 541 TIP3 H2 A 0.417000 1.0079 + 1624 SYS 542 TIP3 O1 C -0.834000 15.9994 + 1625 SYS 542 TIP3 H1 A 0.417000 1.0079 + 1626 SYS 542 TIP3 H2 A 0.417000 1.0079 + 1627 SYS 543 TIP3 O1 C -0.834000 15.9994 + 1628 SYS 543 TIP3 H1 A 0.417000 1.0079 + 1629 SYS 543 TIP3 H2 A 0.417000 1.0079 + 1630 SYS 544 TIP3 O1 C -0.834000 15.9994 + 1631 SYS 544 TIP3 H1 A 0.417000 1.0079 + 1632 SYS 544 TIP3 H2 A 0.417000 1.0079 + 1633 SYS 545 TIP3 O1 C -0.834000 15.9994 + 1634 SYS 545 TIP3 H1 A 0.417000 1.0079 + 1635 SYS 545 TIP3 H2 A 0.417000 1.0079 + 1636 SYS 546 TIP3 O1 C -0.834000 15.9994 + 1637 SYS 546 TIP3 H1 A 0.417000 1.0079 + 1638 SYS 546 TIP3 H2 A 0.417000 1.0079 + 1639 SYS 547 TIP3 O1 C -0.834000 15.9994 + 1640 SYS 547 TIP3 H1 A 0.417000 1.0079 + 1641 SYS 547 TIP3 H2 A 0.417000 1.0079 + 1642 SYS 548 TIP3 O1 C -0.834000 15.9994 + 1643 SYS 548 TIP3 H1 A 0.417000 1.0079 + 1644 SYS 548 TIP3 H2 A 0.417000 1.0079 + 1645 SYS 549 TIP3 O1 C -0.834000 15.9994 + 1646 SYS 549 TIP3 H1 A 0.417000 1.0079 + 1647 SYS 549 TIP3 H2 A 0.417000 1.0079 + 1648 SYS 550 TIP3 O1 C -0.834000 15.9994 + 1649 SYS 550 TIP3 H1 A 0.417000 1.0079 + 1650 SYS 550 TIP3 H2 A 0.417000 1.0079 + 1651 SYS 551 TIP3 O1 C -0.834000 15.9994 + 1652 SYS 551 TIP3 H1 A 0.417000 1.0079 + 1653 SYS 551 TIP3 H2 A 0.417000 1.0079 + 1654 SYS 552 TIP3 O1 C -0.834000 15.9994 + 1655 SYS 552 TIP3 H1 A 0.417000 1.0079 + 1656 SYS 552 TIP3 H2 A 0.417000 1.0079 + 1657 SYS 553 TIP3 O1 C -0.834000 15.9994 + 1658 SYS 553 TIP3 H1 A 0.417000 1.0079 + 1659 SYS 553 TIP3 H2 A 0.417000 1.0079 + 1660 SYS 554 TIP3 O1 C -0.834000 15.9994 + 1661 SYS 554 TIP3 H1 A 0.417000 1.0079 + 1662 SYS 554 TIP3 H2 A 0.417000 1.0079 + 1663 SYS 555 TIP3 O1 C -0.834000 15.9994 + 1664 SYS 555 TIP3 H1 A 0.417000 1.0079 + 1665 SYS 555 TIP3 H2 A 0.417000 1.0079 + 1666 SYS 556 TIP3 O1 C -0.834000 15.9994 + 1667 SYS 556 TIP3 H1 A 0.417000 1.0079 + 1668 SYS 556 TIP3 H2 A 0.417000 1.0079 + 1669 SYS 557 TIP3 O1 C -0.834000 15.9994 + 1670 SYS 557 TIP3 H1 A 0.417000 1.0079 + 1671 SYS 557 TIP3 H2 A 0.417000 1.0079 + 1672 SYS 558 TIP3 O1 C -0.834000 15.9994 + 1673 SYS 558 TIP3 H1 A 0.417000 1.0079 + 1674 SYS 558 TIP3 H2 A 0.417000 1.0079 + 1675 SYS 559 TIP3 O1 C -0.834000 15.9994 + 1676 SYS 559 TIP3 H1 A 0.417000 1.0079 + 1677 SYS 559 TIP3 H2 A 0.417000 1.0079 + 1678 SYS 560 TIP3 O1 C -0.834000 15.9994 + 1679 SYS 560 TIP3 H1 A 0.417000 1.0079 + 1680 SYS 560 TIP3 H2 A 0.417000 1.0079 + 1681 SYS 561 TIP3 O1 C -0.834000 15.9994 + 1682 SYS 561 TIP3 H1 A 0.417000 1.0079 + 1683 SYS 561 TIP3 H2 A 0.417000 1.0079 + 1684 SYS 562 TIP3 O1 C -0.834000 15.9994 + 1685 SYS 562 TIP3 H1 A 0.417000 1.0079 + 1686 SYS 562 TIP3 H2 A 0.417000 1.0079 + 1687 SYS 563 TIP3 O1 C -0.834000 15.9994 + 1688 SYS 563 TIP3 H1 A 0.417000 1.0079 + 1689 SYS 563 TIP3 H2 A 0.417000 1.0079 + 1690 SYS 564 TIP3 O1 C -0.834000 15.9994 + 1691 SYS 564 TIP3 H1 A 0.417000 1.0079 + 1692 SYS 564 TIP3 H2 A 0.417000 1.0079 + 1693 SYS 565 TIP3 O1 C -0.834000 15.9994 + 1694 SYS 565 TIP3 H1 A 0.417000 1.0079 + 1695 SYS 565 TIP3 H2 A 0.417000 1.0079 + 1696 SYS 566 TIP3 O1 C -0.834000 15.9994 + 1697 SYS 566 TIP3 H1 A 0.417000 1.0079 + 1698 SYS 566 TIP3 H2 A 0.417000 1.0079 + 1699 SYS 567 TIP3 O1 C -0.834000 15.9994 + 1700 SYS 567 TIP3 H1 A 0.417000 1.0079 + 1701 SYS 567 TIP3 H2 A 0.417000 1.0079 + 1702 SYS 568 TIP3 O1 C -0.834000 15.9994 + 1703 SYS 568 TIP3 H1 A 0.417000 1.0079 + 1704 SYS 568 TIP3 H2 A 0.417000 1.0079 + 1705 SYS 569 TIP3 O1 C -0.834000 15.9994 + 1706 SYS 569 TIP3 H1 A 0.417000 1.0079 + 1707 SYS 569 TIP3 H2 A 0.417000 1.0079 + 1708 SYS 570 TIP3 O1 C -0.834000 15.9994 + 1709 SYS 570 TIP3 H1 A 0.417000 1.0079 + 1710 SYS 570 TIP3 H2 A 0.417000 1.0079 + 1711 SYS 571 TIP3 O1 C -0.834000 15.9994 + 1712 SYS 571 TIP3 H1 A 0.417000 1.0079 + 1713 SYS 571 TIP3 H2 A 0.417000 1.0079 + 1714 SYS 572 TIP3 O1 C -0.834000 15.9994 + 1715 SYS 572 TIP3 H1 A 0.417000 1.0079 + 1716 SYS 572 TIP3 H2 A 0.417000 1.0079 + 1717 SYS 573 TIP3 O1 C -0.834000 15.9994 + 1718 SYS 573 TIP3 H1 A 0.417000 1.0079 + 1719 SYS 573 TIP3 H2 A 0.417000 1.0079 + 1720 SYS 574 TIP3 O1 C -0.834000 15.9994 + 1721 SYS 574 TIP3 H1 A 0.417000 1.0079 + 1722 SYS 574 TIP3 H2 A 0.417000 1.0079 + 1723 SYS 575 TIP3 O1 C -0.834000 15.9994 + 1724 SYS 575 TIP3 H1 A 0.417000 1.0079 + 1725 SYS 575 TIP3 H2 A 0.417000 1.0079 + 1726 SYS 576 TIP3 O1 C -0.834000 15.9994 + 1727 SYS 576 TIP3 H1 A 0.417000 1.0079 + 1728 SYS 576 TIP3 H2 A 0.417000 1.0079 + 1729 SYS 577 TIP3 O1 C -0.834000 15.9994 + 1730 SYS 577 TIP3 H1 A 0.417000 1.0079 + 1731 SYS 577 TIP3 H2 A 0.417000 1.0079 + 1732 SYS 578 TIP3 O1 C -0.834000 15.9994 + 1733 SYS 578 TIP3 H1 A 0.417000 1.0079 + 1734 SYS 578 TIP3 H2 A 0.417000 1.0079 + 1735 SYS 579 TIP3 O1 C -0.834000 15.9994 + 1736 SYS 579 TIP3 H1 A 0.417000 1.0079 + 1737 SYS 579 TIP3 H2 A 0.417000 1.0079 + 1738 SYS 580 TIP3 O1 C -0.834000 15.9994 + 1739 SYS 580 TIP3 H1 A 0.417000 1.0079 + 1740 SYS 580 TIP3 H2 A 0.417000 1.0079 + 1741 SYS 581 TIP3 O1 C -0.834000 15.9994 + 1742 SYS 581 TIP3 H1 A 0.417000 1.0079 + 1743 SYS 581 TIP3 H2 A 0.417000 1.0079 + 1744 SYS 582 TIP3 O1 C -0.834000 15.9994 + 1745 SYS 582 TIP3 H1 A 0.417000 1.0079 + 1746 SYS 582 TIP3 H2 A 0.417000 1.0079 + 1747 SYS 583 TIP3 O1 C -0.834000 15.9994 + 1748 SYS 583 TIP3 H1 A 0.417000 1.0079 + 1749 SYS 583 TIP3 H2 A 0.417000 1.0079 + 1750 SYS 584 TIP3 O1 C -0.834000 15.9994 + 1751 SYS 584 TIP3 H1 A 0.417000 1.0079 + 1752 SYS 584 TIP3 H2 A 0.417000 1.0079 + 1753 SYS 585 TIP3 O1 C -0.834000 15.9994 + 1754 SYS 585 TIP3 H1 A 0.417000 1.0079 + 1755 SYS 585 TIP3 H2 A 0.417000 1.0079 + 1756 SYS 586 TIP3 O1 C -0.834000 15.9994 + 1757 SYS 586 TIP3 H1 A 0.417000 1.0079 + 1758 SYS 586 TIP3 H2 A 0.417000 1.0079 + 1759 SYS 587 TIP3 O1 C -0.834000 15.9994 + 1760 SYS 587 TIP3 H1 A 0.417000 1.0079 + 1761 SYS 587 TIP3 H2 A 0.417000 1.0079 + 1762 SYS 588 TIP3 O1 C -0.834000 15.9994 + 1763 SYS 588 TIP3 H1 A 0.417000 1.0079 + 1764 SYS 588 TIP3 H2 A 0.417000 1.0079 + 1765 SYS 589 TIP3 O1 C -0.834000 15.9994 + 1766 SYS 589 TIP3 H1 A 0.417000 1.0079 + 1767 SYS 589 TIP3 H2 A 0.417000 1.0079 + 1768 SYS 590 TIP3 O1 C -0.834000 15.9994 + 1769 SYS 590 TIP3 H1 A 0.417000 1.0079 + 1770 SYS 590 TIP3 H2 A 0.417000 1.0079 + 1771 SYS 591 TIP3 O1 C -0.834000 15.9994 + 1772 SYS 591 TIP3 H1 A 0.417000 1.0079 + 1773 SYS 591 TIP3 H2 A 0.417000 1.0079 + 1774 SYS 592 TIP3 O1 C -0.834000 15.9994 + 1775 SYS 592 TIP3 H1 A 0.417000 1.0079 + 1776 SYS 592 TIP3 H2 A 0.417000 1.0079 + 1777 SYS 593 TIP3 O1 C -0.834000 15.9994 + 1778 SYS 593 TIP3 H1 A 0.417000 1.0079 + 1779 SYS 593 TIP3 H2 A 0.417000 1.0079 + 1780 SYS 594 TIP3 O1 C -0.834000 15.9994 + 1781 SYS 594 TIP3 H1 A 0.417000 1.0079 + 1782 SYS 594 TIP3 H2 A 0.417000 1.0079 + 1783 SYS 595 TIP3 O1 C -0.834000 15.9994 + 1784 SYS 595 TIP3 H1 A 0.417000 1.0079 + 1785 SYS 595 TIP3 H2 A 0.417000 1.0079 + 1786 SYS 596 TIP3 O1 C -0.834000 15.9994 + 1787 SYS 596 TIP3 H1 A 0.417000 1.0079 + 1788 SYS 596 TIP3 H2 A 0.417000 1.0079 + 1789 SYS 597 TIP3 O1 C -0.834000 15.9994 + 1790 SYS 597 TIP3 H1 A 0.417000 1.0079 + 1791 SYS 597 TIP3 H2 A 0.417000 1.0079 + 1792 SYS 598 TIP3 O1 C -0.834000 15.9994 + 1793 SYS 598 TIP3 H1 A 0.417000 1.0079 + 1794 SYS 598 TIP3 H2 A 0.417000 1.0079 + 1795 SYS 599 TIP3 O1 C -0.834000 15.9994 + 1796 SYS 599 TIP3 H1 A 0.417000 1.0079 + 1797 SYS 599 TIP3 H2 A 0.417000 1.0079 + 1798 SYS 600 TIP3 O1 C -0.834000 15.9994 + 1799 SYS 600 TIP3 H1 A 0.417000 1.0079 + 1800 SYS 600 TIP3 H2 A 0.417000 1.0079 + 1801 SYS 601 TIP3 O1 C -0.834000 15.9994 + 1802 SYS 601 TIP3 H1 A 0.417000 1.0079 + 1803 SYS 601 TIP3 H2 A 0.417000 1.0079 + 1804 SYS 602 TIP3 O1 C -0.834000 15.9994 + 1805 SYS 602 TIP3 H1 A 0.417000 1.0079 + 1806 SYS 602 TIP3 H2 A 0.417000 1.0079 + 1807 SYS 603 TIP3 O1 C -0.834000 15.9994 + 1808 SYS 603 TIP3 H1 A 0.417000 1.0079 + 1809 SYS 603 TIP3 H2 A 0.417000 1.0079 + 1810 SYS 604 TIP3 O1 C -0.834000 15.9994 + 1811 SYS 604 TIP3 H1 A 0.417000 1.0079 + 1812 SYS 604 TIP3 H2 A 0.417000 1.0079 + 1813 SYS 605 TIP3 O1 C -0.834000 15.9994 + 1814 SYS 605 TIP3 H1 A 0.417000 1.0079 + 1815 SYS 605 TIP3 H2 A 0.417000 1.0079 + 1816 SYS 606 TIP3 O1 C -0.834000 15.9994 + 1817 SYS 606 TIP3 H1 A 0.417000 1.0079 + 1818 SYS 606 TIP3 H2 A 0.417000 1.0079 + 1819 SYS 607 TIP3 O1 C -0.834000 15.9994 + 1820 SYS 607 TIP3 H1 A 0.417000 1.0079 + 1821 SYS 607 TIP3 H2 A 0.417000 1.0079 + 1822 SYS 608 TIP3 O1 C -0.834000 15.9994 + 1823 SYS 608 TIP3 H1 A 0.417000 1.0079 + 1824 SYS 608 TIP3 H2 A 0.417000 1.0079 + 1825 SYS 609 TIP3 O1 C -0.834000 15.9994 + 1826 SYS 609 TIP3 H1 A 0.417000 1.0079 + 1827 SYS 609 TIP3 H2 A 0.417000 1.0079 + 1828 SYS 610 TIP3 O1 C -0.834000 15.9994 + 1829 SYS 610 TIP3 H1 A 0.417000 1.0079 + 1830 SYS 610 TIP3 H2 A 0.417000 1.0079 + 1831 SYS 611 TIP3 O1 C -0.834000 15.9994 + 1832 SYS 611 TIP3 H1 A 0.417000 1.0079 + 1833 SYS 611 TIP3 H2 A 0.417000 1.0079 + 1834 SYS 612 TIP3 O1 C -0.834000 15.9994 + 1835 SYS 612 TIP3 H1 A 0.417000 1.0079 + 1836 SYS 612 TIP3 H2 A 0.417000 1.0079 + 1837 SYS 613 TIP3 O1 C -0.834000 15.9994 + 1838 SYS 613 TIP3 H1 A 0.417000 1.0079 + 1839 SYS 613 TIP3 H2 A 0.417000 1.0079 + 1840 SYS 614 TIP3 O1 C -0.834000 15.9994 + 1841 SYS 614 TIP3 H1 A 0.417000 1.0079 + 1842 SYS 614 TIP3 H2 A 0.417000 1.0079 + 1843 SYS 615 TIP3 O1 C -0.834000 15.9994 + 1844 SYS 615 TIP3 H1 A 0.417000 1.0079 + 1845 SYS 615 TIP3 H2 A 0.417000 1.0079 + 1846 SYS 616 TIP3 O1 C -0.834000 15.9994 + 1847 SYS 616 TIP3 H1 A 0.417000 1.0079 + 1848 SYS 616 TIP3 H2 A 0.417000 1.0079 + 1849 SYS 617 TIP3 O1 C -0.834000 15.9994 + 1850 SYS 617 TIP3 H1 A 0.417000 1.0079 + 1851 SYS 617 TIP3 H2 A 0.417000 1.0079 + 1852 SYS 618 TIP3 O1 C -0.834000 15.9994 + 1853 SYS 618 TIP3 H1 A 0.417000 1.0079 + 1854 SYS 618 TIP3 H2 A 0.417000 1.0079 + 1855 SYS 619 TIP3 O1 C -0.834000 15.9994 + 1856 SYS 619 TIP3 H1 A 0.417000 1.0079 + 1857 SYS 619 TIP3 H2 A 0.417000 1.0079 + 1858 SYS 620 TIP3 O1 C -0.834000 15.9994 + 1859 SYS 620 TIP3 H1 A 0.417000 1.0079 + 1860 SYS 620 TIP3 H2 A 0.417000 1.0079 + 1861 SYS 621 TIP3 O1 C -0.834000 15.9994 + 1862 SYS 621 TIP3 H1 A 0.417000 1.0079 + 1863 SYS 621 TIP3 H2 A 0.417000 1.0079 + 1864 SYS 622 TIP3 O1 C -0.834000 15.9994 + 1865 SYS 622 TIP3 H1 A 0.417000 1.0079 + 1866 SYS 622 TIP3 H2 A 0.417000 1.0079 + 1867 SYS 623 TIP3 O1 C -0.834000 15.9994 + 1868 SYS 623 TIP3 H1 A 0.417000 1.0079 + 1869 SYS 623 TIP3 H2 A 0.417000 1.0079 + 1870 SYS 624 TIP3 O1 C -0.834000 15.9994 + 1871 SYS 624 TIP3 H1 A 0.417000 1.0079 + 1872 SYS 624 TIP3 H2 A 0.417000 1.0079 + 1873 SYS 625 TIP3 O1 C -0.834000 15.9994 + 1874 SYS 625 TIP3 H1 A 0.417000 1.0079 + 1875 SYS 625 TIP3 H2 A 0.417000 1.0079 + 1876 SYS 626 TIP3 O1 C -0.834000 15.9994 + 1877 SYS 626 TIP3 H1 A 0.417000 1.0079 + 1878 SYS 626 TIP3 H2 A 0.417000 1.0079 + 1879 SYS 627 TIP3 O1 C -0.834000 15.9994 + 1880 SYS 627 TIP3 H1 A 0.417000 1.0079 + 1881 SYS 627 TIP3 H2 A 0.417000 1.0079 + 1882 SYS 628 TIP3 O1 C -0.834000 15.9994 + 1883 SYS 628 TIP3 H1 A 0.417000 1.0079 + 1884 SYS 628 TIP3 H2 A 0.417000 1.0079 + 1885 SYS 629 TIP3 O1 C -0.834000 15.9994 + 1886 SYS 629 TIP3 H1 A 0.417000 1.0079 + 1887 SYS 629 TIP3 H2 A 0.417000 1.0079 + 1888 SYS 630 TIP3 O1 C -0.834000 15.9994 + 1889 SYS 630 TIP3 H1 A 0.417000 1.0079 + 1890 SYS 630 TIP3 H2 A 0.417000 1.0079 + 1891 SYS 631 TIP3 O1 C -0.834000 15.9994 + 1892 SYS 631 TIP3 H1 A 0.417000 1.0079 + 1893 SYS 631 TIP3 H2 A 0.417000 1.0079 + 1894 SYS 632 TIP3 O1 C -0.834000 15.9994 + 1895 SYS 632 TIP3 H1 A 0.417000 1.0079 + 1896 SYS 632 TIP3 H2 A 0.417000 1.0079 + 1897 SYS 633 TIP3 O1 C -0.834000 15.9994 + 1898 SYS 633 TIP3 H1 A 0.417000 1.0079 + 1899 SYS 633 TIP3 H2 A 0.417000 1.0079 + 1900 SYS 634 TIP3 O1 C -0.834000 15.9994 + 1901 SYS 634 TIP3 H1 A 0.417000 1.0079 + 1902 SYS 634 TIP3 H2 A 0.417000 1.0079 + 1903 SYS 635 TIP3 O1 C -0.834000 15.9994 + 1904 SYS 635 TIP3 H1 A 0.417000 1.0079 + 1905 SYS 635 TIP3 H2 A 0.417000 1.0079 + 1906 SYS 636 TIP3 O1 C -0.834000 15.9994 + 1907 SYS 636 TIP3 H1 A 0.417000 1.0079 + 1908 SYS 636 TIP3 H2 A 0.417000 1.0079 + 1909 SYS 637 TIP3 O1 C -0.834000 15.9994 + 1910 SYS 637 TIP3 H1 A 0.417000 1.0079 + 1911 SYS 637 TIP3 H2 A 0.417000 1.0079 + 1912 SYS 638 TIP3 O1 C -0.834000 15.9994 + 1913 SYS 638 TIP3 H1 A 0.417000 1.0079 + 1914 SYS 638 TIP3 H2 A 0.417000 1.0079 + 1915 SYS 639 TIP3 O1 C -0.834000 15.9994 + 1916 SYS 639 TIP3 H1 A 0.417000 1.0079 + 1917 SYS 639 TIP3 H2 A 0.417000 1.0079 + 1918 SYS 640 TIP3 O1 C -0.834000 15.9994 + 1919 SYS 640 TIP3 H1 A 0.417000 1.0079 + 1920 SYS 640 TIP3 H2 A 0.417000 1.0079 + 1921 SYS 641 TIP3 O1 C -0.834000 15.9994 + 1922 SYS 641 TIP3 H1 A 0.417000 1.0079 + 1923 SYS 641 TIP3 H2 A 0.417000 1.0079 + 1924 SYS 642 TIP3 O1 C -0.834000 15.9994 + 1925 SYS 642 TIP3 H1 A 0.417000 1.0079 + 1926 SYS 642 TIP3 H2 A 0.417000 1.0079 + 1927 SYS 643 TIP3 O1 C -0.834000 15.9994 + 1928 SYS 643 TIP3 H1 A 0.417000 1.0079 + 1929 SYS 643 TIP3 H2 A 0.417000 1.0079 + 1930 SYS 644 TIP3 O1 C -0.834000 15.9994 + 1931 SYS 644 TIP3 H1 A 0.417000 1.0079 + 1932 SYS 644 TIP3 H2 A 0.417000 1.0079 + 1933 SYS 645 TIP3 O1 C -0.834000 15.9994 + 1934 SYS 645 TIP3 H1 A 0.417000 1.0079 + 1935 SYS 645 TIP3 H2 A 0.417000 1.0079 + 1936 SYS 646 TIP3 O1 C -0.834000 15.9994 + 1937 SYS 646 TIP3 H1 A 0.417000 1.0079 + 1938 SYS 646 TIP3 H2 A 0.417000 1.0079 + 1939 SYS 647 TIP3 O1 C -0.834000 15.9994 + 1940 SYS 647 TIP3 H1 A 0.417000 1.0079 + 1941 SYS 647 TIP3 H2 A 0.417000 1.0079 + 1942 SYS 648 TIP3 O1 C -0.834000 15.9994 + 1943 SYS 648 TIP3 H1 A 0.417000 1.0079 + 1944 SYS 648 TIP3 H2 A 0.417000 1.0079 + 1945 SYS 649 TIP3 O1 C -0.834000 15.9994 + 1946 SYS 649 TIP3 H1 A 0.417000 1.0079 + 1947 SYS 649 TIP3 H2 A 0.417000 1.0079 + 1948 SYS 650 TIP3 O1 C -0.834000 15.9994 + 1949 SYS 650 TIP3 H1 A 0.417000 1.0079 + 1950 SYS 650 TIP3 H2 A 0.417000 1.0079 + 1951 SYS 651 TIP3 O1 C -0.834000 15.9994 + 1952 SYS 651 TIP3 H1 A 0.417000 1.0079 + 1953 SYS 651 TIP3 H2 A 0.417000 1.0079 + 1954 SYS 652 TIP3 O1 C -0.834000 15.9994 + 1955 SYS 652 TIP3 H1 A 0.417000 1.0079 + 1956 SYS 652 TIP3 H2 A 0.417000 1.0079 + 1957 SYS 653 TIP3 O1 C -0.834000 15.9994 + 1958 SYS 653 TIP3 H1 A 0.417000 1.0079 + 1959 SYS 653 TIP3 H2 A 0.417000 1.0079 + 1960 SYS 654 TIP3 O1 C -0.834000 15.9994 + 1961 SYS 654 TIP3 H1 A 0.417000 1.0079 + 1962 SYS 654 TIP3 H2 A 0.417000 1.0079 + 1963 SYS 655 TIP3 O1 C -0.834000 15.9994 + 1964 SYS 655 TIP3 H1 A 0.417000 1.0079 + 1965 SYS 655 TIP3 H2 A 0.417000 1.0079 + 1966 SYS 656 TIP3 O1 C -0.834000 15.9994 + 1967 SYS 656 TIP3 H1 A 0.417000 1.0079 + 1968 SYS 656 TIP3 H2 A 0.417000 1.0079 + 1969 SYS 657 TIP3 O1 C -0.834000 15.9994 + 1970 SYS 657 TIP3 H1 A 0.417000 1.0079 + 1971 SYS 657 TIP3 H2 A 0.417000 1.0079 + 1972 SYS 658 TIP3 O1 C -0.834000 15.9994 + 1973 SYS 658 TIP3 H1 A 0.417000 1.0079 + 1974 SYS 658 TIP3 H2 A 0.417000 1.0079 + 1975 SYS 659 TIP3 O1 C -0.834000 15.9994 + 1976 SYS 659 TIP3 H1 A 0.417000 1.0079 + 1977 SYS 659 TIP3 H2 A 0.417000 1.0079 + 1978 SYS 660 TIP3 O1 C -0.834000 15.9994 + 1979 SYS 660 TIP3 H1 A 0.417000 1.0079 + 1980 SYS 660 TIP3 H2 A 0.417000 1.0079 + 1981 SYS 661 TIP3 O1 C -0.834000 15.9994 + 1982 SYS 661 TIP3 H1 A 0.417000 1.0079 + 1983 SYS 661 TIP3 H2 A 0.417000 1.0079 + 1984 SYS 662 TIP3 O1 C -0.834000 15.9994 + 1985 SYS 662 TIP3 H1 A 0.417000 1.0079 + 1986 SYS 662 TIP3 H2 A 0.417000 1.0079 + 1987 SYS 663 TIP3 O1 C -0.834000 15.9994 + 1988 SYS 663 TIP3 H1 A 0.417000 1.0079 + 1989 SYS 663 TIP3 H2 A 0.417000 1.0079 + 1990 SYS 664 TIP3 O1 C -0.834000 15.9994 + 1991 SYS 664 TIP3 H1 A 0.417000 1.0079 + 1992 SYS 664 TIP3 H2 A 0.417000 1.0079 + 1993 SYS 665 TIP3 O1 C -0.834000 15.9994 + 1994 SYS 665 TIP3 H1 A 0.417000 1.0079 + 1995 SYS 665 TIP3 H2 A 0.417000 1.0079 + 1996 SYS 666 TIP3 O1 C -0.834000 15.9994 + 1997 SYS 666 TIP3 H1 A 0.417000 1.0079 + 1998 SYS 666 TIP3 H2 A 0.417000 1.0079 + 1999 SYS 667 TIP3 O1 C -0.834000 15.9994 + 2000 SYS 667 TIP3 H1 A 0.417000 1.0079 + 2001 SYS 667 TIP3 H2 A 0.417000 1.0079 + 2002 SYS 668 TIP3 O1 C -0.834000 15.9994 + 2003 SYS 668 TIP3 H1 A 0.417000 1.0079 + 2004 SYS 668 TIP3 H2 A 0.417000 1.0079 + 2005 SYS 669 TIP3 O1 C -0.834000 15.9994 + 2006 SYS 669 TIP3 H1 A 0.417000 1.0079 + 2007 SYS 669 TIP3 H2 A 0.417000 1.0079 + 2008 SYS 670 TIP3 O1 C -0.834000 15.9994 + 2009 SYS 670 TIP3 H1 A 0.417000 1.0079 + 2010 SYS 670 TIP3 H2 A 0.417000 1.0079 + 2011 SYS 671 TIP3 O1 C -0.834000 15.9994 + 2012 SYS 671 TIP3 H1 A 0.417000 1.0079 + 2013 SYS 671 TIP3 H2 A 0.417000 1.0079 + 2014 SYS 672 TIP3 O1 C -0.834000 15.9994 + 2015 SYS 672 TIP3 H1 A 0.417000 1.0079 + 2016 SYS 672 TIP3 H2 A 0.417000 1.0079 + 2017 SYS 673 TIP3 O1 C -0.834000 15.9994 + 2018 SYS 673 TIP3 H1 A 0.417000 1.0079 + 2019 SYS 673 TIP3 H2 A 0.417000 1.0079 + 2020 SYS 674 TIP3 O1 C -0.834000 15.9994 + 2021 SYS 674 TIP3 H1 A 0.417000 1.0079 + 2022 SYS 674 TIP3 H2 A 0.417000 1.0079 + 2023 SYS 675 TIP3 O1 C -0.834000 15.9994 + 2024 SYS 675 TIP3 H1 A 0.417000 1.0079 + 2025 SYS 675 TIP3 H2 A 0.417000 1.0079 + 2026 SYS 676 TIP3 O1 C -0.834000 15.9994 + 2027 SYS 676 TIP3 H1 A 0.417000 1.0079 + 2028 SYS 676 TIP3 H2 A 0.417000 1.0079 + 2029 SYS 677 TIP3 O1 C -0.834000 15.9994 + 2030 SYS 677 TIP3 H1 A 0.417000 1.0079 + 2031 SYS 677 TIP3 H2 A 0.417000 1.0079 + 2032 SYS 678 TIP3 O1 C -0.834000 15.9994 + 2033 SYS 678 TIP3 H1 A 0.417000 1.0079 + 2034 SYS 678 TIP3 H2 A 0.417000 1.0079 + 2035 SYS 679 TIP3 O1 C -0.834000 15.9994 + 2036 SYS 679 TIP3 H1 A 0.417000 1.0079 + 2037 SYS 679 TIP3 H2 A 0.417000 1.0079 + 2038 SYS 680 TIP3 O1 C -0.834000 15.9994 + 2039 SYS 680 TIP3 H1 A 0.417000 1.0079 + 2040 SYS 680 TIP3 H2 A 0.417000 1.0079 + 2041 SYS 681 TIP3 O1 C -0.834000 15.9994 + 2042 SYS 681 TIP3 H1 A 0.417000 1.0079 + 2043 SYS 681 TIP3 H2 A 0.417000 1.0079 + 2044 SYS 682 TIP3 O1 C -0.834000 15.9994 + 2045 SYS 682 TIP3 H1 A 0.417000 1.0079 + 2046 SYS 682 TIP3 H2 A 0.417000 1.0079 + 2047 SYS 683 TIP3 O1 C -0.834000 15.9994 + 2048 SYS 683 TIP3 H1 A 0.417000 1.0079 + 2049 SYS 683 TIP3 H2 A 0.417000 1.0079 + 2050 SYS 684 TIP3 O1 C -0.834000 15.9994 + 2051 SYS 684 TIP3 H1 A 0.417000 1.0079 + 2052 SYS 684 TIP3 H2 A 0.417000 1.0079 + 2053 SYS 685 TIP3 O1 C -0.834000 15.9994 + 2054 SYS 685 TIP3 H1 A 0.417000 1.0079 + 2055 SYS 685 TIP3 H2 A 0.417000 1.0079 + 2056 SYS 686 TIP3 O1 C -0.834000 15.9994 + 2057 SYS 686 TIP3 H1 A 0.417000 1.0079 + 2058 SYS 686 TIP3 H2 A 0.417000 1.0079 + 2059 SYS 687 TIP3 O1 C -0.834000 15.9994 + 2060 SYS 687 TIP3 H1 A 0.417000 1.0079 + 2061 SYS 687 TIP3 H2 A 0.417000 1.0079 + 2062 SYS 688 TIP3 O1 C -0.834000 15.9994 + 2063 SYS 688 TIP3 H1 A 0.417000 1.0079 + 2064 SYS 688 TIP3 H2 A 0.417000 1.0079 + 2065 SYS 689 TIP3 O1 C -0.834000 15.9994 + 2066 SYS 689 TIP3 H1 A 0.417000 1.0079 + 2067 SYS 689 TIP3 H2 A 0.417000 1.0079 + 2068 SYS 690 TIP3 O1 C -0.834000 15.9994 + 2069 SYS 690 TIP3 H1 A 0.417000 1.0079 + 2070 SYS 690 TIP3 H2 A 0.417000 1.0079 + 2071 SYS 691 TIP3 O1 C -0.834000 15.9994 + 2072 SYS 691 TIP3 H1 A 0.417000 1.0079 + 2073 SYS 691 TIP3 H2 A 0.417000 1.0079 + 2074 SYS 692 TIP3 O1 C -0.834000 15.9994 + 2075 SYS 692 TIP3 H1 A 0.417000 1.0079 + 2076 SYS 692 TIP3 H2 A 0.417000 1.0079 + 2077 SYS 693 TIP3 O1 C -0.834000 15.9994 + 2078 SYS 693 TIP3 H1 A 0.417000 1.0079 + 2079 SYS 693 TIP3 H2 A 0.417000 1.0079 + 2080 SYS 694 TIP3 O1 C -0.834000 15.9994 + 2081 SYS 694 TIP3 H1 A 0.417000 1.0079 + 2082 SYS 694 TIP3 H2 A 0.417000 1.0079 + 2083 SYS 695 TIP3 O1 C -0.834000 15.9994 + 2084 SYS 695 TIP3 H1 A 0.417000 1.0079 + 2085 SYS 695 TIP3 H2 A 0.417000 1.0079 + 2086 SYS 696 TIP3 O1 C -0.834000 15.9994 + 2087 SYS 696 TIP3 H1 A 0.417000 1.0079 + 2088 SYS 696 TIP3 H2 A 0.417000 1.0079 + 2089 SYS 697 TIP3 O1 C -0.834000 15.9994 + 2090 SYS 697 TIP3 H1 A 0.417000 1.0079 + 2091 SYS 697 TIP3 H2 A 0.417000 1.0079 + 2092 SYS 698 TIP3 O1 C -0.834000 15.9994 + 2093 SYS 698 TIP3 H1 A 0.417000 1.0079 + 2094 SYS 698 TIP3 H2 A 0.417000 1.0079 + 2095 SYS 699 TIP3 O1 C -0.834000 15.9994 + 2096 SYS 699 TIP3 H1 A 0.417000 1.0079 + 2097 SYS 699 TIP3 H2 A 0.417000 1.0079 + 2098 SYS 700 TIP3 O1 C -0.834000 15.9994 + 2099 SYS 700 TIP3 H1 A 0.417000 1.0079 + 2100 SYS 700 TIP3 H2 A 0.417000 1.0079 + 2101 SYS 701 TIP3 O1 C -0.834000 15.9994 + 2102 SYS 701 TIP3 H1 A 0.417000 1.0079 + 2103 SYS 701 TIP3 H2 A 0.417000 1.0079 + 2104 SYS 702 TIP3 O1 C -0.834000 15.9994 + 2105 SYS 702 TIP3 H1 A 0.417000 1.0079 + 2106 SYS 702 TIP3 H2 A 0.417000 1.0079 + 2107 SYS 703 TIP3 O1 C -0.834000 15.9994 + 2108 SYS 703 TIP3 H1 A 0.417000 1.0079 + 2109 SYS 703 TIP3 H2 A 0.417000 1.0079 + 2110 SYS 704 TIP3 O1 C -0.834000 15.9994 + 2111 SYS 704 TIP3 H1 A 0.417000 1.0079 + 2112 SYS 704 TIP3 H2 A 0.417000 1.0079 + 2113 SYS 705 TIP3 O1 C -0.834000 15.9994 + 2114 SYS 705 TIP3 H1 A 0.417000 1.0079 + 2115 SYS 705 TIP3 H2 A 0.417000 1.0079 + 2116 SYS 706 TIP3 O1 C -0.834000 15.9994 + 2117 SYS 706 TIP3 H1 A 0.417000 1.0079 + 2118 SYS 706 TIP3 H2 A 0.417000 1.0079 + 2119 SYS 707 TIP3 O1 C -0.834000 15.9994 + 2120 SYS 707 TIP3 H1 A 0.417000 1.0079 + 2121 SYS 707 TIP3 H2 A 0.417000 1.0079 + 2122 SYS 708 TIP3 O1 C -0.834000 15.9994 + 2123 SYS 708 TIP3 H1 A 0.417000 1.0079 + 2124 SYS 708 TIP3 H2 A 0.417000 1.0079 + 2125 SYS 709 TIP3 O1 C -0.834000 15.9994 + 2126 SYS 709 TIP3 H1 A 0.417000 1.0079 + 2127 SYS 709 TIP3 H2 A 0.417000 1.0079 + 2128 SYS 710 TIP3 O1 C -0.834000 15.9994 + 2129 SYS 710 TIP3 H1 A 0.417000 1.0079 + 2130 SYS 710 TIP3 H2 A 0.417000 1.0079 + 2131 SYS 711 TIP3 O1 C -0.834000 15.9994 + 2132 SYS 711 TIP3 H1 A 0.417000 1.0079 + 2133 SYS 711 TIP3 H2 A 0.417000 1.0079 + 2134 SYS 712 TIP3 O1 C -0.834000 15.9994 + 2135 SYS 712 TIP3 H1 A 0.417000 1.0079 + 2136 SYS 712 TIP3 H2 A 0.417000 1.0079 + 2137 SYS 713 TIP3 O1 C -0.834000 15.9994 + 2138 SYS 713 TIP3 H1 A 0.417000 1.0079 + 2139 SYS 713 TIP3 H2 A 0.417000 1.0079 + 2140 SYS 714 TIP3 O1 C -0.834000 15.9994 + 2141 SYS 714 TIP3 H1 A 0.417000 1.0079 + 2142 SYS 714 TIP3 H2 A 0.417000 1.0079 + 2143 SYS 715 TIP3 O1 C -0.834000 15.9994 + 2144 SYS 715 TIP3 H1 A 0.417000 1.0079 + 2145 SYS 715 TIP3 H2 A 0.417000 1.0079 + 2146 SYS 716 TIP3 O1 C -0.834000 15.9994 + 2147 SYS 716 TIP3 H1 A 0.417000 1.0079 + 2148 SYS 716 TIP3 H2 A 0.417000 1.0079 + 2149 SYS 717 TIP3 O1 C -0.834000 15.9994 + 2150 SYS 717 TIP3 H1 A 0.417000 1.0079 + 2151 SYS 717 TIP3 H2 A 0.417000 1.0079 + 2152 SYS 718 TIP3 O1 C -0.834000 15.9994 + 2153 SYS 718 TIP3 H1 A 0.417000 1.0079 + 2154 SYS 718 TIP3 H2 A 0.417000 1.0079 + 2155 SYS 719 TIP3 O1 C -0.834000 15.9994 + 2156 SYS 719 TIP3 H1 A 0.417000 1.0079 + 2157 SYS 719 TIP3 H2 A 0.417000 1.0079 + 2158 SYS 720 TIP3 O1 C -0.834000 15.9994 + 2159 SYS 720 TIP3 H1 A 0.417000 1.0079 + 2160 SYS 720 TIP3 H2 A 0.417000 1.0079 + 2161 SYS 721 TIP3 O1 C -0.834000 15.9994 + 2162 SYS 721 TIP3 H1 A 0.417000 1.0079 + 2163 SYS 721 TIP3 H2 A 0.417000 1.0079 + 2164 SYS 722 TIP3 O1 C -0.834000 15.9994 + 2165 SYS 722 TIP3 H1 A 0.417000 1.0079 + 2166 SYS 722 TIP3 H2 A 0.417000 1.0079 + 2167 SYS 723 TIP3 O1 C -0.834000 15.9994 + 2168 SYS 723 TIP3 H1 A 0.417000 1.0079 + 2169 SYS 723 TIP3 H2 A 0.417000 1.0079 + 2170 SYS 724 TIP3 O1 C -0.834000 15.9994 + 2171 SYS 724 TIP3 H1 A 0.417000 1.0079 + 2172 SYS 724 TIP3 H2 A 0.417000 1.0079 + 2173 SYS 725 TIP3 O1 C -0.834000 15.9994 + 2174 SYS 725 TIP3 H1 A 0.417000 1.0079 + 2175 SYS 725 TIP3 H2 A 0.417000 1.0079 + 2176 SYS 726 TIP3 O1 C -0.834000 15.9994 + 2177 SYS 726 TIP3 H1 A 0.417000 1.0079 + 2178 SYS 726 TIP3 H2 A 0.417000 1.0079 + 2179 SYS 727 TIP3 O1 C -0.834000 15.9994 + 2180 SYS 727 TIP3 H1 A 0.417000 1.0079 + 2181 SYS 727 TIP3 H2 A 0.417000 1.0079 + 2182 SYS 728 TIP3 O1 C -0.834000 15.9994 + 2183 SYS 728 TIP3 H1 A 0.417000 1.0079 + 2184 SYS 728 TIP3 H2 A 0.417000 1.0079 + 2185 SYS 729 TIP3 O1 C -0.834000 15.9994 + 2186 SYS 729 TIP3 H1 A 0.417000 1.0079 + 2187 SYS 729 TIP3 H2 A 0.417000 1.0079 + 2188 SYS 730 TIP3 O1 C -0.834000 15.9994 + 2189 SYS 730 TIP3 H1 A 0.417000 1.0079 + 2190 SYS 730 TIP3 H2 A 0.417000 1.0079 + 2191 SYS 731 TIP3 O1 C -0.834000 15.9994 + 2192 SYS 731 TIP3 H1 A 0.417000 1.0079 + 2193 SYS 731 TIP3 H2 A 0.417000 1.0079 + 2194 SYS 732 TIP3 O1 C -0.834000 15.9994 + 2195 SYS 732 TIP3 H1 A 0.417000 1.0079 + 2196 SYS 732 TIP3 H2 A 0.417000 1.0079 + 2197 SYS 733 TIP3 O1 C -0.834000 15.9994 + 2198 SYS 733 TIP3 H1 A 0.417000 1.0079 + 2199 SYS 733 TIP3 H2 A 0.417000 1.0079 + 2200 SYS 734 TIP3 O1 C -0.834000 15.9994 + 2201 SYS 734 TIP3 H1 A 0.417000 1.0079 + 2202 SYS 734 TIP3 H2 A 0.417000 1.0079 + 2203 SYS 735 TIP3 O1 C -0.834000 15.9994 + 2204 SYS 735 TIP3 H1 A 0.417000 1.0079 + 2205 SYS 735 TIP3 H2 A 0.417000 1.0079 + 2206 SYS 736 TIP3 O1 C -0.834000 15.9994 + 2207 SYS 736 TIP3 H1 A 0.417000 1.0079 + 2208 SYS 736 TIP3 H2 A 0.417000 1.0079 + 2209 SYS 737 TIP3 O1 C -0.834000 15.9994 + 2210 SYS 737 TIP3 H1 A 0.417000 1.0079 + 2211 SYS 737 TIP3 H2 A 0.417000 1.0079 + 2212 SYS 738 TIP3 O1 C -0.834000 15.9994 + 2213 SYS 738 TIP3 H1 A 0.417000 1.0079 + 2214 SYS 738 TIP3 H2 A 0.417000 1.0079 + 2215 SYS 739 TIP3 O1 C -0.834000 15.9994 + 2216 SYS 739 TIP3 H1 A 0.417000 1.0079 + 2217 SYS 739 TIP3 H2 A 0.417000 1.0079 + 2218 SYS 740 TIP3 O1 C -0.834000 15.9994 + 2219 SYS 740 TIP3 H1 A 0.417000 1.0079 + 2220 SYS 740 TIP3 H2 A 0.417000 1.0079 + 2221 SYS 741 TIP3 O1 C -0.834000 15.9994 + 2222 SYS 741 TIP3 H1 A 0.417000 1.0079 + 2223 SYS 741 TIP3 H2 A 0.417000 1.0079 + 2224 SYS 742 TIP3 O1 C -0.834000 15.9994 + 2225 SYS 742 TIP3 H1 A 0.417000 1.0079 + 2226 SYS 742 TIP3 H2 A 0.417000 1.0079 + 2227 SYS 743 TIP3 O1 C -0.834000 15.9994 + 2228 SYS 743 TIP3 H1 A 0.417000 1.0079 + 2229 SYS 743 TIP3 H2 A 0.417000 1.0079 + 2230 SYS 744 TIP3 O1 C -0.834000 15.9994 + 2231 SYS 744 TIP3 H1 A 0.417000 1.0079 + 2232 SYS 744 TIP3 H2 A 0.417000 1.0079 + 2233 SYS 745 TIP3 O1 C -0.834000 15.9994 + 2234 SYS 745 TIP3 H1 A 0.417000 1.0079 + 2235 SYS 745 TIP3 H2 A 0.417000 1.0079 + 2236 SYS 746 TIP3 O1 C -0.834000 15.9994 + 2237 SYS 746 TIP3 H1 A 0.417000 1.0079 + 2238 SYS 746 TIP3 H2 A 0.417000 1.0079 + 2239 SYS 747 TIP3 O1 C -0.834000 15.9994 + 2240 SYS 747 TIP3 H1 A 0.417000 1.0079 + 2241 SYS 747 TIP3 H2 A 0.417000 1.0079 + 2242 SYS 748 TIP3 O1 C -0.834000 15.9994 + 2243 SYS 748 TIP3 H1 A 0.417000 1.0079 + 2244 SYS 748 TIP3 H2 A 0.417000 1.0079 + 2245 SYS 749 TIP3 O1 C -0.834000 15.9994 + 2246 SYS 749 TIP3 H1 A 0.417000 1.0079 + 2247 SYS 749 TIP3 H2 A 0.417000 1.0079 + 2248 SYS 750 TIP3 O1 C -0.834000 15.9994 + 2249 SYS 750 TIP3 H1 A 0.417000 1.0079 + 2250 SYS 750 TIP3 H2 A 0.417000 1.0079 + 2251 SYS 751 TIP3 O1 C -0.834000 15.9994 + 2252 SYS 751 TIP3 H1 A 0.417000 1.0079 + 2253 SYS 751 TIP3 H2 A 0.417000 1.0079 + 2254 SYS 752 TIP3 O1 C -0.834000 15.9994 + 2255 SYS 752 TIP3 H1 A 0.417000 1.0079 + 2256 SYS 752 TIP3 H2 A 0.417000 1.0079 + 2257 SYS 753 TIP3 O1 C -0.834000 15.9994 + 2258 SYS 753 TIP3 H1 A 0.417000 1.0079 + 2259 SYS 753 TIP3 H2 A 0.417000 1.0079 + 2260 SYS 754 TIP3 O1 C -0.834000 15.9994 + 2261 SYS 754 TIP3 H1 A 0.417000 1.0079 + 2262 SYS 754 TIP3 H2 A 0.417000 1.0079 + 2263 SYS 755 TIP3 O1 C -0.834000 15.9994 + 2264 SYS 755 TIP3 H1 A 0.417000 1.0079 + 2265 SYS 755 TIP3 H2 A 0.417000 1.0079 + 2266 SYS 756 TIP3 O1 C -0.834000 15.9994 + 2267 SYS 756 TIP3 H1 A 0.417000 1.0079 + 2268 SYS 756 TIP3 H2 A 0.417000 1.0079 + 2269 SYS 757 TIP3 O1 C -0.834000 15.9994 + 2270 SYS 757 TIP3 H1 A 0.417000 1.0079 + 2271 SYS 757 TIP3 H2 A 0.417000 1.0079 + 2272 SYS 758 TIP3 O1 C -0.834000 15.9994 + 2273 SYS 758 TIP3 H1 A 0.417000 1.0079 + 2274 SYS 758 TIP3 H2 A 0.417000 1.0079 + 2275 SYS 759 TIP3 O1 C -0.834000 15.9994 + 2276 SYS 759 TIP3 H1 A 0.417000 1.0079 + 2277 SYS 759 TIP3 H2 A 0.417000 1.0079 + 2278 SYS 760 TIP3 O1 C -0.834000 15.9994 + 2279 SYS 760 TIP3 H1 A 0.417000 1.0079 + 2280 SYS 760 TIP3 H2 A 0.417000 1.0079 + 2281 SYS 761 TIP3 O1 C -0.834000 15.9994 + 2282 SYS 761 TIP3 H1 A 0.417000 1.0079 + 2283 SYS 761 TIP3 H2 A 0.417000 1.0079 + 2284 SYS 762 TIP3 O1 C -0.834000 15.9994 + 2285 SYS 762 TIP3 H1 A 0.417000 1.0079 + 2286 SYS 762 TIP3 H2 A 0.417000 1.0079 + 2287 SYS 763 TIP3 O1 C -0.834000 15.9994 + 2288 SYS 763 TIP3 H1 A 0.417000 1.0079 + 2289 SYS 763 TIP3 H2 A 0.417000 1.0079 + 2290 SYS 764 TIP3 O1 C -0.834000 15.9994 + 2291 SYS 764 TIP3 H1 A 0.417000 1.0079 + 2292 SYS 764 TIP3 H2 A 0.417000 1.0079 + 2293 SYS 765 TIP3 O1 C -0.834000 15.9994 + 2294 SYS 765 TIP3 H1 A 0.417000 1.0079 + 2295 SYS 765 TIP3 H2 A 0.417000 1.0079 + 2296 SYS 766 TIP3 O1 C -0.834000 15.9994 + 2297 SYS 766 TIP3 H1 A 0.417000 1.0079 + 2298 SYS 766 TIP3 H2 A 0.417000 1.0079 + 2299 SYS 767 TIP3 O1 C -0.834000 15.9994 + 2300 SYS 767 TIP3 H1 A 0.417000 1.0079 + 2301 SYS 767 TIP3 H2 A 0.417000 1.0079 + 2302 SYS 768 TIP3 O1 C -0.834000 15.9994 + 2303 SYS 768 TIP3 H1 A 0.417000 1.0079 + 2304 SYS 768 TIP3 H2 A 0.417000 1.0079 + 2305 SYS 769 TIP3 O1 C -0.834000 15.9994 + 2306 SYS 769 TIP3 H1 A 0.417000 1.0079 + 2307 SYS 769 TIP3 H2 A 0.417000 1.0079 + 2308 SYS 770 TIP3 O1 C -0.834000 15.9994 + 2309 SYS 770 TIP3 H1 A 0.417000 1.0079 + 2310 SYS 770 TIP3 H2 A 0.417000 1.0079 + 2311 SYS 771 TIP3 O1 C -0.834000 15.9994 + 2312 SYS 771 TIP3 H1 A 0.417000 1.0079 + 2313 SYS 771 TIP3 H2 A 0.417000 1.0079 + 2314 SYS 772 TIP3 O1 C -0.834000 15.9994 + 2315 SYS 772 TIP3 H1 A 0.417000 1.0079 + 2316 SYS 772 TIP3 H2 A 0.417000 1.0079 + 2317 SYS 773 TIP3 O1 C -0.834000 15.9994 + 2318 SYS 773 TIP3 H1 A 0.417000 1.0079 + 2319 SYS 773 TIP3 H2 A 0.417000 1.0079 + 2320 SYS 774 TIP3 O1 C -0.834000 15.9994 + 2321 SYS 774 TIP3 H1 A 0.417000 1.0079 + 2322 SYS 774 TIP3 H2 A 0.417000 1.0079 + 2323 SYS 775 TIP3 O1 C -0.834000 15.9994 + 2324 SYS 775 TIP3 H1 A 0.417000 1.0079 + 2325 SYS 775 TIP3 H2 A 0.417000 1.0079 + 2326 SYS 776 TIP3 O1 C -0.834000 15.9994 + 2327 SYS 776 TIP3 H1 A 0.417000 1.0079 + 2328 SYS 776 TIP3 H2 A 0.417000 1.0079 + 2329 SYS 777 TIP3 O1 C -0.834000 15.9994 + 2330 SYS 777 TIP3 H1 A 0.417000 1.0079 + 2331 SYS 777 TIP3 H2 A 0.417000 1.0079 + 2332 SYS 778 TIP3 O1 C -0.834000 15.9994 + 2333 SYS 778 TIP3 H1 A 0.417000 1.0079 + 2334 SYS 778 TIP3 H2 A 0.417000 1.0079 + 2335 SYS 779 TIP3 O1 C -0.834000 15.9994 + 2336 SYS 779 TIP3 H1 A 0.417000 1.0079 + 2337 SYS 779 TIP3 H2 A 0.417000 1.0079 + 2338 SYS 780 TIP3 O1 C -0.834000 15.9994 + 2339 SYS 780 TIP3 H1 A 0.417000 1.0079 + 2340 SYS 780 TIP3 H2 A 0.417000 1.0079 + 2341 SYS 781 TIP3 O1 C -0.834000 15.9994 + 2342 SYS 781 TIP3 H1 A 0.417000 1.0079 + 2343 SYS 781 TIP3 H2 A 0.417000 1.0079 + 2344 SYS 782 TIP3 O1 C -0.834000 15.9994 + 2345 SYS 782 TIP3 H1 A 0.417000 1.0079 + 2346 SYS 782 TIP3 H2 A 0.417000 1.0079 + 2347 SYS 783 TIP3 O1 C -0.834000 15.9994 + 2348 SYS 783 TIP3 H1 A 0.417000 1.0079 + 2349 SYS 783 TIP3 H2 A 0.417000 1.0079 + 2350 SYS 784 TIP3 O1 C -0.834000 15.9994 + 2351 SYS 784 TIP3 H1 A 0.417000 1.0079 + 2352 SYS 784 TIP3 H2 A 0.417000 1.0079 + 2353 SYS 785 TIP3 O1 C -0.834000 15.9994 + 2354 SYS 785 TIP3 H1 A 0.417000 1.0079 + 2355 SYS 785 TIP3 H2 A 0.417000 1.0079 + 2356 SYS 786 TIP3 O1 C -0.834000 15.9994 + 2357 SYS 786 TIP3 H1 A 0.417000 1.0079 + 2358 SYS 786 TIP3 H2 A 0.417000 1.0079 + 2359 SYS 787 TIP3 O1 C -0.834000 15.9994 + 2360 SYS 787 TIP3 H1 A 0.417000 1.0079 + 2361 SYS 787 TIP3 H2 A 0.417000 1.0079 + 2362 SYS 788 TIP3 O1 C -0.834000 15.9994 + 2363 SYS 788 TIP3 H1 A 0.417000 1.0079 + 2364 SYS 788 TIP3 H2 A 0.417000 1.0079 + 2365 SYS 789 TIP3 O1 C -0.834000 15.9994 + 2366 SYS 789 TIP3 H1 A 0.417000 1.0079 + 2367 SYS 789 TIP3 H2 A 0.417000 1.0079 + 2368 SYS 790 TIP3 O1 C -0.834000 15.9994 + 2369 SYS 790 TIP3 H1 A 0.417000 1.0079 + 2370 SYS 790 TIP3 H2 A 0.417000 1.0079 + 2371 SYS 791 TIP3 O1 C -0.834000 15.9994 + 2372 SYS 791 TIP3 H1 A 0.417000 1.0079 + 2373 SYS 791 TIP3 H2 A 0.417000 1.0079 + 2374 SYS 792 TIP3 O1 C -0.834000 15.9994 + 2375 SYS 792 TIP3 H1 A 0.417000 1.0079 + 2376 SYS 792 TIP3 H2 A 0.417000 1.0079 + 2377 SYS 793 TIP3 O1 C -0.834000 15.9994 + 2378 SYS 793 TIP3 H1 A 0.417000 1.0079 + 2379 SYS 793 TIP3 H2 A 0.417000 1.0079 + 2380 SYS 794 TIP3 O1 C -0.834000 15.9994 + 2381 SYS 794 TIP3 H1 A 0.417000 1.0079 + 2382 SYS 794 TIP3 H2 A 0.417000 1.0079 + 2383 SYS 795 TIP3 O1 C -0.834000 15.9994 + 2384 SYS 795 TIP3 H1 A 0.417000 1.0079 + 2385 SYS 795 TIP3 H2 A 0.417000 1.0079 + 2386 SYS 796 TIP3 O1 C -0.834000 15.9994 + 2387 SYS 796 TIP3 H1 A 0.417000 1.0079 + 2388 SYS 796 TIP3 H2 A 0.417000 1.0079 + 2389 SYS 797 TIP3 O1 C -0.834000 15.9994 + 2390 SYS 797 TIP3 H1 A 0.417000 1.0079 + 2391 SYS 797 TIP3 H2 A 0.417000 1.0079 + 2392 SYS 798 TIP3 O1 C -0.834000 15.9994 + 2393 SYS 798 TIP3 H1 A 0.417000 1.0079 + 2394 SYS 798 TIP3 H2 A 0.417000 1.0079 + 2395 SYS 799 TIP3 O1 C -0.834000 15.9994 + 2396 SYS 799 TIP3 H1 A 0.417000 1.0079 + 2397 SYS 799 TIP3 H2 A 0.417000 1.0079 + 2398 SYS 800 TIP3 O1 C -0.834000 15.9994 + 2399 SYS 800 TIP3 H1 A 0.417000 1.0079 + 2400 SYS 800 TIP3 H2 A 0.417000 1.0079 + 2401 SYS 801 TIP3 O1 C -0.834000 15.9994 + 2402 SYS 801 TIP3 H1 A 0.417000 1.0079 + 2403 SYS 801 TIP3 H2 A 0.417000 1.0079 + 2404 SYS 802 TIP3 O1 C -0.834000 15.9994 + 2405 SYS 802 TIP3 H1 A 0.417000 1.0079 + 2406 SYS 802 TIP3 H2 A 0.417000 1.0079 + 2407 SYS 803 TIP3 O1 C -0.834000 15.9994 + 2408 SYS 803 TIP3 H1 A 0.417000 1.0079 + 2409 SYS 803 TIP3 H2 A 0.417000 1.0079 + 2410 SYS 804 TIP3 O1 C -0.834000 15.9994 + 2411 SYS 804 TIP3 H1 A 0.417000 1.0079 + 2412 SYS 804 TIP3 H2 A 0.417000 1.0079 + 2413 SYS 805 TIP3 O1 C -0.834000 15.9994 + 2414 SYS 805 TIP3 H1 A 0.417000 1.0079 + 2415 SYS 805 TIP3 H2 A 0.417000 1.0079 + 2416 SYS 806 TIP3 O1 C -0.834000 15.9994 + 2417 SYS 806 TIP3 H1 A 0.417000 1.0079 + 2418 SYS 806 TIP3 H2 A 0.417000 1.0079 + 2419 SYS 807 TIP3 O1 C -0.834000 15.9994 + 2420 SYS 807 TIP3 H1 A 0.417000 1.0079 + 2421 SYS 807 TIP3 H2 A 0.417000 1.0079 + 2422 SYS 808 TIP3 O1 C -0.834000 15.9994 + 2423 SYS 808 TIP3 H1 A 0.417000 1.0079 + 2424 SYS 808 TIP3 H2 A 0.417000 1.0079 + 2425 SYS 809 TIP3 O1 C -0.834000 15.9994 + 2426 SYS 809 TIP3 H1 A 0.417000 1.0079 + 2427 SYS 809 TIP3 H2 A 0.417000 1.0079 + 2428 SYS 810 TIP3 O1 C -0.834000 15.9994 + 2429 SYS 810 TIP3 H1 A 0.417000 1.0079 + 2430 SYS 810 TIP3 H2 A 0.417000 1.0079 + 2431 SYS 811 TIP3 O1 C -0.834000 15.9994 + 2432 SYS 811 TIP3 H1 A 0.417000 1.0079 + 2433 SYS 811 TIP3 H2 A 0.417000 1.0079 + 2434 SYS 812 TIP3 O1 C -0.834000 15.9994 + 2435 SYS 812 TIP3 H1 A 0.417000 1.0079 + 2436 SYS 812 TIP3 H2 A 0.417000 1.0079 + 2437 SYS 813 TIP3 O1 C -0.834000 15.9994 + 2438 SYS 813 TIP3 H1 A 0.417000 1.0079 + 2439 SYS 813 TIP3 H2 A 0.417000 1.0079 + 2440 SYS 814 TIP3 O1 C -0.834000 15.9994 + 2441 SYS 814 TIP3 H1 A 0.417000 1.0079 + 2442 SYS 814 TIP3 H2 A 0.417000 1.0079 + 2443 SYS 815 TIP3 O1 C -0.834000 15.9994 + 2444 SYS 815 TIP3 H1 A 0.417000 1.0079 + 2445 SYS 815 TIP3 H2 A 0.417000 1.0079 + 2446 SYS 816 TIP3 O1 C -0.834000 15.9994 + 2447 SYS 816 TIP3 H1 A 0.417000 1.0079 + 2448 SYS 816 TIP3 H2 A 0.417000 1.0079 + 2449 SYS 817 TIP3 O1 C -0.834000 15.9994 + 2450 SYS 817 TIP3 H1 A 0.417000 1.0079 + 2451 SYS 817 TIP3 H2 A 0.417000 1.0079 + 2452 SYS 818 TIP3 O1 C -0.834000 15.9994 + 2453 SYS 818 TIP3 H1 A 0.417000 1.0079 + 2454 SYS 818 TIP3 H2 A 0.417000 1.0079 + 2455 SYS 819 TIP3 O1 C -0.834000 15.9994 + 2456 SYS 819 TIP3 H1 A 0.417000 1.0079 + 2457 SYS 819 TIP3 H2 A 0.417000 1.0079 + 2458 SYS 820 TIP3 O1 C -0.834000 15.9994 + 2459 SYS 820 TIP3 H1 A 0.417000 1.0079 + 2460 SYS 820 TIP3 H2 A 0.417000 1.0079 + 2461 SYS 821 TIP3 O1 C -0.834000 15.9994 + 2462 SYS 821 TIP3 H1 A 0.417000 1.0079 + 2463 SYS 821 TIP3 H2 A 0.417000 1.0079 + 2464 SYS 822 TIP3 O1 C -0.834000 15.9994 + 2465 SYS 822 TIP3 H1 A 0.417000 1.0079 + 2466 SYS 822 TIP3 H2 A 0.417000 1.0079 + 2467 SYS 823 TIP3 O1 C -0.834000 15.9994 + 2468 SYS 823 TIP3 H1 A 0.417000 1.0079 + 2469 SYS 823 TIP3 H2 A 0.417000 1.0079 + 2470 SYS 824 TIP3 O1 C -0.834000 15.9994 + 2471 SYS 824 TIP3 H1 A 0.417000 1.0079 + 2472 SYS 824 TIP3 H2 A 0.417000 1.0079 + 2473 SYS 825 TIP3 O1 C -0.834000 15.9994 + 2474 SYS 825 TIP3 H1 A 0.417000 1.0079 + 2475 SYS 825 TIP3 H2 A 0.417000 1.0079 + 2476 SYS 826 TIP3 O1 C -0.834000 15.9994 + 2477 SYS 826 TIP3 H1 A 0.417000 1.0079 + 2478 SYS 826 TIP3 H2 A 0.417000 1.0079 + 2479 SYS 827 TIP3 O1 C -0.834000 15.9994 + 2480 SYS 827 TIP3 H1 A 0.417000 1.0079 + 2481 SYS 827 TIP3 H2 A 0.417000 1.0079 + 2482 SYS 828 TIP3 O1 C -0.834000 15.9994 + 2483 SYS 828 TIP3 H1 A 0.417000 1.0079 + 2484 SYS 828 TIP3 H2 A 0.417000 1.0079 + 2485 SYS 829 TIP3 O1 C -0.834000 15.9994 + 2486 SYS 829 TIP3 H1 A 0.417000 1.0079 + 2487 SYS 829 TIP3 H2 A 0.417000 1.0079 + 2488 SYS 830 TIP3 O1 C -0.834000 15.9994 + 2489 SYS 830 TIP3 H1 A 0.417000 1.0079 + 2490 SYS 830 TIP3 H2 A 0.417000 1.0079 + 2491 SYS 831 TIP3 O1 C -0.834000 15.9994 + 2492 SYS 831 TIP3 H1 A 0.417000 1.0079 + 2493 SYS 831 TIP3 H2 A 0.417000 1.0079 + 2494 SYS 832 TIP3 O1 C -0.834000 15.9994 + 2495 SYS 832 TIP3 H1 A 0.417000 1.0079 + 2496 SYS 832 TIP3 H2 A 0.417000 1.0079 + 2497 SYS 833 TIP3 O1 C -0.834000 15.9994 + 2498 SYS 833 TIP3 H1 A 0.417000 1.0079 + 2499 SYS 833 TIP3 H2 A 0.417000 1.0079 + 2500 SYS 834 TIP3 O1 C -0.834000 15.9994 + 2501 SYS 834 TIP3 H1 A 0.417000 1.0079 + 2502 SYS 834 TIP3 H2 A 0.417000 1.0079 + 2503 SYS 835 TIP3 O1 C -0.834000 15.9994 + 2504 SYS 835 TIP3 H1 A 0.417000 1.0079 + 2505 SYS 835 TIP3 H2 A 0.417000 1.0079 + 2506 SYS 836 TIP3 O1 C -0.834000 15.9994 + 2507 SYS 836 TIP3 H1 A 0.417000 1.0079 + 2508 SYS 836 TIP3 H2 A 0.417000 1.0079 + 2509 SYS 837 TIP3 O1 C -0.834000 15.9994 + 2510 SYS 837 TIP3 H1 A 0.417000 1.0079 + 2511 SYS 837 TIP3 H2 A 0.417000 1.0079 + 2512 SYS 838 TIP3 O1 C -0.834000 15.9994 + 2513 SYS 838 TIP3 H1 A 0.417000 1.0079 + 2514 SYS 838 TIP3 H2 A 0.417000 1.0079 + 2515 SYS 839 TIP3 O1 C -0.834000 15.9994 + 2516 SYS 839 TIP3 H1 A 0.417000 1.0079 + 2517 SYS 839 TIP3 H2 A 0.417000 1.0079 + 2518 SYS 840 TIP3 O1 C -0.834000 15.9994 + 2519 SYS 840 TIP3 H1 A 0.417000 1.0079 + 2520 SYS 840 TIP3 H2 A 0.417000 1.0079 + 2521 SYS 841 TIP3 O1 C -0.834000 15.9994 + 2522 SYS 841 TIP3 H1 A 0.417000 1.0079 + 2523 SYS 841 TIP3 H2 A 0.417000 1.0079 + 2524 SYS 842 TIP3 O1 C -0.834000 15.9994 + 2525 SYS 842 TIP3 H1 A 0.417000 1.0079 + 2526 SYS 842 TIP3 H2 A 0.417000 1.0079 + 2527 SYS 843 TIP3 O1 C -0.834000 15.9994 + 2528 SYS 843 TIP3 H1 A 0.417000 1.0079 + 2529 SYS 843 TIP3 H2 A 0.417000 1.0079 + 2530 SYS 844 TIP3 O1 C -0.834000 15.9994 + 2531 SYS 844 TIP3 H1 A 0.417000 1.0079 + 2532 SYS 844 TIP3 H2 A 0.417000 1.0079 + 2533 SYS 845 TIP3 O1 C -0.834000 15.9994 + 2534 SYS 845 TIP3 H1 A 0.417000 1.0079 + 2535 SYS 845 TIP3 H2 A 0.417000 1.0079 + 2536 SYS 846 TIP3 O1 C -0.834000 15.9994 + 2537 SYS 846 TIP3 H1 A 0.417000 1.0079 + 2538 SYS 846 TIP3 H2 A 0.417000 1.0079 + 2539 SYS 847 TIP3 O1 C -0.834000 15.9994 + 2540 SYS 847 TIP3 H1 A 0.417000 1.0079 + 2541 SYS 847 TIP3 H2 A 0.417000 1.0079 + 2542 SYS 848 TIP3 O1 C -0.834000 15.9994 + 2543 SYS 848 TIP3 H1 A 0.417000 1.0079 + 2544 SYS 848 TIP3 H2 A 0.417000 1.0079 + 2545 SYS 849 TIP3 O1 C -0.834000 15.9994 + 2546 SYS 849 TIP3 H1 A 0.417000 1.0079 + 2547 SYS 849 TIP3 H2 A 0.417000 1.0079 + 2548 SYS 850 TIP3 O1 C -0.834000 15.9994 + 2549 SYS 850 TIP3 H1 A 0.417000 1.0079 + 2550 SYS 850 TIP3 H2 A 0.417000 1.0079 + 2551 SYS 851 TIP3 O1 C -0.834000 15.9994 + 2552 SYS 851 TIP3 H1 A 0.417000 1.0079 + 2553 SYS 851 TIP3 H2 A 0.417000 1.0079 + 2554 SYS 852 TIP3 O1 C -0.834000 15.9994 + 2555 SYS 852 TIP3 H1 A 0.417000 1.0079 + 2556 SYS 852 TIP3 H2 A 0.417000 1.0079 + 2557 SYS 853 TIP3 O1 C -0.834000 15.9994 + 2558 SYS 853 TIP3 H1 A 0.417000 1.0079 + 2559 SYS 853 TIP3 H2 A 0.417000 1.0079 + 2560 SYS 854 TIP3 O1 C -0.834000 15.9994 + 2561 SYS 854 TIP3 H1 A 0.417000 1.0079 + 2562 SYS 854 TIP3 H2 A 0.417000 1.0079 + 2563 SYS 855 TIP3 O1 C -0.834000 15.9994 + 2564 SYS 855 TIP3 H1 A 0.417000 1.0079 + 2565 SYS 855 TIP3 H2 A 0.417000 1.0079 + 2566 SYS 856 TIP3 O1 C -0.834000 15.9994 + 2567 SYS 856 TIP3 H1 A 0.417000 1.0079 + 2568 SYS 856 TIP3 H2 A 0.417000 1.0079 + 2569 SYS 857 TIP3 O1 C -0.834000 15.9994 + 2570 SYS 857 TIP3 H1 A 0.417000 1.0079 + 2571 SYS 857 TIP3 H2 A 0.417000 1.0079 + 2572 SYS 858 TIP3 O1 C -0.834000 15.9994 + 2573 SYS 858 TIP3 H1 A 0.417000 1.0079 + 2574 SYS 858 TIP3 H2 A 0.417000 1.0079 + 2575 SYS 859 TIP3 O1 C -0.834000 15.9994 + 2576 SYS 859 TIP3 H1 A 0.417000 1.0079 + 2577 SYS 859 TIP3 H2 A 0.417000 1.0079 + 2578 SYS 860 TIP3 O1 C -0.834000 15.9994 + 2579 SYS 860 TIP3 H1 A 0.417000 1.0079 + 2580 SYS 860 TIP3 H2 A 0.417000 1.0079 + 2581 SYS 861 TIP3 O1 C -0.834000 15.9994 + 2582 SYS 861 TIP3 H1 A 0.417000 1.0079 + 2583 SYS 861 TIP3 H2 A 0.417000 1.0079 + 2584 SYS 862 TIP3 O1 C -0.834000 15.9994 + 2585 SYS 862 TIP3 H1 A 0.417000 1.0079 + 2586 SYS 862 TIP3 H2 A 0.417000 1.0079 + 2587 SYS 863 TIP3 O1 C -0.834000 15.9994 + 2588 SYS 863 TIP3 H1 A 0.417000 1.0079 + 2589 SYS 863 TIP3 H2 A 0.417000 1.0079 + 2590 SYS 864 TIP3 O1 C -0.834000 15.9994 + 2591 SYS 864 TIP3 H1 A 0.417000 1.0079 + 2592 SYS 864 TIP3 H2 A 0.417000 1.0079 + 2593 SYS 865 TIP3 O1 C -0.834000 15.9994 + 2594 SYS 865 TIP3 H1 A 0.417000 1.0079 + 2595 SYS 865 TIP3 H2 A 0.417000 1.0079 + 2596 SYS 866 TIP3 O1 C -0.834000 15.9994 + 2597 SYS 866 TIP3 H1 A 0.417000 1.0079 + 2598 SYS 866 TIP3 H2 A 0.417000 1.0079 + 2599 SYS 867 TIP3 O1 C -0.834000 15.9994 + 2600 SYS 867 TIP3 H1 A 0.417000 1.0079 + 2601 SYS 867 TIP3 H2 A 0.417000 1.0079 + 2602 SYS 868 TIP3 O1 C -0.834000 15.9994 + 2603 SYS 868 TIP3 H1 A 0.417000 1.0079 + 2604 SYS 868 TIP3 H2 A 0.417000 1.0079 + 2605 SYS 869 TIP3 O1 C -0.834000 15.9994 + 2606 SYS 869 TIP3 H1 A 0.417000 1.0079 + 2607 SYS 869 TIP3 H2 A 0.417000 1.0079 + 2608 SYS 870 TIP3 O1 C -0.834000 15.9994 + 2609 SYS 870 TIP3 H1 A 0.417000 1.0079 + 2610 SYS 870 TIP3 H2 A 0.417000 1.0079 + 2611 SYS 871 TIP3 O1 C -0.834000 15.9994 + 2612 SYS 871 TIP3 H1 A 0.417000 1.0079 + 2613 SYS 871 TIP3 H2 A 0.417000 1.0079 + 2614 SYS 872 TIP3 O1 C -0.834000 15.9994 + 2615 SYS 872 TIP3 H1 A 0.417000 1.0079 + 2616 SYS 872 TIP3 H2 A 0.417000 1.0079 + 2617 SYS 873 TIP3 O1 C -0.834000 15.9994 + 2618 SYS 873 TIP3 H1 A 0.417000 1.0079 + 2619 SYS 873 TIP3 H2 A 0.417000 1.0079 + 2620 SYS 874 TIP3 O1 C -0.834000 15.9994 + 2621 SYS 874 TIP3 H1 A 0.417000 1.0079 + 2622 SYS 874 TIP3 H2 A 0.417000 1.0079 + 2623 SYS 875 TIP3 O1 C -0.834000 15.9994 + 2624 SYS 875 TIP3 H1 A 0.417000 1.0079 + 2625 SYS 875 TIP3 H2 A 0.417000 1.0079 + 2626 SYS 876 TIP3 O1 C -0.834000 15.9994 + 2627 SYS 876 TIP3 H1 A 0.417000 1.0079 + 2628 SYS 876 TIP3 H2 A 0.417000 1.0079 + 2629 SYS 877 TIP3 O1 C -0.834000 15.9994 + 2630 SYS 877 TIP3 H1 A 0.417000 1.0079 + 2631 SYS 877 TIP3 H2 A 0.417000 1.0079 + 2632 SYS 878 TIP3 O1 C -0.834000 15.9994 + 2633 SYS 878 TIP3 H1 A 0.417000 1.0079 + 2634 SYS 878 TIP3 H2 A 0.417000 1.0079 + 2635 SYS 879 TIP3 O1 C -0.834000 15.9994 + 2636 SYS 879 TIP3 H1 A 0.417000 1.0079 + 2637 SYS 879 TIP3 H2 A 0.417000 1.0079 + 2638 SYS 880 TIP3 O1 C -0.834000 15.9994 + 2639 SYS 880 TIP3 H1 A 0.417000 1.0079 + 2640 SYS 880 TIP3 H2 A 0.417000 1.0079 + 2641 SYS 881 TIP3 O1 C -0.834000 15.9994 + 2642 SYS 881 TIP3 H1 A 0.417000 1.0079 + 2643 SYS 881 TIP3 H2 A 0.417000 1.0079 + 2644 SYS 882 TIP3 O1 C -0.834000 15.9994 + 2645 SYS 882 TIP3 H1 A 0.417000 1.0079 + 2646 SYS 882 TIP3 H2 A 0.417000 1.0079 + 2647 SYS 883 TIP3 O1 C -0.834000 15.9994 + 2648 SYS 883 TIP3 H1 A 0.417000 1.0079 + 2649 SYS 883 TIP3 H2 A 0.417000 1.0079 + 2650 SYS 884 TIP3 O1 C -0.834000 15.9994 + 2651 SYS 884 TIP3 H1 A 0.417000 1.0079 + 2652 SYS 884 TIP3 H2 A 0.417000 1.0079 + 2653 SYS 885 TIP3 O1 C -0.834000 15.9994 + 2654 SYS 885 TIP3 H1 A 0.417000 1.0079 + 2655 SYS 885 TIP3 H2 A 0.417000 1.0079 + 2656 SYS 886 TIP3 O1 C -0.834000 15.9994 + 2657 SYS 886 TIP3 H1 A 0.417000 1.0079 + 2658 SYS 886 TIP3 H2 A 0.417000 1.0079 + 2659 SYS 887 TIP3 O1 C -0.834000 15.9994 + 2660 SYS 887 TIP3 H1 A 0.417000 1.0079 + 2661 SYS 887 TIP3 H2 A 0.417000 1.0079 + 2662 SYS 888 TIP3 O1 C -0.834000 15.9994 + 2663 SYS 888 TIP3 H1 A 0.417000 1.0079 + 2664 SYS 888 TIP3 H2 A 0.417000 1.0079 + 2665 SYS 889 TIP3 O1 C -0.834000 15.9994 + 2666 SYS 889 TIP3 H1 A 0.417000 1.0079 + 2667 SYS 889 TIP3 H2 A 0.417000 1.0079 + 2668 SYS 890 TIP3 O1 C -0.834000 15.9994 + 2669 SYS 890 TIP3 H1 A 0.417000 1.0079 + 2670 SYS 890 TIP3 H2 A 0.417000 1.0079 + 2671 SYS 891 TIP3 O1 C -0.834000 15.9994 + 2672 SYS 891 TIP3 H1 A 0.417000 1.0079 + 2673 SYS 891 TIP3 H2 A 0.417000 1.0079 + 2674 SYS 892 TIP3 O1 C -0.834000 15.9994 + 2675 SYS 892 TIP3 H1 A 0.417000 1.0079 + 2676 SYS 892 TIP3 H2 A 0.417000 1.0079 + 2677 SYS 893 TIP3 O1 C -0.834000 15.9994 + 2678 SYS 893 TIP3 H1 A 0.417000 1.0079 + 2679 SYS 893 TIP3 H2 A 0.417000 1.0079 + 2680 SYS 894 TIP3 O1 C -0.834000 15.9994 + 2681 SYS 894 TIP3 H1 A 0.417000 1.0079 + 2682 SYS 894 TIP3 H2 A 0.417000 1.0079 + 2683 SYS 895 TIP3 O1 C -0.834000 15.9994 + 2684 SYS 895 TIP3 H1 A 0.417000 1.0079 + 2685 SYS 895 TIP3 H2 A 0.417000 1.0079 + 2686 SYS 896 TIP3 O1 C -0.834000 15.9994 + 2687 SYS 896 TIP3 H1 A 0.417000 1.0079 + 2688 SYS 896 TIP3 H2 A 0.417000 1.0079 + 2689 SYS 897 TIP3 O1 C -0.834000 15.9994 + 2690 SYS 897 TIP3 H1 A 0.417000 1.0079 + 2691 SYS 897 TIP3 H2 A 0.417000 1.0079 + 2692 SYS 898 TIP3 O1 C -0.834000 15.9994 + 2693 SYS 898 TIP3 H1 A 0.417000 1.0079 + 2694 SYS 898 TIP3 H2 A 0.417000 1.0079 + 2695 SYS 899 TIP3 O1 C -0.834000 15.9994 + 2696 SYS 899 TIP3 H1 A 0.417000 1.0079 + 2697 SYS 899 TIP3 H2 A 0.417000 1.0079 + 2698 SYS 900 TIP3 O1 C -0.834000 15.9994 + 2699 SYS 900 TIP3 H1 A 0.417000 1.0079 + 2700 SYS 900 TIP3 H2 A 0.417000 1.0079 + 2701 SYS 901 TIP3 O1 C -0.834000 15.9994 + 2702 SYS 901 TIP3 H1 A 0.417000 1.0079 + 2703 SYS 901 TIP3 H2 A 0.417000 1.0079 + 2704 SYS 902 TIP3 O1 C -0.834000 15.9994 + 2705 SYS 902 TIP3 H1 A 0.417000 1.0079 + 2706 SYS 902 TIP3 H2 A 0.417000 1.0079 + 2707 SYS 903 TIP3 O1 C -0.834000 15.9994 + 2708 SYS 903 TIP3 H1 A 0.417000 1.0079 + 2709 SYS 903 TIP3 H2 A 0.417000 1.0079 + 2710 SYS 904 TIP3 O1 C -0.834000 15.9994 + 2711 SYS 904 TIP3 H1 A 0.417000 1.0079 + 2712 SYS 904 TIP3 H2 A 0.417000 1.0079 + 2713 SYS 905 TIP3 O1 C -0.834000 15.9994 + 2714 SYS 905 TIP3 H1 A 0.417000 1.0079 + 2715 SYS 905 TIP3 H2 A 0.417000 1.0079 + 2716 SYS 906 TIP3 O1 C -0.834000 15.9994 + 2717 SYS 906 TIP3 H1 A 0.417000 1.0079 + 2718 SYS 906 TIP3 H2 A 0.417000 1.0079 + 2719 SYS 907 TIP3 O1 C -0.834000 15.9994 + 2720 SYS 907 TIP3 H1 A 0.417000 1.0079 + 2721 SYS 907 TIP3 H2 A 0.417000 1.0079 + 2722 SYS 908 TIP3 O1 C -0.834000 15.9994 + 2723 SYS 908 TIP3 H1 A 0.417000 1.0079 + 2724 SYS 908 TIP3 H2 A 0.417000 1.0079 + 2725 SYS 909 TIP3 O1 C -0.834000 15.9994 + 2726 SYS 909 TIP3 H1 A 0.417000 1.0079 + 2727 SYS 909 TIP3 H2 A 0.417000 1.0079 + 2728 SYS 910 TIP3 O1 C -0.834000 15.9994 + 2729 SYS 910 TIP3 H1 A 0.417000 1.0079 + 2730 SYS 910 TIP3 H2 A 0.417000 1.0079 + 2731 SYS 911 TIP3 O1 C -0.834000 15.9994 + 2732 SYS 911 TIP3 H1 A 0.417000 1.0079 + 2733 SYS 911 TIP3 H2 A 0.417000 1.0079 + 2734 SYS 912 TIP3 O1 C -0.834000 15.9994 + 2735 SYS 912 TIP3 H1 A 0.417000 1.0079 + 2736 SYS 912 TIP3 H2 A 0.417000 1.0079 + 2737 SYS 913 TIP3 O1 C -0.834000 15.9994 + 2738 SYS 913 TIP3 H1 A 0.417000 1.0079 + 2739 SYS 913 TIP3 H2 A 0.417000 1.0079 + 2740 SYS 914 TIP3 O1 C -0.834000 15.9994 + 2741 SYS 914 TIP3 H1 A 0.417000 1.0079 + 2742 SYS 914 TIP3 H2 A 0.417000 1.0079 + 2743 SYS 915 TIP3 O1 C -0.834000 15.9994 + 2744 SYS 915 TIP3 H1 A 0.417000 1.0079 + 2745 SYS 915 TIP3 H2 A 0.417000 1.0079 + 2746 SYS 916 TIP3 O1 C -0.834000 15.9994 + 2747 SYS 916 TIP3 H1 A 0.417000 1.0079 + 2748 SYS 916 TIP3 H2 A 0.417000 1.0079 + 2749 SYS 917 TIP3 O1 C -0.834000 15.9994 + 2750 SYS 917 TIP3 H1 A 0.417000 1.0079 + 2751 SYS 917 TIP3 H2 A 0.417000 1.0079 + 2752 SYS 918 TIP3 O1 C -0.834000 15.9994 + 2753 SYS 918 TIP3 H1 A 0.417000 1.0079 + 2754 SYS 918 TIP3 H2 A 0.417000 1.0079 + 2755 SYS 919 TIP3 O1 C -0.834000 15.9994 + 2756 SYS 919 TIP3 H1 A 0.417000 1.0079 + 2757 SYS 919 TIP3 H2 A 0.417000 1.0079 + 2758 SYS 920 TIP3 O1 C -0.834000 15.9994 + 2759 SYS 920 TIP3 H1 A 0.417000 1.0079 + 2760 SYS 920 TIP3 H2 A 0.417000 1.0079 + 2761 SYS 921 TIP3 O1 C -0.834000 15.9994 + 2762 SYS 921 TIP3 H1 A 0.417000 1.0079 + 2763 SYS 921 TIP3 H2 A 0.417000 1.0079 + 2764 SYS 922 TIP3 O1 C -0.834000 15.9994 + 2765 SYS 922 TIP3 H1 A 0.417000 1.0079 + 2766 SYS 922 TIP3 H2 A 0.417000 1.0079 + 2767 SYS 923 TIP3 O1 C -0.834000 15.9994 + 2768 SYS 923 TIP3 H1 A 0.417000 1.0079 + 2769 SYS 923 TIP3 H2 A 0.417000 1.0079 + 2770 SYS 924 TIP3 O1 C -0.834000 15.9994 + 2771 SYS 924 TIP3 H1 A 0.417000 1.0079 + 2772 SYS 924 TIP3 H2 A 0.417000 1.0079 + 2773 SYS 925 TIP3 O1 C -0.834000 15.9994 + 2774 SYS 925 TIP3 H1 A 0.417000 1.0079 + 2775 SYS 925 TIP3 H2 A 0.417000 1.0079 + 2776 SYS 926 TIP3 O1 C -0.834000 15.9994 + 2777 SYS 926 TIP3 H1 A 0.417000 1.0079 + 2778 SYS 926 TIP3 H2 A 0.417000 1.0079 + 2779 SYS 927 TIP3 O1 C -0.834000 15.9994 + 2780 SYS 927 TIP3 H1 A 0.417000 1.0079 + 2781 SYS 927 TIP3 H2 A 0.417000 1.0079 + 2782 SYS 928 TIP3 O1 C -0.834000 15.9994 + 2783 SYS 928 TIP3 H1 A 0.417000 1.0079 + 2784 SYS 928 TIP3 H2 A 0.417000 1.0079 + 2785 SYS 929 TIP3 O1 C -0.834000 15.9994 + 2786 SYS 929 TIP3 H1 A 0.417000 1.0079 + 2787 SYS 929 TIP3 H2 A 0.417000 1.0079 + 2788 SYS 930 TIP3 O1 C -0.834000 15.9994 + 2789 SYS 930 TIP3 H1 A 0.417000 1.0079 + 2790 SYS 930 TIP3 H2 A 0.417000 1.0079 + 2791 SYS 931 TIP3 O1 C -0.834000 15.9994 + 2792 SYS 931 TIP3 H1 A 0.417000 1.0079 + 2793 SYS 931 TIP3 H2 A 0.417000 1.0079 + 2794 SYS 932 TIP3 O1 C -0.834000 15.9994 + 2795 SYS 932 TIP3 H1 A 0.417000 1.0079 + 2796 SYS 932 TIP3 H2 A 0.417000 1.0079 + 2797 SYS 933 TIP3 O1 C -0.834000 15.9994 + 2798 SYS 933 TIP3 H1 A 0.417000 1.0079 + 2799 SYS 933 TIP3 H2 A 0.417000 1.0079 + 2800 SYS 934 TIP3 O1 C -0.834000 15.9994 + 2801 SYS 934 TIP3 H1 A 0.417000 1.0079 + 2802 SYS 934 TIP3 H2 A 0.417000 1.0079 + 2803 SYS 935 TIP3 O1 C -0.834000 15.9994 + 2804 SYS 935 TIP3 H1 A 0.417000 1.0079 + 2805 SYS 935 TIP3 H2 A 0.417000 1.0079 + 2806 SYS 936 TIP3 O1 C -0.834000 15.9994 + 2807 SYS 936 TIP3 H1 A 0.417000 1.0079 + 2808 SYS 936 TIP3 H2 A 0.417000 1.0079 + 2809 SYS 937 TIP3 O1 C -0.834000 15.9994 + 2810 SYS 937 TIP3 H1 A 0.417000 1.0079 + 2811 SYS 937 TIP3 H2 A 0.417000 1.0079 + 2812 SYS 938 TIP3 O1 C -0.834000 15.9994 + 2813 SYS 938 TIP3 H1 A 0.417000 1.0079 + 2814 SYS 938 TIP3 H2 A 0.417000 1.0079 + 2815 SYS 939 TIP3 O1 C -0.834000 15.9994 + 2816 SYS 939 TIP3 H1 A 0.417000 1.0079 + 2817 SYS 939 TIP3 H2 A 0.417000 1.0079 + 2818 SYS 940 TIP3 O1 C -0.834000 15.9994 + 2819 SYS 940 TIP3 H1 A 0.417000 1.0079 + 2820 SYS 940 TIP3 H2 A 0.417000 1.0079 + 2821 SYS 941 TIP3 O1 C -0.834000 15.9994 + 2822 SYS 941 TIP3 H1 A 0.417000 1.0079 + 2823 SYS 941 TIP3 H2 A 0.417000 1.0079 + 2824 SYS 942 TIP3 O1 C -0.834000 15.9994 + 2825 SYS 942 TIP3 H1 A 0.417000 1.0079 + 2826 SYS 942 TIP3 H2 A 0.417000 1.0079 + 2827 SYS 943 TIP3 O1 C -0.834000 15.9994 + 2828 SYS 943 TIP3 H1 A 0.417000 1.0079 + 2829 SYS 943 TIP3 H2 A 0.417000 1.0079 + 2830 SYS 944 TIP3 O1 C -0.834000 15.9994 + 2831 SYS 944 TIP3 H1 A 0.417000 1.0079 + 2832 SYS 944 TIP3 H2 A 0.417000 1.0079 + 2833 SYS 945 TIP3 O1 C -0.834000 15.9994 + 2834 SYS 945 TIP3 H1 A 0.417000 1.0079 + 2835 SYS 945 TIP3 H2 A 0.417000 1.0079 + 2836 SYS 946 TIP3 O1 C -0.834000 15.9994 + 2837 SYS 946 TIP3 H1 A 0.417000 1.0079 + 2838 SYS 946 TIP3 H2 A 0.417000 1.0079 + 2839 SYS 947 TIP3 O1 C -0.834000 15.9994 + 2840 SYS 947 TIP3 H1 A 0.417000 1.0079 + 2841 SYS 947 TIP3 H2 A 0.417000 1.0079 + 2842 SYS 948 TIP3 O1 C -0.834000 15.9994 + 2843 SYS 948 TIP3 H1 A 0.417000 1.0079 + 2844 SYS 948 TIP3 H2 A 0.417000 1.0079 + 2845 SYS 949 TIP3 O1 C -0.834000 15.9994 + 2846 SYS 949 TIP3 H1 A 0.417000 1.0079 + 2847 SYS 949 TIP3 H2 A 0.417000 1.0079 + 2848 SYS 950 TIP3 O1 C -0.834000 15.9994 + 2849 SYS 950 TIP3 H1 A 0.417000 1.0079 + 2850 SYS 950 TIP3 H2 A 0.417000 1.0079 + 2851 SYS 951 TIP3 O1 C -0.834000 15.9994 + 2852 SYS 951 TIP3 H1 A 0.417000 1.0079 + 2853 SYS 951 TIP3 H2 A 0.417000 1.0079 + 2854 SYS 952 TIP3 O1 C -0.834000 15.9994 + 2855 SYS 952 TIP3 H1 A 0.417000 1.0079 + 2856 SYS 952 TIP3 H2 A 0.417000 1.0079 + 2857 SYS 953 TIP3 O1 C -0.834000 15.9994 + 2858 SYS 953 TIP3 H1 A 0.417000 1.0079 + 2859 SYS 953 TIP3 H2 A 0.417000 1.0079 + 2860 SYS 954 TIP3 O1 C -0.834000 15.9994 + 2861 SYS 954 TIP3 H1 A 0.417000 1.0079 + 2862 SYS 954 TIP3 H2 A 0.417000 1.0079 + 2863 SYS 955 TIP3 O1 C -0.834000 15.9994 + 2864 SYS 955 TIP3 H1 A 0.417000 1.0079 + 2865 SYS 955 TIP3 H2 A 0.417000 1.0079 + 2866 SYS 956 TIP3 O1 C -0.834000 15.9994 + 2867 SYS 956 TIP3 H1 A 0.417000 1.0079 + 2868 SYS 956 TIP3 H2 A 0.417000 1.0079 + 2869 SYS 957 TIP3 O1 C -0.834000 15.9994 + 2870 SYS 957 TIP3 H1 A 0.417000 1.0079 + 2871 SYS 957 TIP3 H2 A 0.417000 1.0079 + 2872 SYS 958 TIP3 O1 C -0.834000 15.9994 + 2873 SYS 958 TIP3 H1 A 0.417000 1.0079 + 2874 SYS 958 TIP3 H2 A 0.417000 1.0079 + 2875 SYS 959 TIP3 O1 C -0.834000 15.9994 + 2876 SYS 959 TIP3 H1 A 0.417000 1.0079 + 2877 SYS 959 TIP3 H2 A 0.417000 1.0079 + 2878 SYS 960 TIP3 O1 C -0.834000 15.9994 + 2879 SYS 960 TIP3 H1 A 0.417000 1.0079 + 2880 SYS 960 TIP3 H2 A 0.417000 1.0079 + 2881 SYS 961 TIP3 O1 C -0.834000 15.9994 + 2882 SYS 961 TIP3 H1 A 0.417000 1.0079 + 2883 SYS 961 TIP3 H2 A 0.417000 1.0079 + 2884 SYS 962 TIP3 O1 C -0.834000 15.9994 + 2885 SYS 962 TIP3 H1 A 0.417000 1.0079 + 2886 SYS 962 TIP3 H2 A 0.417000 1.0079 + 2887 SYS 963 TIP3 O1 C -0.834000 15.9994 + 2888 SYS 963 TIP3 H1 A 0.417000 1.0079 + 2889 SYS 963 TIP3 H2 A 0.417000 1.0079 + 2890 SYS 964 TIP3 O1 C -0.834000 15.9994 + 2891 SYS 964 TIP3 H1 A 0.417000 1.0079 + 2892 SYS 964 TIP3 H2 A 0.417000 1.0079 + 2893 SYS 965 TIP3 O1 C -0.834000 15.9994 + 2894 SYS 965 TIP3 H1 A 0.417000 1.0079 + 2895 SYS 965 TIP3 H2 A 0.417000 1.0079 + 2896 SYS 966 TIP3 O1 C -0.834000 15.9994 + 2897 SYS 966 TIP3 H1 A 0.417000 1.0079 + 2898 SYS 966 TIP3 H2 A 0.417000 1.0079 + 2899 SYS 967 TIP3 O1 C -0.834000 15.9994 + 2900 SYS 967 TIP3 H1 A 0.417000 1.0079 + 2901 SYS 967 TIP3 H2 A 0.417000 1.0079 + 2902 SYS 968 TIP3 O1 C -0.834000 15.9994 + 2903 SYS 968 TIP3 H1 A 0.417000 1.0079 + 2904 SYS 968 TIP3 H2 A 0.417000 1.0079 + 2905 SYS 969 TIP3 O1 C -0.834000 15.9994 + 2906 SYS 969 TIP3 H1 A 0.417000 1.0079 + 2907 SYS 969 TIP3 H2 A 0.417000 1.0079 + 2908 SYS 970 TIP3 O1 C -0.834000 15.9994 + 2909 SYS 970 TIP3 H1 A 0.417000 1.0079 + 2910 SYS 970 TIP3 H2 A 0.417000 1.0079 + 2911 SYS 971 TIP3 O1 C -0.834000 15.9994 + 2912 SYS 971 TIP3 H1 A 0.417000 1.0079 + 2913 SYS 971 TIP3 H2 A 0.417000 1.0079 + 2914 SYS 972 TIP3 O1 C -0.834000 15.9994 + 2915 SYS 972 TIP3 H1 A 0.417000 1.0079 + 2916 SYS 972 TIP3 H2 A 0.417000 1.0079 + 2917 SYS 973 TIP3 O1 C -0.834000 15.9994 + 2918 SYS 973 TIP3 H1 A 0.417000 1.0079 + 2919 SYS 973 TIP3 H2 A 0.417000 1.0079 + 2920 SYS 974 TIP3 O1 C -0.834000 15.9994 + 2921 SYS 974 TIP3 H1 A 0.417000 1.0079 + 2922 SYS 974 TIP3 H2 A 0.417000 1.0079 + 2923 SYS 975 TIP3 O1 C -0.834000 15.9994 + 2924 SYS 975 TIP3 H1 A 0.417000 1.0079 + 2925 SYS 975 TIP3 H2 A 0.417000 1.0079 + 2926 SYS 976 TIP3 O1 C -0.834000 15.9994 + 2927 SYS 976 TIP3 H1 A 0.417000 1.0079 + 2928 SYS 976 TIP3 H2 A 0.417000 1.0079 + 2929 SYS 977 TIP3 O1 C -0.834000 15.9994 + 2930 SYS 977 TIP3 H1 A 0.417000 1.0079 + 2931 SYS 977 TIP3 H2 A 0.417000 1.0079 + 2932 SYS 978 TIP3 O1 C -0.834000 15.9994 + 2933 SYS 978 TIP3 H1 A 0.417000 1.0079 + 2934 SYS 978 TIP3 H2 A 0.417000 1.0079 + 2935 SYS 979 TIP3 O1 C -0.834000 15.9994 + 2936 SYS 979 TIP3 H1 A 0.417000 1.0079 + 2937 SYS 979 TIP3 H2 A 0.417000 1.0079 + 2938 SYS 980 TIP3 O1 C -0.834000 15.9994 + 2939 SYS 980 TIP3 H1 A 0.417000 1.0079 + 2940 SYS 980 TIP3 H2 A 0.417000 1.0079 + 2941 SYS 981 TIP3 O1 C -0.834000 15.9994 + 2942 SYS 981 TIP3 H1 A 0.417000 1.0079 + 2943 SYS 981 TIP3 H2 A 0.417000 1.0079 + 2944 SYS 982 TIP3 O1 C -0.834000 15.9994 + 2945 SYS 982 TIP3 H1 A 0.417000 1.0079 + 2946 SYS 982 TIP3 H2 A 0.417000 1.0079 + 2947 SYS 983 TIP3 O1 C -0.834000 15.9994 + 2948 SYS 983 TIP3 H1 A 0.417000 1.0079 + 2949 SYS 983 TIP3 H2 A 0.417000 1.0079 + 2950 SYS 984 TIP3 O1 C -0.834000 15.9994 + 2951 SYS 984 TIP3 H1 A 0.417000 1.0079 + 2952 SYS 984 TIP3 H2 A 0.417000 1.0079 + 2953 SYS 985 TIP3 O1 C -0.834000 15.9994 + 2954 SYS 985 TIP3 H1 A 0.417000 1.0079 + 2955 SYS 985 TIP3 H2 A 0.417000 1.0079 + 2956 SYS 986 TIP3 O1 C -0.834000 15.9994 + 2957 SYS 986 TIP3 H1 A 0.417000 1.0079 + 2958 SYS 986 TIP3 H2 A 0.417000 1.0079 + 2959 SYS 987 TIP3 O1 C -0.834000 15.9994 + 2960 SYS 987 TIP3 H1 A 0.417000 1.0079 + 2961 SYS 987 TIP3 H2 A 0.417000 1.0079 + 2962 SYS 988 TIP3 O1 C -0.834000 15.9994 + 2963 SYS 988 TIP3 H1 A 0.417000 1.0079 + 2964 SYS 988 TIP3 H2 A 0.417000 1.0079 + 2965 SYS 989 TIP3 O1 C -0.834000 15.9994 + 2966 SYS 989 TIP3 H1 A 0.417000 1.0079 + 2967 SYS 989 TIP3 H2 A 0.417000 1.0079 + 2968 SYS 990 TIP3 O1 C -0.834000 15.9994 + 2969 SYS 990 TIP3 H1 A 0.417000 1.0079 + 2970 SYS 990 TIP3 H2 A 0.417000 1.0079 + 2971 SYS 991 TIP3 O1 C -0.834000 15.9994 + 2972 SYS 991 TIP3 H1 A 0.417000 1.0079 + 2973 SYS 991 TIP3 H2 A 0.417000 1.0079 + 2974 SYS 992 TIP3 O1 C -0.834000 15.9994 + 2975 SYS 992 TIP3 H1 A 0.417000 1.0079 + 2976 SYS 992 TIP3 H2 A 0.417000 1.0079 + 2977 SYS 993 TIP3 O1 C -0.834000 15.9994 + 2978 SYS 993 TIP3 H1 A 0.417000 1.0079 + 2979 SYS 993 TIP3 H2 A 0.417000 1.0079 + 2980 SYS 994 TIP3 O1 C -0.834000 15.9994 + 2981 SYS 994 TIP3 H1 A 0.417000 1.0079 + 2982 SYS 994 TIP3 H2 A 0.417000 1.0079 + 2983 SYS 995 TIP3 O1 C -0.834000 15.9994 + 2984 SYS 995 TIP3 H1 A 0.417000 1.0079 + 2985 SYS 995 TIP3 H2 A 0.417000 1.0079 + 2986 SYS 996 TIP3 O1 C -0.834000 15.9994 + 2987 SYS 996 TIP3 H1 A 0.417000 1.0079 + 2988 SYS 996 TIP3 H2 A 0.417000 1.0079 + 2989 SYS 997 TIP3 O1 C -0.834000 15.9994 + 2990 SYS 997 TIP3 H1 A 0.417000 1.0079 + 2991 SYS 997 TIP3 H2 A 0.417000 1.0079 + 2992 SYS 998 TIP3 O1 C -0.834000 15.9994 + 2993 SYS 998 TIP3 H1 A 0.417000 1.0079 + 2994 SYS 998 TIP3 H2 A 0.417000 1.0079 + 2995 SYS 999 TIP3 O1 C -0.834000 15.9994 + 2996 SYS 999 TIP3 H1 A 0.417000 1.0079 + 2997 SYS 999 TIP3 H2 A 0.417000 1.0079 + 2998 SYS 1000 TIP3 O1 C -0.834000 15.9994 + 2999 SYS 1000 TIP3 H1 A 0.417000 1.0079 + 3000 SYS 1000 TIP3 H2 A 0.417000 1.0079 + 3001 SYS 1001 TIP3 O1 C -0.834000 15.9994 + 3002 SYS 1001 TIP3 H1 A 0.417000 1.0079 + 3003 SYS 1001 TIP3 H2 A 0.417000 1.0079 + 3004 SYS 1002 TIP3 O1 C -0.834000 15.9994 + 3005 SYS 1002 TIP3 H1 A 0.417000 1.0079 + 3006 SYS 1002 TIP3 H2 A 0.417000 1.0079 + 3007 SYS 1003 TIP3 O1 C -0.834000 15.9994 + 3008 SYS 1003 TIP3 H1 A 0.417000 1.0079 + 3009 SYS 1003 TIP3 H2 A 0.417000 1.0079 + 3010 SYS 1004 TIP3 O1 C -0.834000 15.9994 + 3011 SYS 1004 TIP3 H1 A 0.417000 1.0079 + 3012 SYS 1004 TIP3 H2 A 0.417000 1.0079 + 3013 SYS 1005 TIP3 O1 C -0.834000 15.9994 + 3014 SYS 1005 TIP3 H1 A 0.417000 1.0079 + 3015 SYS 1005 TIP3 H2 A 0.417000 1.0079 + 3016 SYS 1006 TIP3 O1 C -0.834000 15.9994 + 3017 SYS 1006 TIP3 H1 A 0.417000 1.0079 + 3018 SYS 1006 TIP3 H2 A 0.417000 1.0079 + 3019 SYS 1007 TIP3 O1 C -0.834000 15.9994 + 3020 SYS 1007 TIP3 H1 A 0.417000 1.0079 + 3021 SYS 1007 TIP3 H2 A 0.417000 1.0079 + 3022 SYS 1008 TIP3 O1 C -0.834000 15.9994 + 3023 SYS 1008 TIP3 H1 A 0.417000 1.0079 + 3024 SYS 1008 TIP3 H2 A 0.417000 1.0079 + 3025 SYS 1009 TIP3 O1 C -0.834000 15.9994 + 3026 SYS 1009 TIP3 H1 A 0.417000 1.0079 + 3027 SYS 1009 TIP3 H2 A 0.417000 1.0079 + 3028 SYS 1010 TIP3 O1 C -0.834000 15.9994 + 3029 SYS 1010 TIP3 H1 A 0.417000 1.0079 + 3030 SYS 1010 TIP3 H2 A 0.417000 1.0079 + 3031 SYS 1011 TIP3 O1 C -0.834000 15.9994 + 3032 SYS 1011 TIP3 H1 A 0.417000 1.0079 + 3033 SYS 1011 TIP3 H2 A 0.417000 1.0079 + 3034 SYS 1012 TIP3 O1 C -0.834000 15.9994 + 3035 SYS 1012 TIP3 H1 A 0.417000 1.0079 + 3036 SYS 1012 TIP3 H2 A 0.417000 1.0079 + 3037 SYS 1013 TIP3 O1 C -0.834000 15.9994 + 3038 SYS 1013 TIP3 H1 A 0.417000 1.0079 + 3039 SYS 1013 TIP3 H2 A 0.417000 1.0079 + 3040 SYS 1014 TIP3 O1 C -0.834000 15.9994 + 3041 SYS 1014 TIP3 H1 A 0.417000 1.0079 + 3042 SYS 1014 TIP3 H2 A 0.417000 1.0079 + 3043 SYS 1015 TIP3 O1 C -0.834000 15.9994 + 3044 SYS 1015 TIP3 H1 A 0.417000 1.0079 + 3045 SYS 1015 TIP3 H2 A 0.417000 1.0079 + 3046 SYS 1016 TIP3 O1 C -0.834000 15.9994 + 3047 SYS 1016 TIP3 H1 A 0.417000 1.0079 + 3048 SYS 1016 TIP3 H2 A 0.417000 1.0079 + 3049 SYS 1017 TIP3 O1 C -0.834000 15.9994 + 3050 SYS 1017 TIP3 H1 A 0.417000 1.0079 + 3051 SYS 1017 TIP3 H2 A 0.417000 1.0079 + 3052 SYS 1018 TIP3 O1 C -0.834000 15.9994 + 3053 SYS 1018 TIP3 H1 A 0.417000 1.0079 + 3054 SYS 1018 TIP3 H2 A 0.417000 1.0079 + 3055 SYS 1019 TIP3 O1 C -0.834000 15.9994 + 3056 SYS 1019 TIP3 H1 A 0.417000 1.0079 + 3057 SYS 1019 TIP3 H2 A 0.417000 1.0079 + 3058 SYS 1020 TIP3 O1 C -0.834000 15.9994 + 3059 SYS 1020 TIP3 H1 A 0.417000 1.0079 + 3060 SYS 1020 TIP3 H2 A 0.417000 1.0079 + 3061 SYS 1021 TIP3 O1 C -0.834000 15.9994 + 3062 SYS 1021 TIP3 H1 A 0.417000 1.0079 + 3063 SYS 1021 TIP3 H2 A 0.417000 1.0079 + 3064 SYS 1022 TIP3 O1 C -0.834000 15.9994 + 3065 SYS 1022 TIP3 H1 A 0.417000 1.0079 + 3066 SYS 1022 TIP3 H2 A 0.417000 1.0079 + 3067 SYS 1023 TIP3 O1 C -0.834000 15.9994 + 3068 SYS 1023 TIP3 H1 A 0.417000 1.0079 + 3069 SYS 1023 TIP3 H2 A 0.417000 1.0079 + 3070 SYS 1024 TIP3 O1 C -0.834000 15.9994 + 3071 SYS 1024 TIP3 H1 A 0.417000 1.0079 + 3072 SYS 1024 TIP3 H2 A 0.417000 1.0079 + 3073 SYS 1025 TIP3 O1 C -0.834000 15.9994 + 3074 SYS 1025 TIP3 H1 A 0.417000 1.0079 + 3075 SYS 1025 TIP3 H2 A 0.417000 1.0079 + 3076 SYS 1026 TIP3 O1 C -0.834000 15.9994 + 3077 SYS 1026 TIP3 H1 A 0.417000 1.0079 + 3078 SYS 1026 TIP3 H2 A 0.417000 1.0079 + 3079 SYS 1027 TIP3 O1 C -0.834000 15.9994 + 3080 SYS 1027 TIP3 H1 A 0.417000 1.0079 + 3081 SYS 1027 TIP3 H2 A 0.417000 1.0079 + 3082 SYS 1028 TIP3 O1 C -0.834000 15.9994 + 3083 SYS 1028 TIP3 H1 A 0.417000 1.0079 + 3084 SYS 1028 TIP3 H2 A 0.417000 1.0079 + 3085 SYS 1029 TIP3 O1 C -0.834000 15.9994 + 3086 SYS 1029 TIP3 H1 A 0.417000 1.0079 + 3087 SYS 1029 TIP3 H2 A 0.417000 1.0079 + 3088 SYS 1030 TIP3 O1 C -0.834000 15.9994 + 3089 SYS 1030 TIP3 H1 A 0.417000 1.0079 + 3090 SYS 1030 TIP3 H2 A 0.417000 1.0079 + 3091 SYS 1031 TIP3 O1 C -0.834000 15.9994 + 3092 SYS 1031 TIP3 H1 A 0.417000 1.0079 + 3093 SYS 1031 TIP3 H2 A 0.417000 1.0079 + 3094 SYS 1032 TIP3 O1 C -0.834000 15.9994 + 3095 SYS 1032 TIP3 H1 A 0.417000 1.0079 + 3096 SYS 1032 TIP3 H2 A 0.417000 1.0079 + 3097 SYS 1033 TIP3 O1 C -0.834000 15.9994 + 3098 SYS 1033 TIP3 H1 A 0.417000 1.0079 + 3099 SYS 1033 TIP3 H2 A 0.417000 1.0079 + 3100 SYS 1034 TIP3 O1 C -0.834000 15.9994 + 3101 SYS 1034 TIP3 H1 A 0.417000 1.0079 + 3102 SYS 1034 TIP3 H2 A 0.417000 1.0079 + 3103 SYS 1035 TIP3 O1 C -0.834000 15.9994 + 3104 SYS 1035 TIP3 H1 A 0.417000 1.0079 + 3105 SYS 1035 TIP3 H2 A 0.417000 1.0079 + 3106 SYS 1036 TIP3 O1 C -0.834000 15.9994 + 3107 SYS 1036 TIP3 H1 A 0.417000 1.0079 + 3108 SYS 1036 TIP3 H2 A 0.417000 1.0079 + 3109 SYS 1037 TIP3 O1 C -0.834000 15.9994 + 3110 SYS 1037 TIP3 H1 A 0.417000 1.0079 + 3111 SYS 1037 TIP3 H2 A 0.417000 1.0079 + 3112 SYS 1038 TIP3 O1 C -0.834000 15.9994 + 3113 SYS 1038 TIP3 H1 A 0.417000 1.0079 + 3114 SYS 1038 TIP3 H2 A 0.417000 1.0079 + 3115 SYS 1039 TIP3 O1 C -0.834000 15.9994 + 3116 SYS 1039 TIP3 H1 A 0.417000 1.0079 + 3117 SYS 1039 TIP3 H2 A 0.417000 1.0079 + 3118 SYS 1040 TIP3 O1 C -0.834000 15.9994 + 3119 SYS 1040 TIP3 H1 A 0.417000 1.0079 + 3120 SYS 1040 TIP3 H2 A 0.417000 1.0079 + 3121 SYS 1041 TIP3 O1 C -0.834000 15.9994 + 3122 SYS 1041 TIP3 H1 A 0.417000 1.0079 + 3123 SYS 1041 TIP3 H2 A 0.417000 1.0079 + 3124 SYS 1042 TIP3 O1 C -0.834000 15.9994 + 3125 SYS 1042 TIP3 H1 A 0.417000 1.0079 + 3126 SYS 1042 TIP3 H2 A 0.417000 1.0079 + 3127 SYS 1043 TIP3 O1 C -0.834000 15.9994 + 3128 SYS 1043 TIP3 H1 A 0.417000 1.0079 + 3129 SYS 1043 TIP3 H2 A 0.417000 1.0079 + 3130 SYS 1044 TIP3 O1 C -0.834000 15.9994 + 3131 SYS 1044 TIP3 H1 A 0.417000 1.0079 + 3132 SYS 1044 TIP3 H2 A 0.417000 1.0079 + 3133 SYS 1045 TIP3 O1 C -0.834000 15.9994 + 3134 SYS 1045 TIP3 H1 A 0.417000 1.0079 + 3135 SYS 1045 TIP3 H2 A 0.417000 1.0079 + 3136 SYS 1046 TIP3 O1 C -0.834000 15.9994 + 3137 SYS 1046 TIP3 H1 A 0.417000 1.0079 + 3138 SYS 1046 TIP3 H2 A 0.417000 1.0079 + 3139 SYS 1047 TIP3 O1 C -0.834000 15.9994 + 3140 SYS 1047 TIP3 H1 A 0.417000 1.0079 + 3141 SYS 1047 TIP3 H2 A 0.417000 1.0079 + 3142 SYS 1048 TIP3 O1 C -0.834000 15.9994 + 3143 SYS 1048 TIP3 H1 A 0.417000 1.0079 + 3144 SYS 1048 TIP3 H2 A 0.417000 1.0079 + 3145 SYS 1049 TIP3 O1 C -0.834000 15.9994 + 3146 SYS 1049 TIP3 H1 A 0.417000 1.0079 + 3147 SYS 1049 TIP3 H2 A 0.417000 1.0079 + 3148 SYS 1050 TIP3 O1 C -0.834000 15.9994 + 3149 SYS 1050 TIP3 H1 A 0.417000 1.0079 + 3150 SYS 1050 TIP3 H2 A 0.417000 1.0079 + 3151 SYS 1051 TIP3 O1 C -0.834000 15.9994 + 3152 SYS 1051 TIP3 H1 A 0.417000 1.0079 + 3153 SYS 1051 TIP3 H2 A 0.417000 1.0079 + 3154 SYS 1052 TIP3 O1 C -0.834000 15.9994 + 3155 SYS 1052 TIP3 H1 A 0.417000 1.0079 + 3156 SYS 1052 TIP3 H2 A 0.417000 1.0079 + 3157 SYS 1053 TIP3 O1 C -0.834000 15.9994 + 3158 SYS 1053 TIP3 H1 A 0.417000 1.0079 + 3159 SYS 1053 TIP3 H2 A 0.417000 1.0079 + 3160 SYS 1054 TIP3 O1 C -0.834000 15.9994 + 3161 SYS 1054 TIP3 H1 A 0.417000 1.0079 + 3162 SYS 1054 TIP3 H2 A 0.417000 1.0079 + 3163 SYS 1055 TIP3 O1 C -0.834000 15.9994 + 3164 SYS 1055 TIP3 H1 A 0.417000 1.0079 + 3165 SYS 1055 TIP3 H2 A 0.417000 1.0079 + 3166 SYS 1056 TIP3 O1 C -0.834000 15.9994 + 3167 SYS 1056 TIP3 H1 A 0.417000 1.0079 + 3168 SYS 1056 TIP3 H2 A 0.417000 1.0079 + 3169 SYS 1057 TIP3 O1 C -0.834000 15.9994 + 3170 SYS 1057 TIP3 H1 A 0.417000 1.0079 + 3171 SYS 1057 TIP3 H2 A 0.417000 1.0079 + 3172 SYS 1058 TIP3 O1 C -0.834000 15.9994 + 3173 SYS 1058 TIP3 H1 A 0.417000 1.0079 + 3174 SYS 1058 TIP3 H2 A 0.417000 1.0079 + 3175 SYS 1059 TIP3 O1 C -0.834000 15.9994 + 3176 SYS 1059 TIP3 H1 A 0.417000 1.0079 + 3177 SYS 1059 TIP3 H2 A 0.417000 1.0079 + 3178 SYS 1060 TIP3 O1 C -0.834000 15.9994 + 3179 SYS 1060 TIP3 H1 A 0.417000 1.0079 + 3180 SYS 1060 TIP3 H2 A 0.417000 1.0079 + 3181 SYS 1061 TIP3 O1 C -0.834000 15.9994 + 3182 SYS 1061 TIP3 H1 A 0.417000 1.0079 + 3183 SYS 1061 TIP3 H2 A 0.417000 1.0079 + 3184 SYS 1062 TIP3 O1 C -0.834000 15.9994 + 3185 SYS 1062 TIP3 H1 A 0.417000 1.0079 + 3186 SYS 1062 TIP3 H2 A 0.417000 1.0079 + 3187 SYS 1063 TIP3 O1 C -0.834000 15.9994 + 3188 SYS 1063 TIP3 H1 A 0.417000 1.0079 + 3189 SYS 1063 TIP3 H2 A 0.417000 1.0079 + 3190 SYS 1064 TIP3 O1 C -0.834000 15.9994 + 3191 SYS 1064 TIP3 H1 A 0.417000 1.0079 + 3192 SYS 1064 TIP3 H2 A 0.417000 1.0079 + 3193 SYS 1065 TIP3 O1 C -0.834000 15.9994 + 3194 SYS 1065 TIP3 H1 A 0.417000 1.0079 + 3195 SYS 1065 TIP3 H2 A 0.417000 1.0079 + 3196 SYS 1066 TIP3 O1 C -0.834000 15.9994 + 3197 SYS 1066 TIP3 H1 A 0.417000 1.0079 + 3198 SYS 1066 TIP3 H2 A 0.417000 1.0079 + 3199 SYS 1067 TIP3 O1 C -0.834000 15.9994 + 3200 SYS 1067 TIP3 H1 A 0.417000 1.0079 + 3201 SYS 1067 TIP3 H2 A 0.417000 1.0079 + 3202 SYS 1068 TIP3 O1 C -0.834000 15.9994 + 3203 SYS 1068 TIP3 H1 A 0.417000 1.0079 + 3204 SYS 1068 TIP3 H2 A 0.417000 1.0079 + 3205 SYS 1069 TIP3 O1 C -0.834000 15.9994 + 3206 SYS 1069 TIP3 H1 A 0.417000 1.0079 + 3207 SYS 1069 TIP3 H2 A 0.417000 1.0079 + 3208 SYS 1070 TIP3 O1 C -0.834000 15.9994 + 3209 SYS 1070 TIP3 H1 A 0.417000 1.0079 + 3210 SYS 1070 TIP3 H2 A 0.417000 1.0079 + 3211 SYS 1071 TIP3 O1 C -0.834000 15.9994 + 3212 SYS 1071 TIP3 H1 A 0.417000 1.0079 + 3213 SYS 1071 TIP3 H2 A 0.417000 1.0079 + 3214 SYS 1072 TIP3 O1 C -0.834000 15.9994 + 3215 SYS 1072 TIP3 H1 A 0.417000 1.0079 + 3216 SYS 1072 TIP3 H2 A 0.417000 1.0079 + 3217 SYS 1073 TIP3 O1 C -0.834000 15.9994 + 3218 SYS 1073 TIP3 H1 A 0.417000 1.0079 + 3219 SYS 1073 TIP3 H2 A 0.417000 1.0079 + 3220 SYS 1074 TIP3 O1 C -0.834000 15.9994 + 3221 SYS 1074 TIP3 H1 A 0.417000 1.0079 + 3222 SYS 1074 TIP3 H2 A 0.417000 1.0079 + 3223 SYS 1075 TIP3 O1 C -0.834000 15.9994 + 3224 SYS 1075 TIP3 H1 A 0.417000 1.0079 + 3225 SYS 1075 TIP3 H2 A 0.417000 1.0079 + 3226 SYS 1076 TIP3 O1 C -0.834000 15.9994 + 3227 SYS 1076 TIP3 H1 A 0.417000 1.0079 + 3228 SYS 1076 TIP3 H2 A 0.417000 1.0079 + 3229 SYS 1077 TIP3 O1 C -0.834000 15.9994 + 3230 SYS 1077 TIP3 H1 A 0.417000 1.0079 + 3231 SYS 1077 TIP3 H2 A 0.417000 1.0079 + 3232 SYS 1078 TIP3 O1 C -0.834000 15.9994 + 3233 SYS 1078 TIP3 H1 A 0.417000 1.0079 + 3234 SYS 1078 TIP3 H2 A 0.417000 1.0079 + 3235 SYS 1079 TIP3 O1 C -0.834000 15.9994 + 3236 SYS 1079 TIP3 H1 A 0.417000 1.0079 + 3237 SYS 1079 TIP3 H2 A 0.417000 1.0079 + 3238 SYS 1080 TIP3 O1 C -0.834000 15.9994 + 3239 SYS 1080 TIP3 H1 A 0.417000 1.0079 + 3240 SYS 1080 TIP3 H2 A 0.417000 1.0079 + 3241 SYS 1081 TIP3 O1 C -0.834000 15.9994 + 3242 SYS 1081 TIP3 H1 A 0.417000 1.0079 + 3243 SYS 1081 TIP3 H2 A 0.417000 1.0079 + 3244 SYS 1082 TIP3 O1 C -0.834000 15.9994 + 3245 SYS 1082 TIP3 H1 A 0.417000 1.0079 + 3246 SYS 1082 TIP3 H2 A 0.417000 1.0079 + 3247 SYS 1083 TIP3 O1 C -0.834000 15.9994 + 3248 SYS 1083 TIP3 H1 A 0.417000 1.0079 + 3249 SYS 1083 TIP3 H2 A 0.417000 1.0079 + 3250 SYS 1084 TIP3 O1 C -0.834000 15.9994 + 3251 SYS 1084 TIP3 H1 A 0.417000 1.0079 + 3252 SYS 1084 TIP3 H2 A 0.417000 1.0079 + 3253 SYS 1085 TIP3 O1 C -0.834000 15.9994 + 3254 SYS 1085 TIP3 H1 A 0.417000 1.0079 + 3255 SYS 1085 TIP3 H2 A 0.417000 1.0079 + 3256 SYS 1086 TIP3 O1 C -0.834000 15.9994 + 3257 SYS 1086 TIP3 H1 A 0.417000 1.0079 + 3258 SYS 1086 TIP3 H2 A 0.417000 1.0079 + 3259 SYS 1087 TIP3 O1 C -0.834000 15.9994 + 3260 SYS 1087 TIP3 H1 A 0.417000 1.0079 + 3261 SYS 1087 TIP3 H2 A 0.417000 1.0079 + 3262 SYS 1088 TIP3 O1 C -0.834000 15.9994 + 3263 SYS 1088 TIP3 H1 A 0.417000 1.0079 + 3264 SYS 1088 TIP3 H2 A 0.417000 1.0079 + 3265 SYS 1089 TIP3 O1 C -0.834000 15.9994 + 3266 SYS 1089 TIP3 H1 A 0.417000 1.0079 + 3267 SYS 1089 TIP3 H2 A 0.417000 1.0079 + 3268 SYS 1090 TIP3 O1 C -0.834000 15.9994 + 3269 SYS 1090 TIP3 H1 A 0.417000 1.0079 + 3270 SYS 1090 TIP3 H2 A 0.417000 1.0079 + 3271 SYS 1091 TIP3 O1 C -0.834000 15.9994 + 3272 SYS 1091 TIP3 H1 A 0.417000 1.0079 + 3273 SYS 1091 TIP3 H2 A 0.417000 1.0079 + 3274 SYS 1092 TIP3 O1 C -0.834000 15.9994 + 3275 SYS 1092 TIP3 H1 A 0.417000 1.0079 + 3276 SYS 1092 TIP3 H2 A 0.417000 1.0079 + 3277 SYS 1093 TIP3 O1 C -0.834000 15.9994 + 3278 SYS 1093 TIP3 H1 A 0.417000 1.0079 + 3279 SYS 1093 TIP3 H2 A 0.417000 1.0079 + 3280 SYS 1094 TIP3 O1 C -0.834000 15.9994 + 3281 SYS 1094 TIP3 H1 A 0.417000 1.0079 + 3282 SYS 1094 TIP3 H2 A 0.417000 1.0079 + 3283 SYS 1095 TIP3 O1 C -0.834000 15.9994 + 3284 SYS 1095 TIP3 H1 A 0.417000 1.0079 + 3285 SYS 1095 TIP3 H2 A 0.417000 1.0079 + 3286 SYS 1096 TIP3 O1 C -0.834000 15.9994 + 3287 SYS 1096 TIP3 H1 A 0.417000 1.0079 + 3288 SYS 1096 TIP3 H2 A 0.417000 1.0079 + 3289 SYS 1097 TIP3 O1 C -0.834000 15.9994 + 3290 SYS 1097 TIP3 H1 A 0.417000 1.0079 + 3291 SYS 1097 TIP3 H2 A 0.417000 1.0079 + 3292 SYS 1098 TIP3 O1 C -0.834000 15.9994 + 3293 SYS 1098 TIP3 H1 A 0.417000 1.0079 + 3294 SYS 1098 TIP3 H2 A 0.417000 1.0079 + 3295 SYS 1099 TIP3 O1 C -0.834000 15.9994 + 3296 SYS 1099 TIP3 H1 A 0.417000 1.0079 + 3297 SYS 1099 TIP3 H2 A 0.417000 1.0079 + 3298 SYS 1100 TIP3 O1 C -0.834000 15.9994 + 3299 SYS 1100 TIP3 H1 A 0.417000 1.0079 + 3300 SYS 1100 TIP3 H2 A 0.417000 1.0079 + 3301 SYS 1101 TIP3 O1 C -0.834000 15.9994 + 3302 SYS 1101 TIP3 H1 A 0.417000 1.0079 + 3303 SYS 1101 TIP3 H2 A 0.417000 1.0079 + 3304 SYS 1102 TIP3 O1 C -0.834000 15.9994 + 3305 SYS 1102 TIP3 H1 A 0.417000 1.0079 + 3306 SYS 1102 TIP3 H2 A 0.417000 1.0079 + 3307 SYS 1103 TIP3 O1 C -0.834000 15.9994 + 3308 SYS 1103 TIP3 H1 A 0.417000 1.0079 + 3309 SYS 1103 TIP3 H2 A 0.417000 1.0079 + 3310 SYS 1104 TIP3 O1 C -0.834000 15.9994 + 3311 SYS 1104 TIP3 H1 A 0.417000 1.0079 + 3312 SYS 1104 TIP3 H2 A 0.417000 1.0079 + 3313 SYS 1105 TIP3 O1 C -0.834000 15.9994 + 3314 SYS 1105 TIP3 H1 A 0.417000 1.0079 + 3315 SYS 1105 TIP3 H2 A 0.417000 1.0079 + 3316 SYS 1106 TIP3 O1 C -0.834000 15.9994 + 3317 SYS 1106 TIP3 H1 A 0.417000 1.0079 + 3318 SYS 1106 TIP3 H2 A 0.417000 1.0079 + 3319 SYS 1107 TIP3 O1 C -0.834000 15.9994 + 3320 SYS 1107 TIP3 H1 A 0.417000 1.0079 + 3321 SYS 1107 TIP3 H2 A 0.417000 1.0079 + 3322 SYS 1108 TIP3 O1 C -0.834000 15.9994 + 3323 SYS 1108 TIP3 H1 A 0.417000 1.0079 + 3324 SYS 1108 TIP3 H2 A 0.417000 1.0079 + 3325 SYS 1109 TIP3 O1 C -0.834000 15.9994 + 3326 SYS 1109 TIP3 H1 A 0.417000 1.0079 + 3327 SYS 1109 TIP3 H2 A 0.417000 1.0079 + 3328 SYS 1110 TIP3 O1 C -0.834000 15.9994 + 3329 SYS 1110 TIP3 H1 A 0.417000 1.0079 + 3330 SYS 1110 TIP3 H2 A 0.417000 1.0079 + 3331 SYS 1111 TIP3 O1 C -0.834000 15.9994 + 3332 SYS 1111 TIP3 H1 A 0.417000 1.0079 + 3333 SYS 1111 TIP3 H2 A 0.417000 1.0079 + 3334 SYS 1112 TIP3 O1 C -0.834000 15.9994 + 3335 SYS 1112 TIP3 H1 A 0.417000 1.0079 + 3336 SYS 1112 TIP3 H2 A 0.417000 1.0079 + 3337 SYS 1113 TIP3 O1 C -0.834000 15.9994 + 3338 SYS 1113 TIP3 H1 A 0.417000 1.0079 + 3339 SYS 1113 TIP3 H2 A 0.417000 1.0079 + 3340 SYS 1114 TIP3 O1 C -0.834000 15.9994 + 3341 SYS 1114 TIP3 H1 A 0.417000 1.0079 + 3342 SYS 1114 TIP3 H2 A 0.417000 1.0079 + 3343 SYS 1115 TIP3 O1 C -0.834000 15.9994 + 3344 SYS 1115 TIP3 H1 A 0.417000 1.0079 + 3345 SYS 1115 TIP3 H2 A 0.417000 1.0079 + 3346 SYS 1116 TIP3 O1 C -0.834000 15.9994 + 3347 SYS 1116 TIP3 H1 A 0.417000 1.0079 + 3348 SYS 1116 TIP3 H2 A 0.417000 1.0079 + 3349 SYS 1117 TIP3 O1 C -0.834000 15.9994 + 3350 SYS 1117 TIP3 H1 A 0.417000 1.0079 + 3351 SYS 1117 TIP3 H2 A 0.417000 1.0079 + 3352 SYS 1118 TIP3 O1 C -0.834000 15.9994 + 3353 SYS 1118 TIP3 H1 A 0.417000 1.0079 + 3354 SYS 1118 TIP3 H2 A 0.417000 1.0079 + 3355 SYS 1119 TIP3 O1 C -0.834000 15.9994 + 3356 SYS 1119 TIP3 H1 A 0.417000 1.0079 + 3357 SYS 1119 TIP3 H2 A 0.417000 1.0079 + 3358 SYS 1120 TIP3 O1 C -0.834000 15.9994 + 3359 SYS 1120 TIP3 H1 A 0.417000 1.0079 + 3360 SYS 1120 TIP3 H2 A 0.417000 1.0079 + 3361 SYS 1121 TIP3 O1 C -0.834000 15.9994 + 3362 SYS 1121 TIP3 H1 A 0.417000 1.0079 + 3363 SYS 1121 TIP3 H2 A 0.417000 1.0079 + 3364 SYS 1122 TIP3 O1 C -0.834000 15.9994 + 3365 SYS 1122 TIP3 H1 A 0.417000 1.0079 + 3366 SYS 1122 TIP3 H2 A 0.417000 1.0079 + 3367 SYS 1123 TIP3 O1 C -0.834000 15.9994 + 3368 SYS 1123 TIP3 H1 A 0.417000 1.0079 + 3369 SYS 1123 TIP3 H2 A 0.417000 1.0079 + 3370 SYS 1124 TIP3 O1 C -0.834000 15.9994 + 3371 SYS 1124 TIP3 H1 A 0.417000 1.0079 + 3372 SYS 1124 TIP3 H2 A 0.417000 1.0079 + 3373 SYS 1125 TIP3 O1 C -0.834000 15.9994 + 3374 SYS 1125 TIP3 H1 A 0.417000 1.0079 + 3375 SYS 1125 TIP3 H2 A 0.417000 1.0079 + 3376 SYS 1126 TIP3 O1 C -0.834000 15.9994 + 3377 SYS 1126 TIP3 H1 A 0.417000 1.0079 + 3378 SYS 1126 TIP3 H2 A 0.417000 1.0079 + 3379 SYS 1127 TIP3 O1 C -0.834000 15.9994 + 3380 SYS 1127 TIP3 H1 A 0.417000 1.0079 + 3381 SYS 1127 TIP3 H2 A 0.417000 1.0079 + 3382 SYS 1128 TIP3 O1 C -0.834000 15.9994 + 3383 SYS 1128 TIP3 H1 A 0.417000 1.0079 + 3384 SYS 1128 TIP3 H2 A 0.417000 1.0079 + 3385 SYS 1129 TIP3 O1 C -0.834000 15.9994 + 3386 SYS 1129 TIP3 H1 A 0.417000 1.0079 + 3387 SYS 1129 TIP3 H2 A 0.417000 1.0079 + 3388 SYS 1130 TIP3 O1 C -0.834000 15.9994 + 3389 SYS 1130 TIP3 H1 A 0.417000 1.0079 + 3390 SYS 1130 TIP3 H2 A 0.417000 1.0079 + 3391 SYS 1131 TIP3 O1 C -0.834000 15.9994 + 3392 SYS 1131 TIP3 H1 A 0.417000 1.0079 + 3393 SYS 1131 TIP3 H2 A 0.417000 1.0079 + 3394 SYS 1132 TIP3 O1 C -0.834000 15.9994 + 3395 SYS 1132 TIP3 H1 A 0.417000 1.0079 + 3396 SYS 1132 TIP3 H2 A 0.417000 1.0079 + 3397 SYS 1133 TIP3 O1 C -0.834000 15.9994 + 3398 SYS 1133 TIP3 H1 A 0.417000 1.0079 + 3399 SYS 1133 TIP3 H2 A 0.417000 1.0079 + 3400 SYS 1134 TIP3 O1 C -0.834000 15.9994 + 3401 SYS 1134 TIP3 H1 A 0.417000 1.0079 + 3402 SYS 1134 TIP3 H2 A 0.417000 1.0079 + 3403 SYS 1135 TIP3 O1 C -0.834000 15.9994 + 3404 SYS 1135 TIP3 H1 A 0.417000 1.0079 + 3405 SYS 1135 TIP3 H2 A 0.417000 1.0079 + 3406 SYS 1136 TIP3 O1 C -0.834000 15.9994 + 3407 SYS 1136 TIP3 H1 A 0.417000 1.0079 + 3408 SYS 1136 TIP3 H2 A 0.417000 1.0079 + 3409 SYS 1137 TIP3 O1 C -0.834000 15.9994 + 3410 SYS 1137 TIP3 H1 A 0.417000 1.0079 + 3411 SYS 1137 TIP3 H2 A 0.417000 1.0079 + 3412 SYS 1138 TIP3 O1 C -0.834000 15.9994 + 3413 SYS 1138 TIP3 H1 A 0.417000 1.0079 + 3414 SYS 1138 TIP3 H2 A 0.417000 1.0079 + 3415 SYS 1139 TIP3 O1 C -0.834000 15.9994 + 3416 SYS 1139 TIP3 H1 A 0.417000 1.0079 + 3417 SYS 1139 TIP3 H2 A 0.417000 1.0079 + 3418 SYS 1140 TIP3 O1 C -0.834000 15.9994 + 3419 SYS 1140 TIP3 H1 A 0.417000 1.0079 + 3420 SYS 1140 TIP3 H2 A 0.417000 1.0079 + 3421 SYS 1141 TIP3 O1 C -0.834000 15.9994 + 3422 SYS 1141 TIP3 H1 A 0.417000 1.0079 + 3423 SYS 1141 TIP3 H2 A 0.417000 1.0079 + 3424 SYS 1142 TIP3 O1 C -0.834000 15.9994 + 3425 SYS 1142 TIP3 H1 A 0.417000 1.0079 + 3426 SYS 1142 TIP3 H2 A 0.417000 1.0079 + 3427 SYS 1143 TIP3 O1 C -0.834000 15.9994 + 3428 SYS 1143 TIP3 H1 A 0.417000 1.0079 + 3429 SYS 1143 TIP3 H2 A 0.417000 1.0079 + 3430 SYS 1144 TIP3 O1 C -0.834000 15.9994 + 3431 SYS 1144 TIP3 H1 A 0.417000 1.0079 + 3432 SYS 1144 TIP3 H2 A 0.417000 1.0079 + 3433 SYS 1145 TIP3 O1 C -0.834000 15.9994 + 3434 SYS 1145 TIP3 H1 A 0.417000 1.0079 + 3435 SYS 1145 TIP3 H2 A 0.417000 1.0079 + 3436 SYS 1146 TIP3 O1 C -0.834000 15.9994 + 3437 SYS 1146 TIP3 H1 A 0.417000 1.0079 + 3438 SYS 1146 TIP3 H2 A 0.417000 1.0079 + 3439 SYS 1147 TIP3 O1 C -0.834000 15.9994 + 3440 SYS 1147 TIP3 H1 A 0.417000 1.0079 + 3441 SYS 1147 TIP3 H2 A 0.417000 1.0079 + 3442 SYS 1148 TIP3 O1 C -0.834000 15.9994 + 3443 SYS 1148 TIP3 H1 A 0.417000 1.0079 + 3444 SYS 1148 TIP3 H2 A 0.417000 1.0079 + 3445 SYS 1149 TIP3 O1 C -0.834000 15.9994 + 3446 SYS 1149 TIP3 H1 A 0.417000 1.0079 + 3447 SYS 1149 TIP3 H2 A 0.417000 1.0079 + 3448 SYS 1150 TIP3 O1 C -0.834000 15.9994 + 3449 SYS 1150 TIP3 H1 A 0.417000 1.0079 + 3450 SYS 1150 TIP3 H2 A 0.417000 1.0079 + 3451 SYS 1151 TIP3 O1 C -0.834000 15.9994 + 3452 SYS 1151 TIP3 H1 A 0.417000 1.0079 + 3453 SYS 1151 TIP3 H2 A 0.417000 1.0079 + 3454 SYS 1152 TIP3 O1 C -0.834000 15.9994 + 3455 SYS 1152 TIP3 H1 A 0.417000 1.0079 + 3456 SYS 1152 TIP3 H2 A 0.417000 1.0079 + 3457 SYS 1153 TIP3 O1 C -0.834000 15.9994 + 3458 SYS 1153 TIP3 H1 A 0.417000 1.0079 + 3459 SYS 1153 TIP3 H2 A 0.417000 1.0079 + 3460 SYS 1154 TIP3 O1 C -0.834000 15.9994 + 3461 SYS 1154 TIP3 H1 A 0.417000 1.0079 + 3462 SYS 1154 TIP3 H2 A 0.417000 1.0079 + 3463 SYS 1155 TIP3 O1 C -0.834000 15.9994 + 3464 SYS 1155 TIP3 H1 A 0.417000 1.0079 + 3465 SYS 1155 TIP3 H2 A 0.417000 1.0079 + 3466 SYS 1156 TIP3 O1 C -0.834000 15.9994 + 3467 SYS 1156 TIP3 H1 A 0.417000 1.0079 + 3468 SYS 1156 TIP3 H2 A 0.417000 1.0079 + 3469 SYS 1157 TIP3 O1 C -0.834000 15.9994 + 3470 SYS 1157 TIP3 H1 A 0.417000 1.0079 + 3471 SYS 1157 TIP3 H2 A 0.417000 1.0079 + 3472 SYS 1158 TIP3 O1 C -0.834000 15.9994 + 3473 SYS 1158 TIP3 H1 A 0.417000 1.0079 + 3474 SYS 1158 TIP3 H2 A 0.417000 1.0079 + 3475 SYS 1159 TIP3 O1 C -0.834000 15.9994 + 3476 SYS 1159 TIP3 H1 A 0.417000 1.0079 + 3477 SYS 1159 TIP3 H2 A 0.417000 1.0079 + 3478 SYS 1160 TIP3 O1 C -0.834000 15.9994 + 3479 SYS 1160 TIP3 H1 A 0.417000 1.0079 + 3480 SYS 1160 TIP3 H2 A 0.417000 1.0079 + 3481 SYS 1161 TIP3 O1 C -0.834000 15.9994 + 3482 SYS 1161 TIP3 H1 A 0.417000 1.0079 + 3483 SYS 1161 TIP3 H2 A 0.417000 1.0079 + 3484 SYS 1162 TIP3 O1 C -0.834000 15.9994 + 3485 SYS 1162 TIP3 H1 A 0.417000 1.0079 + 3486 SYS 1162 TIP3 H2 A 0.417000 1.0079 + 3487 SYS 1163 TIP3 O1 C -0.834000 15.9994 + 3488 SYS 1163 TIP3 H1 A 0.417000 1.0079 + 3489 SYS 1163 TIP3 H2 A 0.417000 1.0079 + 3490 SYS 1164 TIP3 O1 C -0.834000 15.9994 + 3491 SYS 1164 TIP3 H1 A 0.417000 1.0079 + 3492 SYS 1164 TIP3 H2 A 0.417000 1.0079 + 3493 SYS 1165 TIP3 O1 C -0.834000 15.9994 + 3494 SYS 1165 TIP3 H1 A 0.417000 1.0079 + 3495 SYS 1165 TIP3 H2 A 0.417000 1.0079 + 3496 SYS 1166 TIP3 O1 C -0.834000 15.9994 + 3497 SYS 1166 TIP3 H1 A 0.417000 1.0079 + 3498 SYS 1166 TIP3 H2 A 0.417000 1.0079 + 3499 SYS 1167 TIP3 O1 C -0.834000 15.9994 + 3500 SYS 1167 TIP3 H1 A 0.417000 1.0079 + 3501 SYS 1167 TIP3 H2 A 0.417000 1.0079 + 3502 SYS 1168 TIP3 O1 C -0.834000 15.9994 + 3503 SYS 1168 TIP3 H1 A 0.417000 1.0079 + 3504 SYS 1168 TIP3 H2 A 0.417000 1.0079 + 3505 SYS 1169 TIP3 O1 C -0.834000 15.9994 + 3506 SYS 1169 TIP3 H1 A 0.417000 1.0079 + 3507 SYS 1169 TIP3 H2 A 0.417000 1.0079 + 3508 SYS 1170 TIP3 O1 C -0.834000 15.9994 + 3509 SYS 1170 TIP3 H1 A 0.417000 1.0079 + 3510 SYS 1170 TIP3 H2 A 0.417000 1.0079 + 3511 SYS 1171 TIP3 O1 C -0.834000 15.9994 + 3512 SYS 1171 TIP3 H1 A 0.417000 1.0079 + 3513 SYS 1171 TIP3 H2 A 0.417000 1.0079 + 3514 SYS 1172 TIP3 O1 C -0.834000 15.9994 + 3515 SYS 1172 TIP3 H1 A 0.417000 1.0079 + 3516 SYS 1172 TIP3 H2 A 0.417000 1.0079 + 3517 SYS 1173 TIP3 O1 C -0.834000 15.9994 + 3518 SYS 1173 TIP3 H1 A 0.417000 1.0079 + 3519 SYS 1173 TIP3 H2 A 0.417000 1.0079 + 3520 SYS 1174 TIP3 O1 C -0.834000 15.9994 + 3521 SYS 1174 TIP3 H1 A 0.417000 1.0079 + 3522 SYS 1174 TIP3 H2 A 0.417000 1.0079 + 3523 SYS 1175 TIP3 O1 C -0.834000 15.9994 + 3524 SYS 1175 TIP3 H1 A 0.417000 1.0079 + 3525 SYS 1175 TIP3 H2 A 0.417000 1.0079 + 3526 SYS 1176 TIP3 O1 C -0.834000 15.9994 + 3527 SYS 1176 TIP3 H1 A 0.417000 1.0079 + 3528 SYS 1176 TIP3 H2 A 0.417000 1.0079 + 3529 SYS 1177 TIP3 O1 C -0.834000 15.9994 + 3530 SYS 1177 TIP3 H1 A 0.417000 1.0079 + 3531 SYS 1177 TIP3 H2 A 0.417000 1.0079 + 3532 SYS 1178 TIP3 O1 C -0.834000 15.9994 + 3533 SYS 1178 TIP3 H1 A 0.417000 1.0079 + 3534 SYS 1178 TIP3 H2 A 0.417000 1.0079 + 3535 SYS 1179 TIP3 O1 C -0.834000 15.9994 + 3536 SYS 1179 TIP3 H1 A 0.417000 1.0079 + 3537 SYS 1179 TIP3 H2 A 0.417000 1.0079 + 3538 SYS 1180 TIP3 O1 C -0.834000 15.9994 + 3539 SYS 1180 TIP3 H1 A 0.417000 1.0079 + 3540 SYS 1180 TIP3 H2 A 0.417000 1.0079 + 3541 SYS 1181 TIP3 O1 C -0.834000 15.9994 + 3542 SYS 1181 TIP3 H1 A 0.417000 1.0079 + 3543 SYS 1181 TIP3 H2 A 0.417000 1.0079 + 3544 SYS 1182 TIP3 O1 C -0.834000 15.9994 + 3545 SYS 1182 TIP3 H1 A 0.417000 1.0079 + 3546 SYS 1182 TIP3 H2 A 0.417000 1.0079 + 3547 SYS 1183 TIP3 O1 C -0.834000 15.9994 + 3548 SYS 1183 TIP3 H1 A 0.417000 1.0079 + 3549 SYS 1183 TIP3 H2 A 0.417000 1.0079 + 3550 SYS 1184 TIP3 O1 C -0.834000 15.9994 + 3551 SYS 1184 TIP3 H1 A 0.417000 1.0079 + 3552 SYS 1184 TIP3 H2 A 0.417000 1.0079 + 3553 SYS 1185 TIP3 O1 C -0.834000 15.9994 + 3554 SYS 1185 TIP3 H1 A 0.417000 1.0079 + 3555 SYS 1185 TIP3 H2 A 0.417000 1.0079 + 3556 SYS 1186 TIP3 O1 C -0.834000 15.9994 + 3557 SYS 1186 TIP3 H1 A 0.417000 1.0079 + 3558 SYS 1186 TIP3 H2 A 0.417000 1.0079 + 3559 SYS 1187 TIP3 O1 C -0.834000 15.9994 + 3560 SYS 1187 TIP3 H1 A 0.417000 1.0079 + 3561 SYS 1187 TIP3 H2 A 0.417000 1.0079 + 3562 SYS 1188 TIP3 O1 C -0.834000 15.9994 + 3563 SYS 1188 TIP3 H1 A 0.417000 1.0079 + 3564 SYS 1188 TIP3 H2 A 0.417000 1.0079 + 3565 SYS 1189 TIP3 O1 C -0.834000 15.9994 + 3566 SYS 1189 TIP3 H1 A 0.417000 1.0079 + 3567 SYS 1189 TIP3 H2 A 0.417000 1.0079 + 3568 SYS 1190 TIP3 O1 C -0.834000 15.9994 + 3569 SYS 1190 TIP3 H1 A 0.417000 1.0079 + 3570 SYS 1190 TIP3 H2 A 0.417000 1.0079 + 3571 SYS 1191 TIP3 O1 C -0.834000 15.9994 + 3572 SYS 1191 TIP3 H1 A 0.417000 1.0079 + 3573 SYS 1191 TIP3 H2 A 0.417000 1.0079 + 3574 SYS 1192 TIP3 O1 C -0.834000 15.9994 + 3575 SYS 1192 TIP3 H1 A 0.417000 1.0079 + 3576 SYS 1192 TIP3 H2 A 0.417000 1.0079 + 3577 SYS 1193 TIP3 O1 C -0.834000 15.9994 + 3578 SYS 1193 TIP3 H1 A 0.417000 1.0079 + 3579 SYS 1193 TIP3 H2 A 0.417000 1.0079 + 3580 SYS 1194 TIP3 O1 C -0.834000 15.9994 + 3581 SYS 1194 TIP3 H1 A 0.417000 1.0079 + 3582 SYS 1194 TIP3 H2 A 0.417000 1.0079 + 3583 SYS 1195 TIP3 O1 C -0.834000 15.9994 + 3584 SYS 1195 TIP3 H1 A 0.417000 1.0079 + 3585 SYS 1195 TIP3 H2 A 0.417000 1.0079 + 3586 SYS 1196 TIP3 O1 C -0.834000 15.9994 + 3587 SYS 1196 TIP3 H1 A 0.417000 1.0079 + 3588 SYS 1196 TIP3 H2 A 0.417000 1.0079 + 3589 SYS 1197 TIP3 O1 C -0.834000 15.9994 + 3590 SYS 1197 TIP3 H1 A 0.417000 1.0079 + 3591 SYS 1197 TIP3 H2 A 0.417000 1.0079 + 3592 SYS 1198 TIP3 O1 C -0.834000 15.9994 + 3593 SYS 1198 TIP3 H1 A 0.417000 1.0079 + 3594 SYS 1198 TIP3 H2 A 0.417000 1.0079 + 3595 SYS 1199 TIP3 O1 C -0.834000 15.9994 + 3596 SYS 1199 TIP3 H1 A 0.417000 1.0079 + 3597 SYS 1199 TIP3 H2 A 0.417000 1.0079 + 3598 SYS 1200 TIP3 O1 C -0.834000 15.9994 + 3599 SYS 1200 TIP3 H1 A 0.417000 1.0079 + 3600 SYS 1200 TIP3 H2 A 0.417000 1.0079 + 3601 SYS 1201 TIP3 O1 C -0.834000 15.9994 + 3602 SYS 1201 TIP3 H1 A 0.417000 1.0079 + 3603 SYS 1201 TIP3 H2 A 0.417000 1.0079 + 3604 SYS 1202 TIP3 O1 C -0.834000 15.9994 + 3605 SYS 1202 TIP3 H1 A 0.417000 1.0079 + 3606 SYS 1202 TIP3 H2 A 0.417000 1.0079 + 3607 SYS 1203 TIP3 O1 C -0.834000 15.9994 + 3608 SYS 1203 TIP3 H1 A 0.417000 1.0079 + 3609 SYS 1203 TIP3 H2 A 0.417000 1.0079 + 3610 SYS 1204 TIP3 O1 C -0.834000 15.9994 + 3611 SYS 1204 TIP3 H1 A 0.417000 1.0079 + 3612 SYS 1204 TIP3 H2 A 0.417000 1.0079 + 3613 SYS 1205 TIP3 O1 C -0.834000 15.9994 + 3614 SYS 1205 TIP3 H1 A 0.417000 1.0079 + 3615 SYS 1205 TIP3 H2 A 0.417000 1.0079 + 3616 SYS 1206 TIP3 O1 C -0.834000 15.9994 + 3617 SYS 1206 TIP3 H1 A 0.417000 1.0079 + 3618 SYS 1206 TIP3 H2 A 0.417000 1.0079 + 3619 SYS 1207 TIP3 O1 C -0.834000 15.9994 + 3620 SYS 1207 TIP3 H1 A 0.417000 1.0079 + 3621 SYS 1207 TIP3 H2 A 0.417000 1.0079 + 3622 SYS 1208 TIP3 O1 C -0.834000 15.9994 + 3623 SYS 1208 TIP3 H1 A 0.417000 1.0079 + 3624 SYS 1208 TIP3 H2 A 0.417000 1.0079 + 3625 SYS 1209 TIP3 O1 C -0.834000 15.9994 + 3626 SYS 1209 TIP3 H1 A 0.417000 1.0079 + 3627 SYS 1209 TIP3 H2 A 0.417000 1.0079 + 3628 SYS 1210 TIP3 O1 C -0.834000 15.9994 + 3629 SYS 1210 TIP3 H1 A 0.417000 1.0079 + 3630 SYS 1210 TIP3 H2 A 0.417000 1.0079 + 3631 SYS 1211 TIP3 O1 C -0.834000 15.9994 + 3632 SYS 1211 TIP3 H1 A 0.417000 1.0079 + 3633 SYS 1211 TIP3 H2 A 0.417000 1.0079 + 3634 SYS 1212 TIP3 O1 C -0.834000 15.9994 + 3635 SYS 1212 TIP3 H1 A 0.417000 1.0079 + 3636 SYS 1212 TIP3 H2 A 0.417000 1.0079 + 3637 SYS 1213 TIP3 O1 C -0.834000 15.9994 + 3638 SYS 1213 TIP3 H1 A 0.417000 1.0079 + 3639 SYS 1213 TIP3 H2 A 0.417000 1.0079 + 3640 SYS 1214 TIP3 O1 C -0.834000 15.9994 + 3641 SYS 1214 TIP3 H1 A 0.417000 1.0079 + 3642 SYS 1214 TIP3 H2 A 0.417000 1.0079 + 3643 SYS 1215 TIP3 O1 C -0.834000 15.9994 + 3644 SYS 1215 TIP3 H1 A 0.417000 1.0079 + 3645 SYS 1215 TIP3 H2 A 0.417000 1.0079 + 3646 SYS 1216 TIP3 O1 C -0.834000 15.9994 + 3647 SYS 1216 TIP3 H1 A 0.417000 1.0079 + 3648 SYS 1216 TIP3 H2 A 0.417000 1.0079 + 3649 SYS 1217 TIP3 O1 C -0.834000 15.9994 + 3650 SYS 1217 TIP3 H1 A 0.417000 1.0079 + 3651 SYS 1217 TIP3 H2 A 0.417000 1.0079 + 3652 SYS 1218 TIP3 O1 C -0.834000 15.9994 + 3653 SYS 1218 TIP3 H1 A 0.417000 1.0079 + 3654 SYS 1218 TIP3 H2 A 0.417000 1.0079 + 3655 SYS 1219 TIP3 O1 C -0.834000 15.9994 + 3656 SYS 1219 TIP3 H1 A 0.417000 1.0079 + 3657 SYS 1219 TIP3 H2 A 0.417000 1.0079 + 3658 SYS 1220 TIP3 O1 C -0.834000 15.9994 + 3659 SYS 1220 TIP3 H1 A 0.417000 1.0079 + 3660 SYS 1220 TIP3 H2 A 0.417000 1.0079 + 3661 SYS 1221 TIP3 O1 C -0.834000 15.9994 + 3662 SYS 1221 TIP3 H1 A 0.417000 1.0079 + 3663 SYS 1221 TIP3 H2 A 0.417000 1.0079 + 3664 SYS 1222 TIP3 O1 C -0.834000 15.9994 + 3665 SYS 1222 TIP3 H1 A 0.417000 1.0079 + 3666 SYS 1222 TIP3 H2 A 0.417000 1.0079 + 3667 SYS 1223 TIP3 O1 C -0.834000 15.9994 + 3668 SYS 1223 TIP3 H1 A 0.417000 1.0079 + 3669 SYS 1223 TIP3 H2 A 0.417000 1.0079 + 3670 SYS 1224 TIP3 O1 C -0.834000 15.9994 + 3671 SYS 1224 TIP3 H1 A 0.417000 1.0079 + 3672 SYS 1224 TIP3 H2 A 0.417000 1.0079 + 3673 SYS 1225 TIP3 O1 C -0.834000 15.9994 + 3674 SYS 1225 TIP3 H1 A 0.417000 1.0079 + 3675 SYS 1225 TIP3 H2 A 0.417000 1.0079 + 3676 SYS 1226 TIP3 O1 C -0.834000 15.9994 + 3677 SYS 1226 TIP3 H1 A 0.417000 1.0079 + 3678 SYS 1226 TIP3 H2 A 0.417000 1.0079 + 3679 SYS 1227 TIP3 O1 C -0.834000 15.9994 + 3680 SYS 1227 TIP3 H1 A 0.417000 1.0079 + 3681 SYS 1227 TIP3 H2 A 0.417000 1.0079 + 3682 SYS 1228 TIP3 O1 C -0.834000 15.9994 + 3683 SYS 1228 TIP3 H1 A 0.417000 1.0079 + 3684 SYS 1228 TIP3 H2 A 0.417000 1.0079 + 3685 SYS 1229 TIP3 O1 C -0.834000 15.9994 + 3686 SYS 1229 TIP3 H1 A 0.417000 1.0079 + 3687 SYS 1229 TIP3 H2 A 0.417000 1.0079 + 3688 SYS 1230 TIP3 O1 C -0.834000 15.9994 + 3689 SYS 1230 TIP3 H1 A 0.417000 1.0079 + 3690 SYS 1230 TIP3 H2 A 0.417000 1.0079 + 3691 SYS 1231 TIP3 O1 C -0.834000 15.9994 + 3692 SYS 1231 TIP3 H1 A 0.417000 1.0079 + 3693 SYS 1231 TIP3 H2 A 0.417000 1.0079 + 3694 SYS 1232 TIP3 O1 C -0.834000 15.9994 + 3695 SYS 1232 TIP3 H1 A 0.417000 1.0079 + 3696 SYS 1232 TIP3 H2 A 0.417000 1.0079 + 3697 SYS 1233 TIP3 O1 C -0.834000 15.9994 + 3698 SYS 1233 TIP3 H1 A 0.417000 1.0079 + 3699 SYS 1233 TIP3 H2 A 0.417000 1.0079 + 3700 SYS 1234 TIP3 O1 C -0.834000 15.9994 + 3701 SYS 1234 TIP3 H1 A 0.417000 1.0079 + 3702 SYS 1234 TIP3 H2 A 0.417000 1.0079 + 3703 SYS 1235 TIP3 O1 C -0.834000 15.9994 + 3704 SYS 1235 TIP3 H1 A 0.417000 1.0079 + 3705 SYS 1235 TIP3 H2 A 0.417000 1.0079 + 3706 SYS 1236 TIP3 O1 C -0.834000 15.9994 + 3707 SYS 1236 TIP3 H1 A 0.417000 1.0079 + 3708 SYS 1236 TIP3 H2 A 0.417000 1.0079 + 3709 SYS 1237 TIP3 O1 C -0.834000 15.9994 + 3710 SYS 1237 TIP3 H1 A 0.417000 1.0079 + 3711 SYS 1237 TIP3 H2 A 0.417000 1.0079 + 3712 SYS 1238 TIP3 O1 C -0.834000 15.9994 + 3713 SYS 1238 TIP3 H1 A 0.417000 1.0079 + 3714 SYS 1238 TIP3 H2 A 0.417000 1.0079 + 3715 SYS 1239 TIP3 O1 C -0.834000 15.9994 + 3716 SYS 1239 TIP3 H1 A 0.417000 1.0079 + 3717 SYS 1239 TIP3 H2 A 0.417000 1.0079 + 3718 SYS 1240 TIP3 O1 C -0.834000 15.9994 + 3719 SYS 1240 TIP3 H1 A 0.417000 1.0079 + 3720 SYS 1240 TIP3 H2 A 0.417000 1.0079 + 3721 SYS 1241 TIP3 O1 C -0.834000 15.9994 + 3722 SYS 1241 TIP3 H1 A 0.417000 1.0079 + 3723 SYS 1241 TIP3 H2 A 0.417000 1.0079 + 3724 SYS 1242 TIP3 O1 C -0.834000 15.9994 + 3725 SYS 1242 TIP3 H1 A 0.417000 1.0079 + 3726 SYS 1242 TIP3 H2 A 0.417000 1.0079 + 3727 SYS 1243 TIP3 O1 C -0.834000 15.9994 + 3728 SYS 1243 TIP3 H1 A 0.417000 1.0079 + 3729 SYS 1243 TIP3 H2 A 0.417000 1.0079 + 3730 SYS 1244 TIP3 O1 C -0.834000 15.9994 + 3731 SYS 1244 TIP3 H1 A 0.417000 1.0079 + 3732 SYS 1244 TIP3 H2 A 0.417000 1.0079 + 3733 SYS 1245 TIP3 O1 C -0.834000 15.9994 + 3734 SYS 1245 TIP3 H1 A 0.417000 1.0079 + 3735 SYS 1245 TIP3 H2 A 0.417000 1.0079 + 3736 SYS 1246 TIP3 O1 C -0.834000 15.9994 + 3737 SYS 1246 TIP3 H1 A 0.417000 1.0079 + 3738 SYS 1246 TIP3 H2 A 0.417000 1.0079 + 3739 SYS 1247 TIP3 O1 C -0.834000 15.9994 + 3740 SYS 1247 TIP3 H1 A 0.417000 1.0079 + 3741 SYS 1247 TIP3 H2 A 0.417000 1.0079 + 3742 SYS 1248 TIP3 O1 C -0.834000 15.9994 + 3743 SYS 1248 TIP3 H1 A 0.417000 1.0079 + 3744 SYS 1248 TIP3 H2 A 0.417000 1.0079 + 3745 SYS 1249 TIP3 O1 C -0.834000 15.9994 + 3746 SYS 1249 TIP3 H1 A 0.417000 1.0079 + 3747 SYS 1249 TIP3 H2 A 0.417000 1.0079 + 3748 SYS 1250 TIP3 O1 C -0.834000 15.9994 + 3749 SYS 1250 TIP3 H1 A 0.417000 1.0079 + 3750 SYS 1250 TIP3 H2 A 0.417000 1.0079 + 3751 SYS 1251 TIP3 O1 C -0.834000 15.9994 + 3752 SYS 1251 TIP3 H1 A 0.417000 1.0079 + 3753 SYS 1251 TIP3 H2 A 0.417000 1.0079 + 3754 SYS 1252 TIP3 O1 C -0.834000 15.9994 + 3755 SYS 1252 TIP3 H1 A 0.417000 1.0079 + 3756 SYS 1252 TIP3 H2 A 0.417000 1.0079 + 3757 SYS 1253 TIP3 O1 C -0.834000 15.9994 + 3758 SYS 1253 TIP3 H1 A 0.417000 1.0079 + 3759 SYS 1253 TIP3 H2 A 0.417000 1.0079 + 3760 SYS 1254 TIP3 O1 C -0.834000 15.9994 + 3761 SYS 1254 TIP3 H1 A 0.417000 1.0079 + 3762 SYS 1254 TIP3 H2 A 0.417000 1.0079 + 3763 SYS 1255 TIP3 O1 C -0.834000 15.9994 + 3764 SYS 1255 TIP3 H1 A 0.417000 1.0079 + 3765 SYS 1255 TIP3 H2 A 0.417000 1.0079 + 3766 SYS 1256 TIP3 O1 C -0.834000 15.9994 + 3767 SYS 1256 TIP3 H1 A 0.417000 1.0079 + 3768 SYS 1256 TIP3 H2 A 0.417000 1.0079 + 3769 SYS 1257 TIP3 O1 C -0.834000 15.9994 + 3770 SYS 1257 TIP3 H1 A 0.417000 1.0079 + 3771 SYS 1257 TIP3 H2 A 0.417000 1.0079 + 3772 SYS 1258 TIP3 O1 C -0.834000 15.9994 + 3773 SYS 1258 TIP3 H1 A 0.417000 1.0079 + 3774 SYS 1258 TIP3 H2 A 0.417000 1.0079 + 3775 SYS 1259 TIP3 O1 C -0.834000 15.9994 + 3776 SYS 1259 TIP3 H1 A 0.417000 1.0079 + 3777 SYS 1259 TIP3 H2 A 0.417000 1.0079 + 3778 SYS 1260 TIP3 O1 C -0.834000 15.9994 + 3779 SYS 1260 TIP3 H1 A 0.417000 1.0079 + 3780 SYS 1260 TIP3 H2 A 0.417000 1.0079 + 3781 SYS 1261 TIP3 O1 C -0.834000 15.9994 + 3782 SYS 1261 TIP3 H1 A 0.417000 1.0079 + 3783 SYS 1261 TIP3 H2 A 0.417000 1.0079 + 3784 SYS 1262 TIP3 O1 C -0.834000 15.9994 + 3785 SYS 1262 TIP3 H1 A 0.417000 1.0079 + 3786 SYS 1262 TIP3 H2 A 0.417000 1.0079 + 3787 SYS 1263 TIP3 O1 C -0.834000 15.9994 + 3788 SYS 1263 TIP3 H1 A 0.417000 1.0079 + 3789 SYS 1263 TIP3 H2 A 0.417000 1.0079 + 3790 SYS 1264 TIP3 O1 C -0.834000 15.9994 + 3791 SYS 1264 TIP3 H1 A 0.417000 1.0079 + 3792 SYS 1264 TIP3 H2 A 0.417000 1.0079 + 3793 SYS 1265 TIP3 O1 C -0.834000 15.9994 + 3794 SYS 1265 TIP3 H1 A 0.417000 1.0079 + 3795 SYS 1265 TIP3 H2 A 0.417000 1.0079 + 3796 SYS 1266 TIP3 O1 C -0.834000 15.9994 + 3797 SYS 1266 TIP3 H1 A 0.417000 1.0079 + 3798 SYS 1266 TIP3 H2 A 0.417000 1.0079 + 3799 SYS 1267 TIP3 O1 C -0.834000 15.9994 + 3800 SYS 1267 TIP3 H1 A 0.417000 1.0079 + 3801 SYS 1267 TIP3 H2 A 0.417000 1.0079 + 3802 SYS 1268 TIP3 O1 C -0.834000 15.9994 + 3803 SYS 1268 TIP3 H1 A 0.417000 1.0079 + 3804 SYS 1268 TIP3 H2 A 0.417000 1.0079 + 3805 SYS 1269 TIP3 O1 C -0.834000 15.9994 + 3806 SYS 1269 TIP3 H1 A 0.417000 1.0079 + 3807 SYS 1269 TIP3 H2 A 0.417000 1.0079 + 3808 SYS 1270 TIP3 O1 C -0.834000 15.9994 + 3809 SYS 1270 TIP3 H1 A 0.417000 1.0079 + 3810 SYS 1270 TIP3 H2 A 0.417000 1.0079 + 3811 SYS 1271 TIP3 O1 C -0.834000 15.9994 + 3812 SYS 1271 TIP3 H1 A 0.417000 1.0079 + 3813 SYS 1271 TIP3 H2 A 0.417000 1.0079 + 3814 SYS 1272 TIP3 O1 C -0.834000 15.9994 + 3815 SYS 1272 TIP3 H1 A 0.417000 1.0079 + 3816 SYS 1272 TIP3 H2 A 0.417000 1.0079 + 3817 SYS 1273 TIP3 O1 C -0.834000 15.9994 + 3818 SYS 1273 TIP3 H1 A 0.417000 1.0079 + 3819 SYS 1273 TIP3 H2 A 0.417000 1.0079 + 3820 SYS 1274 TIP3 O1 C -0.834000 15.9994 + 3821 SYS 1274 TIP3 H1 A 0.417000 1.0079 + 3822 SYS 1274 TIP3 H2 A 0.417000 1.0079 + 3823 SYS 1275 TIP3 O1 C -0.834000 15.9994 + 3824 SYS 1275 TIP3 H1 A 0.417000 1.0079 + 3825 SYS 1275 TIP3 H2 A 0.417000 1.0079 + 3826 SYS 1276 TIP3 O1 C -0.834000 15.9994 + 3827 SYS 1276 TIP3 H1 A 0.417000 1.0079 + 3828 SYS 1276 TIP3 H2 A 0.417000 1.0079 + 3829 SYS 1277 TIP3 O1 C -0.834000 15.9994 + 3830 SYS 1277 TIP3 H1 A 0.417000 1.0079 + 3831 SYS 1277 TIP3 H2 A 0.417000 1.0079 + 3832 SYS 1278 TIP3 O1 C -0.834000 15.9994 + 3833 SYS 1278 TIP3 H1 A 0.417000 1.0079 + 3834 SYS 1278 TIP3 H2 A 0.417000 1.0079 + 3835 SYS 1279 TIP3 O1 C -0.834000 15.9994 + 3836 SYS 1279 TIP3 H1 A 0.417000 1.0079 + 3837 SYS 1279 TIP3 H2 A 0.417000 1.0079 + 3838 SYS 1280 TIP3 O1 C -0.834000 15.9994 + 3839 SYS 1280 TIP3 H1 A 0.417000 1.0079 + 3840 SYS 1280 TIP3 H2 A 0.417000 1.0079 + 3841 SYS 1281 TIP3 O1 C -0.834000 15.9994 + 3842 SYS 1281 TIP3 H1 A 0.417000 1.0079 + 3843 SYS 1281 TIP3 H2 A 0.417000 1.0079 + 3844 SYS 1282 TIP3 O1 C -0.834000 15.9994 + 3845 SYS 1282 TIP3 H1 A 0.417000 1.0079 + 3846 SYS 1282 TIP3 H2 A 0.417000 1.0079 + 3847 SYS 1283 TIP3 O1 C -0.834000 15.9994 + 3848 SYS 1283 TIP3 H1 A 0.417000 1.0079 + 3849 SYS 1283 TIP3 H2 A 0.417000 1.0079 + 3850 SYS 1284 TIP3 O1 C -0.834000 15.9994 + 3851 SYS 1284 TIP3 H1 A 0.417000 1.0079 + 3852 SYS 1284 TIP3 H2 A 0.417000 1.0079 + 3853 SYS 1285 TIP3 O1 C -0.834000 15.9994 + 3854 SYS 1285 TIP3 H1 A 0.417000 1.0079 + 3855 SYS 1285 TIP3 H2 A 0.417000 1.0079 + 3856 SYS 1286 TIP3 O1 C -0.834000 15.9994 + 3857 SYS 1286 TIP3 H1 A 0.417000 1.0079 + 3858 SYS 1286 TIP3 H2 A 0.417000 1.0079 + 3859 SYS 1287 TIP3 O1 C -0.834000 15.9994 + 3860 SYS 1287 TIP3 H1 A 0.417000 1.0079 + 3861 SYS 1287 TIP3 H2 A 0.417000 1.0079 + 3862 SYS 1288 TIP3 O1 C -0.834000 15.9994 + 3863 SYS 1288 TIP3 H1 A 0.417000 1.0079 + 3864 SYS 1288 TIP3 H2 A 0.417000 1.0079 + 3865 SYS 1289 TIP3 O1 C -0.834000 15.9994 + 3866 SYS 1289 TIP3 H1 A 0.417000 1.0079 + 3867 SYS 1289 TIP3 H2 A 0.417000 1.0079 + 3868 SYS 1290 TIP3 O1 C -0.834000 15.9994 + 3869 SYS 1290 TIP3 H1 A 0.417000 1.0079 + 3870 SYS 1290 TIP3 H2 A 0.417000 1.0079 + 3871 SYS 1291 TIP3 O1 C -0.834000 15.9994 + 3872 SYS 1291 TIP3 H1 A 0.417000 1.0079 + 3873 SYS 1291 TIP3 H2 A 0.417000 1.0079 + 3874 SYS 1292 TIP3 O1 C -0.834000 15.9994 + 3875 SYS 1292 TIP3 H1 A 0.417000 1.0079 + 3876 SYS 1292 TIP3 H2 A 0.417000 1.0079 + 3877 SYS 1293 TIP3 O1 C -0.834000 15.9994 + 3878 SYS 1293 TIP3 H1 A 0.417000 1.0079 + 3879 SYS 1293 TIP3 H2 A 0.417000 1.0079 + 3880 SYS 1294 TIP3 O1 C -0.834000 15.9994 + 3881 SYS 1294 TIP3 H1 A 0.417000 1.0079 + 3882 SYS 1294 TIP3 H2 A 0.417000 1.0079 + 3883 SYS 1295 TIP3 O1 C -0.834000 15.9994 + 3884 SYS 1295 TIP3 H1 A 0.417000 1.0079 + 3885 SYS 1295 TIP3 H2 A 0.417000 1.0079 + 3886 SYS 1296 TIP3 O1 C -0.834000 15.9994 + 3887 SYS 1296 TIP3 H1 A 0.417000 1.0079 + 3888 SYS 1296 TIP3 H2 A 0.417000 1.0079 + 3889 SYS 1297 TIP3 O1 C -0.834000 15.9994 + 3890 SYS 1297 TIP3 H1 A 0.417000 1.0079 + 3891 SYS 1297 TIP3 H2 A 0.417000 1.0079 + 3892 SYS 1298 TIP3 O1 C -0.834000 15.9994 + 3893 SYS 1298 TIP3 H1 A 0.417000 1.0079 + 3894 SYS 1298 TIP3 H2 A 0.417000 1.0079 + 3895 SYS 1299 TIP3 O1 C -0.834000 15.9994 + 3896 SYS 1299 TIP3 H1 A 0.417000 1.0079 + 3897 SYS 1299 TIP3 H2 A 0.417000 1.0079 + 3898 SYS 1300 TIP3 O1 C -0.834000 15.9994 + 3899 SYS 1300 TIP3 H1 A 0.417000 1.0079 + 3900 SYS 1300 TIP3 H2 A 0.417000 1.0079 + 3901 SYS 1301 TIP3 O1 C -0.834000 15.9994 + 3902 SYS 1301 TIP3 H1 A 0.417000 1.0079 + 3903 SYS 1301 TIP3 H2 A 0.417000 1.0079 + 3904 SYS 1302 TIP3 O1 C -0.834000 15.9994 + 3905 SYS 1302 TIP3 H1 A 0.417000 1.0079 + 3906 SYS 1302 TIP3 H2 A 0.417000 1.0079 + 3907 SYS 1303 TIP3 O1 C -0.834000 15.9994 + 3908 SYS 1303 TIP3 H1 A 0.417000 1.0079 + 3909 SYS 1303 TIP3 H2 A 0.417000 1.0079 + 3910 SYS 1304 TIP3 O1 C -0.834000 15.9994 + 3911 SYS 1304 TIP3 H1 A 0.417000 1.0079 + 3912 SYS 1304 TIP3 H2 A 0.417000 1.0079 + 3913 SYS 1305 TIP3 O1 C -0.834000 15.9994 + 3914 SYS 1305 TIP3 H1 A 0.417000 1.0079 + 3915 SYS 1305 TIP3 H2 A 0.417000 1.0079 + 3916 SYS 1306 TIP3 O1 C -0.834000 15.9994 + 3917 SYS 1306 TIP3 H1 A 0.417000 1.0079 + 3918 SYS 1306 TIP3 H2 A 0.417000 1.0079 + 3919 SYS 1307 TIP3 O1 C -0.834000 15.9994 + 3920 SYS 1307 TIP3 H1 A 0.417000 1.0079 + 3921 SYS 1307 TIP3 H2 A 0.417000 1.0079 + 3922 SYS 1308 TIP3 O1 C -0.834000 15.9994 + 3923 SYS 1308 TIP3 H1 A 0.417000 1.0079 + 3924 SYS 1308 TIP3 H2 A 0.417000 1.0079 + 3925 SYS 1309 TIP3 O1 C -0.834000 15.9994 + 3926 SYS 1309 TIP3 H1 A 0.417000 1.0079 + 3927 SYS 1309 TIP3 H2 A 0.417000 1.0079 + 3928 SYS 1310 TIP3 O1 C -0.834000 15.9994 + 3929 SYS 1310 TIP3 H1 A 0.417000 1.0079 + 3930 SYS 1310 TIP3 H2 A 0.417000 1.0079 + 3931 SYS 1311 TIP3 O1 C -0.834000 15.9994 + 3932 SYS 1311 TIP3 H1 A 0.417000 1.0079 + 3933 SYS 1311 TIP3 H2 A 0.417000 1.0079 + 3934 SYS 1312 TIP3 O1 C -0.834000 15.9994 + 3935 SYS 1312 TIP3 H1 A 0.417000 1.0079 + 3936 SYS 1312 TIP3 H2 A 0.417000 1.0079 + 3937 SYS 1313 TIP3 O1 C -0.834000 15.9994 + 3938 SYS 1313 TIP3 H1 A 0.417000 1.0079 + 3939 SYS 1313 TIP3 H2 A 0.417000 1.0079 + 3940 SYS 1314 TIP3 O1 C -0.834000 15.9994 + 3941 SYS 1314 TIP3 H1 A 0.417000 1.0079 + 3942 SYS 1314 TIP3 H2 A 0.417000 1.0079 + 3943 SYS 1315 TIP3 O1 C -0.834000 15.9994 + 3944 SYS 1315 TIP3 H1 A 0.417000 1.0079 + 3945 SYS 1315 TIP3 H2 A 0.417000 1.0079 + 3946 SYS 1316 TIP3 O1 C -0.834000 15.9994 + 3947 SYS 1316 TIP3 H1 A 0.417000 1.0079 + 3948 SYS 1316 TIP3 H2 A 0.417000 1.0079 + 3949 SYS 1317 TIP3 O1 C -0.834000 15.9994 + 3950 SYS 1317 TIP3 H1 A 0.417000 1.0079 + 3951 SYS 1317 TIP3 H2 A 0.417000 1.0079 + 3952 SYS 1318 TIP3 O1 C -0.834000 15.9994 + 3953 SYS 1318 TIP3 H1 A 0.417000 1.0079 + 3954 SYS 1318 TIP3 H2 A 0.417000 1.0079 + 3955 SYS 1319 TIP3 O1 C -0.834000 15.9994 + 3956 SYS 1319 TIP3 H1 A 0.417000 1.0079 + 3957 SYS 1319 TIP3 H2 A 0.417000 1.0079 + 3958 SYS 1320 TIP3 O1 C -0.834000 15.9994 + 3959 SYS 1320 TIP3 H1 A 0.417000 1.0079 + 3960 SYS 1320 TIP3 H2 A 0.417000 1.0079 + 3961 SYS 1321 TIP3 O1 C -0.834000 15.9994 + 3962 SYS 1321 TIP3 H1 A 0.417000 1.0079 + 3963 SYS 1321 TIP3 H2 A 0.417000 1.0079 + 3964 SYS 1322 TIP3 O1 C -0.834000 15.9994 + 3965 SYS 1322 TIP3 H1 A 0.417000 1.0079 + 3966 SYS 1322 TIP3 H2 A 0.417000 1.0079 + 3967 SYS 1323 TIP3 O1 C -0.834000 15.9994 + 3968 SYS 1323 TIP3 H1 A 0.417000 1.0079 + 3969 SYS 1323 TIP3 H2 A 0.417000 1.0079 + 3970 SYS 1324 TIP3 O1 C -0.834000 15.9994 + 3971 SYS 1324 TIP3 H1 A 0.417000 1.0079 + 3972 SYS 1324 TIP3 H2 A 0.417000 1.0079 + 3973 SYS 1325 TIP3 O1 C -0.834000 15.9994 + 3974 SYS 1325 TIP3 H1 A 0.417000 1.0079 + 3975 SYS 1325 TIP3 H2 A 0.417000 1.0079 + 3976 SYS 1326 TIP3 O1 C -0.834000 15.9994 + 3977 SYS 1326 TIP3 H1 A 0.417000 1.0079 + 3978 SYS 1326 TIP3 H2 A 0.417000 1.0079 + 3979 SYS 1327 TIP3 O1 C -0.834000 15.9994 + 3980 SYS 1327 TIP3 H1 A 0.417000 1.0079 + 3981 SYS 1327 TIP3 H2 A 0.417000 1.0079 + 3982 SYS 1328 TIP3 O1 C -0.834000 15.9994 + 3983 SYS 1328 TIP3 H1 A 0.417000 1.0079 + 3984 SYS 1328 TIP3 H2 A 0.417000 1.0079 + 3985 SYS 1329 TIP3 O1 C -0.834000 15.9994 + 3986 SYS 1329 TIP3 H1 A 0.417000 1.0079 + 3987 SYS 1329 TIP3 H2 A 0.417000 1.0079 + 3988 SYS 1330 TIP3 O1 C -0.834000 15.9994 + 3989 SYS 1330 TIP3 H1 A 0.417000 1.0079 + 3990 SYS 1330 TIP3 H2 A 0.417000 1.0079 + 3991 SYS 1331 TIP3 O1 C -0.834000 15.9994 + 3992 SYS 1331 TIP3 H1 A 0.417000 1.0079 + 3993 SYS 1331 TIP3 H2 A 0.417000 1.0079 + 3994 SYS 1332 TIP3 O1 C -0.834000 15.9994 + 3995 SYS 1332 TIP3 H1 A 0.417000 1.0079 + 3996 SYS 1332 TIP3 H2 A 0.417000 1.0079 + 3997 SYS 1333 TIP3 O1 C -0.834000 15.9994 + 3998 SYS 1333 TIP3 H1 A 0.417000 1.0079 + 3999 SYS 1333 TIP3 H2 A 0.417000 1.0079 + 4000 SYS 1334 TIP3 O1 C -0.834000 15.9994 + 4001 SYS 1334 TIP3 H1 A 0.417000 1.0079 + 4002 SYS 1334 TIP3 H2 A 0.417000 1.0079 + 4003 SYS 1335 TIP3 O1 C -0.834000 15.9994 + 4004 SYS 1335 TIP3 H1 A 0.417000 1.0079 + 4005 SYS 1335 TIP3 H2 A 0.417000 1.0079 + 4006 SYS 1336 TIP3 O1 C -0.834000 15.9994 + 4007 SYS 1336 TIP3 H1 A 0.417000 1.0079 + 4008 SYS 1336 TIP3 H2 A 0.417000 1.0079 + 4009 SYS 1337 TIP3 O1 C -0.834000 15.9994 + 4010 SYS 1337 TIP3 H1 A 0.417000 1.0079 + 4011 SYS 1337 TIP3 H2 A 0.417000 1.0079 + 4012 SYS 1338 TIP3 O1 C -0.834000 15.9994 + 4013 SYS 1338 TIP3 H1 A 0.417000 1.0079 + 4014 SYS 1338 TIP3 H2 A 0.417000 1.0079 + 4015 SYS 1339 TIP3 O1 C -0.834000 15.9994 + 4016 SYS 1339 TIP3 H1 A 0.417000 1.0079 + 4017 SYS 1339 TIP3 H2 A 0.417000 1.0079 + 4018 SYS 1340 TIP3 O1 C -0.834000 15.9994 + 4019 SYS 1340 TIP3 H1 A 0.417000 1.0079 + 4020 SYS 1340 TIP3 H2 A 0.417000 1.0079 + 4021 SYS 1341 TIP3 O1 C -0.834000 15.9994 + 4022 SYS 1341 TIP3 H1 A 0.417000 1.0079 + 4023 SYS 1341 TIP3 H2 A 0.417000 1.0079 + 4024 SYS 1342 TIP3 O1 C -0.834000 15.9994 + 4025 SYS 1342 TIP3 H1 A 0.417000 1.0079 + 4026 SYS 1342 TIP3 H2 A 0.417000 1.0079 + 4027 SYS 1343 TIP3 O1 C -0.834000 15.9994 + 4028 SYS 1343 TIP3 H1 A 0.417000 1.0079 + 4029 SYS 1343 TIP3 H2 A 0.417000 1.0079 + 4030 SYS 1344 TIP3 O1 C -0.834000 15.9994 + 4031 SYS 1344 TIP3 H1 A 0.417000 1.0079 + 4032 SYS 1344 TIP3 H2 A 0.417000 1.0079 + 4033 SYS 1345 TIP3 O1 C -0.834000 15.9994 + 4034 SYS 1345 TIP3 H1 A 0.417000 1.0079 + 4035 SYS 1345 TIP3 H2 A 0.417000 1.0079 + 4036 SYS 1346 TIP3 O1 C -0.834000 15.9994 + 4037 SYS 1346 TIP3 H1 A 0.417000 1.0079 + 4038 SYS 1346 TIP3 H2 A 0.417000 1.0079 + 4039 SYS 1347 TIP3 O1 C -0.834000 15.9994 + 4040 SYS 1347 TIP3 H1 A 0.417000 1.0079 + 4041 SYS 1347 TIP3 H2 A 0.417000 1.0079 + 4042 SYS 1348 TIP3 O1 C -0.834000 15.9994 + 4043 SYS 1348 TIP3 H1 A 0.417000 1.0079 + 4044 SYS 1348 TIP3 H2 A 0.417000 1.0079 + 4045 SYS 1349 TIP3 O1 C -0.834000 15.9994 + 4046 SYS 1349 TIP3 H1 A 0.417000 1.0079 + 4047 SYS 1349 TIP3 H2 A 0.417000 1.0079 + 4048 SYS 1350 TIP3 O1 C -0.834000 15.9994 + 4049 SYS 1350 TIP3 H1 A 0.417000 1.0079 + 4050 SYS 1350 TIP3 H2 A 0.417000 1.0079 + 4051 SYS 1351 TIP3 O1 C -0.834000 15.9994 + 4052 SYS 1351 TIP3 H1 A 0.417000 1.0079 + 4053 SYS 1351 TIP3 H2 A 0.417000 1.0079 + 4054 SYS 1352 TIP3 O1 C -0.834000 15.9994 + 4055 SYS 1352 TIP3 H1 A 0.417000 1.0079 + 4056 SYS 1352 TIP3 H2 A 0.417000 1.0079 + 4057 SYS 1353 TIP3 O1 C -0.834000 15.9994 + 4058 SYS 1353 TIP3 H1 A 0.417000 1.0079 + 4059 SYS 1353 TIP3 H2 A 0.417000 1.0079 + 4060 SYS 1354 TIP3 O1 C -0.834000 15.9994 + 4061 SYS 1354 TIP3 H1 A 0.417000 1.0079 + 4062 SYS 1354 TIP3 H2 A 0.417000 1.0079 + 4063 SYS 1355 TIP3 O1 C -0.834000 15.9994 + 4064 SYS 1355 TIP3 H1 A 0.417000 1.0079 + 4065 SYS 1355 TIP3 H2 A 0.417000 1.0079 + 4066 SYS 1356 TIP3 O1 C -0.834000 15.9994 + 4067 SYS 1356 TIP3 H1 A 0.417000 1.0079 + 4068 SYS 1356 TIP3 H2 A 0.417000 1.0079 + 4069 SYS 1357 TIP3 O1 C -0.834000 15.9994 + 4070 SYS 1357 TIP3 H1 A 0.417000 1.0079 + 4071 SYS 1357 TIP3 H2 A 0.417000 1.0079 + 4072 SYS 1358 TIP3 O1 C -0.834000 15.9994 + 4073 SYS 1358 TIP3 H1 A 0.417000 1.0079 + 4074 SYS 1358 TIP3 H2 A 0.417000 1.0079 + 4075 SYS 1359 TIP3 O1 C -0.834000 15.9994 + 4076 SYS 1359 TIP3 H1 A 0.417000 1.0079 + 4077 SYS 1359 TIP3 H2 A 0.417000 1.0079 + 4078 SYS 1360 TIP3 O1 C -0.834000 15.9994 + 4079 SYS 1360 TIP3 H1 A 0.417000 1.0079 + 4080 SYS 1360 TIP3 H2 A 0.417000 1.0079 + 4081 SYS 1361 TIP3 O1 C -0.834000 15.9994 + 4082 SYS 1361 TIP3 H1 A 0.417000 1.0079 + 4083 SYS 1361 TIP3 H2 A 0.417000 1.0079 + 4084 SYS 1362 TIP3 O1 C -0.834000 15.9994 + 4085 SYS 1362 TIP3 H1 A 0.417000 1.0079 + 4086 SYS 1362 TIP3 H2 A 0.417000 1.0079 + 4087 SYS 1363 TIP3 O1 C -0.834000 15.9994 + 4088 SYS 1363 TIP3 H1 A 0.417000 1.0079 + 4089 SYS 1363 TIP3 H2 A 0.417000 1.0079 + 4090 SYS 1364 TIP3 O1 C -0.834000 15.9994 + 4091 SYS 1364 TIP3 H1 A 0.417000 1.0079 + 4092 SYS 1364 TIP3 H2 A 0.417000 1.0079 + 4093 SYS 1365 TIP3 O1 C -0.834000 15.9994 + 4094 SYS 1365 TIP3 H1 A 0.417000 1.0079 + 4095 SYS 1365 TIP3 H2 A 0.417000 1.0079 + 4096 SYS 1366 TIP3 O1 C -0.834000 15.9994 + 4097 SYS 1366 TIP3 H1 A 0.417000 1.0079 + 4098 SYS 1366 TIP3 H2 A 0.417000 1.0079 + 4099 SYS 1367 TIP3 O1 C -0.834000 15.9994 + 4100 SYS 1367 TIP3 H1 A 0.417000 1.0079 + 4101 SYS 1367 TIP3 H2 A 0.417000 1.0079 + 4102 SYS 1368 TIP3 O1 C -0.834000 15.9994 + 4103 SYS 1368 TIP3 H1 A 0.417000 1.0079 + 4104 SYS 1368 TIP3 H2 A 0.417000 1.0079 + 4105 SYS 1369 TIP3 O1 C -0.834000 15.9994 + 4106 SYS 1369 TIP3 H1 A 0.417000 1.0079 + 4107 SYS 1369 TIP3 H2 A 0.417000 1.0079 + 4108 SYS 1370 TIP3 O1 C -0.834000 15.9994 + 4109 SYS 1370 TIP3 H1 A 0.417000 1.0079 + 4110 SYS 1370 TIP3 H2 A 0.417000 1.0079 + 4111 SYS 1371 TIP3 O1 C -0.834000 15.9994 + 4112 SYS 1371 TIP3 H1 A 0.417000 1.0079 + 4113 SYS 1371 TIP3 H2 A 0.417000 1.0079 + 4114 SYS 1372 TIP3 O1 C -0.834000 15.9994 + 4115 SYS 1372 TIP3 H1 A 0.417000 1.0079 + 4116 SYS 1372 TIP3 H2 A 0.417000 1.0079 + 4117 SYS 1373 TIP3 O1 C -0.834000 15.9994 + 4118 SYS 1373 TIP3 H1 A 0.417000 1.0079 + 4119 SYS 1373 TIP3 H2 A 0.417000 1.0079 + 4120 SYS 1374 TIP3 O1 C -0.834000 15.9994 + 4121 SYS 1374 TIP3 H1 A 0.417000 1.0079 + 4122 SYS 1374 TIP3 H2 A 0.417000 1.0079 + 4123 SYS 1375 TIP3 O1 C -0.834000 15.9994 + 4124 SYS 1375 TIP3 H1 A 0.417000 1.0079 + 4125 SYS 1375 TIP3 H2 A 0.417000 1.0079 + 4126 SYS 1376 TIP3 O1 C -0.834000 15.9994 + 4127 SYS 1376 TIP3 H1 A 0.417000 1.0079 + 4128 SYS 1376 TIP3 H2 A 0.417000 1.0079 + 4129 SYS 1377 TIP3 O1 C -0.834000 15.9994 + 4130 SYS 1377 TIP3 H1 A 0.417000 1.0079 + 4131 SYS 1377 TIP3 H2 A 0.417000 1.0079 + 4132 SYS 1378 TIP3 O1 C -0.834000 15.9994 + 4133 SYS 1378 TIP3 H1 A 0.417000 1.0079 + 4134 SYS 1378 TIP3 H2 A 0.417000 1.0079 + 4135 SYS 1379 TIP3 O1 C -0.834000 15.9994 + 4136 SYS 1379 TIP3 H1 A 0.417000 1.0079 + 4137 SYS 1379 TIP3 H2 A 0.417000 1.0079 + 4138 SYS 1380 TIP3 O1 C -0.834000 15.9994 + 4139 SYS 1380 TIP3 H1 A 0.417000 1.0079 + 4140 SYS 1380 TIP3 H2 A 0.417000 1.0079 + 4141 SYS 1381 TIP3 O1 C -0.834000 15.9994 + 4142 SYS 1381 TIP3 H1 A 0.417000 1.0079 + 4143 SYS 1381 TIP3 H2 A 0.417000 1.0079 + 4144 SYS 1382 TIP3 O1 C -0.834000 15.9994 + 4145 SYS 1382 TIP3 H1 A 0.417000 1.0079 + 4146 SYS 1382 TIP3 H2 A 0.417000 1.0079 + 4147 SYS 1383 TIP3 O1 C -0.834000 15.9994 + 4148 SYS 1383 TIP3 H1 A 0.417000 1.0079 + 4149 SYS 1383 TIP3 H2 A 0.417000 1.0079 + 4150 SYS 1384 TIP3 O1 C -0.834000 15.9994 + 4151 SYS 1384 TIP3 H1 A 0.417000 1.0079 + 4152 SYS 1384 TIP3 H2 A 0.417000 1.0079 + 4153 SYS 1385 TIP3 O1 C -0.834000 15.9994 + 4154 SYS 1385 TIP3 H1 A 0.417000 1.0079 + 4155 SYS 1385 TIP3 H2 A 0.417000 1.0079 + 4156 SYS 1386 TIP3 O1 C -0.834000 15.9994 + 4157 SYS 1386 TIP3 H1 A 0.417000 1.0079 + 4158 SYS 1386 TIP3 H2 A 0.417000 1.0079 + 4159 SYS 1387 TIP3 O1 C -0.834000 15.9994 + 4160 SYS 1387 TIP3 H1 A 0.417000 1.0079 + 4161 SYS 1387 TIP3 H2 A 0.417000 1.0079 + 4162 SYS 1388 TIP3 O1 C -0.834000 15.9994 + 4163 SYS 1388 TIP3 H1 A 0.417000 1.0079 + 4164 SYS 1388 TIP3 H2 A 0.417000 1.0079 + 4165 SYS 1389 TIP3 O1 C -0.834000 15.9994 + 4166 SYS 1389 TIP3 H1 A 0.417000 1.0079 + 4167 SYS 1389 TIP3 H2 A 0.417000 1.0079 + 4168 SYS 1390 TIP3 O1 C -0.834000 15.9994 + 4169 SYS 1390 TIP3 H1 A 0.417000 1.0079 + 4170 SYS 1390 TIP3 H2 A 0.417000 1.0079 + 4171 SYS 1391 TIP3 O1 C -0.834000 15.9994 + 4172 SYS 1391 TIP3 H1 A 0.417000 1.0079 + 4173 SYS 1391 TIP3 H2 A 0.417000 1.0079 + 4174 SYS 1392 TIP3 O1 C -0.834000 15.9994 + 4175 SYS 1392 TIP3 H1 A 0.417000 1.0079 + 4176 SYS 1392 TIP3 H2 A 0.417000 1.0079 + 4177 SYS 1393 TIP3 O1 C -0.834000 15.9994 + 4178 SYS 1393 TIP3 H1 A 0.417000 1.0079 + 4179 SYS 1393 TIP3 H2 A 0.417000 1.0079 + 4180 SYS 1394 TIP3 O1 C -0.834000 15.9994 + 4181 SYS 1394 TIP3 H1 A 0.417000 1.0079 + 4182 SYS 1394 TIP3 H2 A 0.417000 1.0079 + 4183 SYS 1395 TIP3 O1 C -0.834000 15.9994 + 4184 SYS 1395 TIP3 H1 A 0.417000 1.0079 + 4185 SYS 1395 TIP3 H2 A 0.417000 1.0079 + 4186 SYS 1396 TIP3 O1 C -0.834000 15.9994 + 4187 SYS 1396 TIP3 H1 A 0.417000 1.0079 + 4188 SYS 1396 TIP3 H2 A 0.417000 1.0079 + 4189 SYS 1397 TIP3 O1 C -0.834000 15.9994 + 4190 SYS 1397 TIP3 H1 A 0.417000 1.0079 + 4191 SYS 1397 TIP3 H2 A 0.417000 1.0079 + 4192 SYS 1398 TIP3 O1 C -0.834000 15.9994 + 4193 SYS 1398 TIP3 H1 A 0.417000 1.0079 + 4194 SYS 1398 TIP3 H2 A 0.417000 1.0079 + 4195 SYS 1399 TIP3 O1 C -0.834000 15.9994 + 4196 SYS 1399 TIP3 H1 A 0.417000 1.0079 + 4197 SYS 1399 TIP3 H2 A 0.417000 1.0079 + 4198 SYS 1400 TIP3 O1 C -0.834000 15.9994 + 4199 SYS 1400 TIP3 H1 A 0.417000 1.0079 + 4200 SYS 1400 TIP3 H2 A 0.417000 1.0079 + 4201 SYS 1401 TIP3 O1 C -0.834000 15.9994 + 4202 SYS 1401 TIP3 H1 A 0.417000 1.0079 + 4203 SYS 1401 TIP3 H2 A 0.417000 1.0079 + 4204 SYS 1402 TIP3 O1 C -0.834000 15.9994 + 4205 SYS 1402 TIP3 H1 A 0.417000 1.0079 + 4206 SYS 1402 TIP3 H2 A 0.417000 1.0079 + 4207 SYS 1403 TIP3 O1 C -0.834000 15.9994 + 4208 SYS 1403 TIP3 H1 A 0.417000 1.0079 + 4209 SYS 1403 TIP3 H2 A 0.417000 1.0079 + 4210 SYS 1404 TIP3 O1 C -0.834000 15.9994 + 4211 SYS 1404 TIP3 H1 A 0.417000 1.0079 + 4212 SYS 1404 TIP3 H2 A 0.417000 1.0079 + 4213 SYS 1405 TIP3 O1 C -0.834000 15.9994 + 4214 SYS 1405 TIP3 H1 A 0.417000 1.0079 + 4215 SYS 1405 TIP3 H2 A 0.417000 1.0079 + 4216 SYS 1406 TIP3 O1 C -0.834000 15.9994 + 4217 SYS 1406 TIP3 H1 A 0.417000 1.0079 + 4218 SYS 1406 TIP3 H2 A 0.417000 1.0079 + 4219 SYS 1407 TIP3 O1 C -0.834000 15.9994 + 4220 SYS 1407 TIP3 H1 A 0.417000 1.0079 + 4221 SYS 1407 TIP3 H2 A 0.417000 1.0079 + 4222 SYS 1408 TIP3 O1 C -0.834000 15.9994 + 4223 SYS 1408 TIP3 H1 A 0.417000 1.0079 + 4224 SYS 1408 TIP3 H2 A 0.417000 1.0079 + 4225 SYS 1409 TIP3 O1 C -0.834000 15.9994 + 4226 SYS 1409 TIP3 H1 A 0.417000 1.0079 + 4227 SYS 1409 TIP3 H2 A 0.417000 1.0079 + 4228 SYS 1410 TIP3 O1 C -0.834000 15.9994 + 4229 SYS 1410 TIP3 H1 A 0.417000 1.0079 + 4230 SYS 1410 TIP3 H2 A 0.417000 1.0079 + 4231 SYS 1411 TIP3 O1 C -0.834000 15.9994 + 4232 SYS 1411 TIP3 H1 A 0.417000 1.0079 + 4233 SYS 1411 TIP3 H2 A 0.417000 1.0079 + 4234 SYS 1412 TIP3 O1 C -0.834000 15.9994 + 4235 SYS 1412 TIP3 H1 A 0.417000 1.0079 + 4236 SYS 1412 TIP3 H2 A 0.417000 1.0079 + 4237 SYS 1413 TIP3 O1 C -0.834000 15.9994 + 4238 SYS 1413 TIP3 H1 A 0.417000 1.0079 + 4239 SYS 1413 TIP3 H2 A 0.417000 1.0079 + 4240 SYS 1414 TIP3 O1 C -0.834000 15.9994 + 4241 SYS 1414 TIP3 H1 A 0.417000 1.0079 + 4242 SYS 1414 TIP3 H2 A 0.417000 1.0079 + 4243 SYS 1415 TIP3 O1 C -0.834000 15.9994 + 4244 SYS 1415 TIP3 H1 A 0.417000 1.0079 + 4245 SYS 1415 TIP3 H2 A 0.417000 1.0079 + 4246 SYS 1416 TIP3 O1 C -0.834000 15.9994 + 4247 SYS 1416 TIP3 H1 A 0.417000 1.0079 + 4248 SYS 1416 TIP3 H2 A 0.417000 1.0079 + 4249 SYS 1417 TIP3 O1 C -0.834000 15.9994 + 4250 SYS 1417 TIP3 H1 A 0.417000 1.0079 + 4251 SYS 1417 TIP3 H2 A 0.417000 1.0079 + 4252 SYS 1418 TIP3 O1 C -0.834000 15.9994 + 4253 SYS 1418 TIP3 H1 A 0.417000 1.0079 + 4254 SYS 1418 TIP3 H2 A 0.417000 1.0079 + 4255 SYS 1419 TIP3 O1 C -0.834000 15.9994 + 4256 SYS 1419 TIP3 H1 A 0.417000 1.0079 + 4257 SYS 1419 TIP3 H2 A 0.417000 1.0079 + 4258 SYS 1420 TIP3 O1 C -0.834000 15.9994 + 4259 SYS 1420 TIP3 H1 A 0.417000 1.0079 + 4260 SYS 1420 TIP3 H2 A 0.417000 1.0079 + 4261 SYS 1421 TIP3 O1 C -0.834000 15.9994 + 4262 SYS 1421 TIP3 H1 A 0.417000 1.0079 + 4263 SYS 1421 TIP3 H2 A 0.417000 1.0079 + 4264 SYS 1422 TIP3 O1 C -0.834000 15.9994 + 4265 SYS 1422 TIP3 H1 A 0.417000 1.0079 + 4266 SYS 1422 TIP3 H2 A 0.417000 1.0079 + 4267 SYS 1423 TIP3 O1 C -0.834000 15.9994 + 4268 SYS 1423 TIP3 H1 A 0.417000 1.0079 + 4269 SYS 1423 TIP3 H2 A 0.417000 1.0079 + 4270 SYS 1424 TIP3 O1 C -0.834000 15.9994 + 4271 SYS 1424 TIP3 H1 A 0.417000 1.0079 + 4272 SYS 1424 TIP3 H2 A 0.417000 1.0079 + 4273 SYS 1425 TIP3 O1 C -0.834000 15.9994 + 4274 SYS 1425 TIP3 H1 A 0.417000 1.0079 + 4275 SYS 1425 TIP3 H2 A 0.417000 1.0079 + 4276 SYS 1426 TIP3 O1 C -0.834000 15.9994 + 4277 SYS 1426 TIP3 H1 A 0.417000 1.0079 + 4278 SYS 1426 TIP3 H2 A 0.417000 1.0079 + 4279 SYS 1427 TIP3 O1 C -0.834000 15.9994 + 4280 SYS 1427 TIP3 H1 A 0.417000 1.0079 + 4281 SYS 1427 TIP3 H2 A 0.417000 1.0079 + 4282 SYS 1428 TIP3 O1 C -0.834000 15.9994 + 4283 SYS 1428 TIP3 H1 A 0.417000 1.0079 + 4284 SYS 1428 TIP3 H2 A 0.417000 1.0079 + 4285 SYS 1429 TIP3 O1 C -0.834000 15.9994 + 4286 SYS 1429 TIP3 H1 A 0.417000 1.0079 + 4287 SYS 1429 TIP3 H2 A 0.417000 1.0079 + 4288 SYS 1430 TIP3 O1 C -0.834000 15.9994 + 4289 SYS 1430 TIP3 H1 A 0.417000 1.0079 + 4290 SYS 1430 TIP3 H2 A 0.417000 1.0079 + 4291 SYS 1431 TIP3 O1 C -0.834000 15.9994 + 4292 SYS 1431 TIP3 H1 A 0.417000 1.0079 + 4293 SYS 1431 TIP3 H2 A 0.417000 1.0079 + 4294 SYS 1432 TIP3 O1 C -0.834000 15.9994 + 4295 SYS 1432 TIP3 H1 A 0.417000 1.0079 + 4296 SYS 1432 TIP3 H2 A 0.417000 1.0079 + 4297 SYS 1433 TIP3 O1 C -0.834000 15.9994 + 4298 SYS 1433 TIP3 H1 A 0.417000 1.0079 + 4299 SYS 1433 TIP3 H2 A 0.417000 1.0079 + 4300 SYS 1434 TIP3 O1 C -0.834000 15.9994 + 4301 SYS 1434 TIP3 H1 A 0.417000 1.0079 + 4302 SYS 1434 TIP3 H2 A 0.417000 1.0079 + 4303 SYS 1435 TIP3 O1 C -0.834000 15.9994 + 4304 SYS 1435 TIP3 H1 A 0.417000 1.0079 + 4305 SYS 1435 TIP3 H2 A 0.417000 1.0079 + 4306 SYS 1436 TIP3 O1 C -0.834000 15.9994 + 4307 SYS 1436 TIP3 H1 A 0.417000 1.0079 + 4308 SYS 1436 TIP3 H2 A 0.417000 1.0079 + 4309 SYS 1437 TIP3 O1 C -0.834000 15.9994 + 4310 SYS 1437 TIP3 H1 A 0.417000 1.0079 + 4311 SYS 1437 TIP3 H2 A 0.417000 1.0079 + 4312 SYS 1438 TIP3 O1 C -0.834000 15.9994 + 4313 SYS 1438 TIP3 H1 A 0.417000 1.0079 + 4314 SYS 1438 TIP3 H2 A 0.417000 1.0079 + 4315 SYS 1439 TIP3 O1 C -0.834000 15.9994 + 4316 SYS 1439 TIP3 H1 A 0.417000 1.0079 + 4317 SYS 1439 TIP3 H2 A 0.417000 1.0079 + 4318 SYS 1440 TIP3 O1 C -0.834000 15.9994 + 4319 SYS 1440 TIP3 H1 A 0.417000 1.0079 + 4320 SYS 1440 TIP3 H2 A 0.417000 1.0079 + 4321 SYS 1441 TIP3 O1 C -0.834000 15.9994 + 4322 SYS 1441 TIP3 H1 A 0.417000 1.0079 + 4323 SYS 1441 TIP3 H2 A 0.417000 1.0079 + 4324 SYS 1442 TIP3 O1 C -0.834000 15.9994 + 4325 SYS 1442 TIP3 H1 A 0.417000 1.0079 + 4326 SYS 1442 TIP3 H2 A 0.417000 1.0079 + 4327 SYS 1443 TIP3 O1 C -0.834000 15.9994 + 4328 SYS 1443 TIP3 H1 A 0.417000 1.0079 + 4329 SYS 1443 TIP3 H2 A 0.417000 1.0079 + 4330 SYS 1444 TIP3 O1 C -0.834000 15.9994 + 4331 SYS 1444 TIP3 H1 A 0.417000 1.0079 + 4332 SYS 1444 TIP3 H2 A 0.417000 1.0079 + 4333 SYS 1445 TIP3 O1 C -0.834000 15.9994 + 4334 SYS 1445 TIP3 H1 A 0.417000 1.0079 + 4335 SYS 1445 TIP3 H2 A 0.417000 1.0079 + 4336 SYS 1446 TIP3 O1 C -0.834000 15.9994 + 4337 SYS 1446 TIP3 H1 A 0.417000 1.0079 + 4338 SYS 1446 TIP3 H2 A 0.417000 1.0079 + 4339 SYS 1447 TIP3 O1 C -0.834000 15.9994 + 4340 SYS 1447 TIP3 H1 A 0.417000 1.0079 + 4341 SYS 1447 TIP3 H2 A 0.417000 1.0079 + 4342 SYS 1448 TIP3 O1 C -0.834000 15.9994 + 4343 SYS 1448 TIP3 H1 A 0.417000 1.0079 + 4344 SYS 1448 TIP3 H2 A 0.417000 1.0079 + 4345 SYS 1449 TIP3 O1 C -0.834000 15.9994 + 4346 SYS 1449 TIP3 H1 A 0.417000 1.0079 + 4347 SYS 1449 TIP3 H2 A 0.417000 1.0079 + 4348 SYS 1450 TIP3 O1 C -0.834000 15.9994 + 4349 SYS 1450 TIP3 H1 A 0.417000 1.0079 + 4350 SYS 1450 TIP3 H2 A 0.417000 1.0079 + 4351 SYS 1451 TIP3 O1 C -0.834000 15.9994 + 4352 SYS 1451 TIP3 H1 A 0.417000 1.0079 + 4353 SYS 1451 TIP3 H2 A 0.417000 1.0079 + 4354 SYS 1452 TIP3 O1 C -0.834000 15.9994 + 4355 SYS 1452 TIP3 H1 A 0.417000 1.0079 + 4356 SYS 1452 TIP3 H2 A 0.417000 1.0079 + 4357 SYS 1453 TIP3 O1 C -0.834000 15.9994 + 4358 SYS 1453 TIP3 H1 A 0.417000 1.0079 + 4359 SYS 1453 TIP3 H2 A 0.417000 1.0079 + 4360 SYS 1454 TIP3 O1 C -0.834000 15.9994 + 4361 SYS 1454 TIP3 H1 A 0.417000 1.0079 + 4362 SYS 1454 TIP3 H2 A 0.417000 1.0079 + 4363 SYS 1455 TIP3 O1 C -0.834000 15.9994 + 4364 SYS 1455 TIP3 H1 A 0.417000 1.0079 + 4365 SYS 1455 TIP3 H2 A 0.417000 1.0079 + 4366 SYS 1456 TIP3 O1 C -0.834000 15.9994 + 4367 SYS 1456 TIP3 H1 A 0.417000 1.0079 + 4368 SYS 1456 TIP3 H2 A 0.417000 1.0079 + 4369 SYS 1457 TIP3 O1 C -0.834000 15.9994 + 4370 SYS 1457 TIP3 H1 A 0.417000 1.0079 + 4371 SYS 1457 TIP3 H2 A 0.417000 1.0079 + 4372 SYS 1458 TIP3 O1 C -0.834000 15.9994 + 4373 SYS 1458 TIP3 H1 A 0.417000 1.0079 + 4374 SYS 1458 TIP3 H2 A 0.417000 1.0079 + 4375 SYS 1459 TIP3 O1 C -0.834000 15.9994 + 4376 SYS 1459 TIP3 H1 A 0.417000 1.0079 + 4377 SYS 1459 TIP3 H2 A 0.417000 1.0079 + 4378 SYS 1460 TIP3 O1 C -0.834000 15.9994 + 4379 SYS 1460 TIP3 H1 A 0.417000 1.0079 + 4380 SYS 1460 TIP3 H2 A 0.417000 1.0079 + 4381 SYS 1461 TIP3 O1 C -0.834000 15.9994 + 4382 SYS 1461 TIP3 H1 A 0.417000 1.0079 + 4383 SYS 1461 TIP3 H2 A 0.417000 1.0079 + 4384 SYS 1462 TIP3 O1 C -0.834000 15.9994 + 4385 SYS 1462 TIP3 H1 A 0.417000 1.0079 + 4386 SYS 1462 TIP3 H2 A 0.417000 1.0079 + 4387 SYS 1463 TIP3 O1 C -0.834000 15.9994 + 4388 SYS 1463 TIP3 H1 A 0.417000 1.0079 + 4389 SYS 1463 TIP3 H2 A 0.417000 1.0079 + 4390 SYS 1464 TIP3 O1 C -0.834000 15.9994 + 4391 SYS 1464 TIP3 H1 A 0.417000 1.0079 + 4392 SYS 1464 TIP3 H2 A 0.417000 1.0079 + 4393 SYS 1465 TIP3 O1 C -0.834000 15.9994 + 4394 SYS 1465 TIP3 H1 A 0.417000 1.0079 + 4395 SYS 1465 TIP3 H2 A 0.417000 1.0079 + 4396 SYS 1466 TIP3 O1 C -0.834000 15.9994 + 4397 SYS 1466 TIP3 H1 A 0.417000 1.0079 + 4398 SYS 1466 TIP3 H2 A 0.417000 1.0079 + 4399 SYS 1467 TIP3 O1 C -0.834000 15.9994 + 4400 SYS 1467 TIP3 H1 A 0.417000 1.0079 + 4401 SYS 1467 TIP3 H2 A 0.417000 1.0079 + 4402 SYS 1468 TIP3 O1 C -0.834000 15.9994 + 4403 SYS 1468 TIP3 H1 A 0.417000 1.0079 + 4404 SYS 1468 TIP3 H2 A 0.417000 1.0079 + 4405 SYS 1469 TIP3 O1 C -0.834000 15.9994 + 4406 SYS 1469 TIP3 H1 A 0.417000 1.0079 + 4407 SYS 1469 TIP3 H2 A 0.417000 1.0079 + 4408 SYS 1470 TIP3 O1 C -0.834000 15.9994 + 4409 SYS 1470 TIP3 H1 A 0.417000 1.0079 + 4410 SYS 1470 TIP3 H2 A 0.417000 1.0079 + 4411 SYS 1471 TIP3 O1 C -0.834000 15.9994 + 4412 SYS 1471 TIP3 H1 A 0.417000 1.0079 + 4413 SYS 1471 TIP3 H2 A 0.417000 1.0079 + 4414 SYS 1472 TIP3 O1 C -0.834000 15.9994 + 4415 SYS 1472 TIP3 H1 A 0.417000 1.0079 + 4416 SYS 1472 TIP3 H2 A 0.417000 1.0079 + 4417 SYS 1473 TIP3 O1 C -0.834000 15.9994 + 4418 SYS 1473 TIP3 H1 A 0.417000 1.0079 + 4419 SYS 1473 TIP3 H2 A 0.417000 1.0079 + 4420 SYS 1474 TIP3 O1 C -0.834000 15.9994 + 4421 SYS 1474 TIP3 H1 A 0.417000 1.0079 + 4422 SYS 1474 TIP3 H2 A 0.417000 1.0079 + 4423 SYS 1475 TIP3 O1 C -0.834000 15.9994 + 4424 SYS 1475 TIP3 H1 A 0.417000 1.0079 + 4425 SYS 1475 TIP3 H2 A 0.417000 1.0079 + 4426 SYS 1476 TIP3 O1 C -0.834000 15.9994 + 4427 SYS 1476 TIP3 H1 A 0.417000 1.0079 + 4428 SYS 1476 TIP3 H2 A 0.417000 1.0079 + 4429 SYS 1477 TIP3 O1 C -0.834000 15.9994 + 4430 SYS 1477 TIP3 H1 A 0.417000 1.0079 + 4431 SYS 1477 TIP3 H2 A 0.417000 1.0079 + 4432 SYS 1478 TIP3 O1 C -0.834000 15.9994 + 4433 SYS 1478 TIP3 H1 A 0.417000 1.0079 + 4434 SYS 1478 TIP3 H2 A 0.417000 1.0079 + 4435 SYS 1479 TIP3 O1 C -0.834000 15.9994 + 4436 SYS 1479 TIP3 H1 A 0.417000 1.0079 + 4437 SYS 1479 TIP3 H2 A 0.417000 1.0079 + 4438 SYS 1480 TIP3 O1 C -0.834000 15.9994 + 4439 SYS 1480 TIP3 H1 A 0.417000 1.0079 + 4440 SYS 1480 TIP3 H2 A 0.417000 1.0079 + 4441 SYS 1481 TIP3 O1 C -0.834000 15.9994 + 4442 SYS 1481 TIP3 H1 A 0.417000 1.0079 + 4443 SYS 1481 TIP3 H2 A 0.417000 1.0079 + 4444 SYS 1482 TIP3 O1 C -0.834000 15.9994 + 4445 SYS 1482 TIP3 H1 A 0.417000 1.0079 + 4446 SYS 1482 TIP3 H2 A 0.417000 1.0079 + 4447 SYS 1483 TIP3 O1 C -0.834000 15.9994 + 4448 SYS 1483 TIP3 H1 A 0.417000 1.0079 + 4449 SYS 1483 TIP3 H2 A 0.417000 1.0079 + 4450 SYS 1484 TIP3 O1 C -0.834000 15.9994 + 4451 SYS 1484 TIP3 H1 A 0.417000 1.0079 + 4452 SYS 1484 TIP3 H2 A 0.417000 1.0079 + 4453 SYS 1485 TIP3 O1 C -0.834000 15.9994 + 4454 SYS 1485 TIP3 H1 A 0.417000 1.0079 + 4455 SYS 1485 TIP3 H2 A 0.417000 1.0079 + 4456 SYS 1486 TIP3 O1 C -0.834000 15.9994 + 4457 SYS 1486 TIP3 H1 A 0.417000 1.0079 + 4458 SYS 1486 TIP3 H2 A 0.417000 1.0079 + 4459 SYS 1487 TIP3 O1 C -0.834000 15.9994 + 4460 SYS 1487 TIP3 H1 A 0.417000 1.0079 + 4461 SYS 1487 TIP3 H2 A 0.417000 1.0079 + 4462 SYS 1488 TIP3 O1 C -0.834000 15.9994 + 4463 SYS 1488 TIP3 H1 A 0.417000 1.0079 + 4464 SYS 1488 TIP3 H2 A 0.417000 1.0079 + 4465 SYS 1489 TIP3 O1 C -0.834000 15.9994 + 4466 SYS 1489 TIP3 H1 A 0.417000 1.0079 + 4467 SYS 1489 TIP3 H2 A 0.417000 1.0079 + 4468 SYS 1490 TIP3 O1 C -0.834000 15.9994 + 4469 SYS 1490 TIP3 H1 A 0.417000 1.0079 + 4470 SYS 1490 TIP3 H2 A 0.417000 1.0079 + 4471 SYS 1491 TIP3 O1 C -0.834000 15.9994 + 4472 SYS 1491 TIP3 H1 A 0.417000 1.0079 + 4473 SYS 1491 TIP3 H2 A 0.417000 1.0079 + 4474 SYS 1492 TIP3 O1 C -0.834000 15.9994 + 4475 SYS 1492 TIP3 H1 A 0.417000 1.0079 + 4476 SYS 1492 TIP3 H2 A 0.417000 1.0079 + 4477 SYS 1493 TIP3 O1 C -0.834000 15.9994 + 4478 SYS 1493 TIP3 H1 A 0.417000 1.0079 + 4479 SYS 1493 TIP3 H2 A 0.417000 1.0079 + 4480 SYS 1494 TIP3 O1 C -0.834000 15.9994 + 4481 SYS 1494 TIP3 H1 A 0.417000 1.0079 + 4482 SYS 1494 TIP3 H2 A 0.417000 1.0079 + 4483 SYS 1495 TIP3 O1 C -0.834000 15.9994 + 4484 SYS 1495 TIP3 H1 A 0.417000 1.0079 + 4485 SYS 1495 TIP3 H2 A 0.417000 1.0079 + 4486 SYS 1496 TIP3 O1 C -0.834000 15.9994 + 4487 SYS 1496 TIP3 H1 A 0.417000 1.0079 + 4488 SYS 1496 TIP3 H2 A 0.417000 1.0079 + 4489 SYS 1497 TIP3 O1 C -0.834000 15.9994 + 4490 SYS 1497 TIP3 H1 A 0.417000 1.0079 + 4491 SYS 1497 TIP3 H2 A 0.417000 1.0079 + 4492 SYS 1498 TIP3 O1 C -0.834000 15.9994 + 4493 SYS 1498 TIP3 H1 A 0.417000 1.0079 + 4494 SYS 1498 TIP3 H2 A 0.417000 1.0079 + 4495 SYS 1499 TIP3 O1 C -0.834000 15.9994 + 4496 SYS 1499 TIP3 H1 A 0.417000 1.0079 + 4497 SYS 1499 TIP3 H2 A 0.417000 1.0079 + 4498 SYS 1500 TIP3 O1 C -0.834000 15.9994 + 4499 SYS 1500 TIP3 H1 A 0.417000 1.0079 + 4500 SYS 1500 TIP3 H2 A 0.417000 1.0079 + 4501 SYS 1501 TIP3 O1 C -0.834000 15.9994 + 4502 SYS 1501 TIP3 H1 A 0.417000 1.0079 + 4503 SYS 1501 TIP3 H2 A 0.417000 1.0079 + 4504 SYS 1502 TIP3 O1 C -0.834000 15.9994 + 4505 SYS 1502 TIP3 H1 A 0.417000 1.0079 + 4506 SYS 1502 TIP3 H2 A 0.417000 1.0079 + 4507 SYS 1503 TIP3 O1 C -0.834000 15.9994 + 4508 SYS 1503 TIP3 H1 A 0.417000 1.0079 + 4509 SYS 1503 TIP3 H2 A 0.417000 1.0079 + 4510 SYS 1504 TIP3 O1 C -0.834000 15.9994 + 4511 SYS 1504 TIP3 H1 A 0.417000 1.0079 + 4512 SYS 1504 TIP3 H2 A 0.417000 1.0079 + 4513 SYS 1505 TIP3 O1 C -0.834000 15.9994 + 4514 SYS 1505 TIP3 H1 A 0.417000 1.0079 + 4515 SYS 1505 TIP3 H2 A 0.417000 1.0079 + 4516 SYS 1506 TIP3 O1 C -0.834000 15.9994 + 4517 SYS 1506 TIP3 H1 A 0.417000 1.0079 + 4518 SYS 1506 TIP3 H2 A 0.417000 1.0079 + 4519 SYS 1507 TIP3 O1 C -0.834000 15.9994 + 4520 SYS 1507 TIP3 H1 A 0.417000 1.0079 + 4521 SYS 1507 TIP3 H2 A 0.417000 1.0079 + 4522 SYS 1508 TIP3 O1 C -0.834000 15.9994 + 4523 SYS 1508 TIP3 H1 A 0.417000 1.0079 + 4524 SYS 1508 TIP3 H2 A 0.417000 1.0079 + 4525 SYS 1509 TIP3 O1 C -0.834000 15.9994 + 4526 SYS 1509 TIP3 H1 A 0.417000 1.0079 + 4527 SYS 1509 TIP3 H2 A 0.417000 1.0079 + 4528 SYS 1510 TIP3 O1 C -0.834000 15.9994 + 4529 SYS 1510 TIP3 H1 A 0.417000 1.0079 + 4530 SYS 1510 TIP3 H2 A 0.417000 1.0079 + 4531 SYS 1511 TIP3 O1 C -0.834000 15.9994 + 4532 SYS 1511 TIP3 H1 A 0.417000 1.0079 + 4533 SYS 1511 TIP3 H2 A 0.417000 1.0079 + 4534 SYS 1512 TIP3 O1 C -0.834000 15.9994 + 4535 SYS 1512 TIP3 H1 A 0.417000 1.0079 + 4536 SYS 1512 TIP3 H2 A 0.417000 1.0079 + 4537 SYS 1513 TIP3 O1 C -0.834000 15.9994 + 4538 SYS 1513 TIP3 H1 A 0.417000 1.0079 + 4539 SYS 1513 TIP3 H2 A 0.417000 1.0079 + 4540 SYS 1514 TIP3 O1 C -0.834000 15.9994 + 4541 SYS 1514 TIP3 H1 A 0.417000 1.0079 + 4542 SYS 1514 TIP3 H2 A 0.417000 1.0079 + 4543 SYS 1515 TIP3 O1 C -0.834000 15.9994 + 4544 SYS 1515 TIP3 H1 A 0.417000 1.0079 + 4545 SYS 1515 TIP3 H2 A 0.417000 1.0079 + 4546 SYS 1516 TIP3 O1 C -0.834000 15.9994 + 4547 SYS 1516 TIP3 H1 A 0.417000 1.0079 + 4548 SYS 1516 TIP3 H2 A 0.417000 1.0079 + 4549 SYS 1517 TIP3 O1 C -0.834000 15.9994 + 4550 SYS 1517 TIP3 H1 A 0.417000 1.0079 + 4551 SYS 1517 TIP3 H2 A 0.417000 1.0079 + 4552 SYS 1518 TIP3 O1 C -0.834000 15.9994 + 4553 SYS 1518 TIP3 H1 A 0.417000 1.0079 + 4554 SYS 1518 TIP3 H2 A 0.417000 1.0079 + 4555 SYS 1519 TIP3 O1 C -0.834000 15.9994 + 4556 SYS 1519 TIP3 H1 A 0.417000 1.0079 + 4557 SYS 1519 TIP3 H2 A 0.417000 1.0079 + 4558 SYS 1520 TIP3 O1 C -0.834000 15.9994 + 4559 SYS 1520 TIP3 H1 A 0.417000 1.0079 + 4560 SYS 1520 TIP3 H2 A 0.417000 1.0079 + 4561 SYS 1521 TIP3 O1 C -0.834000 15.9994 + 4562 SYS 1521 TIP3 H1 A 0.417000 1.0079 + 4563 SYS 1521 TIP3 H2 A 0.417000 1.0079 + 4564 SYS 1522 TIP3 O1 C -0.834000 15.9994 + 4565 SYS 1522 TIP3 H1 A 0.417000 1.0079 + 4566 SYS 1522 TIP3 H2 A 0.417000 1.0079 + 4567 SYS 1523 TIP3 O1 C -0.834000 15.9994 + 4568 SYS 1523 TIP3 H1 A 0.417000 1.0079 + 4569 SYS 1523 TIP3 H2 A 0.417000 1.0079 + 4570 SYS 1524 TIP3 O1 C -0.834000 15.9994 + 4571 SYS 1524 TIP3 H1 A 0.417000 1.0079 + 4572 SYS 1524 TIP3 H2 A 0.417000 1.0079 + 4573 SYS 1525 TIP3 O1 C -0.834000 15.9994 + 4574 SYS 1525 TIP3 H1 A 0.417000 1.0079 + 4575 SYS 1525 TIP3 H2 A 0.417000 1.0079 + 4576 SYS 1526 TIP3 O1 C -0.834000 15.9994 + 4577 SYS 1526 TIP3 H1 A 0.417000 1.0079 + 4578 SYS 1526 TIP3 H2 A 0.417000 1.0079 + 4579 SYS 1527 TIP3 O1 C -0.834000 15.9994 + 4580 SYS 1527 TIP3 H1 A 0.417000 1.0079 + 4581 SYS 1527 TIP3 H2 A 0.417000 1.0079 + 4582 SYS 1528 TIP3 O1 C -0.834000 15.9994 + 4583 SYS 1528 TIP3 H1 A 0.417000 1.0079 + 4584 SYS 1528 TIP3 H2 A 0.417000 1.0079 + 4585 SYS 1529 TIP3 O1 C -0.834000 15.9994 + 4586 SYS 1529 TIP3 H1 A 0.417000 1.0079 + 4587 SYS 1529 TIP3 H2 A 0.417000 1.0079 + 4588 SYS 1530 TIP3 O1 C -0.834000 15.9994 + 4589 SYS 1530 TIP3 H1 A 0.417000 1.0079 + 4590 SYS 1530 TIP3 H2 A 0.417000 1.0079 + 4591 SYS 1531 TIP3 O1 C -0.834000 15.9994 + 4592 SYS 1531 TIP3 H1 A 0.417000 1.0079 + 4593 SYS 1531 TIP3 H2 A 0.417000 1.0079 + 4594 SYS 1532 TIP3 O1 C -0.834000 15.9994 + 4595 SYS 1532 TIP3 H1 A 0.417000 1.0079 + 4596 SYS 1532 TIP3 H2 A 0.417000 1.0079 + 4597 SYS 1533 TIP3 O1 C -0.834000 15.9994 + 4598 SYS 1533 TIP3 H1 A 0.417000 1.0079 + 4599 SYS 1533 TIP3 H2 A 0.417000 1.0079 + 4600 SYS 1534 TIP3 O1 C -0.834000 15.9994 + 4601 SYS 1534 TIP3 H1 A 0.417000 1.0079 + 4602 SYS 1534 TIP3 H2 A 0.417000 1.0079 + 4603 SYS 1535 TIP3 O1 C -0.834000 15.9994 + 4604 SYS 1535 TIP3 H1 A 0.417000 1.0079 + 4605 SYS 1535 TIP3 H2 A 0.417000 1.0079 + 4606 SYS 1536 TIP3 O1 C -0.834000 15.9994 + 4607 SYS 1536 TIP3 H1 A 0.417000 1.0079 + 4608 SYS 1536 TIP3 H2 A 0.417000 1.0079 + 4609 SYS 1537 TIP3 O1 C -0.834000 15.9994 + 4610 SYS 1537 TIP3 H1 A 0.417000 1.0079 + 4611 SYS 1537 TIP3 H2 A 0.417000 1.0079 + 4612 SYS 1538 TIP3 O1 C -0.834000 15.9994 + 4613 SYS 1538 TIP3 H1 A 0.417000 1.0079 + 4614 SYS 1538 TIP3 H2 A 0.417000 1.0079 + 4615 SYS 1539 TIP3 O1 C -0.834000 15.9994 + 4616 SYS 1539 TIP3 H1 A 0.417000 1.0079 + 4617 SYS 1539 TIP3 H2 A 0.417000 1.0079 + 4618 SYS 1540 TIP3 O1 C -0.834000 15.9994 + 4619 SYS 1540 TIP3 H1 A 0.417000 1.0079 + 4620 SYS 1540 TIP3 H2 A 0.417000 1.0079 + 4621 SYS 1541 TIP3 O1 C -0.834000 15.9994 + 4622 SYS 1541 TIP3 H1 A 0.417000 1.0079 + 4623 SYS 1541 TIP3 H2 A 0.417000 1.0079 + 4624 SYS 1542 TIP3 O1 C -0.834000 15.9994 + 4625 SYS 1542 TIP3 H1 A 0.417000 1.0079 + 4626 SYS 1542 TIP3 H2 A 0.417000 1.0079 + 4627 SYS 1543 TIP3 O1 C -0.834000 15.9994 + 4628 SYS 1543 TIP3 H1 A 0.417000 1.0079 + 4629 SYS 1543 TIP3 H2 A 0.417000 1.0079 + 4630 SYS 1544 TIP3 O1 C -0.834000 15.9994 + 4631 SYS 1544 TIP3 H1 A 0.417000 1.0079 + 4632 SYS 1544 TIP3 H2 A 0.417000 1.0079 + 4633 SYS 1545 TIP3 O1 C -0.834000 15.9994 + 4634 SYS 1545 TIP3 H1 A 0.417000 1.0079 + 4635 SYS 1545 TIP3 H2 A 0.417000 1.0079 + 4636 SYS 1546 TIP3 O1 C -0.834000 15.9994 + 4637 SYS 1546 TIP3 H1 A 0.417000 1.0079 + 4638 SYS 1546 TIP3 H2 A 0.417000 1.0079 + 4639 SYS 1547 TIP3 O1 C -0.834000 15.9994 + 4640 SYS 1547 TIP3 H1 A 0.417000 1.0079 + 4641 SYS 1547 TIP3 H2 A 0.417000 1.0079 + 4642 SYS 1548 TIP3 O1 C -0.834000 15.9994 + 4643 SYS 1548 TIP3 H1 A 0.417000 1.0079 + 4644 SYS 1548 TIP3 H2 A 0.417000 1.0079 + 4645 SYS 1549 TIP3 O1 C -0.834000 15.9994 + 4646 SYS 1549 TIP3 H1 A 0.417000 1.0079 + 4647 SYS 1549 TIP3 H2 A 0.417000 1.0079 + 4648 SYS 1550 TIP3 O1 C -0.834000 15.9994 + 4649 SYS 1550 TIP3 H1 A 0.417000 1.0079 + 4650 SYS 1550 TIP3 H2 A 0.417000 1.0079 + 4651 SYS 1551 TIP3 O1 C -0.834000 15.9994 + 4652 SYS 1551 TIP3 H1 A 0.417000 1.0079 + 4653 SYS 1551 TIP3 H2 A 0.417000 1.0079 + 4654 SYS 1552 TIP3 O1 C -0.834000 15.9994 + 4655 SYS 1552 TIP3 H1 A 0.417000 1.0079 + 4656 SYS 1552 TIP3 H2 A 0.417000 1.0079 + 4657 SYS 1553 TIP3 O1 C -0.834000 15.9994 + 4658 SYS 1553 TIP3 H1 A 0.417000 1.0079 + 4659 SYS 1553 TIP3 H2 A 0.417000 1.0079 + 4660 SYS 1554 TIP3 O1 C -0.834000 15.9994 + 4661 SYS 1554 TIP3 H1 A 0.417000 1.0079 + 4662 SYS 1554 TIP3 H2 A 0.417000 1.0079 + 4663 SYS 1555 TIP3 O1 C -0.834000 15.9994 + 4664 SYS 1555 TIP3 H1 A 0.417000 1.0079 + 4665 SYS 1555 TIP3 H2 A 0.417000 1.0079 + 4666 SYS 1556 TIP3 O1 C -0.834000 15.9994 + 4667 SYS 1556 TIP3 H1 A 0.417000 1.0079 + 4668 SYS 1556 TIP3 H2 A 0.417000 1.0079 + 4669 SYS 1557 TIP3 O1 C -0.834000 15.9994 + 4670 SYS 1557 TIP3 H1 A 0.417000 1.0079 + 4671 SYS 1557 TIP3 H2 A 0.417000 1.0079 + 4672 SYS 1558 TIP3 O1 C -0.834000 15.9994 + 4673 SYS 1558 TIP3 H1 A 0.417000 1.0079 + 4674 SYS 1558 TIP3 H2 A 0.417000 1.0079 + 4675 SYS 1559 TIP3 O1 C -0.834000 15.9994 + 4676 SYS 1559 TIP3 H1 A 0.417000 1.0079 + 4677 SYS 1559 TIP3 H2 A 0.417000 1.0079 + 4678 SYS 1560 TIP3 O1 C -0.834000 15.9994 + 4679 SYS 1560 TIP3 H1 A 0.417000 1.0079 + 4680 SYS 1560 TIP3 H2 A 0.417000 1.0079 + 4681 SYS 1561 TIP3 O1 C -0.834000 15.9994 + 4682 SYS 1561 TIP3 H1 A 0.417000 1.0079 + 4683 SYS 1561 TIP3 H2 A 0.417000 1.0079 + 4684 SYS 1562 TIP3 O1 C -0.834000 15.9994 + 4685 SYS 1562 TIP3 H1 A 0.417000 1.0079 + 4686 SYS 1562 TIP3 H2 A 0.417000 1.0079 + 4687 SYS 1563 TIP3 O1 C -0.834000 15.9994 + 4688 SYS 1563 TIP3 H1 A 0.417000 1.0079 + 4689 SYS 1563 TIP3 H2 A 0.417000 1.0079 + 4690 SYS 1564 TIP3 O1 C -0.834000 15.9994 + 4691 SYS 1564 TIP3 H1 A 0.417000 1.0079 + 4692 SYS 1564 TIP3 H2 A 0.417000 1.0079 + 4693 SYS 1565 TIP3 O1 C -0.834000 15.9994 + 4694 SYS 1565 TIP3 H1 A 0.417000 1.0079 + 4695 SYS 1565 TIP3 H2 A 0.417000 1.0079 + 4696 SYS 1566 TIP3 O1 C -0.834000 15.9994 + 4697 SYS 1566 TIP3 H1 A 0.417000 1.0079 + 4698 SYS 1566 TIP3 H2 A 0.417000 1.0079 + 4699 SYS 1567 TIP3 O1 C -0.834000 15.9994 + 4700 SYS 1567 TIP3 H1 A 0.417000 1.0079 + 4701 SYS 1567 TIP3 H2 A 0.417000 1.0079 + 4702 SYS 1568 TIP3 O1 C -0.834000 15.9994 + 4703 SYS 1568 TIP3 H1 A 0.417000 1.0079 + 4704 SYS 1568 TIP3 H2 A 0.417000 1.0079 + 4705 SYS 1569 TIP3 O1 C -0.834000 15.9994 + 4706 SYS 1569 TIP3 H1 A 0.417000 1.0079 + 4707 SYS 1569 TIP3 H2 A 0.417000 1.0079 + 4708 SYS 1570 TIP3 O1 C -0.834000 15.9994 + 4709 SYS 1570 TIP3 H1 A 0.417000 1.0079 + 4710 SYS 1570 TIP3 H2 A 0.417000 1.0079 + 4711 SYS 1571 TIP3 O1 C -0.834000 15.9994 + 4712 SYS 1571 TIP3 H1 A 0.417000 1.0079 + 4713 SYS 1571 TIP3 H2 A 0.417000 1.0079 + 4714 SYS 1572 TIP3 O1 C -0.834000 15.9994 + 4715 SYS 1572 TIP3 H1 A 0.417000 1.0079 + 4716 SYS 1572 TIP3 H2 A 0.417000 1.0079 + 4717 SYS 1573 TIP3 O1 C -0.834000 15.9994 + 4718 SYS 1573 TIP3 H1 A 0.417000 1.0079 + 4719 SYS 1573 TIP3 H2 A 0.417000 1.0079 + 4720 SYS 1574 TIP3 O1 C -0.834000 15.9994 + 4721 SYS 1574 TIP3 H1 A 0.417000 1.0079 + 4722 SYS 1574 TIP3 H2 A 0.417000 1.0079 + 4723 SYS 1575 TIP3 O1 C -0.834000 15.9994 + 4724 SYS 1575 TIP3 H1 A 0.417000 1.0079 + 4725 SYS 1575 TIP3 H2 A 0.417000 1.0079 + 4726 SYS 1576 TIP3 O1 C -0.834000 15.9994 + 4727 SYS 1576 TIP3 H1 A 0.417000 1.0079 + 4728 SYS 1576 TIP3 H2 A 0.417000 1.0079 + 4729 SYS 1577 TIP3 O1 C -0.834000 15.9994 + 4730 SYS 1577 TIP3 H1 A 0.417000 1.0079 + 4731 SYS 1577 TIP3 H2 A 0.417000 1.0079 + 4732 SYS 1578 TIP3 O1 C -0.834000 15.9994 + 4733 SYS 1578 TIP3 H1 A 0.417000 1.0079 + 4734 SYS 1578 TIP3 H2 A 0.417000 1.0079 + 4735 SYS 1579 TIP3 O1 C -0.834000 15.9994 + 4736 SYS 1579 TIP3 H1 A 0.417000 1.0079 + 4737 SYS 1579 TIP3 H2 A 0.417000 1.0079 + 4738 SYS 1580 TIP3 O1 C -0.834000 15.9994 + 4739 SYS 1580 TIP3 H1 A 0.417000 1.0079 + 4740 SYS 1580 TIP3 H2 A 0.417000 1.0079 + 4741 SYS 1581 TIP3 O1 C -0.834000 15.9994 + 4742 SYS 1581 TIP3 H1 A 0.417000 1.0079 + 4743 SYS 1581 TIP3 H2 A 0.417000 1.0079 + 4744 SYS 1582 TIP3 O1 C -0.834000 15.9994 + 4745 SYS 1582 TIP3 H1 A 0.417000 1.0079 + 4746 SYS 1582 TIP3 H2 A 0.417000 1.0079 + 4747 SYS 1583 TIP3 O1 C -0.834000 15.9994 + 4748 SYS 1583 TIP3 H1 A 0.417000 1.0079 + 4749 SYS 1583 TIP3 H2 A 0.417000 1.0079 + 4750 SYS 1584 TIP3 O1 C -0.834000 15.9994 + 4751 SYS 1584 TIP3 H1 A 0.417000 1.0079 + 4752 SYS 1584 TIP3 H2 A 0.417000 1.0079 + 4753 SYS 1585 TIP3 O1 C -0.834000 15.9994 + 4754 SYS 1585 TIP3 H1 A 0.417000 1.0079 + 4755 SYS 1585 TIP3 H2 A 0.417000 1.0079 + 4756 SYS 1586 TIP3 O1 C -0.834000 15.9994 + 4757 SYS 1586 TIP3 H1 A 0.417000 1.0079 + 4758 SYS 1586 TIP3 H2 A 0.417000 1.0079 + 4759 SYS 1587 TIP3 O1 C -0.834000 15.9994 + 4760 SYS 1587 TIP3 H1 A 0.417000 1.0079 + 4761 SYS 1587 TIP3 H2 A 0.417000 1.0079 + 4762 SYS 1588 TIP3 O1 C -0.834000 15.9994 + 4763 SYS 1588 TIP3 H1 A 0.417000 1.0079 + 4764 SYS 1588 TIP3 H2 A 0.417000 1.0079 + 4765 SYS 1589 TIP3 O1 C -0.834000 15.9994 + 4766 SYS 1589 TIP3 H1 A 0.417000 1.0079 + 4767 SYS 1589 TIP3 H2 A 0.417000 1.0079 + 4768 SYS 1590 TIP3 O1 C -0.834000 15.9994 + 4769 SYS 1590 TIP3 H1 A 0.417000 1.0079 + 4770 SYS 1590 TIP3 H2 A 0.417000 1.0079 + 4771 SYS 1591 TIP3 O1 C -0.834000 15.9994 + 4772 SYS 1591 TIP3 H1 A 0.417000 1.0079 + 4773 SYS 1591 TIP3 H2 A 0.417000 1.0079 + 4774 SYS 1592 TIP3 O1 C -0.834000 15.9994 + 4775 SYS 1592 TIP3 H1 A 0.417000 1.0079 + 4776 SYS 1592 TIP3 H2 A 0.417000 1.0079 + 4777 SYS 1593 TIP3 O1 C -0.834000 15.9994 + 4778 SYS 1593 TIP3 H1 A 0.417000 1.0079 + 4779 SYS 1593 TIP3 H2 A 0.417000 1.0079 + 4780 SYS 1594 TIP3 O1 C -0.834000 15.9994 + 4781 SYS 1594 TIP3 H1 A 0.417000 1.0079 + 4782 SYS 1594 TIP3 H2 A 0.417000 1.0079 + 4783 SYS 1595 TIP3 O1 C -0.834000 15.9994 + 4784 SYS 1595 TIP3 H1 A 0.417000 1.0079 + 4785 SYS 1595 TIP3 H2 A 0.417000 1.0079 + 4786 SYS 1596 TIP3 O1 C -0.834000 15.9994 + 4787 SYS 1596 TIP3 H1 A 0.417000 1.0079 + 4788 SYS 1596 TIP3 H2 A 0.417000 1.0079 + 4789 SYS 1597 TIP3 O1 C -0.834000 15.9994 + 4790 SYS 1597 TIP3 H1 A 0.417000 1.0079 + 4791 SYS 1597 TIP3 H2 A 0.417000 1.0079 + 4792 SYS 1598 TIP3 O1 C -0.834000 15.9994 + 4793 SYS 1598 TIP3 H1 A 0.417000 1.0079 + 4794 SYS 1598 TIP3 H2 A 0.417000 1.0079 + 4795 SYS 1599 TIP3 O1 C -0.834000 15.9994 + 4796 SYS 1599 TIP3 H1 A 0.417000 1.0079 + 4797 SYS 1599 TIP3 H2 A 0.417000 1.0079 + 4798 SYS 1600 TIP3 O1 C -0.834000 15.9994 + 4799 SYS 1600 TIP3 H1 A 0.417000 1.0079 + 4800 SYS 1600 TIP3 H2 A 0.417000 1.0079 + 4801 SYS 1601 TIP3 O1 C -0.834000 15.9994 + 4802 SYS 1601 TIP3 H1 A 0.417000 1.0079 + 4803 SYS 1601 TIP3 H2 A 0.417000 1.0079 + 4804 SYS 1602 TIP3 O1 C -0.834000 15.9994 + 4805 SYS 1602 TIP3 H1 A 0.417000 1.0079 + 4806 SYS 1602 TIP3 H2 A 0.417000 1.0079 + 4807 SYS 1603 TIP3 O1 C -0.834000 15.9994 + 4808 SYS 1603 TIP3 H1 A 0.417000 1.0079 + 4809 SYS 1603 TIP3 H2 A 0.417000 1.0079 + 4810 SYS 1604 TIP3 O1 C -0.834000 15.9994 + 4811 SYS 1604 TIP3 H1 A 0.417000 1.0079 + 4812 SYS 1604 TIP3 H2 A 0.417000 1.0079 + 4813 SYS 1605 TIP3 O1 C -0.834000 15.9994 + 4814 SYS 1605 TIP3 H1 A 0.417000 1.0079 + 4815 SYS 1605 TIP3 H2 A 0.417000 1.0079 + 4816 SYS 1606 TIP3 O1 C -0.834000 15.9994 + 4817 SYS 1606 TIP3 H1 A 0.417000 1.0079 + 4818 SYS 1606 TIP3 H2 A 0.417000 1.0079 + 4819 SYS 1607 TIP3 O1 C -0.834000 15.9994 + 4820 SYS 1607 TIP3 H1 A 0.417000 1.0079 + 4821 SYS 1607 TIP3 H2 A 0.417000 1.0079 + 4822 SYS 1608 TIP3 O1 C -0.834000 15.9994 + 4823 SYS 1608 TIP3 H1 A 0.417000 1.0079 + 4824 SYS 1608 TIP3 H2 A 0.417000 1.0079 + 4825 SYS 1609 TIP3 O1 C -0.834000 15.9994 + 4826 SYS 1609 TIP3 H1 A 0.417000 1.0079 + 4827 SYS 1609 TIP3 H2 A 0.417000 1.0079 + 4828 SYS 1610 TIP3 O1 C -0.834000 15.9994 + 4829 SYS 1610 TIP3 H1 A 0.417000 1.0079 + 4830 SYS 1610 TIP3 H2 A 0.417000 1.0079 + 4831 SYS 1611 TIP3 O1 C -0.834000 15.9994 + 4832 SYS 1611 TIP3 H1 A 0.417000 1.0079 + 4833 SYS 1611 TIP3 H2 A 0.417000 1.0079 + 4834 SYS 1612 TIP3 O1 C -0.834000 15.9994 + 4835 SYS 1612 TIP3 H1 A 0.417000 1.0079 + 4836 SYS 1612 TIP3 H2 A 0.417000 1.0079 + 4837 SYS 1613 TIP3 O1 C -0.834000 15.9994 + 4838 SYS 1613 TIP3 H1 A 0.417000 1.0079 + 4839 SYS 1613 TIP3 H2 A 0.417000 1.0079 + 4840 SYS 1614 TIP3 O1 C -0.834000 15.9994 + 4841 SYS 1614 TIP3 H1 A 0.417000 1.0079 + 4842 SYS 1614 TIP3 H2 A 0.417000 1.0079 + 4843 SYS 1615 TIP3 O1 C -0.834000 15.9994 + 4844 SYS 1615 TIP3 H1 A 0.417000 1.0079 + 4845 SYS 1615 TIP3 H2 A 0.417000 1.0079 + 4846 SYS 1616 TIP3 O1 C -0.834000 15.9994 + 4847 SYS 1616 TIP3 H1 A 0.417000 1.0079 + 4848 SYS 1616 TIP3 H2 A 0.417000 1.0079 + 4849 SYS 1617 TIP3 O1 C -0.834000 15.9994 + 4850 SYS 1617 TIP3 H1 A 0.417000 1.0079 + 4851 SYS 1617 TIP3 H2 A 0.417000 1.0079 + 4852 SYS 1618 TIP3 O1 C -0.834000 15.9994 + 4853 SYS 1618 TIP3 H1 A 0.417000 1.0079 + 4854 SYS 1618 TIP3 H2 A 0.417000 1.0079 + 4855 SYS 1619 TIP3 O1 C -0.834000 15.9994 + 4856 SYS 1619 TIP3 H1 A 0.417000 1.0079 + 4857 SYS 1619 TIP3 H2 A 0.417000 1.0079 + 4858 SYS 1620 TIP3 O1 C -0.834000 15.9994 + 4859 SYS 1620 TIP3 H1 A 0.417000 1.0079 + 4860 SYS 1620 TIP3 H2 A 0.417000 1.0079 + 4861 SYS 1621 TIP3 O1 C -0.834000 15.9994 + 4862 SYS 1621 TIP3 H1 A 0.417000 1.0079 + 4863 SYS 1621 TIP3 H2 A 0.417000 1.0079 + 4864 SYS 1622 TIP3 O1 C -0.834000 15.9994 + 4865 SYS 1622 TIP3 H1 A 0.417000 1.0079 + 4866 SYS 1622 TIP3 H2 A 0.417000 1.0079 + 4867 SYS 1623 TIP3 O1 C -0.834000 15.9994 + 4868 SYS 1623 TIP3 H1 A 0.417000 1.0079 + 4869 SYS 1623 TIP3 H2 A 0.417000 1.0079 + 4870 SYS 1624 TIP3 O1 C -0.834000 15.9994 + 4871 SYS 1624 TIP3 H1 A 0.417000 1.0079 + 4872 SYS 1624 TIP3 H2 A 0.417000 1.0079 + 4873 SYS 1625 TIP3 O1 C -0.834000 15.9994 + 4874 SYS 1625 TIP3 H1 A 0.417000 1.0079 + 4875 SYS 1625 TIP3 H2 A 0.417000 1.0079 + 4876 SYS 1626 TIP3 O1 C -0.834000 15.9994 + 4877 SYS 1626 TIP3 H1 A 0.417000 1.0079 + 4878 SYS 1626 TIP3 H2 A 0.417000 1.0079 + 4879 SYS 1627 TIP3 O1 C -0.834000 15.9994 + 4880 SYS 1627 TIP3 H1 A 0.417000 1.0079 + 4881 SYS 1627 TIP3 H2 A 0.417000 1.0079 + 4882 SYS 1628 TIP3 O1 C -0.834000 15.9994 + 4883 SYS 1628 TIP3 H1 A 0.417000 1.0079 + 4884 SYS 1628 TIP3 H2 A 0.417000 1.0079 + 4885 SYS 1629 TIP3 O1 C -0.834000 15.9994 + 4886 SYS 1629 TIP3 H1 A 0.417000 1.0079 + 4887 SYS 1629 TIP3 H2 A 0.417000 1.0079 + 4888 SYS 1630 TIP3 O1 C -0.834000 15.9994 + 4889 SYS 1630 TIP3 H1 A 0.417000 1.0079 + 4890 SYS 1630 TIP3 H2 A 0.417000 1.0079 + 4891 SYS 1631 TIP3 O1 C -0.834000 15.9994 + 4892 SYS 1631 TIP3 H1 A 0.417000 1.0079 + 4893 SYS 1631 TIP3 H2 A 0.417000 1.0079 + 4894 SYS 1632 TIP3 O1 C -0.834000 15.9994 + 4895 SYS 1632 TIP3 H1 A 0.417000 1.0079 + 4896 SYS 1632 TIP3 H2 A 0.417000 1.0079 + 4897 SYS 1633 TIP3 O1 C -0.834000 15.9994 + 4898 SYS 1633 TIP3 H1 A 0.417000 1.0079 + 4899 SYS 1633 TIP3 H2 A 0.417000 1.0079 + 4900 SYS 1634 TIP3 O1 C -0.834000 15.9994 + 4901 SYS 1634 TIP3 H1 A 0.417000 1.0079 + 4902 SYS 1634 TIP3 H2 A 0.417000 1.0079 + 4903 SYS 1635 TIP3 O1 C -0.834000 15.9994 + 4904 SYS 1635 TIP3 H1 A 0.417000 1.0079 + 4905 SYS 1635 TIP3 H2 A 0.417000 1.0079 + 4906 SYS 1636 TIP3 O1 C -0.834000 15.9994 + 4907 SYS 1636 TIP3 H1 A 0.417000 1.0079 + 4908 SYS 1636 TIP3 H2 A 0.417000 1.0079 + 4909 SYS 1637 TIP3 O1 C -0.834000 15.9994 + 4910 SYS 1637 TIP3 H1 A 0.417000 1.0079 + 4911 SYS 1637 TIP3 H2 A 0.417000 1.0079 + 4912 SYS 1638 TIP3 O1 C -0.834000 15.9994 + 4913 SYS 1638 TIP3 H1 A 0.417000 1.0079 + 4914 SYS 1638 TIP3 H2 A 0.417000 1.0079 + 4915 SYS 1639 TIP3 O1 C -0.834000 15.9994 + 4916 SYS 1639 TIP3 H1 A 0.417000 1.0079 + 4917 SYS 1639 TIP3 H2 A 0.417000 1.0079 + 4918 SYS 1640 TIP3 O1 C -0.834000 15.9994 + 4919 SYS 1640 TIP3 H1 A 0.417000 1.0079 + 4920 SYS 1640 TIP3 H2 A 0.417000 1.0079 + 4921 SYS 1641 TIP3 O1 C -0.834000 15.9994 + 4922 SYS 1641 TIP3 H1 A 0.417000 1.0079 + 4923 SYS 1641 TIP3 H2 A 0.417000 1.0079 + 4924 SYS 1642 TIP3 O1 C -0.834000 15.9994 + 4925 SYS 1642 TIP3 H1 A 0.417000 1.0079 + 4926 SYS 1642 TIP3 H2 A 0.417000 1.0079 + 4927 SYS 1643 TIP3 O1 C -0.834000 15.9994 + 4928 SYS 1643 TIP3 H1 A 0.417000 1.0079 + 4929 SYS 1643 TIP3 H2 A 0.417000 1.0079 + 4930 SYS 1644 TIP3 O1 C -0.834000 15.9994 + 4931 SYS 1644 TIP3 H1 A 0.417000 1.0079 + 4932 SYS 1644 TIP3 H2 A 0.417000 1.0079 + 4933 SYS 1645 TIP3 O1 C -0.834000 15.9994 + 4934 SYS 1645 TIP3 H1 A 0.417000 1.0079 + 4935 SYS 1645 TIP3 H2 A 0.417000 1.0079 + 4936 SYS 1646 TIP3 O1 C -0.834000 15.9994 + 4937 SYS 1646 TIP3 H1 A 0.417000 1.0079 + 4938 SYS 1646 TIP3 H2 A 0.417000 1.0079 + 4939 SYS 1647 TIP3 O1 C -0.834000 15.9994 + 4940 SYS 1647 TIP3 H1 A 0.417000 1.0079 + 4941 SYS 1647 TIP3 H2 A 0.417000 1.0079 + 4942 SYS 1648 TIP3 O1 C -0.834000 15.9994 + 4943 SYS 1648 TIP3 H1 A 0.417000 1.0079 + 4944 SYS 1648 TIP3 H2 A 0.417000 1.0079 + 4945 SYS 1649 TIP3 O1 C -0.834000 15.9994 + 4946 SYS 1649 TIP3 H1 A 0.417000 1.0079 + 4947 SYS 1649 TIP3 H2 A 0.417000 1.0079 + 4948 SYS 1650 TIP3 O1 C -0.834000 15.9994 + 4949 SYS 1650 TIP3 H1 A 0.417000 1.0079 + 4950 SYS 1650 TIP3 H2 A 0.417000 1.0079 + 4951 SYS 1651 TIP3 O1 C -0.834000 15.9994 + 4952 SYS 1651 TIP3 H1 A 0.417000 1.0079 + 4953 SYS 1651 TIP3 H2 A 0.417000 1.0079 + 4954 SYS 1652 TIP3 O1 C -0.834000 15.9994 + 4955 SYS 1652 TIP3 H1 A 0.417000 1.0079 + 4956 SYS 1652 TIP3 H2 A 0.417000 1.0079 + 4957 SYS 1653 TIP3 O1 C -0.834000 15.9994 + 4958 SYS 1653 TIP3 H1 A 0.417000 1.0079 + 4959 SYS 1653 TIP3 H2 A 0.417000 1.0079 + 4960 SYS 1654 TIP3 O1 C -0.834000 15.9994 + 4961 SYS 1654 TIP3 H1 A 0.417000 1.0079 + 4962 SYS 1654 TIP3 H2 A 0.417000 1.0079 + 4963 SYS 1655 TIP3 O1 C -0.834000 15.9994 + 4964 SYS 1655 TIP3 H1 A 0.417000 1.0079 + 4965 SYS 1655 TIP3 H2 A 0.417000 1.0079 + 4966 SYS 1656 TIP3 O1 C -0.834000 15.9994 + 4967 SYS 1656 TIP3 H1 A 0.417000 1.0079 + 4968 SYS 1656 TIP3 H2 A 0.417000 1.0079 + 4969 SYS 1657 TIP3 O1 C -0.834000 15.9994 + 4970 SYS 1657 TIP3 H1 A 0.417000 1.0079 + 4971 SYS 1657 TIP3 H2 A 0.417000 1.0079 + 4972 SYS 1658 TIP3 O1 C -0.834000 15.9994 + 4973 SYS 1658 TIP3 H1 A 0.417000 1.0079 + 4974 SYS 1658 TIP3 H2 A 0.417000 1.0079 + 4975 SYS 1659 TIP3 O1 C -0.834000 15.9994 + 4976 SYS 1659 TIP3 H1 A 0.417000 1.0079 + 4977 SYS 1659 TIP3 H2 A 0.417000 1.0079 + 4978 SYS 1660 TIP3 O1 C -0.834000 15.9994 + 4979 SYS 1660 TIP3 H1 A 0.417000 1.0079 + 4980 SYS 1660 TIP3 H2 A 0.417000 1.0079 + 4981 SYS 1661 TIP3 O1 C -0.834000 15.9994 + 4982 SYS 1661 TIP3 H1 A 0.417000 1.0079 + 4983 SYS 1661 TIP3 H2 A 0.417000 1.0079 + 4984 SYS 1662 TIP3 O1 C -0.834000 15.9994 + 4985 SYS 1662 TIP3 H1 A 0.417000 1.0079 + 4986 SYS 1662 TIP3 H2 A 0.417000 1.0079 + 4987 SYS 1663 TIP3 O1 C -0.834000 15.9994 + 4988 SYS 1663 TIP3 H1 A 0.417000 1.0079 + 4989 SYS 1663 TIP3 H2 A 0.417000 1.0079 + 4990 SYS 1664 TIP3 O1 C -0.834000 15.9994 + 4991 SYS 1664 TIP3 H1 A 0.417000 1.0079 + 4992 SYS 1664 TIP3 H2 A 0.417000 1.0079 + 4993 SYS 1665 TIP3 O1 C -0.834000 15.9994 + 4994 SYS 1665 TIP3 H1 A 0.417000 1.0079 + 4995 SYS 1665 TIP3 H2 A 0.417000 1.0079 + 4996 SYS 1666 TIP3 O1 C -0.834000 15.9994 + 4997 SYS 1666 TIP3 H1 A 0.417000 1.0079 + 4998 SYS 1666 TIP3 H2 A 0.417000 1.0079 + 4999 SYS 1667 TIP3 O1 C -0.834000 15.9994 + 5000 SYS 1667 TIP3 H1 A 0.417000 1.0079 + 5001 SYS 1667 TIP3 H2 A 0.417000 1.0079 + 5002 SYS 1668 TIP3 O1 C -0.834000 15.9994 + 5003 SYS 1668 TIP3 H1 A 0.417000 1.0079 + 5004 SYS 1668 TIP3 H2 A 0.417000 1.0079 + 5005 SYS 1669 TIP3 O1 C -0.834000 15.9994 + 5006 SYS 1669 TIP3 H1 A 0.417000 1.0079 + 5007 SYS 1669 TIP3 H2 A 0.417000 1.0079 + 5008 SYS 1670 TIP3 O1 C -0.834000 15.9994 + 5009 SYS 1670 TIP3 H1 A 0.417000 1.0079 + 5010 SYS 1670 TIP3 H2 A 0.417000 1.0079 + 5011 SYS 1671 TIP3 O1 C -0.834000 15.9994 + 5012 SYS 1671 TIP3 H1 A 0.417000 1.0079 + 5013 SYS 1671 TIP3 H2 A 0.417000 1.0079 + 5014 SYS 1672 TIP3 O1 C -0.834000 15.9994 + 5015 SYS 1672 TIP3 H1 A 0.417000 1.0079 + 5016 SYS 1672 TIP3 H2 A 0.417000 1.0079 + 5017 SYS 1673 TIP3 O1 C -0.834000 15.9994 + 5018 SYS 1673 TIP3 H1 A 0.417000 1.0079 + 5019 SYS 1673 TIP3 H2 A 0.417000 1.0079 + 5020 SYS 1674 TIP3 O1 C -0.834000 15.9994 + 5021 SYS 1674 TIP3 H1 A 0.417000 1.0079 + 5022 SYS 1674 TIP3 H2 A 0.417000 1.0079 + 5023 SYS 1675 TIP3 O1 C -0.834000 15.9994 + 5024 SYS 1675 TIP3 H1 A 0.417000 1.0079 + 5025 SYS 1675 TIP3 H2 A 0.417000 1.0079 + 5026 SYS 1676 TIP3 O1 C -0.834000 15.9994 + 5027 SYS 1676 TIP3 H1 A 0.417000 1.0079 + 5028 SYS 1676 TIP3 H2 A 0.417000 1.0079 + 5029 SYS 1677 TIP3 O1 C -0.834000 15.9994 + 5030 SYS 1677 TIP3 H1 A 0.417000 1.0079 + 5031 SYS 1677 TIP3 H2 A 0.417000 1.0079 + 5032 SYS 1678 TIP3 O1 C -0.834000 15.9994 + 5033 SYS 1678 TIP3 H1 A 0.417000 1.0079 + 5034 SYS 1678 TIP3 H2 A 0.417000 1.0079 + 5035 SYS 1679 TIP3 O1 C -0.834000 15.9994 + 5036 SYS 1679 TIP3 H1 A 0.417000 1.0079 + 5037 SYS 1679 TIP3 H2 A 0.417000 1.0079 + 5038 SYS 1680 TIP3 O1 C -0.834000 15.9994 + 5039 SYS 1680 TIP3 H1 A 0.417000 1.0079 + 5040 SYS 1680 TIP3 H2 A 0.417000 1.0079 + 5041 SYS 1681 TIP3 O1 C -0.834000 15.9994 + 5042 SYS 1681 TIP3 H1 A 0.417000 1.0079 + 5043 SYS 1681 TIP3 H2 A 0.417000 1.0079 + 5044 SYS 1682 TIP3 O1 C -0.834000 15.9994 + 5045 SYS 1682 TIP3 H1 A 0.417000 1.0079 + 5046 SYS 1682 TIP3 H2 A 0.417000 1.0079 + 5047 SYS 1683 TIP3 O1 C -0.834000 15.9994 + 5048 SYS 1683 TIP3 H1 A 0.417000 1.0079 + 5049 SYS 1683 TIP3 H2 A 0.417000 1.0079 + 5050 SYS 1684 TIP3 O1 C -0.834000 15.9994 + 5051 SYS 1684 TIP3 H1 A 0.417000 1.0079 + 5052 SYS 1684 TIP3 H2 A 0.417000 1.0079 + 5053 SYS 1685 TIP3 O1 C -0.834000 15.9994 + 5054 SYS 1685 TIP3 H1 A 0.417000 1.0079 + 5055 SYS 1685 TIP3 H2 A 0.417000 1.0079 + 5056 SYS 1686 TIP3 O1 C -0.834000 15.9994 + 5057 SYS 1686 TIP3 H1 A 0.417000 1.0079 + 5058 SYS 1686 TIP3 H2 A 0.417000 1.0079 + 5059 SYS 1687 TIP3 O1 C -0.834000 15.9994 + 5060 SYS 1687 TIP3 H1 A 0.417000 1.0079 + 5061 SYS 1687 TIP3 H2 A 0.417000 1.0079 + 5062 SYS 1688 TIP3 O1 C -0.834000 15.9994 + 5063 SYS 1688 TIP3 H1 A 0.417000 1.0079 + 5064 SYS 1688 TIP3 H2 A 0.417000 1.0079 + 5065 SYS 1689 TIP3 O1 C -0.834000 15.9994 + 5066 SYS 1689 TIP3 H1 A 0.417000 1.0079 + 5067 SYS 1689 TIP3 H2 A 0.417000 1.0079 + 5068 SYS 1690 TIP3 O1 C -0.834000 15.9994 + 5069 SYS 1690 TIP3 H1 A 0.417000 1.0079 + 5070 SYS 1690 TIP3 H2 A 0.417000 1.0079 + 5071 SYS 1691 TIP3 O1 C -0.834000 15.9994 + 5072 SYS 1691 TIP3 H1 A 0.417000 1.0079 + 5073 SYS 1691 TIP3 H2 A 0.417000 1.0079 + 5074 SYS 1692 TIP3 O1 C -0.834000 15.9994 + 5075 SYS 1692 TIP3 H1 A 0.417000 1.0079 + 5076 SYS 1692 TIP3 H2 A 0.417000 1.0079 + 5077 SYS 1693 TIP3 O1 C -0.834000 15.9994 + 5078 SYS 1693 TIP3 H1 A 0.417000 1.0079 + 5079 SYS 1693 TIP3 H2 A 0.417000 1.0079 + 5080 SYS 1694 TIP3 O1 C -0.834000 15.9994 + 5081 SYS 1694 TIP3 H1 A 0.417000 1.0079 + 5082 SYS 1694 TIP3 H2 A 0.417000 1.0079 + 5083 SYS 1695 TIP3 O1 C -0.834000 15.9994 + 5084 SYS 1695 TIP3 H1 A 0.417000 1.0079 + 5085 SYS 1695 TIP3 H2 A 0.417000 1.0079 + 5086 SYS 1696 TIP3 O1 C -0.834000 15.9994 + 5087 SYS 1696 TIP3 H1 A 0.417000 1.0079 + 5088 SYS 1696 TIP3 H2 A 0.417000 1.0079 + 5089 SYS 1697 TIP3 O1 C -0.834000 15.9994 + 5090 SYS 1697 TIP3 H1 A 0.417000 1.0079 + 5091 SYS 1697 TIP3 H2 A 0.417000 1.0079 + 5092 SYS 1698 TIP3 O1 C -0.834000 15.9994 + 5093 SYS 1698 TIP3 H1 A 0.417000 1.0079 + 5094 SYS 1698 TIP3 H2 A 0.417000 1.0079 + 5095 SYS 1699 TIP3 O1 C -0.834000 15.9994 + 5096 SYS 1699 TIP3 H1 A 0.417000 1.0079 + 5097 SYS 1699 TIP3 H2 A 0.417000 1.0079 + 5098 SYS 1700 TIP3 O1 C -0.834000 15.9994 + 5099 SYS 1700 TIP3 H1 A 0.417000 1.0079 + 5100 SYS 1700 TIP3 H2 A 0.417000 1.0079 + 5101 SYS 1701 TIP3 O1 C -0.834000 15.9994 + 5102 SYS 1701 TIP3 H1 A 0.417000 1.0079 + 5103 SYS 1701 TIP3 H2 A 0.417000 1.0079 + 5104 SYS 1702 TIP3 O1 C -0.834000 15.9994 + 5105 SYS 1702 TIP3 H1 A 0.417000 1.0079 + 5106 SYS 1702 TIP3 H2 A 0.417000 1.0079 + 5107 SYS 1703 TIP3 O1 C -0.834000 15.9994 + 5108 SYS 1703 TIP3 H1 A 0.417000 1.0079 + 5109 SYS 1703 TIP3 H2 A 0.417000 1.0079 + 5110 SYS 1704 TIP3 O1 C -0.834000 15.9994 + 5111 SYS 1704 TIP3 H1 A 0.417000 1.0079 + 5112 SYS 1704 TIP3 H2 A 0.417000 1.0079 + 5113 SYS 1705 TIP3 O1 C -0.834000 15.9994 + 5114 SYS 1705 TIP3 H1 A 0.417000 1.0079 + 5115 SYS 1705 TIP3 H2 A 0.417000 1.0079 + 5116 SYS 1706 TIP3 O1 C -0.834000 15.9994 + 5117 SYS 1706 TIP3 H1 A 0.417000 1.0079 + 5118 SYS 1706 TIP3 H2 A 0.417000 1.0079 + 5119 SYS 1707 TIP3 O1 C -0.834000 15.9994 + 5120 SYS 1707 TIP3 H1 A 0.417000 1.0079 + 5121 SYS 1707 TIP3 H2 A 0.417000 1.0079 + 5122 SYS 1708 TIP3 O1 C -0.834000 15.9994 + 5123 SYS 1708 TIP3 H1 A 0.417000 1.0079 + 5124 SYS 1708 TIP3 H2 A 0.417000 1.0079 + 5125 SYS 1709 TIP3 O1 C -0.834000 15.9994 + 5126 SYS 1709 TIP3 H1 A 0.417000 1.0079 + 5127 SYS 1709 TIP3 H2 A 0.417000 1.0079 + 5128 SYS 1710 TIP3 O1 C -0.834000 15.9994 + 5129 SYS 1710 TIP3 H1 A 0.417000 1.0079 + 5130 SYS 1710 TIP3 H2 A 0.417000 1.0079 + 5131 SYS 1711 TIP3 O1 C -0.834000 15.9994 + 5132 SYS 1711 TIP3 H1 A 0.417000 1.0079 + 5133 SYS 1711 TIP3 H2 A 0.417000 1.0079 + 5134 SYS 1712 TIP3 O1 C -0.834000 15.9994 + 5135 SYS 1712 TIP3 H1 A 0.417000 1.0079 + 5136 SYS 1712 TIP3 H2 A 0.417000 1.0079 + 5137 SYS 1713 TIP3 O1 C -0.834000 15.9994 + 5138 SYS 1713 TIP3 H1 A 0.417000 1.0079 + 5139 SYS 1713 TIP3 H2 A 0.417000 1.0079 + 5140 SYS 1714 TIP3 O1 C -0.834000 15.9994 + 5141 SYS 1714 TIP3 H1 A 0.417000 1.0079 + 5142 SYS 1714 TIP3 H2 A 0.417000 1.0079 + 5143 SYS 1715 TIP3 O1 C -0.834000 15.9994 + 5144 SYS 1715 TIP3 H1 A 0.417000 1.0079 + 5145 SYS 1715 TIP3 H2 A 0.417000 1.0079 + 5146 SYS 1716 TIP3 O1 C -0.834000 15.9994 + 5147 SYS 1716 TIP3 H1 A 0.417000 1.0079 + 5148 SYS 1716 TIP3 H2 A 0.417000 1.0079 + 5149 SYS 1717 TIP3 O1 C -0.834000 15.9994 + 5150 SYS 1717 TIP3 H1 A 0.417000 1.0079 + 5151 SYS 1717 TIP3 H2 A 0.417000 1.0079 + 5152 SYS 1718 TIP3 O1 C -0.834000 15.9994 + 5153 SYS 1718 TIP3 H1 A 0.417000 1.0079 + 5154 SYS 1718 TIP3 H2 A 0.417000 1.0079 + 5155 SYS 1719 TIP3 O1 C -0.834000 15.9994 + 5156 SYS 1719 TIP3 H1 A 0.417000 1.0079 + 5157 SYS 1719 TIP3 H2 A 0.417000 1.0079 + 5158 SYS 1720 TIP3 O1 C -0.834000 15.9994 + 5159 SYS 1720 TIP3 H1 A 0.417000 1.0079 + 5160 SYS 1720 TIP3 H2 A 0.417000 1.0079 + 5161 SYS 1721 TIP3 O1 C -0.834000 15.9994 + 5162 SYS 1721 TIP3 H1 A 0.417000 1.0079 + 5163 SYS 1721 TIP3 H2 A 0.417000 1.0079 + 5164 SYS 1722 TIP3 O1 C -0.834000 15.9994 + 5165 SYS 1722 TIP3 H1 A 0.417000 1.0079 + 5166 SYS 1722 TIP3 H2 A 0.417000 1.0079 + 5167 SYS 1723 TIP3 O1 C -0.834000 15.9994 + 5168 SYS 1723 TIP3 H1 A 0.417000 1.0079 + 5169 SYS 1723 TIP3 H2 A 0.417000 1.0079 + 5170 SYS 1724 TIP3 O1 C -0.834000 15.9994 + 5171 SYS 1724 TIP3 H1 A 0.417000 1.0079 + 5172 SYS 1724 TIP3 H2 A 0.417000 1.0079 + 5173 SYS 1725 TIP3 O1 C -0.834000 15.9994 + 5174 SYS 1725 TIP3 H1 A 0.417000 1.0079 + 5175 SYS 1725 TIP3 H2 A 0.417000 1.0079 + 5176 SYS 1726 TIP3 O1 C -0.834000 15.9994 + 5177 SYS 1726 TIP3 H1 A 0.417000 1.0079 + 5178 SYS 1726 TIP3 H2 A 0.417000 1.0079 + 5179 SYS 1727 TIP3 O1 C -0.834000 15.9994 + 5180 SYS 1727 TIP3 H1 A 0.417000 1.0079 + 5181 SYS 1727 TIP3 H2 A 0.417000 1.0079 + 5182 SYS 1728 TIP3 O1 C -0.834000 15.9994 + 5183 SYS 1728 TIP3 H1 A 0.417000 1.0079 + 5184 SYS 1728 TIP3 H2 A 0.417000 1.0079 + 5185 SYS 1729 TIP3 O1 C -0.834000 15.9994 + 5186 SYS 1729 TIP3 H1 A 0.417000 1.0079 + 5187 SYS 1729 TIP3 H2 A 0.417000 1.0079 + 5188 SYS 1730 TIP3 O1 C -0.834000 15.9994 + 5189 SYS 1730 TIP3 H1 A 0.417000 1.0079 + 5190 SYS 1730 TIP3 H2 A 0.417000 1.0079 + 5191 SYS 1731 TIP3 O1 C -0.834000 15.9994 + 5192 SYS 1731 TIP3 H1 A 0.417000 1.0079 + 5193 SYS 1731 TIP3 H2 A 0.417000 1.0079 + 5194 SYS 1732 TIP3 O1 C -0.834000 15.9994 + 5195 SYS 1732 TIP3 H1 A 0.417000 1.0079 + 5196 SYS 1732 TIP3 H2 A 0.417000 1.0079 + 5197 SYS 1733 TIP3 O1 C -0.834000 15.9994 + 5198 SYS 1733 TIP3 H1 A 0.417000 1.0079 + 5199 SYS 1733 TIP3 H2 A 0.417000 1.0079 + 5200 SYS 1734 TIP3 O1 C -0.834000 15.9994 + 5201 SYS 1734 TIP3 H1 A 0.417000 1.0079 + 5202 SYS 1734 TIP3 H2 A 0.417000 1.0079 + 5203 SYS 1735 TIP3 O1 C -0.834000 15.9994 + 5204 SYS 1735 TIP3 H1 A 0.417000 1.0079 + 5205 SYS 1735 TIP3 H2 A 0.417000 1.0079 + 5206 SYS 1736 TIP3 O1 C -0.834000 15.9994 + 5207 SYS 1736 TIP3 H1 A 0.417000 1.0079 + 5208 SYS 1736 TIP3 H2 A 0.417000 1.0079 + 5209 SYS 1737 TIP3 O1 C -0.834000 15.9994 + 5210 SYS 1737 TIP3 H1 A 0.417000 1.0079 + 5211 SYS 1737 TIP3 H2 A 0.417000 1.0079 + 5212 SYS 1738 TIP3 O1 C -0.834000 15.9994 + 5213 SYS 1738 TIP3 H1 A 0.417000 1.0079 + 5214 SYS 1738 TIP3 H2 A 0.417000 1.0079 + 5215 SYS 1739 TIP3 O1 C -0.834000 15.9994 + 5216 SYS 1739 TIP3 H1 A 0.417000 1.0079 + 5217 SYS 1739 TIP3 H2 A 0.417000 1.0079 + 5218 SYS 1740 TIP3 O1 C -0.834000 15.9994 + 5219 SYS 1740 TIP3 H1 A 0.417000 1.0079 + 5220 SYS 1740 TIP3 H2 A 0.417000 1.0079 + 5221 SYS 1741 TIP3 O1 C -0.834000 15.9994 + 5222 SYS 1741 TIP3 H1 A 0.417000 1.0079 + 5223 SYS 1741 TIP3 H2 A 0.417000 1.0079 + 5224 SYS 1742 TIP3 O1 C -0.834000 15.9994 + 5225 SYS 1742 TIP3 H1 A 0.417000 1.0079 + 5226 SYS 1742 TIP3 H2 A 0.417000 1.0079 + 5227 SYS 1743 TIP3 O1 C -0.834000 15.9994 + 5228 SYS 1743 TIP3 H1 A 0.417000 1.0079 + 5229 SYS 1743 TIP3 H2 A 0.417000 1.0079 + 5230 SYS 1744 TIP3 O1 C -0.834000 15.9994 + 5231 SYS 1744 TIP3 H1 A 0.417000 1.0079 + 5232 SYS 1744 TIP3 H2 A 0.417000 1.0079 + 5233 SYS 1745 TIP3 O1 C -0.834000 15.9994 + 5234 SYS 1745 TIP3 H1 A 0.417000 1.0079 + 5235 SYS 1745 TIP3 H2 A 0.417000 1.0079 + 5236 SYS 1746 TIP3 O1 C -0.834000 15.9994 + 5237 SYS 1746 TIP3 H1 A 0.417000 1.0079 + 5238 SYS 1746 TIP3 H2 A 0.417000 1.0079 + 5239 SYS 1747 TIP3 O1 C -0.834000 15.9994 + 5240 SYS 1747 TIP3 H1 A 0.417000 1.0079 + 5241 SYS 1747 TIP3 H2 A 0.417000 1.0079 + 5242 SYS 1748 TIP3 O1 C -0.834000 15.9994 + 5243 SYS 1748 TIP3 H1 A 0.417000 1.0079 + 5244 SYS 1748 TIP3 H2 A 0.417000 1.0079 + 5245 SYS 1749 TIP3 O1 C -0.834000 15.9994 + 5246 SYS 1749 TIP3 H1 A 0.417000 1.0079 + 5247 SYS 1749 TIP3 H2 A 0.417000 1.0079 + 5248 SYS 1750 TIP3 O1 C -0.834000 15.9994 + 5249 SYS 1750 TIP3 H1 A 0.417000 1.0079 + 5250 SYS 1750 TIP3 H2 A 0.417000 1.0079 + 5251 SYS 1751 TIP3 O1 C -0.834000 15.9994 + 5252 SYS 1751 TIP3 H1 A 0.417000 1.0079 + 5253 SYS 1751 TIP3 H2 A 0.417000 1.0079 + 5254 SYS 1752 TIP3 O1 C -0.834000 15.9994 + 5255 SYS 1752 TIP3 H1 A 0.417000 1.0079 + 5256 SYS 1752 TIP3 H2 A 0.417000 1.0079 + 5257 SYS 1753 TIP3 O1 C -0.834000 15.9994 + 5258 SYS 1753 TIP3 H1 A 0.417000 1.0079 + 5259 SYS 1753 TIP3 H2 A 0.417000 1.0079 + 5260 SYS 1754 TIP3 O1 C -0.834000 15.9994 + 5261 SYS 1754 TIP3 H1 A 0.417000 1.0079 + 5262 SYS 1754 TIP3 H2 A 0.417000 1.0079 + 5263 SYS 1755 TIP3 O1 C -0.834000 15.9994 + 5264 SYS 1755 TIP3 H1 A 0.417000 1.0079 + 5265 SYS 1755 TIP3 H2 A 0.417000 1.0079 + 5266 SYS 1756 TIP3 O1 C -0.834000 15.9994 + 5267 SYS 1756 TIP3 H1 A 0.417000 1.0079 + 5268 SYS 1756 TIP3 H2 A 0.417000 1.0079 + 5269 SYS 1757 TIP3 O1 C -0.834000 15.9994 + 5270 SYS 1757 TIP3 H1 A 0.417000 1.0079 + 5271 SYS 1757 TIP3 H2 A 0.417000 1.0079 + 5272 SYS 1758 TIP3 O1 C -0.834000 15.9994 + 5273 SYS 1758 TIP3 H1 A 0.417000 1.0079 + 5274 SYS 1758 TIP3 H2 A 0.417000 1.0079 + 5275 SYS 1759 TIP3 O1 C -0.834000 15.9994 + 5276 SYS 1759 TIP3 H1 A 0.417000 1.0079 + 5277 SYS 1759 TIP3 H2 A 0.417000 1.0079 + 5278 SYS 1760 TIP3 O1 C -0.834000 15.9994 + 5279 SYS 1760 TIP3 H1 A 0.417000 1.0079 + 5280 SYS 1760 TIP3 H2 A 0.417000 1.0079 + 5281 SYS 1761 TIP3 O1 C -0.834000 15.9994 + 5282 SYS 1761 TIP3 H1 A 0.417000 1.0079 + 5283 SYS 1761 TIP3 H2 A 0.417000 1.0079 + 5284 SYS 1762 TIP3 O1 C -0.834000 15.9994 + 5285 SYS 1762 TIP3 H1 A 0.417000 1.0079 + 5286 SYS 1762 TIP3 H2 A 0.417000 1.0079 + 5287 SYS 1763 TIP3 O1 C -0.834000 15.9994 + 5288 SYS 1763 TIP3 H1 A 0.417000 1.0079 + 5289 SYS 1763 TIP3 H2 A 0.417000 1.0079 + 5290 SYS 1764 TIP3 O1 C -0.834000 15.9994 + 5291 SYS 1764 TIP3 H1 A 0.417000 1.0079 + 5292 SYS 1764 TIP3 H2 A 0.417000 1.0079 + 5293 SYS 1765 TIP3 O1 C -0.834000 15.9994 + 5294 SYS 1765 TIP3 H1 A 0.417000 1.0079 + 5295 SYS 1765 TIP3 H2 A 0.417000 1.0079 + 5296 SYS 1766 TIP3 O1 C -0.834000 15.9994 + 5297 SYS 1766 TIP3 H1 A 0.417000 1.0079 + 5298 SYS 1766 TIP3 H2 A 0.417000 1.0079 + 5299 SYS 1767 TIP3 O1 C -0.834000 15.9994 + 5300 SYS 1767 TIP3 H1 A 0.417000 1.0079 + 5301 SYS 1767 TIP3 H2 A 0.417000 1.0079 + 5302 SYS 1768 TIP3 O1 C -0.834000 15.9994 + 5303 SYS 1768 TIP3 H1 A 0.417000 1.0079 + 5304 SYS 1768 TIP3 H2 A 0.417000 1.0079 + 5305 SYS 1769 TIP3 O1 C -0.834000 15.9994 + 5306 SYS 1769 TIP3 H1 A 0.417000 1.0079 + 5307 SYS 1769 TIP3 H2 A 0.417000 1.0079 + 5308 SYS 1770 TIP3 O1 C -0.834000 15.9994 + 5309 SYS 1770 TIP3 H1 A 0.417000 1.0079 + 5310 SYS 1770 TIP3 H2 A 0.417000 1.0079 + 5311 SYS 1771 TIP3 O1 C -0.834000 15.9994 + 5312 SYS 1771 TIP3 H1 A 0.417000 1.0079 + 5313 SYS 1771 TIP3 H2 A 0.417000 1.0079 + 5314 SYS 1772 TIP3 O1 C -0.834000 15.9994 + 5315 SYS 1772 TIP3 H1 A 0.417000 1.0079 + 5316 SYS 1772 TIP3 H2 A 0.417000 1.0079 + 5317 SYS 1773 TIP3 O1 C -0.834000 15.9994 + 5318 SYS 1773 TIP3 H1 A 0.417000 1.0079 + 5319 SYS 1773 TIP3 H2 A 0.417000 1.0079 + 5320 SYS 1774 TIP3 O1 C -0.834000 15.9994 + 5321 SYS 1774 TIP3 H1 A 0.417000 1.0079 + 5322 SYS 1774 TIP3 H2 A 0.417000 1.0079 + 5323 SYS 1775 TIP3 O1 C -0.834000 15.9994 + 5324 SYS 1775 TIP3 H1 A 0.417000 1.0079 + 5325 SYS 1775 TIP3 H2 A 0.417000 1.0079 + 5326 SYS 1776 TIP3 O1 C -0.834000 15.9994 + 5327 SYS 1776 TIP3 H1 A 0.417000 1.0079 + 5328 SYS 1776 TIP3 H2 A 0.417000 1.0079 + 5329 SYS 1777 TIP3 O1 C -0.834000 15.9994 + 5330 SYS 1777 TIP3 H1 A 0.417000 1.0079 + 5331 SYS 1777 TIP3 H2 A 0.417000 1.0079 + 5332 SYS 1778 TIP3 O1 C -0.834000 15.9994 + 5333 SYS 1778 TIP3 H1 A 0.417000 1.0079 + 5334 SYS 1778 TIP3 H2 A 0.417000 1.0079 + 5335 SYS 1779 TIP3 O1 C -0.834000 15.9994 + 5336 SYS 1779 TIP3 H1 A 0.417000 1.0079 + 5337 SYS 1779 TIP3 H2 A 0.417000 1.0079 + 5338 SYS 1780 TIP3 O1 C -0.834000 15.9994 + 5339 SYS 1780 TIP3 H1 A 0.417000 1.0079 + 5340 SYS 1780 TIP3 H2 A 0.417000 1.0079 + 5341 SYS 1781 TIP3 O1 C -0.834000 15.9994 + 5342 SYS 1781 TIP3 H1 A 0.417000 1.0079 + 5343 SYS 1781 TIP3 H2 A 0.417000 1.0079 + 5344 SYS 1782 TIP3 O1 C -0.834000 15.9994 + 5345 SYS 1782 TIP3 H1 A 0.417000 1.0079 + 5346 SYS 1782 TIP3 H2 A 0.417000 1.0079 + 5347 SYS 1783 TIP3 O1 C -0.834000 15.9994 + 5348 SYS 1783 TIP3 H1 A 0.417000 1.0079 + 5349 SYS 1783 TIP3 H2 A 0.417000 1.0079 + 5350 SYS 1784 TIP3 O1 C -0.834000 15.9994 + 5351 SYS 1784 TIP3 H1 A 0.417000 1.0079 + 5352 SYS 1784 TIP3 H2 A 0.417000 1.0079 + 5353 SYS 1785 TIP3 O1 C -0.834000 15.9994 + 5354 SYS 1785 TIP3 H1 A 0.417000 1.0079 + 5355 SYS 1785 TIP3 H2 A 0.417000 1.0079 + 5356 SYS 1786 TIP3 O1 C -0.834000 15.9994 + 5357 SYS 1786 TIP3 H1 A 0.417000 1.0079 + 5358 SYS 1786 TIP3 H2 A 0.417000 1.0079 + 5359 SYS 1787 TIP3 O1 C -0.834000 15.9994 + 5360 SYS 1787 TIP3 H1 A 0.417000 1.0079 + 5361 SYS 1787 TIP3 H2 A 0.417000 1.0079 + 5362 SYS 1788 TIP3 O1 C -0.834000 15.9994 + 5363 SYS 1788 TIP3 H1 A 0.417000 1.0079 + 5364 SYS 1788 TIP3 H2 A 0.417000 1.0079 + 5365 SYS 1789 TIP3 O1 C -0.834000 15.9994 + 5366 SYS 1789 TIP3 H1 A 0.417000 1.0079 + 5367 SYS 1789 TIP3 H2 A 0.417000 1.0079 + 5368 SYS 1790 TIP3 O1 C -0.834000 15.9994 + 5369 SYS 1790 TIP3 H1 A 0.417000 1.0079 + 5370 SYS 1790 TIP3 H2 A 0.417000 1.0079 + 5371 SYS 1791 TIP3 O1 C -0.834000 15.9994 + 5372 SYS 1791 TIP3 H1 A 0.417000 1.0079 + 5373 SYS 1791 TIP3 H2 A 0.417000 1.0079 + 5374 SYS 1792 TIP3 O1 C -0.834000 15.9994 + 5375 SYS 1792 TIP3 H1 A 0.417000 1.0079 + 5376 SYS 1792 TIP3 H2 A 0.417000 1.0079 + 5377 SYS 1793 TIP3 O1 C -0.834000 15.9994 + 5378 SYS 1793 TIP3 H1 A 0.417000 1.0079 + 5379 SYS 1793 TIP3 H2 A 0.417000 1.0079 + 5380 SYS 1794 TIP3 O1 C -0.834000 15.9994 + 5381 SYS 1794 TIP3 H1 A 0.417000 1.0079 + 5382 SYS 1794 TIP3 H2 A 0.417000 1.0079 + 5383 SYS 1795 TIP3 O1 C -0.834000 15.9994 + 5384 SYS 1795 TIP3 H1 A 0.417000 1.0079 + 5385 SYS 1795 TIP3 H2 A 0.417000 1.0079 + 5386 SYS 1796 TIP3 O1 C -0.834000 15.9994 + 5387 SYS 1796 TIP3 H1 A 0.417000 1.0079 + 5388 SYS 1796 TIP3 H2 A 0.417000 1.0079 + 5389 SYS 1797 TIP3 O1 C -0.834000 15.9994 + 5390 SYS 1797 TIP3 H1 A 0.417000 1.0079 + 5391 SYS 1797 TIP3 H2 A 0.417000 1.0079 + 5392 SYS 1798 TIP3 O1 C -0.834000 15.9994 + 5393 SYS 1798 TIP3 H1 A 0.417000 1.0079 + 5394 SYS 1798 TIP3 H2 A 0.417000 1.0079 + 5395 SYS 1799 TIP3 O1 C -0.834000 15.9994 + 5396 SYS 1799 TIP3 H1 A 0.417000 1.0079 + 5397 SYS 1799 TIP3 H2 A 0.417000 1.0079 + 5398 SYS 1800 TIP3 O1 C -0.834000 15.9994 + 5399 SYS 1800 TIP3 H1 A 0.417000 1.0079 + 5400 SYS 1800 TIP3 H2 A 0.417000 1.0079 + 5401 SYS 1801 TIP3 O1 C -0.834000 15.9994 + 5402 SYS 1801 TIP3 H1 A 0.417000 1.0079 + 5403 SYS 1801 TIP3 H2 A 0.417000 1.0079 + 5404 SYS 1802 TIP3 O1 C -0.834000 15.9994 + 5405 SYS 1802 TIP3 H1 A 0.417000 1.0079 + 5406 SYS 1802 TIP3 H2 A 0.417000 1.0079 + 5407 SYS 1803 TIP3 O1 C -0.834000 15.9994 + 5408 SYS 1803 TIP3 H1 A 0.417000 1.0079 + 5409 SYS 1803 TIP3 H2 A 0.417000 1.0079 + 5410 SYS 1804 TIP3 O1 C -0.834000 15.9994 + 5411 SYS 1804 TIP3 H1 A 0.417000 1.0079 + 5412 SYS 1804 TIP3 H2 A 0.417000 1.0079 + 5413 SYS 1805 TIP3 O1 C -0.834000 15.9994 + 5414 SYS 1805 TIP3 H1 A 0.417000 1.0079 + 5415 SYS 1805 TIP3 H2 A 0.417000 1.0079 + 5416 SYS 1806 TIP3 O1 C -0.834000 15.9994 + 5417 SYS 1806 TIP3 H1 A 0.417000 1.0079 + 5418 SYS 1806 TIP3 H2 A 0.417000 1.0079 + 5419 SYS 1807 TIP3 O1 C -0.834000 15.9994 + 5420 SYS 1807 TIP3 H1 A 0.417000 1.0079 + 5421 SYS 1807 TIP3 H2 A 0.417000 1.0079 + 5422 SYS 1808 TIP3 O1 C -0.834000 15.9994 + 5423 SYS 1808 TIP3 H1 A 0.417000 1.0079 + 5424 SYS 1808 TIP3 H2 A 0.417000 1.0079 + 5425 SYS 1809 TIP3 O1 C -0.834000 15.9994 + 5426 SYS 1809 TIP3 H1 A 0.417000 1.0079 + 5427 SYS 1809 TIP3 H2 A 0.417000 1.0079 + 5428 SYS 1810 TIP3 O1 C -0.834000 15.9994 + 5429 SYS 1810 TIP3 H1 A 0.417000 1.0079 + 5430 SYS 1810 TIP3 H2 A 0.417000 1.0079 + 5431 SYS 1811 TIP3 O1 C -0.834000 15.9994 + 5432 SYS 1811 TIP3 H1 A 0.417000 1.0079 + 5433 SYS 1811 TIP3 H2 A 0.417000 1.0079 + 5434 SYS 1812 TIP3 O1 C -0.834000 15.9994 + 5435 SYS 1812 TIP3 H1 A 0.417000 1.0079 + 5436 SYS 1812 TIP3 H2 A 0.417000 1.0079 + 5437 SYS 1813 TIP3 O1 C -0.834000 15.9994 + 5438 SYS 1813 TIP3 H1 A 0.417000 1.0079 + 5439 SYS 1813 TIP3 H2 A 0.417000 1.0079 + 5440 SYS 1814 TIP3 O1 C -0.834000 15.9994 + 5441 SYS 1814 TIP3 H1 A 0.417000 1.0079 + 5442 SYS 1814 TIP3 H2 A 0.417000 1.0079 + 5443 SYS 1815 TIP3 O1 C -0.834000 15.9994 + 5444 SYS 1815 TIP3 H1 A 0.417000 1.0079 + 5445 SYS 1815 TIP3 H2 A 0.417000 1.0079 + 5446 SYS 1816 TIP3 O1 C -0.834000 15.9994 + 5447 SYS 1816 TIP3 H1 A 0.417000 1.0079 + 5448 SYS 1816 TIP3 H2 A 0.417000 1.0079 + 5449 SYS 1817 TIP3 O1 C -0.834000 15.9994 + 5450 SYS 1817 TIP3 H1 A 0.417000 1.0079 + 5451 SYS 1817 TIP3 H2 A 0.417000 1.0079 + 5452 SYS 1818 TIP3 O1 C -0.834000 15.9994 + 5453 SYS 1818 TIP3 H1 A 0.417000 1.0079 + 5454 SYS 1818 TIP3 H2 A 0.417000 1.0079 + 5455 SYS 1819 TIP3 O1 C -0.834000 15.9994 + 5456 SYS 1819 TIP3 H1 A 0.417000 1.0079 + 5457 SYS 1819 TIP3 H2 A 0.417000 1.0079 + 5458 SYS 1820 TIP3 O1 C -0.834000 15.9994 + 5459 SYS 1820 TIP3 H1 A 0.417000 1.0079 + 5460 SYS 1820 TIP3 H2 A 0.417000 1.0079 + 5461 SYS 1821 TIP3 O1 C -0.834000 15.9994 + 5462 SYS 1821 TIP3 H1 A 0.417000 1.0079 + 5463 SYS 1821 TIP3 H2 A 0.417000 1.0079 + 5464 SYS 1822 TIP3 O1 C -0.834000 15.9994 + 5465 SYS 1822 TIP3 H1 A 0.417000 1.0079 + 5466 SYS 1822 TIP3 H2 A 0.417000 1.0079 + 5467 SYS 1823 TIP3 O1 C -0.834000 15.9994 + 5468 SYS 1823 TIP3 H1 A 0.417000 1.0079 + 5469 SYS 1823 TIP3 H2 A 0.417000 1.0079 + 5470 SYS 1824 TIP3 O1 C -0.834000 15.9994 + 5471 SYS 1824 TIP3 H1 A 0.417000 1.0079 + 5472 SYS 1824 TIP3 H2 A 0.417000 1.0079 + 5473 SYS 1825 TIP3 O1 C -0.834000 15.9994 + 5474 SYS 1825 TIP3 H1 A 0.417000 1.0079 + 5475 SYS 1825 TIP3 H2 A 0.417000 1.0079 + 5476 SYS 1826 TIP3 O1 C -0.834000 15.9994 + 5477 SYS 1826 TIP3 H1 A 0.417000 1.0079 + 5478 SYS 1826 TIP3 H2 A 0.417000 1.0079 + 5479 SYS 1827 TIP3 O1 C -0.834000 15.9994 + 5480 SYS 1827 TIP3 H1 A 0.417000 1.0079 + 5481 SYS 1827 TIP3 H2 A 0.417000 1.0079 + 5482 SYS 1828 TIP3 O1 C -0.834000 15.9994 + 5483 SYS 1828 TIP3 H1 A 0.417000 1.0079 + 5484 SYS 1828 TIP3 H2 A 0.417000 1.0079 + 5485 SYS 1829 TIP3 O1 C -0.834000 15.9994 + 5486 SYS 1829 TIP3 H1 A 0.417000 1.0079 + 5487 SYS 1829 TIP3 H2 A 0.417000 1.0079 + 5488 SYS 1830 TIP3 O1 C -0.834000 15.9994 + 5489 SYS 1830 TIP3 H1 A 0.417000 1.0079 + 5490 SYS 1830 TIP3 H2 A 0.417000 1.0079 + 5491 SYS 1831 TIP3 O1 C -0.834000 15.9994 + 5492 SYS 1831 TIP3 H1 A 0.417000 1.0079 + 5493 SYS 1831 TIP3 H2 A 0.417000 1.0079 + 5494 SYS 1832 TIP3 O1 C -0.834000 15.9994 + 5495 SYS 1832 TIP3 H1 A 0.417000 1.0079 + 5496 SYS 1832 TIP3 H2 A 0.417000 1.0079 + 5497 SYS 1833 TIP3 O1 C -0.834000 15.9994 + 5498 SYS 1833 TIP3 H1 A 0.417000 1.0079 + 5499 SYS 1833 TIP3 H2 A 0.417000 1.0079 + 5500 SYS 1834 TIP3 O1 C -0.834000 15.9994 + 5501 SYS 1834 TIP3 H1 A 0.417000 1.0079 + 5502 SYS 1834 TIP3 H2 A 0.417000 1.0079 + 5503 SYS 1835 TIP3 O1 C -0.834000 15.9994 + 5504 SYS 1835 TIP3 H1 A 0.417000 1.0079 + 5505 SYS 1835 TIP3 H2 A 0.417000 1.0079 + 5506 SYS 1836 TIP3 O1 C -0.834000 15.9994 + 5507 SYS 1836 TIP3 H1 A 0.417000 1.0079 + 5508 SYS 1836 TIP3 H2 A 0.417000 1.0079 + 5509 SYS 1837 TIP3 O1 C -0.834000 15.9994 + 5510 SYS 1837 TIP3 H1 A 0.417000 1.0079 + 5511 SYS 1837 TIP3 H2 A 0.417000 1.0079 + 5512 SYS 1838 TIP3 O1 C -0.834000 15.9994 + 5513 SYS 1838 TIP3 H1 A 0.417000 1.0079 + 5514 SYS 1838 TIP3 H2 A 0.417000 1.0079 + 5515 SYS 1839 TIP3 O1 C -0.834000 15.9994 + 5516 SYS 1839 TIP3 H1 A 0.417000 1.0079 + 5517 SYS 1839 TIP3 H2 A 0.417000 1.0079 + 5518 SYS 1840 TIP3 O1 C -0.834000 15.9994 + 5519 SYS 1840 TIP3 H1 A 0.417000 1.0079 + 5520 SYS 1840 TIP3 H2 A 0.417000 1.0079 + 5521 SYS 1841 TIP3 O1 C -0.834000 15.9994 + 5522 SYS 1841 TIP3 H1 A 0.417000 1.0079 + 5523 SYS 1841 TIP3 H2 A 0.417000 1.0079 + 5524 SYS 1842 TIP3 O1 C -0.834000 15.9994 + 5525 SYS 1842 TIP3 H1 A 0.417000 1.0079 + 5526 SYS 1842 TIP3 H2 A 0.417000 1.0079 + 5527 SYS 1843 TIP3 O1 C -0.834000 15.9994 + 5528 SYS 1843 TIP3 H1 A 0.417000 1.0079 + 5529 SYS 1843 TIP3 H2 A 0.417000 1.0079 + 5530 SYS 1844 TIP3 O1 C -0.834000 15.9994 + 5531 SYS 1844 TIP3 H1 A 0.417000 1.0079 + 5532 SYS 1844 TIP3 H2 A 0.417000 1.0079 + 5533 SYS 1845 TIP3 O1 C -0.834000 15.9994 + 5534 SYS 1845 TIP3 H1 A 0.417000 1.0079 + 5535 SYS 1845 TIP3 H2 A 0.417000 1.0079 + 5536 SYS 1846 TIP3 O1 C -0.834000 15.9994 + 5537 SYS 1846 TIP3 H1 A 0.417000 1.0079 + 5538 SYS 1846 TIP3 H2 A 0.417000 1.0079 + 5539 SYS 1847 TIP3 O1 C -0.834000 15.9994 + 5540 SYS 1847 TIP3 H1 A 0.417000 1.0079 + 5541 SYS 1847 TIP3 H2 A 0.417000 1.0079 + 5542 SYS 1848 TIP3 O1 C -0.834000 15.9994 + 5543 SYS 1848 TIP3 H1 A 0.417000 1.0079 + 5544 SYS 1848 TIP3 H2 A 0.417000 1.0079 + 5545 SYS 1849 TIP3 O1 C -0.834000 15.9994 + 5546 SYS 1849 TIP3 H1 A 0.417000 1.0079 + 5547 SYS 1849 TIP3 H2 A 0.417000 1.0079 + 5548 SYS 1850 TIP3 O1 C -0.834000 15.9994 + 5549 SYS 1850 TIP3 H1 A 0.417000 1.0079 + 5550 SYS 1850 TIP3 H2 A 0.417000 1.0079 + 5551 SYS 1851 TIP3 O1 C -0.834000 15.9994 + 5552 SYS 1851 TIP3 H1 A 0.417000 1.0079 + 5553 SYS 1851 TIP3 H2 A 0.417000 1.0079 + 5554 SYS 1852 TIP3 O1 C -0.834000 15.9994 + 5555 SYS 1852 TIP3 H1 A 0.417000 1.0079 + 5556 SYS 1852 TIP3 H2 A 0.417000 1.0079 + 5557 SYS 1853 TIP3 O1 C -0.834000 15.9994 + 5558 SYS 1853 TIP3 H1 A 0.417000 1.0079 + 5559 SYS 1853 TIP3 H2 A 0.417000 1.0079 + 5560 SYS 1854 TIP3 O1 C -0.834000 15.9994 + 5561 SYS 1854 TIP3 H1 A 0.417000 1.0079 + 5562 SYS 1854 TIP3 H2 A 0.417000 1.0079 + 5563 SYS 1855 TIP3 O1 C -0.834000 15.9994 + 5564 SYS 1855 TIP3 H1 A 0.417000 1.0079 + 5565 SYS 1855 TIP3 H2 A 0.417000 1.0079 + 5566 SYS 1856 TIP3 O1 C -0.834000 15.9994 + 5567 SYS 1856 TIP3 H1 A 0.417000 1.0079 + 5568 SYS 1856 TIP3 H2 A 0.417000 1.0079 + 5569 SYS 1857 TIP3 O1 C -0.834000 15.9994 + 5570 SYS 1857 TIP3 H1 A 0.417000 1.0079 + 5571 SYS 1857 TIP3 H2 A 0.417000 1.0079 + 5572 SYS 1858 TIP3 O1 C -0.834000 15.9994 + 5573 SYS 1858 TIP3 H1 A 0.417000 1.0079 + 5574 SYS 1858 TIP3 H2 A 0.417000 1.0079 + 5575 SYS 1859 TIP3 O1 C -0.834000 15.9994 + 5576 SYS 1859 TIP3 H1 A 0.417000 1.0079 + 5577 SYS 1859 TIP3 H2 A 0.417000 1.0079 + 5578 SYS 1860 TIP3 O1 C -0.834000 15.9994 + 5579 SYS 1860 TIP3 H1 A 0.417000 1.0079 + 5580 SYS 1860 TIP3 H2 A 0.417000 1.0079 + 5581 SYS 1861 TIP3 O1 C -0.834000 15.9994 + 5582 SYS 1861 TIP3 H1 A 0.417000 1.0079 + 5583 SYS 1861 TIP3 H2 A 0.417000 1.0079 + 5584 SYS 1862 TIP3 O1 C -0.834000 15.9994 + 5585 SYS 1862 TIP3 H1 A 0.417000 1.0079 + 5586 SYS 1862 TIP3 H2 A 0.417000 1.0079 + 5587 SYS 1863 TIP3 O1 C -0.834000 15.9994 + 5588 SYS 1863 TIP3 H1 A 0.417000 1.0079 + 5589 SYS 1863 TIP3 H2 A 0.417000 1.0079 + 5590 SYS 1864 TIP3 O1 C -0.834000 15.9994 + 5591 SYS 1864 TIP3 H1 A 0.417000 1.0079 + 5592 SYS 1864 TIP3 H2 A 0.417000 1.0079 + 5593 SYS 1865 TIP3 O1 C -0.834000 15.9994 + 5594 SYS 1865 TIP3 H1 A 0.417000 1.0079 + 5595 SYS 1865 TIP3 H2 A 0.417000 1.0079 + 5596 SYS 1866 TIP3 O1 C -0.834000 15.9994 + 5597 SYS 1866 TIP3 H1 A 0.417000 1.0079 + 5598 SYS 1866 TIP3 H2 A 0.417000 1.0079 + 5599 SYS 1867 TIP3 O1 C -0.834000 15.9994 + 5600 SYS 1867 TIP3 H1 A 0.417000 1.0079 + 5601 SYS 1867 TIP3 H2 A 0.417000 1.0079 + 5602 SYS 1868 TIP3 O1 C -0.834000 15.9994 + 5603 SYS 1868 TIP3 H1 A 0.417000 1.0079 + 5604 SYS 1868 TIP3 H2 A 0.417000 1.0079 + 5605 SYS 1869 TIP3 O1 C -0.834000 15.9994 + 5606 SYS 1869 TIP3 H1 A 0.417000 1.0079 + 5607 SYS 1869 TIP3 H2 A 0.417000 1.0079 + 5608 SYS 1870 TIP3 O1 C -0.834000 15.9994 + 5609 SYS 1870 TIP3 H1 A 0.417000 1.0079 + 5610 SYS 1870 TIP3 H2 A 0.417000 1.0079 + 5611 SYS 1871 TIP3 O1 C -0.834000 15.9994 + 5612 SYS 1871 TIP3 H1 A 0.417000 1.0079 + 5613 SYS 1871 TIP3 H2 A 0.417000 1.0079 + 5614 SYS 1872 TIP3 O1 C -0.834000 15.9994 + 5615 SYS 1872 TIP3 H1 A 0.417000 1.0079 + 5616 SYS 1872 TIP3 H2 A 0.417000 1.0079 + 5617 SYS 1873 TIP3 O1 C -0.834000 15.9994 + 5618 SYS 1873 TIP3 H1 A 0.417000 1.0079 + 5619 SYS 1873 TIP3 H2 A 0.417000 1.0079 + 5620 SYS 1874 TIP3 O1 C -0.834000 15.9994 + 5621 SYS 1874 TIP3 H1 A 0.417000 1.0079 + 5622 SYS 1874 TIP3 H2 A 0.417000 1.0079 + 5623 SYS 1875 TIP3 O1 C -0.834000 15.9994 + 5624 SYS 1875 TIP3 H1 A 0.417000 1.0079 + 5625 SYS 1875 TIP3 H2 A 0.417000 1.0079 + 5626 SYS 1876 TIP3 O1 C -0.834000 15.9994 + 5627 SYS 1876 TIP3 H1 A 0.417000 1.0079 + 5628 SYS 1876 TIP3 H2 A 0.417000 1.0079 + 5629 SYS 1877 TIP3 O1 C -0.834000 15.9994 + 5630 SYS 1877 TIP3 H1 A 0.417000 1.0079 + 5631 SYS 1877 TIP3 H2 A 0.417000 1.0079 + 5632 SYS 1878 TIP3 O1 C -0.834000 15.9994 + 5633 SYS 1878 TIP3 H1 A 0.417000 1.0079 + 5634 SYS 1878 TIP3 H2 A 0.417000 1.0079 + 5635 SYS 1879 TIP3 O1 C -0.834000 15.9994 + 5636 SYS 1879 TIP3 H1 A 0.417000 1.0079 + 5637 SYS 1879 TIP3 H2 A 0.417000 1.0079 + 5638 SYS 1880 TIP3 O1 C -0.834000 15.9994 + 5639 SYS 1880 TIP3 H1 A 0.417000 1.0079 + 5640 SYS 1880 TIP3 H2 A 0.417000 1.0079 + 5641 SYS 1881 TIP3 O1 C -0.834000 15.9994 + 5642 SYS 1881 TIP3 H1 A 0.417000 1.0079 + 5643 SYS 1881 TIP3 H2 A 0.417000 1.0079 + 5644 SYS 1882 TIP3 O1 C -0.834000 15.9994 + 5645 SYS 1882 TIP3 H1 A 0.417000 1.0079 + 5646 SYS 1882 TIP3 H2 A 0.417000 1.0079 + 5647 SYS 1883 TIP3 O1 C -0.834000 15.9994 + 5648 SYS 1883 TIP3 H1 A 0.417000 1.0079 + 5649 SYS 1883 TIP3 H2 A 0.417000 1.0079 + 5650 SYS 1884 TIP3 O1 C -0.834000 15.9994 + 5651 SYS 1884 TIP3 H1 A 0.417000 1.0079 + 5652 SYS 1884 TIP3 H2 A 0.417000 1.0079 + 5653 SYS 1885 TIP3 O1 C -0.834000 15.9994 + 5654 SYS 1885 TIP3 H1 A 0.417000 1.0079 + 5655 SYS 1885 TIP3 H2 A 0.417000 1.0079 + 5656 SYS 1886 TIP3 O1 C -0.834000 15.9994 + 5657 SYS 1886 TIP3 H1 A 0.417000 1.0079 + 5658 SYS 1886 TIP3 H2 A 0.417000 1.0079 + 5659 SYS 1887 TIP3 O1 C -0.834000 15.9994 + 5660 SYS 1887 TIP3 H1 A 0.417000 1.0079 + 5661 SYS 1887 TIP3 H2 A 0.417000 1.0079 + 5662 SYS 1888 TIP3 O1 C -0.834000 15.9994 + 5663 SYS 1888 TIP3 H1 A 0.417000 1.0079 + 5664 SYS 1888 TIP3 H2 A 0.417000 1.0079 + 5665 SYS 1889 TIP3 O1 C -0.834000 15.9994 + 5666 SYS 1889 TIP3 H1 A 0.417000 1.0079 + 5667 SYS 1889 TIP3 H2 A 0.417000 1.0079 + 5668 SYS 1890 TIP3 O1 C -0.834000 15.9994 + 5669 SYS 1890 TIP3 H1 A 0.417000 1.0079 + 5670 SYS 1890 TIP3 H2 A 0.417000 1.0079 + 5671 SYS 1891 TIP3 O1 C -0.834000 15.9994 + 5672 SYS 1891 TIP3 H1 A 0.417000 1.0079 + 5673 SYS 1891 TIP3 H2 A 0.417000 1.0079 + 5674 SYS 1892 TIP3 O1 C -0.834000 15.9994 + 5675 SYS 1892 TIP3 H1 A 0.417000 1.0079 + 5676 SYS 1892 TIP3 H2 A 0.417000 1.0079 + 5677 SYS 1893 TIP3 O1 C -0.834000 15.9994 + 5678 SYS 1893 TIP3 H1 A 0.417000 1.0079 + 5679 SYS 1893 TIP3 H2 A 0.417000 1.0079 + 5680 SYS 1894 TIP3 O1 C -0.834000 15.9994 + 5681 SYS 1894 TIP3 H1 A 0.417000 1.0079 + 5682 SYS 1894 TIP3 H2 A 0.417000 1.0079 + 5683 SYS 1895 TIP3 O1 C -0.834000 15.9994 + 5684 SYS 1895 TIP3 H1 A 0.417000 1.0079 + 5685 SYS 1895 TIP3 H2 A 0.417000 1.0079 + 5686 SYS 1896 TIP3 O1 C -0.834000 15.9994 + 5687 SYS 1896 TIP3 H1 A 0.417000 1.0079 + 5688 SYS 1896 TIP3 H2 A 0.417000 1.0079 + 5689 SYS 1897 TIP3 O1 C -0.834000 15.9994 + 5690 SYS 1897 TIP3 H1 A 0.417000 1.0079 + 5691 SYS 1897 TIP3 H2 A 0.417000 1.0079 + 5692 SYS 1898 TIP3 O1 C -0.834000 15.9994 + 5693 SYS 1898 TIP3 H1 A 0.417000 1.0079 + 5694 SYS 1898 TIP3 H2 A 0.417000 1.0079 + 5695 SYS 1899 TIP3 O1 C -0.834000 15.9994 + 5696 SYS 1899 TIP3 H1 A 0.417000 1.0079 + 5697 SYS 1899 TIP3 H2 A 0.417000 1.0079 + 5698 SYS 1900 TIP3 O1 C -0.834000 15.9994 + 5699 SYS 1900 TIP3 H1 A 0.417000 1.0079 + 5700 SYS 1900 TIP3 H2 A 0.417000 1.0079 + 5701 SYS 1901 TIP3 O1 C -0.834000 15.9994 + 5702 SYS 1901 TIP3 H1 A 0.417000 1.0079 + 5703 SYS 1901 TIP3 H2 A 0.417000 1.0079 + 5704 SYS 1902 TIP3 O1 C -0.834000 15.9994 + 5705 SYS 1902 TIP3 H1 A 0.417000 1.0079 + 5706 SYS 1902 TIP3 H2 A 0.417000 1.0079 + 5707 SYS 1903 TIP3 O1 C -0.834000 15.9994 + 5708 SYS 1903 TIP3 H1 A 0.417000 1.0079 + 5709 SYS 1903 TIP3 H2 A 0.417000 1.0079 + 5710 SYS 1904 TIP3 O1 C -0.834000 15.9994 + 5711 SYS 1904 TIP3 H1 A 0.417000 1.0079 + 5712 SYS 1904 TIP3 H2 A 0.417000 1.0079 + 5713 SYS 1905 TIP3 O1 C -0.834000 15.9994 + 5714 SYS 1905 TIP3 H1 A 0.417000 1.0079 + 5715 SYS 1905 TIP3 H2 A 0.417000 1.0079 + 5716 SYS 1906 TIP3 O1 C -0.834000 15.9994 + 5717 SYS 1906 TIP3 H1 A 0.417000 1.0079 + 5718 SYS 1906 TIP3 H2 A 0.417000 1.0079 + 5719 SYS 1907 TIP3 O1 C -0.834000 15.9994 + 5720 SYS 1907 TIP3 H1 A 0.417000 1.0079 + 5721 SYS 1907 TIP3 H2 A 0.417000 1.0079 + 5722 SYS 1908 TIP3 O1 C -0.834000 15.9994 + 5723 SYS 1908 TIP3 H1 A 0.417000 1.0079 + 5724 SYS 1908 TIP3 H2 A 0.417000 1.0079 + 5725 SYS 1909 TIP3 O1 C -0.834000 15.9994 + 5726 SYS 1909 TIP3 H1 A 0.417000 1.0079 + 5727 SYS 1909 TIP3 H2 A 0.417000 1.0079 + 5728 SYS 1910 TIP3 O1 C -0.834000 15.9994 + 5729 SYS 1910 TIP3 H1 A 0.417000 1.0079 + 5730 SYS 1910 TIP3 H2 A 0.417000 1.0079 + 5731 SYS 1911 TIP3 O1 C -0.834000 15.9994 + 5732 SYS 1911 TIP3 H1 A 0.417000 1.0079 + 5733 SYS 1911 TIP3 H2 A 0.417000 1.0079 + 5734 SYS 1912 TIP3 O1 C -0.834000 15.9994 + 5735 SYS 1912 TIP3 H1 A 0.417000 1.0079 + 5736 SYS 1912 TIP3 H2 A 0.417000 1.0079 + 5737 SYS 1913 TIP3 O1 C -0.834000 15.9994 + 5738 SYS 1913 TIP3 H1 A 0.417000 1.0079 + 5739 SYS 1913 TIP3 H2 A 0.417000 1.0079 + 5740 SYS 1914 TIP3 O1 C -0.834000 15.9994 + 5741 SYS 1914 TIP3 H1 A 0.417000 1.0079 + 5742 SYS 1914 TIP3 H2 A 0.417000 1.0079 + 5743 SYS 1915 TIP3 O1 C -0.834000 15.9994 + 5744 SYS 1915 TIP3 H1 A 0.417000 1.0079 + 5745 SYS 1915 TIP3 H2 A 0.417000 1.0079 + 5746 SYS 1916 TIP3 O1 C -0.834000 15.9994 + 5747 SYS 1916 TIP3 H1 A 0.417000 1.0079 + 5748 SYS 1916 TIP3 H2 A 0.417000 1.0079 + 5749 SYS 1917 TIP3 O1 C -0.834000 15.9994 + 5750 SYS 1917 TIP3 H1 A 0.417000 1.0079 + 5751 SYS 1917 TIP3 H2 A 0.417000 1.0079 + 5752 SYS 1918 TIP3 O1 C -0.834000 15.9994 + 5753 SYS 1918 TIP3 H1 A 0.417000 1.0079 + 5754 SYS 1918 TIP3 H2 A 0.417000 1.0079 + 5755 SYS 1919 TIP3 O1 C -0.834000 15.9994 + 5756 SYS 1919 TIP3 H1 A 0.417000 1.0079 + 5757 SYS 1919 TIP3 H2 A 0.417000 1.0079 + 5758 SYS 1920 TIP3 O1 C -0.834000 15.9994 + 5759 SYS 1920 TIP3 H1 A 0.417000 1.0079 + 5760 SYS 1920 TIP3 H2 A 0.417000 1.0079 + 5761 SYS 1921 TIP3 O1 C -0.834000 15.9994 + 5762 SYS 1921 TIP3 H1 A 0.417000 1.0079 + 5763 SYS 1921 TIP3 H2 A 0.417000 1.0079 + 5764 SYS 1922 TIP3 O1 C -0.834000 15.9994 + 5765 SYS 1922 TIP3 H1 A 0.417000 1.0079 + 5766 SYS 1922 TIP3 H2 A 0.417000 1.0079 + 5767 SYS 1923 TIP3 O1 C -0.834000 15.9994 + 5768 SYS 1923 TIP3 H1 A 0.417000 1.0079 + 5769 SYS 1923 TIP3 H2 A 0.417000 1.0079 + 5770 SYS 1924 TIP3 O1 C -0.834000 15.9994 + 5771 SYS 1924 TIP3 H1 A 0.417000 1.0079 + 5772 SYS 1924 TIP3 H2 A 0.417000 1.0079 + 5773 SYS 1925 TIP3 O1 C -0.834000 15.9994 + 5774 SYS 1925 TIP3 H1 A 0.417000 1.0079 + 5775 SYS 1925 TIP3 H2 A 0.417000 1.0079 + 5776 SYS 1926 TIP3 O1 C -0.834000 15.9994 + 5777 SYS 1926 TIP3 H1 A 0.417000 1.0079 + 5778 SYS 1926 TIP3 H2 A 0.417000 1.0079 + 5779 SYS 1927 TIP3 O1 C -0.834000 15.9994 + 5780 SYS 1927 TIP3 H1 A 0.417000 1.0079 + 5781 SYS 1927 TIP3 H2 A 0.417000 1.0079 + 5782 SYS 1928 TIP3 O1 C -0.834000 15.9994 + 5783 SYS 1928 TIP3 H1 A 0.417000 1.0079 + 5784 SYS 1928 TIP3 H2 A 0.417000 1.0079 + 5785 SYS 1929 TIP3 O1 C -0.834000 15.9994 + 5786 SYS 1929 TIP3 H1 A 0.417000 1.0079 + 5787 SYS 1929 TIP3 H2 A 0.417000 1.0079 + 5788 SYS 1930 TIP3 O1 C -0.834000 15.9994 + 5789 SYS 1930 TIP3 H1 A 0.417000 1.0079 + 5790 SYS 1930 TIP3 H2 A 0.417000 1.0079 + 5791 SYS 1931 TIP3 O1 C -0.834000 15.9994 + 5792 SYS 1931 TIP3 H1 A 0.417000 1.0079 + 5793 SYS 1931 TIP3 H2 A 0.417000 1.0079 + 5794 SYS 1932 TIP3 O1 C -0.834000 15.9994 + 5795 SYS 1932 TIP3 H1 A 0.417000 1.0079 + 5796 SYS 1932 TIP3 H2 A 0.417000 1.0079 + 5797 SYS 1933 TIP3 O1 C -0.834000 15.9994 + 5798 SYS 1933 TIP3 H1 A 0.417000 1.0079 + 5799 SYS 1933 TIP3 H2 A 0.417000 1.0079 + 5800 SYS 1934 TIP3 O1 C -0.834000 15.9994 + 5801 SYS 1934 TIP3 H1 A 0.417000 1.0079 + 5802 SYS 1934 TIP3 H2 A 0.417000 1.0079 + 5803 SYS 1935 TIP3 O1 C -0.834000 15.9994 + 5804 SYS 1935 TIP3 H1 A 0.417000 1.0079 + 5805 SYS 1935 TIP3 H2 A 0.417000 1.0079 + 5806 SYS 1936 TIP3 O1 C -0.834000 15.9994 + 5807 SYS 1936 TIP3 H1 A 0.417000 1.0079 + 5808 SYS 1936 TIP3 H2 A 0.417000 1.0079 + 5809 SYS 1937 TIP3 O1 C -0.834000 15.9994 + 5810 SYS 1937 TIP3 H1 A 0.417000 1.0079 + 5811 SYS 1937 TIP3 H2 A 0.417000 1.0079 + 5812 SYS 1938 TIP3 O1 C -0.834000 15.9994 + 5813 SYS 1938 TIP3 H1 A 0.417000 1.0079 + 5814 SYS 1938 TIP3 H2 A 0.417000 1.0079 + 5815 SYS 1939 TIP3 O1 C -0.834000 15.9994 + 5816 SYS 1939 TIP3 H1 A 0.417000 1.0079 + 5817 SYS 1939 TIP3 H2 A 0.417000 1.0079 + 5818 SYS 1940 TIP3 O1 C -0.834000 15.9994 + 5819 SYS 1940 TIP3 H1 A 0.417000 1.0079 + 5820 SYS 1940 TIP3 H2 A 0.417000 1.0079 + 5821 SYS 1941 TIP3 O1 C -0.834000 15.9994 + 5822 SYS 1941 TIP3 H1 A 0.417000 1.0079 + 5823 SYS 1941 TIP3 H2 A 0.417000 1.0079 + 5824 SYS 1942 TIP3 O1 C -0.834000 15.9994 + 5825 SYS 1942 TIP3 H1 A 0.417000 1.0079 + 5826 SYS 1942 TIP3 H2 A 0.417000 1.0079 + 5827 SYS 1943 TIP3 O1 C -0.834000 15.9994 + 5828 SYS 1943 TIP3 H1 A 0.417000 1.0079 + 5829 SYS 1943 TIP3 H2 A 0.417000 1.0079 + 5830 SYS 1944 TIP3 O1 C -0.834000 15.9994 + 5831 SYS 1944 TIP3 H1 A 0.417000 1.0079 + 5832 SYS 1944 TIP3 H2 A 0.417000 1.0079 + 5833 SYS 1945 TIP3 O1 C -0.834000 15.9994 + 5834 SYS 1945 TIP3 H1 A 0.417000 1.0079 + 5835 SYS 1945 TIP3 H2 A 0.417000 1.0079 + 5836 SYS 1946 TIP3 O1 C -0.834000 15.9994 + 5837 SYS 1946 TIP3 H1 A 0.417000 1.0079 + 5838 SYS 1946 TIP3 H2 A 0.417000 1.0079 + 5839 SYS 1947 TIP3 O1 C -0.834000 15.9994 + 5840 SYS 1947 TIP3 H1 A 0.417000 1.0079 + 5841 SYS 1947 TIP3 H2 A 0.417000 1.0079 + 5842 SYS 1948 TIP3 O1 C -0.834000 15.9994 + 5843 SYS 1948 TIP3 H1 A 0.417000 1.0079 + 5844 SYS 1948 TIP3 H2 A 0.417000 1.0079 + 5845 SYS 1949 TIP3 O1 C -0.834000 15.9994 + 5846 SYS 1949 TIP3 H1 A 0.417000 1.0079 + 5847 SYS 1949 TIP3 H2 A 0.417000 1.0079 + 5848 SYS 1950 TIP3 O1 C -0.834000 15.9994 + 5849 SYS 1950 TIP3 H1 A 0.417000 1.0079 + 5850 SYS 1950 TIP3 H2 A 0.417000 1.0079 + 5851 SYS 1951 TIP3 O1 C -0.834000 15.9994 + 5852 SYS 1951 TIP3 H1 A 0.417000 1.0079 + 5853 SYS 1951 TIP3 H2 A 0.417000 1.0079 + 5854 SYS 1952 TIP3 O1 C -0.834000 15.9994 + 5855 SYS 1952 TIP3 H1 A 0.417000 1.0079 + 5856 SYS 1952 TIP3 H2 A 0.417000 1.0079 + 5857 SYS 1953 TIP3 O1 C -0.834000 15.9994 + 5858 SYS 1953 TIP3 H1 A 0.417000 1.0079 + 5859 SYS 1953 TIP3 H2 A 0.417000 1.0079 + 5860 SYS 1954 TIP3 O1 C -0.834000 15.9994 + 5861 SYS 1954 TIP3 H1 A 0.417000 1.0079 + 5862 SYS 1954 TIP3 H2 A 0.417000 1.0079 + 5863 SYS 1955 TIP3 O1 C -0.834000 15.9994 + 5864 SYS 1955 TIP3 H1 A 0.417000 1.0079 + 5865 SYS 1955 TIP3 H2 A 0.417000 1.0079 + 5866 SYS 1956 TIP3 O1 C -0.834000 15.9994 + 5867 SYS 1956 TIP3 H1 A 0.417000 1.0079 + 5868 SYS 1956 TIP3 H2 A 0.417000 1.0079 + 5869 SYS 1957 TIP3 O1 C -0.834000 15.9994 + 5870 SYS 1957 TIP3 H1 A 0.417000 1.0079 + 5871 SYS 1957 TIP3 H2 A 0.417000 1.0079 + 5872 SYS 1958 TIP3 O1 C -0.834000 15.9994 + 5873 SYS 1958 TIP3 H1 A 0.417000 1.0079 + 5874 SYS 1958 TIP3 H2 A 0.417000 1.0079 + 5875 SYS 1959 TIP3 O1 C -0.834000 15.9994 + 5876 SYS 1959 TIP3 H1 A 0.417000 1.0079 + 5877 SYS 1959 TIP3 H2 A 0.417000 1.0079 + 5878 SYS 1960 TIP3 O1 C -0.834000 15.9994 + 5879 SYS 1960 TIP3 H1 A 0.417000 1.0079 + 5880 SYS 1960 TIP3 H2 A 0.417000 1.0079 + 5881 SYS 1961 TIP3 O1 C -0.834000 15.9994 + 5882 SYS 1961 TIP3 H1 A 0.417000 1.0079 + 5883 SYS 1961 TIP3 H2 A 0.417000 1.0079 + 5884 SYS 1962 TIP3 O1 C -0.834000 15.9994 + 5885 SYS 1962 TIP3 H1 A 0.417000 1.0079 + 5886 SYS 1962 TIP3 H2 A 0.417000 1.0079 + 5887 SYS 1963 TIP3 O1 C -0.834000 15.9994 + 5888 SYS 1963 TIP3 H1 A 0.417000 1.0079 + 5889 SYS 1963 TIP3 H2 A 0.417000 1.0079 + 5890 SYS 1964 TIP3 O1 C -0.834000 15.9994 + 5891 SYS 1964 TIP3 H1 A 0.417000 1.0079 + 5892 SYS 1964 TIP3 H2 A 0.417000 1.0079 + 5893 SYS 1965 TIP3 O1 C -0.834000 15.9994 + 5894 SYS 1965 TIP3 H1 A 0.417000 1.0079 + 5895 SYS 1965 TIP3 H2 A 0.417000 1.0079 + 5896 SYS 1966 TIP3 O1 C -0.834000 15.9994 + 5897 SYS 1966 TIP3 H1 A 0.417000 1.0079 + 5898 SYS 1966 TIP3 H2 A 0.417000 1.0079 + 5899 SYS 1967 TIP3 O1 C -0.834000 15.9994 + 5900 SYS 1967 TIP3 H1 A 0.417000 1.0079 + 5901 SYS 1967 TIP3 H2 A 0.417000 1.0079 + 5902 SYS 1968 TIP3 O1 C -0.834000 15.9994 + 5903 SYS 1968 TIP3 H1 A 0.417000 1.0079 + 5904 SYS 1968 TIP3 H2 A 0.417000 1.0079 + 5905 SYS 1969 TIP3 O1 C -0.834000 15.9994 + 5906 SYS 1969 TIP3 H1 A 0.417000 1.0079 + 5907 SYS 1969 TIP3 H2 A 0.417000 1.0079 + 5908 SYS 1970 TIP3 O1 C -0.834000 15.9994 + 5909 SYS 1970 TIP3 H1 A 0.417000 1.0079 + 5910 SYS 1970 TIP3 H2 A 0.417000 1.0079 + 5911 SYS 1971 TIP3 O1 C -0.834000 15.9994 + 5912 SYS 1971 TIP3 H1 A 0.417000 1.0079 + 5913 SYS 1971 TIP3 H2 A 0.417000 1.0079 + 5914 SYS 1972 TIP3 O1 C -0.834000 15.9994 + 5915 SYS 1972 TIP3 H1 A 0.417000 1.0079 + 5916 SYS 1972 TIP3 H2 A 0.417000 1.0079 + 5917 SYS 1973 TIP3 O1 C -0.834000 15.9994 + 5918 SYS 1973 TIP3 H1 A 0.417000 1.0079 + 5919 SYS 1973 TIP3 H2 A 0.417000 1.0079 + 5920 SYS 1974 TIP3 O1 C -0.834000 15.9994 + 5921 SYS 1974 TIP3 H1 A 0.417000 1.0079 + 5922 SYS 1974 TIP3 H2 A 0.417000 1.0079 + 5923 SYS 1975 TIP3 O1 C -0.834000 15.9994 + 5924 SYS 1975 TIP3 H1 A 0.417000 1.0079 + 5925 SYS 1975 TIP3 H2 A 0.417000 1.0079 + 5926 SYS 1976 TIP3 O1 C -0.834000 15.9994 + 5927 SYS 1976 TIP3 H1 A 0.417000 1.0079 + 5928 SYS 1976 TIP3 H2 A 0.417000 1.0079 + 5929 SYS 1977 TIP3 O1 C -0.834000 15.9994 + 5930 SYS 1977 TIP3 H1 A 0.417000 1.0079 + 5931 SYS 1977 TIP3 H2 A 0.417000 1.0079 + 5932 SYS 1978 TIP3 O1 C -0.834000 15.9994 + 5933 SYS 1978 TIP3 H1 A 0.417000 1.0079 + 5934 SYS 1978 TIP3 H2 A 0.417000 1.0079 + 5935 SYS 1979 TIP3 O1 C -0.834000 15.9994 + 5936 SYS 1979 TIP3 H1 A 0.417000 1.0079 + 5937 SYS 1979 TIP3 H2 A 0.417000 1.0079 + 5938 SYS 1980 TIP3 O1 C -0.834000 15.9994 + 5939 SYS 1980 TIP3 H1 A 0.417000 1.0079 + 5940 SYS 1980 TIP3 H2 A 0.417000 1.0079 + 5941 SYS 1981 TIP3 O1 C -0.834000 15.9994 + 5942 SYS 1981 TIP3 H1 A 0.417000 1.0079 + 5943 SYS 1981 TIP3 H2 A 0.417000 1.0079 + 5944 SYS 1982 TIP3 O1 C -0.834000 15.9994 + 5945 SYS 1982 TIP3 H1 A 0.417000 1.0079 + 5946 SYS 1982 TIP3 H2 A 0.417000 1.0079 + 5947 SYS 1983 TIP3 O1 C -0.834000 15.9994 + 5948 SYS 1983 TIP3 H1 A 0.417000 1.0079 + 5949 SYS 1983 TIP3 H2 A 0.417000 1.0079 + 5950 SYS 1984 TIP3 O1 C -0.834000 15.9994 + 5951 SYS 1984 TIP3 H1 A 0.417000 1.0079 + 5952 SYS 1984 TIP3 H2 A 0.417000 1.0079 + 5953 SYS 1985 TIP3 O1 C -0.834000 15.9994 + 5954 SYS 1985 TIP3 H1 A 0.417000 1.0079 + 5955 SYS 1985 TIP3 H2 A 0.417000 1.0079 + 5956 SYS 1986 TIP3 O1 C -0.834000 15.9994 + 5957 SYS 1986 TIP3 H1 A 0.417000 1.0079 + 5958 SYS 1986 TIP3 H2 A 0.417000 1.0079 + 5959 SYS 1987 TIP3 O1 C -0.834000 15.9994 + 5960 SYS 1987 TIP3 H1 A 0.417000 1.0079 + 5961 SYS 1987 TIP3 H2 A 0.417000 1.0079 + 5962 SYS 1988 TIP3 O1 C -0.834000 15.9994 + 5963 SYS 1988 TIP3 H1 A 0.417000 1.0079 + 5964 SYS 1988 TIP3 H2 A 0.417000 1.0079 + 5965 SYS 1989 TIP3 O1 C -0.834000 15.9994 + 5966 SYS 1989 TIP3 H1 A 0.417000 1.0079 + 5967 SYS 1989 TIP3 H2 A 0.417000 1.0079 + 5968 SYS 1990 TIP3 O1 C -0.834000 15.9994 + 5969 SYS 1990 TIP3 H1 A 0.417000 1.0079 + 5970 SYS 1990 TIP3 H2 A 0.417000 1.0079 + 5971 SYS 1991 TIP3 O1 C -0.834000 15.9994 + 5972 SYS 1991 TIP3 H1 A 0.417000 1.0079 + 5973 SYS 1991 TIP3 H2 A 0.417000 1.0079 + 5974 SYS 1992 TIP3 O1 C -0.834000 15.9994 + 5975 SYS 1992 TIP3 H1 A 0.417000 1.0079 + 5976 SYS 1992 TIP3 H2 A 0.417000 1.0079 + 5977 SYS 1993 TIP3 O1 C -0.834000 15.9994 + 5978 SYS 1993 TIP3 H1 A 0.417000 1.0079 + 5979 SYS 1993 TIP3 H2 A 0.417000 1.0079 + 5980 SYS 1994 TIP3 O1 C -0.834000 15.9994 + 5981 SYS 1994 TIP3 H1 A 0.417000 1.0079 + 5982 SYS 1994 TIP3 H2 A 0.417000 1.0079 + 5983 SYS 1995 TIP3 O1 C -0.834000 15.9994 + 5984 SYS 1995 TIP3 H1 A 0.417000 1.0079 + 5985 SYS 1995 TIP3 H2 A 0.417000 1.0079 + 5986 SYS 1996 TIP3 O1 C -0.834000 15.9994 + 5987 SYS 1996 TIP3 H1 A 0.417000 1.0079 + 5988 SYS 1996 TIP3 H2 A 0.417000 1.0079 + 5989 SYS 1997 TIP3 O1 C -0.834000 15.9994 + 5990 SYS 1997 TIP3 H1 A 0.417000 1.0079 + 5991 SYS 1997 TIP3 H2 A 0.417000 1.0079 + 5992 SYS 1998 TIP3 O1 C -0.834000 15.9994 + 5993 SYS 1998 TIP3 H1 A 0.417000 1.0079 + 5994 SYS 1998 TIP3 H2 A 0.417000 1.0079 + 5995 SYS 1999 TIP3 O1 C -0.834000 15.9994 + 5996 SYS 1999 TIP3 H1 A 0.417000 1.0079 + 5997 SYS 1999 TIP3 H2 A 0.417000 1.0079 + 5998 SYS 2000 TIP3 O1 C -0.834000 15.9994 + 5999 SYS 2000 TIP3 H1 A 0.417000 1.0079 + 6000 SYS 2000 TIP3 H2 A 0.417000 1.0079 + 6001 SYS 2001 TIP3 O1 C -0.834000 15.9994 + 6002 SYS 2001 TIP3 H1 A 0.417000 1.0079 + 6003 SYS 2001 TIP3 H2 A 0.417000 1.0079 + 6004 SYS 2002 TIP3 O1 C -0.834000 15.9994 + 6005 SYS 2002 TIP3 H1 A 0.417000 1.0079 + 6006 SYS 2002 TIP3 H2 A 0.417000 1.0079 + 6007 SYS 2003 TIP3 O1 C -0.834000 15.9994 + 6008 SYS 2003 TIP3 H1 A 0.417000 1.0079 + 6009 SYS 2003 TIP3 H2 A 0.417000 1.0079 + 6010 SYS 2004 TIP3 O1 C -0.834000 15.9994 + 6011 SYS 2004 TIP3 H1 A 0.417000 1.0079 + 6012 SYS 2004 TIP3 H2 A 0.417000 1.0079 + 6013 SYS 2005 TIP3 O1 C -0.834000 15.9994 + 6014 SYS 2005 TIP3 H1 A 0.417000 1.0079 + 6015 SYS 2005 TIP3 H2 A 0.417000 1.0079 + 6016 SYS 2006 TIP3 O1 C -0.834000 15.9994 + 6017 SYS 2006 TIP3 H1 A 0.417000 1.0079 + 6018 SYS 2006 TIP3 H2 A 0.417000 1.0079 + 6019 SYS 2007 TIP3 O1 C -0.834000 15.9994 + 6020 SYS 2007 TIP3 H1 A 0.417000 1.0079 + 6021 SYS 2007 TIP3 H2 A 0.417000 1.0079 + 6022 SYS 2008 TIP3 O1 C -0.834000 15.9994 + 6023 SYS 2008 TIP3 H1 A 0.417000 1.0079 + 6024 SYS 2008 TIP3 H2 A 0.417000 1.0079 + 6025 SYS 2009 TIP3 O1 C -0.834000 15.9994 + 6026 SYS 2009 TIP3 H1 A 0.417000 1.0079 + 6027 SYS 2009 TIP3 H2 A 0.417000 1.0079 + 6028 SYS 2010 TIP3 O1 C -0.834000 15.9994 + 6029 SYS 2010 TIP3 H1 A 0.417000 1.0079 + 6030 SYS 2010 TIP3 H2 A 0.417000 1.0079 + 6031 SYS 2011 TIP3 O1 C -0.834000 15.9994 + 6032 SYS 2011 TIP3 H1 A 0.417000 1.0079 + 6033 SYS 2011 TIP3 H2 A 0.417000 1.0079 + 6034 SYS 2012 TIP3 O1 C -0.834000 15.9994 + 6035 SYS 2012 TIP3 H1 A 0.417000 1.0079 + 6036 SYS 2012 TIP3 H2 A 0.417000 1.0079 + 6037 SYS 2013 TIP3 O1 C -0.834000 15.9994 + 6038 SYS 2013 TIP3 H1 A 0.417000 1.0079 + 6039 SYS 2013 TIP3 H2 A 0.417000 1.0079 + 6040 SYS 2014 TIP3 O1 C -0.834000 15.9994 + 6041 SYS 2014 TIP3 H1 A 0.417000 1.0079 + 6042 SYS 2014 TIP3 H2 A 0.417000 1.0079 + 6043 SYS 2015 TIP3 O1 C -0.834000 15.9994 + 6044 SYS 2015 TIP3 H1 A 0.417000 1.0079 + 6045 SYS 2015 TIP3 H2 A 0.417000 1.0079 + 6046 SYS 2016 TIP3 O1 C -0.834000 15.9994 + 6047 SYS 2016 TIP3 H1 A 0.417000 1.0079 + 6048 SYS 2016 TIP3 H2 A 0.417000 1.0079 + 6049 SYS 2017 TIP3 O1 C -0.834000 15.9994 + 6050 SYS 2017 TIP3 H1 A 0.417000 1.0079 + 6051 SYS 2017 TIP3 H2 A 0.417000 1.0079 + 6052 SYS 2018 TIP3 O1 C -0.834000 15.9994 + 6053 SYS 2018 TIP3 H1 A 0.417000 1.0079 + 6054 SYS 2018 TIP3 H2 A 0.417000 1.0079 + 6055 SYS 2019 TIP3 O1 C -0.834000 15.9994 + 6056 SYS 2019 TIP3 H1 A 0.417000 1.0079 + 6057 SYS 2019 TIP3 H2 A 0.417000 1.0079 + 6058 SYS 2020 TIP3 O1 C -0.834000 15.9994 + 6059 SYS 2020 TIP3 H1 A 0.417000 1.0079 + 6060 SYS 2020 TIP3 H2 A 0.417000 1.0079 + 6061 SYS 2021 TIP3 O1 C -0.834000 15.9994 + 6062 SYS 2021 TIP3 H1 A 0.417000 1.0079 + 6063 SYS 2021 TIP3 H2 A 0.417000 1.0079 + 6064 SYS 2022 TIP3 O1 C -0.834000 15.9994 + 6065 SYS 2022 TIP3 H1 A 0.417000 1.0079 + 6066 SYS 2022 TIP3 H2 A 0.417000 1.0079 + 6067 SYS 2023 TIP3 O1 C -0.834000 15.9994 + 6068 SYS 2023 TIP3 H1 A 0.417000 1.0079 + 6069 SYS 2023 TIP3 H2 A 0.417000 1.0079 + 6070 SYS 2024 TIP3 O1 C -0.834000 15.9994 + 6071 SYS 2024 TIP3 H1 A 0.417000 1.0079 + 6072 SYS 2024 TIP3 H2 A 0.417000 1.0079 + 6073 SYS 2025 TIP3 O1 C -0.834000 15.9994 + 6074 SYS 2025 TIP3 H1 A 0.417000 1.0079 + 6075 SYS 2025 TIP3 H2 A 0.417000 1.0079 + 6076 SYS 2026 TIP3 O1 C -0.834000 15.9994 + 6077 SYS 2026 TIP3 H1 A 0.417000 1.0079 + 6078 SYS 2026 TIP3 H2 A 0.417000 1.0079 + 6079 SYS 2027 TIP3 O1 C -0.834000 15.9994 + 6080 SYS 2027 TIP3 H1 A 0.417000 1.0079 + 6081 SYS 2027 TIP3 H2 A 0.417000 1.0079 + 6082 SYS 2028 TIP3 O1 C -0.834000 15.9994 + 6083 SYS 2028 TIP3 H1 A 0.417000 1.0079 + 6084 SYS 2028 TIP3 H2 A 0.417000 1.0079 + 6085 SYS 2029 TIP3 O1 C -0.834000 15.9994 + 6086 SYS 2029 TIP3 H1 A 0.417000 1.0079 + 6087 SYS 2029 TIP3 H2 A 0.417000 1.0079 + 6088 SYS 2030 TIP3 O1 C -0.834000 15.9994 + 6089 SYS 2030 TIP3 H1 A 0.417000 1.0079 + 6090 SYS 2030 TIP3 H2 A 0.417000 1.0079 + 6091 SYS 2031 TIP3 O1 C -0.834000 15.9994 + 6092 SYS 2031 TIP3 H1 A 0.417000 1.0079 + 6093 SYS 2031 TIP3 H2 A 0.417000 1.0079 + 6094 SYS 2032 TIP3 O1 C -0.834000 15.9994 + 6095 SYS 2032 TIP3 H1 A 0.417000 1.0079 + 6096 SYS 2032 TIP3 H2 A 0.417000 1.0079 + 6097 SYS 2033 TIP3 O1 C -0.834000 15.9994 + 6098 SYS 2033 TIP3 H1 A 0.417000 1.0079 + 6099 SYS 2033 TIP3 H2 A 0.417000 1.0079 + 6100 SYS 2034 TIP3 O1 C -0.834000 15.9994 + 6101 SYS 2034 TIP3 H1 A 0.417000 1.0079 + 6102 SYS 2034 TIP3 H2 A 0.417000 1.0079 + 6103 SYS 2035 TIP3 O1 C -0.834000 15.9994 + 6104 SYS 2035 TIP3 H1 A 0.417000 1.0079 + 6105 SYS 2035 TIP3 H2 A 0.417000 1.0079 + 6106 SYS 2036 TIP3 O1 C -0.834000 15.9994 + 6107 SYS 2036 TIP3 H1 A 0.417000 1.0079 + 6108 SYS 2036 TIP3 H2 A 0.417000 1.0079 + 6109 SYS 2037 TIP3 O1 C -0.834000 15.9994 + 6110 SYS 2037 TIP3 H1 A 0.417000 1.0079 + 6111 SYS 2037 TIP3 H2 A 0.417000 1.0079 + 6112 SYS 2038 TIP3 O1 C -0.834000 15.9994 + 6113 SYS 2038 TIP3 H1 A 0.417000 1.0079 + 6114 SYS 2038 TIP3 H2 A 0.417000 1.0079 + 6115 SYS 2039 TIP3 O1 C -0.834000 15.9994 + 6116 SYS 2039 TIP3 H1 A 0.417000 1.0079 + 6117 SYS 2039 TIP3 H2 A 0.417000 1.0079 + 6118 SYS 2040 TIP3 O1 C -0.834000 15.9994 + 6119 SYS 2040 TIP3 H1 A 0.417000 1.0079 + 6120 SYS 2040 TIP3 H2 A 0.417000 1.0079 + 6121 SYS 2041 TIP3 O1 C -0.834000 15.9994 + 6122 SYS 2041 TIP3 H1 A 0.417000 1.0079 + 6123 SYS 2041 TIP3 H2 A 0.417000 1.0079 + 6124 SYS 2042 TIP3 O1 C -0.834000 15.9994 + 6125 SYS 2042 TIP3 H1 A 0.417000 1.0079 + 6126 SYS 2042 TIP3 H2 A 0.417000 1.0079 + 6127 SYS 2043 TIP3 O1 C -0.834000 15.9994 + 6128 SYS 2043 TIP3 H1 A 0.417000 1.0079 + 6129 SYS 2043 TIP3 H2 A 0.417000 1.0079 + 6130 SYS 2044 TIP3 O1 C -0.834000 15.9994 + 6131 SYS 2044 TIP3 H1 A 0.417000 1.0079 + 6132 SYS 2044 TIP3 H2 A 0.417000 1.0079 + 6133 SYS 2045 TIP3 O1 C -0.834000 15.9994 + 6134 SYS 2045 TIP3 H1 A 0.417000 1.0079 + 6135 SYS 2045 TIP3 H2 A 0.417000 1.0079 + 6136 SYS 2046 TIP3 O1 C -0.834000 15.9994 + 6137 SYS 2046 TIP3 H1 A 0.417000 1.0079 + 6138 SYS 2046 TIP3 H2 A 0.417000 1.0079 + 6139 SYS 2047 TIP3 O1 C -0.834000 15.9994 + 6140 SYS 2047 TIP3 H1 A 0.417000 1.0079 + 6141 SYS 2047 TIP3 H2 A 0.417000 1.0079 + 6142 SYS 2048 TIP3 O1 C -0.834000 15.9994 + 6143 SYS 2048 TIP3 H1 A 0.417000 1.0079 + 6144 SYS 2048 TIP3 H2 A 0.417000 1.0079 + 6145 SYS 2049 TIP3 O1 C -0.834000 15.9994 + 6146 SYS 2049 TIP3 H1 A 0.417000 1.0079 + 6147 SYS 2049 TIP3 H2 A 0.417000 1.0079 + 6148 SYS 2050 TIP3 O1 C -0.834000 15.9994 + 6149 SYS 2050 TIP3 H1 A 0.417000 1.0079 + 6150 SYS 2050 TIP3 H2 A 0.417000 1.0079 + 6151 SYS 2051 TIP3 O1 C -0.834000 15.9994 + 6152 SYS 2051 TIP3 H1 A 0.417000 1.0079 + 6153 SYS 2051 TIP3 H2 A 0.417000 1.0079 + 6154 SYS 2052 TIP3 O1 C -0.834000 15.9994 + 6155 SYS 2052 TIP3 H1 A 0.417000 1.0079 + 6156 SYS 2052 TIP3 H2 A 0.417000 1.0079 + 6157 SYS 2053 TIP3 O1 C -0.834000 15.9994 + 6158 SYS 2053 TIP3 H1 A 0.417000 1.0079 + 6159 SYS 2053 TIP3 H2 A 0.417000 1.0079 + 6160 SYS 2054 TIP3 O1 C -0.834000 15.9994 + 6161 SYS 2054 TIP3 H1 A 0.417000 1.0079 + 6162 SYS 2054 TIP3 H2 A 0.417000 1.0079 + 6163 SYS 2055 TIP3 O1 C -0.834000 15.9994 + 6164 SYS 2055 TIP3 H1 A 0.417000 1.0079 + 6165 SYS 2055 TIP3 H2 A 0.417000 1.0079 + 6166 SYS 2056 TIP3 O1 C -0.834000 15.9994 + 6167 SYS 2056 TIP3 H1 A 0.417000 1.0079 + 6168 SYS 2056 TIP3 H2 A 0.417000 1.0079 + 6169 SYS 2057 TIP3 O1 C -0.834000 15.9994 + 6170 SYS 2057 TIP3 H1 A 0.417000 1.0079 + 6171 SYS 2057 TIP3 H2 A 0.417000 1.0079 + 6172 SYS 2058 TIP3 O1 C -0.834000 15.9994 + 6173 SYS 2058 TIP3 H1 A 0.417000 1.0079 + 6174 SYS 2058 TIP3 H2 A 0.417000 1.0079 + 6175 SYS 2059 TIP3 O1 C -0.834000 15.9994 + 6176 SYS 2059 TIP3 H1 A 0.417000 1.0079 + 6177 SYS 2059 TIP3 H2 A 0.417000 1.0079 + 6178 SYS 2060 TIP3 O1 C -0.834000 15.9994 + 6179 SYS 2060 TIP3 H1 A 0.417000 1.0079 + 6180 SYS 2060 TIP3 H2 A 0.417000 1.0079 + 6181 SYS 2061 TIP3 O1 C -0.834000 15.9994 + 6182 SYS 2061 TIP3 H1 A 0.417000 1.0079 + 6183 SYS 2061 TIP3 H2 A 0.417000 1.0079 + 6184 SYS 2062 TIP3 O1 C -0.834000 15.9994 + 6185 SYS 2062 TIP3 H1 A 0.417000 1.0079 + 6186 SYS 2062 TIP3 H2 A 0.417000 1.0079 + 6187 SYS 2063 TIP3 O1 C -0.834000 15.9994 + 6188 SYS 2063 TIP3 H1 A 0.417000 1.0079 + 6189 SYS 2063 TIP3 H2 A 0.417000 1.0079 + 6190 SYS 2064 TIP3 O1 C -0.834000 15.9994 + 6191 SYS 2064 TIP3 H1 A 0.417000 1.0079 + 6192 SYS 2064 TIP3 H2 A 0.417000 1.0079 + 6193 SYS 2065 TIP3 O1 C -0.834000 15.9994 + 6194 SYS 2065 TIP3 H1 A 0.417000 1.0079 + 6195 SYS 2065 TIP3 H2 A 0.417000 1.0079 + 6196 SYS 2066 TIP3 O1 C -0.834000 15.9994 + 6197 SYS 2066 TIP3 H1 A 0.417000 1.0079 + 6198 SYS 2066 TIP3 H2 A 0.417000 1.0079 + 6199 SYS 2067 TIP3 O1 C -0.834000 15.9994 + 6200 SYS 2067 TIP3 H1 A 0.417000 1.0079 + 6201 SYS 2067 TIP3 H2 A 0.417000 1.0079 + 6202 SYS 2068 TIP3 O1 C -0.834000 15.9994 + 6203 SYS 2068 TIP3 H1 A 0.417000 1.0079 + 6204 SYS 2068 TIP3 H2 A 0.417000 1.0079 + 6205 SYS 2069 TIP3 O1 C -0.834000 15.9994 + 6206 SYS 2069 TIP3 H1 A 0.417000 1.0079 + 6207 SYS 2069 TIP3 H2 A 0.417000 1.0079 + 6208 SYS 2070 TIP3 O1 C -0.834000 15.9994 + 6209 SYS 2070 TIP3 H1 A 0.417000 1.0079 + 6210 SYS 2070 TIP3 H2 A 0.417000 1.0079 + 6211 SYS 2071 TIP3 O1 C -0.834000 15.9994 + 6212 SYS 2071 TIP3 H1 A 0.417000 1.0079 + 6213 SYS 2071 TIP3 H2 A 0.417000 1.0079 + 6214 SYS 2072 TIP3 O1 C -0.834000 15.9994 + 6215 SYS 2072 TIP3 H1 A 0.417000 1.0079 + 6216 SYS 2072 TIP3 H2 A 0.417000 1.0079 + 6217 SYS 2073 TIP3 O1 C -0.834000 15.9994 + 6218 SYS 2073 TIP3 H1 A 0.417000 1.0079 + 6219 SYS 2073 TIP3 H2 A 0.417000 1.0079 + 6220 SYS 2074 TIP3 O1 C -0.834000 15.9994 + 6221 SYS 2074 TIP3 H1 A 0.417000 1.0079 + 6222 SYS 2074 TIP3 H2 A 0.417000 1.0079 + 6223 SYS 2075 TIP3 O1 C -0.834000 15.9994 + 6224 SYS 2075 TIP3 H1 A 0.417000 1.0079 + 6225 SYS 2075 TIP3 H2 A 0.417000 1.0079 + 6226 SYS 2076 TIP3 O1 C -0.834000 15.9994 + 6227 SYS 2076 TIP3 H1 A 0.417000 1.0079 + 6228 SYS 2076 TIP3 H2 A 0.417000 1.0079 + 6229 SYS 2077 TIP3 O1 C -0.834000 15.9994 + 6230 SYS 2077 TIP3 H1 A 0.417000 1.0079 + 6231 SYS 2077 TIP3 H2 A 0.417000 1.0079 + 6232 SYS 2078 TIP3 O1 C -0.834000 15.9994 + 6233 SYS 2078 TIP3 H1 A 0.417000 1.0079 + 6234 SYS 2078 TIP3 H2 A 0.417000 1.0079 + 6235 SYS 2079 TIP3 O1 C -0.834000 15.9994 + 6236 SYS 2079 TIP3 H1 A 0.417000 1.0079 + 6237 SYS 2079 TIP3 H2 A 0.417000 1.0079 + 6238 SYS 2080 TIP3 O1 C -0.834000 15.9994 + 6239 SYS 2080 TIP3 H1 A 0.417000 1.0079 + 6240 SYS 2080 TIP3 H2 A 0.417000 1.0079 + 6241 SYS 2081 TIP3 O1 C -0.834000 15.9994 + 6242 SYS 2081 TIP3 H1 A 0.417000 1.0079 + 6243 SYS 2081 TIP3 H2 A 0.417000 1.0079 + 6244 SYS 2082 TIP3 O1 C -0.834000 15.9994 + 6245 SYS 2082 TIP3 H1 A 0.417000 1.0079 + 6246 SYS 2082 TIP3 H2 A 0.417000 1.0079 + 6247 SYS 2083 TIP3 O1 C -0.834000 15.9994 + 6248 SYS 2083 TIP3 H1 A 0.417000 1.0079 + 6249 SYS 2083 TIP3 H2 A 0.417000 1.0079 + 6250 SYS 2084 TIP3 O1 C -0.834000 15.9994 + 6251 SYS 2084 TIP3 H1 A 0.417000 1.0079 + 6252 SYS 2084 TIP3 H2 A 0.417000 1.0079 + 6253 SYS 2085 TIP3 O1 C -0.834000 15.9994 + 6254 SYS 2085 TIP3 H1 A 0.417000 1.0079 + 6255 SYS 2085 TIP3 H2 A 0.417000 1.0079 + 6256 SYS 2086 TIP3 O1 C -0.834000 15.9994 + 6257 SYS 2086 TIP3 H1 A 0.417000 1.0079 + 6258 SYS 2086 TIP3 H2 A 0.417000 1.0079 + 6259 SYS 2087 TIP3 O1 C -0.834000 15.9994 + 6260 SYS 2087 TIP3 H1 A 0.417000 1.0079 + 6261 SYS 2087 TIP3 H2 A 0.417000 1.0079 + 6262 SYS 2088 TIP3 O1 C -0.834000 15.9994 + 6263 SYS 2088 TIP3 H1 A 0.417000 1.0079 + 6264 SYS 2088 TIP3 H2 A 0.417000 1.0079 + 6265 SYS 2089 TIP3 O1 C -0.834000 15.9994 + 6266 SYS 2089 TIP3 H1 A 0.417000 1.0079 + 6267 SYS 2089 TIP3 H2 A 0.417000 1.0079 + 6268 SYS 2090 TIP3 O1 C -0.834000 15.9994 + 6269 SYS 2090 TIP3 H1 A 0.417000 1.0079 + 6270 SYS 2090 TIP3 H2 A 0.417000 1.0079 + 6271 SYS 2091 TIP3 O1 C -0.834000 15.9994 + 6272 SYS 2091 TIP3 H1 A 0.417000 1.0079 + 6273 SYS 2091 TIP3 H2 A 0.417000 1.0079 + 6274 SYS 2092 TIP3 O1 C -0.834000 15.9994 + 6275 SYS 2092 TIP3 H1 A 0.417000 1.0079 + 6276 SYS 2092 TIP3 H2 A 0.417000 1.0079 + 6277 SYS 2093 TIP3 O1 C -0.834000 15.9994 + 6278 SYS 2093 TIP3 H1 A 0.417000 1.0079 + 6279 SYS 2093 TIP3 H2 A 0.417000 1.0079 + 6280 SYS 2094 TIP3 O1 C -0.834000 15.9994 + 6281 SYS 2094 TIP3 H1 A 0.417000 1.0079 + 6282 SYS 2094 TIP3 H2 A 0.417000 1.0079 + 6283 SYS 2095 TIP3 O1 C -0.834000 15.9994 + 6284 SYS 2095 TIP3 H1 A 0.417000 1.0079 + 6285 SYS 2095 TIP3 H2 A 0.417000 1.0079 + 6286 SYS 2096 TIP3 O1 C -0.834000 15.9994 + 6287 SYS 2096 TIP3 H1 A 0.417000 1.0079 + 6288 SYS 2096 TIP3 H2 A 0.417000 1.0079 + 6289 SYS 2097 TIP3 O1 C -0.834000 15.9994 + 6290 SYS 2097 TIP3 H1 A 0.417000 1.0079 + 6291 SYS 2097 TIP3 H2 A 0.417000 1.0079 + 6292 SYS 2098 TIP3 O1 C -0.834000 15.9994 + 6293 SYS 2098 TIP3 H1 A 0.417000 1.0079 + 6294 SYS 2098 TIP3 H2 A 0.417000 1.0079 + 6295 SYS 2099 TIP3 O1 C -0.834000 15.9994 + 6296 SYS 2099 TIP3 H1 A 0.417000 1.0079 + 6297 SYS 2099 TIP3 H2 A 0.417000 1.0079 + 6298 SYS 2100 TIP3 O1 C -0.834000 15.9994 + 6299 SYS 2100 TIP3 H1 A 0.417000 1.0079 + 6300 SYS 2100 TIP3 H2 A 0.417000 1.0079 + 6301 SYS 2101 TIP3 O1 C -0.834000 15.9994 + 6302 SYS 2101 TIP3 H1 A 0.417000 1.0079 + 6303 SYS 2101 TIP3 H2 A 0.417000 1.0079 + 6304 SYS 2102 TIP3 O1 C -0.834000 15.9994 + 6305 SYS 2102 TIP3 H1 A 0.417000 1.0079 + 6306 SYS 2102 TIP3 H2 A 0.417000 1.0079 + 6307 SYS 2103 TIP3 O1 C -0.834000 15.9994 + 6308 SYS 2103 TIP3 H1 A 0.417000 1.0079 + 6309 SYS 2103 TIP3 H2 A 0.417000 1.0079 + 6310 SYS 2104 TIP3 O1 C -0.834000 15.9994 + 6311 SYS 2104 TIP3 H1 A 0.417000 1.0079 + 6312 SYS 2104 TIP3 H2 A 0.417000 1.0079 + 6313 SYS 2105 TIP3 O1 C -0.834000 15.9994 + 6314 SYS 2105 TIP3 H1 A 0.417000 1.0079 + 6315 SYS 2105 TIP3 H2 A 0.417000 1.0079 + 6316 SYS 2106 TIP3 O1 C -0.834000 15.9994 + 6317 SYS 2106 TIP3 H1 A 0.417000 1.0079 + 6318 SYS 2106 TIP3 H2 A 0.417000 1.0079 + 6319 SYS 2107 TIP3 O1 C -0.834000 15.9994 + 6320 SYS 2107 TIP3 H1 A 0.417000 1.0079 + 6321 SYS 2107 TIP3 H2 A 0.417000 1.0079 + 6322 SYS 2108 TIP3 O1 C -0.834000 15.9994 + 6323 SYS 2108 TIP3 H1 A 0.417000 1.0079 + 6324 SYS 2108 TIP3 H2 A 0.417000 1.0079 + 6325 SYS 2109 TIP3 O1 C -0.834000 15.9994 + 6326 SYS 2109 TIP3 H1 A 0.417000 1.0079 + 6327 SYS 2109 TIP3 H2 A 0.417000 1.0079 + 6328 SYS 2110 TIP3 O1 C -0.834000 15.9994 + 6329 SYS 2110 TIP3 H1 A 0.417000 1.0079 + 6330 SYS 2110 TIP3 H2 A 0.417000 1.0079 + 6331 SYS 2111 TIP3 O1 C -0.834000 15.9994 + 6332 SYS 2111 TIP3 H1 A 0.417000 1.0079 + 6333 SYS 2111 TIP3 H2 A 0.417000 1.0079 + 6334 SYS 2112 TIP3 O1 C -0.834000 15.9994 + 6335 SYS 2112 TIP3 H1 A 0.417000 1.0079 + 6336 SYS 2112 TIP3 H2 A 0.417000 1.0079 + 6337 SYS 2113 TIP3 O1 C -0.834000 15.9994 + 6338 SYS 2113 TIP3 H1 A 0.417000 1.0079 + 6339 SYS 2113 TIP3 H2 A 0.417000 1.0079 + 6340 SYS 2114 TIP3 O1 C -0.834000 15.9994 + 6341 SYS 2114 TIP3 H1 A 0.417000 1.0079 + 6342 SYS 2114 TIP3 H2 A 0.417000 1.0079 + 6343 SYS 2115 TIP3 O1 C -0.834000 15.9994 + 6344 SYS 2115 TIP3 H1 A 0.417000 1.0079 + 6345 SYS 2115 TIP3 H2 A 0.417000 1.0079 + 6346 SYS 2116 TIP3 O1 C -0.834000 15.9994 + 6347 SYS 2116 TIP3 H1 A 0.417000 1.0079 + 6348 SYS 2116 TIP3 H2 A 0.417000 1.0079 + 6349 SYS 2117 TIP3 O1 C -0.834000 15.9994 + 6350 SYS 2117 TIP3 H1 A 0.417000 1.0079 + 6351 SYS 2117 TIP3 H2 A 0.417000 1.0079 + 6352 SYS 2118 TIP3 O1 C -0.834000 15.9994 + 6353 SYS 2118 TIP3 H1 A 0.417000 1.0079 + 6354 SYS 2118 TIP3 H2 A 0.417000 1.0079 + 6355 SYS 2119 TIP3 O1 C -0.834000 15.9994 + 6356 SYS 2119 TIP3 H1 A 0.417000 1.0079 + 6357 SYS 2119 TIP3 H2 A 0.417000 1.0079 + 6358 SYS 2120 TIP3 O1 C -0.834000 15.9994 + 6359 SYS 2120 TIP3 H1 A 0.417000 1.0079 + 6360 SYS 2120 TIP3 H2 A 0.417000 1.0079 + 6361 SYS 2121 TIP3 O1 C -0.834000 15.9994 + 6362 SYS 2121 TIP3 H1 A 0.417000 1.0079 + 6363 SYS 2121 TIP3 H2 A 0.417000 1.0079 + 6364 SYS 2122 TIP3 O1 C -0.834000 15.9994 + 6365 SYS 2122 TIP3 H1 A 0.417000 1.0079 + 6366 SYS 2122 TIP3 H2 A 0.417000 1.0079 + 6367 SYS 2123 TIP3 O1 C -0.834000 15.9994 + 6368 SYS 2123 TIP3 H1 A 0.417000 1.0079 + 6369 SYS 2123 TIP3 H2 A 0.417000 1.0079 + 6370 SYS 2124 TIP3 O1 C -0.834000 15.9994 + 6371 SYS 2124 TIP3 H1 A 0.417000 1.0079 + 6372 SYS 2124 TIP3 H2 A 0.417000 1.0079 + 6373 SYS 2125 TIP3 O1 C -0.834000 15.9994 + 6374 SYS 2125 TIP3 H1 A 0.417000 1.0079 + 6375 SYS 2125 TIP3 H2 A 0.417000 1.0079 + 6376 SYS 2126 TIP3 O1 C -0.834000 15.9994 + 6377 SYS 2126 TIP3 H1 A 0.417000 1.0079 + 6378 SYS 2126 TIP3 H2 A 0.417000 1.0079 + 6379 SYS 2127 TIP3 O1 C -0.834000 15.9994 + 6380 SYS 2127 TIP3 H1 A 0.417000 1.0079 + 6381 SYS 2127 TIP3 H2 A 0.417000 1.0079 + 6382 SYS 2128 TIP3 O1 C -0.834000 15.9994 + 6383 SYS 2128 TIP3 H1 A 0.417000 1.0079 + 6384 SYS 2128 TIP3 H2 A 0.417000 1.0079 + 6385 SYS 2129 TIP3 O1 C -0.834000 15.9994 + 6386 SYS 2129 TIP3 H1 A 0.417000 1.0079 + 6387 SYS 2129 TIP3 H2 A 0.417000 1.0079 + 6388 SYS 2130 TIP3 O1 C -0.834000 15.9994 + 6389 SYS 2130 TIP3 H1 A 0.417000 1.0079 + 6390 SYS 2130 TIP3 H2 A 0.417000 1.0079 + 6391 SYS 2131 TIP3 O1 C -0.834000 15.9994 + 6392 SYS 2131 TIP3 H1 A 0.417000 1.0079 + 6393 SYS 2131 TIP3 H2 A 0.417000 1.0079 + 6394 SYS 2132 TIP3 O1 C -0.834000 15.9994 + 6395 SYS 2132 TIP3 H1 A 0.417000 1.0079 + 6396 SYS 2132 TIP3 H2 A 0.417000 1.0079 + 6397 SYS 2133 TIP3 O1 C -0.834000 15.9994 + 6398 SYS 2133 TIP3 H1 A 0.417000 1.0079 + 6399 SYS 2133 TIP3 H2 A 0.417000 1.0079 + 6400 SYS 2134 TIP3 O1 C -0.834000 15.9994 + 6401 SYS 2134 TIP3 H1 A 0.417000 1.0079 + 6402 SYS 2134 TIP3 H2 A 0.417000 1.0079 + 6403 SYS 2135 TIP3 O1 C -0.834000 15.9994 + 6404 SYS 2135 TIP3 H1 A 0.417000 1.0079 + 6405 SYS 2135 TIP3 H2 A 0.417000 1.0079 + 6406 SYS 2136 TIP3 O1 C -0.834000 15.9994 + 6407 SYS 2136 TIP3 H1 A 0.417000 1.0079 + 6408 SYS 2136 TIP3 H2 A 0.417000 1.0079 + 6409 SYS 2137 TIP3 O1 C -0.834000 15.9994 + 6410 SYS 2137 TIP3 H1 A 0.417000 1.0079 + 6411 SYS 2137 TIP3 H2 A 0.417000 1.0079 + 6412 SYS 2138 TIP3 O1 C -0.834000 15.9994 + 6413 SYS 2138 TIP3 H1 A 0.417000 1.0079 + 6414 SYS 2138 TIP3 H2 A 0.417000 1.0079 + 6415 SYS 2139 TIP3 O1 C -0.834000 15.9994 + 6416 SYS 2139 TIP3 H1 A 0.417000 1.0079 + 6417 SYS 2139 TIP3 H2 A 0.417000 1.0079 + 6418 SYS 2140 TIP3 O1 C -0.834000 15.9994 + 6419 SYS 2140 TIP3 H1 A 0.417000 1.0079 + 6420 SYS 2140 TIP3 H2 A 0.417000 1.0079 + 6421 SYS 2141 TIP3 O1 C -0.834000 15.9994 + 6422 SYS 2141 TIP3 H1 A 0.417000 1.0079 + 6423 SYS 2141 TIP3 H2 A 0.417000 1.0079 + 6424 SYS 2142 TIP3 O1 C -0.834000 15.9994 + 6425 SYS 2142 TIP3 H1 A 0.417000 1.0079 + 6426 SYS 2142 TIP3 H2 A 0.417000 1.0079 + 6427 SYS 2143 TIP3 O1 C -0.834000 15.9994 + 6428 SYS 2143 TIP3 H1 A 0.417000 1.0079 + 6429 SYS 2143 TIP3 H2 A 0.417000 1.0079 + 6430 SYS 2144 TIP3 O1 C -0.834000 15.9994 + 6431 SYS 2144 TIP3 H1 A 0.417000 1.0079 + 6432 SYS 2144 TIP3 H2 A 0.417000 1.0079 + 6433 SYS 2145 TIP3 O1 C -0.834000 15.9994 + 6434 SYS 2145 TIP3 H1 A 0.417000 1.0079 + 6435 SYS 2145 TIP3 H2 A 0.417000 1.0079 + 6436 SYS 2146 TIP3 O1 C -0.834000 15.9994 + 6437 SYS 2146 TIP3 H1 A 0.417000 1.0079 + 6438 SYS 2146 TIP3 H2 A 0.417000 1.0079 + 6439 SYS 2147 TIP3 O1 C -0.834000 15.9994 + 6440 SYS 2147 TIP3 H1 A 0.417000 1.0079 + 6441 SYS 2147 TIP3 H2 A 0.417000 1.0079 + 6442 SYS 2148 TIP3 O1 C -0.834000 15.9994 + 6443 SYS 2148 TIP3 H1 A 0.417000 1.0079 + 6444 SYS 2148 TIP3 H2 A 0.417000 1.0079 + 6445 SYS 2149 TIP3 O1 C -0.834000 15.9994 + 6446 SYS 2149 TIP3 H1 A 0.417000 1.0079 + 6447 SYS 2149 TIP3 H2 A 0.417000 1.0079 + 6448 SYS 2150 TIP3 O1 C -0.834000 15.9994 + 6449 SYS 2150 TIP3 H1 A 0.417000 1.0079 + 6450 SYS 2150 TIP3 H2 A 0.417000 1.0079 + 6451 SYS 2151 TIP3 O1 C -0.834000 15.9994 + 6452 SYS 2151 TIP3 H1 A 0.417000 1.0079 + 6453 SYS 2151 TIP3 H2 A 0.417000 1.0079 + 6454 SYS 2152 TIP3 O1 C -0.834000 15.9994 + 6455 SYS 2152 TIP3 H1 A 0.417000 1.0079 + 6456 SYS 2152 TIP3 H2 A 0.417000 1.0079 + 6457 SYS 2153 TIP3 O1 C -0.834000 15.9994 + 6458 SYS 2153 TIP3 H1 A 0.417000 1.0079 + 6459 SYS 2153 TIP3 H2 A 0.417000 1.0079 + 6460 SYS 2154 TIP3 O1 C -0.834000 15.9994 + 6461 SYS 2154 TIP3 H1 A 0.417000 1.0079 + 6462 SYS 2154 TIP3 H2 A 0.417000 1.0079 + 6463 SYS 2155 TIP3 O1 C -0.834000 15.9994 + 6464 SYS 2155 TIP3 H1 A 0.417000 1.0079 + 6465 SYS 2155 TIP3 H2 A 0.417000 1.0079 + 6466 SYS 2156 TIP3 O1 C -0.834000 15.9994 + 6467 SYS 2156 TIP3 H1 A 0.417000 1.0079 + 6468 SYS 2156 TIP3 H2 A 0.417000 1.0079 + 6469 SYS 2157 TIP3 O1 C -0.834000 15.9994 + 6470 SYS 2157 TIP3 H1 A 0.417000 1.0079 + 6471 SYS 2157 TIP3 H2 A 0.417000 1.0079 + 6472 SYS 2158 TIP3 O1 C -0.834000 15.9994 + 6473 SYS 2158 TIP3 H1 A 0.417000 1.0079 + 6474 SYS 2158 TIP3 H2 A 0.417000 1.0079 + 6475 SYS 2159 TIP3 O1 C -0.834000 15.9994 + 6476 SYS 2159 TIP3 H1 A 0.417000 1.0079 + 6477 SYS 2159 TIP3 H2 A 0.417000 1.0079 + 6478 SYS 2160 TIP3 O1 C -0.834000 15.9994 + 6479 SYS 2160 TIP3 H1 A 0.417000 1.0079 + 6480 SYS 2160 TIP3 H2 A 0.417000 1.0079 + 6481 SYS 2161 TIP3 O1 C -0.834000 15.9994 + 6482 SYS 2161 TIP3 H1 A 0.417000 1.0079 + 6483 SYS 2161 TIP3 H2 A 0.417000 1.0079 + 6484 SYS 2162 TIP3 O1 C -0.834000 15.9994 + 6485 SYS 2162 TIP3 H1 A 0.417000 1.0079 + 6486 SYS 2162 TIP3 H2 A 0.417000 1.0079 + 6487 SYS 2163 TIP3 O1 C -0.834000 15.9994 + 6488 SYS 2163 TIP3 H1 A 0.417000 1.0079 + 6489 SYS 2163 TIP3 H2 A 0.417000 1.0079 + 6490 SYS 2164 TIP3 O1 C -0.834000 15.9994 + 6491 SYS 2164 TIP3 H1 A 0.417000 1.0079 + 6492 SYS 2164 TIP3 H2 A 0.417000 1.0079 + 6493 SYS 2165 TIP3 O1 C -0.834000 15.9994 + 6494 SYS 2165 TIP3 H1 A 0.417000 1.0079 + 6495 SYS 2165 TIP3 H2 A 0.417000 1.0079 + 6496 SYS 2166 TIP3 O1 C -0.834000 15.9994 + 6497 SYS 2166 TIP3 H1 A 0.417000 1.0079 + 6498 SYS 2166 TIP3 H2 A 0.417000 1.0079 + 6499 SYS 2167 TIP3 O1 C -0.834000 15.9994 + 6500 SYS 2167 TIP3 H1 A 0.417000 1.0079 + 6501 SYS 2167 TIP3 H2 A 0.417000 1.0079 + 6502 SYS 2168 TIP3 O1 C -0.834000 15.9994 + 6503 SYS 2168 TIP3 H1 A 0.417000 1.0079 + 6504 SYS 2168 TIP3 H2 A 0.417000 1.0079 + 6505 SYS 2169 TIP3 O1 C -0.834000 15.9994 + 6506 SYS 2169 TIP3 H1 A 0.417000 1.0079 + 6507 SYS 2169 TIP3 H2 A 0.417000 1.0079 + 6508 SYS 2170 TIP3 O1 C -0.834000 15.9994 + 6509 SYS 2170 TIP3 H1 A 0.417000 1.0079 + 6510 SYS 2170 TIP3 H2 A 0.417000 1.0079 + 6511 SYS 2171 TIP3 O1 C -0.834000 15.9994 + 6512 SYS 2171 TIP3 H1 A 0.417000 1.0079 + 6513 SYS 2171 TIP3 H2 A 0.417000 1.0079 + 6514 SYS 2172 TIP3 O1 C -0.834000 15.9994 + 6515 SYS 2172 TIP3 H1 A 0.417000 1.0079 + 6516 SYS 2172 TIP3 H2 A 0.417000 1.0079 + 6517 SYS 2173 TIP3 O1 C -0.834000 15.9994 + 6518 SYS 2173 TIP3 H1 A 0.417000 1.0079 + 6519 SYS 2173 TIP3 H2 A 0.417000 1.0079 + 6520 SYS 2174 TIP3 O1 C -0.834000 15.9994 + 6521 SYS 2174 TIP3 H1 A 0.417000 1.0079 + 6522 SYS 2174 TIP3 H2 A 0.417000 1.0079 + 6523 SYS 2175 TIP3 O1 C -0.834000 15.9994 + 6524 SYS 2175 TIP3 H1 A 0.417000 1.0079 + 6525 SYS 2175 TIP3 H2 A 0.417000 1.0079 + 6526 SYS 2176 TIP3 O1 C -0.834000 15.9994 + 6527 SYS 2176 TIP3 H1 A 0.417000 1.0079 + 6528 SYS 2176 TIP3 H2 A 0.417000 1.0079 + 6529 SYS 2177 TIP3 O1 C -0.834000 15.9994 + 6530 SYS 2177 TIP3 H1 A 0.417000 1.0079 + 6531 SYS 2177 TIP3 H2 A 0.417000 1.0079 + 6532 SYS 2178 TIP3 O1 C -0.834000 15.9994 + 6533 SYS 2178 TIP3 H1 A 0.417000 1.0079 + 6534 SYS 2178 TIP3 H2 A 0.417000 1.0079 + 6535 SYS 2179 TIP3 O1 C -0.834000 15.9994 + 6536 SYS 2179 TIP3 H1 A 0.417000 1.0079 + 6537 SYS 2179 TIP3 H2 A 0.417000 1.0079 + 6538 SYS 2180 TIP3 O1 C -0.834000 15.9994 + 6539 SYS 2180 TIP3 H1 A 0.417000 1.0079 + 6540 SYS 2180 TIP3 H2 A 0.417000 1.0079 + 6541 SYS 2181 TIP3 O1 C -0.834000 15.9994 + 6542 SYS 2181 TIP3 H1 A 0.417000 1.0079 + 6543 SYS 2181 TIP3 H2 A 0.417000 1.0079 + 6544 SYS 2182 TIP3 O1 C -0.834000 15.9994 + 6545 SYS 2182 TIP3 H1 A 0.417000 1.0079 + 6546 SYS 2182 TIP3 H2 A 0.417000 1.0079 + 6547 SYS 2183 TIP3 O1 C -0.834000 15.9994 + 6548 SYS 2183 TIP3 H1 A 0.417000 1.0079 + 6549 SYS 2183 TIP3 H2 A 0.417000 1.0079 + 6550 SYS 2184 TIP3 O1 C -0.834000 15.9994 + 6551 SYS 2184 TIP3 H1 A 0.417000 1.0079 + 6552 SYS 2184 TIP3 H2 A 0.417000 1.0079 + 6553 SYS 2185 TIP3 O1 C -0.834000 15.9994 + 6554 SYS 2185 TIP3 H1 A 0.417000 1.0079 + 6555 SYS 2185 TIP3 H2 A 0.417000 1.0079 + 6556 SYS 2186 TIP3 O1 C -0.834000 15.9994 + 6557 SYS 2186 TIP3 H1 A 0.417000 1.0079 + 6558 SYS 2186 TIP3 H2 A 0.417000 1.0079 + 6559 SYS 2187 TIP3 O1 C -0.834000 15.9994 + 6560 SYS 2187 TIP3 H1 A 0.417000 1.0079 + 6561 SYS 2187 TIP3 H2 A 0.417000 1.0079 + 6562 SYS 2188 TIP3 O1 C -0.834000 15.9994 + 6563 SYS 2188 TIP3 H1 A 0.417000 1.0079 + 6564 SYS 2188 TIP3 H2 A 0.417000 1.0079 + 6565 SYS 2189 TIP3 O1 C -0.834000 15.9994 + 6566 SYS 2189 TIP3 H1 A 0.417000 1.0079 + 6567 SYS 2189 TIP3 H2 A 0.417000 1.0079 + 6568 SYS 2190 TIP3 O1 C -0.834000 15.9994 + 6569 SYS 2190 TIP3 H1 A 0.417000 1.0079 + 6570 SYS 2190 TIP3 H2 A 0.417000 1.0079 + 6571 SYS 2191 TIP3 O1 C -0.834000 15.9994 + 6572 SYS 2191 TIP3 H1 A 0.417000 1.0079 + 6573 SYS 2191 TIP3 H2 A 0.417000 1.0079 + 6574 SYS 2192 TIP3 O1 C -0.834000 15.9994 + 6575 SYS 2192 TIP3 H1 A 0.417000 1.0079 + 6576 SYS 2192 TIP3 H2 A 0.417000 1.0079 + 6577 SYS 2193 TIP3 O1 C -0.834000 15.9994 + 6578 SYS 2193 TIP3 H1 A 0.417000 1.0079 + 6579 SYS 2193 TIP3 H2 A 0.417000 1.0079 + 6580 SYS 2194 TIP3 O1 C -0.834000 15.9994 + 6581 SYS 2194 TIP3 H1 A 0.417000 1.0079 + 6582 SYS 2194 TIP3 H2 A 0.417000 1.0079 + 6583 SYS 2195 TIP3 O1 C -0.834000 15.9994 + 6584 SYS 2195 TIP3 H1 A 0.417000 1.0079 + 6585 SYS 2195 TIP3 H2 A 0.417000 1.0079 + 6586 SYS 2196 TIP3 O1 C -0.834000 15.9994 + 6587 SYS 2196 TIP3 H1 A 0.417000 1.0079 + 6588 SYS 2196 TIP3 H2 A 0.417000 1.0079 + 6589 SYS 2197 TIP3 O1 C -0.834000 15.9994 + 6590 SYS 2197 TIP3 H1 A 0.417000 1.0079 + 6591 SYS 2197 TIP3 H2 A 0.417000 1.0079 + 6592 SYS 2198 TIP3 O1 C -0.834000 15.9994 + 6593 SYS 2198 TIP3 H1 A 0.417000 1.0079 + 6594 SYS 2198 TIP3 H2 A 0.417000 1.0079 + 6595 SYS 2199 TIP3 O1 C -0.834000 15.9994 + 6596 SYS 2199 TIP3 H1 A 0.417000 1.0079 + 6597 SYS 2199 TIP3 H2 A 0.417000 1.0079 + 6598 SYS 2200 TIP3 O1 C -0.834000 15.9994 + 6599 SYS 2200 TIP3 H1 A 0.417000 1.0079 + 6600 SYS 2200 TIP3 H2 A 0.417000 1.0079 + 6601 SYS 2201 TIP3 O1 C -0.834000 15.9994 + 6602 SYS 2201 TIP3 H1 A 0.417000 1.0079 + 6603 SYS 2201 TIP3 H2 A 0.417000 1.0079 + 6604 SYS 2202 TIP3 O1 C -0.834000 15.9994 + 6605 SYS 2202 TIP3 H1 A 0.417000 1.0079 + 6606 SYS 2202 TIP3 H2 A 0.417000 1.0079 + 6607 SYS 2203 TIP3 O1 C -0.834000 15.9994 + 6608 SYS 2203 TIP3 H1 A 0.417000 1.0079 + 6609 SYS 2203 TIP3 H2 A 0.417000 1.0079 + 6610 SYS 2204 TIP3 O1 C -0.834000 15.9994 + 6611 SYS 2204 TIP3 H1 A 0.417000 1.0079 + 6612 SYS 2204 TIP3 H2 A 0.417000 1.0079 + 6613 SYS 2205 TIP3 O1 C -0.834000 15.9994 + 6614 SYS 2205 TIP3 H1 A 0.417000 1.0079 + 6615 SYS 2205 TIP3 H2 A 0.417000 1.0079 + 6616 SYS 2206 TIP3 O1 C -0.834000 15.9994 + 6617 SYS 2206 TIP3 H1 A 0.417000 1.0079 + 6618 SYS 2206 TIP3 H2 A 0.417000 1.0079 + 6619 SYS 2207 TIP3 O1 C -0.834000 15.9994 + 6620 SYS 2207 TIP3 H1 A 0.417000 1.0079 + 6621 SYS 2207 TIP3 H2 A 0.417000 1.0079 + 6622 SYS 2208 TIP3 O1 C -0.834000 15.9994 + 6623 SYS 2208 TIP3 H1 A 0.417000 1.0079 + 6624 SYS 2208 TIP3 H2 A 0.417000 1.0079 + 6625 SYS 2209 TIP3 O1 C -0.834000 15.9994 + 6626 SYS 2209 TIP3 H1 A 0.417000 1.0079 + 6627 SYS 2209 TIP3 H2 A 0.417000 1.0079 + 6628 SYS 2210 TIP3 O1 C -0.834000 15.9994 + 6629 SYS 2210 TIP3 H1 A 0.417000 1.0079 + 6630 SYS 2210 TIP3 H2 A 0.417000 1.0079 + 6631 SYS 2211 TIP3 O1 C -0.834000 15.9994 + 6632 SYS 2211 TIP3 H1 A 0.417000 1.0079 + 6633 SYS 2211 TIP3 H2 A 0.417000 1.0079 + 6634 SYS 2212 TIP3 O1 C -0.834000 15.9994 + 6635 SYS 2212 TIP3 H1 A 0.417000 1.0079 + 6636 SYS 2212 TIP3 H2 A 0.417000 1.0079 + 6637 SYS 2213 TIP3 O1 C -0.834000 15.9994 + 6638 SYS 2213 TIP3 H1 A 0.417000 1.0079 + 6639 SYS 2213 TIP3 H2 A 0.417000 1.0079 + 6640 SYS 2214 TIP3 O1 C -0.834000 15.9994 + 6641 SYS 2214 TIP3 H1 A 0.417000 1.0079 + 6642 SYS 2214 TIP3 H2 A 0.417000 1.0079 + 6643 SYS 2215 TIP3 O1 C -0.834000 15.9994 + 6644 SYS 2215 TIP3 H1 A 0.417000 1.0079 + 6645 SYS 2215 TIP3 H2 A 0.417000 1.0079 + 6646 SYS 2216 TIP3 O1 C -0.834000 15.9994 + 6647 SYS 2216 TIP3 H1 A 0.417000 1.0079 + 6648 SYS 2216 TIP3 H2 A 0.417000 1.0079 + 6649 SYS 2217 TIP3 O1 C -0.834000 15.9994 + 6650 SYS 2217 TIP3 H1 A 0.417000 1.0079 + 6651 SYS 2217 TIP3 H2 A 0.417000 1.0079 + 6652 SYS 2218 TIP3 O1 C -0.834000 15.9994 + 6653 SYS 2218 TIP3 H1 A 0.417000 1.0079 + 6654 SYS 2218 TIP3 H2 A 0.417000 1.0079 + 6655 SYS 2219 TIP3 O1 C -0.834000 15.9994 + 6656 SYS 2219 TIP3 H1 A 0.417000 1.0079 + 6657 SYS 2219 TIP3 H2 A 0.417000 1.0079 + 6658 SYS 2220 TIP3 O1 C -0.834000 15.9994 + 6659 SYS 2220 TIP3 H1 A 0.417000 1.0079 + 6660 SYS 2220 TIP3 H2 A 0.417000 1.0079 + 6661 SYS 2221 TIP3 O1 C -0.834000 15.9994 + 6662 SYS 2221 TIP3 H1 A 0.417000 1.0079 + 6663 SYS 2221 TIP3 H2 A 0.417000 1.0079 + 6664 SYS 2222 TIP3 O1 C -0.834000 15.9994 + 6665 SYS 2222 TIP3 H1 A 0.417000 1.0079 + 6666 SYS 2222 TIP3 H2 A 0.417000 1.0079 + 6667 SYS 2223 TIP3 O1 C -0.834000 15.9994 + 6668 SYS 2223 TIP3 H1 A 0.417000 1.0079 + 6669 SYS 2223 TIP3 H2 A 0.417000 1.0079 + 6670 SYS 2224 TIP3 O1 C -0.834000 15.9994 + 6671 SYS 2224 TIP3 H1 A 0.417000 1.0079 + 6672 SYS 2224 TIP3 H2 A 0.417000 1.0079 + 6673 SYS 2225 TIP3 O1 C -0.834000 15.9994 + 6674 SYS 2225 TIP3 H1 A 0.417000 1.0079 + 6675 SYS 2225 TIP3 H2 A 0.417000 1.0079 + 6676 SYS 2226 TIP3 O1 C -0.834000 15.9994 + 6677 SYS 2226 TIP3 H1 A 0.417000 1.0079 + 6678 SYS 2226 TIP3 H2 A 0.417000 1.0079 + 6679 SYS 2227 TIP3 O1 C -0.834000 15.9994 + 6680 SYS 2227 TIP3 H1 A 0.417000 1.0079 + 6681 SYS 2227 TIP3 H2 A 0.417000 1.0079 + 6682 SYS 2228 TIP3 O1 C -0.834000 15.9994 + 6683 SYS 2228 TIP3 H1 A 0.417000 1.0079 + 6684 SYS 2228 TIP3 H2 A 0.417000 1.0079 + 6685 SYS 2229 TIP3 O1 C -0.834000 15.9994 + 6686 SYS 2229 TIP3 H1 A 0.417000 1.0079 + 6687 SYS 2229 TIP3 H2 A 0.417000 1.0079 + 6688 SYS 2230 TIP3 O1 C -0.834000 15.9994 + 6689 SYS 2230 TIP3 H1 A 0.417000 1.0079 + 6690 SYS 2230 TIP3 H2 A 0.417000 1.0079 + 6691 SYS 2231 TIP3 O1 C -0.834000 15.9994 + 6692 SYS 2231 TIP3 H1 A 0.417000 1.0079 + 6693 SYS 2231 TIP3 H2 A 0.417000 1.0079 + 6694 SYS 2232 TIP3 O1 C -0.834000 15.9994 + 6695 SYS 2232 TIP3 H1 A 0.417000 1.0079 + 6696 SYS 2232 TIP3 H2 A 0.417000 1.0079 + 6697 SYS 2233 TIP3 O1 C -0.834000 15.9994 + 6698 SYS 2233 TIP3 H1 A 0.417000 1.0079 + 6699 SYS 2233 TIP3 H2 A 0.417000 1.0079 + 6700 SYS 2234 TIP3 O1 C -0.834000 15.9994 + 6701 SYS 2234 TIP3 H1 A 0.417000 1.0079 + 6702 SYS 2234 TIP3 H2 A 0.417000 1.0079 + 6703 SYS 2235 TIP3 O1 C -0.834000 15.9994 + 6704 SYS 2235 TIP3 H1 A 0.417000 1.0079 + 6705 SYS 2235 TIP3 H2 A 0.417000 1.0079 + 6706 SYS 2236 TIP3 O1 C -0.834000 15.9994 + 6707 SYS 2236 TIP3 H1 A 0.417000 1.0079 + 6708 SYS 2236 TIP3 H2 A 0.417000 1.0079 + 6709 SYS 2237 TIP3 O1 C -0.834000 15.9994 + 6710 SYS 2237 TIP3 H1 A 0.417000 1.0079 + 6711 SYS 2237 TIP3 H2 A 0.417000 1.0079 + 6712 SYS 2238 TIP3 O1 C -0.834000 15.9994 + 6713 SYS 2238 TIP3 H1 A 0.417000 1.0079 + 6714 SYS 2238 TIP3 H2 A 0.417000 1.0079 + 6715 SYS 2239 TIP3 O1 C -0.834000 15.9994 + 6716 SYS 2239 TIP3 H1 A 0.417000 1.0079 + 6717 SYS 2239 TIP3 H2 A 0.417000 1.0079 + 6718 SYS 2240 TIP3 O1 C -0.834000 15.9994 + 6719 SYS 2240 TIP3 H1 A 0.417000 1.0079 + 6720 SYS 2240 TIP3 H2 A 0.417000 1.0079 + 6721 SYS 2241 TIP3 O1 C -0.834000 15.9994 + 6722 SYS 2241 TIP3 H1 A 0.417000 1.0079 + 6723 SYS 2241 TIP3 H2 A 0.417000 1.0079 + 6724 SYS 2242 TIP3 O1 C -0.834000 15.9994 + 6725 SYS 2242 TIP3 H1 A 0.417000 1.0079 + 6726 SYS 2242 TIP3 H2 A 0.417000 1.0079 + 6727 SYS 2243 TIP3 O1 C -0.834000 15.9994 + 6728 SYS 2243 TIP3 H1 A 0.417000 1.0079 + 6729 SYS 2243 TIP3 H2 A 0.417000 1.0079 + 6730 SYS 2244 TIP3 O1 C -0.834000 15.9994 + 6731 SYS 2244 TIP3 H1 A 0.417000 1.0079 + 6732 SYS 2244 TIP3 H2 A 0.417000 1.0079 + 6733 SYS 2245 TIP3 O1 C -0.834000 15.9994 + 6734 SYS 2245 TIP3 H1 A 0.417000 1.0079 + 6735 SYS 2245 TIP3 H2 A 0.417000 1.0079 + 6736 SYS 2246 TIP3 O1 C -0.834000 15.9994 + 6737 SYS 2246 TIP3 H1 A 0.417000 1.0079 + 6738 SYS 2246 TIP3 H2 A 0.417000 1.0079 + 6739 SYS 2247 TIP3 O1 C -0.834000 15.9994 + 6740 SYS 2247 TIP3 H1 A 0.417000 1.0079 + 6741 SYS 2247 TIP3 H2 A 0.417000 1.0079 + 6742 SYS 2248 TIP3 O1 C -0.834000 15.9994 + 6743 SYS 2248 TIP3 H1 A 0.417000 1.0079 + 6744 SYS 2248 TIP3 H2 A 0.417000 1.0079 + 6745 SYS 2249 TIP3 O1 C -0.834000 15.9994 + 6746 SYS 2249 TIP3 H1 A 0.417000 1.0079 + 6747 SYS 2249 TIP3 H2 A 0.417000 1.0079 + 6748 SYS 2250 TIP3 O1 C -0.834000 15.9994 + 6749 SYS 2250 TIP3 H1 A 0.417000 1.0079 + 6750 SYS 2250 TIP3 H2 A 0.417000 1.0079 + 6751 SYS 2251 TIP3 O1 C -0.834000 15.9994 + 6752 SYS 2251 TIP3 H1 A 0.417000 1.0079 + 6753 SYS 2251 TIP3 H2 A 0.417000 1.0079 + 6754 SYS 2252 TIP3 O1 C -0.834000 15.9994 + 6755 SYS 2252 TIP3 H1 A 0.417000 1.0079 + 6756 SYS 2252 TIP3 H2 A 0.417000 1.0079 + 6757 SYS 2253 TIP3 O1 C -0.834000 15.9994 + 6758 SYS 2253 TIP3 H1 A 0.417000 1.0079 + 6759 SYS 2253 TIP3 H2 A 0.417000 1.0079 + 6760 SYS 2254 TIP3 O1 C -0.834000 15.9994 + 6761 SYS 2254 TIP3 H1 A 0.417000 1.0079 + 6762 SYS 2254 TIP3 H2 A 0.417000 1.0079 + 6763 SYS 2255 TIP3 O1 C -0.834000 15.9994 + 6764 SYS 2255 TIP3 H1 A 0.417000 1.0079 + 6765 SYS 2255 TIP3 H2 A 0.417000 1.0079 + 6766 SYS 2256 TIP3 O1 C -0.834000 15.9994 + 6767 SYS 2256 TIP3 H1 A 0.417000 1.0079 + 6768 SYS 2256 TIP3 H2 A 0.417000 1.0079 + 6769 SYS 2257 TIP3 O1 C -0.834000 15.9994 + 6770 SYS 2257 TIP3 H1 A 0.417000 1.0079 + 6771 SYS 2257 TIP3 H2 A 0.417000 1.0079 + 6772 SYS 2258 TIP3 O1 C -0.834000 15.9994 + 6773 SYS 2258 TIP3 H1 A 0.417000 1.0079 + 6774 SYS 2258 TIP3 H2 A 0.417000 1.0079 + 6775 SYS 2259 TIP3 O1 C -0.834000 15.9994 + 6776 SYS 2259 TIP3 H1 A 0.417000 1.0079 + 6777 SYS 2259 TIP3 H2 A 0.417000 1.0079 + 6778 SYS 2260 TIP3 O1 C -0.834000 15.9994 + 6779 SYS 2260 TIP3 H1 A 0.417000 1.0079 + 6780 SYS 2260 TIP3 H2 A 0.417000 1.0079 + 6781 SYS 2261 TIP3 O1 C -0.834000 15.9994 + 6782 SYS 2261 TIP3 H1 A 0.417000 1.0079 + 6783 SYS 2261 TIP3 H2 A 0.417000 1.0079 + 6784 SYS 2262 TIP3 O1 C -0.834000 15.9994 + 6785 SYS 2262 TIP3 H1 A 0.417000 1.0079 + 6786 SYS 2262 TIP3 H2 A 0.417000 1.0079 + 6787 SYS 2263 TIP3 O1 C -0.834000 15.9994 + 6788 SYS 2263 TIP3 H1 A 0.417000 1.0079 + 6789 SYS 2263 TIP3 H2 A 0.417000 1.0079 + 6790 SYS 2264 TIP3 O1 C -0.834000 15.9994 + 6791 SYS 2264 TIP3 H1 A 0.417000 1.0079 + 6792 SYS 2264 TIP3 H2 A 0.417000 1.0079 + 6793 SYS 2265 TIP3 O1 C -0.834000 15.9994 + 6794 SYS 2265 TIP3 H1 A 0.417000 1.0079 + 6795 SYS 2265 TIP3 H2 A 0.417000 1.0079 + 6796 SYS 2266 TIP3 O1 C -0.834000 15.9994 + 6797 SYS 2266 TIP3 H1 A 0.417000 1.0079 + 6798 SYS 2266 TIP3 H2 A 0.417000 1.0079 + 6799 SYS 2267 TIP3 O1 C -0.834000 15.9994 + 6800 SYS 2267 TIP3 H1 A 0.417000 1.0079 + 6801 SYS 2267 TIP3 H2 A 0.417000 1.0079 + 6802 SYS 2268 TIP3 O1 C -0.834000 15.9994 + 6803 SYS 2268 TIP3 H1 A 0.417000 1.0079 + 6804 SYS 2268 TIP3 H2 A 0.417000 1.0079 + 6805 SYS 2269 TIP3 O1 C -0.834000 15.9994 + 6806 SYS 2269 TIP3 H1 A 0.417000 1.0079 + 6807 SYS 2269 TIP3 H2 A 0.417000 1.0079 + 6808 SYS 2270 TIP3 O1 C -0.834000 15.9994 + 6809 SYS 2270 TIP3 H1 A 0.417000 1.0079 + 6810 SYS 2270 TIP3 H2 A 0.417000 1.0079 + 6811 SYS 2271 TIP3 O1 C -0.834000 15.9994 + 6812 SYS 2271 TIP3 H1 A 0.417000 1.0079 + 6813 SYS 2271 TIP3 H2 A 0.417000 1.0079 + 6814 SYS 2272 TIP3 O1 C -0.834000 15.9994 + 6815 SYS 2272 TIP3 H1 A 0.417000 1.0079 + 6816 SYS 2272 TIP3 H2 A 0.417000 1.0079 + 6817 SYS 2273 TIP3 O1 C -0.834000 15.9994 + 6818 SYS 2273 TIP3 H1 A 0.417000 1.0079 + 6819 SYS 2273 TIP3 H2 A 0.417000 1.0079 + 6820 SYS 2274 TIP3 O1 C -0.834000 15.9994 + 6821 SYS 2274 TIP3 H1 A 0.417000 1.0079 + 6822 SYS 2274 TIP3 H2 A 0.417000 1.0079 + 6823 SYS 2275 TIP3 O1 C -0.834000 15.9994 + 6824 SYS 2275 TIP3 H1 A 0.417000 1.0079 + 6825 SYS 2275 TIP3 H2 A 0.417000 1.0079 + 6826 SYS 2276 TIP3 O1 C -0.834000 15.9994 + 6827 SYS 2276 TIP3 H1 A 0.417000 1.0079 + 6828 SYS 2276 TIP3 H2 A 0.417000 1.0079 + 6829 SYS 2277 TIP3 O1 C -0.834000 15.9994 + 6830 SYS 2277 TIP3 H1 A 0.417000 1.0079 + 6831 SYS 2277 TIP3 H2 A 0.417000 1.0079 + 6832 SYS 2278 TIP3 O1 C -0.834000 15.9994 + 6833 SYS 2278 TIP3 H1 A 0.417000 1.0079 + 6834 SYS 2278 TIP3 H2 A 0.417000 1.0079 + 6835 SYS 2279 TIP3 O1 C -0.834000 15.9994 + 6836 SYS 2279 TIP3 H1 A 0.417000 1.0079 + 6837 SYS 2279 TIP3 H2 A 0.417000 1.0079 + 6838 SYS 2280 TIP3 O1 C -0.834000 15.9994 + 6839 SYS 2280 TIP3 H1 A 0.417000 1.0079 + 6840 SYS 2280 TIP3 H2 A 0.417000 1.0079 + 6841 SYS 2281 TIP3 O1 C -0.834000 15.9994 + 6842 SYS 2281 TIP3 H1 A 0.417000 1.0079 + 6843 SYS 2281 TIP3 H2 A 0.417000 1.0079 + 6844 SYS 2282 TIP3 O1 C -0.834000 15.9994 + 6845 SYS 2282 TIP3 H1 A 0.417000 1.0079 + 6846 SYS 2282 TIP3 H2 A 0.417000 1.0079 + 6847 SYS 2283 TIP3 O1 C -0.834000 15.9994 + 6848 SYS 2283 TIP3 H1 A 0.417000 1.0079 + 6849 SYS 2283 TIP3 H2 A 0.417000 1.0079 + 6850 SYS 2284 TIP3 O1 C -0.834000 15.9994 + 6851 SYS 2284 TIP3 H1 A 0.417000 1.0079 + 6852 SYS 2284 TIP3 H2 A 0.417000 1.0079 + 6853 SYS 2285 TIP3 O1 C -0.834000 15.9994 + 6854 SYS 2285 TIP3 H1 A 0.417000 1.0079 + 6855 SYS 2285 TIP3 H2 A 0.417000 1.0079 + 6856 SYS 2286 TIP3 O1 C -0.834000 15.9994 + 6857 SYS 2286 TIP3 H1 A 0.417000 1.0079 + 6858 SYS 2286 TIP3 H2 A 0.417000 1.0079 + 6859 SYS 2287 TIP3 O1 C -0.834000 15.9994 + 6860 SYS 2287 TIP3 H1 A 0.417000 1.0079 + 6861 SYS 2287 TIP3 H2 A 0.417000 1.0079 + 6862 SYS 2288 TIP3 O1 C -0.834000 15.9994 + 6863 SYS 2288 TIP3 H1 A 0.417000 1.0079 + 6864 SYS 2288 TIP3 H2 A 0.417000 1.0079 + 6865 SYS 2289 TIP3 O1 C -0.834000 15.9994 + 6866 SYS 2289 TIP3 H1 A 0.417000 1.0079 + 6867 SYS 2289 TIP3 H2 A 0.417000 1.0079 + 6868 SYS 2290 TIP3 O1 C -0.834000 15.9994 + 6869 SYS 2290 TIP3 H1 A 0.417000 1.0079 + 6870 SYS 2290 TIP3 H2 A 0.417000 1.0079 + 6871 SYS 2291 TIP3 O1 C -0.834000 15.9994 + 6872 SYS 2291 TIP3 H1 A 0.417000 1.0079 + 6873 SYS 2291 TIP3 H2 A 0.417000 1.0079 + 6874 SYS 2292 TIP3 O1 C -0.834000 15.9994 + 6875 SYS 2292 TIP3 H1 A 0.417000 1.0079 + 6876 SYS 2292 TIP3 H2 A 0.417000 1.0079 + 6877 SYS 2293 TIP3 O1 C -0.834000 15.9994 + 6878 SYS 2293 TIP3 H1 A 0.417000 1.0079 + 6879 SYS 2293 TIP3 H2 A 0.417000 1.0079 + 6880 SYS 2294 TIP3 O1 C -0.834000 15.9994 + 6881 SYS 2294 TIP3 H1 A 0.417000 1.0079 + 6882 SYS 2294 TIP3 H2 A 0.417000 1.0079 + 6883 SYS 2295 TIP3 O1 C -0.834000 15.9994 + 6884 SYS 2295 TIP3 H1 A 0.417000 1.0079 + 6885 SYS 2295 TIP3 H2 A 0.417000 1.0079 + 6886 SYS 2296 TIP3 O1 C -0.834000 15.9994 + 6887 SYS 2296 TIP3 H1 A 0.417000 1.0079 + 6888 SYS 2296 TIP3 H2 A 0.417000 1.0079 + 6889 SYS 2297 TIP3 O1 C -0.834000 15.9994 + 6890 SYS 2297 TIP3 H1 A 0.417000 1.0079 + 6891 SYS 2297 TIP3 H2 A 0.417000 1.0079 + 6892 SYS 2298 TIP3 O1 C -0.834000 15.9994 + 6893 SYS 2298 TIP3 H1 A 0.417000 1.0079 + 6894 SYS 2298 TIP3 H2 A 0.417000 1.0079 + 6895 SYS 2299 TIP3 O1 C -0.834000 15.9994 + 6896 SYS 2299 TIP3 H1 A 0.417000 1.0079 + 6897 SYS 2299 TIP3 H2 A 0.417000 1.0079 + 6898 SYS 2300 TIP3 O1 C -0.834000 15.9994 + 6899 SYS 2300 TIP3 H1 A 0.417000 1.0079 + 6900 SYS 2300 TIP3 H2 A 0.417000 1.0079 + 6901 SYS 2301 TIP3 O1 C -0.834000 15.9994 + 6902 SYS 2301 TIP3 H1 A 0.417000 1.0079 + 6903 SYS 2301 TIP3 H2 A 0.417000 1.0079 + 6904 SYS 2302 TIP3 O1 C -0.834000 15.9994 + 6905 SYS 2302 TIP3 H1 A 0.417000 1.0079 + 6906 SYS 2302 TIP3 H2 A 0.417000 1.0079 + 6907 SYS 2303 TIP3 O1 C -0.834000 15.9994 + 6908 SYS 2303 TIP3 H1 A 0.417000 1.0079 + 6909 SYS 2303 TIP3 H2 A 0.417000 1.0079 + 6910 SYS 2304 TIP3 O1 C -0.834000 15.9994 + 6911 SYS 2304 TIP3 H1 A 0.417000 1.0079 + 6912 SYS 2304 TIP3 H2 A 0.417000 1.0079 + 6913 SYS 2305 TIP3 O1 C -0.834000 15.9994 + 6914 SYS 2305 TIP3 H1 A 0.417000 1.0079 + 6915 SYS 2305 TIP3 H2 A 0.417000 1.0079 + 6916 SYS 2306 TIP3 O1 C -0.834000 15.9994 + 6917 SYS 2306 TIP3 H1 A 0.417000 1.0079 + 6918 SYS 2306 TIP3 H2 A 0.417000 1.0079 + 6919 SYS 2307 TIP3 O1 C -0.834000 15.9994 + 6920 SYS 2307 TIP3 H1 A 0.417000 1.0079 + 6921 SYS 2307 TIP3 H2 A 0.417000 1.0079 + 6922 SYS 2308 TIP3 O1 C -0.834000 15.9994 + 6923 SYS 2308 TIP3 H1 A 0.417000 1.0079 + 6924 SYS 2308 TIP3 H2 A 0.417000 1.0079 + 6925 SYS 2309 TIP3 O1 C -0.834000 15.9994 + 6926 SYS 2309 TIP3 H1 A 0.417000 1.0079 + 6927 SYS 2309 TIP3 H2 A 0.417000 1.0079 + 6928 SYS 2310 TIP3 O1 C -0.834000 15.9994 + 6929 SYS 2310 TIP3 H1 A 0.417000 1.0079 + 6930 SYS 2310 TIP3 H2 A 0.417000 1.0079 + 6931 SYS 2311 TIP3 O1 C -0.834000 15.9994 + 6932 SYS 2311 TIP3 H1 A 0.417000 1.0079 + 6933 SYS 2311 TIP3 H2 A 0.417000 1.0079 + 6934 SYS 2312 TIP3 O1 C -0.834000 15.9994 + 6935 SYS 2312 TIP3 H1 A 0.417000 1.0079 + 6936 SYS 2312 TIP3 H2 A 0.417000 1.0079 + 6937 SYS 2313 TIP3 O1 C -0.834000 15.9994 + 6938 SYS 2313 TIP3 H1 A 0.417000 1.0079 + 6939 SYS 2313 TIP3 H2 A 0.417000 1.0079 + 6940 SYS 2314 TIP3 O1 C -0.834000 15.9994 + 6941 SYS 2314 TIP3 H1 A 0.417000 1.0079 + 6942 SYS 2314 TIP3 H2 A 0.417000 1.0079 + 6943 SYS 2315 TIP3 O1 C -0.834000 15.9994 + 6944 SYS 2315 TIP3 H1 A 0.417000 1.0079 + 6945 SYS 2315 TIP3 H2 A 0.417000 1.0079 + 6946 SYS 2316 TIP3 O1 C -0.834000 15.9994 + 6947 SYS 2316 TIP3 H1 A 0.417000 1.0079 + 6948 SYS 2316 TIP3 H2 A 0.417000 1.0079 + 6949 SYS 2317 TIP3 O1 C -0.834000 15.9994 + 6950 SYS 2317 TIP3 H1 A 0.417000 1.0079 + 6951 SYS 2317 TIP3 H2 A 0.417000 1.0079 + 6952 SYS 2318 TIP3 O1 C -0.834000 15.9994 + 6953 SYS 2318 TIP3 H1 A 0.417000 1.0079 + 6954 SYS 2318 TIP3 H2 A 0.417000 1.0079 + 6955 SYS 2319 TIP3 O1 C -0.834000 15.9994 + 6956 SYS 2319 TIP3 H1 A 0.417000 1.0079 + 6957 SYS 2319 TIP3 H2 A 0.417000 1.0079 + 6958 SYS 2320 TIP3 O1 C -0.834000 15.9994 + 6959 SYS 2320 TIP3 H1 A 0.417000 1.0079 + 6960 SYS 2320 TIP3 H2 A 0.417000 1.0079 + 6961 SYS 2321 TIP3 O1 C -0.834000 15.9994 + 6962 SYS 2321 TIP3 H1 A 0.417000 1.0079 + 6963 SYS 2321 TIP3 H2 A 0.417000 1.0079 + 6964 SYS 2322 TIP3 O1 C -0.834000 15.9994 + 6965 SYS 2322 TIP3 H1 A 0.417000 1.0079 + 6966 SYS 2322 TIP3 H2 A 0.417000 1.0079 + 6967 SYS 2323 TIP3 O1 C -0.834000 15.9994 + 6968 SYS 2323 TIP3 H1 A 0.417000 1.0079 + 6969 SYS 2323 TIP3 H2 A 0.417000 1.0079 + 6970 SYS 2324 TIP3 O1 C -0.834000 15.9994 + 6971 SYS 2324 TIP3 H1 A 0.417000 1.0079 + 6972 SYS 2324 TIP3 H2 A 0.417000 1.0079 + 6973 SYS 2325 TIP3 O1 C -0.834000 15.9994 + 6974 SYS 2325 TIP3 H1 A 0.417000 1.0079 + 6975 SYS 2325 TIP3 H2 A 0.417000 1.0079 + 6976 SYS 2326 TIP3 O1 C -0.834000 15.9994 + 6977 SYS 2326 TIP3 H1 A 0.417000 1.0079 + 6978 SYS 2326 TIP3 H2 A 0.417000 1.0079 + 6979 SYS 2327 TIP3 O1 C -0.834000 15.9994 + 6980 SYS 2327 TIP3 H1 A 0.417000 1.0079 + 6981 SYS 2327 TIP3 H2 A 0.417000 1.0079 + 6982 SYS 2328 TIP3 O1 C -0.834000 15.9994 + 6983 SYS 2328 TIP3 H1 A 0.417000 1.0079 + 6984 SYS 2328 TIP3 H2 A 0.417000 1.0079 + 6985 SYS 2329 TIP3 O1 C -0.834000 15.9994 + 6986 SYS 2329 TIP3 H1 A 0.417000 1.0079 + 6987 SYS 2329 TIP3 H2 A 0.417000 1.0079 + 6988 SYS 2330 TIP3 O1 C -0.834000 15.9994 + 6989 SYS 2330 TIP3 H1 A 0.417000 1.0079 + 6990 SYS 2330 TIP3 H2 A 0.417000 1.0079 + 6991 SYS 2331 TIP3 O1 C -0.834000 15.9994 + 6992 SYS 2331 TIP3 H1 A 0.417000 1.0079 + 6993 SYS 2331 TIP3 H2 A 0.417000 1.0079 + 6994 SYS 2332 TIP3 O1 C -0.834000 15.9994 + 6995 SYS 2332 TIP3 H1 A 0.417000 1.0079 + 6996 SYS 2332 TIP3 H2 A 0.417000 1.0079 + 6997 SYS 2333 TIP3 O1 C -0.834000 15.9994 + 6998 SYS 2333 TIP3 H1 A 0.417000 1.0079 + 6999 SYS 2333 TIP3 H2 A 0.417000 1.0079 + 7000 SYS 2334 TIP3 O1 C -0.834000 15.9994 + 7001 SYS 2334 TIP3 H1 A 0.417000 1.0079 + 7002 SYS 2334 TIP3 H2 A 0.417000 1.0079 + 7003 SYS 2335 TIP3 O1 C -0.834000 15.9994 + 7004 SYS 2335 TIP3 H1 A 0.417000 1.0079 + 7005 SYS 2335 TIP3 H2 A 0.417000 1.0079 + 7006 SYS 2336 TIP3 O1 C -0.834000 15.9994 + 7007 SYS 2336 TIP3 H1 A 0.417000 1.0079 + 7008 SYS 2336 TIP3 H2 A 0.417000 1.0079 + 7009 SYS 2337 TIP3 O1 C -0.834000 15.9994 + 7010 SYS 2337 TIP3 H1 A 0.417000 1.0079 + 7011 SYS 2337 TIP3 H2 A 0.417000 1.0079 + 7012 SYS 2338 TIP3 O1 C -0.834000 15.9994 + 7013 SYS 2338 TIP3 H1 A 0.417000 1.0079 + 7014 SYS 2338 TIP3 H2 A 0.417000 1.0079 + 7015 SYS 2339 TIP3 O1 C -0.834000 15.9994 + 7016 SYS 2339 TIP3 H1 A 0.417000 1.0079 + 7017 SYS 2339 TIP3 H2 A 0.417000 1.0079 + 7018 SYS 2340 TIP3 O1 C -0.834000 15.9994 + 7019 SYS 2340 TIP3 H1 A 0.417000 1.0079 + 7020 SYS 2340 TIP3 H2 A 0.417000 1.0079 + 7021 SYS 2341 TIP3 O1 C -0.834000 15.9994 + 7022 SYS 2341 TIP3 H1 A 0.417000 1.0079 + 7023 SYS 2341 TIP3 H2 A 0.417000 1.0079 + 7024 SYS 2342 TIP3 O1 C -0.834000 15.9994 + 7025 SYS 2342 TIP3 H1 A 0.417000 1.0079 + 7026 SYS 2342 TIP3 H2 A 0.417000 1.0079 + 7027 SYS 2343 TIP3 O1 C -0.834000 15.9994 + 7028 SYS 2343 TIP3 H1 A 0.417000 1.0079 + 7029 SYS 2343 TIP3 H2 A 0.417000 1.0079 + 7030 SYS 2344 TIP3 O1 C -0.834000 15.9994 + 7031 SYS 2344 TIP3 H1 A 0.417000 1.0079 + 7032 SYS 2344 TIP3 H2 A 0.417000 1.0079 + 7033 SYS 2345 TIP3 O1 C -0.834000 15.9994 + 7034 SYS 2345 TIP3 H1 A 0.417000 1.0079 + 7035 SYS 2345 TIP3 H2 A 0.417000 1.0079 + 7036 SYS 2346 TIP3 O1 C -0.834000 15.9994 + 7037 SYS 2346 TIP3 H1 A 0.417000 1.0079 + 7038 SYS 2346 TIP3 H2 A 0.417000 1.0079 + 7039 SYS 2347 TIP3 O1 C -0.834000 15.9994 + 7040 SYS 2347 TIP3 H1 A 0.417000 1.0079 + 7041 SYS 2347 TIP3 H2 A 0.417000 1.0079 + 7042 SYS 2348 TIP3 O1 C -0.834000 15.9994 + 7043 SYS 2348 TIP3 H1 A 0.417000 1.0079 + 7044 SYS 2348 TIP3 H2 A 0.417000 1.0079 + 7045 SYS 2349 TIP3 O1 C -0.834000 15.9994 + 7046 SYS 2349 TIP3 H1 A 0.417000 1.0079 + 7047 SYS 2349 TIP3 H2 A 0.417000 1.0079 + 7048 SYS 2350 TIP3 O1 C -0.834000 15.9994 + 7049 SYS 2350 TIP3 H1 A 0.417000 1.0079 + 7050 SYS 2350 TIP3 H2 A 0.417000 1.0079 + 7051 SYS 2351 TIP3 O1 C -0.834000 15.9994 + 7052 SYS 2351 TIP3 H1 A 0.417000 1.0079 + 7053 SYS 2351 TIP3 H2 A 0.417000 1.0079 + 7054 SYS 2352 TIP3 O1 C -0.834000 15.9994 + 7055 SYS 2352 TIP3 H1 A 0.417000 1.0079 + 7056 SYS 2352 TIP3 H2 A 0.417000 1.0079 + 7057 SYS 2353 TIP3 O1 C -0.834000 15.9994 + 7058 SYS 2353 TIP3 H1 A 0.417000 1.0079 + 7059 SYS 2353 TIP3 H2 A 0.417000 1.0079 + 7060 SYS 2354 TIP3 O1 C -0.834000 15.9994 + 7061 SYS 2354 TIP3 H1 A 0.417000 1.0079 + 7062 SYS 2354 TIP3 H2 A 0.417000 1.0079 + 7063 SYS 2355 TIP3 O1 C -0.834000 15.9994 + 7064 SYS 2355 TIP3 H1 A 0.417000 1.0079 + 7065 SYS 2355 TIP3 H2 A 0.417000 1.0079 + 7066 SYS 2356 TIP3 O1 C -0.834000 15.9994 + 7067 SYS 2356 TIP3 H1 A 0.417000 1.0079 + 7068 SYS 2356 TIP3 H2 A 0.417000 1.0079 + 7069 SYS 2357 TIP3 O1 C -0.834000 15.9994 + 7070 SYS 2357 TIP3 H1 A 0.417000 1.0079 + 7071 SYS 2357 TIP3 H2 A 0.417000 1.0079 + 7072 SYS 2358 TIP3 O1 C -0.834000 15.9994 + 7073 SYS 2358 TIP3 H1 A 0.417000 1.0079 + 7074 SYS 2358 TIP3 H2 A 0.417000 1.0079 + 7075 SYS 2359 TIP3 O1 C -0.834000 15.9994 + 7076 SYS 2359 TIP3 H1 A 0.417000 1.0079 + 7077 SYS 2359 TIP3 H2 A 0.417000 1.0079 + 7078 SYS 2360 TIP3 O1 C -0.834000 15.9994 + 7079 SYS 2360 TIP3 H1 A 0.417000 1.0079 + 7080 SYS 2360 TIP3 H2 A 0.417000 1.0079 + 7081 SYS 2361 TIP3 O1 C -0.834000 15.9994 + 7082 SYS 2361 TIP3 H1 A 0.417000 1.0079 + 7083 SYS 2361 TIP3 H2 A 0.417000 1.0079 + 7084 SYS 2362 TIP3 O1 C -0.834000 15.9994 + 7085 SYS 2362 TIP3 H1 A 0.417000 1.0079 + 7086 SYS 2362 TIP3 H2 A 0.417000 1.0079 + 7087 SYS 2363 TIP3 O1 C -0.834000 15.9994 + 7088 SYS 2363 TIP3 H1 A 0.417000 1.0079 + 7089 SYS 2363 TIP3 H2 A 0.417000 1.0079 + 7090 SYS 2364 TIP3 O1 C -0.834000 15.9994 + 7091 SYS 2364 TIP3 H1 A 0.417000 1.0079 + 7092 SYS 2364 TIP3 H2 A 0.417000 1.0079 + 7093 SYS 2365 TIP3 O1 C -0.834000 15.9994 + 7094 SYS 2365 TIP3 H1 A 0.417000 1.0079 + 7095 SYS 2365 TIP3 H2 A 0.417000 1.0079 + 7096 SYS 2366 TIP3 O1 C -0.834000 15.9994 + 7097 SYS 2366 TIP3 H1 A 0.417000 1.0079 + 7098 SYS 2366 TIP3 H2 A 0.417000 1.0079 + 7099 SYS 2367 TIP3 O1 C -0.834000 15.9994 + 7100 SYS 2367 TIP3 H1 A 0.417000 1.0079 + 7101 SYS 2367 TIP3 H2 A 0.417000 1.0079 + 7102 SYS 2368 TIP3 O1 C -0.834000 15.9994 + 7103 SYS 2368 TIP3 H1 A 0.417000 1.0079 + 7104 SYS 2368 TIP3 H2 A 0.417000 1.0079 + 7105 SYS 2369 TIP3 O1 C -0.834000 15.9994 + 7106 SYS 2369 TIP3 H1 A 0.417000 1.0079 + 7107 SYS 2369 TIP3 H2 A 0.417000 1.0079 + 7108 SYS 2370 TIP3 O1 C -0.834000 15.9994 + 7109 SYS 2370 TIP3 H1 A 0.417000 1.0079 + 7110 SYS 2370 TIP3 H2 A 0.417000 1.0079 + 7111 SYS 2371 TIP3 O1 C -0.834000 15.9994 + 7112 SYS 2371 TIP3 H1 A 0.417000 1.0079 + 7113 SYS 2371 TIP3 H2 A 0.417000 1.0079 + 7114 SYS 2372 TIP3 O1 C -0.834000 15.9994 + 7115 SYS 2372 TIP3 H1 A 0.417000 1.0079 + 7116 SYS 2372 TIP3 H2 A 0.417000 1.0079 + 7117 SYS 2373 TIP3 O1 C -0.834000 15.9994 + 7118 SYS 2373 TIP3 H1 A 0.417000 1.0079 + 7119 SYS 2373 TIP3 H2 A 0.417000 1.0079 + 7120 SYS 2374 TIP3 O1 C -0.834000 15.9994 + 7121 SYS 2374 TIP3 H1 A 0.417000 1.0079 + 7122 SYS 2374 TIP3 H2 A 0.417000 1.0079 + 7123 SYS 2375 TIP3 O1 C -0.834000 15.9994 + 7124 SYS 2375 TIP3 H1 A 0.417000 1.0079 + 7125 SYS 2375 TIP3 H2 A 0.417000 1.0079 + 7126 SYS 2376 TIP3 O1 C -0.834000 15.9994 + 7127 SYS 2376 TIP3 H1 A 0.417000 1.0079 + 7128 SYS 2376 TIP3 H2 A 0.417000 1.0079 + 7129 SYS 2377 TIP3 O1 C -0.834000 15.9994 + 7130 SYS 2377 TIP3 H1 A 0.417000 1.0079 + 7131 SYS 2377 TIP3 H2 A 0.417000 1.0079 + 7132 SYS 2378 TIP3 O1 C -0.834000 15.9994 + 7133 SYS 2378 TIP3 H1 A 0.417000 1.0079 + 7134 SYS 2378 TIP3 H2 A 0.417000 1.0079 + 7135 SYS 2379 TIP3 O1 C -0.834000 15.9994 + 7136 SYS 2379 TIP3 H1 A 0.417000 1.0079 + 7137 SYS 2379 TIP3 H2 A 0.417000 1.0079 + 7138 SYS 2380 TIP3 O1 C -0.834000 15.9994 + 7139 SYS 2380 TIP3 H1 A 0.417000 1.0079 + 7140 SYS 2380 TIP3 H2 A 0.417000 1.0079 + 7141 SYS 2381 TIP3 O1 C -0.834000 15.9994 + 7142 SYS 2381 TIP3 H1 A 0.417000 1.0079 + 7143 SYS 2381 TIP3 H2 A 0.417000 1.0079 + 7144 SYS 2382 TIP3 O1 C -0.834000 15.9994 + 7145 SYS 2382 TIP3 H1 A 0.417000 1.0079 + 7146 SYS 2382 TIP3 H2 A 0.417000 1.0079 + 7147 SYS 2383 TIP3 O1 C -0.834000 15.9994 + 7148 SYS 2383 TIP3 H1 A 0.417000 1.0079 + 7149 SYS 2383 TIP3 H2 A 0.417000 1.0079 + 7150 SYS 2384 TIP3 O1 C -0.834000 15.9994 + 7151 SYS 2384 TIP3 H1 A 0.417000 1.0079 + 7152 SYS 2384 TIP3 H2 A 0.417000 1.0079 + 7153 SYS 2385 TIP3 O1 C -0.834000 15.9994 + 7154 SYS 2385 TIP3 H1 A 0.417000 1.0079 + 7155 SYS 2385 TIP3 H2 A 0.417000 1.0079 + 7156 SYS 2386 TIP3 O1 C -0.834000 15.9994 + 7157 SYS 2386 TIP3 H1 A 0.417000 1.0079 + 7158 SYS 2386 TIP3 H2 A 0.417000 1.0079 + 7159 SYS 2387 TIP3 O1 C -0.834000 15.9994 + 7160 SYS 2387 TIP3 H1 A 0.417000 1.0079 + 7161 SYS 2387 TIP3 H2 A 0.417000 1.0079 + 7162 SYS 2388 TIP3 O1 C -0.834000 15.9994 + 7163 SYS 2388 TIP3 H1 A 0.417000 1.0079 + 7164 SYS 2388 TIP3 H2 A 0.417000 1.0079 + 7165 SYS 2389 TIP3 O1 C -0.834000 15.9994 + 7166 SYS 2389 TIP3 H1 A 0.417000 1.0079 + 7167 SYS 2389 TIP3 H2 A 0.417000 1.0079 + 7168 SYS 2390 TIP3 O1 C -0.834000 15.9994 + 7169 SYS 2390 TIP3 H1 A 0.417000 1.0079 + 7170 SYS 2390 TIP3 H2 A 0.417000 1.0079 + 7171 SYS 2391 TIP3 O1 C -0.834000 15.9994 + 7172 SYS 2391 TIP3 H1 A 0.417000 1.0079 + 7173 SYS 2391 TIP3 H2 A 0.417000 1.0079 + 7174 SYS 2392 TIP3 O1 C -0.834000 15.9994 + 7175 SYS 2392 TIP3 H1 A 0.417000 1.0079 + 7176 SYS 2392 TIP3 H2 A 0.417000 1.0079 + 7177 SYS 2393 TIP3 O1 C -0.834000 15.9994 + 7178 SYS 2393 TIP3 H1 A 0.417000 1.0079 + 7179 SYS 2393 TIP3 H2 A 0.417000 1.0079 + 7180 SYS 2394 TIP3 O1 C -0.834000 15.9994 + 7181 SYS 2394 TIP3 H1 A 0.417000 1.0079 + 7182 SYS 2394 TIP3 H2 A 0.417000 1.0079 + 7183 SYS 2395 TIP3 O1 C -0.834000 15.9994 + 7184 SYS 2395 TIP3 H1 A 0.417000 1.0079 + 7185 SYS 2395 TIP3 H2 A 0.417000 1.0079 + 7186 SYS 2396 TIP3 O1 C -0.834000 15.9994 + 7187 SYS 2396 TIP3 H1 A 0.417000 1.0079 + 7188 SYS 2396 TIP3 H2 A 0.417000 1.0079 + 7189 SYS 2397 TIP3 O1 C -0.834000 15.9994 + 7190 SYS 2397 TIP3 H1 A 0.417000 1.0079 + 7191 SYS 2397 TIP3 H2 A 0.417000 1.0079 + 7192 SYS 2398 TIP3 O1 C -0.834000 15.9994 + 7193 SYS 2398 TIP3 H1 A 0.417000 1.0079 + 7194 SYS 2398 TIP3 H2 A 0.417000 1.0079 + 7195 SYS 2399 TIP3 O1 C -0.834000 15.9994 + 7196 SYS 2399 TIP3 H1 A 0.417000 1.0079 + 7197 SYS 2399 TIP3 H2 A 0.417000 1.0079 + 7198 SYS 2400 TIP3 O1 C -0.834000 15.9994 + 7199 SYS 2400 TIP3 H1 A 0.417000 1.0079 + 7200 SYS 2400 TIP3 H2 A 0.417000 1.0079 + 7201 SYS 2401 TIP3 O1 C -0.834000 15.9994 + 7202 SYS 2401 TIP3 H1 A 0.417000 1.0079 + 7203 SYS 2401 TIP3 H2 A 0.417000 1.0079 + 7204 SYS 2402 TIP3 O1 C -0.834000 15.9994 + 7205 SYS 2402 TIP3 H1 A 0.417000 1.0079 + 7206 SYS 2402 TIP3 H2 A 0.417000 1.0079 + 7207 SYS 2403 TIP3 O1 C -0.834000 15.9994 + 7208 SYS 2403 TIP3 H1 A 0.417000 1.0079 + 7209 SYS 2403 TIP3 H2 A 0.417000 1.0079 + 7210 SYS 2404 TIP3 O1 C -0.834000 15.9994 + 7211 SYS 2404 TIP3 H1 A 0.417000 1.0079 + 7212 SYS 2404 TIP3 H2 A 0.417000 1.0079 + 7213 SYS 2405 TIP3 O1 C -0.834000 15.9994 + 7214 SYS 2405 TIP3 H1 A 0.417000 1.0079 + 7215 SYS 2405 TIP3 H2 A 0.417000 1.0079 + 7216 SYS 2406 TIP3 O1 C -0.834000 15.9994 + 7217 SYS 2406 TIP3 H1 A 0.417000 1.0079 + 7218 SYS 2406 TIP3 H2 A 0.417000 1.0079 + 7219 SYS 2407 TIP3 O1 C -0.834000 15.9994 + 7220 SYS 2407 TIP3 H1 A 0.417000 1.0079 + 7221 SYS 2407 TIP3 H2 A 0.417000 1.0079 + 7222 SYS 2408 TIP3 O1 C -0.834000 15.9994 + 7223 SYS 2408 TIP3 H1 A 0.417000 1.0079 + 7224 SYS 2408 TIP3 H2 A 0.417000 1.0079 + 7225 SYS 2409 TIP3 O1 C -0.834000 15.9994 + 7226 SYS 2409 TIP3 H1 A 0.417000 1.0079 + 7227 SYS 2409 TIP3 H2 A 0.417000 1.0079 + 7228 SYS 2410 TIP3 O1 C -0.834000 15.9994 + 7229 SYS 2410 TIP3 H1 A 0.417000 1.0079 + 7230 SYS 2410 TIP3 H2 A 0.417000 1.0079 + 7231 SYS 2411 TIP3 O1 C -0.834000 15.9994 + 7232 SYS 2411 TIP3 H1 A 0.417000 1.0079 + 7233 SYS 2411 TIP3 H2 A 0.417000 1.0079 + 7234 SYS 2412 TIP3 O1 C -0.834000 15.9994 + 7235 SYS 2412 TIP3 H1 A 0.417000 1.0079 + 7236 SYS 2412 TIP3 H2 A 0.417000 1.0079 + 7237 SYS 2413 TIP3 O1 C -0.834000 15.9994 + 7238 SYS 2413 TIP3 H1 A 0.417000 1.0079 + 7239 SYS 2413 TIP3 H2 A 0.417000 1.0079 + 7240 SYS 2414 TIP3 O1 C -0.834000 15.9994 + 7241 SYS 2414 TIP3 H1 A 0.417000 1.0079 + 7242 SYS 2414 TIP3 H2 A 0.417000 1.0079 + 7243 SYS 2415 TIP3 O1 C -0.834000 15.9994 + 7244 SYS 2415 TIP3 H1 A 0.417000 1.0079 + 7245 SYS 2415 TIP3 H2 A 0.417000 1.0079 + 7246 SYS 2416 TIP3 O1 C -0.834000 15.9994 + 7247 SYS 2416 TIP3 H1 A 0.417000 1.0079 + 7248 SYS 2416 TIP3 H2 A 0.417000 1.0079 + 7249 SYS 2417 TIP3 O1 C -0.834000 15.9994 + 7250 SYS 2417 TIP3 H1 A 0.417000 1.0079 + 7251 SYS 2417 TIP3 H2 A 0.417000 1.0079 + 7252 SYS 2418 TIP3 O1 C -0.834000 15.9994 + 7253 SYS 2418 TIP3 H1 A 0.417000 1.0079 + 7254 SYS 2418 TIP3 H2 A 0.417000 1.0079 + 7255 SYS 2419 TIP3 O1 C -0.834000 15.9994 + 7256 SYS 2419 TIP3 H1 A 0.417000 1.0079 + 7257 SYS 2419 TIP3 H2 A 0.417000 1.0079 + 7258 SYS 2420 TIP3 O1 C -0.834000 15.9994 + 7259 SYS 2420 TIP3 H1 A 0.417000 1.0079 + 7260 SYS 2420 TIP3 H2 A 0.417000 1.0079 + 7261 SYS 2421 TIP3 O1 C -0.834000 15.9994 + 7262 SYS 2421 TIP3 H1 A 0.417000 1.0079 + 7263 SYS 2421 TIP3 H2 A 0.417000 1.0079 + 7264 SYS 2422 TIP3 O1 C -0.834000 15.9994 + 7265 SYS 2422 TIP3 H1 A 0.417000 1.0079 + 7266 SYS 2422 TIP3 H2 A 0.417000 1.0079 + 7267 SYS 2423 TIP3 O1 C -0.834000 15.9994 + 7268 SYS 2423 TIP3 H1 A 0.417000 1.0079 + 7269 SYS 2423 TIP3 H2 A 0.417000 1.0079 + 7270 SYS 2424 TIP3 O1 C -0.834000 15.9994 + 7271 SYS 2424 TIP3 H1 A 0.417000 1.0079 + 7272 SYS 2424 TIP3 H2 A 0.417000 1.0079 + 7273 SYS 2425 TIP3 O1 C -0.834000 15.9994 + 7274 SYS 2425 TIP3 H1 A 0.417000 1.0079 + 7275 SYS 2425 TIP3 H2 A 0.417000 1.0079 + 7276 SYS 2426 TIP3 O1 C -0.834000 15.9994 + 7277 SYS 2426 TIP3 H1 A 0.417000 1.0079 + 7278 SYS 2426 TIP3 H2 A 0.417000 1.0079 + 7279 SYS 2427 TIP3 O1 C -0.834000 15.9994 + 7280 SYS 2427 TIP3 H1 A 0.417000 1.0079 + 7281 SYS 2427 TIP3 H2 A 0.417000 1.0079 + 7282 SYS 2428 TIP3 O1 C -0.834000 15.9994 + 7283 SYS 2428 TIP3 H1 A 0.417000 1.0079 + 7284 SYS 2428 TIP3 H2 A 0.417000 1.0079 + 7285 SYS 2429 TIP3 O1 C -0.834000 15.9994 + 7286 SYS 2429 TIP3 H1 A 0.417000 1.0079 + 7287 SYS 2429 TIP3 H2 A 0.417000 1.0079 + 7288 SYS 2430 TIP3 O1 C -0.834000 15.9994 + 7289 SYS 2430 TIP3 H1 A 0.417000 1.0079 + 7290 SYS 2430 TIP3 H2 A 0.417000 1.0079 + 7291 SYS 2431 TIP3 O1 C -0.834000 15.9994 + 7292 SYS 2431 TIP3 H1 A 0.417000 1.0079 + 7293 SYS 2431 TIP3 H2 A 0.417000 1.0079 + 7294 SYS 2432 TIP3 O1 C -0.834000 15.9994 + 7295 SYS 2432 TIP3 H1 A 0.417000 1.0079 + 7296 SYS 2432 TIP3 H2 A 0.417000 1.0079 + 7297 SYS 2433 TIP3 O1 C -0.834000 15.9994 + 7298 SYS 2433 TIP3 H1 A 0.417000 1.0079 + 7299 SYS 2433 TIP3 H2 A 0.417000 1.0079 + 7300 SYS 2434 TIP3 O1 C -0.834000 15.9994 + 7301 SYS 2434 TIP3 H1 A 0.417000 1.0079 + 7302 SYS 2434 TIP3 H2 A 0.417000 1.0079 + 7303 SYS 2435 TIP3 O1 C -0.834000 15.9994 + 7304 SYS 2435 TIP3 H1 A 0.417000 1.0079 + 7305 SYS 2435 TIP3 H2 A 0.417000 1.0079 + 7306 SYS 2436 TIP3 O1 C -0.834000 15.9994 + 7307 SYS 2436 TIP3 H1 A 0.417000 1.0079 + 7308 SYS 2436 TIP3 H2 A 0.417000 1.0079 + 7309 SYS 2437 TIP3 O1 C -0.834000 15.9994 + 7310 SYS 2437 TIP3 H1 A 0.417000 1.0079 + 7311 SYS 2437 TIP3 H2 A 0.417000 1.0079 + 7312 SYS 2438 TIP3 O1 C -0.834000 15.9994 + 7313 SYS 2438 TIP3 H1 A 0.417000 1.0079 + 7314 SYS 2438 TIP3 H2 A 0.417000 1.0079 + 7315 SYS 2439 TIP3 O1 C -0.834000 15.9994 + 7316 SYS 2439 TIP3 H1 A 0.417000 1.0079 + 7317 SYS 2439 TIP3 H2 A 0.417000 1.0079 + 7318 SYS 2440 TIP3 O1 C -0.834000 15.9994 + 7319 SYS 2440 TIP3 H1 A 0.417000 1.0079 + 7320 SYS 2440 TIP3 H2 A 0.417000 1.0079 + 7321 SYS 2441 TIP3 O1 C -0.834000 15.9994 + 7322 SYS 2441 TIP3 H1 A 0.417000 1.0079 + 7323 SYS 2441 TIP3 H2 A 0.417000 1.0079 + 7324 SYS 2442 TIP3 O1 C -0.834000 15.9994 + 7325 SYS 2442 TIP3 H1 A 0.417000 1.0079 + 7326 SYS 2442 TIP3 H2 A 0.417000 1.0079 + 7327 SYS 2443 TIP3 O1 C -0.834000 15.9994 + 7328 SYS 2443 TIP3 H1 A 0.417000 1.0079 + 7329 SYS 2443 TIP3 H2 A 0.417000 1.0079 + 7330 SYS 2444 TIP3 O1 C -0.834000 15.9994 + 7331 SYS 2444 TIP3 H1 A 0.417000 1.0079 + 7332 SYS 2444 TIP3 H2 A 0.417000 1.0079 + 7333 SYS 2445 TIP3 O1 C -0.834000 15.9994 + 7334 SYS 2445 TIP3 H1 A 0.417000 1.0079 + 7335 SYS 2445 TIP3 H2 A 0.417000 1.0079 + 7336 SYS 2446 TIP3 O1 C -0.834000 15.9994 + 7337 SYS 2446 TIP3 H1 A 0.417000 1.0079 + 7338 SYS 2446 TIP3 H2 A 0.417000 1.0079 + 7339 SYS 2447 TIP3 O1 C -0.834000 15.9994 + 7340 SYS 2447 TIP3 H1 A 0.417000 1.0079 + 7341 SYS 2447 TIP3 H2 A 0.417000 1.0079 + 7342 SYS 2448 TIP3 O1 C -0.834000 15.9994 + 7343 SYS 2448 TIP3 H1 A 0.417000 1.0079 + 7344 SYS 2448 TIP3 H2 A 0.417000 1.0079 + 7345 SYS 2449 TIP3 O1 C -0.834000 15.9994 + 7346 SYS 2449 TIP3 H1 A 0.417000 1.0079 + 7347 SYS 2449 TIP3 H2 A 0.417000 1.0079 + 7348 SYS 2450 TIP3 O1 C -0.834000 15.9994 + 7349 SYS 2450 TIP3 H1 A 0.417000 1.0079 + 7350 SYS 2450 TIP3 H2 A 0.417000 1.0079 + 7351 SYS 2451 TIP3 O1 C -0.834000 15.9994 + 7352 SYS 2451 TIP3 H1 A 0.417000 1.0079 + 7353 SYS 2451 TIP3 H2 A 0.417000 1.0079 + 7354 SYS 2452 TIP3 O1 C -0.834000 15.9994 + 7355 SYS 2452 TIP3 H1 A 0.417000 1.0079 + 7356 SYS 2452 TIP3 H2 A 0.417000 1.0079 + 7357 SYS 2453 TIP3 O1 C -0.834000 15.9994 + 7358 SYS 2453 TIP3 H1 A 0.417000 1.0079 + 7359 SYS 2453 TIP3 H2 A 0.417000 1.0079 + 7360 SYS 2454 TIP3 O1 C -0.834000 15.9994 + 7361 SYS 2454 TIP3 H1 A 0.417000 1.0079 + 7362 SYS 2454 TIP3 H2 A 0.417000 1.0079 + 7363 SYS 2455 TIP3 O1 C -0.834000 15.9994 + 7364 SYS 2455 TIP3 H1 A 0.417000 1.0079 + 7365 SYS 2455 TIP3 H2 A 0.417000 1.0079 + 7366 SYS 2456 TIP3 O1 C -0.834000 15.9994 + 7367 SYS 2456 TIP3 H1 A 0.417000 1.0079 + 7368 SYS 2456 TIP3 H2 A 0.417000 1.0079 + 7369 SYS 2457 TIP3 O1 C -0.834000 15.9994 + 7370 SYS 2457 TIP3 H1 A 0.417000 1.0079 + 7371 SYS 2457 TIP3 H2 A 0.417000 1.0079 + 7372 SYS 2458 TIP3 O1 C -0.834000 15.9994 + 7373 SYS 2458 TIP3 H1 A 0.417000 1.0079 + 7374 SYS 2458 TIP3 H2 A 0.417000 1.0079 + 7375 SYS 2459 TIP3 O1 C -0.834000 15.9994 + 7376 SYS 2459 TIP3 H1 A 0.417000 1.0079 + 7377 SYS 2459 TIP3 H2 A 0.417000 1.0079 + 7378 SYS 2460 TIP3 O1 C -0.834000 15.9994 + 7379 SYS 2460 TIP3 H1 A 0.417000 1.0079 + 7380 SYS 2460 TIP3 H2 A 0.417000 1.0079 + 7381 SYS 2461 TIP3 O1 C -0.834000 15.9994 + 7382 SYS 2461 TIP3 H1 A 0.417000 1.0079 + 7383 SYS 2461 TIP3 H2 A 0.417000 1.0079 + 7384 SYS 2462 TIP3 O1 C -0.834000 15.9994 + 7385 SYS 2462 TIP3 H1 A 0.417000 1.0079 + 7386 SYS 2462 TIP3 H2 A 0.417000 1.0079 + 7387 SYS 2463 TIP3 O1 C -0.834000 15.9994 + 7388 SYS 2463 TIP3 H1 A 0.417000 1.0079 + 7389 SYS 2463 TIP3 H2 A 0.417000 1.0079 + 7390 SYS 2464 TIP3 O1 C -0.834000 15.9994 + 7391 SYS 2464 TIP3 H1 A 0.417000 1.0079 + 7392 SYS 2464 TIP3 H2 A 0.417000 1.0079 + 7393 SYS 2465 TIP3 O1 C -0.834000 15.9994 + 7394 SYS 2465 TIP3 H1 A 0.417000 1.0079 + 7395 SYS 2465 TIP3 H2 A 0.417000 1.0079 + 7396 SYS 2466 TIP3 O1 C -0.834000 15.9994 + 7397 SYS 2466 TIP3 H1 A 0.417000 1.0079 + 7398 SYS 2466 TIP3 H2 A 0.417000 1.0079 + 7399 SYS 2467 TIP3 O1 C -0.834000 15.9994 + 7400 SYS 2467 TIP3 H1 A 0.417000 1.0079 + 7401 SYS 2467 TIP3 H2 A 0.417000 1.0079 + 7402 SYS 2468 TIP3 O1 C -0.834000 15.9994 + 7403 SYS 2468 TIP3 H1 A 0.417000 1.0079 + 7404 SYS 2468 TIP3 H2 A 0.417000 1.0079 + 7405 SYS 2469 TIP3 O1 C -0.834000 15.9994 + 7406 SYS 2469 TIP3 H1 A 0.417000 1.0079 + 7407 SYS 2469 TIP3 H2 A 0.417000 1.0079 + 7408 SYS 2470 TIP3 O1 C -0.834000 15.9994 + 7409 SYS 2470 TIP3 H1 A 0.417000 1.0079 + 7410 SYS 2470 TIP3 H2 A 0.417000 1.0079 + 7411 SYS 2471 TIP3 O1 C -0.834000 15.9994 + 7412 SYS 2471 TIP3 H1 A 0.417000 1.0079 + 7413 SYS 2471 TIP3 H2 A 0.417000 1.0079 + 7414 SYS 2472 TIP3 O1 C -0.834000 15.9994 + 7415 SYS 2472 TIP3 H1 A 0.417000 1.0079 + 7416 SYS 2472 TIP3 H2 A 0.417000 1.0079 + 7417 SYS 2473 TIP3 O1 C -0.834000 15.9994 + 7418 SYS 2473 TIP3 H1 A 0.417000 1.0079 + 7419 SYS 2473 TIP3 H2 A 0.417000 1.0079 + 7420 SYS 2474 TIP3 O1 C -0.834000 15.9994 + 7421 SYS 2474 TIP3 H1 A 0.417000 1.0079 + 7422 SYS 2474 TIP3 H2 A 0.417000 1.0079 + 7423 SYS 2475 TIP3 O1 C -0.834000 15.9994 + 7424 SYS 2475 TIP3 H1 A 0.417000 1.0079 + 7425 SYS 2475 TIP3 H2 A 0.417000 1.0079 + 7426 SYS 2476 TIP3 O1 C -0.834000 15.9994 + 7427 SYS 2476 TIP3 H1 A 0.417000 1.0079 + 7428 SYS 2476 TIP3 H2 A 0.417000 1.0079 + 7429 SYS 2477 TIP3 O1 C -0.834000 15.9994 + 7430 SYS 2477 TIP3 H1 A 0.417000 1.0079 + 7431 SYS 2477 TIP3 H2 A 0.417000 1.0079 + 7432 SYS 2478 TIP3 O1 C -0.834000 15.9994 + 7433 SYS 2478 TIP3 H1 A 0.417000 1.0079 + 7434 SYS 2478 TIP3 H2 A 0.417000 1.0079 + 7435 SYS 2479 TIP3 O1 C -0.834000 15.9994 + 7436 SYS 2479 TIP3 H1 A 0.417000 1.0079 + 7437 SYS 2479 TIP3 H2 A 0.417000 1.0079 + 7438 SYS 2480 TIP3 O1 C -0.834000 15.9994 + 7439 SYS 2480 TIP3 H1 A 0.417000 1.0079 + 7440 SYS 2480 TIP3 H2 A 0.417000 1.0079 + 7441 SYS 2481 TIP3 O1 C -0.834000 15.9994 + 7442 SYS 2481 TIP3 H1 A 0.417000 1.0079 + 7443 SYS 2481 TIP3 H2 A 0.417000 1.0079 + 7444 SYS 2482 TIP3 O1 C -0.834000 15.9994 + 7445 SYS 2482 TIP3 H1 A 0.417000 1.0079 + 7446 SYS 2482 TIP3 H2 A 0.417000 1.0079 + 7447 SYS 2483 TIP3 O1 C -0.834000 15.9994 + 7448 SYS 2483 TIP3 H1 A 0.417000 1.0079 + 7449 SYS 2483 TIP3 H2 A 0.417000 1.0079 + 7450 SYS 2484 TIP3 O1 C -0.834000 15.9994 + 7451 SYS 2484 TIP3 H1 A 0.417000 1.0079 + 7452 SYS 2484 TIP3 H2 A 0.417000 1.0079 + 7453 SYS 2485 TIP3 O1 C -0.834000 15.9994 + 7454 SYS 2485 TIP3 H1 A 0.417000 1.0079 + 7455 SYS 2485 TIP3 H2 A 0.417000 1.0079 + 7456 SYS 2486 TIP3 O1 C -0.834000 15.9994 + 7457 SYS 2486 TIP3 H1 A 0.417000 1.0079 + 7458 SYS 2486 TIP3 H2 A 0.417000 1.0079 + 7459 SYS 2487 TIP3 O1 C -0.834000 15.9994 + 7460 SYS 2487 TIP3 H1 A 0.417000 1.0079 + 7461 SYS 2487 TIP3 H2 A 0.417000 1.0079 + 7462 SYS 2488 TIP3 O1 C -0.834000 15.9994 + 7463 SYS 2488 TIP3 H1 A 0.417000 1.0079 + 7464 SYS 2488 TIP3 H2 A 0.417000 1.0079 + 7465 SYS 2489 TIP3 O1 C -0.834000 15.9994 + 7466 SYS 2489 TIP3 H1 A 0.417000 1.0079 + 7467 SYS 2489 TIP3 H2 A 0.417000 1.0079 + 7468 SYS 2490 TIP3 O1 C -0.834000 15.9994 + 7469 SYS 2490 TIP3 H1 A 0.417000 1.0079 + 7470 SYS 2490 TIP3 H2 A 0.417000 1.0079 + 7471 SYS 2491 TIP3 O1 C -0.834000 15.9994 + 7472 SYS 2491 TIP3 H1 A 0.417000 1.0079 + 7473 SYS 2491 TIP3 H2 A 0.417000 1.0079 + 7474 SYS 2492 TIP3 O1 C -0.834000 15.9994 + 7475 SYS 2492 TIP3 H1 A 0.417000 1.0079 + 7476 SYS 2492 TIP3 H2 A 0.417000 1.0079 + 7477 SYS 2493 TIP3 O1 C -0.834000 15.9994 + 7478 SYS 2493 TIP3 H1 A 0.417000 1.0079 + 7479 SYS 2493 TIP3 H2 A 0.417000 1.0079 + 7480 SYS 2494 TIP3 O1 C -0.834000 15.9994 + 7481 SYS 2494 TIP3 H1 A 0.417000 1.0079 + 7482 SYS 2494 TIP3 H2 A 0.417000 1.0079 + 7483 SYS 2495 TIP3 O1 C -0.834000 15.9994 + 7484 SYS 2495 TIP3 H1 A 0.417000 1.0079 + 7485 SYS 2495 TIP3 H2 A 0.417000 1.0079 + 7486 SYS 2496 TIP3 O1 C -0.834000 15.9994 + 7487 SYS 2496 TIP3 H1 A 0.417000 1.0079 + 7488 SYS 2496 TIP3 H2 A 0.417000 1.0079 + 7489 SYS 2497 TIP3 O1 C -0.834000 15.9994 + 7490 SYS 2497 TIP3 H1 A 0.417000 1.0079 + 7491 SYS 2497 TIP3 H2 A 0.417000 1.0079 + 7492 SYS 2498 TIP3 O1 C -0.834000 15.9994 + 7493 SYS 2498 TIP3 H1 A 0.417000 1.0079 + 7494 SYS 2498 TIP3 H2 A 0.417000 1.0079 + 7495 SYS 2499 TIP3 O1 C -0.834000 15.9994 + 7496 SYS 2499 TIP3 H1 A 0.417000 1.0079 + 7497 SYS 2499 TIP3 H2 A 0.417000 1.0079 + 7498 SYS 2500 TIP3 O1 C -0.834000 15.9994 + 7499 SYS 2500 TIP3 H1 A 0.417000 1.0079 + 7500 SYS 2500 TIP3 H2 A 0.417000 1.0079 + 7501 SYS 2501 TIP3 O1 C -0.834000 15.9994 + 7502 SYS 2501 TIP3 H1 A 0.417000 1.0079 + 7503 SYS 2501 TIP3 H2 A 0.417000 1.0079 + 7504 SYS 2502 TIP3 O1 C -0.834000 15.9994 + 7505 SYS 2502 TIP3 H1 A 0.417000 1.0079 + 7506 SYS 2502 TIP3 H2 A 0.417000 1.0079 + 7507 SYS 2503 TIP3 O1 C -0.834000 15.9994 + 7508 SYS 2503 TIP3 H1 A 0.417000 1.0079 + 7509 SYS 2503 TIP3 H2 A 0.417000 1.0079 + 7510 SYS 2504 TIP3 O1 C -0.834000 15.9994 + 7511 SYS 2504 TIP3 H1 A 0.417000 1.0079 + 7512 SYS 2504 TIP3 H2 A 0.417000 1.0079 + 7513 SYS 2505 TIP3 O1 C -0.834000 15.9994 + 7514 SYS 2505 TIP3 H1 A 0.417000 1.0079 + 7515 SYS 2505 TIP3 H2 A 0.417000 1.0079 + 7516 SYS 2506 TIP3 O1 C -0.834000 15.9994 + 7517 SYS 2506 TIP3 H1 A 0.417000 1.0079 + 7518 SYS 2506 TIP3 H2 A 0.417000 1.0079 + 7519 SYS 2507 TIP3 O1 C -0.834000 15.9994 + 7520 SYS 2507 TIP3 H1 A 0.417000 1.0079 + 7521 SYS 2507 TIP3 H2 A 0.417000 1.0079 + 7522 SYS 2508 TIP3 O1 C -0.834000 15.9994 + 7523 SYS 2508 TIP3 H1 A 0.417000 1.0079 + 7524 SYS 2508 TIP3 H2 A 0.417000 1.0079 + 7525 SYS 2509 TIP3 O1 C -0.834000 15.9994 + 7526 SYS 2509 TIP3 H1 A 0.417000 1.0079 + 7527 SYS 2509 TIP3 H2 A 0.417000 1.0079 + 7528 SYS 2510 TIP3 O1 C -0.834000 15.9994 + 7529 SYS 2510 TIP3 H1 A 0.417000 1.0079 + 7530 SYS 2510 TIP3 H2 A 0.417000 1.0079 + 7531 SYS 2511 TIP3 O1 C -0.834000 15.9994 + 7532 SYS 2511 TIP3 H1 A 0.417000 1.0079 + 7533 SYS 2511 TIP3 H2 A 0.417000 1.0079 + 7534 SYS 2512 TIP3 O1 C -0.834000 15.9994 + 7535 SYS 2512 TIP3 H1 A 0.417000 1.0079 + 7536 SYS 2512 TIP3 H2 A 0.417000 1.0079 + 7537 SYS 2513 TIP3 O1 C -0.834000 15.9994 + 7538 SYS 2513 TIP3 H1 A 0.417000 1.0079 + 7539 SYS 2513 TIP3 H2 A 0.417000 1.0079 + 7540 SYS 2514 TIP3 O1 C -0.834000 15.9994 + 7541 SYS 2514 TIP3 H1 A 0.417000 1.0079 + 7542 SYS 2514 TIP3 H2 A 0.417000 1.0079 + 7543 SYS 2515 TIP3 O1 C -0.834000 15.9994 + 7544 SYS 2515 TIP3 H1 A 0.417000 1.0079 + 7545 SYS 2515 TIP3 H2 A 0.417000 1.0079 + 7546 SYS 2516 TIP3 O1 C -0.834000 15.9994 + 7547 SYS 2516 TIP3 H1 A 0.417000 1.0079 + 7548 SYS 2516 TIP3 H2 A 0.417000 1.0079 + 7549 SYS 2517 TIP3 O1 C -0.834000 15.9994 + 7550 SYS 2517 TIP3 H1 A 0.417000 1.0079 + 7551 SYS 2517 TIP3 H2 A 0.417000 1.0079 + 7552 SYS 2518 TIP3 O1 C -0.834000 15.9994 + 7553 SYS 2518 TIP3 H1 A 0.417000 1.0079 + 7554 SYS 2518 TIP3 H2 A 0.417000 1.0079 + 7555 SYS 2519 TIP3 O1 C -0.834000 15.9994 + 7556 SYS 2519 TIP3 H1 A 0.417000 1.0079 + 7557 SYS 2519 TIP3 H2 A 0.417000 1.0079 + 7558 SYS 2520 TIP3 O1 C -0.834000 15.9994 + 7559 SYS 2520 TIP3 H1 A 0.417000 1.0079 + 7560 SYS 2520 TIP3 H2 A 0.417000 1.0079 + 7561 SYS 2521 TIP3 O1 C -0.834000 15.9994 + 7562 SYS 2521 TIP3 H1 A 0.417000 1.0079 + 7563 SYS 2521 TIP3 H2 A 0.417000 1.0079 + 7564 SYS 2522 TIP3 O1 C -0.834000 15.9994 + 7565 SYS 2522 TIP3 H1 A 0.417000 1.0079 + 7566 SYS 2522 TIP3 H2 A 0.417000 1.0079 + 7567 SYS 2523 TIP3 O1 C -0.834000 15.9994 + 7568 SYS 2523 TIP3 H1 A 0.417000 1.0079 + 7569 SYS 2523 TIP3 H2 A 0.417000 1.0079 + 7570 SYS 2524 TIP3 O1 C -0.834000 15.9994 + 7571 SYS 2524 TIP3 H1 A 0.417000 1.0079 + 7572 SYS 2524 TIP3 H2 A 0.417000 1.0079 + 7573 SYS 2525 TIP3 O1 C -0.834000 15.9994 + 7574 SYS 2525 TIP3 H1 A 0.417000 1.0079 + 7575 SYS 2525 TIP3 H2 A 0.417000 1.0079 + 7576 SYS 2526 TIP3 O1 C -0.834000 15.9994 + 7577 SYS 2526 TIP3 H1 A 0.417000 1.0079 + 7578 SYS 2526 TIP3 H2 A 0.417000 1.0079 + 7579 SYS 2527 TIP3 O1 C -0.834000 15.9994 + 7580 SYS 2527 TIP3 H1 A 0.417000 1.0079 + 7581 SYS 2527 TIP3 H2 A 0.417000 1.0079 + 7582 SYS 2528 TIP3 O1 C -0.834000 15.9994 + 7583 SYS 2528 TIP3 H1 A 0.417000 1.0079 + 7584 SYS 2528 TIP3 H2 A 0.417000 1.0079 + 7585 SYS 2529 TIP3 O1 C -0.834000 15.9994 + 7586 SYS 2529 TIP3 H1 A 0.417000 1.0079 + 7587 SYS 2529 TIP3 H2 A 0.417000 1.0079 + 7588 SYS 2530 TIP3 O1 C -0.834000 15.9994 + 7589 SYS 2530 TIP3 H1 A 0.417000 1.0079 + 7590 SYS 2530 TIP3 H2 A 0.417000 1.0079 + 7591 SYS 2531 TIP3 O1 C -0.834000 15.9994 + 7592 SYS 2531 TIP3 H1 A 0.417000 1.0079 + 7593 SYS 2531 TIP3 H2 A 0.417000 1.0079 + 7594 SYS 2532 TIP3 O1 C -0.834000 15.9994 + 7595 SYS 2532 TIP3 H1 A 0.417000 1.0079 + 7596 SYS 2532 TIP3 H2 A 0.417000 1.0079 + 7597 SYS 2533 TIP3 O1 C -0.834000 15.9994 + 7598 SYS 2533 TIP3 H1 A 0.417000 1.0079 + 7599 SYS 2533 TIP3 H2 A 0.417000 1.0079 + 7600 SYS 2534 TIP3 O1 C -0.834000 15.9994 + 7601 SYS 2534 TIP3 H1 A 0.417000 1.0079 + 7602 SYS 2534 TIP3 H2 A 0.417000 1.0079 + 7603 SYS 2535 TIP3 O1 C -0.834000 15.9994 + 7604 SYS 2535 TIP3 H1 A 0.417000 1.0079 + 7605 SYS 2535 TIP3 H2 A 0.417000 1.0079 + 7606 SYS 2536 TIP3 O1 C -0.834000 15.9994 + 7607 SYS 2536 TIP3 H1 A 0.417000 1.0079 + 7608 SYS 2536 TIP3 H2 A 0.417000 1.0079 + 7609 SYS 2537 TIP3 O1 C -0.834000 15.9994 + 7610 SYS 2537 TIP3 H1 A 0.417000 1.0079 + 7611 SYS 2537 TIP3 H2 A 0.417000 1.0079 + 7612 SYS 2538 TIP3 O1 C -0.834000 15.9994 + 7613 SYS 2538 TIP3 H1 A 0.417000 1.0079 + 7614 SYS 2538 TIP3 H2 A 0.417000 1.0079 + 7615 SYS 2539 TIP3 O1 C -0.834000 15.9994 + 7616 SYS 2539 TIP3 H1 A 0.417000 1.0079 + 7617 SYS 2539 TIP3 H2 A 0.417000 1.0079 + 7618 SYS 2540 TIP3 O1 C -0.834000 15.9994 + 7619 SYS 2540 TIP3 H1 A 0.417000 1.0079 + 7620 SYS 2540 TIP3 H2 A 0.417000 1.0079 + 7621 SYS 2541 TIP3 O1 C -0.834000 15.9994 + 7622 SYS 2541 TIP3 H1 A 0.417000 1.0079 + 7623 SYS 2541 TIP3 H2 A 0.417000 1.0079 + 7624 SYS 2542 TIP3 O1 C -0.834000 15.9994 + 7625 SYS 2542 TIP3 H1 A 0.417000 1.0079 + 7626 SYS 2542 TIP3 H2 A 0.417000 1.0079 + 7627 SYS 2543 TIP3 O1 C -0.834000 15.9994 + 7628 SYS 2543 TIP3 H1 A 0.417000 1.0079 + 7629 SYS 2543 TIP3 H2 A 0.417000 1.0079 + 7630 SYS 2544 TIP3 O1 C -0.834000 15.9994 + 7631 SYS 2544 TIP3 H1 A 0.417000 1.0079 + 7632 SYS 2544 TIP3 H2 A 0.417000 1.0079 + 7633 SYS 2545 TIP3 O1 C -0.834000 15.9994 + 7634 SYS 2545 TIP3 H1 A 0.417000 1.0079 + 7635 SYS 2545 TIP3 H2 A 0.417000 1.0079 + 7636 SYS 2546 TIP3 O1 C -0.834000 15.9994 + 7637 SYS 2546 TIP3 H1 A 0.417000 1.0079 + 7638 SYS 2546 TIP3 H2 A 0.417000 1.0079 + 7639 SYS 2547 TIP3 O1 C -0.834000 15.9994 + 7640 SYS 2547 TIP3 H1 A 0.417000 1.0079 + 7641 SYS 2547 TIP3 H2 A 0.417000 1.0079 + 7642 SYS 2548 TIP3 O1 C -0.834000 15.9994 + 7643 SYS 2548 TIP3 H1 A 0.417000 1.0079 + 7644 SYS 2548 TIP3 H2 A 0.417000 1.0079 + 7645 SYS 2549 TIP3 O1 C -0.834000 15.9994 + 7646 SYS 2549 TIP3 H1 A 0.417000 1.0079 + 7647 SYS 2549 TIP3 H2 A 0.417000 1.0079 + 7648 SYS 2550 TIP3 O1 C -0.834000 15.9994 + 7649 SYS 2550 TIP3 H1 A 0.417000 1.0079 + 7650 SYS 2550 TIP3 H2 A 0.417000 1.0079 + 7651 SYS 2551 TIP3 O1 C -0.834000 15.9994 + 7652 SYS 2551 TIP3 H1 A 0.417000 1.0079 + 7653 SYS 2551 TIP3 H2 A 0.417000 1.0079 + 7654 SYS 2552 TIP3 O1 C -0.834000 15.9994 + 7655 SYS 2552 TIP3 H1 A 0.417000 1.0079 + 7656 SYS 2552 TIP3 H2 A 0.417000 1.0079 + 7657 SYS 2553 TIP3 O1 C -0.834000 15.9994 + 7658 SYS 2553 TIP3 H1 A 0.417000 1.0079 + 7659 SYS 2553 TIP3 H2 A 0.417000 1.0079 + 7660 SYS 2554 TIP3 O1 C -0.834000 15.9994 + 7661 SYS 2554 TIP3 H1 A 0.417000 1.0079 + 7662 SYS 2554 TIP3 H2 A 0.417000 1.0079 + 7663 SYS 2555 TIP3 O1 C -0.834000 15.9994 + 7664 SYS 2555 TIP3 H1 A 0.417000 1.0079 + 7665 SYS 2555 TIP3 H2 A 0.417000 1.0079 + 7666 SYS 2556 TIP3 O1 C -0.834000 15.9994 + 7667 SYS 2556 TIP3 H1 A 0.417000 1.0079 + 7668 SYS 2556 TIP3 H2 A 0.417000 1.0079 + 7669 SYS 2557 TIP3 O1 C -0.834000 15.9994 + 7670 SYS 2557 TIP3 H1 A 0.417000 1.0079 + 7671 SYS 2557 TIP3 H2 A 0.417000 1.0079 + 7672 SYS 2558 TIP3 O1 C -0.834000 15.9994 + 7673 SYS 2558 TIP3 H1 A 0.417000 1.0079 + 7674 SYS 2558 TIP3 H2 A 0.417000 1.0079 + 7675 SYS 2559 TIP3 O1 C -0.834000 15.9994 + 7676 SYS 2559 TIP3 H1 A 0.417000 1.0079 + 7677 SYS 2559 TIP3 H2 A 0.417000 1.0079 + 7678 SYS 2560 TIP3 O1 C -0.834000 15.9994 + 7679 SYS 2560 TIP3 H1 A 0.417000 1.0079 + 7680 SYS 2560 TIP3 H2 A 0.417000 1.0079 + 7681 SYS 2561 TIP3 O1 C -0.834000 15.9994 + 7682 SYS 2561 TIP3 H1 A 0.417000 1.0079 + 7683 SYS 2561 TIP3 H2 A 0.417000 1.0079 + 7684 SYS 2562 TIP3 O1 C -0.834000 15.9994 + 7685 SYS 2562 TIP3 H1 A 0.417000 1.0079 + 7686 SYS 2562 TIP3 H2 A 0.417000 1.0079 + 7687 SYS 2563 TIP3 O1 C -0.834000 15.9994 + 7688 SYS 2563 TIP3 H1 A 0.417000 1.0079 + 7689 SYS 2563 TIP3 H2 A 0.417000 1.0079 + 7690 SYS 2564 TIP3 O1 C -0.834000 15.9994 + 7691 SYS 2564 TIP3 H1 A 0.417000 1.0079 + 7692 SYS 2564 TIP3 H2 A 0.417000 1.0079 + 7693 SYS 2565 TIP3 O1 C -0.834000 15.9994 + 7694 SYS 2565 TIP3 H1 A 0.417000 1.0079 + 7695 SYS 2565 TIP3 H2 A 0.417000 1.0079 + 7696 SYS 2566 TIP3 O1 C -0.834000 15.9994 + 7697 SYS 2566 TIP3 H1 A 0.417000 1.0079 + 7698 SYS 2566 TIP3 H2 A 0.417000 1.0079 + 7699 SYS 2567 TIP3 O1 C -0.834000 15.9994 + 7700 SYS 2567 TIP3 H1 A 0.417000 1.0079 + 7701 SYS 2567 TIP3 H2 A 0.417000 1.0079 + 7702 SYS 2568 TIP3 O1 C -0.834000 15.9994 + 7703 SYS 2568 TIP3 H1 A 0.417000 1.0079 + 7704 SYS 2568 TIP3 H2 A 0.417000 1.0079 + 7705 SYS 2569 TIP3 O1 C -0.834000 15.9994 + 7706 SYS 2569 TIP3 H1 A 0.417000 1.0079 + 7707 SYS 2569 TIP3 H2 A 0.417000 1.0079 + 7708 SYS 2570 TIP3 O1 C -0.834000 15.9994 + 7709 SYS 2570 TIP3 H1 A 0.417000 1.0079 + 7710 SYS 2570 TIP3 H2 A 0.417000 1.0079 + 7711 SYS 2571 TIP3 O1 C -0.834000 15.9994 + 7712 SYS 2571 TIP3 H1 A 0.417000 1.0079 + 7713 SYS 2571 TIP3 H2 A 0.417000 1.0079 + 7714 SYS 2572 TIP3 O1 C -0.834000 15.9994 + 7715 SYS 2572 TIP3 H1 A 0.417000 1.0079 + 7716 SYS 2572 TIP3 H2 A 0.417000 1.0079 + 7717 SYS 2573 TIP3 O1 C -0.834000 15.9994 + 7718 SYS 2573 TIP3 H1 A 0.417000 1.0079 + 7719 SYS 2573 TIP3 H2 A 0.417000 1.0079 + 7720 SYS 2574 TIP3 O1 C -0.834000 15.9994 + 7721 SYS 2574 TIP3 H1 A 0.417000 1.0079 + 7722 SYS 2574 TIP3 H2 A 0.417000 1.0079 + 7723 SYS 2575 TIP3 O1 C -0.834000 15.9994 + 7724 SYS 2575 TIP3 H1 A 0.417000 1.0079 + 7725 SYS 2575 TIP3 H2 A 0.417000 1.0079 + 7726 SYS 2576 TIP3 O1 C -0.834000 15.9994 + 7727 SYS 2576 TIP3 H1 A 0.417000 1.0079 + 7728 SYS 2576 TIP3 H2 A 0.417000 1.0079 + 7729 SYS 2577 TIP3 O1 C -0.834000 15.9994 + 7730 SYS 2577 TIP3 H1 A 0.417000 1.0079 + 7731 SYS 2577 TIP3 H2 A 0.417000 1.0079 + 7732 SYS 2578 TIP3 O1 C -0.834000 15.9994 + 7733 SYS 2578 TIP3 H1 A 0.417000 1.0079 + 7734 SYS 2578 TIP3 H2 A 0.417000 1.0079 + 7735 SYS 2579 TIP3 O1 C -0.834000 15.9994 + 7736 SYS 2579 TIP3 H1 A 0.417000 1.0079 + 7737 SYS 2579 TIP3 H2 A 0.417000 1.0079 + 7738 SYS 2580 TIP3 O1 C -0.834000 15.9994 + 7739 SYS 2580 TIP3 H1 A 0.417000 1.0079 + 7740 SYS 2580 TIP3 H2 A 0.417000 1.0079 + 7741 SYS 2581 TIP3 O1 C -0.834000 15.9994 + 7742 SYS 2581 TIP3 H1 A 0.417000 1.0079 + 7743 SYS 2581 TIP3 H2 A 0.417000 1.0079 + 7744 SYS 2582 TIP3 O1 C -0.834000 15.9994 + 7745 SYS 2582 TIP3 H1 A 0.417000 1.0079 + 7746 SYS 2582 TIP3 H2 A 0.417000 1.0079 + 7747 SYS 2583 TIP3 O1 C -0.834000 15.9994 + 7748 SYS 2583 TIP3 H1 A 0.417000 1.0079 + 7749 SYS 2583 TIP3 H2 A 0.417000 1.0079 + 7750 SYS 2584 TIP3 O1 C -0.834000 15.9994 + 7751 SYS 2584 TIP3 H1 A 0.417000 1.0079 + 7752 SYS 2584 TIP3 H2 A 0.417000 1.0079 + 7753 SYS 2585 TIP3 O1 C -0.834000 15.9994 + 7754 SYS 2585 TIP3 H1 A 0.417000 1.0079 + 7755 SYS 2585 TIP3 H2 A 0.417000 1.0079 + 7756 SYS 2586 TIP3 O1 C -0.834000 15.9994 + 7757 SYS 2586 TIP3 H1 A 0.417000 1.0079 + 7758 SYS 2586 TIP3 H2 A 0.417000 1.0079 + 7759 SYS 2587 TIP3 O1 C -0.834000 15.9994 + 7760 SYS 2587 TIP3 H1 A 0.417000 1.0079 + 7761 SYS 2587 TIP3 H2 A 0.417000 1.0079 + 7762 SYS 2588 TIP3 O1 C -0.834000 15.9994 + 7763 SYS 2588 TIP3 H1 A 0.417000 1.0079 + 7764 SYS 2588 TIP3 H2 A 0.417000 1.0079 + 7765 SYS 2589 TIP3 O1 C -0.834000 15.9994 + 7766 SYS 2589 TIP3 H1 A 0.417000 1.0079 + 7767 SYS 2589 TIP3 H2 A 0.417000 1.0079 + 7768 SYS 2590 TIP3 O1 C -0.834000 15.9994 + 7769 SYS 2590 TIP3 H1 A 0.417000 1.0079 + 7770 SYS 2590 TIP3 H2 A 0.417000 1.0079 + 7771 SYS 2591 TIP3 O1 C -0.834000 15.9994 + 7772 SYS 2591 TIP3 H1 A 0.417000 1.0079 + 7773 SYS 2591 TIP3 H2 A 0.417000 1.0079 + 7774 SYS 2592 TIP3 O1 C -0.834000 15.9994 + 7775 SYS 2592 TIP3 H1 A 0.417000 1.0079 + 7776 SYS 2592 TIP3 H2 A 0.417000 1.0079 + 7777 SYS 2593 TIP3 O1 C -0.834000 15.9994 + 7778 SYS 2593 TIP3 H1 A 0.417000 1.0079 + 7779 SYS 2593 TIP3 H2 A 0.417000 1.0079 + 7780 SYS 2594 TIP3 O1 C -0.834000 15.9994 + 7781 SYS 2594 TIP3 H1 A 0.417000 1.0079 + 7782 SYS 2594 TIP3 H2 A 0.417000 1.0079 + 7783 SYS 2595 TIP3 O1 C -0.834000 15.9994 + 7784 SYS 2595 TIP3 H1 A 0.417000 1.0079 + 7785 SYS 2595 TIP3 H2 A 0.417000 1.0079 + 7786 SYS 2596 TIP3 O1 C -0.834000 15.9994 + 7787 SYS 2596 TIP3 H1 A 0.417000 1.0079 + 7788 SYS 2596 TIP3 H2 A 0.417000 1.0079 + 7789 SYS 2597 TIP3 O1 C -0.834000 15.9994 + 7790 SYS 2597 TIP3 H1 A 0.417000 1.0079 + 7791 SYS 2597 TIP3 H2 A 0.417000 1.0079 + 7792 SYS 2598 TIP3 O1 C -0.834000 15.9994 + 7793 SYS 2598 TIP3 H1 A 0.417000 1.0079 + 7794 SYS 2598 TIP3 H2 A 0.417000 1.0079 + 7795 SYS 2599 TIP3 O1 C -0.834000 15.9994 + 7796 SYS 2599 TIP3 H1 A 0.417000 1.0079 + 7797 SYS 2599 TIP3 H2 A 0.417000 1.0079 + 7798 SYS 2600 TIP3 O1 C -0.834000 15.9994 + 7799 SYS 2600 TIP3 H1 A 0.417000 1.0079 + 7800 SYS 2600 TIP3 H2 A 0.417000 1.0079 + 7801 SYS 2601 TIP3 O1 C -0.834000 15.9994 + 7802 SYS 2601 TIP3 H1 A 0.417000 1.0079 + 7803 SYS 2601 TIP3 H2 A 0.417000 1.0079 + 7804 SYS 2602 TIP3 O1 C -0.834000 15.9994 + 7805 SYS 2602 TIP3 H1 A 0.417000 1.0079 + 7806 SYS 2602 TIP3 H2 A 0.417000 1.0079 + 7807 SYS 2603 TIP3 O1 C -0.834000 15.9994 + 7808 SYS 2603 TIP3 H1 A 0.417000 1.0079 + 7809 SYS 2603 TIP3 H2 A 0.417000 1.0079 + 7810 SYS 2604 TIP3 O1 C -0.834000 15.9994 + 7811 SYS 2604 TIP3 H1 A 0.417000 1.0079 + 7812 SYS 2604 TIP3 H2 A 0.417000 1.0079 + 7813 SYS 2605 TIP3 O1 C -0.834000 15.9994 + 7814 SYS 2605 TIP3 H1 A 0.417000 1.0079 + 7815 SYS 2605 TIP3 H2 A 0.417000 1.0079 + 7816 SYS 2606 TIP3 O1 C -0.834000 15.9994 + 7817 SYS 2606 TIP3 H1 A 0.417000 1.0079 + 7818 SYS 2606 TIP3 H2 A 0.417000 1.0079 + 7819 SYS 2607 TIP3 O1 C -0.834000 15.9994 + 7820 SYS 2607 TIP3 H1 A 0.417000 1.0079 + 7821 SYS 2607 TIP3 H2 A 0.417000 1.0079 + 7822 SYS 2608 TIP3 O1 C -0.834000 15.9994 + 7823 SYS 2608 TIP3 H1 A 0.417000 1.0079 + 7824 SYS 2608 TIP3 H2 A 0.417000 1.0079 + 7825 SYS 2609 TIP3 O1 C -0.834000 15.9994 + 7826 SYS 2609 TIP3 H1 A 0.417000 1.0079 + 7827 SYS 2609 TIP3 H2 A 0.417000 1.0079 + 7828 SYS 2610 TIP3 O1 C -0.834000 15.9994 + 7829 SYS 2610 TIP3 H1 A 0.417000 1.0079 + 7830 SYS 2610 TIP3 H2 A 0.417000 1.0079 + 7831 SYS 2611 TIP3 O1 C -0.834000 15.9994 + 7832 SYS 2611 TIP3 H1 A 0.417000 1.0079 + 7833 SYS 2611 TIP3 H2 A 0.417000 1.0079 + 7834 SYS 2612 TIP3 O1 C -0.834000 15.9994 + 7835 SYS 2612 TIP3 H1 A 0.417000 1.0079 + 7836 SYS 2612 TIP3 H2 A 0.417000 1.0079 + 7837 SYS 2613 TIP3 O1 C -0.834000 15.9994 + 7838 SYS 2613 TIP3 H1 A 0.417000 1.0079 + 7839 SYS 2613 TIP3 H2 A 0.417000 1.0079 + 7840 SYS 2614 TIP3 O1 C -0.834000 15.9994 + 7841 SYS 2614 TIP3 H1 A 0.417000 1.0079 + 7842 SYS 2614 TIP3 H2 A 0.417000 1.0079 + 7843 SYS 2615 TIP3 O1 C -0.834000 15.9994 + 7844 SYS 2615 TIP3 H1 A 0.417000 1.0079 + 7845 SYS 2615 TIP3 H2 A 0.417000 1.0079 + 7846 SYS 2616 TIP3 O1 C -0.834000 15.9994 + 7847 SYS 2616 TIP3 H1 A 0.417000 1.0079 + 7848 SYS 2616 TIP3 H2 A 0.417000 1.0079 + 7849 SYS 2617 TIP3 O1 C -0.834000 15.9994 + 7850 SYS 2617 TIP3 H1 A 0.417000 1.0079 + 7851 SYS 2617 TIP3 H2 A 0.417000 1.0079 + 7852 SYS 2618 TIP3 O1 C -0.834000 15.9994 + 7853 SYS 2618 TIP3 H1 A 0.417000 1.0079 + 7854 SYS 2618 TIP3 H2 A 0.417000 1.0079 + 7855 SYS 2619 TIP3 O1 C -0.834000 15.9994 + 7856 SYS 2619 TIP3 H1 A 0.417000 1.0079 + 7857 SYS 2619 TIP3 H2 A 0.417000 1.0079 + 7858 SYS 2620 TIP3 O1 C -0.834000 15.9994 + 7859 SYS 2620 TIP3 H1 A 0.417000 1.0079 + 7860 SYS 2620 TIP3 H2 A 0.417000 1.0079 + 7861 SYS 2621 TIP3 O1 C -0.834000 15.9994 + 7862 SYS 2621 TIP3 H1 A 0.417000 1.0079 + 7863 SYS 2621 TIP3 H2 A 0.417000 1.0079 + 7864 SYS 2622 TIP3 O1 C -0.834000 15.9994 + 7865 SYS 2622 TIP3 H1 A 0.417000 1.0079 + 7866 SYS 2622 TIP3 H2 A 0.417000 1.0079 + 7867 SYS 2623 TIP3 O1 C -0.834000 15.9994 + 7868 SYS 2623 TIP3 H1 A 0.417000 1.0079 + 7869 SYS 2623 TIP3 H2 A 0.417000 1.0079 + 7870 SYS 2624 TIP3 O1 C -0.834000 15.9994 + 7871 SYS 2624 TIP3 H1 A 0.417000 1.0079 + 7872 SYS 2624 TIP3 H2 A 0.417000 1.0079 + 7873 SYS 2625 TIP3 O1 C -0.834000 15.9994 + 7874 SYS 2625 TIP3 H1 A 0.417000 1.0079 + 7875 SYS 2625 TIP3 H2 A 0.417000 1.0079 + 7876 SYS 2626 TIP3 O1 C -0.834000 15.9994 + 7877 SYS 2626 TIP3 H1 A 0.417000 1.0079 + 7878 SYS 2626 TIP3 H2 A 0.417000 1.0079 + 7879 SYS 2627 TIP3 O1 C -0.834000 15.9994 + 7880 SYS 2627 TIP3 H1 A 0.417000 1.0079 + 7881 SYS 2627 TIP3 H2 A 0.417000 1.0079 + 7882 SYS 2628 TIP3 O1 C -0.834000 15.9994 + 7883 SYS 2628 TIP3 H1 A 0.417000 1.0079 + 7884 SYS 2628 TIP3 H2 A 0.417000 1.0079 + 7885 SYS 2629 TIP3 O1 C -0.834000 15.9994 + 7886 SYS 2629 TIP3 H1 A 0.417000 1.0079 + 7887 SYS 2629 TIP3 H2 A 0.417000 1.0079 + 7888 SYS 2630 TIP3 O1 C -0.834000 15.9994 + 7889 SYS 2630 TIP3 H1 A 0.417000 1.0079 + 7890 SYS 2630 TIP3 H2 A 0.417000 1.0079 + 7891 SYS 2631 TIP3 O1 C -0.834000 15.9994 + 7892 SYS 2631 TIP3 H1 A 0.417000 1.0079 + 7893 SYS 2631 TIP3 H2 A 0.417000 1.0079 + 7894 SYS 2632 TIP3 O1 C -0.834000 15.9994 + 7895 SYS 2632 TIP3 H1 A 0.417000 1.0079 + 7896 SYS 2632 TIP3 H2 A 0.417000 1.0079 + 7897 SYS 2633 TIP3 O1 C -0.834000 15.9994 + 7898 SYS 2633 TIP3 H1 A 0.417000 1.0079 + 7899 SYS 2633 TIP3 H2 A 0.417000 1.0079 + 7900 SYS 2634 TIP3 O1 C -0.834000 15.9994 + 7901 SYS 2634 TIP3 H1 A 0.417000 1.0079 + 7902 SYS 2634 TIP3 H2 A 0.417000 1.0079 + 7903 SYS 2635 TIP3 O1 C -0.834000 15.9994 + 7904 SYS 2635 TIP3 H1 A 0.417000 1.0079 + 7905 SYS 2635 TIP3 H2 A 0.417000 1.0079 + 7906 SYS 2636 TIP3 O1 C -0.834000 15.9994 + 7907 SYS 2636 TIP3 H1 A 0.417000 1.0079 + 7908 SYS 2636 TIP3 H2 A 0.417000 1.0079 + 7909 SYS 2637 TIP3 O1 C -0.834000 15.9994 + 7910 SYS 2637 TIP3 H1 A 0.417000 1.0079 + 7911 SYS 2637 TIP3 H2 A 0.417000 1.0079 + 7912 SYS 2638 TIP3 O1 C -0.834000 15.9994 + 7913 SYS 2638 TIP3 H1 A 0.417000 1.0079 + 7914 SYS 2638 TIP3 H2 A 0.417000 1.0079 + 7915 SYS 2639 TIP3 O1 C -0.834000 15.9994 + 7916 SYS 2639 TIP3 H1 A 0.417000 1.0079 + 7917 SYS 2639 TIP3 H2 A 0.417000 1.0079 + 7918 SYS 2640 TIP3 O1 C -0.834000 15.9994 + 7919 SYS 2640 TIP3 H1 A 0.417000 1.0079 + 7920 SYS 2640 TIP3 H2 A 0.417000 1.0079 + 7921 SYS 2641 TIP3 O1 C -0.834000 15.9994 + 7922 SYS 2641 TIP3 H1 A 0.417000 1.0079 + 7923 SYS 2641 TIP3 H2 A 0.417000 1.0079 + 7924 SYS 2642 TIP3 O1 C -0.834000 15.9994 + 7925 SYS 2642 TIP3 H1 A 0.417000 1.0079 + 7926 SYS 2642 TIP3 H2 A 0.417000 1.0079 + 7927 SYS 2643 TIP3 O1 C -0.834000 15.9994 + 7928 SYS 2643 TIP3 H1 A 0.417000 1.0079 + 7929 SYS 2643 TIP3 H2 A 0.417000 1.0079 + 7930 SYS 2644 TIP3 O1 C -0.834000 15.9994 + 7931 SYS 2644 TIP3 H1 A 0.417000 1.0079 + 7932 SYS 2644 TIP3 H2 A 0.417000 1.0079 + 7933 SYS 2645 TIP3 O1 C -0.834000 15.9994 + 7934 SYS 2645 TIP3 H1 A 0.417000 1.0079 + 7935 SYS 2645 TIP3 H2 A 0.417000 1.0079 + 7936 SYS 2646 TIP3 O1 C -0.834000 15.9994 + 7937 SYS 2646 TIP3 H1 A 0.417000 1.0079 + 7938 SYS 2646 TIP3 H2 A 0.417000 1.0079 + 7939 SYS 2647 TIP3 O1 C -0.834000 15.9994 + 7940 SYS 2647 TIP3 H1 A 0.417000 1.0079 + 7941 SYS 2647 TIP3 H2 A 0.417000 1.0079 + 7942 SYS 2648 TIP3 O1 C -0.834000 15.9994 + 7943 SYS 2648 TIP3 H1 A 0.417000 1.0079 + 7944 SYS 2648 TIP3 H2 A 0.417000 1.0079 + 7945 SYS 2649 TIP3 O1 C -0.834000 15.9994 + 7946 SYS 2649 TIP3 H1 A 0.417000 1.0079 + 7947 SYS 2649 TIP3 H2 A 0.417000 1.0079 + 7948 SYS 2650 TIP3 O1 C -0.834000 15.9994 + 7949 SYS 2650 TIP3 H1 A 0.417000 1.0079 + 7950 SYS 2650 TIP3 H2 A 0.417000 1.0079 + 7951 SYS 2651 TIP3 O1 C -0.834000 15.9994 + 7952 SYS 2651 TIP3 H1 A 0.417000 1.0079 + 7953 SYS 2651 TIP3 H2 A 0.417000 1.0079 + 7954 SYS 2652 TIP3 O1 C -0.834000 15.9994 + 7955 SYS 2652 TIP3 H1 A 0.417000 1.0079 + 7956 SYS 2652 TIP3 H2 A 0.417000 1.0079 + 7957 SYS 2653 TIP3 O1 C -0.834000 15.9994 + 7958 SYS 2653 TIP3 H1 A 0.417000 1.0079 + 7959 SYS 2653 TIP3 H2 A 0.417000 1.0079 + 7960 SYS 2654 TIP3 O1 C -0.834000 15.9994 + 7961 SYS 2654 TIP3 H1 A 0.417000 1.0079 + 7962 SYS 2654 TIP3 H2 A 0.417000 1.0079 + 7963 SYS 2655 TIP3 O1 C -0.834000 15.9994 + 7964 SYS 2655 TIP3 H1 A 0.417000 1.0079 + 7965 SYS 2655 TIP3 H2 A 0.417000 1.0079 + 7966 SYS 2656 TIP3 O1 C -0.834000 15.9994 + 7967 SYS 2656 TIP3 H1 A 0.417000 1.0079 + 7968 SYS 2656 TIP3 H2 A 0.417000 1.0079 + 7969 SYS 2657 TIP3 O1 C -0.834000 15.9994 + 7970 SYS 2657 TIP3 H1 A 0.417000 1.0079 + 7971 SYS 2657 TIP3 H2 A 0.417000 1.0079 + 7972 SYS 2658 TIP3 O1 C -0.834000 15.9994 + 7973 SYS 2658 TIP3 H1 A 0.417000 1.0079 + 7974 SYS 2658 TIP3 H2 A 0.417000 1.0079 + 7975 SYS 2659 TIP3 O1 C -0.834000 15.9994 + 7976 SYS 2659 TIP3 H1 A 0.417000 1.0079 + 7977 SYS 2659 TIP3 H2 A 0.417000 1.0079 + 7978 SYS 2660 TIP3 O1 C -0.834000 15.9994 + 7979 SYS 2660 TIP3 H1 A 0.417000 1.0079 + 7980 SYS 2660 TIP3 H2 A 0.417000 1.0079 + 7981 SYS 2661 TIP3 O1 C -0.834000 15.9994 + 7982 SYS 2661 TIP3 H1 A 0.417000 1.0079 + 7983 SYS 2661 TIP3 H2 A 0.417000 1.0079 + 7984 SYS 2662 TIP3 O1 C -0.834000 15.9994 + 7985 SYS 2662 TIP3 H1 A 0.417000 1.0079 + 7986 SYS 2662 TIP3 H2 A 0.417000 1.0079 + 7987 SYS 2663 TIP3 O1 C -0.834000 15.9994 + 7988 SYS 2663 TIP3 H1 A 0.417000 1.0079 + 7989 SYS 2663 TIP3 H2 A 0.417000 1.0079 + 7990 SYS 2664 TIP3 O1 C -0.834000 15.9994 + 7991 SYS 2664 TIP3 H1 A 0.417000 1.0079 + 7992 SYS 2664 TIP3 H2 A 0.417000 1.0079 + 7993 SYS 2665 TIP3 O1 C -0.834000 15.9994 + 7994 SYS 2665 TIP3 H1 A 0.417000 1.0079 + 7995 SYS 2665 TIP3 H2 A 0.417000 1.0079 + 7996 SYS 2666 TIP3 O1 C -0.834000 15.9994 + 7997 SYS 2666 TIP3 H1 A 0.417000 1.0079 + 7998 SYS 2666 TIP3 H2 A 0.417000 1.0079 + 7999 SYS 2667 TIP3 O1 C -0.834000 15.9994 + 8000 SYS 2667 TIP3 H1 A 0.417000 1.0079 + 8001 SYS 2667 TIP3 H2 A 0.417000 1.0079 + 8002 SYS 2668 TIP3 O1 C -0.834000 15.9994 + 8003 SYS 2668 TIP3 H1 A 0.417000 1.0079 + 8004 SYS 2668 TIP3 H2 A 0.417000 1.0079 + 8005 SYS 2669 TIP3 O1 C -0.834000 15.9994 + 8006 SYS 2669 TIP3 H1 A 0.417000 1.0079 + 8007 SYS 2669 TIP3 H2 A 0.417000 1.0079 + 8008 SYS 2670 TIP3 O1 C -0.834000 15.9994 + 8009 SYS 2670 TIP3 H1 A 0.417000 1.0079 + 8010 SYS 2670 TIP3 H2 A 0.417000 1.0079 + 8011 SYS 2671 TIP3 O1 C -0.834000 15.9994 + 8012 SYS 2671 TIP3 H1 A 0.417000 1.0079 + 8013 SYS 2671 TIP3 H2 A 0.417000 1.0079 + 8014 SYS 2672 TIP3 O1 C -0.834000 15.9994 + 8015 SYS 2672 TIP3 H1 A 0.417000 1.0079 + 8016 SYS 2672 TIP3 H2 A 0.417000 1.0079 + 8017 SYS 2673 TIP3 O1 C -0.834000 15.9994 + 8018 SYS 2673 TIP3 H1 A 0.417000 1.0079 + 8019 SYS 2673 TIP3 H2 A 0.417000 1.0079 + 8020 SYS 2674 TIP3 O1 C -0.834000 15.9994 + 8021 SYS 2674 TIP3 H1 A 0.417000 1.0079 + 8022 SYS 2674 TIP3 H2 A 0.417000 1.0079 + 8023 SYS 2675 TIP3 O1 C -0.834000 15.9994 + 8024 SYS 2675 TIP3 H1 A 0.417000 1.0079 + 8025 SYS 2675 TIP3 H2 A 0.417000 1.0079 + 8026 SYS 2676 TIP3 O1 C -0.834000 15.9994 + 8027 SYS 2676 TIP3 H1 A 0.417000 1.0079 + 8028 SYS 2676 TIP3 H2 A 0.417000 1.0079 + 8029 SYS 2677 TIP3 O1 C -0.834000 15.9994 + 8030 SYS 2677 TIP3 H1 A 0.417000 1.0079 + 8031 SYS 2677 TIP3 H2 A 0.417000 1.0079 + 8032 SYS 2678 TIP3 O1 C -0.834000 15.9994 + 8033 SYS 2678 TIP3 H1 A 0.417000 1.0079 + 8034 SYS 2678 TIP3 H2 A 0.417000 1.0079 + 8035 SYS 2679 TIP3 O1 C -0.834000 15.9994 + 8036 SYS 2679 TIP3 H1 A 0.417000 1.0079 + 8037 SYS 2679 TIP3 H2 A 0.417000 1.0079 + 8038 SYS 2680 TIP3 O1 C -0.834000 15.9994 + 8039 SYS 2680 TIP3 H1 A 0.417000 1.0079 + 8040 SYS 2680 TIP3 H2 A 0.417000 1.0079 + 8041 SYS 2681 TIP3 O1 C -0.834000 15.9994 + 8042 SYS 2681 TIP3 H1 A 0.417000 1.0079 + 8043 SYS 2681 TIP3 H2 A 0.417000 1.0079 + 8044 SYS 2682 TIP3 O1 C -0.834000 15.9994 + 8045 SYS 2682 TIP3 H1 A 0.417000 1.0079 + 8046 SYS 2682 TIP3 H2 A 0.417000 1.0079 + 8047 SYS 2683 TIP3 O1 C -0.834000 15.9994 + 8048 SYS 2683 TIP3 H1 A 0.417000 1.0079 + 8049 SYS 2683 TIP3 H2 A 0.417000 1.0079 + 8050 SYS 2684 TIP3 O1 C -0.834000 15.9994 + 8051 SYS 2684 TIP3 H1 A 0.417000 1.0079 + 8052 SYS 2684 TIP3 H2 A 0.417000 1.0079 + 8053 SYS 2685 TIP3 O1 C -0.834000 15.9994 + 8054 SYS 2685 TIP3 H1 A 0.417000 1.0079 + 8055 SYS 2685 TIP3 H2 A 0.417000 1.0079 + 8056 SYS 2686 TIP3 O1 C -0.834000 15.9994 + 8057 SYS 2686 TIP3 H1 A 0.417000 1.0079 + 8058 SYS 2686 TIP3 H2 A 0.417000 1.0079 + 8059 SYS 2687 TIP3 O1 C -0.834000 15.9994 + 8060 SYS 2687 TIP3 H1 A 0.417000 1.0079 + 8061 SYS 2687 TIP3 H2 A 0.417000 1.0079 + 8062 SYS 2688 TIP3 O1 C -0.834000 15.9994 + 8063 SYS 2688 TIP3 H1 A 0.417000 1.0079 + 8064 SYS 2688 TIP3 H2 A 0.417000 1.0079 + 8065 SYS 2689 TIP3 O1 C -0.834000 15.9994 + 8066 SYS 2689 TIP3 H1 A 0.417000 1.0079 + 8067 SYS 2689 TIP3 H2 A 0.417000 1.0079 + 8068 SYS 2690 TIP3 O1 C -0.834000 15.9994 + 8069 SYS 2690 TIP3 H1 A 0.417000 1.0079 + 8070 SYS 2690 TIP3 H2 A 0.417000 1.0079 + 8071 SYS 2691 TIP3 O1 C -0.834000 15.9994 + 8072 SYS 2691 TIP3 H1 A 0.417000 1.0079 + 8073 SYS 2691 TIP3 H2 A 0.417000 1.0079 + 8074 SYS 2692 TIP3 O1 C -0.834000 15.9994 + 8075 SYS 2692 TIP3 H1 A 0.417000 1.0079 + 8076 SYS 2692 TIP3 H2 A 0.417000 1.0079 + 8077 SYS 2693 TIP3 O1 C -0.834000 15.9994 + 8078 SYS 2693 TIP3 H1 A 0.417000 1.0079 + 8079 SYS 2693 TIP3 H2 A 0.417000 1.0079 + 8080 SYS 2694 TIP3 O1 C -0.834000 15.9994 + 8081 SYS 2694 TIP3 H1 A 0.417000 1.0079 + 8082 SYS 2694 TIP3 H2 A 0.417000 1.0079 + 8083 SYS 2695 TIP3 O1 C -0.834000 15.9994 + 8084 SYS 2695 TIP3 H1 A 0.417000 1.0079 + 8085 SYS 2695 TIP3 H2 A 0.417000 1.0079 + 8086 SYS 2696 TIP3 O1 C -0.834000 15.9994 + 8087 SYS 2696 TIP3 H1 A 0.417000 1.0079 + 8088 SYS 2696 TIP3 H2 A 0.417000 1.0079 + 8089 SYS 2697 TIP3 O1 C -0.834000 15.9994 + 8090 SYS 2697 TIP3 H1 A 0.417000 1.0079 + 8091 SYS 2697 TIP3 H2 A 0.417000 1.0079 + 8092 SYS 2698 TIP3 O1 C -0.834000 15.9994 + 8093 SYS 2698 TIP3 H1 A 0.417000 1.0079 + 8094 SYS 2698 TIP3 H2 A 0.417000 1.0079 + 8095 SYS 2699 TIP3 O1 C -0.834000 15.9994 + 8096 SYS 2699 TIP3 H1 A 0.417000 1.0079 + 8097 SYS 2699 TIP3 H2 A 0.417000 1.0079 + 8098 SYS 2700 TIP3 O1 C -0.834000 15.9994 + 8099 SYS 2700 TIP3 H1 A 0.417000 1.0079 + 8100 SYS 2700 TIP3 H2 A 0.417000 1.0079 + 8101 SYS 2701 TIP3 O1 C -0.834000 15.9994 + 8102 SYS 2701 TIP3 H1 A 0.417000 1.0079 + 8103 SYS 2701 TIP3 H2 A 0.417000 1.0079 + 8104 SYS 2702 TIP3 O1 C -0.834000 15.9994 + 8105 SYS 2702 TIP3 H1 A 0.417000 1.0079 + 8106 SYS 2702 TIP3 H2 A 0.417000 1.0079 + 8107 SYS 2703 TIP3 O1 C -0.834000 15.9994 + 8108 SYS 2703 TIP3 H1 A 0.417000 1.0079 + 8109 SYS 2703 TIP3 H2 A 0.417000 1.0079 + 8110 SYS 2704 TIP3 O1 C -0.834000 15.9994 + 8111 SYS 2704 TIP3 H1 A 0.417000 1.0079 + 8112 SYS 2704 TIP3 H2 A 0.417000 1.0079 + 8113 SYS 2705 TIP3 O1 C -0.834000 15.9994 + 8114 SYS 2705 TIP3 H1 A 0.417000 1.0079 + 8115 SYS 2705 TIP3 H2 A 0.417000 1.0079 + 8116 SYS 2706 TIP3 O1 C -0.834000 15.9994 + 8117 SYS 2706 TIP3 H1 A 0.417000 1.0079 + 8118 SYS 2706 TIP3 H2 A 0.417000 1.0079 + 8119 SYS 2707 TIP3 O1 C -0.834000 15.9994 + 8120 SYS 2707 TIP3 H1 A 0.417000 1.0079 + 8121 SYS 2707 TIP3 H2 A 0.417000 1.0079 + 8122 SYS 2708 TIP3 O1 C -0.834000 15.9994 + 8123 SYS 2708 TIP3 H1 A 0.417000 1.0079 + 8124 SYS 2708 TIP3 H2 A 0.417000 1.0079 + 8125 SYS 2709 TIP3 O1 C -0.834000 15.9994 + 8126 SYS 2709 TIP3 H1 A 0.417000 1.0079 + 8127 SYS 2709 TIP3 H2 A 0.417000 1.0079 + 8128 SYS 2710 TIP3 O1 C -0.834000 15.9994 + 8129 SYS 2710 TIP3 H1 A 0.417000 1.0079 + 8130 SYS 2710 TIP3 H2 A 0.417000 1.0079 + 8131 SYS 2711 TIP3 O1 C -0.834000 15.9994 + 8132 SYS 2711 TIP3 H1 A 0.417000 1.0079 + 8133 SYS 2711 TIP3 H2 A 0.417000 1.0079 + 8134 SYS 2712 TIP3 O1 C -0.834000 15.9994 + 8135 SYS 2712 TIP3 H1 A 0.417000 1.0079 + 8136 SYS 2712 TIP3 H2 A 0.417000 1.0079 + 8137 SYS 2713 TIP3 O1 C -0.834000 15.9994 + 8138 SYS 2713 TIP3 H1 A 0.417000 1.0079 + 8139 SYS 2713 TIP3 H2 A 0.417000 1.0079 + 8140 SYS 2714 TIP3 O1 C -0.834000 15.9994 + 8141 SYS 2714 TIP3 H1 A 0.417000 1.0079 + 8142 SYS 2714 TIP3 H2 A 0.417000 1.0079 + 8143 SYS 2715 TIP3 O1 C -0.834000 15.9994 + 8144 SYS 2715 TIP3 H1 A 0.417000 1.0079 + 8145 SYS 2715 TIP3 H2 A 0.417000 1.0079 + 8146 SYS 2716 TIP3 O1 C -0.834000 15.9994 + 8147 SYS 2716 TIP3 H1 A 0.417000 1.0079 + 8148 SYS 2716 TIP3 H2 A 0.417000 1.0079 + 8149 SYS 2717 TIP3 O1 C -0.834000 15.9994 + 8150 SYS 2717 TIP3 H1 A 0.417000 1.0079 + 8151 SYS 2717 TIP3 H2 A 0.417000 1.0079 + 8152 SYS 2718 TIP3 O1 C -0.834000 15.9994 + 8153 SYS 2718 TIP3 H1 A 0.417000 1.0079 + 8154 SYS 2718 TIP3 H2 A 0.417000 1.0079 + 8155 SYS 2719 TIP3 O1 C -0.834000 15.9994 + 8156 SYS 2719 TIP3 H1 A 0.417000 1.0079 + 8157 SYS 2719 TIP3 H2 A 0.417000 1.0079 + 8158 SYS 2720 TIP3 O1 C -0.834000 15.9994 + 8159 SYS 2720 TIP3 H1 A 0.417000 1.0079 + 8160 SYS 2720 TIP3 H2 A 0.417000 1.0079 + 8161 SYS 2721 TIP3 O1 C -0.834000 15.9994 + 8162 SYS 2721 TIP3 H1 A 0.417000 1.0079 + 8163 SYS 2721 TIP3 H2 A 0.417000 1.0079 + 8164 SYS 2722 TIP3 O1 C -0.834000 15.9994 + 8165 SYS 2722 TIP3 H1 A 0.417000 1.0079 + 8166 SYS 2722 TIP3 H2 A 0.417000 1.0079 + 8167 SYS 2723 TIP3 O1 C -0.834000 15.9994 + 8168 SYS 2723 TIP3 H1 A 0.417000 1.0079 + 8169 SYS 2723 TIP3 H2 A 0.417000 1.0079 + 8170 SYS 2724 TIP3 O1 C -0.834000 15.9994 + 8171 SYS 2724 TIP3 H1 A 0.417000 1.0079 + 8172 SYS 2724 TIP3 H2 A 0.417000 1.0079 + 8173 SYS 2725 TIP3 O1 C -0.834000 15.9994 + 8174 SYS 2725 TIP3 H1 A 0.417000 1.0079 + 8175 SYS 2725 TIP3 H2 A 0.417000 1.0079 + 8176 SYS 2726 TIP3 O1 C -0.834000 15.9994 + 8177 SYS 2726 TIP3 H1 A 0.417000 1.0079 + 8178 SYS 2726 TIP3 H2 A 0.417000 1.0079 + 8179 SYS 2727 TIP3 O1 C -0.834000 15.9994 + 8180 SYS 2727 TIP3 H1 A 0.417000 1.0079 + 8181 SYS 2727 TIP3 H2 A 0.417000 1.0079 + 8182 SYS 2728 TIP3 O1 C -0.834000 15.9994 + 8183 SYS 2728 TIP3 H1 A 0.417000 1.0079 + 8184 SYS 2728 TIP3 H2 A 0.417000 1.0079 + 8185 SYS 2729 TIP3 O1 C -0.834000 15.9994 + 8186 SYS 2729 TIP3 H1 A 0.417000 1.0079 + 8187 SYS 2729 TIP3 H2 A 0.417000 1.0079 + 8188 SYS 2730 TIP3 O1 C -0.834000 15.9994 + 8189 SYS 2730 TIP3 H1 A 0.417000 1.0079 + 8190 SYS 2730 TIP3 H2 A 0.417000 1.0079 + 8191 SYS 2731 TIP3 O1 C -0.834000 15.9994 + 8192 SYS 2731 TIP3 H1 A 0.417000 1.0079 + 8193 SYS 2731 TIP3 H2 A 0.417000 1.0079 + 8194 SYS 2732 TIP3 O1 C -0.834000 15.9994 + 8195 SYS 2732 TIP3 H1 A 0.417000 1.0079 + 8196 SYS 2732 TIP3 H2 A 0.417000 1.0079 + 8197 SYS 2733 TIP3 O1 C -0.834000 15.9994 + 8198 SYS 2733 TIP3 H1 A 0.417000 1.0079 + 8199 SYS 2733 TIP3 H2 A 0.417000 1.0079 + 8200 SYS 2734 TIP3 O1 C -0.834000 15.9994 + 8201 SYS 2734 TIP3 H1 A 0.417000 1.0079 + 8202 SYS 2734 TIP3 H2 A 0.417000 1.0079 + 8203 SYS 2735 TIP3 O1 C -0.834000 15.9994 + 8204 SYS 2735 TIP3 H1 A 0.417000 1.0079 + 8205 SYS 2735 TIP3 H2 A 0.417000 1.0079 + 8206 SYS 2736 TIP3 O1 C -0.834000 15.9994 + 8207 SYS 2736 TIP3 H1 A 0.417000 1.0079 + 8208 SYS 2736 TIP3 H2 A 0.417000 1.0079 + 8209 SYS 2737 TIP3 O1 C -0.834000 15.9994 + 8210 SYS 2737 TIP3 H1 A 0.417000 1.0079 + 8211 SYS 2737 TIP3 H2 A 0.417000 1.0079 + 8212 SYS 2738 TIP3 O1 C -0.834000 15.9994 + 8213 SYS 2738 TIP3 H1 A 0.417000 1.0079 + 8214 SYS 2738 TIP3 H2 A 0.417000 1.0079 + 8215 SYS 2739 TIP3 O1 C -0.834000 15.9994 + 8216 SYS 2739 TIP3 H1 A 0.417000 1.0079 + 8217 SYS 2739 TIP3 H2 A 0.417000 1.0079 + 8218 SYS 2740 TIP3 O1 C -0.834000 15.9994 + 8219 SYS 2740 TIP3 H1 A 0.417000 1.0079 + 8220 SYS 2740 TIP3 H2 A 0.417000 1.0079 + 8221 SYS 2741 TIP3 O1 C -0.834000 15.9994 + 8222 SYS 2741 TIP3 H1 A 0.417000 1.0079 + 8223 SYS 2741 TIP3 H2 A 0.417000 1.0079 + 8224 SYS 2742 TIP3 O1 C -0.834000 15.9994 + 8225 SYS 2742 TIP3 H1 A 0.417000 1.0079 + 8226 SYS 2742 TIP3 H2 A 0.417000 1.0079 + 8227 SYS 2743 TIP3 O1 C -0.834000 15.9994 + 8228 SYS 2743 TIP3 H1 A 0.417000 1.0079 + 8229 SYS 2743 TIP3 H2 A 0.417000 1.0079 + 8230 SYS 2744 TIP3 O1 C -0.834000 15.9994 + 8231 SYS 2744 TIP3 H1 A 0.417000 1.0079 + 8232 SYS 2744 TIP3 H2 A 0.417000 1.0079 + 8233 SYS 2745 TIP3 O1 C -0.834000 15.9994 + 8234 SYS 2745 TIP3 H1 A 0.417000 1.0079 + 8235 SYS 2745 TIP3 H2 A 0.417000 1.0079 + 8236 SYS 2746 TIP3 O1 C -0.834000 15.9994 + 8237 SYS 2746 TIP3 H1 A 0.417000 1.0079 + 8238 SYS 2746 TIP3 H2 A 0.417000 1.0079 + 8239 SYS 2747 TIP3 O1 C -0.834000 15.9994 + 8240 SYS 2747 TIP3 H1 A 0.417000 1.0079 + 8241 SYS 2747 TIP3 H2 A 0.417000 1.0079 + 8242 SYS 2748 TIP3 O1 C -0.834000 15.9994 + 8243 SYS 2748 TIP3 H1 A 0.417000 1.0079 + 8244 SYS 2748 TIP3 H2 A 0.417000 1.0079 + 8245 SYS 2749 TIP3 O1 C -0.834000 15.9994 + 8246 SYS 2749 TIP3 H1 A 0.417000 1.0079 + 8247 SYS 2749 TIP3 H2 A 0.417000 1.0079 + 8248 SYS 2750 TIP3 O1 C -0.834000 15.9994 + 8249 SYS 2750 TIP3 H1 A 0.417000 1.0079 + 8250 SYS 2750 TIP3 H2 A 0.417000 1.0079 + 8251 SYS 2751 TIP3 O1 C -0.834000 15.9994 + 8252 SYS 2751 TIP3 H1 A 0.417000 1.0079 + 8253 SYS 2751 TIP3 H2 A 0.417000 1.0079 + 8254 SYS 2752 TIP3 O1 C -0.834000 15.9994 + 8255 SYS 2752 TIP3 H1 A 0.417000 1.0079 + 8256 SYS 2752 TIP3 H2 A 0.417000 1.0079 + 8257 SYS 2753 TIP3 O1 C -0.834000 15.9994 + 8258 SYS 2753 TIP3 H1 A 0.417000 1.0079 + 8259 SYS 2753 TIP3 H2 A 0.417000 1.0079 + 8260 SYS 2754 TIP3 O1 C -0.834000 15.9994 + 8261 SYS 2754 TIP3 H1 A 0.417000 1.0079 + 8262 SYS 2754 TIP3 H2 A 0.417000 1.0079 + 8263 SYS 2755 TIP3 O1 C -0.834000 15.9994 + 8264 SYS 2755 TIP3 H1 A 0.417000 1.0079 + 8265 SYS 2755 TIP3 H2 A 0.417000 1.0079 + 8266 SYS 2756 TIP3 O1 C -0.834000 15.9994 + 8267 SYS 2756 TIP3 H1 A 0.417000 1.0079 + 8268 SYS 2756 TIP3 H2 A 0.417000 1.0079 + 8269 SYS 2757 TIP3 O1 C -0.834000 15.9994 + 8270 SYS 2757 TIP3 H1 A 0.417000 1.0079 + 8271 SYS 2757 TIP3 H2 A 0.417000 1.0079 + 8272 SYS 2758 TIP3 O1 C -0.834000 15.9994 + 8273 SYS 2758 TIP3 H1 A 0.417000 1.0079 + 8274 SYS 2758 TIP3 H2 A 0.417000 1.0079 + 8275 SYS 2759 TIP3 O1 C -0.834000 15.9994 + 8276 SYS 2759 TIP3 H1 A 0.417000 1.0079 + 8277 SYS 2759 TIP3 H2 A 0.417000 1.0079 + 8278 SYS 2760 TIP3 O1 C -0.834000 15.9994 + 8279 SYS 2760 TIP3 H1 A 0.417000 1.0079 + 8280 SYS 2760 TIP3 H2 A 0.417000 1.0079 + 8281 SYS 2761 TIP3 O1 C -0.834000 15.9994 + 8282 SYS 2761 TIP3 H1 A 0.417000 1.0079 + 8283 SYS 2761 TIP3 H2 A 0.417000 1.0079 + 8284 SYS 2762 TIP3 O1 C -0.834000 15.9994 + 8285 SYS 2762 TIP3 H1 A 0.417000 1.0079 + 8286 SYS 2762 TIP3 H2 A 0.417000 1.0079 + 8287 SYS 2763 TIP3 O1 C -0.834000 15.9994 + 8288 SYS 2763 TIP3 H1 A 0.417000 1.0079 + 8289 SYS 2763 TIP3 H2 A 0.417000 1.0079 + 8290 SYS 2764 TIP3 O1 C -0.834000 15.9994 + 8291 SYS 2764 TIP3 H1 A 0.417000 1.0079 + 8292 SYS 2764 TIP3 H2 A 0.417000 1.0079 + 8293 SYS 2765 TIP3 O1 C -0.834000 15.9994 + 8294 SYS 2765 TIP3 H1 A 0.417000 1.0079 + 8295 SYS 2765 TIP3 H2 A 0.417000 1.0079 + 8296 SYS 2766 TIP3 O1 C -0.834000 15.9994 + 8297 SYS 2766 TIP3 H1 A 0.417000 1.0079 + 8298 SYS 2766 TIP3 H2 A 0.417000 1.0079 + 8299 SYS 2767 TIP3 O1 C -0.834000 15.9994 + 8300 SYS 2767 TIP3 H1 A 0.417000 1.0079 + 8301 SYS 2767 TIP3 H2 A 0.417000 1.0079 + 8302 SYS 2768 TIP3 O1 C -0.834000 15.9994 + 8303 SYS 2768 TIP3 H1 A 0.417000 1.0079 + 8304 SYS 2768 TIP3 H2 A 0.417000 1.0079 + 8305 SYS 2769 TIP3 O1 C -0.834000 15.9994 + 8306 SYS 2769 TIP3 H1 A 0.417000 1.0079 + 8307 SYS 2769 TIP3 H2 A 0.417000 1.0079 + 8308 SYS 2770 TIP3 O1 C -0.834000 15.9994 + 8309 SYS 2770 TIP3 H1 A 0.417000 1.0079 + 8310 SYS 2770 TIP3 H2 A 0.417000 1.0079 + 8311 SYS 2771 TIP3 O1 C -0.834000 15.9994 + 8312 SYS 2771 TIP3 H1 A 0.417000 1.0079 + 8313 SYS 2771 TIP3 H2 A 0.417000 1.0079 + 8314 SYS 2772 TIP3 O1 C -0.834000 15.9994 + 8315 SYS 2772 TIP3 H1 A 0.417000 1.0079 + 8316 SYS 2772 TIP3 H2 A 0.417000 1.0079 + 8317 SYS 2773 TIP3 O1 C -0.834000 15.9994 + 8318 SYS 2773 TIP3 H1 A 0.417000 1.0079 + 8319 SYS 2773 TIP3 H2 A 0.417000 1.0079 + 8320 SYS 2774 TIP3 O1 C -0.834000 15.9994 + 8321 SYS 2774 TIP3 H1 A 0.417000 1.0079 + 8322 SYS 2774 TIP3 H2 A 0.417000 1.0079 + 8323 SYS 2775 TIP3 O1 C -0.834000 15.9994 + 8324 SYS 2775 TIP3 H1 A 0.417000 1.0079 + 8325 SYS 2775 TIP3 H2 A 0.417000 1.0079 + 8326 SYS 2776 TIP3 O1 C -0.834000 15.9994 + 8327 SYS 2776 TIP3 H1 A 0.417000 1.0079 + 8328 SYS 2776 TIP3 H2 A 0.417000 1.0079 + 8329 SYS 2777 TIP3 O1 C -0.834000 15.9994 + 8330 SYS 2777 TIP3 H1 A 0.417000 1.0079 + 8331 SYS 2777 TIP3 H2 A 0.417000 1.0079 + 8332 SYS 2778 TIP3 O1 C -0.834000 15.9994 + 8333 SYS 2778 TIP3 H1 A 0.417000 1.0079 + 8334 SYS 2778 TIP3 H2 A 0.417000 1.0079 + 8335 SYS 2779 TIP3 O1 C -0.834000 15.9994 + 8336 SYS 2779 TIP3 H1 A 0.417000 1.0079 + 8337 SYS 2779 TIP3 H2 A 0.417000 1.0079 + 8338 SYS 2780 TIP3 O1 C -0.834000 15.9994 + 8339 SYS 2780 TIP3 H1 A 0.417000 1.0079 + 8340 SYS 2780 TIP3 H2 A 0.417000 1.0079 + 8341 SYS 2781 TIP3 O1 C -0.834000 15.9994 + 8342 SYS 2781 TIP3 H1 A 0.417000 1.0079 + 8343 SYS 2781 TIP3 H2 A 0.417000 1.0079 + 8344 SYS 2782 TIP3 O1 C -0.834000 15.9994 + 8345 SYS 2782 TIP3 H1 A 0.417000 1.0079 + 8346 SYS 2782 TIP3 H2 A 0.417000 1.0079 + 8347 SYS 2783 TIP3 O1 C -0.834000 15.9994 + 8348 SYS 2783 TIP3 H1 A 0.417000 1.0079 + 8349 SYS 2783 TIP3 H2 A 0.417000 1.0079 + 8350 SYS 2784 TIP3 O1 C -0.834000 15.9994 + 8351 SYS 2784 TIP3 H1 A 0.417000 1.0079 + 8352 SYS 2784 TIP3 H2 A 0.417000 1.0079 + 8353 SYS 2785 TIP3 O1 C -0.834000 15.9994 + 8354 SYS 2785 TIP3 H1 A 0.417000 1.0079 + 8355 SYS 2785 TIP3 H2 A 0.417000 1.0079 + 8356 SYS 2786 TIP3 O1 C -0.834000 15.9994 + 8357 SYS 2786 TIP3 H1 A 0.417000 1.0079 + 8358 SYS 2786 TIP3 H2 A 0.417000 1.0079 + 8359 SYS 2787 TIP3 O1 C -0.834000 15.9994 + 8360 SYS 2787 TIP3 H1 A 0.417000 1.0079 + 8361 SYS 2787 TIP3 H2 A 0.417000 1.0079 + 8362 SYS 2788 TIP3 O1 C -0.834000 15.9994 + 8363 SYS 2788 TIP3 H1 A 0.417000 1.0079 + 8364 SYS 2788 TIP3 H2 A 0.417000 1.0079 + 8365 SYS 2789 TIP3 O1 C -0.834000 15.9994 + 8366 SYS 2789 TIP3 H1 A 0.417000 1.0079 + 8367 SYS 2789 TIP3 H2 A 0.417000 1.0079 + 8368 SYS 2790 TIP3 O1 C -0.834000 15.9994 + 8369 SYS 2790 TIP3 H1 A 0.417000 1.0079 + 8370 SYS 2790 TIP3 H2 A 0.417000 1.0079 + 8371 SYS 2791 TIP3 O1 C -0.834000 15.9994 + 8372 SYS 2791 TIP3 H1 A 0.417000 1.0079 + 8373 SYS 2791 TIP3 H2 A 0.417000 1.0079 + 8374 SYS 2792 TIP3 O1 C -0.834000 15.9994 + 8375 SYS 2792 TIP3 H1 A 0.417000 1.0079 + 8376 SYS 2792 TIP3 H2 A 0.417000 1.0079 + 8377 SYS 2793 TIP3 O1 C -0.834000 15.9994 + 8378 SYS 2793 TIP3 H1 A 0.417000 1.0079 + 8379 SYS 2793 TIP3 H2 A 0.417000 1.0079 + 8380 SYS 2794 TIP3 O1 C -0.834000 15.9994 + 8381 SYS 2794 TIP3 H1 A 0.417000 1.0079 + 8382 SYS 2794 TIP3 H2 A 0.417000 1.0079 + 8383 SYS 2795 TIP3 O1 C -0.834000 15.9994 + 8384 SYS 2795 TIP3 H1 A 0.417000 1.0079 + 8385 SYS 2795 TIP3 H2 A 0.417000 1.0079 + 8386 SYS 2796 TIP3 O1 C -0.834000 15.9994 + 8387 SYS 2796 TIP3 H1 A 0.417000 1.0079 + 8388 SYS 2796 TIP3 H2 A 0.417000 1.0079 + 8389 SYS 2797 TIP3 O1 C -0.834000 15.9994 + 8390 SYS 2797 TIP3 H1 A 0.417000 1.0079 + 8391 SYS 2797 TIP3 H2 A 0.417000 1.0079 + 8392 SYS 2798 TIP3 O1 C -0.834000 15.9994 + 8393 SYS 2798 TIP3 H1 A 0.417000 1.0079 + 8394 SYS 2798 TIP3 H2 A 0.417000 1.0079 + 8395 SYS 2799 TIP3 O1 C -0.834000 15.9994 + 8396 SYS 2799 TIP3 H1 A 0.417000 1.0079 + 8397 SYS 2799 TIP3 H2 A 0.417000 1.0079 + 8398 SYS 2800 TIP3 O1 C -0.834000 15.9994 + 8399 SYS 2800 TIP3 H1 A 0.417000 1.0079 + 8400 SYS 2800 TIP3 H2 A 0.417000 1.0079 + 8401 SYS 2801 TIP3 O1 C -0.834000 15.9994 + 8402 SYS 2801 TIP3 H1 A 0.417000 1.0079 + 8403 SYS 2801 TIP3 H2 A 0.417000 1.0079 + 8404 SYS 2802 TIP3 O1 C -0.834000 15.9994 + 8405 SYS 2802 TIP3 H1 A 0.417000 1.0079 + 8406 SYS 2802 TIP3 H2 A 0.417000 1.0079 + 8407 SYS 2803 TIP3 O1 C -0.834000 15.9994 + 8408 SYS 2803 TIP3 H1 A 0.417000 1.0079 + 8409 SYS 2803 TIP3 H2 A 0.417000 1.0079 + 8410 SYS 2804 TIP3 O1 C -0.834000 15.9994 + 8411 SYS 2804 TIP3 H1 A 0.417000 1.0079 + 8412 SYS 2804 TIP3 H2 A 0.417000 1.0079 + 8413 SYS 2805 TIP3 O1 C -0.834000 15.9994 + 8414 SYS 2805 TIP3 H1 A 0.417000 1.0079 + 8415 SYS 2805 TIP3 H2 A 0.417000 1.0079 + 8416 SYS 2806 TIP3 O1 C -0.834000 15.9994 + 8417 SYS 2806 TIP3 H1 A 0.417000 1.0079 + 8418 SYS 2806 TIP3 H2 A 0.417000 1.0079 + 8419 SYS 2807 TIP3 O1 C -0.834000 15.9994 + 8420 SYS 2807 TIP3 H1 A 0.417000 1.0079 + 8421 SYS 2807 TIP3 H2 A 0.417000 1.0079 + 8422 SYS 2808 TIP3 O1 C -0.834000 15.9994 + 8423 SYS 2808 TIP3 H1 A 0.417000 1.0079 + 8424 SYS 2808 TIP3 H2 A 0.417000 1.0079 + 8425 SYS 2809 TIP3 O1 C -0.834000 15.9994 + 8426 SYS 2809 TIP3 H1 A 0.417000 1.0079 + 8427 SYS 2809 TIP3 H2 A 0.417000 1.0079 + 8428 SYS 2810 TIP3 O1 C -0.834000 15.9994 + 8429 SYS 2810 TIP3 H1 A 0.417000 1.0079 + 8430 SYS 2810 TIP3 H2 A 0.417000 1.0079 + 8431 SYS 2811 TIP3 O1 C -0.834000 15.9994 + 8432 SYS 2811 TIP3 H1 A 0.417000 1.0079 + 8433 SYS 2811 TIP3 H2 A 0.417000 1.0079 + 8434 SYS 2812 TIP3 O1 C -0.834000 15.9994 + 8435 SYS 2812 TIP3 H1 A 0.417000 1.0079 + 8436 SYS 2812 TIP3 H2 A 0.417000 1.0079 + 8437 SYS 2813 TIP3 O1 C -0.834000 15.9994 + 8438 SYS 2813 TIP3 H1 A 0.417000 1.0079 + 8439 SYS 2813 TIP3 H2 A 0.417000 1.0079 + 8440 SYS 2814 TIP3 O1 C -0.834000 15.9994 + 8441 SYS 2814 TIP3 H1 A 0.417000 1.0079 + 8442 SYS 2814 TIP3 H2 A 0.417000 1.0079 + 8443 SYS 2815 TIP3 O1 C -0.834000 15.9994 + 8444 SYS 2815 TIP3 H1 A 0.417000 1.0079 + 8445 SYS 2815 TIP3 H2 A 0.417000 1.0079 + 8446 SYS 2816 TIP3 O1 C -0.834000 15.9994 + 8447 SYS 2816 TIP3 H1 A 0.417000 1.0079 + 8448 SYS 2816 TIP3 H2 A 0.417000 1.0079 + 8449 SYS 2817 TIP3 O1 C -0.834000 15.9994 + 8450 SYS 2817 TIP3 H1 A 0.417000 1.0079 + 8451 SYS 2817 TIP3 H2 A 0.417000 1.0079 + 8452 SYS 2818 TIP3 O1 C -0.834000 15.9994 + 8453 SYS 2818 TIP3 H1 A 0.417000 1.0079 + 8454 SYS 2818 TIP3 H2 A 0.417000 1.0079 + 8455 SYS 2819 TIP3 O1 C -0.834000 15.9994 + 8456 SYS 2819 TIP3 H1 A 0.417000 1.0079 + 8457 SYS 2819 TIP3 H2 A 0.417000 1.0079 + 8458 SYS 2820 TIP3 O1 C -0.834000 15.9994 + 8459 SYS 2820 TIP3 H1 A 0.417000 1.0079 + 8460 SYS 2820 TIP3 H2 A 0.417000 1.0079 + 8461 SYS 2821 TIP3 O1 C -0.834000 15.9994 + 8462 SYS 2821 TIP3 H1 A 0.417000 1.0079 + 8463 SYS 2821 TIP3 H2 A 0.417000 1.0079 + 8464 SYS 2822 TIP3 O1 C -0.834000 15.9994 + 8465 SYS 2822 TIP3 H1 A 0.417000 1.0079 + 8466 SYS 2822 TIP3 H2 A 0.417000 1.0079 + 8467 SYS 2823 TIP3 O1 C -0.834000 15.9994 + 8468 SYS 2823 TIP3 H1 A 0.417000 1.0079 + 8469 SYS 2823 TIP3 H2 A 0.417000 1.0079 + 8470 SYS 2824 TIP3 O1 C -0.834000 15.9994 + 8471 SYS 2824 TIP3 H1 A 0.417000 1.0079 + 8472 SYS 2824 TIP3 H2 A 0.417000 1.0079 + 8473 SYS 2825 TIP3 O1 C -0.834000 15.9994 + 8474 SYS 2825 TIP3 H1 A 0.417000 1.0079 + 8475 SYS 2825 TIP3 H2 A 0.417000 1.0079 + 8476 SYS 2826 TIP3 O1 C -0.834000 15.9994 + 8477 SYS 2826 TIP3 H1 A 0.417000 1.0079 + 8478 SYS 2826 TIP3 H2 A 0.417000 1.0079 + 8479 SYS 2827 TIP3 O1 C -0.834000 15.9994 + 8480 SYS 2827 TIP3 H1 A 0.417000 1.0079 + 8481 SYS 2827 TIP3 H2 A 0.417000 1.0079 + 8482 SYS 2828 TIP3 O1 C -0.834000 15.9994 + 8483 SYS 2828 TIP3 H1 A 0.417000 1.0079 + 8484 SYS 2828 TIP3 H2 A 0.417000 1.0079 + 8485 SYS 2829 TIP3 O1 C -0.834000 15.9994 + 8486 SYS 2829 TIP3 H1 A 0.417000 1.0079 + 8487 SYS 2829 TIP3 H2 A 0.417000 1.0079 + 8488 SYS 2830 TIP3 O1 C -0.834000 15.9994 + 8489 SYS 2830 TIP3 H1 A 0.417000 1.0079 + 8490 SYS 2830 TIP3 H2 A 0.417000 1.0079 + 8491 SYS 2831 TIP3 O1 C -0.834000 15.9994 + 8492 SYS 2831 TIP3 H1 A 0.417000 1.0079 + 8493 SYS 2831 TIP3 H2 A 0.417000 1.0079 + 8494 SYS 2832 TIP3 O1 C -0.834000 15.9994 + 8495 SYS 2832 TIP3 H1 A 0.417000 1.0079 + 8496 SYS 2832 TIP3 H2 A 0.417000 1.0079 + 8497 SYS 2833 TIP3 O1 C -0.834000 15.9994 + 8498 SYS 2833 TIP3 H1 A 0.417000 1.0079 + 8499 SYS 2833 TIP3 H2 A 0.417000 1.0079 + 8500 SYS 2834 TIP3 O1 C -0.834000 15.9994 + 8501 SYS 2834 TIP3 H1 A 0.417000 1.0079 + 8502 SYS 2834 TIP3 H2 A 0.417000 1.0079 + 8503 SYS 2835 TIP3 O1 C -0.834000 15.9994 + 8504 SYS 2835 TIP3 H1 A 0.417000 1.0079 + 8505 SYS 2835 TIP3 H2 A 0.417000 1.0079 + 8506 SYS 2836 TIP3 O1 C -0.834000 15.9994 + 8507 SYS 2836 TIP3 H1 A 0.417000 1.0079 + 8508 SYS 2836 TIP3 H2 A 0.417000 1.0079 + 8509 SYS 2837 TIP3 O1 C -0.834000 15.9994 + 8510 SYS 2837 TIP3 H1 A 0.417000 1.0079 + 8511 SYS 2837 TIP3 H2 A 0.417000 1.0079 + 8512 SYS 2838 TIP3 O1 C -0.834000 15.9994 + 8513 SYS 2838 TIP3 H1 A 0.417000 1.0079 + 8514 SYS 2838 TIP3 H2 A 0.417000 1.0079 + 8515 SYS 2839 TIP3 O1 C -0.834000 15.9994 + 8516 SYS 2839 TIP3 H1 A 0.417000 1.0079 + 8517 SYS 2839 TIP3 H2 A 0.417000 1.0079 + 8518 SYS 2840 TIP3 O1 C -0.834000 15.9994 + 8519 SYS 2840 TIP3 H1 A 0.417000 1.0079 + 8520 SYS 2840 TIP3 H2 A 0.417000 1.0079 + 8521 SYS 2841 TIP3 O1 C -0.834000 15.9994 + 8522 SYS 2841 TIP3 H1 A 0.417000 1.0079 + 8523 SYS 2841 TIP3 H2 A 0.417000 1.0079 + 8524 SYS 2842 TIP3 O1 C -0.834000 15.9994 + 8525 SYS 2842 TIP3 H1 A 0.417000 1.0079 + 8526 SYS 2842 TIP3 H2 A 0.417000 1.0079 + 8527 SYS 2843 TIP3 O1 C -0.834000 15.9994 + 8528 SYS 2843 TIP3 H1 A 0.417000 1.0079 + 8529 SYS 2843 TIP3 H2 A 0.417000 1.0079 + 8530 SYS 2844 TIP3 O1 C -0.834000 15.9994 + 8531 SYS 2844 TIP3 H1 A 0.417000 1.0079 + 8532 SYS 2844 TIP3 H2 A 0.417000 1.0079 + 8533 SYS 2845 TIP3 O1 C -0.834000 15.9994 + 8534 SYS 2845 TIP3 H1 A 0.417000 1.0079 + 8535 SYS 2845 TIP3 H2 A 0.417000 1.0079 + 8536 SYS 2846 TIP3 O1 C -0.834000 15.9994 + 8537 SYS 2846 TIP3 H1 A 0.417000 1.0079 + 8538 SYS 2846 TIP3 H2 A 0.417000 1.0079 + 8539 SYS 2847 TIP3 O1 C -0.834000 15.9994 + 8540 SYS 2847 TIP3 H1 A 0.417000 1.0079 + 8541 SYS 2847 TIP3 H2 A 0.417000 1.0079 + 8542 SYS 2848 TIP3 O1 C -0.834000 15.9994 + 8543 SYS 2848 TIP3 H1 A 0.417000 1.0079 + 8544 SYS 2848 TIP3 H2 A 0.417000 1.0079 + 8545 SYS 2849 TIP3 O1 C -0.834000 15.9994 + 8546 SYS 2849 TIP3 H1 A 0.417000 1.0079 + 8547 SYS 2849 TIP3 H2 A 0.417000 1.0079 + 8548 SYS 2850 TIP3 O1 C -0.834000 15.9994 + 8549 SYS 2850 TIP3 H1 A 0.417000 1.0079 + 8550 SYS 2850 TIP3 H2 A 0.417000 1.0079 + 8551 SYS 2851 TIP3 O1 C -0.834000 15.9994 + 8552 SYS 2851 TIP3 H1 A 0.417000 1.0079 + 8553 SYS 2851 TIP3 H2 A 0.417000 1.0079 + 8554 SYS 2852 TIP3 O1 C -0.834000 15.9994 + 8555 SYS 2852 TIP3 H1 A 0.417000 1.0079 + 8556 SYS 2852 TIP3 H2 A 0.417000 1.0079 + 8557 SYS 2853 TIP3 O1 C -0.834000 15.9994 + 8558 SYS 2853 TIP3 H1 A 0.417000 1.0079 + 8559 SYS 2853 TIP3 H2 A 0.417000 1.0079 + 8560 SYS 2854 TIP3 O1 C -0.834000 15.9994 + 8561 SYS 2854 TIP3 H1 A 0.417000 1.0079 + 8562 SYS 2854 TIP3 H2 A 0.417000 1.0079 + 8563 SYS 2855 TIP3 O1 C -0.834000 15.9994 + 8564 SYS 2855 TIP3 H1 A 0.417000 1.0079 + 8565 SYS 2855 TIP3 H2 A 0.417000 1.0079 + 8566 SYS 2856 TIP3 O1 C -0.834000 15.9994 + 8567 SYS 2856 TIP3 H1 A 0.417000 1.0079 + 8568 SYS 2856 TIP3 H2 A 0.417000 1.0079 + 8569 SYS 2857 TIP3 O1 C -0.834000 15.9994 + 8570 SYS 2857 TIP3 H1 A 0.417000 1.0079 + 8571 SYS 2857 TIP3 H2 A 0.417000 1.0079 + 8572 SYS 2858 TIP3 O1 C -0.834000 15.9994 + 8573 SYS 2858 TIP3 H1 A 0.417000 1.0079 + 8574 SYS 2858 TIP3 H2 A 0.417000 1.0079 + 8575 SYS 2859 TIP3 O1 C -0.834000 15.9994 + 8576 SYS 2859 TIP3 H1 A 0.417000 1.0079 + 8577 SYS 2859 TIP3 H2 A 0.417000 1.0079 + 8578 SYS 2860 TIP3 O1 C -0.834000 15.9994 + 8579 SYS 2860 TIP3 H1 A 0.417000 1.0079 + 8580 SYS 2860 TIP3 H2 A 0.417000 1.0079 + 8581 SYS 2861 TIP3 O1 C -0.834000 15.9994 + 8582 SYS 2861 TIP3 H1 A 0.417000 1.0079 + 8583 SYS 2861 TIP3 H2 A 0.417000 1.0079 + 8584 SYS 2862 TIP3 O1 C -0.834000 15.9994 + 8585 SYS 2862 TIP3 H1 A 0.417000 1.0079 + 8586 SYS 2862 TIP3 H2 A 0.417000 1.0079 + 8587 SYS 2863 TIP3 O1 C -0.834000 15.9994 + 8588 SYS 2863 TIP3 H1 A 0.417000 1.0079 + 8589 SYS 2863 TIP3 H2 A 0.417000 1.0079 + 8590 SYS 2864 TIP3 O1 C -0.834000 15.9994 + 8591 SYS 2864 TIP3 H1 A 0.417000 1.0079 + 8592 SYS 2864 TIP3 H2 A 0.417000 1.0079 + 8593 SYS 2865 TIP3 O1 C -0.834000 15.9994 + 8594 SYS 2865 TIP3 H1 A 0.417000 1.0079 + 8595 SYS 2865 TIP3 H2 A 0.417000 1.0079 + 8596 SYS 2866 TIP3 O1 C -0.834000 15.9994 + 8597 SYS 2866 TIP3 H1 A 0.417000 1.0079 + 8598 SYS 2866 TIP3 H2 A 0.417000 1.0079 + 8599 SYS 2867 TIP3 O1 C -0.834000 15.9994 + 8600 SYS 2867 TIP3 H1 A 0.417000 1.0079 + 8601 SYS 2867 TIP3 H2 A 0.417000 1.0079 + 8602 SYS 2868 TIP3 O1 C -0.834000 15.9994 + 8603 SYS 2868 TIP3 H1 A 0.417000 1.0079 + 8604 SYS 2868 TIP3 H2 A 0.417000 1.0079 + 8605 SYS 2869 TIP3 O1 C -0.834000 15.9994 + 8606 SYS 2869 TIP3 H1 A 0.417000 1.0079 + 8607 SYS 2869 TIP3 H2 A 0.417000 1.0079 + 8608 SYS 2870 TIP3 O1 C -0.834000 15.9994 + 8609 SYS 2870 TIP3 H1 A 0.417000 1.0079 + 8610 SYS 2870 TIP3 H2 A 0.417000 1.0079 + 8611 SYS 2871 TIP3 O1 C -0.834000 15.9994 + 8612 SYS 2871 TIP3 H1 A 0.417000 1.0079 + 8613 SYS 2871 TIP3 H2 A 0.417000 1.0079 + 8614 SYS 2872 TIP3 O1 C -0.834000 15.9994 + 8615 SYS 2872 TIP3 H1 A 0.417000 1.0079 + 8616 SYS 2872 TIP3 H2 A 0.417000 1.0079 + 8617 SYS 2873 TIP3 O1 C -0.834000 15.9994 + 8618 SYS 2873 TIP3 H1 A 0.417000 1.0079 + 8619 SYS 2873 TIP3 H2 A 0.417000 1.0079 + 8620 SYS 2874 TIP3 O1 C -0.834000 15.9994 + 8621 SYS 2874 TIP3 H1 A 0.417000 1.0079 + 8622 SYS 2874 TIP3 H2 A 0.417000 1.0079 + 8623 SYS 2875 TIP3 O1 C -0.834000 15.9994 + 8624 SYS 2875 TIP3 H1 A 0.417000 1.0079 + 8625 SYS 2875 TIP3 H2 A 0.417000 1.0079 + 8626 SYS 2876 TIP3 O1 C -0.834000 15.9994 + 8627 SYS 2876 TIP3 H1 A 0.417000 1.0079 + 8628 SYS 2876 TIP3 H2 A 0.417000 1.0079 + 8629 SYS 2877 TIP3 O1 C -0.834000 15.9994 + 8630 SYS 2877 TIP3 H1 A 0.417000 1.0079 + 8631 SYS 2877 TIP3 H2 A 0.417000 1.0079 + 8632 SYS 2878 TIP3 O1 C -0.834000 15.9994 + 8633 SYS 2878 TIP3 H1 A 0.417000 1.0079 + 8634 SYS 2878 TIP3 H2 A 0.417000 1.0079 + 8635 SYS 2879 TIP3 O1 C -0.834000 15.9994 + 8636 SYS 2879 TIP3 H1 A 0.417000 1.0079 + 8637 SYS 2879 TIP3 H2 A 0.417000 1.0079 + 8638 SYS 2880 TIP3 O1 C -0.834000 15.9994 + 8639 SYS 2880 TIP3 H1 A 0.417000 1.0079 + 8640 SYS 2880 TIP3 H2 A 0.417000 1.0079 + 8641 SYS 2881 TIP3 O1 C -0.834000 15.9994 + 8642 SYS 2881 TIP3 H1 A 0.417000 1.0079 + 8643 SYS 2881 TIP3 H2 A 0.417000 1.0079 + 8644 SYS 2882 TIP3 O1 C -0.834000 15.9994 + 8645 SYS 2882 TIP3 H1 A 0.417000 1.0079 + 8646 SYS 2882 TIP3 H2 A 0.417000 1.0079 + 8647 SYS 2883 TIP3 O1 C -0.834000 15.9994 + 8648 SYS 2883 TIP3 H1 A 0.417000 1.0079 + 8649 SYS 2883 TIP3 H2 A 0.417000 1.0079 + 8650 SYS 2884 TIP3 O1 C -0.834000 15.9994 + 8651 SYS 2884 TIP3 H1 A 0.417000 1.0079 + 8652 SYS 2884 TIP3 H2 A 0.417000 1.0079 + 8653 SYS 2885 TIP3 O1 C -0.834000 15.9994 + 8654 SYS 2885 TIP3 H1 A 0.417000 1.0079 + 8655 SYS 2885 TIP3 H2 A 0.417000 1.0079 + 8656 SYS 2886 TIP3 O1 C -0.834000 15.9994 + 8657 SYS 2886 TIP3 H1 A 0.417000 1.0079 + 8658 SYS 2886 TIP3 H2 A 0.417000 1.0079 + 8659 SYS 2887 TIP3 O1 C -0.834000 15.9994 + 8660 SYS 2887 TIP3 H1 A 0.417000 1.0079 + 8661 SYS 2887 TIP3 H2 A 0.417000 1.0079 + 8662 SYS 2888 TIP3 O1 C -0.834000 15.9994 + 8663 SYS 2888 TIP3 H1 A 0.417000 1.0079 + 8664 SYS 2888 TIP3 H2 A 0.417000 1.0079 + 8665 SYS 2889 TIP3 O1 C -0.834000 15.9994 + 8666 SYS 2889 TIP3 H1 A 0.417000 1.0079 + 8667 SYS 2889 TIP3 H2 A 0.417000 1.0079 + 8668 SYS 2890 TIP3 O1 C -0.834000 15.9994 + 8669 SYS 2890 TIP3 H1 A 0.417000 1.0079 + 8670 SYS 2890 TIP3 H2 A 0.417000 1.0079 + 8671 SYS 2891 TIP3 O1 C -0.834000 15.9994 + 8672 SYS 2891 TIP3 H1 A 0.417000 1.0079 + 8673 SYS 2891 TIP3 H2 A 0.417000 1.0079 + 8674 SYS 2892 TIP3 O1 C -0.834000 15.9994 + 8675 SYS 2892 TIP3 H1 A 0.417000 1.0079 + 8676 SYS 2892 TIP3 H2 A 0.417000 1.0079 + 8677 SYS 2893 TIP3 O1 C -0.834000 15.9994 + 8678 SYS 2893 TIP3 H1 A 0.417000 1.0079 + 8679 SYS 2893 TIP3 H2 A 0.417000 1.0079 + 8680 SYS 2894 TIP3 O1 C -0.834000 15.9994 + 8681 SYS 2894 TIP3 H1 A 0.417000 1.0079 + 8682 SYS 2894 TIP3 H2 A 0.417000 1.0079 + 8683 SYS 2895 TIP3 O1 C -0.834000 15.9994 + 8684 SYS 2895 TIP3 H1 A 0.417000 1.0079 + 8685 SYS 2895 TIP3 H2 A 0.417000 1.0079 + 8686 SYS 2896 TIP3 O1 C -0.834000 15.9994 + 8687 SYS 2896 TIP3 H1 A 0.417000 1.0079 + 8688 SYS 2896 TIP3 H2 A 0.417000 1.0079 + 8689 SYS 2897 TIP3 O1 C -0.834000 15.9994 + 8690 SYS 2897 TIP3 H1 A 0.417000 1.0079 + 8691 SYS 2897 TIP3 H2 A 0.417000 1.0079 + 8692 SYS 2898 TIP3 O1 C -0.834000 15.9994 + 8693 SYS 2898 TIP3 H1 A 0.417000 1.0079 + 8694 SYS 2898 TIP3 H2 A 0.417000 1.0079 + 8695 SYS 2899 TIP3 O1 C -0.834000 15.9994 + 8696 SYS 2899 TIP3 H1 A 0.417000 1.0079 + 8697 SYS 2899 TIP3 H2 A 0.417000 1.0079 + 8698 SYS 2900 TIP3 O1 C -0.834000 15.9994 + 8699 SYS 2900 TIP3 H1 A 0.417000 1.0079 + 8700 SYS 2900 TIP3 H2 A 0.417000 1.0079 + 8701 SYS 2901 TIP3 O1 C -0.834000 15.9994 + 8702 SYS 2901 TIP3 H1 A 0.417000 1.0079 + 8703 SYS 2901 TIP3 H2 A 0.417000 1.0079 + 8704 SYS 2902 TIP3 O1 C -0.834000 15.9994 + 8705 SYS 2902 TIP3 H1 A 0.417000 1.0079 + 8706 SYS 2902 TIP3 H2 A 0.417000 1.0079 + 8707 SYS 2903 TIP3 O1 C -0.834000 15.9994 + 8708 SYS 2903 TIP3 H1 A 0.417000 1.0079 + 8709 SYS 2903 TIP3 H2 A 0.417000 1.0079 + 8710 SYS 2904 TIP3 O1 C -0.834000 15.9994 + 8711 SYS 2904 TIP3 H1 A 0.417000 1.0079 + 8712 SYS 2904 TIP3 H2 A 0.417000 1.0079 + 8713 SYS 2905 TIP3 O1 C -0.834000 15.9994 + 8714 SYS 2905 TIP3 H1 A 0.417000 1.0079 + 8715 SYS 2905 TIP3 H2 A 0.417000 1.0079 + 8716 SYS 2906 TIP3 O1 C -0.834000 15.9994 + 8717 SYS 2906 TIP3 H1 A 0.417000 1.0079 + 8718 SYS 2906 TIP3 H2 A 0.417000 1.0079 + 8719 SYS 2907 TIP3 O1 C -0.834000 15.9994 + 8720 SYS 2907 TIP3 H1 A 0.417000 1.0079 + 8721 SYS 2907 TIP3 H2 A 0.417000 1.0079 + 8722 SYS 2908 TIP3 O1 C -0.834000 15.9994 + 8723 SYS 2908 TIP3 H1 A 0.417000 1.0079 + 8724 SYS 2908 TIP3 H2 A 0.417000 1.0079 + 8725 SYS 2909 TIP3 O1 C -0.834000 15.9994 + 8726 SYS 2909 TIP3 H1 A 0.417000 1.0079 + 8727 SYS 2909 TIP3 H2 A 0.417000 1.0079 + 8728 SYS 2910 TIP3 O1 C -0.834000 15.9994 + 8729 SYS 2910 TIP3 H1 A 0.417000 1.0079 + 8730 SYS 2910 TIP3 H2 A 0.417000 1.0079 + 8731 SYS 2911 TIP3 O1 C -0.834000 15.9994 + 8732 SYS 2911 TIP3 H1 A 0.417000 1.0079 + 8733 SYS 2911 TIP3 H2 A 0.417000 1.0079 + 8734 SYS 2912 TIP3 O1 C -0.834000 15.9994 + 8735 SYS 2912 TIP3 H1 A 0.417000 1.0079 + 8736 SYS 2912 TIP3 H2 A 0.417000 1.0079 + 8737 SYS 2913 TIP3 O1 C -0.834000 15.9994 + 8738 SYS 2913 TIP3 H1 A 0.417000 1.0079 + 8739 SYS 2913 TIP3 H2 A 0.417000 1.0079 + 8740 SYS 2914 TIP3 O1 C -0.834000 15.9994 + 8741 SYS 2914 TIP3 H1 A 0.417000 1.0079 + 8742 SYS 2914 TIP3 H2 A 0.417000 1.0079 + 8743 SYS 2915 TIP3 O1 C -0.834000 15.9994 + 8744 SYS 2915 TIP3 H1 A 0.417000 1.0079 + 8745 SYS 2915 TIP3 H2 A 0.417000 1.0079 + 8746 SYS 2916 TIP3 O1 C -0.834000 15.9994 + 8747 SYS 2916 TIP3 H1 A 0.417000 1.0079 + 8748 SYS 2916 TIP3 H2 A 0.417000 1.0079 + 8749 SYS 2917 TIP3 O1 C -0.834000 15.9994 + 8750 SYS 2917 TIP3 H1 A 0.417000 1.0079 + 8751 SYS 2917 TIP3 H2 A 0.417000 1.0079 + 8752 SYS 2918 TIP3 O1 C -0.834000 15.9994 + 8753 SYS 2918 TIP3 H1 A 0.417000 1.0079 + 8754 SYS 2918 TIP3 H2 A 0.417000 1.0079 + 8755 SYS 2919 TIP3 O1 C -0.834000 15.9994 + 8756 SYS 2919 TIP3 H1 A 0.417000 1.0079 + 8757 SYS 2919 TIP3 H2 A 0.417000 1.0079 + 8758 SYS 2920 TIP3 O1 C -0.834000 15.9994 + 8759 SYS 2920 TIP3 H1 A 0.417000 1.0079 + 8760 SYS 2920 TIP3 H2 A 0.417000 1.0079 + 8761 SYS 2921 TIP3 O1 C -0.834000 15.9994 + 8762 SYS 2921 TIP3 H1 A 0.417000 1.0079 + 8763 SYS 2921 TIP3 H2 A 0.417000 1.0079 + 8764 SYS 2922 TIP3 O1 C -0.834000 15.9994 + 8765 SYS 2922 TIP3 H1 A 0.417000 1.0079 + 8766 SYS 2922 TIP3 H2 A 0.417000 1.0079 + 8767 SYS 2923 TIP3 O1 C -0.834000 15.9994 + 8768 SYS 2923 TIP3 H1 A 0.417000 1.0079 + 8769 SYS 2923 TIP3 H2 A 0.417000 1.0079 + 8770 SYS 2924 TIP3 O1 C -0.834000 15.9994 + 8771 SYS 2924 TIP3 H1 A 0.417000 1.0079 + 8772 SYS 2924 TIP3 H2 A 0.417000 1.0079 + 8773 SYS 2925 TIP3 O1 C -0.834000 15.9994 + 8774 SYS 2925 TIP3 H1 A 0.417000 1.0079 + 8775 SYS 2925 TIP3 H2 A 0.417000 1.0079 + 8776 SYS 2926 TIP3 O1 C -0.834000 15.9994 + 8777 SYS 2926 TIP3 H1 A 0.417000 1.0079 + 8778 SYS 2926 TIP3 H2 A 0.417000 1.0079 + 8779 SYS 2927 TIP3 O1 C -0.834000 15.9994 + 8780 SYS 2927 TIP3 H1 A 0.417000 1.0079 + 8781 SYS 2927 TIP3 H2 A 0.417000 1.0079 + 8782 SYS 2928 TIP3 O1 C -0.834000 15.9994 + 8783 SYS 2928 TIP3 H1 A 0.417000 1.0079 + 8784 SYS 2928 TIP3 H2 A 0.417000 1.0079 + 8785 SYS 2929 TIP3 O1 C -0.834000 15.9994 + 8786 SYS 2929 TIP3 H1 A 0.417000 1.0079 + 8787 SYS 2929 TIP3 H2 A 0.417000 1.0079 + 8788 SYS 2930 TIP3 O1 C -0.834000 15.9994 + 8789 SYS 2930 TIP3 H1 A 0.417000 1.0079 + 8790 SYS 2930 TIP3 H2 A 0.417000 1.0079 + 8791 SYS 2931 TIP3 O1 C -0.834000 15.9994 + 8792 SYS 2931 TIP3 H1 A 0.417000 1.0079 + 8793 SYS 2931 TIP3 H2 A 0.417000 1.0079 + 8794 SYS 2932 TIP3 O1 C -0.834000 15.9994 + 8795 SYS 2932 TIP3 H1 A 0.417000 1.0079 + 8796 SYS 2932 TIP3 H2 A 0.417000 1.0079 + 8797 SYS 2933 TIP3 O1 C -0.834000 15.9994 + 8798 SYS 2933 TIP3 H1 A 0.417000 1.0079 + 8799 SYS 2933 TIP3 H2 A 0.417000 1.0079 + 8800 SYS 2934 TIP3 O1 C -0.834000 15.9994 + 8801 SYS 2934 TIP3 H1 A 0.417000 1.0079 + 8802 SYS 2934 TIP3 H2 A 0.417000 1.0079 + 8803 SYS 2935 TIP3 O1 C -0.834000 15.9994 + 8804 SYS 2935 TIP3 H1 A 0.417000 1.0079 + 8805 SYS 2935 TIP3 H2 A 0.417000 1.0079 + 8806 SYS 2936 TIP3 O1 C -0.834000 15.9994 + 8807 SYS 2936 TIP3 H1 A 0.417000 1.0079 + 8808 SYS 2936 TIP3 H2 A 0.417000 1.0079 + 8809 SYS 2937 TIP3 O1 C -0.834000 15.9994 + 8810 SYS 2937 TIP3 H1 A 0.417000 1.0079 + 8811 SYS 2937 TIP3 H2 A 0.417000 1.0079 + 8812 SYS 2938 TIP3 O1 C -0.834000 15.9994 + 8813 SYS 2938 TIP3 H1 A 0.417000 1.0079 + 8814 SYS 2938 TIP3 H2 A 0.417000 1.0079 + 8815 SYS 2939 TIP3 O1 C -0.834000 15.9994 + 8816 SYS 2939 TIP3 H1 A 0.417000 1.0079 + 8817 SYS 2939 TIP3 H2 A 0.417000 1.0079 + 8818 SYS 2940 TIP3 O1 C -0.834000 15.9994 + 8819 SYS 2940 TIP3 H1 A 0.417000 1.0079 + 8820 SYS 2940 TIP3 H2 A 0.417000 1.0079 + 8821 SYS 2941 TIP3 O1 C -0.834000 15.9994 + 8822 SYS 2941 TIP3 H1 A 0.417000 1.0079 + 8823 SYS 2941 TIP3 H2 A 0.417000 1.0079 + 8824 SYS 2942 TIP3 O1 C -0.834000 15.9994 + 8825 SYS 2942 TIP3 H1 A 0.417000 1.0079 + 8826 SYS 2942 TIP3 H2 A 0.417000 1.0079 + 8827 SYS 2943 TIP3 O1 C -0.834000 15.9994 + 8828 SYS 2943 TIP3 H1 A 0.417000 1.0079 + 8829 SYS 2943 TIP3 H2 A 0.417000 1.0079 + 8830 SYS 2944 TIP3 O1 C -0.834000 15.9994 + 8831 SYS 2944 TIP3 H1 A 0.417000 1.0079 + 8832 SYS 2944 TIP3 H2 A 0.417000 1.0079 + 8833 SYS 2945 TIP3 O1 C -0.834000 15.9994 + 8834 SYS 2945 TIP3 H1 A 0.417000 1.0079 + 8835 SYS 2945 TIP3 H2 A 0.417000 1.0079 + 8836 SYS 2946 TIP3 O1 C -0.834000 15.9994 + 8837 SYS 2946 TIP3 H1 A 0.417000 1.0079 + 8838 SYS 2946 TIP3 H2 A 0.417000 1.0079 + 8839 SYS 2947 TIP3 O1 C -0.834000 15.9994 + 8840 SYS 2947 TIP3 H1 A 0.417000 1.0079 + 8841 SYS 2947 TIP3 H2 A 0.417000 1.0079 + 8842 SYS 2948 TIP3 O1 C -0.834000 15.9994 + 8843 SYS 2948 TIP3 H1 A 0.417000 1.0079 + 8844 SYS 2948 TIP3 H2 A 0.417000 1.0079 + 8845 SYS 2949 TIP3 O1 C -0.834000 15.9994 + 8846 SYS 2949 TIP3 H1 A 0.417000 1.0079 + 8847 SYS 2949 TIP3 H2 A 0.417000 1.0079 + 8848 SYS 2950 TIP3 O1 C -0.834000 15.9994 + 8849 SYS 2950 TIP3 H1 A 0.417000 1.0079 + 8850 SYS 2950 TIP3 H2 A 0.417000 1.0079 + 8851 SYS 2951 TIP3 O1 C -0.834000 15.9994 + 8852 SYS 2951 TIP3 H1 A 0.417000 1.0079 + 8853 SYS 2951 TIP3 H2 A 0.417000 1.0079 + 8854 SYS 2952 TIP3 O1 C -0.834000 15.9994 + 8855 SYS 2952 TIP3 H1 A 0.417000 1.0079 + 8856 SYS 2952 TIP3 H2 A 0.417000 1.0079 + 8857 SYS 2953 TIP3 O1 C -0.834000 15.9994 + 8858 SYS 2953 TIP3 H1 A 0.417000 1.0079 + 8859 SYS 2953 TIP3 H2 A 0.417000 1.0079 + 8860 SYS 2954 TIP3 O1 C -0.834000 15.9994 + 8861 SYS 2954 TIP3 H1 A 0.417000 1.0079 + 8862 SYS 2954 TIP3 H2 A 0.417000 1.0079 + 8863 SYS 2955 TIP3 O1 C -0.834000 15.9994 + 8864 SYS 2955 TIP3 H1 A 0.417000 1.0079 + 8865 SYS 2955 TIP3 H2 A 0.417000 1.0079 + 8866 SYS 2956 TIP3 O1 C -0.834000 15.9994 + 8867 SYS 2956 TIP3 H1 A 0.417000 1.0079 + 8868 SYS 2956 TIP3 H2 A 0.417000 1.0079 + 8869 SYS 2957 TIP3 O1 C -0.834000 15.9994 + 8870 SYS 2957 TIP3 H1 A 0.417000 1.0079 + 8871 SYS 2957 TIP3 H2 A 0.417000 1.0079 + 8872 SYS 2958 TIP3 O1 C -0.834000 15.9994 + 8873 SYS 2958 TIP3 H1 A 0.417000 1.0079 + 8874 SYS 2958 TIP3 H2 A 0.417000 1.0079 + 8875 SYS 2959 TIP3 O1 C -0.834000 15.9994 + 8876 SYS 2959 TIP3 H1 A 0.417000 1.0079 + 8877 SYS 2959 TIP3 H2 A 0.417000 1.0079 + 8878 SYS 2960 TIP3 O1 C -0.834000 15.9994 + 8879 SYS 2960 TIP3 H1 A 0.417000 1.0079 + 8880 SYS 2960 TIP3 H2 A 0.417000 1.0079 + 8881 SYS 2961 TIP3 O1 C -0.834000 15.9994 + 8882 SYS 2961 TIP3 H1 A 0.417000 1.0079 + 8883 SYS 2961 TIP3 H2 A 0.417000 1.0079 + 8884 SYS 2962 TIP3 O1 C -0.834000 15.9994 + 8885 SYS 2962 TIP3 H1 A 0.417000 1.0079 + 8886 SYS 2962 TIP3 H2 A 0.417000 1.0079 + 8887 SYS 2963 TIP3 O1 C -0.834000 15.9994 + 8888 SYS 2963 TIP3 H1 A 0.417000 1.0079 + 8889 SYS 2963 TIP3 H2 A 0.417000 1.0079 + 8890 SYS 2964 TIP3 O1 C -0.834000 15.9994 + 8891 SYS 2964 TIP3 H1 A 0.417000 1.0079 + 8892 SYS 2964 TIP3 H2 A 0.417000 1.0079 + 8893 SYS 2965 TIP3 O1 C -0.834000 15.9994 + 8894 SYS 2965 TIP3 H1 A 0.417000 1.0079 + 8895 SYS 2965 TIP3 H2 A 0.417000 1.0079 + 8896 SYS 2966 TIP3 O1 C -0.834000 15.9994 + 8897 SYS 2966 TIP3 H1 A 0.417000 1.0079 + 8898 SYS 2966 TIP3 H2 A 0.417000 1.0079 + 8899 SYS 2967 TIP3 O1 C -0.834000 15.9994 + 8900 SYS 2967 TIP3 H1 A 0.417000 1.0079 + 8901 SYS 2967 TIP3 H2 A 0.417000 1.0079 + 8902 SYS 2968 TIP3 O1 C -0.834000 15.9994 + 8903 SYS 2968 TIP3 H1 A 0.417000 1.0079 + 8904 SYS 2968 TIP3 H2 A 0.417000 1.0079 + 8905 SYS 2969 TIP3 O1 C -0.834000 15.9994 + 8906 SYS 2969 TIP3 H1 A 0.417000 1.0079 + 8907 SYS 2969 TIP3 H2 A 0.417000 1.0079 + 8908 SYS 2970 TIP3 O1 C -0.834000 15.9994 + 8909 SYS 2970 TIP3 H1 A 0.417000 1.0079 + 8910 SYS 2970 TIP3 H2 A 0.417000 1.0079 + 8911 SYS 2971 TIP3 O1 C -0.834000 15.9994 + 8912 SYS 2971 TIP3 H1 A 0.417000 1.0079 + 8913 SYS 2971 TIP3 H2 A 0.417000 1.0079 + 8914 SYS 2972 TIP3 O1 C -0.834000 15.9994 + 8915 SYS 2972 TIP3 H1 A 0.417000 1.0079 + 8916 SYS 2972 TIP3 H2 A 0.417000 1.0079 + 8917 SYS 2973 TIP3 O1 C -0.834000 15.9994 + 8918 SYS 2973 TIP3 H1 A 0.417000 1.0079 + 8919 SYS 2973 TIP3 H2 A 0.417000 1.0079 + 8920 SYS 2974 TIP3 O1 C -0.834000 15.9994 + 8921 SYS 2974 TIP3 H1 A 0.417000 1.0079 + 8922 SYS 2974 TIP3 H2 A 0.417000 1.0079 + 8923 SYS 2975 TIP3 O1 C -0.834000 15.9994 + 8924 SYS 2975 TIP3 H1 A 0.417000 1.0079 + 8925 SYS 2975 TIP3 H2 A 0.417000 1.0079 + 8926 SYS 2976 TIP3 O1 C -0.834000 15.9994 + 8927 SYS 2976 TIP3 H1 A 0.417000 1.0079 + 8928 SYS 2976 TIP3 H2 A 0.417000 1.0079 + 8929 SYS 2977 TIP3 O1 C -0.834000 15.9994 + 8930 SYS 2977 TIP3 H1 A 0.417000 1.0079 + 8931 SYS 2977 TIP3 H2 A 0.417000 1.0079 + 8932 SYS 2978 TIP3 O1 C -0.834000 15.9994 + 8933 SYS 2978 TIP3 H1 A 0.417000 1.0079 + 8934 SYS 2978 TIP3 H2 A 0.417000 1.0079 + 8935 SYS 2979 TIP3 O1 C -0.834000 15.9994 + 8936 SYS 2979 TIP3 H1 A 0.417000 1.0079 + 8937 SYS 2979 TIP3 H2 A 0.417000 1.0079 + 8938 SYS 2980 TIP3 O1 C -0.834000 15.9994 + 8939 SYS 2980 TIP3 H1 A 0.417000 1.0079 + 8940 SYS 2980 TIP3 H2 A 0.417000 1.0079 + 8941 SYS 2981 TIP3 O1 C -0.834000 15.9994 + 8942 SYS 2981 TIP3 H1 A 0.417000 1.0079 + 8943 SYS 2981 TIP3 H2 A 0.417000 1.0079 + 8944 SYS 2982 TIP3 O1 C -0.834000 15.9994 + 8945 SYS 2982 TIP3 H1 A 0.417000 1.0079 + 8946 SYS 2982 TIP3 H2 A 0.417000 1.0079 + 8947 SYS 2983 TIP3 O1 C -0.834000 15.9994 + 8948 SYS 2983 TIP3 H1 A 0.417000 1.0079 + 8949 SYS 2983 TIP3 H2 A 0.417000 1.0079 + 8950 SYS 2984 TIP3 O1 C -0.834000 15.9994 + 8951 SYS 2984 TIP3 H1 A 0.417000 1.0079 + 8952 SYS 2984 TIP3 H2 A 0.417000 1.0079 + 8953 SYS 2985 TIP3 O1 C -0.834000 15.9994 + 8954 SYS 2985 TIP3 H1 A 0.417000 1.0079 + 8955 SYS 2985 TIP3 H2 A 0.417000 1.0079 + 8956 SYS 2986 TIP3 O1 C -0.834000 15.9994 + 8957 SYS 2986 TIP3 H1 A 0.417000 1.0079 + 8958 SYS 2986 TIP3 H2 A 0.417000 1.0079 + 8959 SYS 2987 TIP3 O1 C -0.834000 15.9994 + 8960 SYS 2987 TIP3 H1 A 0.417000 1.0079 + 8961 SYS 2987 TIP3 H2 A 0.417000 1.0079 + 8962 SYS 2988 TIP3 O1 C -0.834000 15.9994 + 8963 SYS 2988 TIP3 H1 A 0.417000 1.0079 + 8964 SYS 2988 TIP3 H2 A 0.417000 1.0079 + 8965 SYS 2989 TIP3 O1 C -0.834000 15.9994 + 8966 SYS 2989 TIP3 H1 A 0.417000 1.0079 + 8967 SYS 2989 TIP3 H2 A 0.417000 1.0079 + 8968 SYS 2990 TIP3 O1 C -0.834000 15.9994 + 8969 SYS 2990 TIP3 H1 A 0.417000 1.0079 + 8970 SYS 2990 TIP3 H2 A 0.417000 1.0079 + 8971 SYS 2991 TIP3 O1 C -0.834000 15.9994 + 8972 SYS 2991 TIP3 H1 A 0.417000 1.0079 + 8973 SYS 2991 TIP3 H2 A 0.417000 1.0079 + 8974 SYS 2992 TIP3 O1 C -0.834000 15.9994 + 8975 SYS 2992 TIP3 H1 A 0.417000 1.0079 + 8976 SYS 2992 TIP3 H2 A 0.417000 1.0079 + 8977 SYS 2993 TIP3 O1 C -0.834000 15.9994 + 8978 SYS 2993 TIP3 H1 A 0.417000 1.0079 + 8979 SYS 2993 TIP3 H2 A 0.417000 1.0079 + 8980 SYS 2994 TIP3 O1 C -0.834000 15.9994 + 8981 SYS 2994 TIP3 H1 A 0.417000 1.0079 + 8982 SYS 2994 TIP3 H2 A 0.417000 1.0079 + 8983 SYS 2995 TIP3 O1 C -0.834000 15.9994 + 8984 SYS 2995 TIP3 H1 A 0.417000 1.0079 + 8985 SYS 2995 TIP3 H2 A 0.417000 1.0079 + 8986 SYS 2996 TIP3 O1 C -0.834000 15.9994 + 8987 SYS 2996 TIP3 H1 A 0.417000 1.0079 + 8988 SYS 2996 TIP3 H2 A 0.417000 1.0079 + 8989 SYS 2997 TIP3 O1 C -0.834000 15.9994 + 8990 SYS 2997 TIP3 H1 A 0.417000 1.0079 + 8991 SYS 2997 TIP3 H2 A 0.417000 1.0079 + 8992 SYS 2998 TIP3 O1 C -0.834000 15.9994 + 8993 SYS 2998 TIP3 H1 A 0.417000 1.0079 + 8994 SYS 2998 TIP3 H2 A 0.417000 1.0079 + 8995 SYS 2999 TIP3 O1 C -0.834000 15.9994 + 8996 SYS 2999 TIP3 H1 A 0.417000 1.0079 + 8997 SYS 2999 TIP3 H2 A 0.417000 1.0079 + 8998 SYS 3000 TIP3 O1 C -0.834000 15.9994 + 8999 SYS 3000 TIP3 H1 A 0.417000 1.0079 + 9000 SYS 3000 TIP3 H2 A 0.417000 1.0079 + 9001 SYS 3001 TIP3 O1 C -0.834000 15.9994 + 9002 SYS 3001 TIP3 H1 A 0.417000 1.0079 + 9003 SYS 3001 TIP3 H2 A 0.417000 1.0079 + 9004 SYS 3002 TIP3 O1 C -0.834000 15.9994 + 9005 SYS 3002 TIP3 H1 A 0.417000 1.0079 + 9006 SYS 3002 TIP3 H2 A 0.417000 1.0079 + 9007 SYS 3003 TIP3 O1 C -0.834000 15.9994 + 9008 SYS 3003 TIP3 H1 A 0.417000 1.0079 + 9009 SYS 3003 TIP3 H2 A 0.417000 1.0079 + 9010 SYS 3004 TIP3 O1 C -0.834000 15.9994 + 9011 SYS 3004 TIP3 H1 A 0.417000 1.0079 + 9012 SYS 3004 TIP3 H2 A 0.417000 1.0079 + 9013 SYS 3005 TIP3 O1 C -0.834000 15.9994 + 9014 SYS 3005 TIP3 H1 A 0.417000 1.0079 + 9015 SYS 3005 TIP3 H2 A 0.417000 1.0079 + 9016 SYS 3006 TIP3 O1 C -0.834000 15.9994 + 9017 SYS 3006 TIP3 H1 A 0.417000 1.0079 + 9018 SYS 3006 TIP3 H2 A 0.417000 1.0079 + 9019 SYS 3007 TIP3 O1 C -0.834000 15.9994 + 9020 SYS 3007 TIP3 H1 A 0.417000 1.0079 + 9021 SYS 3007 TIP3 H2 A 0.417000 1.0079 + 9022 SYS 3008 TIP3 O1 C -0.834000 15.9994 + 9023 SYS 3008 TIP3 H1 A 0.417000 1.0079 + 9024 SYS 3008 TIP3 H2 A 0.417000 1.0079 + 9025 SYS 3009 TIP3 O1 C -0.834000 15.9994 + 9026 SYS 3009 TIP3 H1 A 0.417000 1.0079 + 9027 SYS 3009 TIP3 H2 A 0.417000 1.0079 + 9028 SYS 3010 TIP3 O1 C -0.834000 15.9994 + 9029 SYS 3010 TIP3 H1 A 0.417000 1.0079 + 9030 SYS 3010 TIP3 H2 A 0.417000 1.0079 + 9031 SYS 3011 TIP3 O1 C -0.834000 15.9994 + 9032 SYS 3011 TIP3 H1 A 0.417000 1.0079 + 9033 SYS 3011 TIP3 H2 A 0.417000 1.0079 + 9034 SYS 3012 TIP3 O1 C -0.834000 15.9994 + 9035 SYS 3012 TIP3 H1 A 0.417000 1.0079 + 9036 SYS 3012 TIP3 H2 A 0.417000 1.0079 + 9037 SYS 3013 TIP3 O1 C -0.834000 15.9994 + 9038 SYS 3013 TIP3 H1 A 0.417000 1.0079 + 9039 SYS 3013 TIP3 H2 A 0.417000 1.0079 + 9040 SYS 3014 TIP3 O1 C -0.834000 15.9994 + 9041 SYS 3014 TIP3 H1 A 0.417000 1.0079 + 9042 SYS 3014 TIP3 H2 A 0.417000 1.0079 + 9043 SYS 3015 TIP3 O1 C -0.834000 15.9994 + 9044 SYS 3015 TIP3 H1 A 0.417000 1.0079 + 9045 SYS 3015 TIP3 H2 A 0.417000 1.0079 + 9046 SYS 3016 TIP3 O1 C -0.834000 15.9994 + 9047 SYS 3016 TIP3 H1 A 0.417000 1.0079 + 9048 SYS 3016 TIP3 H2 A 0.417000 1.0079 + 9049 SYS 3017 TIP3 O1 C -0.834000 15.9994 + 9050 SYS 3017 TIP3 H1 A 0.417000 1.0079 + 9051 SYS 3017 TIP3 H2 A 0.417000 1.0079 + 9052 SYS 3018 TIP3 O1 C -0.834000 15.9994 + 9053 SYS 3018 TIP3 H1 A 0.417000 1.0079 + 9054 SYS 3018 TIP3 H2 A 0.417000 1.0079 + 9055 SYS 3019 TIP3 O1 C -0.834000 15.9994 + 9056 SYS 3019 TIP3 H1 A 0.417000 1.0079 + 9057 SYS 3019 TIP3 H2 A 0.417000 1.0079 + 9058 SYS 3020 TIP3 O1 C -0.834000 15.9994 + 9059 SYS 3020 TIP3 H1 A 0.417000 1.0079 + 9060 SYS 3020 TIP3 H2 A 0.417000 1.0079 + 9061 SYS 3021 TIP3 O1 C -0.834000 15.9994 + 9062 SYS 3021 TIP3 H1 A 0.417000 1.0079 + 9063 SYS 3021 TIP3 H2 A 0.417000 1.0079 + 9064 SYS 3022 TIP3 O1 C -0.834000 15.9994 + 9065 SYS 3022 TIP3 H1 A 0.417000 1.0079 + 9066 SYS 3022 TIP3 H2 A 0.417000 1.0079 + 9067 SYS 3023 TIP3 O1 C -0.834000 15.9994 + 9068 SYS 3023 TIP3 H1 A 0.417000 1.0079 + 9069 SYS 3023 TIP3 H2 A 0.417000 1.0079 + 9070 SYS 3024 TIP3 O1 C -0.834000 15.9994 + 9071 SYS 3024 TIP3 H1 A 0.417000 1.0079 + 9072 SYS 3024 TIP3 H2 A 0.417000 1.0079 + 9073 SYS 3025 TIP3 O1 C -0.834000 15.9994 + 9074 SYS 3025 TIP3 H1 A 0.417000 1.0079 + 9075 SYS 3025 TIP3 H2 A 0.417000 1.0079 + 9076 SYS 3026 TIP3 O1 C -0.834000 15.9994 + 9077 SYS 3026 TIP3 H1 A 0.417000 1.0079 + 9078 SYS 3026 TIP3 H2 A 0.417000 1.0079 + 9079 SYS 3027 TIP3 O1 C -0.834000 15.9994 + 9080 SYS 3027 TIP3 H1 A 0.417000 1.0079 + 9081 SYS 3027 TIP3 H2 A 0.417000 1.0079 + 9082 SYS 3028 TIP3 O1 C -0.834000 15.9994 + 9083 SYS 3028 TIP3 H1 A 0.417000 1.0079 + 9084 SYS 3028 TIP3 H2 A 0.417000 1.0079 + 9085 SYS 3029 TIP3 O1 C -0.834000 15.9994 + 9086 SYS 3029 TIP3 H1 A 0.417000 1.0079 + 9087 SYS 3029 TIP3 H2 A 0.417000 1.0079 + 9088 SYS 3030 TIP3 O1 C -0.834000 15.9994 + 9089 SYS 3030 TIP3 H1 A 0.417000 1.0079 + 9090 SYS 3030 TIP3 H2 A 0.417000 1.0079 + 9091 SYS 3031 TIP3 O1 C -0.834000 15.9994 + 9092 SYS 3031 TIP3 H1 A 0.417000 1.0079 + 9093 SYS 3031 TIP3 H2 A 0.417000 1.0079 + 9094 SYS 3032 TIP3 O1 C -0.834000 15.9994 + 9095 SYS 3032 TIP3 H1 A 0.417000 1.0079 + 9096 SYS 3032 TIP3 H2 A 0.417000 1.0079 + 9097 SYS 3033 TIP3 O1 C -0.834000 15.9994 + 9098 SYS 3033 TIP3 H1 A 0.417000 1.0079 + 9099 SYS 3033 TIP3 H2 A 0.417000 1.0079 + 9100 SYS 3034 TIP3 O1 C -0.834000 15.9994 + 9101 SYS 3034 TIP3 H1 A 0.417000 1.0079 + 9102 SYS 3034 TIP3 H2 A 0.417000 1.0079 + 9103 SYS 3035 TIP3 O1 C -0.834000 15.9994 + 9104 SYS 3035 TIP3 H1 A 0.417000 1.0079 + 9105 SYS 3035 TIP3 H2 A 0.417000 1.0079 + 9106 SYS 3036 TIP3 O1 C -0.834000 15.9994 + 9107 SYS 3036 TIP3 H1 A 0.417000 1.0079 + 9108 SYS 3036 TIP3 H2 A 0.417000 1.0079 + 9109 SYS 3037 TIP3 O1 C -0.834000 15.9994 + 9110 SYS 3037 TIP3 H1 A 0.417000 1.0079 + 9111 SYS 3037 TIP3 H2 A 0.417000 1.0079 + 9112 SYS 3038 TIP3 O1 C -0.834000 15.9994 + 9113 SYS 3038 TIP3 H1 A 0.417000 1.0079 + 9114 SYS 3038 TIP3 H2 A 0.417000 1.0079 + 9115 SYS 3039 TIP3 O1 C -0.834000 15.9994 + 9116 SYS 3039 TIP3 H1 A 0.417000 1.0079 + 9117 SYS 3039 TIP3 H2 A 0.417000 1.0079 + 9118 SYS 3040 TIP3 O1 C -0.834000 15.9994 + 9119 SYS 3040 TIP3 H1 A 0.417000 1.0079 + 9120 SYS 3040 TIP3 H2 A 0.417000 1.0079 + 9121 SYS 3041 TIP3 O1 C -0.834000 15.9994 + 9122 SYS 3041 TIP3 H1 A 0.417000 1.0079 + 9123 SYS 3041 TIP3 H2 A 0.417000 1.0079 + 9124 SYS 3042 TIP3 O1 C -0.834000 15.9994 + 9125 SYS 3042 TIP3 H1 A 0.417000 1.0079 + 9126 SYS 3042 TIP3 H2 A 0.417000 1.0079 + 9127 SYS 3043 TIP3 O1 C -0.834000 15.9994 + 9128 SYS 3043 TIP3 H1 A 0.417000 1.0079 + 9129 SYS 3043 TIP3 H2 A 0.417000 1.0079 + 9130 SYS 3044 TIP3 O1 C -0.834000 15.9994 + 9131 SYS 3044 TIP3 H1 A 0.417000 1.0079 + 9132 SYS 3044 TIP3 H2 A 0.417000 1.0079 + 9133 SYS 3045 TIP3 O1 C -0.834000 15.9994 + 9134 SYS 3045 TIP3 H1 A 0.417000 1.0079 + 9135 SYS 3045 TIP3 H2 A 0.417000 1.0079 + 9136 SYS 3046 TIP3 O1 C -0.834000 15.9994 + 9137 SYS 3046 TIP3 H1 A 0.417000 1.0079 + 9138 SYS 3046 TIP3 H2 A 0.417000 1.0079 + 9139 SYS 3047 TIP3 O1 C -0.834000 15.9994 + 9140 SYS 3047 TIP3 H1 A 0.417000 1.0079 + 9141 SYS 3047 TIP3 H2 A 0.417000 1.0079 + 9142 SYS 3048 TIP3 O1 C -0.834000 15.9994 + 9143 SYS 3048 TIP3 H1 A 0.417000 1.0079 + 9144 SYS 3048 TIP3 H2 A 0.417000 1.0079 + 9145 SYS 3049 TIP3 O1 C -0.834000 15.9994 + 9146 SYS 3049 TIP3 H1 A 0.417000 1.0079 + 9147 SYS 3049 TIP3 H2 A 0.417000 1.0079 + 9148 SYS 3050 TIP3 O1 C -0.834000 15.9994 + 9149 SYS 3050 TIP3 H1 A 0.417000 1.0079 + 9150 SYS 3050 TIP3 H2 A 0.417000 1.0079 + 9151 SYS 3051 TIP3 O1 C -0.834000 15.9994 + 9152 SYS 3051 TIP3 H1 A 0.417000 1.0079 + 9153 SYS 3051 TIP3 H2 A 0.417000 1.0079 + 9154 SYS 3052 TIP3 O1 C -0.834000 15.9994 + 9155 SYS 3052 TIP3 H1 A 0.417000 1.0079 + 9156 SYS 3052 TIP3 H2 A 0.417000 1.0079 + 9157 SYS 3053 TIP3 O1 C -0.834000 15.9994 + 9158 SYS 3053 TIP3 H1 A 0.417000 1.0079 + 9159 SYS 3053 TIP3 H2 A 0.417000 1.0079 + 9160 SYS 3054 TIP3 O1 C -0.834000 15.9994 + 9161 SYS 3054 TIP3 H1 A 0.417000 1.0079 + 9162 SYS 3054 TIP3 H2 A 0.417000 1.0079 + 9163 SYS 3055 TIP3 O1 C -0.834000 15.9994 + 9164 SYS 3055 TIP3 H1 A 0.417000 1.0079 + 9165 SYS 3055 TIP3 H2 A 0.417000 1.0079 + 9166 SYS 3056 TIP3 O1 C -0.834000 15.9994 + 9167 SYS 3056 TIP3 H1 A 0.417000 1.0079 + 9168 SYS 3056 TIP3 H2 A 0.417000 1.0079 + 9169 SYS 3057 TIP3 O1 C -0.834000 15.9994 + 9170 SYS 3057 TIP3 H1 A 0.417000 1.0079 + 9171 SYS 3057 TIP3 H2 A 0.417000 1.0079 + 9172 SYS 3058 TIP3 O1 C -0.834000 15.9994 + 9173 SYS 3058 TIP3 H1 A 0.417000 1.0079 + 9174 SYS 3058 TIP3 H2 A 0.417000 1.0079 + 9175 SYS 3059 TIP3 O1 C -0.834000 15.9994 + 9176 SYS 3059 TIP3 H1 A 0.417000 1.0079 + 9177 SYS 3059 TIP3 H2 A 0.417000 1.0079 + 9178 SYS 3060 TIP3 O1 C -0.834000 15.9994 + 9179 SYS 3060 TIP3 H1 A 0.417000 1.0079 + 9180 SYS 3060 TIP3 H2 A 0.417000 1.0079 + 9181 SYS 3061 TIP3 O1 C -0.834000 15.9994 + 9182 SYS 3061 TIP3 H1 A 0.417000 1.0079 + 9183 SYS 3061 TIP3 H2 A 0.417000 1.0079 + 9184 SYS 3062 TIP3 O1 C -0.834000 15.9994 + 9185 SYS 3062 TIP3 H1 A 0.417000 1.0079 + 9186 SYS 3062 TIP3 H2 A 0.417000 1.0079 + 9187 SYS 3063 TIP3 O1 C -0.834000 15.9994 + 9188 SYS 3063 TIP3 H1 A 0.417000 1.0079 + 9189 SYS 3063 TIP3 H2 A 0.417000 1.0079 + 9190 SYS 3064 TIP3 O1 C -0.834000 15.9994 + 9191 SYS 3064 TIP3 H1 A 0.417000 1.0079 + 9192 SYS 3064 TIP3 H2 A 0.417000 1.0079 + 9193 SYS 3065 TIP3 O1 C -0.834000 15.9994 + 9194 SYS 3065 TIP3 H1 A 0.417000 1.0079 + 9195 SYS 3065 TIP3 H2 A 0.417000 1.0079 + 9196 SYS 3066 TIP3 O1 C -0.834000 15.9994 + 9197 SYS 3066 TIP3 H1 A 0.417000 1.0079 + 9198 SYS 3066 TIP3 H2 A 0.417000 1.0079 + 9199 SYS 3067 TIP3 O1 C -0.834000 15.9994 + 9200 SYS 3067 TIP3 H1 A 0.417000 1.0079 + 9201 SYS 3067 TIP3 H2 A 0.417000 1.0079 + 9202 SYS 3068 TIP3 O1 C -0.834000 15.9994 + 9203 SYS 3068 TIP3 H1 A 0.417000 1.0079 + 9204 SYS 3068 TIP3 H2 A 0.417000 1.0079 + 9205 SYS 3069 TIP3 O1 C -0.834000 15.9994 + 9206 SYS 3069 TIP3 H1 A 0.417000 1.0079 + 9207 SYS 3069 TIP3 H2 A 0.417000 1.0079 + 9208 SYS 3070 TIP3 O1 C -0.834000 15.9994 + 9209 SYS 3070 TIP3 H1 A 0.417000 1.0079 + 9210 SYS 3070 TIP3 H2 A 0.417000 1.0079 + 9211 SYS 3071 TIP3 O1 C -0.834000 15.9994 + 9212 SYS 3071 TIP3 H1 A 0.417000 1.0079 + 9213 SYS 3071 TIP3 H2 A 0.417000 1.0079 + 9214 SYS 3072 TIP3 O1 C -0.834000 15.9994 + 9215 SYS 3072 TIP3 H1 A 0.417000 1.0079 + 9216 SYS 3072 TIP3 H2 A 0.417000 1.0079 + 9217 SYS 3073 TIP3 O1 C -0.834000 15.9994 + 9218 SYS 3073 TIP3 H1 A 0.417000 1.0079 + 9219 SYS 3073 TIP3 H2 A 0.417000 1.0079 + 9220 SYS 3074 TIP3 O1 C -0.834000 15.9994 + 9221 SYS 3074 TIP3 H1 A 0.417000 1.0079 + 9222 SYS 3074 TIP3 H2 A 0.417000 1.0079 + 9223 SYS 3075 TIP3 O1 C -0.834000 15.9994 + 9224 SYS 3075 TIP3 H1 A 0.417000 1.0079 + 9225 SYS 3075 TIP3 H2 A 0.417000 1.0079 + 9226 SYS 3076 TIP3 O1 C -0.834000 15.9994 + 9227 SYS 3076 TIP3 H1 A 0.417000 1.0079 + 9228 SYS 3076 TIP3 H2 A 0.417000 1.0079 + 9229 SYS 3077 TIP3 O1 C -0.834000 15.9994 + 9230 SYS 3077 TIP3 H1 A 0.417000 1.0079 + 9231 SYS 3077 TIP3 H2 A 0.417000 1.0079 + 9232 SYS 3078 TIP3 O1 C -0.834000 15.9994 + 9233 SYS 3078 TIP3 H1 A 0.417000 1.0079 + 9234 SYS 3078 TIP3 H2 A 0.417000 1.0079 + 9235 SYS 3079 TIP3 O1 C -0.834000 15.9994 + 9236 SYS 3079 TIP3 H1 A 0.417000 1.0079 + 9237 SYS 3079 TIP3 H2 A 0.417000 1.0079 + 9238 SYS 3080 TIP3 O1 C -0.834000 15.9994 + 9239 SYS 3080 TIP3 H1 A 0.417000 1.0079 + 9240 SYS 3080 TIP3 H2 A 0.417000 1.0079 + 9241 SYS 3081 TIP3 O1 C -0.834000 15.9994 + 9242 SYS 3081 TIP3 H1 A 0.417000 1.0079 + 9243 SYS 3081 TIP3 H2 A 0.417000 1.0079 + 9244 SYS 3082 TIP3 O1 C -0.834000 15.9994 + 9245 SYS 3082 TIP3 H1 A 0.417000 1.0079 + 9246 SYS 3082 TIP3 H2 A 0.417000 1.0079 + 9247 SYS 3083 TIP3 O1 C -0.834000 15.9994 + 9248 SYS 3083 TIP3 H1 A 0.417000 1.0079 + 9249 SYS 3083 TIP3 H2 A 0.417000 1.0079 + 9250 SYS 3084 TIP3 O1 C -0.834000 15.9994 + 9251 SYS 3084 TIP3 H1 A 0.417000 1.0079 + 9252 SYS 3084 TIP3 H2 A 0.417000 1.0079 + 9253 SYS 3085 TIP3 O1 C -0.834000 15.9994 + 9254 SYS 3085 TIP3 H1 A 0.417000 1.0079 + 9255 SYS 3085 TIP3 H2 A 0.417000 1.0079 + 9256 SYS 3086 TIP3 O1 C -0.834000 15.9994 + 9257 SYS 3086 TIP3 H1 A 0.417000 1.0079 + 9258 SYS 3086 TIP3 H2 A 0.417000 1.0079 + 9259 SYS 3087 TIP3 O1 C -0.834000 15.9994 + 9260 SYS 3087 TIP3 H1 A 0.417000 1.0079 + 9261 SYS 3087 TIP3 H2 A 0.417000 1.0079 + 9262 SYS 3088 TIP3 O1 C -0.834000 15.9994 + 9263 SYS 3088 TIP3 H1 A 0.417000 1.0079 + 9264 SYS 3088 TIP3 H2 A 0.417000 1.0079 + 9265 SYS 3089 TIP3 O1 C -0.834000 15.9994 + 9266 SYS 3089 TIP3 H1 A 0.417000 1.0079 + 9267 SYS 3089 TIP3 H2 A 0.417000 1.0079 + 9268 SYS 3090 TIP3 O1 C -0.834000 15.9994 + 9269 SYS 3090 TIP3 H1 A 0.417000 1.0079 + 9270 SYS 3090 TIP3 H2 A 0.417000 1.0079 + 9271 SYS 3091 TIP3 O1 C -0.834000 15.9994 + 9272 SYS 3091 TIP3 H1 A 0.417000 1.0079 + 9273 SYS 3091 TIP3 H2 A 0.417000 1.0079 + 9274 SYS 3092 TIP3 O1 C -0.834000 15.9994 + 9275 SYS 3092 TIP3 H1 A 0.417000 1.0079 + 9276 SYS 3092 TIP3 H2 A 0.417000 1.0079 + 9277 SYS 3093 TIP3 O1 C -0.834000 15.9994 + 9278 SYS 3093 TIP3 H1 A 0.417000 1.0079 + 9279 SYS 3093 TIP3 H2 A 0.417000 1.0079 + 9280 SYS 3094 TIP3 O1 C -0.834000 15.9994 + 9281 SYS 3094 TIP3 H1 A 0.417000 1.0079 + 9282 SYS 3094 TIP3 H2 A 0.417000 1.0079 + 9283 SYS 3095 TIP3 O1 C -0.834000 15.9994 + 9284 SYS 3095 TIP3 H1 A 0.417000 1.0079 + 9285 SYS 3095 TIP3 H2 A 0.417000 1.0079 + 9286 SYS 3096 TIP3 O1 C -0.834000 15.9994 + 9287 SYS 3096 TIP3 H1 A 0.417000 1.0079 + 9288 SYS 3096 TIP3 H2 A 0.417000 1.0079 + 9289 SYS 3097 TIP3 O1 C -0.834000 15.9994 + 9290 SYS 3097 TIP3 H1 A 0.417000 1.0079 + 9291 SYS 3097 TIP3 H2 A 0.417000 1.0079 + 9292 SYS 3098 TIP3 O1 C -0.834000 15.9994 + 9293 SYS 3098 TIP3 H1 A 0.417000 1.0079 + 9294 SYS 3098 TIP3 H2 A 0.417000 1.0079 + 9295 SYS 3099 TIP3 O1 C -0.834000 15.9994 + 9296 SYS 3099 TIP3 H1 A 0.417000 1.0079 + 9297 SYS 3099 TIP3 H2 A 0.417000 1.0079 + 9298 SYS 3100 TIP3 O1 C -0.834000 15.9994 + 9299 SYS 3100 TIP3 H1 A 0.417000 1.0079 + 9300 SYS 3100 TIP3 H2 A 0.417000 1.0079 + 9301 SYS 3101 TIP3 O1 C -0.834000 15.9994 + 9302 SYS 3101 TIP3 H1 A 0.417000 1.0079 + 9303 SYS 3101 TIP3 H2 A 0.417000 1.0079 + 9304 SYS 3102 TIP3 O1 C -0.834000 15.9994 + 9305 SYS 3102 TIP3 H1 A 0.417000 1.0079 + 9306 SYS 3102 TIP3 H2 A 0.417000 1.0079 + 9307 SYS 3103 TIP3 O1 C -0.834000 15.9994 + 9308 SYS 3103 TIP3 H1 A 0.417000 1.0079 + 9309 SYS 3103 TIP3 H2 A 0.417000 1.0079 + 9310 SYS 3104 TIP3 O1 C -0.834000 15.9994 + 9311 SYS 3104 TIP3 H1 A 0.417000 1.0079 + 9312 SYS 3104 TIP3 H2 A 0.417000 1.0079 + 9313 SYS 3105 TIP3 O1 C -0.834000 15.9994 + 9314 SYS 3105 TIP3 H1 A 0.417000 1.0079 + 9315 SYS 3105 TIP3 H2 A 0.417000 1.0079 + 9316 SYS 3106 TIP3 O1 C -0.834000 15.9994 + 9317 SYS 3106 TIP3 H1 A 0.417000 1.0079 + 9318 SYS 3106 TIP3 H2 A 0.417000 1.0079 + 9319 SYS 3107 TIP3 O1 C -0.834000 15.9994 + 9320 SYS 3107 TIP3 H1 A 0.417000 1.0079 + 9321 SYS 3107 TIP3 H2 A 0.417000 1.0079 + 9322 SYS 3108 TIP3 O1 C -0.834000 15.9994 + 9323 SYS 3108 TIP3 H1 A 0.417000 1.0079 + 9324 SYS 3108 TIP3 H2 A 0.417000 1.0079 + 9325 SYS 3109 TIP3 O1 C -0.834000 15.9994 + 9326 SYS 3109 TIP3 H1 A 0.417000 1.0079 + 9327 SYS 3109 TIP3 H2 A 0.417000 1.0079 + 9328 SYS 3110 TIP3 O1 C -0.834000 15.9994 + 9329 SYS 3110 TIP3 H1 A 0.417000 1.0079 + 9330 SYS 3110 TIP3 H2 A 0.417000 1.0079 + 9331 SYS 3111 TIP3 O1 C -0.834000 15.9994 + 9332 SYS 3111 TIP3 H1 A 0.417000 1.0079 + 9333 SYS 3111 TIP3 H2 A 0.417000 1.0079 + 9334 SYS 3112 TIP3 O1 C -0.834000 15.9994 + 9335 SYS 3112 TIP3 H1 A 0.417000 1.0079 + 9336 SYS 3112 TIP3 H2 A 0.417000 1.0079 + 9337 SYS 3113 TIP3 O1 C -0.834000 15.9994 + 9338 SYS 3113 TIP3 H1 A 0.417000 1.0079 + 9339 SYS 3113 TIP3 H2 A 0.417000 1.0079 + 9340 SYS 3114 TIP3 O1 C -0.834000 15.9994 + 9341 SYS 3114 TIP3 H1 A 0.417000 1.0079 + 9342 SYS 3114 TIP3 H2 A 0.417000 1.0079 + 9343 SYS 3115 TIP3 O1 C -0.834000 15.9994 + 9344 SYS 3115 TIP3 H1 A 0.417000 1.0079 + 9345 SYS 3115 TIP3 H2 A 0.417000 1.0079 + 9346 SYS 3116 TIP3 O1 C -0.834000 15.9994 + 9347 SYS 3116 TIP3 H1 A 0.417000 1.0079 + 9348 SYS 3116 TIP3 H2 A 0.417000 1.0079 + 9349 SYS 3117 TIP3 O1 C -0.834000 15.9994 + 9350 SYS 3117 TIP3 H1 A 0.417000 1.0079 + 9351 SYS 3117 TIP3 H2 A 0.417000 1.0079 + 9352 SYS 3118 TIP3 O1 C -0.834000 15.9994 + 9353 SYS 3118 TIP3 H1 A 0.417000 1.0079 + 9354 SYS 3118 TIP3 H2 A 0.417000 1.0079 + 9355 SYS 3119 TIP3 O1 C -0.834000 15.9994 + 9356 SYS 3119 TIP3 H1 A 0.417000 1.0079 + 9357 SYS 3119 TIP3 H2 A 0.417000 1.0079 + 9358 SYS 3120 TIP3 O1 C -0.834000 15.9994 + 9359 SYS 3120 TIP3 H1 A 0.417000 1.0079 + 9360 SYS 3120 TIP3 H2 A 0.417000 1.0079 + 9361 SYS 3121 TIP3 O1 C -0.834000 15.9994 + 9362 SYS 3121 TIP3 H1 A 0.417000 1.0079 + 9363 SYS 3121 TIP3 H2 A 0.417000 1.0079 + 9364 SYS 3122 TIP3 O1 C -0.834000 15.9994 + 9365 SYS 3122 TIP3 H1 A 0.417000 1.0079 + 9366 SYS 3122 TIP3 H2 A 0.417000 1.0079 + 9367 SYS 3123 TIP3 O1 C -0.834000 15.9994 + 9368 SYS 3123 TIP3 H1 A 0.417000 1.0079 + 9369 SYS 3123 TIP3 H2 A 0.417000 1.0079 + 9370 SYS 3124 TIP3 O1 C -0.834000 15.9994 + 9371 SYS 3124 TIP3 H1 A 0.417000 1.0079 + 9372 SYS 3124 TIP3 H2 A 0.417000 1.0079 + 9373 SYS 3125 TIP3 O1 C -0.834000 15.9994 + 9374 SYS 3125 TIP3 H1 A 0.417000 1.0079 + 9375 SYS 3125 TIP3 H2 A 0.417000 1.0079 + 9376 SYS 3126 TIP3 O1 C -0.834000 15.9994 + 9377 SYS 3126 TIP3 H1 A 0.417000 1.0079 + 9378 SYS 3126 TIP3 H2 A 0.417000 1.0079 + 9379 SYS 3127 TIP3 O1 C -0.834000 15.9994 + 9380 SYS 3127 TIP3 H1 A 0.417000 1.0079 + 9381 SYS 3127 TIP3 H2 A 0.417000 1.0079 + 9382 SYS 3128 TIP3 O1 C -0.834000 15.9994 + 9383 SYS 3128 TIP3 H1 A 0.417000 1.0079 + 9384 SYS 3128 TIP3 H2 A 0.417000 1.0079 + 9385 SYS 3129 TIP3 O1 C -0.834000 15.9994 + 9386 SYS 3129 TIP3 H1 A 0.417000 1.0079 + 9387 SYS 3129 TIP3 H2 A 0.417000 1.0079 + 9388 SYS 3130 TIP3 O1 C -0.834000 15.9994 + 9389 SYS 3130 TIP3 H1 A 0.417000 1.0079 + 9390 SYS 3130 TIP3 H2 A 0.417000 1.0079 + 9391 SYS 3131 TIP3 O1 C -0.834000 15.9994 + 9392 SYS 3131 TIP3 H1 A 0.417000 1.0079 + 9393 SYS 3131 TIP3 H2 A 0.417000 1.0079 + 9394 SYS 3132 TIP3 O1 C -0.834000 15.9994 + 9395 SYS 3132 TIP3 H1 A 0.417000 1.0079 + 9396 SYS 3132 TIP3 H2 A 0.417000 1.0079 + 9397 SYS 3133 TIP3 O1 C -0.834000 15.9994 + 9398 SYS 3133 TIP3 H1 A 0.417000 1.0079 + 9399 SYS 3133 TIP3 H2 A 0.417000 1.0079 + 9400 SYS 3134 TIP3 O1 C -0.834000 15.9994 + 9401 SYS 3134 TIP3 H1 A 0.417000 1.0079 + 9402 SYS 3134 TIP3 H2 A 0.417000 1.0079 + 9403 SYS 3135 TIP3 O1 C -0.834000 15.9994 + 9404 SYS 3135 TIP3 H1 A 0.417000 1.0079 + 9405 SYS 3135 TIP3 H2 A 0.417000 1.0079 + 9406 SYS 3136 TIP3 O1 C -0.834000 15.9994 + 9407 SYS 3136 TIP3 H1 A 0.417000 1.0079 + 9408 SYS 3136 TIP3 H2 A 0.417000 1.0079 + 9409 SYS 3137 TIP3 O1 C -0.834000 15.9994 + 9410 SYS 3137 TIP3 H1 A 0.417000 1.0079 + 9411 SYS 3137 TIP3 H2 A 0.417000 1.0079 + 9412 SYS 3138 TIP3 O1 C -0.834000 15.9994 + 9413 SYS 3138 TIP3 H1 A 0.417000 1.0079 + 9414 SYS 3138 TIP3 H2 A 0.417000 1.0079 + 9415 SYS 3139 TIP3 O1 C -0.834000 15.9994 + 9416 SYS 3139 TIP3 H1 A 0.417000 1.0079 + 9417 SYS 3139 TIP3 H2 A 0.417000 1.0079 + 9418 SYS 3140 TIP3 O1 C -0.834000 15.9994 + 9419 SYS 3140 TIP3 H1 A 0.417000 1.0079 + 9420 SYS 3140 TIP3 H2 A 0.417000 1.0079 + 9421 SYS 3141 TIP3 O1 C -0.834000 15.9994 + 9422 SYS 3141 TIP3 H1 A 0.417000 1.0079 + 9423 SYS 3141 TIP3 H2 A 0.417000 1.0079 + 9424 SYS 3142 TIP3 O1 C -0.834000 15.9994 + 9425 SYS 3142 TIP3 H1 A 0.417000 1.0079 + 9426 SYS 3142 TIP3 H2 A 0.417000 1.0079 + 9427 SYS 3143 TIP3 O1 C -0.834000 15.9994 + 9428 SYS 3143 TIP3 H1 A 0.417000 1.0079 + 9429 SYS 3143 TIP3 H2 A 0.417000 1.0079 + 9430 SYS 3144 TIP3 O1 C -0.834000 15.9994 + 9431 SYS 3144 TIP3 H1 A 0.417000 1.0079 + 9432 SYS 3144 TIP3 H2 A 0.417000 1.0079 + 9433 SYS 3145 TIP3 O1 C -0.834000 15.9994 + 9434 SYS 3145 TIP3 H1 A 0.417000 1.0079 + 9435 SYS 3145 TIP3 H2 A 0.417000 1.0079 + 9436 SYS 3146 TIP3 O1 C -0.834000 15.9994 + 9437 SYS 3146 TIP3 H1 A 0.417000 1.0079 + 9438 SYS 3146 TIP3 H2 A 0.417000 1.0079 + 9439 SYS 3147 TIP3 O1 C -0.834000 15.9994 + 9440 SYS 3147 TIP3 H1 A 0.417000 1.0079 + 9441 SYS 3147 TIP3 H2 A 0.417000 1.0079 + 9442 SYS 3148 TIP3 O1 C -0.834000 15.9994 + 9443 SYS 3148 TIP3 H1 A 0.417000 1.0079 + 9444 SYS 3148 TIP3 H2 A 0.417000 1.0079 + 9445 SYS 3149 TIP3 O1 C -0.834000 15.9994 + 9446 SYS 3149 TIP3 H1 A 0.417000 1.0079 + 9447 SYS 3149 TIP3 H2 A 0.417000 1.0079 + 9448 SYS 3150 TIP3 O1 C -0.834000 15.9994 + 9449 SYS 3150 TIP3 H1 A 0.417000 1.0079 + 9450 SYS 3150 TIP3 H2 A 0.417000 1.0079 + 9451 SYS 3151 TIP3 O1 C -0.834000 15.9994 + 9452 SYS 3151 TIP3 H1 A 0.417000 1.0079 + 9453 SYS 3151 TIP3 H2 A 0.417000 1.0079 + 9454 SYS 3152 TIP3 O1 C -0.834000 15.9994 + 9455 SYS 3152 TIP3 H1 A 0.417000 1.0079 + 9456 SYS 3152 TIP3 H2 A 0.417000 1.0079 + 9457 SYS 3153 TIP3 O1 C -0.834000 15.9994 + 9458 SYS 3153 TIP3 H1 A 0.417000 1.0079 + 9459 SYS 3153 TIP3 H2 A 0.417000 1.0079 + 9460 SYS 3154 TIP3 O1 C -0.834000 15.9994 + 9461 SYS 3154 TIP3 H1 A 0.417000 1.0079 + 9462 SYS 3154 TIP3 H2 A 0.417000 1.0079 + 9463 SYS 3155 TIP3 O1 C -0.834000 15.9994 + 9464 SYS 3155 TIP3 H1 A 0.417000 1.0079 + 9465 SYS 3155 TIP3 H2 A 0.417000 1.0079 + 9466 SYS 3156 TIP3 O1 C -0.834000 15.9994 + 9467 SYS 3156 TIP3 H1 A 0.417000 1.0079 + 9468 SYS 3156 TIP3 H2 A 0.417000 1.0079 + 9469 SYS 3157 TIP3 O1 C -0.834000 15.9994 + 9470 SYS 3157 TIP3 H1 A 0.417000 1.0079 + 9471 SYS 3157 TIP3 H2 A 0.417000 1.0079 + 9472 SYS 3158 TIP3 O1 C -0.834000 15.9994 + 9473 SYS 3158 TIP3 H1 A 0.417000 1.0079 + 9474 SYS 3158 TIP3 H2 A 0.417000 1.0079 + 9475 SYS 3159 TIP3 O1 C -0.834000 15.9994 + 9476 SYS 3159 TIP3 H1 A 0.417000 1.0079 + 9477 SYS 3159 TIP3 H2 A 0.417000 1.0079 + 9478 SYS 3160 TIP3 O1 C -0.834000 15.9994 + 9479 SYS 3160 TIP3 H1 A 0.417000 1.0079 + 9480 SYS 3160 TIP3 H2 A 0.417000 1.0079 + 9481 SYS 3161 TIP3 O1 C -0.834000 15.9994 + 9482 SYS 3161 TIP3 H1 A 0.417000 1.0079 + 9483 SYS 3161 TIP3 H2 A 0.417000 1.0079 + 9484 SYS 3162 TIP3 O1 C -0.834000 15.9994 + 9485 SYS 3162 TIP3 H1 A 0.417000 1.0079 + 9486 SYS 3162 TIP3 H2 A 0.417000 1.0079 + 9487 SYS 3163 TIP3 O1 C -0.834000 15.9994 + 9488 SYS 3163 TIP3 H1 A 0.417000 1.0079 + 9489 SYS 3163 TIP3 H2 A 0.417000 1.0079 + 9490 SYS 3164 TIP3 O1 C -0.834000 15.9994 + 9491 SYS 3164 TIP3 H1 A 0.417000 1.0079 + 9492 SYS 3164 TIP3 H2 A 0.417000 1.0079 + 9493 SYS 3165 TIP3 O1 C -0.834000 15.9994 + 9494 SYS 3165 TIP3 H1 A 0.417000 1.0079 + 9495 SYS 3165 TIP3 H2 A 0.417000 1.0079 + 9496 SYS 3166 TIP3 O1 C -0.834000 15.9994 + 9497 SYS 3166 TIP3 H1 A 0.417000 1.0079 + 9498 SYS 3166 TIP3 H2 A 0.417000 1.0079 + 9499 SYS 3167 TIP3 O1 C -0.834000 15.9994 + 9500 SYS 3167 TIP3 H1 A 0.417000 1.0079 + 9501 SYS 3167 TIP3 H2 A 0.417000 1.0079 + 9502 SYS 3168 TIP3 O1 C -0.834000 15.9994 + 9503 SYS 3168 TIP3 H1 A 0.417000 1.0079 + 9504 SYS 3168 TIP3 H2 A 0.417000 1.0079 + 9505 SYS 3169 TIP3 O1 C -0.834000 15.9994 + 9506 SYS 3169 TIP3 H1 A 0.417000 1.0079 + 9507 SYS 3169 TIP3 H2 A 0.417000 1.0079 + 9508 SYS 3170 TIP3 O1 C -0.834000 15.9994 + 9509 SYS 3170 TIP3 H1 A 0.417000 1.0079 + 9510 SYS 3170 TIP3 H2 A 0.417000 1.0079 + 9511 SYS 3171 TIP3 O1 C -0.834000 15.9994 + 9512 SYS 3171 TIP3 H1 A 0.417000 1.0079 + 9513 SYS 3171 TIP3 H2 A 0.417000 1.0079 + 9514 SYS 3172 TIP3 O1 C -0.834000 15.9994 + 9515 SYS 3172 TIP3 H1 A 0.417000 1.0079 + 9516 SYS 3172 TIP3 H2 A 0.417000 1.0079 + 9517 SYS 3173 TIP3 O1 C -0.834000 15.9994 + 9518 SYS 3173 TIP3 H1 A 0.417000 1.0079 + 9519 SYS 3173 TIP3 H2 A 0.417000 1.0079 + 9520 SYS 3174 TIP3 O1 C -0.834000 15.9994 + 9521 SYS 3174 TIP3 H1 A 0.417000 1.0079 + 9522 SYS 3174 TIP3 H2 A 0.417000 1.0079 + 9523 SYS 3175 TIP3 O1 C -0.834000 15.9994 + 9524 SYS 3175 TIP3 H1 A 0.417000 1.0079 + 9525 SYS 3175 TIP3 H2 A 0.417000 1.0079 + 9526 SYS 3176 TIP3 O1 C -0.834000 15.9994 + 9527 SYS 3176 TIP3 H1 A 0.417000 1.0079 + 9528 SYS 3176 TIP3 H2 A 0.417000 1.0079 + 9529 SYS 3177 TIP3 O1 C -0.834000 15.9994 + 9530 SYS 3177 TIP3 H1 A 0.417000 1.0079 + 9531 SYS 3177 TIP3 H2 A 0.417000 1.0079 + 9532 SYS 3178 TIP3 O1 C -0.834000 15.9994 + 9533 SYS 3178 TIP3 H1 A 0.417000 1.0079 + 9534 SYS 3178 TIP3 H2 A 0.417000 1.0079 + 9535 SYS 3179 TIP3 O1 C -0.834000 15.9994 + 9536 SYS 3179 TIP3 H1 A 0.417000 1.0079 + 9537 SYS 3179 TIP3 H2 A 0.417000 1.0079 + 9538 SYS 3180 TIP3 O1 C -0.834000 15.9994 + 9539 SYS 3180 TIP3 H1 A 0.417000 1.0079 + 9540 SYS 3180 TIP3 H2 A 0.417000 1.0079 + 9541 SYS 3181 TIP3 O1 C -0.834000 15.9994 + 9542 SYS 3181 TIP3 H1 A 0.417000 1.0079 + 9543 SYS 3181 TIP3 H2 A 0.417000 1.0079 + 9544 SYS 3182 TIP3 O1 C -0.834000 15.9994 + 9545 SYS 3182 TIP3 H1 A 0.417000 1.0079 + 9546 SYS 3182 TIP3 H2 A 0.417000 1.0079 + 9547 SYS 3183 TIP3 O1 C -0.834000 15.9994 + 9548 SYS 3183 TIP3 H1 A 0.417000 1.0079 + 9549 SYS 3183 TIP3 H2 A 0.417000 1.0079 + 9550 SYS 3184 TIP3 O1 C -0.834000 15.9994 + 9551 SYS 3184 TIP3 H1 A 0.417000 1.0079 + 9552 SYS 3184 TIP3 H2 A 0.417000 1.0079 + 9553 SYS 3185 TIP3 O1 C -0.834000 15.9994 + 9554 SYS 3185 TIP3 H1 A 0.417000 1.0079 + 9555 SYS 3185 TIP3 H2 A 0.417000 1.0079 + 9556 SYS 3186 TIP3 O1 C -0.834000 15.9994 + 9557 SYS 3186 TIP3 H1 A 0.417000 1.0079 + 9558 SYS 3186 TIP3 H2 A 0.417000 1.0079 + 9559 SYS 3187 TIP3 O1 C -0.834000 15.9994 + 9560 SYS 3187 TIP3 H1 A 0.417000 1.0079 + 9561 SYS 3187 TIP3 H2 A 0.417000 1.0079 + 9562 SYS 3188 TIP3 O1 C -0.834000 15.9994 + 9563 SYS 3188 TIP3 H1 A 0.417000 1.0079 + 9564 SYS 3188 TIP3 H2 A 0.417000 1.0079 + 9565 SYS 3189 TIP3 O1 C -0.834000 15.9994 + 9566 SYS 3189 TIP3 H1 A 0.417000 1.0079 + 9567 SYS 3189 TIP3 H2 A 0.417000 1.0079 + 9568 SYS 3190 TIP3 O1 C -0.834000 15.9994 + 9569 SYS 3190 TIP3 H1 A 0.417000 1.0079 + 9570 SYS 3190 TIP3 H2 A 0.417000 1.0079 + 9571 SYS 3191 TIP3 O1 C -0.834000 15.9994 + 9572 SYS 3191 TIP3 H1 A 0.417000 1.0079 + 9573 SYS 3191 TIP3 H2 A 0.417000 1.0079 + 9574 SYS 3192 TIP3 O1 C -0.834000 15.9994 + 9575 SYS 3192 TIP3 H1 A 0.417000 1.0079 + 9576 SYS 3192 TIP3 H2 A 0.417000 1.0079 + 9577 SYS 3193 TIP3 O1 C -0.834000 15.9994 + 9578 SYS 3193 TIP3 H1 A 0.417000 1.0079 + 9579 SYS 3193 TIP3 H2 A 0.417000 1.0079 + 9580 SYS 3194 TIP3 O1 C -0.834000 15.9994 + 9581 SYS 3194 TIP3 H1 A 0.417000 1.0079 + 9582 SYS 3194 TIP3 H2 A 0.417000 1.0079 + 9583 SYS 3195 TIP3 O1 C -0.834000 15.9994 + 9584 SYS 3195 TIP3 H1 A 0.417000 1.0079 + 9585 SYS 3195 TIP3 H2 A 0.417000 1.0079 + 9586 SYS 3196 TIP3 O1 C -0.834000 15.9994 + 9587 SYS 3196 TIP3 H1 A 0.417000 1.0079 + 9588 SYS 3196 TIP3 H2 A 0.417000 1.0079 + 9589 SYS 3197 TIP3 O1 C -0.834000 15.9994 + 9590 SYS 3197 TIP3 H1 A 0.417000 1.0079 + 9591 SYS 3197 TIP3 H2 A 0.417000 1.0079 + 9592 SYS 3198 TIP3 O1 C -0.834000 15.9994 + 9593 SYS 3198 TIP3 H1 A 0.417000 1.0079 + 9594 SYS 3198 TIP3 H2 A 0.417000 1.0079 + 9595 SYS 3199 TIP3 O1 C -0.834000 15.9994 + 9596 SYS 3199 TIP3 H1 A 0.417000 1.0079 + 9597 SYS 3199 TIP3 H2 A 0.417000 1.0079 + 9598 SYS 3200 TIP3 O1 C -0.834000 15.9994 + 9599 SYS 3200 TIP3 H1 A 0.417000 1.0079 + 9600 SYS 3200 TIP3 H2 A 0.417000 1.0079 + 9601 SYS 3201 TIP3 O1 C -0.834000 15.9994 + 9602 SYS 3201 TIP3 H1 A 0.417000 1.0079 + 9603 SYS 3201 TIP3 H2 A 0.417000 1.0079 + 9604 SYS 3202 TIP3 O1 C -0.834000 15.9994 + 9605 SYS 3202 TIP3 H1 A 0.417000 1.0079 + 9606 SYS 3202 TIP3 H2 A 0.417000 1.0079 + 9607 SYS 3203 TIP3 O1 C -0.834000 15.9994 + 9608 SYS 3203 TIP3 H1 A 0.417000 1.0079 + 9609 SYS 3203 TIP3 H2 A 0.417000 1.0079 + 9610 SYS 3204 TIP3 O1 C -0.834000 15.9994 + 9611 SYS 3204 TIP3 H1 A 0.417000 1.0079 + 9612 SYS 3204 TIP3 H2 A 0.417000 1.0079 + 9613 SYS 3205 TIP3 O1 C -0.834000 15.9994 + 9614 SYS 3205 TIP3 H1 A 0.417000 1.0079 + 9615 SYS 3205 TIP3 H2 A 0.417000 1.0079 + 9616 SYS 3206 TIP3 O1 C -0.834000 15.9994 + 9617 SYS 3206 TIP3 H1 A 0.417000 1.0079 + 9618 SYS 3206 TIP3 H2 A 0.417000 1.0079 + 9619 SYS 3207 TIP3 O1 C -0.834000 15.9994 + 9620 SYS 3207 TIP3 H1 A 0.417000 1.0079 + 9621 SYS 3207 TIP3 H2 A 0.417000 1.0079 + 9622 SYS 3208 TIP3 O1 C -0.834000 15.9994 + 9623 SYS 3208 TIP3 H1 A 0.417000 1.0079 + 9624 SYS 3208 TIP3 H2 A 0.417000 1.0079 + 9625 SYS 3209 TIP3 O1 C -0.834000 15.9994 + 9626 SYS 3209 TIP3 H1 A 0.417000 1.0079 + 9627 SYS 3209 TIP3 H2 A 0.417000 1.0079 + 9628 SYS 3210 TIP3 O1 C -0.834000 15.9994 + 9629 SYS 3210 TIP3 H1 A 0.417000 1.0079 + 9630 SYS 3210 TIP3 H2 A 0.417000 1.0079 + 9631 SYS 3211 TIP3 O1 C -0.834000 15.9994 + 9632 SYS 3211 TIP3 H1 A 0.417000 1.0079 + 9633 SYS 3211 TIP3 H2 A 0.417000 1.0079 + 9634 SYS 3212 TIP3 O1 C -0.834000 15.9994 + 9635 SYS 3212 TIP3 H1 A 0.417000 1.0079 + 9636 SYS 3212 TIP3 H2 A 0.417000 1.0079 + 9637 SYS 3213 TIP3 O1 C -0.834000 15.9994 + 9638 SYS 3213 TIP3 H1 A 0.417000 1.0079 + 9639 SYS 3213 TIP3 H2 A 0.417000 1.0079 + 9640 SYS 3214 TIP3 O1 C -0.834000 15.9994 + 9641 SYS 3214 TIP3 H1 A 0.417000 1.0079 + 9642 SYS 3214 TIP3 H2 A 0.417000 1.0079 + 9643 SYS 3215 TIP3 O1 C -0.834000 15.9994 + 9644 SYS 3215 TIP3 H1 A 0.417000 1.0079 + 9645 SYS 3215 TIP3 H2 A 0.417000 1.0079 + 9646 SYS 3216 TIP3 O1 C -0.834000 15.9994 + 9647 SYS 3216 TIP3 H1 A 0.417000 1.0079 + 9648 SYS 3216 TIP3 H2 A 0.417000 1.0079 + 9649 SYS 3217 TIP3 O1 C -0.834000 15.9994 + 9650 SYS 3217 TIP3 H1 A 0.417000 1.0079 + 9651 SYS 3217 TIP3 H2 A 0.417000 1.0079 + 9652 SYS 3218 TIP3 O1 C -0.834000 15.9994 + 9653 SYS 3218 TIP3 H1 A 0.417000 1.0079 + 9654 SYS 3218 TIP3 H2 A 0.417000 1.0079 + 9655 SYS 3219 TIP3 O1 C -0.834000 15.9994 + 9656 SYS 3219 TIP3 H1 A 0.417000 1.0079 + 9657 SYS 3219 TIP3 H2 A 0.417000 1.0079 + 9658 SYS 3220 TIP3 O1 C -0.834000 15.9994 + 9659 SYS 3220 TIP3 H1 A 0.417000 1.0079 + 9660 SYS 3220 TIP3 H2 A 0.417000 1.0079 + 9661 SYS 3221 TIP3 O1 C -0.834000 15.9994 + 9662 SYS 3221 TIP3 H1 A 0.417000 1.0079 + 9663 SYS 3221 TIP3 H2 A 0.417000 1.0079 + 9664 SYS 3222 TIP3 O1 C -0.834000 15.9994 + 9665 SYS 3222 TIP3 H1 A 0.417000 1.0079 + 9666 SYS 3222 TIP3 H2 A 0.417000 1.0079 + 9667 SYS 3223 TIP3 O1 C -0.834000 15.9994 + 9668 SYS 3223 TIP3 H1 A 0.417000 1.0079 + 9669 SYS 3223 TIP3 H2 A 0.417000 1.0079 + 9670 SYS 3224 TIP3 O1 C -0.834000 15.9994 + 9671 SYS 3224 TIP3 H1 A 0.417000 1.0079 + 9672 SYS 3224 TIP3 H2 A 0.417000 1.0079 + 9673 SYS 3225 TIP3 O1 C -0.834000 15.9994 + 9674 SYS 3225 TIP3 H1 A 0.417000 1.0079 + 9675 SYS 3225 TIP3 H2 A 0.417000 1.0079 + 9676 SYS 3226 TIP3 O1 C -0.834000 15.9994 + 9677 SYS 3226 TIP3 H1 A 0.417000 1.0079 + 9678 SYS 3226 TIP3 H2 A 0.417000 1.0079 + 9679 SYS 3227 TIP3 O1 C -0.834000 15.9994 + 9680 SYS 3227 TIP3 H1 A 0.417000 1.0079 + 9681 SYS 3227 TIP3 H2 A 0.417000 1.0079 + 9682 SYS 3228 TIP3 O1 C -0.834000 15.9994 + 9683 SYS 3228 TIP3 H1 A 0.417000 1.0079 + 9684 SYS 3228 TIP3 H2 A 0.417000 1.0079 + 9685 SYS 3229 TIP3 O1 C -0.834000 15.9994 + 9686 SYS 3229 TIP3 H1 A 0.417000 1.0079 + 9687 SYS 3229 TIP3 H2 A 0.417000 1.0079 + 9688 SYS 3230 TIP3 O1 C -0.834000 15.9994 + 9689 SYS 3230 TIP3 H1 A 0.417000 1.0079 + 9690 SYS 3230 TIP3 H2 A 0.417000 1.0079 + 9691 SYS 3231 TIP3 O1 C -0.834000 15.9994 + 9692 SYS 3231 TIP3 H1 A 0.417000 1.0079 + 9693 SYS 3231 TIP3 H2 A 0.417000 1.0079 + 9694 SYS 3232 TIP3 O1 C -0.834000 15.9994 + 9695 SYS 3232 TIP3 H1 A 0.417000 1.0079 + 9696 SYS 3232 TIP3 H2 A 0.417000 1.0079 + 9697 SYS 3233 TIP3 O1 C -0.834000 15.9994 + 9698 SYS 3233 TIP3 H1 A 0.417000 1.0079 + 9699 SYS 3233 TIP3 H2 A 0.417000 1.0079 + 9700 SYS 3234 TIP3 O1 C -0.834000 15.9994 + 9701 SYS 3234 TIP3 H1 A 0.417000 1.0079 + 9702 SYS 3234 TIP3 H2 A 0.417000 1.0079 + 9703 SYS 3235 TIP3 O1 C -0.834000 15.9994 + 9704 SYS 3235 TIP3 H1 A 0.417000 1.0079 + 9705 SYS 3235 TIP3 H2 A 0.417000 1.0079 + 9706 SYS 3236 TIP3 O1 C -0.834000 15.9994 + 9707 SYS 3236 TIP3 H1 A 0.417000 1.0079 + 9708 SYS 3236 TIP3 H2 A 0.417000 1.0079 + 9709 SYS 3237 TIP3 O1 C -0.834000 15.9994 + 9710 SYS 3237 TIP3 H1 A 0.417000 1.0079 + 9711 SYS 3237 TIP3 H2 A 0.417000 1.0079 + 9712 SYS 3238 TIP3 O1 C -0.834000 15.9994 + 9713 SYS 3238 TIP3 H1 A 0.417000 1.0079 + 9714 SYS 3238 TIP3 H2 A 0.417000 1.0079 + 9715 SYS 3239 TIP3 O1 C -0.834000 15.9994 + 9716 SYS 3239 TIP3 H1 A 0.417000 1.0079 + 9717 SYS 3239 TIP3 H2 A 0.417000 1.0079 + 9718 SYS 3240 TIP3 O1 C -0.834000 15.9994 + 9719 SYS 3240 TIP3 H1 A 0.417000 1.0079 + 9720 SYS 3240 TIP3 H2 A 0.417000 1.0079 + 9721 SYS 3241 TIP3 O1 C -0.834000 15.9994 + 9722 SYS 3241 TIP3 H1 A 0.417000 1.0079 + 9723 SYS 3241 TIP3 H2 A 0.417000 1.0079 + 9724 SYS 3242 TIP3 O1 C -0.834000 15.9994 + 9725 SYS 3242 TIP3 H1 A 0.417000 1.0079 + 9726 SYS 3242 TIP3 H2 A 0.417000 1.0079 + 9727 SYS 3243 TIP3 O1 C -0.834000 15.9994 + 9728 SYS 3243 TIP3 H1 A 0.417000 1.0079 + 9729 SYS 3243 TIP3 H2 A 0.417000 1.0079 + 9730 SYS 3244 TIP3 O1 C -0.834000 15.9994 + 9731 SYS 3244 TIP3 H1 A 0.417000 1.0079 + 9732 SYS 3244 TIP3 H2 A 0.417000 1.0079 + 9733 SYS 3245 TIP3 O1 C -0.834000 15.9994 + 9734 SYS 3245 TIP3 H1 A 0.417000 1.0079 + 9735 SYS 3245 TIP3 H2 A 0.417000 1.0079 + 9736 SYS 3246 TIP3 O1 C -0.834000 15.9994 + 9737 SYS 3246 TIP3 H1 A 0.417000 1.0079 + 9738 SYS 3246 TIP3 H2 A 0.417000 1.0079 + 9739 SYS 3247 TIP3 O1 C -0.834000 15.9994 + 9740 SYS 3247 TIP3 H1 A 0.417000 1.0079 + 9741 SYS 3247 TIP3 H2 A 0.417000 1.0079 + 9742 SYS 3248 TIP3 O1 C -0.834000 15.9994 + 9743 SYS 3248 TIP3 H1 A 0.417000 1.0079 + 9744 SYS 3248 TIP3 H2 A 0.417000 1.0079 + 9745 SYS 3249 TIP3 O1 C -0.834000 15.9994 + 9746 SYS 3249 TIP3 H1 A 0.417000 1.0079 + 9747 SYS 3249 TIP3 H2 A 0.417000 1.0079 + 9748 SYS 3250 TIP3 O1 C -0.834000 15.9994 + 9749 SYS 3250 TIP3 H1 A 0.417000 1.0079 + 9750 SYS 3250 TIP3 H2 A 0.417000 1.0079 + 9751 SYS 3251 TIP3 O1 C -0.834000 15.9994 + 9752 SYS 3251 TIP3 H1 A 0.417000 1.0079 + 9753 SYS 3251 TIP3 H2 A 0.417000 1.0079 + 9754 SYS 3252 TIP3 O1 C -0.834000 15.9994 + 9755 SYS 3252 TIP3 H1 A 0.417000 1.0079 + 9756 SYS 3252 TIP3 H2 A 0.417000 1.0079 + 9757 SYS 3253 TIP3 O1 C -0.834000 15.9994 + 9758 SYS 3253 TIP3 H1 A 0.417000 1.0079 + 9759 SYS 3253 TIP3 H2 A 0.417000 1.0079 + 9760 SYS 3254 TIP3 O1 C -0.834000 15.9994 + 9761 SYS 3254 TIP3 H1 A 0.417000 1.0079 + 9762 SYS 3254 TIP3 H2 A 0.417000 1.0079 + 9763 SYS 3255 TIP3 O1 C -0.834000 15.9994 + 9764 SYS 3255 TIP3 H1 A 0.417000 1.0079 + 9765 SYS 3255 TIP3 H2 A 0.417000 1.0079 + 9766 SYS 3256 TIP3 O1 C -0.834000 15.9994 + 9767 SYS 3256 TIP3 H1 A 0.417000 1.0079 + 9768 SYS 3256 TIP3 H2 A 0.417000 1.0079 + 9769 SYS 3257 TIP3 O1 C -0.834000 15.9994 + 9770 SYS 3257 TIP3 H1 A 0.417000 1.0079 + 9771 SYS 3257 TIP3 H2 A 0.417000 1.0079 + 9772 SYS 3258 TIP3 O1 C -0.834000 15.9994 + 9773 SYS 3258 TIP3 H1 A 0.417000 1.0079 + 9774 SYS 3258 TIP3 H2 A 0.417000 1.0079 + 9775 SYS 3259 TIP3 O1 C -0.834000 15.9994 + 9776 SYS 3259 TIP3 H1 A 0.417000 1.0079 + 9777 SYS 3259 TIP3 H2 A 0.417000 1.0079 + 9778 SYS 3260 TIP3 O1 C -0.834000 15.9994 + 9779 SYS 3260 TIP3 H1 A 0.417000 1.0079 + 9780 SYS 3260 TIP3 H2 A 0.417000 1.0079 + 9781 SYS 3261 TIP3 O1 C -0.834000 15.9994 + 9782 SYS 3261 TIP3 H1 A 0.417000 1.0079 + 9783 SYS 3261 TIP3 H2 A 0.417000 1.0079 + 9784 SYS 3262 TIP3 O1 C -0.834000 15.9994 + 9785 SYS 3262 TIP3 H1 A 0.417000 1.0079 + 9786 SYS 3262 TIP3 H2 A 0.417000 1.0079 + 9787 SYS 3263 TIP3 O1 C -0.834000 15.9994 + 9788 SYS 3263 TIP3 H1 A 0.417000 1.0079 + 9789 SYS 3263 TIP3 H2 A 0.417000 1.0079 + 9790 SYS 3264 TIP3 O1 C -0.834000 15.9994 + 9791 SYS 3264 TIP3 H1 A 0.417000 1.0079 + 9792 SYS 3264 TIP3 H2 A 0.417000 1.0079 + 9793 SYS 3265 TIP3 O1 C -0.834000 15.9994 + 9794 SYS 3265 TIP3 H1 A 0.417000 1.0079 + 9795 SYS 3265 TIP3 H2 A 0.417000 1.0079 + 9796 SYS 3266 TIP3 O1 C -0.834000 15.9994 + 9797 SYS 3266 TIP3 H1 A 0.417000 1.0079 + 9798 SYS 3266 TIP3 H2 A 0.417000 1.0079 + 9799 SYS 3267 TIP3 O1 C -0.834000 15.9994 + 9800 SYS 3267 TIP3 H1 A 0.417000 1.0079 + 9801 SYS 3267 TIP3 H2 A 0.417000 1.0079 + 9802 SYS 3268 TIP3 O1 C -0.834000 15.9994 + 9803 SYS 3268 TIP3 H1 A 0.417000 1.0079 + 9804 SYS 3268 TIP3 H2 A 0.417000 1.0079 + 9805 SYS 3269 TIP3 O1 C -0.834000 15.9994 + 9806 SYS 3269 TIP3 H1 A 0.417000 1.0079 + 9807 SYS 3269 TIP3 H2 A 0.417000 1.0079 + 9808 SYS 3270 TIP3 O1 C -0.834000 15.9994 + 9809 SYS 3270 TIP3 H1 A 0.417000 1.0079 + 9810 SYS 3270 TIP3 H2 A 0.417000 1.0079 + 9811 SYS 3271 TIP3 O1 C -0.834000 15.9994 + 9812 SYS 3271 TIP3 H1 A 0.417000 1.0079 + 9813 SYS 3271 TIP3 H2 A 0.417000 1.0079 + 9814 SYS 3272 TIP3 O1 C -0.834000 15.9994 + 9815 SYS 3272 TIP3 H1 A 0.417000 1.0079 + 9816 SYS 3272 TIP3 H2 A 0.417000 1.0079 + 9817 SYS 3273 TIP3 O1 C -0.834000 15.9994 + 9818 SYS 3273 TIP3 H1 A 0.417000 1.0079 + 9819 SYS 3273 TIP3 H2 A 0.417000 1.0079 + 9820 SYS 3274 TIP3 O1 C -0.834000 15.9994 + 9821 SYS 3274 TIP3 H1 A 0.417000 1.0079 + 9822 SYS 3274 TIP3 H2 A 0.417000 1.0079 + 9823 SYS 3275 TIP3 O1 C -0.834000 15.9994 + 9824 SYS 3275 TIP3 H1 A 0.417000 1.0079 + 9825 SYS 3275 TIP3 H2 A 0.417000 1.0079 + 9826 SYS 3276 TIP3 O1 C -0.834000 15.9994 + 9827 SYS 3276 TIP3 H1 A 0.417000 1.0079 + 9828 SYS 3276 TIP3 H2 A 0.417000 1.0079 + 9829 SYS 3277 TIP3 O1 C -0.834000 15.9994 + 9830 SYS 3277 TIP3 H1 A 0.417000 1.0079 + 9831 SYS 3277 TIP3 H2 A 0.417000 1.0079 + 9832 SYS 3278 TIP3 O1 C -0.834000 15.9994 + 9833 SYS 3278 TIP3 H1 A 0.417000 1.0079 + 9834 SYS 3278 TIP3 H2 A 0.417000 1.0079 + 9835 SYS 3279 TIP3 O1 C -0.834000 15.9994 + 9836 SYS 3279 TIP3 H1 A 0.417000 1.0079 + 9837 SYS 3279 TIP3 H2 A 0.417000 1.0079 + 9838 SYS 3280 TIP3 O1 C -0.834000 15.9994 + 9839 SYS 3280 TIP3 H1 A 0.417000 1.0079 + 9840 SYS 3280 TIP3 H2 A 0.417000 1.0079 + 9841 SYS 3281 TIP3 O1 C -0.834000 15.9994 + 9842 SYS 3281 TIP3 H1 A 0.417000 1.0079 + 9843 SYS 3281 TIP3 H2 A 0.417000 1.0079 + 9844 SYS 3282 TIP3 O1 C -0.834000 15.9994 + 9845 SYS 3282 TIP3 H1 A 0.417000 1.0079 + 9846 SYS 3282 TIP3 H2 A 0.417000 1.0079 + 9847 SYS 3283 TIP3 O1 C -0.834000 15.9994 + 9848 SYS 3283 TIP3 H1 A 0.417000 1.0079 + 9849 SYS 3283 TIP3 H2 A 0.417000 1.0079 + 9850 SYS 3284 TIP3 O1 C -0.834000 15.9994 + 9851 SYS 3284 TIP3 H1 A 0.417000 1.0079 + 9852 SYS 3284 TIP3 H2 A 0.417000 1.0079 + 9853 SYS 3285 TIP3 O1 C -0.834000 15.9994 + 9854 SYS 3285 TIP3 H1 A 0.417000 1.0079 + 9855 SYS 3285 TIP3 H2 A 0.417000 1.0079 + 9856 SYS 3286 TIP3 O1 C -0.834000 15.9994 + 9857 SYS 3286 TIP3 H1 A 0.417000 1.0079 + 9858 SYS 3286 TIP3 H2 A 0.417000 1.0079 + 9859 SYS 3287 TIP3 O1 C -0.834000 15.9994 + 9860 SYS 3287 TIP3 H1 A 0.417000 1.0079 + 9861 SYS 3287 TIP3 H2 A 0.417000 1.0079 + 9862 SYS 3288 TIP3 O1 C -0.834000 15.9994 + 9863 SYS 3288 TIP3 H1 A 0.417000 1.0079 + 9864 SYS 3288 TIP3 H2 A 0.417000 1.0079 + 9865 SYS 3289 TIP3 O1 C -0.834000 15.9994 + 9866 SYS 3289 TIP3 H1 A 0.417000 1.0079 + 9867 SYS 3289 TIP3 H2 A 0.417000 1.0079 + 9868 SYS 3290 TIP3 O1 C -0.834000 15.9994 + 9869 SYS 3290 TIP3 H1 A 0.417000 1.0079 + 9870 SYS 3290 TIP3 H2 A 0.417000 1.0079 + 9871 SYS 3291 TIP3 O1 C -0.834000 15.9994 + 9872 SYS 3291 TIP3 H1 A 0.417000 1.0079 + 9873 SYS 3291 TIP3 H2 A 0.417000 1.0079 + 9874 SYS 3292 TIP3 O1 C -0.834000 15.9994 + 9875 SYS 3292 TIP3 H1 A 0.417000 1.0079 + 9876 SYS 3292 TIP3 H2 A 0.417000 1.0079 + 9877 SYS 3293 TIP3 O1 C -0.834000 15.9994 + 9878 SYS 3293 TIP3 H1 A 0.417000 1.0079 + 9879 SYS 3293 TIP3 H2 A 0.417000 1.0079 + 9880 SYS 3294 TIP3 O1 C -0.834000 15.9994 + 9881 SYS 3294 TIP3 H1 A 0.417000 1.0079 + 9882 SYS 3294 TIP3 H2 A 0.417000 1.0079 + 9883 SYS 3295 TIP3 O1 C -0.834000 15.9994 + 9884 SYS 3295 TIP3 H1 A 0.417000 1.0079 + 9885 SYS 3295 TIP3 H2 A 0.417000 1.0079 + 9886 SYS 3296 TIP3 O1 C -0.834000 15.9994 + 9887 SYS 3296 TIP3 H1 A 0.417000 1.0079 + 9888 SYS 3296 TIP3 H2 A 0.417000 1.0079 + 9889 SYS 3297 TIP3 O1 C -0.834000 15.9994 + 9890 SYS 3297 TIP3 H1 A 0.417000 1.0079 + 9891 SYS 3297 TIP3 H2 A 0.417000 1.0079 + 9892 SYS 3298 TIP3 O1 C -0.834000 15.9994 + 9893 SYS 3298 TIP3 H1 A 0.417000 1.0079 + 9894 SYS 3298 TIP3 H2 A 0.417000 1.0079 + 9895 SYS 3299 TIP3 O1 C -0.834000 15.9994 + 9896 SYS 3299 TIP3 H1 A 0.417000 1.0079 + 9897 SYS 3299 TIP3 H2 A 0.417000 1.0079 + 9898 SYS 3300 TIP3 O1 C -0.834000 15.9994 + 9899 SYS 3300 TIP3 H1 A 0.417000 1.0079 + 9900 SYS 3300 TIP3 H2 A 0.417000 1.0079 + 9901 SYS 3301 TIP3 O1 C -0.834000 15.9994 + 9902 SYS 3301 TIP3 H1 A 0.417000 1.0079 + 9903 SYS 3301 TIP3 H2 A 0.417000 1.0079 + 9904 SYS 3302 TIP3 O1 C -0.834000 15.9994 + 9905 SYS 3302 TIP3 H1 A 0.417000 1.0079 + 9906 SYS 3302 TIP3 H2 A 0.417000 1.0079 + 9907 SYS 3303 TIP3 O1 C -0.834000 15.9994 + 9908 SYS 3303 TIP3 H1 A 0.417000 1.0079 + 9909 SYS 3303 TIP3 H2 A 0.417000 1.0079 + 9910 SYS 3304 TIP3 O1 C -0.834000 15.9994 + 9911 SYS 3304 TIP3 H1 A 0.417000 1.0079 + 9912 SYS 3304 TIP3 H2 A 0.417000 1.0079 + 9913 SYS 3305 TIP3 O1 C -0.834000 15.9994 + 9914 SYS 3305 TIP3 H1 A 0.417000 1.0079 + 9915 SYS 3305 TIP3 H2 A 0.417000 1.0079 + 9916 SYS 3306 TIP3 O1 C -0.834000 15.9994 + 9917 SYS 3306 TIP3 H1 A 0.417000 1.0079 + 9918 SYS 3306 TIP3 H2 A 0.417000 1.0079 + 9919 SYS 3307 TIP3 O1 C -0.834000 15.9994 + 9920 SYS 3307 TIP3 H1 A 0.417000 1.0079 + 9921 SYS 3307 TIP3 H2 A 0.417000 1.0079 + 9922 SYS 3308 TIP3 O1 C -0.834000 15.9994 + 9923 SYS 3308 TIP3 H1 A 0.417000 1.0079 + 9924 SYS 3308 TIP3 H2 A 0.417000 1.0079 + 9925 SYS 3309 TIP3 O1 C -0.834000 15.9994 + 9926 SYS 3309 TIP3 H1 A 0.417000 1.0079 + 9927 SYS 3309 TIP3 H2 A 0.417000 1.0079 + 9928 SYS 3310 TIP3 O1 C -0.834000 15.9994 + 9929 SYS 3310 TIP3 H1 A 0.417000 1.0079 + 9930 SYS 3310 TIP3 H2 A 0.417000 1.0079 + 9931 SYS 3311 TIP3 O1 C -0.834000 15.9994 + 9932 SYS 3311 TIP3 H1 A 0.417000 1.0079 + 9933 SYS 3311 TIP3 H2 A 0.417000 1.0079 + 9934 SYS 3312 TIP3 O1 C -0.834000 15.9994 + 9935 SYS 3312 TIP3 H1 A 0.417000 1.0079 + 9936 SYS 3312 TIP3 H2 A 0.417000 1.0079 + 9937 SYS 3313 TIP3 O1 C -0.834000 15.9994 + 9938 SYS 3313 TIP3 H1 A 0.417000 1.0079 + 9939 SYS 3313 TIP3 H2 A 0.417000 1.0079 + 9940 SYS 3314 TIP3 O1 C -0.834000 15.9994 + 9941 SYS 3314 TIP3 H1 A 0.417000 1.0079 + 9942 SYS 3314 TIP3 H2 A 0.417000 1.0079 + 9943 SYS 3315 TIP3 O1 C -0.834000 15.9994 + 9944 SYS 3315 TIP3 H1 A 0.417000 1.0079 + 9945 SYS 3315 TIP3 H2 A 0.417000 1.0079 + 9946 SYS 3316 TIP3 O1 C -0.834000 15.9994 + 9947 SYS 3316 TIP3 H1 A 0.417000 1.0079 + 9948 SYS 3316 TIP3 H2 A 0.417000 1.0079 + 9949 SYS 3317 TIP3 O1 C -0.834000 15.9994 + 9950 SYS 3317 TIP3 H1 A 0.417000 1.0079 + 9951 SYS 3317 TIP3 H2 A 0.417000 1.0079 + 9952 SYS 3318 TIP3 O1 C -0.834000 15.9994 + 9953 SYS 3318 TIP3 H1 A 0.417000 1.0079 + 9954 SYS 3318 TIP3 H2 A 0.417000 1.0079 + 9955 SYS 3319 TIP3 O1 C -0.834000 15.9994 + 9956 SYS 3319 TIP3 H1 A 0.417000 1.0079 + 9957 SYS 3319 TIP3 H2 A 0.417000 1.0079 + 9958 SYS 3320 TIP3 O1 C -0.834000 15.9994 + 9959 SYS 3320 TIP3 H1 A 0.417000 1.0079 + 9960 SYS 3320 TIP3 H2 A 0.417000 1.0079 + 9961 SYS 3321 TIP3 O1 C -0.834000 15.9994 + 9962 SYS 3321 TIP3 H1 A 0.417000 1.0079 + 9963 SYS 3321 TIP3 H2 A 0.417000 1.0079 + 9964 SYS 3322 TIP3 O1 C -0.834000 15.9994 + 9965 SYS 3322 TIP3 H1 A 0.417000 1.0079 + 9966 SYS 3322 TIP3 H2 A 0.417000 1.0079 + 9967 SYS 3323 TIP3 O1 C -0.834000 15.9994 + 9968 SYS 3323 TIP3 H1 A 0.417000 1.0079 + 9969 SYS 3323 TIP3 H2 A 0.417000 1.0079 + 9970 SYS 3324 TIP3 O1 C -0.834000 15.9994 + 9971 SYS 3324 TIP3 H1 A 0.417000 1.0079 + 9972 SYS 3324 TIP3 H2 A 0.417000 1.0079 + 9973 SYS 3325 TIP3 O1 C -0.834000 15.9994 + 9974 SYS 3325 TIP3 H1 A 0.417000 1.0079 + 9975 SYS 3325 TIP3 H2 A 0.417000 1.0079 + 9976 SYS 3326 TIP3 O1 C -0.834000 15.9994 + 9977 SYS 3326 TIP3 H1 A 0.417000 1.0079 + 9978 SYS 3326 TIP3 H2 A 0.417000 1.0079 + 9979 SYS 3327 TIP3 O1 C -0.834000 15.9994 + 9980 SYS 3327 TIP3 H1 A 0.417000 1.0079 + 9981 SYS 3327 TIP3 H2 A 0.417000 1.0079 + 9982 SYS 3328 TIP3 O1 C -0.834000 15.9994 + 9983 SYS 3328 TIP3 H1 A 0.417000 1.0079 + 9984 SYS 3328 TIP3 H2 A 0.417000 1.0079 + 9985 SYS 3329 TIP3 O1 C -0.834000 15.9994 + 9986 SYS 3329 TIP3 H1 A 0.417000 1.0079 + 9987 SYS 3329 TIP3 H2 A 0.417000 1.0079 + 9988 SYS 3330 TIP3 O1 C -0.834000 15.9994 + 9989 SYS 3330 TIP3 H1 A 0.417000 1.0079 + 9990 SYS 3330 TIP3 H2 A 0.417000 1.0079 + 9991 SYS 3331 TIP3 O1 C -0.834000 15.9994 + 9992 SYS 3331 TIP3 H1 A 0.417000 1.0079 + 9993 SYS 3331 TIP3 H2 A 0.417000 1.0079 + 9994 SYS 3332 TIP3 O1 C -0.834000 15.9994 + 9995 SYS 3332 TIP3 H1 A 0.417000 1.0079 + 9996 SYS 3332 TIP3 H2 A 0.417000 1.0079 + 9997 SYS 3333 TIP3 O1 C -0.834000 15.9994 + 9998 SYS 3333 TIP3 H1 A 0.417000 1.0079 + 9999 SYS 3333 TIP3 H2 A 0.417000 1.0079 + 10000 SYS 3334 TIP3 O1 C -0.834000 15.9994 + 10001 SYS 3334 TIP3 H1 A 0.417000 1.0079 + 10002 SYS 3334 TIP3 H2 A 0.417000 1.0079 + 10003 SYS 3335 TIP3 O1 C -0.834000 15.9994 + 10004 SYS 3335 TIP3 H1 A 0.417000 1.0079 + 10005 SYS 3335 TIP3 H2 A 0.417000 1.0079 + 10006 SYS 3336 TIP3 O1 C -0.834000 15.9994 + 10007 SYS 3336 TIP3 H1 A 0.417000 1.0079 + 10008 SYS 3336 TIP3 H2 A 0.417000 1.0079 + 10009 SYS 3337 TIP3 O1 C -0.834000 15.9994 + 10010 SYS 3337 TIP3 H1 A 0.417000 1.0079 + 10011 SYS 3337 TIP3 H2 A 0.417000 1.0079 + 10012 SYS 3338 TIP3 O1 C -0.834000 15.9994 + 10013 SYS 3338 TIP3 H1 A 0.417000 1.0079 + 10014 SYS 3338 TIP3 H2 A 0.417000 1.0079 + 10015 SYS 3339 TIP3 O1 C -0.834000 15.9994 + 10016 SYS 3339 TIP3 H1 A 0.417000 1.0079 + 10017 SYS 3339 TIP3 H2 A 0.417000 1.0079 + 10018 SYS 3340 TIP3 O1 C -0.834000 15.9994 + 10019 SYS 3340 TIP3 H1 A 0.417000 1.0079 + 10020 SYS 3340 TIP3 H2 A 0.417000 1.0079 + 10021 SYS 3341 TIP3 O1 C -0.834000 15.9994 + 10022 SYS 3341 TIP3 H1 A 0.417000 1.0079 + 10023 SYS 3341 TIP3 H2 A 0.417000 1.0079 + 10024 SYS 3342 TIP3 O1 C -0.834000 15.9994 + 10025 SYS 3342 TIP3 H1 A 0.417000 1.0079 + 10026 SYS 3342 TIP3 H2 A 0.417000 1.0079 + 10027 SYS 3343 TIP3 O1 C -0.834000 15.9994 + 10028 SYS 3343 TIP3 H1 A 0.417000 1.0079 + 10029 SYS 3343 TIP3 H2 A 0.417000 1.0079 + 10030 SYS 3344 TIP3 O1 C -0.834000 15.9994 + 10031 SYS 3344 TIP3 H1 A 0.417000 1.0079 + 10032 SYS 3344 TIP3 H2 A 0.417000 1.0079 + 10033 SYS 3345 TIP3 O1 C -0.834000 15.9994 + 10034 SYS 3345 TIP3 H1 A 0.417000 1.0079 + 10035 SYS 3345 TIP3 H2 A 0.417000 1.0079 + 10036 SYS 3346 TIP3 O1 C -0.834000 15.9994 + 10037 SYS 3346 TIP3 H1 A 0.417000 1.0079 + 10038 SYS 3346 TIP3 H2 A 0.417000 1.0079 + 10039 SYS 3347 TIP3 O1 C -0.834000 15.9994 + 10040 SYS 3347 TIP3 H1 A 0.417000 1.0079 + 10041 SYS 3347 TIP3 H2 A 0.417000 1.0079 + 10042 SYS 3348 TIP3 O1 C -0.834000 15.9994 + 10043 SYS 3348 TIP3 H1 A 0.417000 1.0079 + 10044 SYS 3348 TIP3 H2 A 0.417000 1.0079 + 10045 SYS 3349 TIP3 O1 C -0.834000 15.9994 + 10046 SYS 3349 TIP3 H1 A 0.417000 1.0079 + 10047 SYS 3349 TIP3 H2 A 0.417000 1.0079 + 10048 SYS 3350 TIP3 O1 C -0.834000 15.9994 + 10049 SYS 3350 TIP3 H1 A 0.417000 1.0079 + 10050 SYS 3350 TIP3 H2 A 0.417000 1.0079 + 10051 SYS 3351 TIP3 O1 C -0.834000 15.9994 + 10052 SYS 3351 TIP3 H1 A 0.417000 1.0079 + 10053 SYS 3351 TIP3 H2 A 0.417000 1.0079 + 10054 SYS 3352 TIP3 O1 C -0.834000 15.9994 + 10055 SYS 3352 TIP3 H1 A 0.417000 1.0079 + 10056 SYS 3352 TIP3 H2 A 0.417000 1.0079 + 10057 SYS 3353 TIP3 O1 C -0.834000 15.9994 + 10058 SYS 3353 TIP3 H1 A 0.417000 1.0079 + 10059 SYS 3353 TIP3 H2 A 0.417000 1.0079 + 10060 SYS 3354 TIP3 O1 C -0.834000 15.9994 + 10061 SYS 3354 TIP3 H1 A 0.417000 1.0079 + 10062 SYS 3354 TIP3 H2 A 0.417000 1.0079 + 10063 SYS 3355 TIP3 O1 C -0.834000 15.9994 + 10064 SYS 3355 TIP3 H1 A 0.417000 1.0079 + 10065 SYS 3355 TIP3 H2 A 0.417000 1.0079 + 10066 SYS 3356 TIP3 O1 C -0.834000 15.9994 + 10067 SYS 3356 TIP3 H1 A 0.417000 1.0079 + 10068 SYS 3356 TIP3 H2 A 0.417000 1.0079 + 10069 SYS 3357 TIP3 O1 C -0.834000 15.9994 + 10070 SYS 3357 TIP3 H1 A 0.417000 1.0079 + 10071 SYS 3357 TIP3 H2 A 0.417000 1.0079 + 10072 SYS 3358 TIP3 O1 C -0.834000 15.9994 + 10073 SYS 3358 TIP3 H1 A 0.417000 1.0079 + 10074 SYS 3358 TIP3 H2 A 0.417000 1.0079 + 10075 SYS 3359 TIP3 O1 C -0.834000 15.9994 + 10076 SYS 3359 TIP3 H1 A 0.417000 1.0079 + 10077 SYS 3359 TIP3 H2 A 0.417000 1.0079 + 10078 SYS 3360 TIP3 O1 C -0.834000 15.9994 + 10079 SYS 3360 TIP3 H1 A 0.417000 1.0079 + 10080 SYS 3360 TIP3 H2 A 0.417000 1.0079 + 10081 SYS 3361 TIP3 O1 C -0.834000 15.9994 + 10082 SYS 3361 TIP3 H1 A 0.417000 1.0079 + 10083 SYS 3361 TIP3 H2 A 0.417000 1.0079 + 10084 SYS 3362 TIP3 O1 C -0.834000 15.9994 + 10085 SYS 3362 TIP3 H1 A 0.417000 1.0079 + 10086 SYS 3362 TIP3 H2 A 0.417000 1.0079 + 10087 SYS 3363 TIP3 O1 C -0.834000 15.9994 + 10088 SYS 3363 TIP3 H1 A 0.417000 1.0079 + 10089 SYS 3363 TIP3 H2 A 0.417000 1.0079 + 10090 SYS 3364 TIP3 O1 C -0.834000 15.9994 + 10091 SYS 3364 TIP3 H1 A 0.417000 1.0079 + 10092 SYS 3364 TIP3 H2 A 0.417000 1.0079 + 10093 SYS 3365 TIP3 O1 C -0.834000 15.9994 + 10094 SYS 3365 TIP3 H1 A 0.417000 1.0079 + 10095 SYS 3365 TIP3 H2 A 0.417000 1.0079 + 10096 SYS 3366 TIP3 O1 C -0.834000 15.9994 + 10097 SYS 3366 TIP3 H1 A 0.417000 1.0079 + 10098 SYS 3366 TIP3 H2 A 0.417000 1.0079 + 10099 SYS 3367 TIP3 O1 C -0.834000 15.9994 + 10100 SYS 3367 TIP3 H1 A 0.417000 1.0079 + 10101 SYS 3367 TIP3 H2 A 0.417000 1.0079 + 10102 SYS 3368 TIP3 O1 C -0.834000 15.9994 + 10103 SYS 3368 TIP3 H1 A 0.417000 1.0079 + 10104 SYS 3368 TIP3 H2 A 0.417000 1.0079 + 10105 SYS 3369 TIP3 O1 C -0.834000 15.9994 + 10106 SYS 3369 TIP3 H1 A 0.417000 1.0079 + 10107 SYS 3369 TIP3 H2 A 0.417000 1.0079 + 10108 SYS 3370 TIP3 O1 C -0.834000 15.9994 + 10109 SYS 3370 TIP3 H1 A 0.417000 1.0079 + 10110 SYS 3370 TIP3 H2 A 0.417000 1.0079 + 10111 SYS 3371 TIP3 O1 C -0.834000 15.9994 + 10112 SYS 3371 TIP3 H1 A 0.417000 1.0079 + 10113 SYS 3371 TIP3 H2 A 0.417000 1.0079 + 10114 SYS 3372 TIP3 O1 C -0.834000 15.9994 + 10115 SYS 3372 TIP3 H1 A 0.417000 1.0079 + 10116 SYS 3372 TIP3 H2 A 0.417000 1.0079 + 10117 SYS 3373 TIP3 O1 C -0.834000 15.9994 + 10118 SYS 3373 TIP3 H1 A 0.417000 1.0079 + 10119 SYS 3373 TIP3 H2 A 0.417000 1.0079 + 10120 SYS 3374 TIP3 O1 C -0.834000 15.9994 + 10121 SYS 3374 TIP3 H1 A 0.417000 1.0079 + 10122 SYS 3374 TIP3 H2 A 0.417000 1.0079 + 10123 SYS 3375 TIP3 O1 C -0.834000 15.9994 + 10124 SYS 3375 TIP3 H1 A 0.417000 1.0079 + 10125 SYS 3375 TIP3 H2 A 0.417000 1.0079 + 10126 SYS 3376 TIP3 O1 C -0.834000 15.9994 + 10127 SYS 3376 TIP3 H1 A 0.417000 1.0079 + 10128 SYS 3376 TIP3 H2 A 0.417000 1.0079 + 10129 SYS 3377 TIP3 O1 C -0.834000 15.9994 + 10130 SYS 3377 TIP3 H1 A 0.417000 1.0079 + 10131 SYS 3377 TIP3 H2 A 0.417000 1.0079 + 10132 SYS 3378 TIP3 O1 C -0.834000 15.9994 + 10133 SYS 3378 TIP3 H1 A 0.417000 1.0079 + 10134 SYS 3378 TIP3 H2 A 0.417000 1.0079 + 10135 SYS 3379 TIP3 O1 C -0.834000 15.9994 + 10136 SYS 3379 TIP3 H1 A 0.417000 1.0079 + 10137 SYS 3379 TIP3 H2 A 0.417000 1.0079 + 10138 SYS 3380 TIP3 O1 C -0.834000 15.9994 + 10139 SYS 3380 TIP3 H1 A 0.417000 1.0079 + 10140 SYS 3380 TIP3 H2 A 0.417000 1.0079 + 10141 SYS 3381 TIP3 O1 C -0.834000 15.9994 + 10142 SYS 3381 TIP3 H1 A 0.417000 1.0079 + 10143 SYS 3381 TIP3 H2 A 0.417000 1.0079 + 10144 SYS 3382 TIP3 O1 C -0.834000 15.9994 + 10145 SYS 3382 TIP3 H1 A 0.417000 1.0079 + 10146 SYS 3382 TIP3 H2 A 0.417000 1.0079 + 10147 SYS 3383 TIP3 O1 C -0.834000 15.9994 + 10148 SYS 3383 TIP3 H1 A 0.417000 1.0079 + 10149 SYS 3383 TIP3 H2 A 0.417000 1.0079 + 10150 SYS 3384 TIP3 O1 C -0.834000 15.9994 + 10151 SYS 3384 TIP3 H1 A 0.417000 1.0079 + 10152 SYS 3384 TIP3 H2 A 0.417000 1.0079 + 10153 SYS 3385 TIP3 O1 C -0.834000 15.9994 + 10154 SYS 3385 TIP3 H1 A 0.417000 1.0079 + 10155 SYS 3385 TIP3 H2 A 0.417000 1.0079 + 10156 SYS 3386 TIP3 O1 C -0.834000 15.9994 + 10157 SYS 3386 TIP3 H1 A 0.417000 1.0079 + 10158 SYS 3386 TIP3 H2 A 0.417000 1.0079 + 10159 SYS 3387 TIP3 O1 C -0.834000 15.9994 + 10160 SYS 3387 TIP3 H1 A 0.417000 1.0079 + 10161 SYS 3387 TIP3 H2 A 0.417000 1.0079 + 10162 SYS 3388 TIP3 O1 C -0.834000 15.9994 + 10163 SYS 3388 TIP3 H1 A 0.417000 1.0079 + 10164 SYS 3388 TIP3 H2 A 0.417000 1.0079 + 10165 SYS 3389 TIP3 O1 C -0.834000 15.9994 + 10166 SYS 3389 TIP3 H1 A 0.417000 1.0079 + 10167 SYS 3389 TIP3 H2 A 0.417000 1.0079 + 10168 SYS 3390 TIP3 O1 C -0.834000 15.9994 + 10169 SYS 3390 TIP3 H1 A 0.417000 1.0079 + 10170 SYS 3390 TIP3 H2 A 0.417000 1.0079 + 10171 SYS 3391 TIP3 O1 C -0.834000 15.9994 + 10172 SYS 3391 TIP3 H1 A 0.417000 1.0079 + 10173 SYS 3391 TIP3 H2 A 0.417000 1.0079 + 10174 SYS 3392 TIP3 O1 C -0.834000 15.9994 + 10175 SYS 3392 TIP3 H1 A 0.417000 1.0079 + 10176 SYS 3392 TIP3 H2 A 0.417000 1.0079 + 10177 SYS 3393 TIP3 O1 C -0.834000 15.9994 + 10178 SYS 3393 TIP3 H1 A 0.417000 1.0079 + 10179 SYS 3393 TIP3 H2 A 0.417000 1.0079 + 10180 SYS 3394 TIP3 O1 C -0.834000 15.9994 + 10181 SYS 3394 TIP3 H1 A 0.417000 1.0079 + 10182 SYS 3394 TIP3 H2 A 0.417000 1.0079 + 10183 SYS 3395 TIP3 O1 C -0.834000 15.9994 + 10184 SYS 3395 TIP3 H1 A 0.417000 1.0079 + 10185 SYS 3395 TIP3 H2 A 0.417000 1.0079 + 10186 SYS 3396 TIP3 O1 C -0.834000 15.9994 + 10187 SYS 3396 TIP3 H1 A 0.417000 1.0079 + 10188 SYS 3396 TIP3 H2 A 0.417000 1.0079 + 10189 SYS 3397 TIP3 O1 C -0.834000 15.9994 + 10190 SYS 3397 TIP3 H1 A 0.417000 1.0079 + 10191 SYS 3397 TIP3 H2 A 0.417000 1.0079 + 10192 SYS 3398 TIP3 O1 C -0.834000 15.9994 + 10193 SYS 3398 TIP3 H1 A 0.417000 1.0079 + 10194 SYS 3398 TIP3 H2 A 0.417000 1.0079 + 10195 SYS 3399 TIP3 O1 C -0.834000 15.9994 + 10196 SYS 3399 TIP3 H1 A 0.417000 1.0079 + 10197 SYS 3399 TIP3 H2 A 0.417000 1.0079 + 10198 SYS 3400 TIP3 O1 C -0.834000 15.9994 + 10199 SYS 3400 TIP3 H1 A 0.417000 1.0079 + 10200 SYS 3400 TIP3 H2 A 0.417000 1.0079 + 10201 SYS 3401 TIP3 O1 C -0.834000 15.9994 + 10202 SYS 3401 TIP3 H1 A 0.417000 1.0079 + 10203 SYS 3401 TIP3 H2 A 0.417000 1.0079 + 10204 SYS 3402 TIP3 O1 C -0.834000 15.9994 + 10205 SYS 3402 TIP3 H1 A 0.417000 1.0079 + 10206 SYS 3402 TIP3 H2 A 0.417000 1.0079 + 10207 SYS 3403 TIP3 O1 C -0.834000 15.9994 + 10208 SYS 3403 TIP3 H1 A 0.417000 1.0079 + 10209 SYS 3403 TIP3 H2 A 0.417000 1.0079 + 10210 SYS 3404 TIP3 O1 C -0.834000 15.9994 + 10211 SYS 3404 TIP3 H1 A 0.417000 1.0079 + 10212 SYS 3404 TIP3 H2 A 0.417000 1.0079 + 10213 SYS 3405 TIP3 O1 C -0.834000 15.9994 + 10214 SYS 3405 TIP3 H1 A 0.417000 1.0079 + 10215 SYS 3405 TIP3 H2 A 0.417000 1.0079 + 10216 SYS 3406 TIP3 O1 C -0.834000 15.9994 + 10217 SYS 3406 TIP3 H1 A 0.417000 1.0079 + 10218 SYS 3406 TIP3 H2 A 0.417000 1.0079 + 10219 SYS 3407 TIP3 O1 C -0.834000 15.9994 + 10220 SYS 3407 TIP3 H1 A 0.417000 1.0079 + 10221 SYS 3407 TIP3 H2 A 0.417000 1.0079 + 10222 SYS 3408 TIP3 O1 C -0.834000 15.9994 + 10223 SYS 3408 TIP3 H1 A 0.417000 1.0079 + 10224 SYS 3408 TIP3 H2 A 0.417000 1.0079 + 10225 SYS 3409 TIP3 O1 C -0.834000 15.9994 + 10226 SYS 3409 TIP3 H1 A 0.417000 1.0079 + 10227 SYS 3409 TIP3 H2 A 0.417000 1.0079 + 10228 SYS 3410 TIP3 O1 C -0.834000 15.9994 + 10229 SYS 3410 TIP3 H1 A 0.417000 1.0079 + 10230 SYS 3410 TIP3 H2 A 0.417000 1.0079 + 10231 SYS 3411 TIP3 O1 C -0.834000 15.9994 + 10232 SYS 3411 TIP3 H1 A 0.417000 1.0079 + 10233 SYS 3411 TIP3 H2 A 0.417000 1.0079 + 10234 SYS 3412 TIP3 O1 C -0.834000 15.9994 + 10235 SYS 3412 TIP3 H1 A 0.417000 1.0079 + 10236 SYS 3412 TIP3 H2 A 0.417000 1.0079 + 10237 SYS 3413 TIP3 O1 C -0.834000 15.9994 + 10238 SYS 3413 TIP3 H1 A 0.417000 1.0079 + 10239 SYS 3413 TIP3 H2 A 0.417000 1.0079 + 10240 SYS 3414 TIP3 O1 C -0.834000 15.9994 + 10241 SYS 3414 TIP3 H1 A 0.417000 1.0079 + 10242 SYS 3414 TIP3 H2 A 0.417000 1.0079 + 10243 SYS 3415 TIP3 O1 C -0.834000 15.9994 + 10244 SYS 3415 TIP3 H1 A 0.417000 1.0079 + 10245 SYS 3415 TIP3 H2 A 0.417000 1.0079 + 10246 SYS 3416 TIP3 O1 C -0.834000 15.9994 + 10247 SYS 3416 TIP3 H1 A 0.417000 1.0079 + 10248 SYS 3416 TIP3 H2 A 0.417000 1.0079 + 10249 SYS 3417 TIP3 O1 C -0.834000 15.9994 + 10250 SYS 3417 TIP3 H1 A 0.417000 1.0079 + 10251 SYS 3417 TIP3 H2 A 0.417000 1.0079 + 10252 SYS 3418 TIP3 O1 C -0.834000 15.9994 + 10253 SYS 3418 TIP3 H1 A 0.417000 1.0079 + 10254 SYS 3418 TIP3 H2 A 0.417000 1.0079 + 10255 SYS 3419 TIP3 O1 C -0.834000 15.9994 + 10256 SYS 3419 TIP3 H1 A 0.417000 1.0079 + 10257 SYS 3419 TIP3 H2 A 0.417000 1.0079 + 10258 SYS 3420 TIP3 O1 C -0.834000 15.9994 + 10259 SYS 3420 TIP3 H1 A 0.417000 1.0079 + 10260 SYS 3420 TIP3 H2 A 0.417000 1.0079 + 10261 SYS 3421 TIP3 O1 C -0.834000 15.9994 + 10262 SYS 3421 TIP3 H1 A 0.417000 1.0079 + 10263 SYS 3421 TIP3 H2 A 0.417000 1.0079 + 10264 SYS 3422 TIP3 O1 C -0.834000 15.9994 + 10265 SYS 3422 TIP3 H1 A 0.417000 1.0079 + 10266 SYS 3422 TIP3 H2 A 0.417000 1.0079 + 10267 SYS 3423 TIP3 O1 C -0.834000 15.9994 + 10268 SYS 3423 TIP3 H1 A 0.417000 1.0079 + 10269 SYS 3423 TIP3 H2 A 0.417000 1.0079 + 10270 SYS 3424 TIP3 O1 C -0.834000 15.9994 + 10271 SYS 3424 TIP3 H1 A 0.417000 1.0079 + 10272 SYS 3424 TIP3 H2 A 0.417000 1.0079 + 10273 SYS 3425 TIP3 O1 C -0.834000 15.9994 + 10274 SYS 3425 TIP3 H1 A 0.417000 1.0079 + 10275 SYS 3425 TIP3 H2 A 0.417000 1.0079 + 10276 SYS 3426 TIP3 O1 C -0.834000 15.9994 + 10277 SYS 3426 TIP3 H1 A 0.417000 1.0079 + 10278 SYS 3426 TIP3 H2 A 0.417000 1.0079 + 10279 SYS 3427 TIP3 O1 C -0.834000 15.9994 + 10280 SYS 3427 TIP3 H1 A 0.417000 1.0079 + 10281 SYS 3427 TIP3 H2 A 0.417000 1.0079 + 10282 SYS 3428 TIP3 O1 C -0.834000 15.9994 + 10283 SYS 3428 TIP3 H1 A 0.417000 1.0079 + 10284 SYS 3428 TIP3 H2 A 0.417000 1.0079 + 10285 SYS 3429 TIP3 O1 C -0.834000 15.9994 + 10286 SYS 3429 TIP3 H1 A 0.417000 1.0079 + 10287 SYS 3429 TIP3 H2 A 0.417000 1.0079 + 10288 SYS 3430 TIP3 O1 C -0.834000 15.9994 + 10289 SYS 3430 TIP3 H1 A 0.417000 1.0079 + 10290 SYS 3430 TIP3 H2 A 0.417000 1.0079 + 10291 SYS 3431 TIP3 O1 C -0.834000 15.9994 + 10292 SYS 3431 TIP3 H1 A 0.417000 1.0079 + 10293 SYS 3431 TIP3 H2 A 0.417000 1.0079 + 10294 SYS 3432 TIP3 O1 C -0.834000 15.9994 + 10295 SYS 3432 TIP3 H1 A 0.417000 1.0079 + 10296 SYS 3432 TIP3 H2 A 0.417000 1.0079 + 10297 SYS 3433 TIP3 O1 C -0.834000 15.9994 + 10298 SYS 3433 TIP3 H1 A 0.417000 1.0079 + 10299 SYS 3433 TIP3 H2 A 0.417000 1.0079 + 10300 SYS 3434 TIP3 O1 C -0.834000 15.9994 + 10301 SYS 3434 TIP3 H1 A 0.417000 1.0079 + 10302 SYS 3434 TIP3 H2 A 0.417000 1.0079 + 10303 SYS 3435 TIP3 O1 C -0.834000 15.9994 + 10304 SYS 3435 TIP3 H1 A 0.417000 1.0079 + 10305 SYS 3435 TIP3 H2 A 0.417000 1.0079 + 10306 SYS 3436 TIP3 O1 C -0.834000 15.9994 + 10307 SYS 3436 TIP3 H1 A 0.417000 1.0079 + 10308 SYS 3436 TIP3 H2 A 0.417000 1.0079 + 10309 SYS 3437 TIP3 O1 C -0.834000 15.9994 + 10310 SYS 3437 TIP3 H1 A 0.417000 1.0079 + 10311 SYS 3437 TIP3 H2 A 0.417000 1.0079 + 10312 SYS 3438 TIP3 O1 C -0.834000 15.9994 + 10313 SYS 3438 TIP3 H1 A 0.417000 1.0079 + 10314 SYS 3438 TIP3 H2 A 0.417000 1.0079 + 10315 SYS 3439 TIP3 O1 C -0.834000 15.9994 + 10316 SYS 3439 TIP3 H1 A 0.417000 1.0079 + 10317 SYS 3439 TIP3 H2 A 0.417000 1.0079 + 10318 SYS 3440 TIP3 O1 C -0.834000 15.9994 + 10319 SYS 3440 TIP3 H1 A 0.417000 1.0079 + 10320 SYS 3440 TIP3 H2 A 0.417000 1.0079 + 10321 SYS 3441 TIP3 O1 C -0.834000 15.9994 + 10322 SYS 3441 TIP3 H1 A 0.417000 1.0079 + 10323 SYS 3441 TIP3 H2 A 0.417000 1.0079 + 10324 SYS 3442 TIP3 O1 C -0.834000 15.9994 + 10325 SYS 3442 TIP3 H1 A 0.417000 1.0079 + 10326 SYS 3442 TIP3 H2 A 0.417000 1.0079 + 10327 SYS 3443 TIP3 O1 C -0.834000 15.9994 + 10328 SYS 3443 TIP3 H1 A 0.417000 1.0079 + 10329 SYS 3443 TIP3 H2 A 0.417000 1.0079 + 10330 SYS 3444 TIP3 O1 C -0.834000 15.9994 + 10331 SYS 3444 TIP3 H1 A 0.417000 1.0079 + 10332 SYS 3444 TIP3 H2 A 0.417000 1.0079 + 10333 SYS 3445 TIP3 O1 C -0.834000 15.9994 + 10334 SYS 3445 TIP3 H1 A 0.417000 1.0079 + 10335 SYS 3445 TIP3 H2 A 0.417000 1.0079 + 10336 SYS 3446 TIP3 O1 C -0.834000 15.9994 + 10337 SYS 3446 TIP3 H1 A 0.417000 1.0079 + 10338 SYS 3446 TIP3 H2 A 0.417000 1.0079 + 10339 SYS 3447 TIP3 O1 C -0.834000 15.9994 + 10340 SYS 3447 TIP3 H1 A 0.417000 1.0079 + 10341 SYS 3447 TIP3 H2 A 0.417000 1.0079 + 10342 SYS 3448 TIP3 O1 C -0.834000 15.9994 + 10343 SYS 3448 TIP3 H1 A 0.417000 1.0079 + 10344 SYS 3448 TIP3 H2 A 0.417000 1.0079 + 10345 SYS 3449 TIP3 O1 C -0.834000 15.9994 + 10346 SYS 3449 TIP3 H1 A 0.417000 1.0079 + 10347 SYS 3449 TIP3 H2 A 0.417000 1.0079 + 10348 SYS 3450 TIP3 O1 C -0.834000 15.9994 + 10349 SYS 3450 TIP3 H1 A 0.417000 1.0079 + 10350 SYS 3450 TIP3 H2 A 0.417000 1.0079 + 10351 SYS 3451 TIP3 O1 C -0.834000 15.9994 + 10352 SYS 3451 TIP3 H1 A 0.417000 1.0079 + 10353 SYS 3451 TIP3 H2 A 0.417000 1.0079 + 10354 SYS 3452 TIP3 O1 C -0.834000 15.9994 + 10355 SYS 3452 TIP3 H1 A 0.417000 1.0079 + 10356 SYS 3452 TIP3 H2 A 0.417000 1.0079 + 10357 SYS 3453 TIP3 O1 C -0.834000 15.9994 + 10358 SYS 3453 TIP3 H1 A 0.417000 1.0079 + 10359 SYS 3453 TIP3 H2 A 0.417000 1.0079 + 10360 SYS 3454 TIP3 O1 C -0.834000 15.9994 + 10361 SYS 3454 TIP3 H1 A 0.417000 1.0079 + 10362 SYS 3454 TIP3 H2 A 0.417000 1.0079 + 10363 SYS 3455 TIP3 O1 C -0.834000 15.9994 + 10364 SYS 3455 TIP3 H1 A 0.417000 1.0079 + 10365 SYS 3455 TIP3 H2 A 0.417000 1.0079 + 10366 SYS 3456 TIP3 O1 C -0.834000 15.9994 + 10367 SYS 3456 TIP3 H1 A 0.417000 1.0079 + 10368 SYS 3456 TIP3 H2 A 0.417000 1.0079 + 10369 SYS 3457 TIP3 O1 C -0.834000 15.9994 + 10370 SYS 3457 TIP3 H1 A 0.417000 1.0079 + 10371 SYS 3457 TIP3 H2 A 0.417000 1.0079 + 10372 SYS 3458 TIP3 O1 C -0.834000 15.9994 + 10373 SYS 3458 TIP3 H1 A 0.417000 1.0079 + 10374 SYS 3458 TIP3 H2 A 0.417000 1.0079 + 10375 SYS 3459 TIP3 O1 C -0.834000 15.9994 + 10376 SYS 3459 TIP3 H1 A 0.417000 1.0079 + 10377 SYS 3459 TIP3 H2 A 0.417000 1.0079 + 10378 SYS 3460 TIP3 O1 C -0.834000 15.9994 + 10379 SYS 3460 TIP3 H1 A 0.417000 1.0079 + 10380 SYS 3460 TIP3 H2 A 0.417000 1.0079 + 10381 SYS 3461 TIP3 O1 C -0.834000 15.9994 + 10382 SYS 3461 TIP3 H1 A 0.417000 1.0079 + 10383 SYS 3461 TIP3 H2 A 0.417000 1.0079 + 10384 SYS 3462 TIP3 O1 C -0.834000 15.9994 + 10385 SYS 3462 TIP3 H1 A 0.417000 1.0079 + 10386 SYS 3462 TIP3 H2 A 0.417000 1.0079 + 10387 SYS 3463 TIP3 O1 C -0.834000 15.9994 + 10388 SYS 3463 TIP3 H1 A 0.417000 1.0079 + 10389 SYS 3463 TIP3 H2 A 0.417000 1.0079 + 10390 SYS 3464 TIP3 O1 C -0.834000 15.9994 + 10391 SYS 3464 TIP3 H1 A 0.417000 1.0079 + 10392 SYS 3464 TIP3 H2 A 0.417000 1.0079 + 10393 SYS 3465 TIP3 O1 C -0.834000 15.9994 + 10394 SYS 3465 TIP3 H1 A 0.417000 1.0079 + 10395 SYS 3465 TIP3 H2 A 0.417000 1.0079 + 10396 SYS 3466 TIP3 O1 C -0.834000 15.9994 + 10397 SYS 3466 TIP3 H1 A 0.417000 1.0079 + 10398 SYS 3466 TIP3 H2 A 0.417000 1.0079 + 10399 SYS 3467 TIP3 O1 C -0.834000 15.9994 + 10400 SYS 3467 TIP3 H1 A 0.417000 1.0079 + 10401 SYS 3467 TIP3 H2 A 0.417000 1.0079 + 10402 SYS 3468 TIP3 O1 C -0.834000 15.9994 + 10403 SYS 3468 TIP3 H1 A 0.417000 1.0079 + 10404 SYS 3468 TIP3 H2 A 0.417000 1.0079 + 10405 SYS 3469 TIP3 O1 C -0.834000 15.9994 + 10406 SYS 3469 TIP3 H1 A 0.417000 1.0079 + 10407 SYS 3469 TIP3 H2 A 0.417000 1.0079 + 10408 SYS 3470 TIP3 O1 C -0.834000 15.9994 + 10409 SYS 3470 TIP3 H1 A 0.417000 1.0079 + 10410 SYS 3470 TIP3 H2 A 0.417000 1.0079 + 10411 SYS 3471 TIP3 O1 C -0.834000 15.9994 + 10412 SYS 3471 TIP3 H1 A 0.417000 1.0079 + 10413 SYS 3471 TIP3 H2 A 0.417000 1.0079 + 10414 SYS 3472 TIP3 O1 C -0.834000 15.9994 + 10415 SYS 3472 TIP3 H1 A 0.417000 1.0079 + 10416 SYS 3472 TIP3 H2 A 0.417000 1.0079 + 10417 SYS 3473 TIP3 O1 C -0.834000 15.9994 + 10418 SYS 3473 TIP3 H1 A 0.417000 1.0079 + 10419 SYS 3473 TIP3 H2 A 0.417000 1.0079 + 10420 SYS 3474 TIP3 O1 C -0.834000 15.9994 + 10421 SYS 3474 TIP3 H1 A 0.417000 1.0079 + 10422 SYS 3474 TIP3 H2 A 0.417000 1.0079 + 10423 SYS 3475 TIP3 O1 C -0.834000 15.9994 + 10424 SYS 3475 TIP3 H1 A 0.417000 1.0079 + 10425 SYS 3475 TIP3 H2 A 0.417000 1.0079 + 10426 SYS 3476 TIP3 O1 C -0.834000 15.9994 + 10427 SYS 3476 TIP3 H1 A 0.417000 1.0079 + 10428 SYS 3476 TIP3 H2 A 0.417000 1.0079 + 10429 SYS 3477 TIP3 O1 C -0.834000 15.9994 + 10430 SYS 3477 TIP3 H1 A 0.417000 1.0079 + 10431 SYS 3477 TIP3 H2 A 0.417000 1.0079 + 10432 SYS 3478 TIP3 O1 C -0.834000 15.9994 + 10433 SYS 3478 TIP3 H1 A 0.417000 1.0079 + 10434 SYS 3478 TIP3 H2 A 0.417000 1.0079 + 10435 SYS 3479 TIP3 O1 C -0.834000 15.9994 + 10436 SYS 3479 TIP3 H1 A 0.417000 1.0079 + 10437 SYS 3479 TIP3 H2 A 0.417000 1.0079 + 10438 SYS 3480 TIP3 O1 C -0.834000 15.9994 + 10439 SYS 3480 TIP3 H1 A 0.417000 1.0079 + 10440 SYS 3480 TIP3 H2 A 0.417000 1.0079 + 10441 SYS 3481 TIP3 O1 C -0.834000 15.9994 + 10442 SYS 3481 TIP3 H1 A 0.417000 1.0079 + 10443 SYS 3481 TIP3 H2 A 0.417000 1.0079 + 10444 SYS 3482 TIP3 O1 C -0.834000 15.9994 + 10445 SYS 3482 TIP3 H1 A 0.417000 1.0079 + 10446 SYS 3482 TIP3 H2 A 0.417000 1.0079 + 10447 SYS 3483 TIP3 O1 C -0.834000 15.9994 + 10448 SYS 3483 TIP3 H1 A 0.417000 1.0079 + 10449 SYS 3483 TIP3 H2 A 0.417000 1.0079 + 10450 SYS 3484 TIP3 O1 C -0.834000 15.9994 + 10451 SYS 3484 TIP3 H1 A 0.417000 1.0079 + 10452 SYS 3484 TIP3 H2 A 0.417000 1.0079 + 10453 SYS 3485 TIP3 O1 C -0.834000 15.9994 + 10454 SYS 3485 TIP3 H1 A 0.417000 1.0079 + 10455 SYS 3485 TIP3 H2 A 0.417000 1.0079 + 10456 SYS 3486 TIP3 O1 C -0.834000 15.9994 + 10457 SYS 3486 TIP3 H1 A 0.417000 1.0079 + 10458 SYS 3486 TIP3 H2 A 0.417000 1.0079 + 10459 SYS 3487 TIP3 O1 C -0.834000 15.9994 + 10460 SYS 3487 TIP3 H1 A 0.417000 1.0079 + 10461 SYS 3487 TIP3 H2 A 0.417000 1.0079 + 10462 SYS 3488 TIP3 O1 C -0.834000 15.9994 + 10463 SYS 3488 TIP3 H1 A 0.417000 1.0079 + 10464 SYS 3488 TIP3 H2 A 0.417000 1.0079 + 10465 SYS 3489 TIP3 O1 C -0.834000 15.9994 + 10466 SYS 3489 TIP3 H1 A 0.417000 1.0079 + 10467 SYS 3489 TIP3 H2 A 0.417000 1.0079 + 10468 SYS 3490 TIP3 O1 C -0.834000 15.9994 + 10469 SYS 3490 TIP3 H1 A 0.417000 1.0079 + 10470 SYS 3490 TIP3 H2 A 0.417000 1.0079 + 10471 SYS 3491 TIP3 O1 C -0.834000 15.9994 + 10472 SYS 3491 TIP3 H1 A 0.417000 1.0079 + 10473 SYS 3491 TIP3 H2 A 0.417000 1.0079 + 10474 SYS 3492 TIP3 O1 C -0.834000 15.9994 + 10475 SYS 3492 TIP3 H1 A 0.417000 1.0079 + 10476 SYS 3492 TIP3 H2 A 0.417000 1.0079 + 10477 SYS 3493 TIP3 O1 C -0.834000 15.9994 + 10478 SYS 3493 TIP3 H1 A 0.417000 1.0079 + 10479 SYS 3493 TIP3 H2 A 0.417000 1.0079 + 10480 SYS 3494 TIP3 O1 C -0.834000 15.9994 + 10481 SYS 3494 TIP3 H1 A 0.417000 1.0079 + 10482 SYS 3494 TIP3 H2 A 0.417000 1.0079 + 10483 SYS 3495 TIP3 O1 C -0.834000 15.9994 + 10484 SYS 3495 TIP3 H1 A 0.417000 1.0079 + 10485 SYS 3495 TIP3 H2 A 0.417000 1.0079 + 10486 SYS 3496 TIP3 O1 C -0.834000 15.9994 + 10487 SYS 3496 TIP3 H1 A 0.417000 1.0079 + 10488 SYS 3496 TIP3 H2 A 0.417000 1.0079 + 10489 SYS 3497 TIP3 O1 C -0.834000 15.9994 + 10490 SYS 3497 TIP3 H1 A 0.417000 1.0079 + 10491 SYS 3497 TIP3 H2 A 0.417000 1.0079 + 10492 SYS 3498 TIP3 O1 C -0.834000 15.9994 + 10493 SYS 3498 TIP3 H1 A 0.417000 1.0079 + 10494 SYS 3498 TIP3 H2 A 0.417000 1.0079 + 10495 SYS 3499 TIP3 O1 C -0.834000 15.9994 + 10496 SYS 3499 TIP3 H1 A 0.417000 1.0079 + 10497 SYS 3499 TIP3 H2 A 0.417000 1.0079 + 10498 SYS 3500 TIP3 O1 C -0.834000 15.9994 + 10499 SYS 3500 TIP3 H1 A 0.417000 1.0079 + 10500 SYS 3500 TIP3 H2 A 0.417000 1.0079 + 10501 SYS 3501 TIP3 O1 C -0.834000 15.9994 + 10502 SYS 3501 TIP3 H1 A 0.417000 1.0079 + 10503 SYS 3501 TIP3 H2 A 0.417000 1.0079 + 10504 SYS 3502 TIP3 O1 C -0.834000 15.9994 + 10505 SYS 3502 TIP3 H1 A 0.417000 1.0079 + 10506 SYS 3502 TIP3 H2 A 0.417000 1.0079 + 10507 SYS 3503 TIP3 O1 C -0.834000 15.9994 + 10508 SYS 3503 TIP3 H1 A 0.417000 1.0079 + 10509 SYS 3503 TIP3 H2 A 0.417000 1.0079 + 10510 SYS 3504 TIP3 O1 C -0.834000 15.9994 + 10511 SYS 3504 TIP3 H1 A 0.417000 1.0079 + 10512 SYS 3504 TIP3 H2 A 0.417000 1.0079 + 10513 SYS 3505 TIP3 O1 C -0.834000 15.9994 + 10514 SYS 3505 TIP3 H1 A 0.417000 1.0079 + 10515 SYS 3505 TIP3 H2 A 0.417000 1.0079 + 10516 SYS 3506 TIP3 O1 C -0.834000 15.9994 + 10517 SYS 3506 TIP3 H1 A 0.417000 1.0079 + 10518 SYS 3506 TIP3 H2 A 0.417000 1.0079 + 10519 SYS 3507 TIP3 O1 C -0.834000 15.9994 + 10520 SYS 3507 TIP3 H1 A 0.417000 1.0079 + 10521 SYS 3507 TIP3 H2 A 0.417000 1.0079 + 10522 SYS 3508 TIP3 O1 C -0.834000 15.9994 + 10523 SYS 3508 TIP3 H1 A 0.417000 1.0079 + 10524 SYS 3508 TIP3 H2 A 0.417000 1.0079 + 10525 SYS 3509 TIP3 O1 C -0.834000 15.9994 + 10526 SYS 3509 TIP3 H1 A 0.417000 1.0079 + 10527 SYS 3509 TIP3 H2 A 0.417000 1.0079 + 10528 SYS 3510 TIP3 O1 C -0.834000 15.9994 + 10529 SYS 3510 TIP3 H1 A 0.417000 1.0079 + 10530 SYS 3510 TIP3 H2 A 0.417000 1.0079 + 10531 SYS 3511 TIP3 O1 C -0.834000 15.9994 + 10532 SYS 3511 TIP3 H1 A 0.417000 1.0079 + 10533 SYS 3511 TIP3 H2 A 0.417000 1.0079 + 10534 SYS 3512 TIP3 O1 C -0.834000 15.9994 + 10535 SYS 3512 TIP3 H1 A 0.417000 1.0079 + 10536 SYS 3512 TIP3 H2 A 0.417000 1.0079 + 10537 SYS 3513 TIP3 O1 C -0.834000 15.9994 + 10538 SYS 3513 TIP3 H1 A 0.417000 1.0079 + 10539 SYS 3513 TIP3 H2 A 0.417000 1.0079 + 10540 SYS 3514 TIP3 O1 C -0.834000 15.9994 + 10541 SYS 3514 TIP3 H1 A 0.417000 1.0079 + 10542 SYS 3514 TIP3 H2 A 0.417000 1.0079 + 10543 SYS 3515 TIP3 O1 C -0.834000 15.9994 + 10544 SYS 3515 TIP3 H1 A 0.417000 1.0079 + 10545 SYS 3515 TIP3 H2 A 0.417000 1.0079 + 10546 SYS 3516 TIP3 O1 C -0.834000 15.9994 + 10547 SYS 3516 TIP3 H1 A 0.417000 1.0079 + 10548 SYS 3516 TIP3 H2 A 0.417000 1.0079 + 10549 SYS 3517 TIP3 O1 C -0.834000 15.9994 + 10550 SYS 3517 TIP3 H1 A 0.417000 1.0079 + 10551 SYS 3517 TIP3 H2 A 0.417000 1.0079 + 10552 SYS 3518 TIP3 O1 C -0.834000 15.9994 + 10553 SYS 3518 TIP3 H1 A 0.417000 1.0079 + 10554 SYS 3518 TIP3 H2 A 0.417000 1.0079 + 10555 SYS 3519 TIP3 O1 C -0.834000 15.9994 + 10556 SYS 3519 TIP3 H1 A 0.417000 1.0079 + 10557 SYS 3519 TIP3 H2 A 0.417000 1.0079 + 10558 SYS 3520 TIP3 O1 C -0.834000 15.9994 + 10559 SYS 3520 TIP3 H1 A 0.417000 1.0079 + 10560 SYS 3520 TIP3 H2 A 0.417000 1.0079 + 10561 SYS 3521 TIP3 O1 C -0.834000 15.9994 + 10562 SYS 3521 TIP3 H1 A 0.417000 1.0079 + 10563 SYS 3521 TIP3 H2 A 0.417000 1.0079 + 10564 SYS 3522 TIP3 O1 C -0.834000 15.9994 + 10565 SYS 3522 TIP3 H1 A 0.417000 1.0079 + 10566 SYS 3522 TIP3 H2 A 0.417000 1.0079 + 10567 SYS 3523 TIP3 O1 C -0.834000 15.9994 + 10568 SYS 3523 TIP3 H1 A 0.417000 1.0079 + 10569 SYS 3523 TIP3 H2 A 0.417000 1.0079 + 10570 SYS 3524 TIP3 O1 C -0.834000 15.9994 + 10571 SYS 3524 TIP3 H1 A 0.417000 1.0079 + 10572 SYS 3524 TIP3 H2 A 0.417000 1.0079 + 10573 SYS 3525 TIP3 O1 C -0.834000 15.9994 + 10574 SYS 3525 TIP3 H1 A 0.417000 1.0079 + 10575 SYS 3525 TIP3 H2 A 0.417000 1.0079 + 10576 SYS 3526 TIP3 O1 C -0.834000 15.9994 + 10577 SYS 3526 TIP3 H1 A 0.417000 1.0079 + 10578 SYS 3526 TIP3 H2 A 0.417000 1.0079 + 10579 SYS 3527 TIP3 O1 C -0.834000 15.9994 + 10580 SYS 3527 TIP3 H1 A 0.417000 1.0079 + 10581 SYS 3527 TIP3 H2 A 0.417000 1.0079 + 10582 SYS 3528 TIP3 O1 C -0.834000 15.9994 + 10583 SYS 3528 TIP3 H1 A 0.417000 1.0079 + 10584 SYS 3528 TIP3 H2 A 0.417000 1.0079 + 10585 SYS 3529 TIP3 O1 C -0.834000 15.9994 + 10586 SYS 3529 TIP3 H1 A 0.417000 1.0079 + 10587 SYS 3529 TIP3 H2 A 0.417000 1.0079 + 10588 SYS 3530 TIP3 O1 C -0.834000 15.9994 + 10589 SYS 3530 TIP3 H1 A 0.417000 1.0079 + 10590 SYS 3530 TIP3 H2 A 0.417000 1.0079 + 10591 SYS 3531 TIP3 O1 C -0.834000 15.9994 + 10592 SYS 3531 TIP3 H1 A 0.417000 1.0079 + 10593 SYS 3531 TIP3 H2 A 0.417000 1.0079 + 10594 SYS 3532 TIP3 O1 C -0.834000 15.9994 + 10595 SYS 3532 TIP3 H1 A 0.417000 1.0079 + 10596 SYS 3532 TIP3 H2 A 0.417000 1.0079 + 10597 SYS 3533 TIP3 O1 C -0.834000 15.9994 + 10598 SYS 3533 TIP3 H1 A 0.417000 1.0079 + 10599 SYS 3533 TIP3 H2 A 0.417000 1.0079 + 10600 SYS 3534 TIP3 O1 C -0.834000 15.9994 + 10601 SYS 3534 TIP3 H1 A 0.417000 1.0079 + 10602 SYS 3534 TIP3 H2 A 0.417000 1.0079 + 10603 SYS 3535 TIP3 O1 C -0.834000 15.9994 + 10604 SYS 3535 TIP3 H1 A 0.417000 1.0079 + 10605 SYS 3535 TIP3 H2 A 0.417000 1.0079 + 10606 SYS 3536 TIP3 O1 C -0.834000 15.9994 + 10607 SYS 3536 TIP3 H1 A 0.417000 1.0079 + 10608 SYS 3536 TIP3 H2 A 0.417000 1.0079 + 10609 SYS 3537 TIP3 O1 C -0.834000 15.9994 + 10610 SYS 3537 TIP3 H1 A 0.417000 1.0079 + 10611 SYS 3537 TIP3 H2 A 0.417000 1.0079 + 10612 SYS 3538 TIP3 O1 C -0.834000 15.9994 + 10613 SYS 3538 TIP3 H1 A 0.417000 1.0079 + 10614 SYS 3538 TIP3 H2 A 0.417000 1.0079 + 10615 SYS 3539 TIP3 O1 C -0.834000 15.9994 + 10616 SYS 3539 TIP3 H1 A 0.417000 1.0079 + 10617 SYS 3539 TIP3 H2 A 0.417000 1.0079 + 10618 SYS 3540 TIP3 O1 C -0.834000 15.9994 + 10619 SYS 3540 TIP3 H1 A 0.417000 1.0079 + 10620 SYS 3540 TIP3 H2 A 0.417000 1.0079 + 10621 SYS 3541 TIP3 O1 C -0.834000 15.9994 + 10622 SYS 3541 TIP3 H1 A 0.417000 1.0079 + 10623 SYS 3541 TIP3 H2 A 0.417000 1.0079 + 10624 SYS 3542 TIP3 O1 C -0.834000 15.9994 + 10625 SYS 3542 TIP3 H1 A 0.417000 1.0079 + 10626 SYS 3542 TIP3 H2 A 0.417000 1.0079 + 10627 SYS 3543 TIP3 O1 C -0.834000 15.9994 + 10628 SYS 3543 TIP3 H1 A 0.417000 1.0079 + 10629 SYS 3543 TIP3 H2 A 0.417000 1.0079 + 10630 SYS 3544 TIP3 O1 C -0.834000 15.9994 + 10631 SYS 3544 TIP3 H1 A 0.417000 1.0079 + 10632 SYS 3544 TIP3 H2 A 0.417000 1.0079 + 10633 SYS 3545 TIP3 O1 C -0.834000 15.9994 + 10634 SYS 3545 TIP3 H1 A 0.417000 1.0079 + 10635 SYS 3545 TIP3 H2 A 0.417000 1.0079 + 10636 SYS 3546 TIP3 O1 C -0.834000 15.9994 + 10637 SYS 3546 TIP3 H1 A 0.417000 1.0079 + 10638 SYS 3546 TIP3 H2 A 0.417000 1.0079 + 10639 SYS 3547 TIP3 O1 C -0.834000 15.9994 + 10640 SYS 3547 TIP3 H1 A 0.417000 1.0079 + 10641 SYS 3547 TIP3 H2 A 0.417000 1.0079 + 10642 SYS 3548 TIP3 O1 C -0.834000 15.9994 + 10643 SYS 3548 TIP3 H1 A 0.417000 1.0079 + 10644 SYS 3548 TIP3 H2 A 0.417000 1.0079 + 10645 SYS 3549 TIP3 O1 C -0.834000 15.9994 + 10646 SYS 3549 TIP3 H1 A 0.417000 1.0079 + 10647 SYS 3549 TIP3 H2 A 0.417000 1.0079 + 10648 SYS 3550 TIP3 O1 C -0.834000 15.9994 + 10649 SYS 3550 TIP3 H1 A 0.417000 1.0079 + 10650 SYS 3550 TIP3 H2 A 0.417000 1.0079 + 10651 SYS 3551 TIP3 O1 C -0.834000 15.9994 + 10652 SYS 3551 TIP3 H1 A 0.417000 1.0079 + 10653 SYS 3551 TIP3 H2 A 0.417000 1.0079 + 10654 SYS 3552 TIP3 O1 C -0.834000 15.9994 + 10655 SYS 3552 TIP3 H1 A 0.417000 1.0079 + 10656 SYS 3552 TIP3 H2 A 0.417000 1.0079 + 10657 SYS 3553 TIP3 O1 C -0.834000 15.9994 + 10658 SYS 3553 TIP3 H1 A 0.417000 1.0079 + 10659 SYS 3553 TIP3 H2 A 0.417000 1.0079 + 10660 SYS 3554 TIP3 O1 C -0.834000 15.9994 + 10661 SYS 3554 TIP3 H1 A 0.417000 1.0079 + 10662 SYS 3554 TIP3 H2 A 0.417000 1.0079 + 10663 SYS 3555 TIP3 O1 C -0.834000 15.9994 + 10664 SYS 3555 TIP3 H1 A 0.417000 1.0079 + 10665 SYS 3555 TIP3 H2 A 0.417000 1.0079 + 10666 SYS 3556 TIP3 O1 C -0.834000 15.9994 + 10667 SYS 3556 TIP3 H1 A 0.417000 1.0079 + 10668 SYS 3556 TIP3 H2 A 0.417000 1.0079 + 10669 SYS 3557 TIP3 O1 C -0.834000 15.9994 + 10670 SYS 3557 TIP3 H1 A 0.417000 1.0079 + 10671 SYS 3557 TIP3 H2 A 0.417000 1.0079 + 10672 SYS 3558 TIP3 O1 C -0.834000 15.9994 + 10673 SYS 3558 TIP3 H1 A 0.417000 1.0079 + 10674 SYS 3558 TIP3 H2 A 0.417000 1.0079 + 10675 SYS 3559 TIP3 O1 C -0.834000 15.9994 + 10676 SYS 3559 TIP3 H1 A 0.417000 1.0079 + 10677 SYS 3559 TIP3 H2 A 0.417000 1.0079 + 10678 SYS 3560 TIP3 O1 C -0.834000 15.9994 + 10679 SYS 3560 TIP3 H1 A 0.417000 1.0079 + 10680 SYS 3560 TIP3 H2 A 0.417000 1.0079 + 10681 SYS 3561 TIP3 O1 C -0.834000 15.9994 + 10682 SYS 3561 TIP3 H1 A 0.417000 1.0079 + 10683 SYS 3561 TIP3 H2 A 0.417000 1.0079 + 10684 SYS 3562 TIP3 O1 C -0.834000 15.9994 + 10685 SYS 3562 TIP3 H1 A 0.417000 1.0079 + 10686 SYS 3562 TIP3 H2 A 0.417000 1.0079 + 10687 SYS 3563 TIP3 O1 C -0.834000 15.9994 + 10688 SYS 3563 TIP3 H1 A 0.417000 1.0079 + 10689 SYS 3563 TIP3 H2 A 0.417000 1.0079 + 10690 SYS 3564 TIP3 O1 C -0.834000 15.9994 + 10691 SYS 3564 TIP3 H1 A 0.417000 1.0079 + 10692 SYS 3564 TIP3 H2 A 0.417000 1.0079 + 10693 SYS 3565 TIP3 O1 C -0.834000 15.9994 + 10694 SYS 3565 TIP3 H1 A 0.417000 1.0079 + 10695 SYS 3565 TIP3 H2 A 0.417000 1.0079 + 10696 SYS 3566 TIP3 O1 C -0.834000 15.9994 + 10697 SYS 3566 TIP3 H1 A 0.417000 1.0079 + 10698 SYS 3566 TIP3 H2 A 0.417000 1.0079 + 10699 SYS 3567 TIP3 O1 C -0.834000 15.9994 + 10700 SYS 3567 TIP3 H1 A 0.417000 1.0079 + 10701 SYS 3567 TIP3 H2 A 0.417000 1.0079 + 10702 SYS 3568 TIP3 O1 C -0.834000 15.9994 + 10703 SYS 3568 TIP3 H1 A 0.417000 1.0079 + 10704 SYS 3568 TIP3 H2 A 0.417000 1.0079 + 10705 SYS 3569 TIP3 O1 C -0.834000 15.9994 + 10706 SYS 3569 TIP3 H1 A 0.417000 1.0079 + 10707 SYS 3569 TIP3 H2 A 0.417000 1.0079 + 10708 SYS 3570 TIP3 O1 C -0.834000 15.9994 + 10709 SYS 3570 TIP3 H1 A 0.417000 1.0079 + 10710 SYS 3570 TIP3 H2 A 0.417000 1.0079 + 10711 SYS 3571 TIP3 O1 C -0.834000 15.9994 + 10712 SYS 3571 TIP3 H1 A 0.417000 1.0079 + 10713 SYS 3571 TIP3 H2 A 0.417000 1.0079 + 10714 SYS 3572 TIP3 O1 C -0.834000 15.9994 + 10715 SYS 3572 TIP3 H1 A 0.417000 1.0079 + 10716 SYS 3572 TIP3 H2 A 0.417000 1.0079 + 10717 SYS 3573 TIP3 O1 C -0.834000 15.9994 + 10718 SYS 3573 TIP3 H1 A 0.417000 1.0079 + 10719 SYS 3573 TIP3 H2 A 0.417000 1.0079 + 10720 SYS 3574 TIP3 O1 C -0.834000 15.9994 + 10721 SYS 3574 TIP3 H1 A 0.417000 1.0079 + 10722 SYS 3574 TIP3 H2 A 0.417000 1.0079 + 10723 SYS 3575 TIP3 O1 C -0.834000 15.9994 + 10724 SYS 3575 TIP3 H1 A 0.417000 1.0079 + 10725 SYS 3575 TIP3 H2 A 0.417000 1.0079 + 10726 SYS 3576 TIP3 O1 C -0.834000 15.9994 + 10727 SYS 3576 TIP3 H1 A 0.417000 1.0079 + 10728 SYS 3576 TIP3 H2 A 0.417000 1.0079 + 10729 SYS 3577 TIP3 O1 C -0.834000 15.9994 + 10730 SYS 3577 TIP3 H1 A 0.417000 1.0079 + 10731 SYS 3577 TIP3 H2 A 0.417000 1.0079 + 10732 SYS 3578 TIP3 O1 C -0.834000 15.9994 + 10733 SYS 3578 TIP3 H1 A 0.417000 1.0079 + 10734 SYS 3578 TIP3 H2 A 0.417000 1.0079 + 10735 SYS 3579 TIP3 O1 C -0.834000 15.9994 + 10736 SYS 3579 TIP3 H1 A 0.417000 1.0079 + 10737 SYS 3579 TIP3 H2 A 0.417000 1.0079 + 10738 SYS 3580 TIP3 O1 C -0.834000 15.9994 + 10739 SYS 3580 TIP3 H1 A 0.417000 1.0079 + 10740 SYS 3580 TIP3 H2 A 0.417000 1.0079 + 10741 SYS 3581 TIP3 O1 C -0.834000 15.9994 + 10742 SYS 3581 TIP3 H1 A 0.417000 1.0079 + 10743 SYS 3581 TIP3 H2 A 0.417000 1.0079 + 10744 SYS 3582 TIP3 O1 C -0.834000 15.9994 + 10745 SYS 3582 TIP3 H1 A 0.417000 1.0079 + 10746 SYS 3582 TIP3 H2 A 0.417000 1.0079 + 10747 SYS 3583 TIP3 O1 C -0.834000 15.9994 + 10748 SYS 3583 TIP3 H1 A 0.417000 1.0079 + 10749 SYS 3583 TIP3 H2 A 0.417000 1.0079 + 10750 SYS 3584 TIP3 O1 C -0.834000 15.9994 + 10751 SYS 3584 TIP3 H1 A 0.417000 1.0079 + 10752 SYS 3584 TIP3 H2 A 0.417000 1.0079 + 10753 SYS 3585 TIP3 O1 C -0.834000 15.9994 + 10754 SYS 3585 TIP3 H1 A 0.417000 1.0079 + 10755 SYS 3585 TIP3 H2 A 0.417000 1.0079 + 10756 SYS 3586 TIP3 O1 C -0.834000 15.9994 + 10757 SYS 3586 TIP3 H1 A 0.417000 1.0079 + 10758 SYS 3586 TIP3 H2 A 0.417000 1.0079 + 10759 SYS 3587 TIP3 O1 C -0.834000 15.9994 + 10760 SYS 3587 TIP3 H1 A 0.417000 1.0079 + 10761 SYS 3587 TIP3 H2 A 0.417000 1.0079 + 10762 SYS 3588 TIP3 O1 C -0.834000 15.9994 + 10763 SYS 3588 TIP3 H1 A 0.417000 1.0079 + 10764 SYS 3588 TIP3 H2 A 0.417000 1.0079 + 10765 SYS 3589 TIP3 O1 C -0.834000 15.9994 + 10766 SYS 3589 TIP3 H1 A 0.417000 1.0079 + 10767 SYS 3589 TIP3 H2 A 0.417000 1.0079 + 10768 SYS 3590 TIP3 O1 C -0.834000 15.9994 + 10769 SYS 3590 TIP3 H1 A 0.417000 1.0079 + 10770 SYS 3590 TIP3 H2 A 0.417000 1.0079 + 10771 SYS 3591 TIP3 O1 C -0.834000 15.9994 + 10772 SYS 3591 TIP3 H1 A 0.417000 1.0079 + 10773 SYS 3591 TIP3 H2 A 0.417000 1.0079 + 10774 SYS 3592 TIP3 O1 C -0.834000 15.9994 + 10775 SYS 3592 TIP3 H1 A 0.417000 1.0079 + 10776 SYS 3592 TIP3 H2 A 0.417000 1.0079 + 10777 SYS 3593 TIP3 O1 C -0.834000 15.9994 + 10778 SYS 3593 TIP3 H1 A 0.417000 1.0079 + 10779 SYS 3593 TIP3 H2 A 0.417000 1.0079 + 10780 SYS 3594 TIP3 O1 C -0.834000 15.9994 + 10781 SYS 3594 TIP3 H1 A 0.417000 1.0079 + 10782 SYS 3594 TIP3 H2 A 0.417000 1.0079 + 10783 SYS 3595 TIP3 O1 C -0.834000 15.9994 + 10784 SYS 3595 TIP3 H1 A 0.417000 1.0079 + 10785 SYS 3595 TIP3 H2 A 0.417000 1.0079 + 10786 SYS 3596 TIP3 O1 C -0.834000 15.9994 + 10787 SYS 3596 TIP3 H1 A 0.417000 1.0079 + 10788 SYS 3596 TIP3 H2 A 0.417000 1.0079 + 10789 SYS 3597 TIP3 O1 C -0.834000 15.9994 + 10790 SYS 3597 TIP3 H1 A 0.417000 1.0079 + 10791 SYS 3597 TIP3 H2 A 0.417000 1.0079 + 10792 SYS 3598 TIP3 O1 C -0.834000 15.9994 + 10793 SYS 3598 TIP3 H1 A 0.417000 1.0079 + 10794 SYS 3598 TIP3 H2 A 0.417000 1.0079 + 10795 SYS 3599 TIP3 O1 C -0.834000 15.9994 + 10796 SYS 3599 TIP3 H1 A 0.417000 1.0079 + 10797 SYS 3599 TIP3 H2 A 0.417000 1.0079 + 10798 SYS 3600 TIP3 O1 C -0.834000 15.9994 + 10799 SYS 3600 TIP3 H1 A 0.417000 1.0079 + 10800 SYS 3600 TIP3 H2 A 0.417000 1.0079 + 10801 SYS 3601 TIP3 O1 C -0.834000 15.9994 + 10802 SYS 3601 TIP3 H1 A 0.417000 1.0079 + 10803 SYS 3601 TIP3 H2 A 0.417000 1.0079 + 10804 SYS 3602 TIP3 O1 C -0.834000 15.9994 + 10805 SYS 3602 TIP3 H1 A 0.417000 1.0079 + 10806 SYS 3602 TIP3 H2 A 0.417000 1.0079 + 10807 SYS 3603 TIP3 O1 C -0.834000 15.9994 + 10808 SYS 3603 TIP3 H1 A 0.417000 1.0079 + 10809 SYS 3603 TIP3 H2 A 0.417000 1.0079 + 10810 SYS 3604 TIP3 O1 C -0.834000 15.9994 + 10811 SYS 3604 TIP3 H1 A 0.417000 1.0079 + 10812 SYS 3604 TIP3 H2 A 0.417000 1.0079 + 10813 SYS 3605 TIP3 O1 C -0.834000 15.9994 + 10814 SYS 3605 TIP3 H1 A 0.417000 1.0079 + 10815 SYS 3605 TIP3 H2 A 0.417000 1.0079 + 10816 SYS 3606 TIP3 O1 C -0.834000 15.9994 + 10817 SYS 3606 TIP3 H1 A 0.417000 1.0079 + 10818 SYS 3606 TIP3 H2 A 0.417000 1.0079 + 10819 SYS 3607 TIP3 O1 C -0.834000 15.9994 + 10820 SYS 3607 TIP3 H1 A 0.417000 1.0079 + 10821 SYS 3607 TIP3 H2 A 0.417000 1.0079 + 10822 SYS 3608 TIP3 O1 C -0.834000 15.9994 + 10823 SYS 3608 TIP3 H1 A 0.417000 1.0079 + 10824 SYS 3608 TIP3 H2 A 0.417000 1.0079 + 10825 SYS 3609 TIP3 O1 C -0.834000 15.9994 + 10826 SYS 3609 TIP3 H1 A 0.417000 1.0079 + 10827 SYS 3609 TIP3 H2 A 0.417000 1.0079 + 10828 SYS 3610 TIP3 O1 C -0.834000 15.9994 + 10829 SYS 3610 TIP3 H1 A 0.417000 1.0079 + 10830 SYS 3610 TIP3 H2 A 0.417000 1.0079 + 10831 SYS 3611 TIP3 O1 C -0.834000 15.9994 + 10832 SYS 3611 TIP3 H1 A 0.417000 1.0079 + 10833 SYS 3611 TIP3 H2 A 0.417000 1.0079 + 10834 SYS 3612 TIP3 O1 C -0.834000 15.9994 + 10835 SYS 3612 TIP3 H1 A 0.417000 1.0079 + 10836 SYS 3612 TIP3 H2 A 0.417000 1.0079 + 10837 SYS 3613 TIP3 O1 C -0.834000 15.9994 + 10838 SYS 3613 TIP3 H1 A 0.417000 1.0079 + 10839 SYS 3613 TIP3 H2 A 0.417000 1.0079 + 10840 SYS 3614 TIP3 O1 C -0.834000 15.9994 + 10841 SYS 3614 TIP3 H1 A 0.417000 1.0079 + 10842 SYS 3614 TIP3 H2 A 0.417000 1.0079 + 10843 SYS 3615 TIP3 O1 C -0.834000 15.9994 + 10844 SYS 3615 TIP3 H1 A 0.417000 1.0079 + 10845 SYS 3615 TIP3 H2 A 0.417000 1.0079 + 10846 SYS 3616 TIP3 O1 C -0.834000 15.9994 + 10847 SYS 3616 TIP3 H1 A 0.417000 1.0079 + 10848 SYS 3616 TIP3 H2 A 0.417000 1.0079 + 10849 SYS 3617 TIP3 O1 C -0.834000 15.9994 + 10850 SYS 3617 TIP3 H1 A 0.417000 1.0079 + 10851 SYS 3617 TIP3 H2 A 0.417000 1.0079 + 10852 SYS 3618 TIP3 O1 C -0.834000 15.9994 + 10853 SYS 3618 TIP3 H1 A 0.417000 1.0079 + 10854 SYS 3618 TIP3 H2 A 0.417000 1.0079 + 10855 SYS 3619 TIP3 O1 C -0.834000 15.9994 + 10856 SYS 3619 TIP3 H1 A 0.417000 1.0079 + 10857 SYS 3619 TIP3 H2 A 0.417000 1.0079 + 10858 SYS 3620 TIP3 O1 C -0.834000 15.9994 + 10859 SYS 3620 TIP3 H1 A 0.417000 1.0079 + 10860 SYS 3620 TIP3 H2 A 0.417000 1.0079 + 10861 SYS 3621 TIP3 O1 C -0.834000 15.9994 + 10862 SYS 3621 TIP3 H1 A 0.417000 1.0079 + 10863 SYS 3621 TIP3 H2 A 0.417000 1.0079 + 10864 SYS 3622 TIP3 O1 C -0.834000 15.9994 + 10865 SYS 3622 TIP3 H1 A 0.417000 1.0079 + 10866 SYS 3622 TIP3 H2 A 0.417000 1.0079 + 10867 SYS 3623 TIP3 O1 C -0.834000 15.9994 + 10868 SYS 3623 TIP3 H1 A 0.417000 1.0079 + 10869 SYS 3623 TIP3 H2 A 0.417000 1.0079 + 10870 SYS 3624 TIP3 O1 C -0.834000 15.9994 + 10871 SYS 3624 TIP3 H1 A 0.417000 1.0079 + 10872 SYS 3624 TIP3 H2 A 0.417000 1.0079 + 10873 SYS 3625 TIP3 O1 C -0.834000 15.9994 + 10874 SYS 3625 TIP3 H1 A 0.417000 1.0079 + 10875 SYS 3625 TIP3 H2 A 0.417000 1.0079 + 10876 SYS 3626 TIP3 O1 C -0.834000 15.9994 + 10877 SYS 3626 TIP3 H1 A 0.417000 1.0079 + 10878 SYS 3626 TIP3 H2 A 0.417000 1.0079 + 10879 SYS 3627 TIP3 O1 C -0.834000 15.9994 + 10880 SYS 3627 TIP3 H1 A 0.417000 1.0079 + 10881 SYS 3627 TIP3 H2 A 0.417000 1.0079 + 10882 SYS 3628 TIP3 O1 C -0.834000 15.9994 + 10883 SYS 3628 TIP3 H1 A 0.417000 1.0079 + 10884 SYS 3628 TIP3 H2 A 0.417000 1.0079 + 10885 SYS 3629 TIP3 O1 C -0.834000 15.9994 + 10886 SYS 3629 TIP3 H1 A 0.417000 1.0079 + 10887 SYS 3629 TIP3 H2 A 0.417000 1.0079 + 10888 SYS 3630 TIP3 O1 C -0.834000 15.9994 + 10889 SYS 3630 TIP3 H1 A 0.417000 1.0079 + 10890 SYS 3630 TIP3 H2 A 0.417000 1.0079 + 10891 SYS 3631 TIP3 O1 C -0.834000 15.9994 + 10892 SYS 3631 TIP3 H1 A 0.417000 1.0079 + 10893 SYS 3631 TIP3 H2 A 0.417000 1.0079 + 10894 SYS 3632 TIP3 O1 C -0.834000 15.9994 + 10895 SYS 3632 TIP3 H1 A 0.417000 1.0079 + 10896 SYS 3632 TIP3 H2 A 0.417000 1.0079 + 10897 SYS 3633 TIP3 O1 C -0.834000 15.9994 + 10898 SYS 3633 TIP3 H1 A 0.417000 1.0079 + 10899 SYS 3633 TIP3 H2 A 0.417000 1.0079 + 10900 SYS 3634 TIP3 O1 C -0.834000 15.9994 + 10901 SYS 3634 TIP3 H1 A 0.417000 1.0079 + 10902 SYS 3634 TIP3 H2 A 0.417000 1.0079 + 10903 SYS 3635 TIP3 O1 C -0.834000 15.9994 + 10904 SYS 3635 TIP3 H1 A 0.417000 1.0079 + 10905 SYS 3635 TIP3 H2 A 0.417000 1.0079 + 10906 SYS 3636 TIP3 O1 C -0.834000 15.9994 + 10907 SYS 3636 TIP3 H1 A 0.417000 1.0079 + 10908 SYS 3636 TIP3 H2 A 0.417000 1.0079 + 10909 SYS 3637 TIP3 O1 C -0.834000 15.9994 + 10910 SYS 3637 TIP3 H1 A 0.417000 1.0079 + 10911 SYS 3637 TIP3 H2 A 0.417000 1.0079 + 10912 SYS 3638 TIP3 O1 C -0.834000 15.9994 + 10913 SYS 3638 TIP3 H1 A 0.417000 1.0079 + 10914 SYS 3638 TIP3 H2 A 0.417000 1.0079 + 10915 SYS 3639 TIP3 O1 C -0.834000 15.9994 + 10916 SYS 3639 TIP3 H1 A 0.417000 1.0079 + 10917 SYS 3639 TIP3 H2 A 0.417000 1.0079 + 10918 SYS 3640 TIP3 O1 C -0.834000 15.9994 + 10919 SYS 3640 TIP3 H1 A 0.417000 1.0079 + 10920 SYS 3640 TIP3 H2 A 0.417000 1.0079 + 10921 SYS 3641 TIP3 O1 C -0.834000 15.9994 + 10922 SYS 3641 TIP3 H1 A 0.417000 1.0079 + 10923 SYS 3641 TIP3 H2 A 0.417000 1.0079 + 10924 SYS 3642 TIP3 O1 C -0.834000 15.9994 + 10925 SYS 3642 TIP3 H1 A 0.417000 1.0079 + 10926 SYS 3642 TIP3 H2 A 0.417000 1.0079 + 10927 SYS 3643 TIP3 O1 C -0.834000 15.9994 + 10928 SYS 3643 TIP3 H1 A 0.417000 1.0079 + 10929 SYS 3643 TIP3 H2 A 0.417000 1.0079 + 10930 SYS 3644 TIP3 O1 C -0.834000 15.9994 + 10931 SYS 3644 TIP3 H1 A 0.417000 1.0079 + 10932 SYS 3644 TIP3 H2 A 0.417000 1.0079 + 10933 SYS 3645 TIP3 O1 C -0.834000 15.9994 + 10934 SYS 3645 TIP3 H1 A 0.417000 1.0079 + 10935 SYS 3645 TIP3 H2 A 0.417000 1.0079 + 10936 SYS 3646 TIP3 O1 C -0.834000 15.9994 + 10937 SYS 3646 TIP3 H1 A 0.417000 1.0079 + 10938 SYS 3646 TIP3 H2 A 0.417000 1.0079 + 10939 SYS 3647 TIP3 O1 C -0.834000 15.9994 + 10940 SYS 3647 TIP3 H1 A 0.417000 1.0079 + 10941 SYS 3647 TIP3 H2 A 0.417000 1.0079 + 10942 SYS 3648 TIP3 O1 C -0.834000 15.9994 + 10943 SYS 3648 TIP3 H1 A 0.417000 1.0079 + 10944 SYS 3648 TIP3 H2 A 0.417000 1.0079 + 10945 SYS 3649 TIP3 O1 C -0.834000 15.9994 + 10946 SYS 3649 TIP3 H1 A 0.417000 1.0079 + 10947 SYS 3649 TIP3 H2 A 0.417000 1.0079 + 10948 SYS 3650 TIP3 O1 C -0.834000 15.9994 + 10949 SYS 3650 TIP3 H1 A 0.417000 1.0079 + 10950 SYS 3650 TIP3 H2 A 0.417000 1.0079 + 10951 SYS 3651 TIP3 O1 C -0.834000 15.9994 + 10952 SYS 3651 TIP3 H1 A 0.417000 1.0079 + 10953 SYS 3651 TIP3 H2 A 0.417000 1.0079 + 10954 SYS 3652 TIP3 O1 C -0.834000 15.9994 + 10955 SYS 3652 TIP3 H1 A 0.417000 1.0079 + 10956 SYS 3652 TIP3 H2 A 0.417000 1.0079 + 10957 SYS 3653 TIP3 O1 C -0.834000 15.9994 + 10958 SYS 3653 TIP3 H1 A 0.417000 1.0079 + 10959 SYS 3653 TIP3 H2 A 0.417000 1.0079 + 10960 SYS 3654 TIP3 O1 C -0.834000 15.9994 + 10961 SYS 3654 TIP3 H1 A 0.417000 1.0079 + 10962 SYS 3654 TIP3 H2 A 0.417000 1.0079 + 10963 SYS 3655 TIP3 O1 C -0.834000 15.9994 + 10964 SYS 3655 TIP3 H1 A 0.417000 1.0079 + 10965 SYS 3655 TIP3 H2 A 0.417000 1.0079 + 10966 SYS 3656 TIP3 O1 C -0.834000 15.9994 + 10967 SYS 3656 TIP3 H1 A 0.417000 1.0079 + 10968 SYS 3656 TIP3 H2 A 0.417000 1.0079 + 10969 SYS 3657 TIP3 O1 C -0.834000 15.9994 + 10970 SYS 3657 TIP3 H1 A 0.417000 1.0079 + 10971 SYS 3657 TIP3 H2 A 0.417000 1.0079 + 10972 SYS 3658 TIP3 O1 C -0.834000 15.9994 + 10973 SYS 3658 TIP3 H1 A 0.417000 1.0079 + 10974 SYS 3658 TIP3 H2 A 0.417000 1.0079 + 10975 SYS 3659 TIP3 O1 C -0.834000 15.9994 + 10976 SYS 3659 TIP3 H1 A 0.417000 1.0079 + 10977 SYS 3659 TIP3 H2 A 0.417000 1.0079 + 10978 SYS 3660 TIP3 O1 C -0.834000 15.9994 + 10979 SYS 3660 TIP3 H1 A 0.417000 1.0079 + 10980 SYS 3660 TIP3 H2 A 0.417000 1.0079 + 10981 SYS 3661 TIP3 O1 C -0.834000 15.9994 + 10982 SYS 3661 TIP3 H1 A 0.417000 1.0079 + 10983 SYS 3661 TIP3 H2 A 0.417000 1.0079 + 10984 SYS 3662 TIP3 O1 C -0.834000 15.9994 + 10985 SYS 3662 TIP3 H1 A 0.417000 1.0079 + 10986 SYS 3662 TIP3 H2 A 0.417000 1.0079 + 10987 SYS 3663 TIP3 O1 C -0.834000 15.9994 + 10988 SYS 3663 TIP3 H1 A 0.417000 1.0079 + 10989 SYS 3663 TIP3 H2 A 0.417000 1.0079 + 10990 SYS 3664 TIP3 O1 C -0.834000 15.9994 + 10991 SYS 3664 TIP3 H1 A 0.417000 1.0079 + 10992 SYS 3664 TIP3 H2 A 0.417000 1.0079 + 10993 SYS 3665 TIP3 O1 C -0.834000 15.9994 + 10994 SYS 3665 TIP3 H1 A 0.417000 1.0079 + 10995 SYS 3665 TIP3 H2 A 0.417000 1.0079 + 10996 SYS 3666 TIP3 O1 C -0.834000 15.9994 + 10997 SYS 3666 TIP3 H1 A 0.417000 1.0079 + 10998 SYS 3666 TIP3 H2 A 0.417000 1.0079 + 10999 SYS 3667 TIP3 O1 C -0.834000 15.9994 + 11000 SYS 3667 TIP3 H1 A 0.417000 1.0079 + 11001 SYS 3667 TIP3 H2 A 0.417000 1.0079 + 11002 SYS 3668 TIP3 O1 C -0.834000 15.9994 + 11003 SYS 3668 TIP3 H1 A 0.417000 1.0079 + 11004 SYS 3668 TIP3 H2 A 0.417000 1.0079 + 11005 SYS 3669 TIP3 O1 C -0.834000 15.9994 + 11006 SYS 3669 TIP3 H1 A 0.417000 1.0079 + 11007 SYS 3669 TIP3 H2 A 0.417000 1.0079 + 11008 SYS 3670 TIP3 O1 C -0.834000 15.9994 + 11009 SYS 3670 TIP3 H1 A 0.417000 1.0079 + 11010 SYS 3670 TIP3 H2 A 0.417000 1.0079 + 11011 SYS 3671 TIP3 O1 C -0.834000 15.9994 + 11012 SYS 3671 TIP3 H1 A 0.417000 1.0079 + 11013 SYS 3671 TIP3 H2 A 0.417000 1.0079 + 11014 SYS 3672 TIP3 O1 C -0.834000 15.9994 + 11015 SYS 3672 TIP3 H1 A 0.417000 1.0079 + 11016 SYS 3672 TIP3 H2 A 0.417000 1.0079 + 11017 SYS 3673 TIP3 O1 C -0.834000 15.9994 + 11018 SYS 3673 TIP3 H1 A 0.417000 1.0079 + 11019 SYS 3673 TIP3 H2 A 0.417000 1.0079 + 11020 SYS 3674 TIP3 O1 C -0.834000 15.9994 + 11021 SYS 3674 TIP3 H1 A 0.417000 1.0079 + 11022 SYS 3674 TIP3 H2 A 0.417000 1.0079 + 11023 SYS 3675 TIP3 O1 C -0.834000 15.9994 + 11024 SYS 3675 TIP3 H1 A 0.417000 1.0079 + 11025 SYS 3675 TIP3 H2 A 0.417000 1.0079 + 11026 SYS 3676 TIP3 O1 C -0.834000 15.9994 + 11027 SYS 3676 TIP3 H1 A 0.417000 1.0079 + 11028 SYS 3676 TIP3 H2 A 0.417000 1.0079 + 11029 SYS 3677 TIP3 O1 C -0.834000 15.9994 + 11030 SYS 3677 TIP3 H1 A 0.417000 1.0079 + 11031 SYS 3677 TIP3 H2 A 0.417000 1.0079 + 11032 SYS 3678 TIP3 O1 C -0.834000 15.9994 + 11033 SYS 3678 TIP3 H1 A 0.417000 1.0079 + 11034 SYS 3678 TIP3 H2 A 0.417000 1.0079 + 11035 SYS 3679 TIP3 O1 C -0.834000 15.9994 + 11036 SYS 3679 TIP3 H1 A 0.417000 1.0079 + 11037 SYS 3679 TIP3 H2 A 0.417000 1.0079 + 11038 SYS 3680 TIP3 O1 C -0.834000 15.9994 + 11039 SYS 3680 TIP3 H1 A 0.417000 1.0079 + 11040 SYS 3680 TIP3 H2 A 0.417000 1.0079 + 11041 SYS 3681 TIP3 O1 C -0.834000 15.9994 + 11042 SYS 3681 TIP3 H1 A 0.417000 1.0079 + 11043 SYS 3681 TIP3 H2 A 0.417000 1.0079 + 11044 SYS 3682 TIP3 O1 C -0.834000 15.9994 + 11045 SYS 3682 TIP3 H1 A 0.417000 1.0079 + 11046 SYS 3682 TIP3 H2 A 0.417000 1.0079 + 11047 SYS 3683 TIP3 O1 C -0.834000 15.9994 + 11048 SYS 3683 TIP3 H1 A 0.417000 1.0079 + 11049 SYS 3683 TIP3 H2 A 0.417000 1.0079 + 11050 SYS 3684 TIP3 O1 C -0.834000 15.9994 + 11051 SYS 3684 TIP3 H1 A 0.417000 1.0079 + 11052 SYS 3684 TIP3 H2 A 0.417000 1.0079 + 11053 SYS 3685 TIP3 O1 C -0.834000 15.9994 + 11054 SYS 3685 TIP3 H1 A 0.417000 1.0079 + 11055 SYS 3685 TIP3 H2 A 0.417000 1.0079 + 11056 SYS 3686 TIP3 O1 C -0.834000 15.9994 + 11057 SYS 3686 TIP3 H1 A 0.417000 1.0079 + 11058 SYS 3686 TIP3 H2 A 0.417000 1.0079 + 11059 SYS 3687 TIP3 O1 C -0.834000 15.9994 + 11060 SYS 3687 TIP3 H1 A 0.417000 1.0079 + 11061 SYS 3687 TIP3 H2 A 0.417000 1.0079 + 11062 SYS 3688 TIP3 O1 C -0.834000 15.9994 + 11063 SYS 3688 TIP3 H1 A 0.417000 1.0079 + 11064 SYS 3688 TIP3 H2 A 0.417000 1.0079 + 11065 SYS 3689 TIP3 O1 C -0.834000 15.9994 + 11066 SYS 3689 TIP3 H1 A 0.417000 1.0079 + 11067 SYS 3689 TIP3 H2 A 0.417000 1.0079 + 11068 SYS 3690 TIP3 O1 C -0.834000 15.9994 + 11069 SYS 3690 TIP3 H1 A 0.417000 1.0079 + 11070 SYS 3690 TIP3 H2 A 0.417000 1.0079 + 11071 SYS 3691 TIP3 O1 C -0.834000 15.9994 + 11072 SYS 3691 TIP3 H1 A 0.417000 1.0079 + 11073 SYS 3691 TIP3 H2 A 0.417000 1.0079 + 11074 SYS 3692 TIP3 O1 C -0.834000 15.9994 + 11075 SYS 3692 TIP3 H1 A 0.417000 1.0079 + 11076 SYS 3692 TIP3 H2 A 0.417000 1.0079 + 11077 SYS 3693 TIP3 O1 C -0.834000 15.9994 + 11078 SYS 3693 TIP3 H1 A 0.417000 1.0079 + 11079 SYS 3693 TIP3 H2 A 0.417000 1.0079 + 11080 SYS 3694 TIP3 O1 C -0.834000 15.9994 + 11081 SYS 3694 TIP3 H1 A 0.417000 1.0079 + 11082 SYS 3694 TIP3 H2 A 0.417000 1.0079 + 11083 SYS 3695 TIP3 O1 C -0.834000 15.9994 + 11084 SYS 3695 TIP3 H1 A 0.417000 1.0079 + 11085 SYS 3695 TIP3 H2 A 0.417000 1.0079 + 11086 SYS 3696 TIP3 O1 C -0.834000 15.9994 + 11087 SYS 3696 TIP3 H1 A 0.417000 1.0079 + 11088 SYS 3696 TIP3 H2 A 0.417000 1.0079 + 11089 SYS 3697 TIP3 O1 C -0.834000 15.9994 + 11090 SYS 3697 TIP3 H1 A 0.417000 1.0079 + 11091 SYS 3697 TIP3 H2 A 0.417000 1.0079 + 11092 SYS 3698 TIP3 O1 C -0.834000 15.9994 + 11093 SYS 3698 TIP3 H1 A 0.417000 1.0079 + 11094 SYS 3698 TIP3 H2 A 0.417000 1.0079 + 11095 SYS 3699 TIP3 O1 C -0.834000 15.9994 + 11096 SYS 3699 TIP3 H1 A 0.417000 1.0079 + 11097 SYS 3699 TIP3 H2 A 0.417000 1.0079 + 11098 SYS 3700 TIP3 O1 C -0.834000 15.9994 + 11099 SYS 3700 TIP3 H1 A 0.417000 1.0079 + 11100 SYS 3700 TIP3 H2 A 0.417000 1.0079 + 11101 SYS 3701 TIP3 O1 C -0.834000 15.9994 + 11102 SYS 3701 TIP3 H1 A 0.417000 1.0079 + 11103 SYS 3701 TIP3 H2 A 0.417000 1.0079 + 11104 SYS 3702 TIP3 O1 C -0.834000 15.9994 + 11105 SYS 3702 TIP3 H1 A 0.417000 1.0079 + 11106 SYS 3702 TIP3 H2 A 0.417000 1.0079 + 11107 SYS 3703 TIP3 O1 C -0.834000 15.9994 + 11108 SYS 3703 TIP3 H1 A 0.417000 1.0079 + 11109 SYS 3703 TIP3 H2 A 0.417000 1.0079 + 11110 SYS 3704 TIP3 O1 C -0.834000 15.9994 + 11111 SYS 3704 TIP3 H1 A 0.417000 1.0079 + 11112 SYS 3704 TIP3 H2 A 0.417000 1.0079 + 11113 SYS 3705 TIP3 O1 C -0.834000 15.9994 + 11114 SYS 3705 TIP3 H1 A 0.417000 1.0079 + 11115 SYS 3705 TIP3 H2 A 0.417000 1.0079 + 11116 SYS 3706 TIP3 O1 C -0.834000 15.9994 + 11117 SYS 3706 TIP3 H1 A 0.417000 1.0079 + 11118 SYS 3706 TIP3 H2 A 0.417000 1.0079 + 11119 SYS 3707 TIP3 O1 C -0.834000 15.9994 + 11120 SYS 3707 TIP3 H1 A 0.417000 1.0079 + 11121 SYS 3707 TIP3 H2 A 0.417000 1.0079 + 11122 SYS 3708 TIP3 O1 C -0.834000 15.9994 + 11123 SYS 3708 TIP3 H1 A 0.417000 1.0079 + 11124 SYS 3708 TIP3 H2 A 0.417000 1.0079 + 11125 SYS 3709 TIP3 O1 C -0.834000 15.9994 + 11126 SYS 3709 TIP3 H1 A 0.417000 1.0079 + 11127 SYS 3709 TIP3 H2 A 0.417000 1.0079 + 11128 SYS 3710 TIP3 O1 C -0.834000 15.9994 + 11129 SYS 3710 TIP3 H1 A 0.417000 1.0079 + 11130 SYS 3710 TIP3 H2 A 0.417000 1.0079 + 11131 SYS 3711 TIP3 O1 C -0.834000 15.9994 + 11132 SYS 3711 TIP3 H1 A 0.417000 1.0079 + 11133 SYS 3711 TIP3 H2 A 0.417000 1.0079 + 11134 SYS 3712 TIP3 O1 C -0.834000 15.9994 + 11135 SYS 3712 TIP3 H1 A 0.417000 1.0079 + 11136 SYS 3712 TIP3 H2 A 0.417000 1.0079 + 11137 SYS 3713 TIP3 O1 C -0.834000 15.9994 + 11138 SYS 3713 TIP3 H1 A 0.417000 1.0079 + 11139 SYS 3713 TIP3 H2 A 0.417000 1.0079 + 11140 SYS 3714 TIP3 O1 C -0.834000 15.9994 + 11141 SYS 3714 TIP3 H1 A 0.417000 1.0079 + 11142 SYS 3714 TIP3 H2 A 0.417000 1.0079 + 11143 SYS 3715 TIP3 O1 C -0.834000 15.9994 + 11144 SYS 3715 TIP3 H1 A 0.417000 1.0079 + 11145 SYS 3715 TIP3 H2 A 0.417000 1.0079 + 11146 SYS 3716 TIP3 O1 C -0.834000 15.9994 + 11147 SYS 3716 TIP3 H1 A 0.417000 1.0079 + 11148 SYS 3716 TIP3 H2 A 0.417000 1.0079 + 11149 SYS 3717 TIP3 O1 C -0.834000 15.9994 + 11150 SYS 3717 TIP3 H1 A 0.417000 1.0079 + 11151 SYS 3717 TIP3 H2 A 0.417000 1.0079 + 11152 SYS 3718 TIP3 O1 C -0.834000 15.9994 + 11153 SYS 3718 TIP3 H1 A 0.417000 1.0079 + 11154 SYS 3718 TIP3 H2 A 0.417000 1.0079 + 11155 SYS 3719 TIP3 O1 C -0.834000 15.9994 + 11156 SYS 3719 TIP3 H1 A 0.417000 1.0079 + 11157 SYS 3719 TIP3 H2 A 0.417000 1.0079 + 11158 SYS 3720 TIP3 O1 C -0.834000 15.9994 + 11159 SYS 3720 TIP3 H1 A 0.417000 1.0079 + 11160 SYS 3720 TIP3 H2 A 0.417000 1.0079 + 11161 SYS 3721 TIP3 O1 C -0.834000 15.9994 + 11162 SYS 3721 TIP3 H1 A 0.417000 1.0079 + 11163 SYS 3721 TIP3 H2 A 0.417000 1.0079 + 11164 SYS 3722 TIP3 O1 C -0.834000 15.9994 + 11165 SYS 3722 TIP3 H1 A 0.417000 1.0079 + 11166 SYS 3722 TIP3 H2 A 0.417000 1.0079 + 11167 SYS 3723 TIP3 O1 C -0.834000 15.9994 + 11168 SYS 3723 TIP3 H1 A 0.417000 1.0079 + 11169 SYS 3723 TIP3 H2 A 0.417000 1.0079 + 11170 SYS 3724 TIP3 O1 C -0.834000 15.9994 + 11171 SYS 3724 TIP3 H1 A 0.417000 1.0079 + 11172 SYS 3724 TIP3 H2 A 0.417000 1.0079 + 11173 SYS 3725 TIP3 O1 C -0.834000 15.9994 + 11174 SYS 3725 TIP3 H1 A 0.417000 1.0079 + 11175 SYS 3725 TIP3 H2 A 0.417000 1.0079 + 11176 SYS 3726 TIP3 O1 C -0.834000 15.9994 + 11177 SYS 3726 TIP3 H1 A 0.417000 1.0079 + 11178 SYS 3726 TIP3 H2 A 0.417000 1.0079 + 11179 SYS 3727 TIP3 O1 C -0.834000 15.9994 + 11180 SYS 3727 TIP3 H1 A 0.417000 1.0079 + 11181 SYS 3727 TIP3 H2 A 0.417000 1.0079 + 11182 SYS 3728 TIP3 O1 C -0.834000 15.9994 + 11183 SYS 3728 TIP3 H1 A 0.417000 1.0079 + 11184 SYS 3728 TIP3 H2 A 0.417000 1.0079 + 11185 SYS 3729 TIP3 O1 C -0.834000 15.9994 + 11186 SYS 3729 TIP3 H1 A 0.417000 1.0079 + 11187 SYS 3729 TIP3 H2 A 0.417000 1.0079 + 11188 SYS 3730 TIP3 O1 C -0.834000 15.9994 + 11189 SYS 3730 TIP3 H1 A 0.417000 1.0079 + 11190 SYS 3730 TIP3 H2 A 0.417000 1.0079 + 11191 SYS 3731 TIP3 O1 C -0.834000 15.9994 + 11192 SYS 3731 TIP3 H1 A 0.417000 1.0079 + 11193 SYS 3731 TIP3 H2 A 0.417000 1.0079 + 11194 SYS 3732 TIP3 O1 C -0.834000 15.9994 + 11195 SYS 3732 TIP3 H1 A 0.417000 1.0079 + 11196 SYS 3732 TIP3 H2 A 0.417000 1.0079 + 11197 SYS 3733 TIP3 O1 C -0.834000 15.9994 + 11198 SYS 3733 TIP3 H1 A 0.417000 1.0079 + 11199 SYS 3733 TIP3 H2 A 0.417000 1.0079 + 11200 SYS 3734 TIP3 O1 C -0.834000 15.9994 + 11201 SYS 3734 TIP3 H1 A 0.417000 1.0079 + 11202 SYS 3734 TIP3 H2 A 0.417000 1.0079 + 11203 SYS 3735 TIP3 O1 C -0.834000 15.9994 + 11204 SYS 3735 TIP3 H1 A 0.417000 1.0079 + 11205 SYS 3735 TIP3 H2 A 0.417000 1.0079 + 11206 SYS 3736 TIP3 O1 C -0.834000 15.9994 + 11207 SYS 3736 TIP3 H1 A 0.417000 1.0079 + 11208 SYS 3736 TIP3 H2 A 0.417000 1.0079 + 11209 SYS 3737 TIP3 O1 C -0.834000 15.9994 + 11210 SYS 3737 TIP3 H1 A 0.417000 1.0079 + 11211 SYS 3737 TIP3 H2 A 0.417000 1.0079 + 11212 SYS 3738 TIP3 O1 C -0.834000 15.9994 + 11213 SYS 3738 TIP3 H1 A 0.417000 1.0079 + 11214 SYS 3738 TIP3 H2 A 0.417000 1.0079 + 11215 SYS 3739 TIP3 O1 C -0.834000 15.9994 + 11216 SYS 3739 TIP3 H1 A 0.417000 1.0079 + 11217 SYS 3739 TIP3 H2 A 0.417000 1.0079 + 11218 SYS 3740 TIP3 O1 C -0.834000 15.9994 + 11219 SYS 3740 TIP3 H1 A 0.417000 1.0079 + 11220 SYS 3740 TIP3 H2 A 0.417000 1.0079 + 11221 SYS 3741 TIP3 O1 C -0.834000 15.9994 + 11222 SYS 3741 TIP3 H1 A 0.417000 1.0079 + 11223 SYS 3741 TIP3 H2 A 0.417000 1.0079 + 11224 SYS 3742 TIP3 O1 C -0.834000 15.9994 + 11225 SYS 3742 TIP3 H1 A 0.417000 1.0079 + 11226 SYS 3742 TIP3 H2 A 0.417000 1.0079 + 11227 SYS 3743 TIP3 O1 C -0.834000 15.9994 + 11228 SYS 3743 TIP3 H1 A 0.417000 1.0079 + 11229 SYS 3743 TIP3 H2 A 0.417000 1.0079 + 11230 SYS 3744 TIP3 O1 C -0.834000 15.9994 + 11231 SYS 3744 TIP3 H1 A 0.417000 1.0079 + 11232 SYS 3744 TIP3 H2 A 0.417000 1.0079 + 11233 SYS 3745 TIP3 O1 C -0.834000 15.9994 + 11234 SYS 3745 TIP3 H1 A 0.417000 1.0079 + 11235 SYS 3745 TIP3 H2 A 0.417000 1.0079 + 11236 SYS 3746 TIP3 O1 C -0.834000 15.9994 + 11237 SYS 3746 TIP3 H1 A 0.417000 1.0079 + 11238 SYS 3746 TIP3 H2 A 0.417000 1.0079 + 11239 SYS 3747 TIP3 O1 C -0.834000 15.9994 + 11240 SYS 3747 TIP3 H1 A 0.417000 1.0079 + 11241 SYS 3747 TIP3 H2 A 0.417000 1.0079 + 11242 SYS 3748 TIP3 O1 C -0.834000 15.9994 + 11243 SYS 3748 TIP3 H1 A 0.417000 1.0079 + 11244 SYS 3748 TIP3 H2 A 0.417000 1.0079 + 11245 SYS 3749 TIP3 O1 C -0.834000 15.9994 + 11246 SYS 3749 TIP3 H1 A 0.417000 1.0079 + 11247 SYS 3749 TIP3 H2 A 0.417000 1.0079 + 11248 SYS 3750 TIP3 O1 C -0.834000 15.9994 + 11249 SYS 3750 TIP3 H1 A 0.417000 1.0079 + 11250 SYS 3750 TIP3 H2 A 0.417000 1.0079 + 11251 SYS 3751 TIP3 O1 C -0.834000 15.9994 + 11252 SYS 3751 TIP3 H1 A 0.417000 1.0079 + 11253 SYS 3751 TIP3 H2 A 0.417000 1.0079 + 11254 SYS 3752 TIP3 O1 C -0.834000 15.9994 + 11255 SYS 3752 TIP3 H1 A 0.417000 1.0079 + 11256 SYS 3752 TIP3 H2 A 0.417000 1.0079 + 11257 SYS 3753 TIP3 O1 C -0.834000 15.9994 + 11258 SYS 3753 TIP3 H1 A 0.417000 1.0079 + 11259 SYS 3753 TIP3 H2 A 0.417000 1.0079 + 11260 SYS 3754 TIP3 O1 C -0.834000 15.9994 + 11261 SYS 3754 TIP3 H1 A 0.417000 1.0079 + 11262 SYS 3754 TIP3 H2 A 0.417000 1.0079 + 11263 SYS 3755 TIP3 O1 C -0.834000 15.9994 + 11264 SYS 3755 TIP3 H1 A 0.417000 1.0079 + 11265 SYS 3755 TIP3 H2 A 0.417000 1.0079 + 11266 SYS 3756 TIP3 O1 C -0.834000 15.9994 + 11267 SYS 3756 TIP3 H1 A 0.417000 1.0079 + 11268 SYS 3756 TIP3 H2 A 0.417000 1.0079 + 11269 SYS 3757 TIP3 O1 C -0.834000 15.9994 + 11270 SYS 3757 TIP3 H1 A 0.417000 1.0079 + 11271 SYS 3757 TIP3 H2 A 0.417000 1.0079 + 11272 SYS 3758 TIP3 O1 C -0.834000 15.9994 + 11273 SYS 3758 TIP3 H1 A 0.417000 1.0079 + 11274 SYS 3758 TIP3 H2 A 0.417000 1.0079 + 11275 SYS 3759 TIP3 O1 C -0.834000 15.9994 + 11276 SYS 3759 TIP3 H1 A 0.417000 1.0079 + 11277 SYS 3759 TIP3 H2 A 0.417000 1.0079 + 11278 SYS 3760 TIP3 O1 C -0.834000 15.9994 + 11279 SYS 3760 TIP3 H1 A 0.417000 1.0079 + 11280 SYS 3760 TIP3 H2 A 0.417000 1.0079 + 11281 SYS 3761 TIP3 O1 C -0.834000 15.9994 + 11282 SYS 3761 TIP3 H1 A 0.417000 1.0079 + 11283 SYS 3761 TIP3 H2 A 0.417000 1.0079 + 11284 SYS 3762 TIP3 O1 C -0.834000 15.9994 + 11285 SYS 3762 TIP3 H1 A 0.417000 1.0079 + 11286 SYS 3762 TIP3 H2 A 0.417000 1.0079 + 11287 SYS 3763 TIP3 O1 C -0.834000 15.9994 + 11288 SYS 3763 TIP3 H1 A 0.417000 1.0079 + 11289 SYS 3763 TIP3 H2 A 0.417000 1.0079 + 11290 SYS 3764 TIP3 O1 C -0.834000 15.9994 + 11291 SYS 3764 TIP3 H1 A 0.417000 1.0079 + 11292 SYS 3764 TIP3 H2 A 0.417000 1.0079 + 11293 SYS 3765 TIP3 O1 C -0.834000 15.9994 + 11294 SYS 3765 TIP3 H1 A 0.417000 1.0079 + 11295 SYS 3765 TIP3 H2 A 0.417000 1.0079 + 11296 SYS 3766 TIP3 O1 C -0.834000 15.9994 + 11297 SYS 3766 TIP3 H1 A 0.417000 1.0079 + 11298 SYS 3766 TIP3 H2 A 0.417000 1.0079 + 11299 SYS 3767 TIP3 O1 C -0.834000 15.9994 + 11300 SYS 3767 TIP3 H1 A 0.417000 1.0079 + 11301 SYS 3767 TIP3 H2 A 0.417000 1.0079 + 11302 SYS 3768 TIP3 O1 C -0.834000 15.9994 + 11303 SYS 3768 TIP3 H1 A 0.417000 1.0079 + 11304 SYS 3768 TIP3 H2 A 0.417000 1.0079 + 11305 SYS 3769 TIP3 O1 C -0.834000 15.9994 + 11306 SYS 3769 TIP3 H1 A 0.417000 1.0079 + 11307 SYS 3769 TIP3 H2 A 0.417000 1.0079 + 11308 SYS 3770 TIP3 O1 C -0.834000 15.9994 + 11309 SYS 3770 TIP3 H1 A 0.417000 1.0079 + 11310 SYS 3770 TIP3 H2 A 0.417000 1.0079 + 11311 SYS 3771 TIP3 O1 C -0.834000 15.9994 + 11312 SYS 3771 TIP3 H1 A 0.417000 1.0079 + 11313 SYS 3771 TIP3 H2 A 0.417000 1.0079 + 11314 SYS 3772 TIP3 O1 C -0.834000 15.9994 + 11315 SYS 3772 TIP3 H1 A 0.417000 1.0079 + 11316 SYS 3772 TIP3 H2 A 0.417000 1.0079 + 11317 SYS 3773 TIP3 O1 C -0.834000 15.9994 + 11318 SYS 3773 TIP3 H1 A 0.417000 1.0079 + 11319 SYS 3773 TIP3 H2 A 0.417000 1.0079 + 11320 SYS 3774 TIP3 O1 C -0.834000 15.9994 + 11321 SYS 3774 TIP3 H1 A 0.417000 1.0079 + 11322 SYS 3774 TIP3 H2 A 0.417000 1.0079 + 11323 SYS 3775 TIP3 O1 C -0.834000 15.9994 + 11324 SYS 3775 TIP3 H1 A 0.417000 1.0079 + 11325 SYS 3775 TIP3 H2 A 0.417000 1.0079 + 11326 SYS 3776 TIP3 O1 C -0.834000 15.9994 + 11327 SYS 3776 TIP3 H1 A 0.417000 1.0079 + 11328 SYS 3776 TIP3 H2 A 0.417000 1.0079 + 11329 SYS 3777 TIP3 O1 C -0.834000 15.9994 + 11330 SYS 3777 TIP3 H1 A 0.417000 1.0079 + 11331 SYS 3777 TIP3 H2 A 0.417000 1.0079 + 11332 SYS 3778 TIP3 O1 C -0.834000 15.9994 + 11333 SYS 3778 TIP3 H1 A 0.417000 1.0079 + 11334 SYS 3778 TIP3 H2 A 0.417000 1.0079 + 11335 SYS 3779 TIP3 O1 C -0.834000 15.9994 + 11336 SYS 3779 TIP3 H1 A 0.417000 1.0079 + 11337 SYS 3779 TIP3 H2 A 0.417000 1.0079 + 11338 SYS 3780 TIP3 O1 C -0.834000 15.9994 + 11339 SYS 3780 TIP3 H1 A 0.417000 1.0079 + 11340 SYS 3780 TIP3 H2 A 0.417000 1.0079 + 11341 SYS 3781 TIP3 O1 C -0.834000 15.9994 + 11342 SYS 3781 TIP3 H1 A 0.417000 1.0079 + 11343 SYS 3781 TIP3 H2 A 0.417000 1.0079 + 11344 SYS 3782 TIP3 O1 C -0.834000 15.9994 + 11345 SYS 3782 TIP3 H1 A 0.417000 1.0079 + 11346 SYS 3782 TIP3 H2 A 0.417000 1.0079 + 11347 SYS 3783 TIP3 O1 C -0.834000 15.9994 + 11348 SYS 3783 TIP3 H1 A 0.417000 1.0079 + 11349 SYS 3783 TIP3 H2 A 0.417000 1.0079 + 11350 SYS 3784 TIP3 O1 C -0.834000 15.9994 + 11351 SYS 3784 TIP3 H1 A 0.417000 1.0079 + 11352 SYS 3784 TIP3 H2 A 0.417000 1.0079 + 11353 SYS 3785 TIP3 O1 C -0.834000 15.9994 + 11354 SYS 3785 TIP3 H1 A 0.417000 1.0079 + 11355 SYS 3785 TIP3 H2 A 0.417000 1.0079 + 11356 SYS 3786 TIP3 O1 C -0.834000 15.9994 + 11357 SYS 3786 TIP3 H1 A 0.417000 1.0079 + 11358 SYS 3786 TIP3 H2 A 0.417000 1.0079 + 11359 SYS 3787 TIP3 O1 C -0.834000 15.9994 + 11360 SYS 3787 TIP3 H1 A 0.417000 1.0079 + 11361 SYS 3787 TIP3 H2 A 0.417000 1.0079 + 11362 SYS 3788 TIP3 O1 C -0.834000 15.9994 + 11363 SYS 3788 TIP3 H1 A 0.417000 1.0079 + 11364 SYS 3788 TIP3 H2 A 0.417000 1.0079 + 11365 SYS 3789 TIP3 O1 C -0.834000 15.9994 + 11366 SYS 3789 TIP3 H1 A 0.417000 1.0079 + 11367 SYS 3789 TIP3 H2 A 0.417000 1.0079 + 11368 SYS 3790 TIP3 O1 C -0.834000 15.9994 + 11369 SYS 3790 TIP3 H1 A 0.417000 1.0079 + 11370 SYS 3790 TIP3 H2 A 0.417000 1.0079 + 11371 SYS 3791 TIP3 O1 C -0.834000 15.9994 + 11372 SYS 3791 TIP3 H1 A 0.417000 1.0079 + 11373 SYS 3791 TIP3 H2 A 0.417000 1.0079 + 11374 SYS 3792 TIP3 O1 C -0.834000 15.9994 + 11375 SYS 3792 TIP3 H1 A 0.417000 1.0079 + 11376 SYS 3792 TIP3 H2 A 0.417000 1.0079 + 11377 SYS 3793 TIP3 O1 C -0.834000 15.9994 + 11378 SYS 3793 TIP3 H1 A 0.417000 1.0079 + 11379 SYS 3793 TIP3 H2 A 0.417000 1.0079 + 11380 SYS 3794 TIP3 O1 C -0.834000 15.9994 + 11381 SYS 3794 TIP3 H1 A 0.417000 1.0079 + 11382 SYS 3794 TIP3 H2 A 0.417000 1.0079 + 11383 SYS 3795 TIP3 O1 C -0.834000 15.9994 + 11384 SYS 3795 TIP3 H1 A 0.417000 1.0079 + 11385 SYS 3795 TIP3 H2 A 0.417000 1.0079 + 11386 SYS 3796 TIP3 O1 C -0.834000 15.9994 + 11387 SYS 3796 TIP3 H1 A 0.417000 1.0079 + 11388 SYS 3796 TIP3 H2 A 0.417000 1.0079 + 11389 SYS 3797 TIP3 O1 C -0.834000 15.9994 + 11390 SYS 3797 TIP3 H1 A 0.417000 1.0079 + 11391 SYS 3797 TIP3 H2 A 0.417000 1.0079 + 11392 SYS 3798 TIP3 O1 C -0.834000 15.9994 + 11393 SYS 3798 TIP3 H1 A 0.417000 1.0079 + 11394 SYS 3798 TIP3 H2 A 0.417000 1.0079 + 11395 SYS 3799 TIP3 O1 C -0.834000 15.9994 + 11396 SYS 3799 TIP3 H1 A 0.417000 1.0079 + 11397 SYS 3799 TIP3 H2 A 0.417000 1.0079 + 11398 SYS 3800 TIP3 O1 C -0.834000 15.9994 + 11399 SYS 3800 TIP3 H1 A 0.417000 1.0079 + 11400 SYS 3800 TIP3 H2 A 0.417000 1.0079 + 11401 SYS 3801 TIP3 O1 C -0.834000 15.9994 + 11402 SYS 3801 TIP3 H1 A 0.417000 1.0079 + 11403 SYS 3801 TIP3 H2 A 0.417000 1.0079 + 11404 SYS 3802 TIP3 O1 C -0.834000 15.9994 + 11405 SYS 3802 TIP3 H1 A 0.417000 1.0079 + 11406 SYS 3802 TIP3 H2 A 0.417000 1.0079 + 11407 SYS 3803 TIP3 O1 C -0.834000 15.9994 + 11408 SYS 3803 TIP3 H1 A 0.417000 1.0079 + 11409 SYS 3803 TIP3 H2 A 0.417000 1.0079 + 11410 SYS 3804 TIP3 O1 C -0.834000 15.9994 + 11411 SYS 3804 TIP3 H1 A 0.417000 1.0079 + 11412 SYS 3804 TIP3 H2 A 0.417000 1.0079 + 11413 SYS 3805 TIP3 O1 C -0.834000 15.9994 + 11414 SYS 3805 TIP3 H1 A 0.417000 1.0079 + 11415 SYS 3805 TIP3 H2 A 0.417000 1.0079 + 11416 SYS 3806 TIP3 O1 C -0.834000 15.9994 + 11417 SYS 3806 TIP3 H1 A 0.417000 1.0079 + 11418 SYS 3806 TIP3 H2 A 0.417000 1.0079 + 11419 SYS 3807 TIP3 O1 C -0.834000 15.9994 + 11420 SYS 3807 TIP3 H1 A 0.417000 1.0079 + 11421 SYS 3807 TIP3 H2 A 0.417000 1.0079 + 11422 SYS 3808 TIP3 O1 C -0.834000 15.9994 + 11423 SYS 3808 TIP3 H1 A 0.417000 1.0079 + 11424 SYS 3808 TIP3 H2 A 0.417000 1.0079 + 11425 SYS 3809 TIP3 O1 C -0.834000 15.9994 + 11426 SYS 3809 TIP3 H1 A 0.417000 1.0079 + 11427 SYS 3809 TIP3 H2 A 0.417000 1.0079 + 11428 SYS 3810 TIP3 O1 C -0.834000 15.9994 + 11429 SYS 3810 TIP3 H1 A 0.417000 1.0079 + 11430 SYS 3810 TIP3 H2 A 0.417000 1.0079 + 11431 SYS 3811 TIP3 O1 C -0.834000 15.9994 + 11432 SYS 3811 TIP3 H1 A 0.417000 1.0079 + 11433 SYS 3811 TIP3 H2 A 0.417000 1.0079 + 11434 SYS 3812 TIP3 O1 C -0.834000 15.9994 + 11435 SYS 3812 TIP3 H1 A 0.417000 1.0079 + 11436 SYS 3812 TIP3 H2 A 0.417000 1.0079 + 11437 SYS 3813 TIP3 O1 C -0.834000 15.9994 + 11438 SYS 3813 TIP3 H1 A 0.417000 1.0079 + 11439 SYS 3813 TIP3 H2 A 0.417000 1.0079 + 11440 SYS 3814 TIP3 O1 C -0.834000 15.9994 + 11441 SYS 3814 TIP3 H1 A 0.417000 1.0079 + 11442 SYS 3814 TIP3 H2 A 0.417000 1.0079 + 11443 SYS 3815 TIP3 O1 C -0.834000 15.9994 + 11444 SYS 3815 TIP3 H1 A 0.417000 1.0079 + 11445 SYS 3815 TIP3 H2 A 0.417000 1.0079 + 11446 SYS 3816 TIP3 O1 C -0.834000 15.9994 + 11447 SYS 3816 TIP3 H1 A 0.417000 1.0079 + 11448 SYS 3816 TIP3 H2 A 0.417000 1.0079 + 11449 SYS 3817 TIP3 O1 C -0.834000 15.9994 + 11450 SYS 3817 TIP3 H1 A 0.417000 1.0079 + 11451 SYS 3817 TIP3 H2 A 0.417000 1.0079 + 11452 SYS 3818 TIP3 O1 C -0.834000 15.9994 + 11453 SYS 3818 TIP3 H1 A 0.417000 1.0079 + 11454 SYS 3818 TIP3 H2 A 0.417000 1.0079 + 11455 SYS 3819 TIP3 O1 C -0.834000 15.9994 + 11456 SYS 3819 TIP3 H1 A 0.417000 1.0079 + 11457 SYS 3819 TIP3 H2 A 0.417000 1.0079 + 11458 SYS 3820 TIP3 O1 C -0.834000 15.9994 + 11459 SYS 3820 TIP3 H1 A 0.417000 1.0079 + 11460 SYS 3820 TIP3 H2 A 0.417000 1.0079 + 11461 SYS 3821 TIP3 O1 C -0.834000 15.9994 + 11462 SYS 3821 TIP3 H1 A 0.417000 1.0079 + 11463 SYS 3821 TIP3 H2 A 0.417000 1.0079 + 11464 SYS 3822 TIP3 O1 C -0.834000 15.9994 + 11465 SYS 3822 TIP3 H1 A 0.417000 1.0079 + 11466 SYS 3822 TIP3 H2 A 0.417000 1.0079 + 11467 SYS 3823 TIP3 O1 C -0.834000 15.9994 + 11468 SYS 3823 TIP3 H1 A 0.417000 1.0079 + 11469 SYS 3823 TIP3 H2 A 0.417000 1.0079 + 11470 SYS 3824 TIP3 O1 C -0.834000 15.9994 + 11471 SYS 3824 TIP3 H1 A 0.417000 1.0079 + 11472 SYS 3824 TIP3 H2 A 0.417000 1.0079 + 11473 SYS 3825 TIP3 O1 C -0.834000 15.9994 + 11474 SYS 3825 TIP3 H1 A 0.417000 1.0079 + 11475 SYS 3825 TIP3 H2 A 0.417000 1.0079 + 11476 SYS 3826 TIP3 O1 C -0.834000 15.9994 + 11477 SYS 3826 TIP3 H1 A 0.417000 1.0079 + 11478 SYS 3826 TIP3 H2 A 0.417000 1.0079 + 11479 SYS 3827 TIP3 O1 C -0.834000 15.9994 + 11480 SYS 3827 TIP3 H1 A 0.417000 1.0079 + 11481 SYS 3827 TIP3 H2 A 0.417000 1.0079 + 11482 SYS 3828 TIP3 O1 C -0.834000 15.9994 + 11483 SYS 3828 TIP3 H1 A 0.417000 1.0079 + 11484 SYS 3828 TIP3 H2 A 0.417000 1.0079 + 11485 SYS 3829 TIP3 O1 C -0.834000 15.9994 + 11486 SYS 3829 TIP3 H1 A 0.417000 1.0079 + 11487 SYS 3829 TIP3 H2 A 0.417000 1.0079 + 11488 SYS 3830 TIP3 O1 C -0.834000 15.9994 + 11489 SYS 3830 TIP3 H1 A 0.417000 1.0079 + 11490 SYS 3830 TIP3 H2 A 0.417000 1.0079 + 11491 SYS 3831 TIP3 O1 C -0.834000 15.9994 + 11492 SYS 3831 TIP3 H1 A 0.417000 1.0079 + 11493 SYS 3831 TIP3 H2 A 0.417000 1.0079 + 11494 SYS 3832 TIP3 O1 C -0.834000 15.9994 + 11495 SYS 3832 TIP3 H1 A 0.417000 1.0079 + 11496 SYS 3832 TIP3 H2 A 0.417000 1.0079 + 11497 SYS 3833 TIP3 O1 C -0.834000 15.9994 + 11498 SYS 3833 TIP3 H1 A 0.417000 1.0079 + 11499 SYS 3833 TIP3 H2 A 0.417000 1.0079 + 11500 SYS 3834 TIP3 O1 C -0.834000 15.9994 + 11501 SYS 3834 TIP3 H1 A 0.417000 1.0079 + 11502 SYS 3834 TIP3 H2 A 0.417000 1.0079 + 11503 SYS 3835 TIP3 O1 C -0.834000 15.9994 + 11504 SYS 3835 TIP3 H1 A 0.417000 1.0079 + 11505 SYS 3835 TIP3 H2 A 0.417000 1.0079 + 11506 SYS 3836 TIP3 O1 C -0.834000 15.9994 + 11507 SYS 3836 TIP3 H1 A 0.417000 1.0079 + 11508 SYS 3836 TIP3 H2 A 0.417000 1.0079 + 11509 SYS 3837 TIP3 O1 C -0.834000 15.9994 + 11510 SYS 3837 TIP3 H1 A 0.417000 1.0079 + 11511 SYS 3837 TIP3 H2 A 0.417000 1.0079 + 11512 SYS 3838 TIP3 O1 C -0.834000 15.9994 + 11513 SYS 3838 TIP3 H1 A 0.417000 1.0079 + 11514 SYS 3838 TIP3 H2 A 0.417000 1.0079 + 11515 SYS 3839 TIP3 O1 C -0.834000 15.9994 + 11516 SYS 3839 TIP3 H1 A 0.417000 1.0079 + 11517 SYS 3839 TIP3 H2 A 0.417000 1.0079 + 11518 SYS 3840 TIP3 O1 C -0.834000 15.9994 + 11519 SYS 3840 TIP3 H1 A 0.417000 1.0079 + 11520 SYS 3840 TIP3 H2 A 0.417000 1.0079 + 11521 SYS 3841 TIP3 O1 C -0.834000 15.9994 + 11522 SYS 3841 TIP3 H1 A 0.417000 1.0079 + 11523 SYS 3841 TIP3 H2 A 0.417000 1.0079 + 11524 SYS 3842 TIP3 O1 C -0.834000 15.9994 + 11525 SYS 3842 TIP3 H1 A 0.417000 1.0079 + 11526 SYS 3842 TIP3 H2 A 0.417000 1.0079 + 11527 SYS 3843 TIP3 O1 C -0.834000 15.9994 + 11528 SYS 3843 TIP3 H1 A 0.417000 1.0079 + 11529 SYS 3843 TIP3 H2 A 0.417000 1.0079 + 11530 SYS 3844 TIP3 O1 C -0.834000 15.9994 + 11531 SYS 3844 TIP3 H1 A 0.417000 1.0079 + 11532 SYS 3844 TIP3 H2 A 0.417000 1.0079 + 11533 SYS 3845 TIP3 O1 C -0.834000 15.9994 + 11534 SYS 3845 TIP3 H1 A 0.417000 1.0079 + 11535 SYS 3845 TIP3 H2 A 0.417000 1.0079 + 11536 SYS 3846 TIP3 O1 C -0.834000 15.9994 + 11537 SYS 3846 TIP3 H1 A 0.417000 1.0079 + 11538 SYS 3846 TIP3 H2 A 0.417000 1.0079 + 11539 SYS 3847 TIP3 O1 C -0.834000 15.9994 + 11540 SYS 3847 TIP3 H1 A 0.417000 1.0079 + 11541 SYS 3847 TIP3 H2 A 0.417000 1.0079 + 11542 SYS 3848 TIP3 O1 C -0.834000 15.9994 + 11543 SYS 3848 TIP3 H1 A 0.417000 1.0079 + 11544 SYS 3848 TIP3 H2 A 0.417000 1.0079 + 11545 SYS 3849 TIP3 O1 C -0.834000 15.9994 + 11546 SYS 3849 TIP3 H1 A 0.417000 1.0079 + 11547 SYS 3849 TIP3 H2 A 0.417000 1.0079 + 11548 SYS 3850 TIP3 O1 C -0.834000 15.9994 + 11549 SYS 3850 TIP3 H1 A 0.417000 1.0079 + 11550 SYS 3850 TIP3 H2 A 0.417000 1.0079 + 11551 SYS 3851 TIP3 O1 C -0.834000 15.9994 + 11552 SYS 3851 TIP3 H1 A 0.417000 1.0079 + 11553 SYS 3851 TIP3 H2 A 0.417000 1.0079 + 11554 SYS 3852 TIP3 O1 C -0.834000 15.9994 + 11555 SYS 3852 TIP3 H1 A 0.417000 1.0079 + 11556 SYS 3852 TIP3 H2 A 0.417000 1.0079 + 11557 SYS 3853 TIP3 O1 C -0.834000 15.9994 + 11558 SYS 3853 TIP3 H1 A 0.417000 1.0079 + 11559 SYS 3853 TIP3 H2 A 0.417000 1.0079 + 11560 SYS 3854 TIP3 O1 C -0.834000 15.9994 + 11561 SYS 3854 TIP3 H1 A 0.417000 1.0079 + 11562 SYS 3854 TIP3 H2 A 0.417000 1.0079 + 11563 SYS 3855 TIP3 O1 C -0.834000 15.9994 + 11564 SYS 3855 TIP3 H1 A 0.417000 1.0079 + 11565 SYS 3855 TIP3 H2 A 0.417000 1.0079 + 11566 SYS 3856 TIP3 O1 C -0.834000 15.9994 + 11567 SYS 3856 TIP3 H1 A 0.417000 1.0079 + 11568 SYS 3856 TIP3 H2 A 0.417000 1.0079 + 11569 SYS 3857 TIP3 O1 C -0.834000 15.9994 + 11570 SYS 3857 TIP3 H1 A 0.417000 1.0079 + 11571 SYS 3857 TIP3 H2 A 0.417000 1.0079 + 11572 SYS 3858 TIP3 O1 C -0.834000 15.9994 + 11573 SYS 3858 TIP3 H1 A 0.417000 1.0079 + 11574 SYS 3858 TIP3 H2 A 0.417000 1.0079 + 11575 SYS 3859 TIP3 O1 C -0.834000 15.9994 + 11576 SYS 3859 TIP3 H1 A 0.417000 1.0079 + 11577 SYS 3859 TIP3 H2 A 0.417000 1.0079 + 11578 SYS 3860 TIP3 O1 C -0.834000 15.9994 + 11579 SYS 3860 TIP3 H1 A 0.417000 1.0079 + 11580 SYS 3860 TIP3 H2 A 0.417000 1.0079 + 11581 SYS 3861 TIP3 O1 C -0.834000 15.9994 + 11582 SYS 3861 TIP3 H1 A 0.417000 1.0079 + 11583 SYS 3861 TIP3 H2 A 0.417000 1.0079 + 11584 SYS 3862 TIP3 O1 C -0.834000 15.9994 + 11585 SYS 3862 TIP3 H1 A 0.417000 1.0079 + 11586 SYS 3862 TIP3 H2 A 0.417000 1.0079 + 11587 SYS 3863 TIP3 O1 C -0.834000 15.9994 + 11588 SYS 3863 TIP3 H1 A 0.417000 1.0079 + 11589 SYS 3863 TIP3 H2 A 0.417000 1.0079 + 11590 SYS 3864 TIP3 O1 C -0.834000 15.9994 + 11591 SYS 3864 TIP3 H1 A 0.417000 1.0079 + 11592 SYS 3864 TIP3 H2 A 0.417000 1.0079 + 11593 SYS 3865 TIP3 O1 C -0.834000 15.9994 + 11594 SYS 3865 TIP3 H1 A 0.417000 1.0079 + 11595 SYS 3865 TIP3 H2 A 0.417000 1.0079 + 11596 SYS 3866 TIP3 O1 C -0.834000 15.9994 + 11597 SYS 3866 TIP3 H1 A 0.417000 1.0079 + 11598 SYS 3866 TIP3 H2 A 0.417000 1.0079 + 11599 SYS 3867 TIP3 O1 C -0.834000 15.9994 + 11600 SYS 3867 TIP3 H1 A 0.417000 1.0079 + 11601 SYS 3867 TIP3 H2 A 0.417000 1.0079 + 11602 SYS 3868 TIP3 O1 C -0.834000 15.9994 + 11603 SYS 3868 TIP3 H1 A 0.417000 1.0079 + 11604 SYS 3868 TIP3 H2 A 0.417000 1.0079 + 11605 SYS 3869 TIP3 O1 C -0.834000 15.9994 + 11606 SYS 3869 TIP3 H1 A 0.417000 1.0079 + 11607 SYS 3869 TIP3 H2 A 0.417000 1.0079 + 11608 SYS 3870 TIP3 O1 C -0.834000 15.9994 + 11609 SYS 3870 TIP3 H1 A 0.417000 1.0079 + 11610 SYS 3870 TIP3 H2 A 0.417000 1.0079 + 11611 SYS 3871 TIP3 O1 C -0.834000 15.9994 + 11612 SYS 3871 TIP3 H1 A 0.417000 1.0079 + 11613 SYS 3871 TIP3 H2 A 0.417000 1.0079 + 11614 SYS 3872 TIP3 O1 C -0.834000 15.9994 + 11615 SYS 3872 TIP3 H1 A 0.417000 1.0079 + 11616 SYS 3872 TIP3 H2 A 0.417000 1.0079 + 11617 SYS 3873 TIP3 O1 C -0.834000 15.9994 + 11618 SYS 3873 TIP3 H1 A 0.417000 1.0079 + 11619 SYS 3873 TIP3 H2 A 0.417000 1.0079 + 11620 SYS 3874 TIP3 O1 C -0.834000 15.9994 + 11621 SYS 3874 TIP3 H1 A 0.417000 1.0079 + 11622 SYS 3874 TIP3 H2 A 0.417000 1.0079 + 11623 SYS 3875 TIP3 O1 C -0.834000 15.9994 + 11624 SYS 3875 TIP3 H1 A 0.417000 1.0079 + 11625 SYS 3875 TIP3 H2 A 0.417000 1.0079 + 11626 SYS 3876 TIP3 O1 C -0.834000 15.9994 + 11627 SYS 3876 TIP3 H1 A 0.417000 1.0079 + 11628 SYS 3876 TIP3 H2 A 0.417000 1.0079 + 11629 SYS 3877 TIP3 O1 C -0.834000 15.9994 + 11630 SYS 3877 TIP3 H1 A 0.417000 1.0079 + 11631 SYS 3877 TIP3 H2 A 0.417000 1.0079 + 11632 SYS 3878 TIP3 O1 C -0.834000 15.9994 + 11633 SYS 3878 TIP3 H1 A 0.417000 1.0079 + 11634 SYS 3878 TIP3 H2 A 0.417000 1.0079 + 11635 SYS 3879 TIP3 O1 C -0.834000 15.9994 + 11636 SYS 3879 TIP3 H1 A 0.417000 1.0079 + 11637 SYS 3879 TIP3 H2 A 0.417000 1.0079 + 11638 SYS 3880 TIP3 O1 C -0.834000 15.9994 + 11639 SYS 3880 TIP3 H1 A 0.417000 1.0079 + 11640 SYS 3880 TIP3 H2 A 0.417000 1.0079 + 11641 SYS 3881 TIP3 O1 C -0.834000 15.9994 + 11642 SYS 3881 TIP3 H1 A 0.417000 1.0079 + 11643 SYS 3881 TIP3 H2 A 0.417000 1.0079 + 11644 SYS 3882 TIP3 O1 C -0.834000 15.9994 + 11645 SYS 3882 TIP3 H1 A 0.417000 1.0079 + 11646 SYS 3882 TIP3 H2 A 0.417000 1.0079 + 11647 SYS 3883 TIP3 O1 C -0.834000 15.9994 + 11648 SYS 3883 TIP3 H1 A 0.417000 1.0079 + 11649 SYS 3883 TIP3 H2 A 0.417000 1.0079 + 11650 SYS 3884 TIP3 O1 C -0.834000 15.9994 + 11651 SYS 3884 TIP3 H1 A 0.417000 1.0079 + 11652 SYS 3884 TIP3 H2 A 0.417000 1.0079 + 11653 SYS 3885 TIP3 O1 C -0.834000 15.9994 + 11654 SYS 3885 TIP3 H1 A 0.417000 1.0079 + 11655 SYS 3885 TIP3 H2 A 0.417000 1.0079 + 11656 SYS 3886 TIP3 O1 C -0.834000 15.9994 + 11657 SYS 3886 TIP3 H1 A 0.417000 1.0079 + 11658 SYS 3886 TIP3 H2 A 0.417000 1.0079 + 11659 SYS 3887 TIP3 O1 C -0.834000 15.9994 + 11660 SYS 3887 TIP3 H1 A 0.417000 1.0079 + 11661 SYS 3887 TIP3 H2 A 0.417000 1.0079 + 11662 SYS 3888 TIP3 O1 C -0.834000 15.9994 + 11663 SYS 3888 TIP3 H1 A 0.417000 1.0079 + 11664 SYS 3888 TIP3 H2 A 0.417000 1.0079 + 11665 SYS 3889 TIP3 O1 C -0.834000 15.9994 + 11666 SYS 3889 TIP3 H1 A 0.417000 1.0079 + 11667 SYS 3889 TIP3 H2 A 0.417000 1.0079 + 11668 SYS 3890 TIP3 O1 C -0.834000 15.9994 + 11669 SYS 3890 TIP3 H1 A 0.417000 1.0079 + 11670 SYS 3890 TIP3 H2 A 0.417000 1.0079 + 11671 SYS 3891 TIP3 O1 C -0.834000 15.9994 + 11672 SYS 3891 TIP3 H1 A 0.417000 1.0079 + 11673 SYS 3891 TIP3 H2 A 0.417000 1.0079 + 11674 SYS 3892 TIP3 O1 C -0.834000 15.9994 + 11675 SYS 3892 TIP3 H1 A 0.417000 1.0079 + 11676 SYS 3892 TIP3 H2 A 0.417000 1.0079 + 11677 SYS 3893 TIP3 O1 C -0.834000 15.9994 + 11678 SYS 3893 TIP3 H1 A 0.417000 1.0079 + 11679 SYS 3893 TIP3 H2 A 0.417000 1.0079 + 11680 SYS 3894 TIP3 O1 C -0.834000 15.9994 + 11681 SYS 3894 TIP3 H1 A 0.417000 1.0079 + 11682 SYS 3894 TIP3 H2 A 0.417000 1.0079 + 11683 SYS 3895 TIP3 O1 C -0.834000 15.9994 + 11684 SYS 3895 TIP3 H1 A 0.417000 1.0079 + 11685 SYS 3895 TIP3 H2 A 0.417000 1.0079 + 11686 SYS 3896 TIP3 O1 C -0.834000 15.9994 + 11687 SYS 3896 TIP3 H1 A 0.417000 1.0079 + 11688 SYS 3896 TIP3 H2 A 0.417000 1.0079 + 11689 SYS 3897 TIP3 O1 C -0.834000 15.9994 + 11690 SYS 3897 TIP3 H1 A 0.417000 1.0079 + 11691 SYS 3897 TIP3 H2 A 0.417000 1.0079 + 11692 SYS 3898 TIP3 O1 C -0.834000 15.9994 + 11693 SYS 3898 TIP3 H1 A 0.417000 1.0079 + 11694 SYS 3898 TIP3 H2 A 0.417000 1.0079 + 11695 SYS 3899 WAT O1 D -0.834000 15.9994 + 11696 SYS 3899 WAT H1 B 0.417000 1.0079 + 11697 SYS 3899 WAT H2 B 0.417000 1.0079 + 11698 SYS 3900 WAT O1 D -0.834000 15.9994 + 11699 SYS 3900 WAT H1 B 0.417000 1.0079 + 11700 SYS 3900 WAT H2 B 0.417000 1.0079 + 11701 SYS 3901 WAT O1 D -0.834000 15.9994 + 11702 SYS 3901 WAT H1 B 0.417000 1.0079 + 11703 SYS 3901 WAT H2 B 0.417000 1.0079 + 11704 SYS 3902 WAT O1 D -0.834000 15.9994 + 11705 SYS 3902 WAT H1 B 0.417000 1.0079 + 11706 SYS 3902 WAT H2 B 0.417000 1.0079 + 11707 SYS 3903 WAT O1 D -0.834000 15.9994 + 11708 SYS 3903 WAT H1 B 0.417000 1.0079 + 11709 SYS 3903 WAT H2 B 0.417000 1.0079 + 11710 SYS 3904 WAT O1 D -0.834000 15.9994 + 11711 SYS 3904 WAT H1 B 0.417000 1.0079 + 11712 SYS 3904 WAT H2 B 0.417000 1.0079 + 11713 SYS 3905 WAT O1 D -0.834000 15.9994 + 11714 SYS 3905 WAT H1 B 0.417000 1.0079 + 11715 SYS 3905 WAT H2 B 0.417000 1.0079 + 11716 SYS 3906 WAT O1 D -0.834000 15.9994 + 11717 SYS 3906 WAT H1 B 0.417000 1.0079 + 11718 SYS 3906 WAT H2 B 0.417000 1.0079 + 11719 SYS 3907 WAT O1 D -0.834000 15.9994 + 11720 SYS 3907 WAT H1 B 0.417000 1.0079 + 11721 SYS 3907 WAT H2 B 0.417000 1.0079 + 11722 SYS 3908 WAT O1 D -0.834000 15.9994 + 11723 SYS 3908 WAT H1 B 0.417000 1.0079 + 11724 SYS 3908 WAT H2 B 0.417000 1.0079 + 11725 SYS 3909 WAT O1 D -0.834000 15.9994 + 11726 SYS 3909 WAT H1 B 0.417000 1.0079 + 11727 SYS 3909 WAT H2 B 0.417000 1.0079 + 11728 SYS 3910 WAT O1 D -0.834000 15.9994 + 11729 SYS 3910 WAT H1 B 0.417000 1.0079 + 11730 SYS 3910 WAT H2 B 0.417000 1.0079 + 11731 SYS 3911 WAT O1 D -0.834000 15.9994 + 11732 SYS 3911 WAT H1 B 0.417000 1.0079 + 11733 SYS 3911 WAT H2 B 0.417000 1.0079 + 11734 SYS 3912 WAT O1 D -0.834000 15.9994 + 11735 SYS 3912 WAT H1 B 0.417000 1.0079 + 11736 SYS 3912 WAT H2 B 0.417000 1.0079 + 11737 SYS 3913 WAT O1 D -0.834000 15.9994 + 11738 SYS 3913 WAT H1 B 0.417000 1.0079 + 11739 SYS 3913 WAT H2 B 0.417000 1.0079 + 11740 SYS 3914 WAT O1 D -0.834000 15.9994 + 11741 SYS 3914 WAT H1 B 0.417000 1.0079 + 11742 SYS 3914 WAT H2 B 0.417000 1.0079 + 11743 SYS 3915 WAT O1 D -0.834000 15.9994 + 11744 SYS 3915 WAT H1 B 0.417000 1.0079 + 11745 SYS 3915 WAT H2 B 0.417000 1.0079 + 11746 SYS 3916 WAT O1 D -0.834000 15.9994 + 11747 SYS 3916 WAT H1 B 0.417000 1.0079 + 11748 SYS 3916 WAT H2 B 0.417000 1.0079 + 11749 SYS 3917 WAT O1 D -0.834000 15.9994 + 11750 SYS 3917 WAT H1 B 0.417000 1.0079 + 11751 SYS 3917 WAT H2 B 0.417000 1.0079 + 11752 SYS 3918 WAT O1 D -0.834000 15.9994 + 11753 SYS 3918 WAT H1 B 0.417000 1.0079 + 11754 SYS 3918 WAT H2 B 0.417000 1.0079 + 11755 SYS 3919 WAT O1 D -0.834000 15.9994 + 11756 SYS 3919 WAT H1 B 0.417000 1.0079 + 11757 SYS 3919 WAT H2 B 0.417000 1.0079 + 11758 SYS 3920 WAT O1 D -0.834000 15.9994 + 11759 SYS 3920 WAT H1 B 0.417000 1.0079 + 11760 SYS 3920 WAT H2 B 0.417000 1.0079 + 11761 SYS 3921 WAT O1 D -0.834000 15.9994 + 11762 SYS 3921 WAT H1 B 0.417000 1.0079 + 11763 SYS 3921 WAT H2 B 0.417000 1.0079 + 11764 SYS 3922 WAT O1 D -0.834000 15.9994 + 11765 SYS 3922 WAT H1 B 0.417000 1.0079 + 11766 SYS 3922 WAT H2 B 0.417000 1.0079 + 11767 SYS 3923 WAT O1 D -0.834000 15.9994 + 11768 SYS 3923 WAT H1 B 0.417000 1.0079 + 11769 SYS 3923 WAT H2 B 0.417000 1.0079 + 11770 SYS 3924 WAT O1 D -0.834000 15.9994 + 11771 SYS 3924 WAT H1 B 0.417000 1.0079 + 11772 SYS 3924 WAT H2 B 0.417000 1.0079 + 11773 SYS 3925 WAT O1 D -0.834000 15.9994 + 11774 SYS 3925 WAT H1 B 0.417000 1.0079 + 11775 SYS 3925 WAT H2 B 0.417000 1.0079 + 11776 SYS 3926 WAT O1 D -0.834000 15.9994 + 11777 SYS 3926 WAT H1 B 0.417000 1.0079 + 11778 SYS 3926 WAT H2 B 0.417000 1.0079 + 11779 SYS 3927 WAT O1 D -0.834000 15.9994 + 11780 SYS 3927 WAT H1 B 0.417000 1.0079 + 11781 SYS 3927 WAT H2 B 0.417000 1.0079 + 11782 SYS 3928 WAT O1 D -0.834000 15.9994 + 11783 SYS 3928 WAT H1 B 0.417000 1.0079 + 11784 SYS 3928 WAT H2 B 0.417000 1.0079 + 11785 SYS 3929 WAT O1 D -0.834000 15.9994 + 11786 SYS 3929 WAT H1 B 0.417000 1.0079 + 11787 SYS 3929 WAT H2 B 0.417000 1.0079 + 11788 SYS 3930 WAT O1 D -0.834000 15.9994 + 11789 SYS 3930 WAT H1 B 0.417000 1.0079 + 11790 SYS 3930 WAT H2 B 0.417000 1.0079 + 11791 SYS 3931 WAT O1 D -0.834000 15.9994 + 11792 SYS 3931 WAT H1 B 0.417000 1.0079 + 11793 SYS 3931 WAT H2 B 0.417000 1.0079 + 11794 SYS 3932 WAT O1 D -0.834000 15.9994 + 11795 SYS 3932 WAT H1 B 0.417000 1.0079 + 11796 SYS 3932 WAT H2 B 0.417000 1.0079 + 11797 SYS 3933 WAT O1 D -0.834000 15.9994 + 11798 SYS 3933 WAT H1 B 0.417000 1.0079 + 11799 SYS 3933 WAT H2 B 0.417000 1.0079 + 11800 SYS 3934 WAT O1 D -0.834000 15.9994 + 11801 SYS 3934 WAT H1 B 0.417000 1.0079 + 11802 SYS 3934 WAT H2 B 0.417000 1.0079 + 11803 SYS 3935 WAT O1 D -0.834000 15.9994 + 11804 SYS 3935 WAT H1 B 0.417000 1.0079 + 11805 SYS 3935 WAT H2 B 0.417000 1.0079 + 11806 SYS 3936 WAT O1 D -0.834000 15.9994 + 11807 SYS 3936 WAT H1 B 0.417000 1.0079 + 11808 SYS 3936 WAT H2 B 0.417000 1.0079 + 11809 SYS 3937 WAT O1 D -0.834000 15.9994 + 11810 SYS 3937 WAT H1 B 0.417000 1.0079 + 11811 SYS 3937 WAT H2 B 0.417000 1.0079 + 11812 SYS 3938 WAT O1 D -0.834000 15.9994 + 11813 SYS 3938 WAT H1 B 0.417000 1.0079 + 11814 SYS 3938 WAT H2 B 0.417000 1.0079 + 11815 SYS 3939 WAT O1 D -0.834000 15.9994 + 11816 SYS 3939 WAT H1 B 0.417000 1.0079 + 11817 SYS 3939 WAT H2 B 0.417000 1.0079 + 11818 SYS 3940 WAT O1 D -0.834000 15.9994 + 11819 SYS 3940 WAT H1 B 0.417000 1.0079 + 11820 SYS 3940 WAT H2 B 0.417000 1.0079 + 11821 SYS 3941 WAT O1 D -0.834000 15.9994 + 11822 SYS 3941 WAT H1 B 0.417000 1.0079 + 11823 SYS 3941 WAT H2 B 0.417000 1.0079 + 11824 SYS 3942 WAT O1 D -0.834000 15.9994 + 11825 SYS 3942 WAT H1 B 0.417000 1.0079 + 11826 SYS 3942 WAT H2 B 0.417000 1.0079 + 11827 SYS 3943 WAT O1 D -0.834000 15.9994 + 11828 SYS 3943 WAT H1 B 0.417000 1.0079 + 11829 SYS 3943 WAT H2 B 0.417000 1.0079 + 11830 SYS 3944 WAT O1 D -0.834000 15.9994 + 11831 SYS 3944 WAT H1 B 0.417000 1.0079 + 11832 SYS 3944 WAT H2 B 0.417000 1.0079 + 11833 SYS 3945 WAT O1 D -0.834000 15.9994 + 11834 SYS 3945 WAT H1 B 0.417000 1.0079 + 11835 SYS 3945 WAT H2 B 0.417000 1.0079 + 11836 SYS 3946 WAT O1 D -0.834000 15.9994 + 11837 SYS 3946 WAT H1 B 0.417000 1.0079 + 11838 SYS 3946 WAT H2 B 0.417000 1.0079 + 11839 SYS 3947 WAT O1 D -0.834000 15.9994 + 11840 SYS 3947 WAT H1 B 0.417000 1.0079 + 11841 SYS 3947 WAT H2 B 0.417000 1.0079 + 11842 SYS 3948 WAT O1 D -0.834000 15.9994 + 11843 SYS 3948 WAT H1 B 0.417000 1.0079 + 11844 SYS 3948 WAT H2 B 0.417000 1.0079 + 11845 SYS 3949 WAT O1 D -0.834000 15.9994 + 11846 SYS 3949 WAT H1 B 0.417000 1.0079 + 11847 SYS 3949 WAT H2 B 0.417000 1.0079 + 11848 SYS 3950 WAT O1 D -0.834000 15.9994 + 11849 SYS 3950 WAT H1 B 0.417000 1.0079 + 11850 SYS 3950 WAT H2 B 0.417000 1.0079 + 11851 SYS 3951 WAT O1 D -0.834000 15.9994 + 11852 SYS 3951 WAT H1 B 0.417000 1.0079 + 11853 SYS 3951 WAT H2 B 0.417000 1.0079 + 11854 SYS 3952 WAT O1 D -0.834000 15.9994 + 11855 SYS 3952 WAT H1 B 0.417000 1.0079 + 11856 SYS 3952 WAT H2 B 0.417000 1.0079 + 11857 SYS 3953 WAT O1 D -0.834000 15.9994 + 11858 SYS 3953 WAT H1 B 0.417000 1.0079 + 11859 SYS 3953 WAT H2 B 0.417000 1.0079 + 11860 SYS 3954 WAT O1 D -0.834000 15.9994 + 11861 SYS 3954 WAT H1 B 0.417000 1.0079 + 11862 SYS 3954 WAT H2 B 0.417000 1.0079 + 11863 SYS 3955 WAT O1 D -0.834000 15.9994 + 11864 SYS 3955 WAT H1 B 0.417000 1.0079 + 11865 SYS 3955 WAT H2 B 0.417000 1.0079 + 11866 SYS 3956 WAT O1 D -0.834000 15.9994 + 11867 SYS 3956 WAT H1 B 0.417000 1.0079 + 11868 SYS 3956 WAT H2 B 0.417000 1.0079 + 11869 SYS 3957 WAT O1 D -0.834000 15.9994 + 11870 SYS 3957 WAT H1 B 0.417000 1.0079 + 11871 SYS 3957 WAT H2 B 0.417000 1.0079 + 11872 SYS 3958 WAT O1 D -0.834000 15.9994 + 11873 SYS 3958 WAT H1 B 0.417000 1.0079 + 11874 SYS 3958 WAT H2 B 0.417000 1.0079 + 11875 SYS 3959 WAT O1 D -0.834000 15.9994 + 11876 SYS 3959 WAT H1 B 0.417000 1.0079 + 11877 SYS 3959 WAT H2 B 0.417000 1.0079 + 11878 SYS 3960 WAT O1 D -0.834000 15.9994 + 11879 SYS 3960 WAT H1 B 0.417000 1.0079 + 11880 SYS 3960 WAT H2 B 0.417000 1.0079 + 11881 SYS 3961 WAT O1 D -0.834000 15.9994 + 11882 SYS 3961 WAT H1 B 0.417000 1.0079 + 11883 SYS 3961 WAT H2 B 0.417000 1.0079 + 11884 SYS 3962 WAT O1 D -0.834000 15.9994 + 11885 SYS 3962 WAT H1 B 0.417000 1.0079 + 11886 SYS 3962 WAT H2 B 0.417000 1.0079 + 11887 SYS 3963 WAT O1 D -0.834000 15.9994 + 11888 SYS 3963 WAT H1 B 0.417000 1.0079 + 11889 SYS 3963 WAT H2 B 0.417000 1.0079 + 11890 SYS 3964 WAT O1 D -0.834000 15.9994 + 11891 SYS 3964 WAT H1 B 0.417000 1.0079 + 11892 SYS 3964 WAT H2 B 0.417000 1.0079 + 11893 SYS 3965 WAT O1 D -0.834000 15.9994 + 11894 SYS 3965 WAT H1 B 0.417000 1.0079 + 11895 SYS 3965 WAT H2 B 0.417000 1.0079 + 11896 SYS 3966 WAT O1 D -0.834000 15.9994 + 11897 SYS 3966 WAT H1 B 0.417000 1.0079 + 11898 SYS 3966 WAT H2 B 0.417000 1.0079 + 11899 SYS 3967 WAT O1 D -0.834000 15.9994 + 11900 SYS 3967 WAT H1 B 0.417000 1.0079 + 11901 SYS 3967 WAT H2 B 0.417000 1.0079 + 11902 SYS 3968 WAT O1 D -0.834000 15.9994 + 11903 SYS 3968 WAT H1 B 0.417000 1.0079 + 11904 SYS 3968 WAT H2 B 0.417000 1.0079 + 11905 SYS 3969 WAT O1 D -0.834000 15.9994 + 11906 SYS 3969 WAT H1 B 0.417000 1.0079 + 11907 SYS 3969 WAT H2 B 0.417000 1.0079 + 11908 SYS 3970 WAT O1 D -0.834000 15.9994 + 11909 SYS 3970 WAT H1 B 0.417000 1.0079 + 11910 SYS 3970 WAT H2 B 0.417000 1.0079 + 11911 SYS 3971 WAT O1 D -0.834000 15.9994 + 11912 SYS 3971 WAT H1 B 0.417000 1.0079 + 11913 SYS 3971 WAT H2 B 0.417000 1.0079 + 11914 SYS 3972 WAT O1 D -0.834000 15.9994 + 11915 SYS 3972 WAT H1 B 0.417000 1.0079 + 11916 SYS 3972 WAT H2 B 0.417000 1.0079 + 11917 SYS 3973 WAT O1 D -0.834000 15.9994 + 11918 SYS 3973 WAT H1 B 0.417000 1.0079 + 11919 SYS 3973 WAT H2 B 0.417000 1.0079 + 11920 SYS 3974 WAT O1 D -0.834000 15.9994 + 11921 SYS 3974 WAT H1 B 0.417000 1.0079 + 11922 SYS 3974 WAT H2 B 0.417000 1.0079 + 11923 SYS 3975 WAT O1 D -0.834000 15.9994 + 11924 SYS 3975 WAT H1 B 0.417000 1.0079 + 11925 SYS 3975 WAT H2 B 0.417000 1.0079 + 11926 SYS 3976 WAT O1 D -0.834000 15.9994 + 11927 SYS 3976 WAT H1 B 0.417000 1.0079 + 11928 SYS 3976 WAT H2 B 0.417000 1.0079 + 11929 SYS 3977 WAT O1 D -0.834000 15.9994 + 11930 SYS 3977 WAT H1 B 0.417000 1.0079 + 11931 SYS 3977 WAT H2 B 0.417000 1.0079 + 11932 SYS 3978 WAT O1 D -0.834000 15.9994 + 11933 SYS 3978 WAT H1 B 0.417000 1.0079 + 11934 SYS 3978 WAT H2 B 0.417000 1.0079 + 11935 SYS 3979 WAT O1 D -0.834000 15.9994 + 11936 SYS 3979 WAT H1 B 0.417000 1.0079 + 11937 SYS 3979 WAT H2 B 0.417000 1.0079 + 11938 SYS 3980 WAT O1 D -0.834000 15.9994 + 11939 SYS 3980 WAT H1 B 0.417000 1.0079 + 11940 SYS 3980 WAT H2 B 0.417000 1.0079 + 11941 SYS 3981 WAT O1 D -0.834000 15.9994 + 11942 SYS 3981 WAT H1 B 0.417000 1.0079 + 11943 SYS 3981 WAT H2 B 0.417000 1.0079 + 11944 SYS 3982 WAT O1 D -0.834000 15.9994 + 11945 SYS 3982 WAT H1 B 0.417000 1.0079 + 11946 SYS 3982 WAT H2 B 0.417000 1.0079 + 11947 SYS 3983 WAT O1 D -0.834000 15.9994 + 11948 SYS 3983 WAT H1 B 0.417000 1.0079 + 11949 SYS 3983 WAT H2 B 0.417000 1.0079 + 11950 SYS 3984 WAT O1 D -0.834000 15.9994 + 11951 SYS 3984 WAT H1 B 0.417000 1.0079 + 11952 SYS 3984 WAT H2 B 0.417000 1.0079 + 11953 SYS 3985 WAT O1 D -0.834000 15.9994 + 11954 SYS 3985 WAT H1 B 0.417000 1.0079 + 11955 SYS 3985 WAT H2 B 0.417000 1.0079 + 11956 SYS 3986 WAT O1 D -0.834000 15.9994 + 11957 SYS 3986 WAT H1 B 0.417000 1.0079 + 11958 SYS 3986 WAT H2 B 0.417000 1.0079 + 11959 SYS 3987 WAT O1 D -0.834000 15.9994 + 11960 SYS 3987 WAT H1 B 0.417000 1.0079 + 11961 SYS 3987 WAT H2 B 0.417000 1.0079 + 11962 SYS 3988 WAT O1 D -0.834000 15.9994 + 11963 SYS 3988 WAT H1 B 0.417000 1.0079 + 11964 SYS 3988 WAT H2 B 0.417000 1.0079 + 11965 SYS 3989 WAT O1 D -0.834000 15.9994 + 11966 SYS 3989 WAT H1 B 0.417000 1.0079 + 11967 SYS 3989 WAT H2 B 0.417000 1.0079 + 11968 SYS 3990 WAT O1 D -0.834000 15.9994 + 11969 SYS 3990 WAT H1 B 0.417000 1.0079 + 11970 SYS 3990 WAT H2 B 0.417000 1.0079 + 11971 SYS 3991 WAT O1 D -0.834000 15.9994 + 11972 SYS 3991 WAT H1 B 0.417000 1.0079 + 11973 SYS 3991 WAT H2 B 0.417000 1.0079 + 11974 SYS 3992 WAT O1 D -0.834000 15.9994 + 11975 SYS 3992 WAT H1 B 0.417000 1.0079 + 11976 SYS 3992 WAT H2 B 0.417000 1.0079 + 11977 SYS 3993 WAT O1 D -0.834000 15.9994 + 11978 SYS 3993 WAT H1 B 0.417000 1.0079 + 11979 SYS 3993 WAT H2 B 0.417000 1.0079 + 11980 SYS 3994 WAT O1 D -0.834000 15.9994 + 11981 SYS 3994 WAT H1 B 0.417000 1.0079 + 11982 SYS 3994 WAT H2 B 0.417000 1.0079 + 11983 SYS 3995 WAT O1 D -0.834000 15.9994 + 11984 SYS 3995 WAT H1 B 0.417000 1.0079 + 11985 SYS 3995 WAT H2 B 0.417000 1.0079 + 11986 SYS 3996 WAT O1 D -0.834000 15.9994 + 11987 SYS 3996 WAT H1 B 0.417000 1.0079 + 11988 SYS 3996 WAT H2 B 0.417000 1.0079 + 11989 SYS 3997 WAT O1 D -0.834000 15.9994 + 11990 SYS 3997 WAT H1 B 0.417000 1.0079 + 11991 SYS 3997 WAT H2 B 0.417000 1.0079 + 11992 SYS 3998 WAT O1 D -0.834000 15.9994 + 11993 SYS 3998 WAT H1 B 0.417000 1.0079 + 11994 SYS 3998 WAT H2 B 0.417000 1.0079 + 11995 SYS 3999 WAT O1 D -0.834000 15.9994 + 11996 SYS 3999 WAT H1 B 0.417000 1.0079 + 11997 SYS 3999 WAT H2 B 0.417000 1.0079 + 11998 SYS 4000 WAT O1 D -0.834000 15.9994 + 11999 SYS 4000 WAT H1 B 0.417000 1.0079 + 12000 SYS 4000 WAT H2 B 0.417000 1.0079 + 12001 SYS 4001 WAT O1 D -0.834000 15.9994 + 12002 SYS 4001 WAT H1 B 0.417000 1.0079 + 12003 SYS 4001 WAT H2 B 0.417000 1.0079 + 12004 SYS 4002 WAT O1 D -0.834000 15.9994 + 12005 SYS 4002 WAT H1 B 0.417000 1.0079 + 12006 SYS 4002 WAT H2 B 0.417000 1.0079 + 12007 SYS 4003 WAT O1 D -0.834000 15.9994 + 12008 SYS 4003 WAT H1 B 0.417000 1.0079 + 12009 SYS 4003 WAT H2 B 0.417000 1.0079 + 12010 SYS 4004 WAT O1 D -0.834000 15.9994 + 12011 SYS 4004 WAT H1 B 0.417000 1.0079 + 12012 SYS 4004 WAT H2 B 0.417000 1.0079 + 12013 SYS 4005 WAT O1 D -0.834000 15.9994 + 12014 SYS 4005 WAT H1 B 0.417000 1.0079 + 12015 SYS 4005 WAT H2 B 0.417000 1.0079 + 12016 SYS 4006 WAT O1 D -0.834000 15.9994 + 12017 SYS 4006 WAT H1 B 0.417000 1.0079 + 12018 SYS 4006 WAT H2 B 0.417000 1.0079 + 12019 SYS 4007 WAT O1 D -0.834000 15.9994 + 12020 SYS 4007 WAT H1 B 0.417000 1.0079 + 12021 SYS 4007 WAT H2 B 0.417000 1.0079 + 12022 SYS 4008 WAT O1 D -0.834000 15.9994 + 12023 SYS 4008 WAT H1 B 0.417000 1.0079 + 12024 SYS 4008 WAT H2 B 0.417000 1.0079 + 12025 SYS 4009 WAT O1 D -0.834000 15.9994 + 12026 SYS 4009 WAT H1 B 0.417000 1.0079 + 12027 SYS 4009 WAT H2 B 0.417000 1.0079 + 12028 SYS 4010 WAT O1 D -0.834000 15.9994 + 12029 SYS 4010 WAT H1 B 0.417000 1.0079 + 12030 SYS 4010 WAT H2 B 0.417000 1.0079 + 12031 SYS 4011 WAT O1 D -0.834000 15.9994 + 12032 SYS 4011 WAT H1 B 0.417000 1.0079 + 12033 SYS 4011 WAT H2 B 0.417000 1.0079 + 12034 SYS 4012 WAT O1 D -0.834000 15.9994 + 12035 SYS 4012 WAT H1 B 0.417000 1.0079 + 12036 SYS 4012 WAT H2 B 0.417000 1.0079 + 12037 SYS 4013 WAT O1 D -0.834000 15.9994 + 12038 SYS 4013 WAT H1 B 0.417000 1.0079 + 12039 SYS 4013 WAT H2 B 0.417000 1.0079 + 12040 SYS 4014 WAT O1 D -0.834000 15.9994 + 12041 SYS 4014 WAT H1 B 0.417000 1.0079 + 12042 SYS 4014 WAT H2 B 0.417000 1.0079 + 12043 SYS 4015 WAT O1 D -0.834000 15.9994 + 12044 SYS 4015 WAT H1 B 0.417000 1.0079 + 12045 SYS 4015 WAT H2 B 0.417000 1.0079 + 12046 SYS 4016 WAT O1 D -0.834000 15.9994 + 12047 SYS 4016 WAT H1 B 0.417000 1.0079 + 12048 SYS 4016 WAT H2 B 0.417000 1.0079 + 12049 SYS 4017 WAT O1 D -0.834000 15.9994 + 12050 SYS 4017 WAT H1 B 0.417000 1.0079 + 12051 SYS 4017 WAT H2 B 0.417000 1.0079 + 12052 SYS 4018 WAT O1 D -0.834000 15.9994 + 12053 SYS 4018 WAT H1 B 0.417000 1.0079 + 12054 SYS 4018 WAT H2 B 0.417000 1.0079 + 12055 SYS 4019 WAT O1 D -0.834000 15.9994 + 12056 SYS 4019 WAT H1 B 0.417000 1.0079 + 12057 SYS 4019 WAT H2 B 0.417000 1.0079 + 12058 SYS 4020 WAT O1 D -0.834000 15.9994 + 12059 SYS 4020 WAT H1 B 0.417000 1.0079 + 12060 SYS 4020 WAT H2 B 0.417000 1.0079 + 12061 SYS 4021 WAT O1 D -0.834000 15.9994 + 12062 SYS 4021 WAT H1 B 0.417000 1.0079 + 12063 SYS 4021 WAT H2 B 0.417000 1.0079 + 12064 SYS 4022 WAT O1 D -0.834000 15.9994 + 12065 SYS 4022 WAT H1 B 0.417000 1.0079 + 12066 SYS 4022 WAT H2 B 0.417000 1.0079 + 12067 SYS 4023 WAT O1 D -0.834000 15.9994 + 12068 SYS 4023 WAT H1 B 0.417000 1.0079 + 12069 SYS 4023 WAT H2 B 0.417000 1.0079 + 12070 SYS 4024 WAT O1 D -0.834000 15.9994 + 12071 SYS 4024 WAT H1 B 0.417000 1.0079 + 12072 SYS 4024 WAT H2 B 0.417000 1.0079 + 12073 SYS 4025 WAT O1 D -0.834000 15.9994 + 12074 SYS 4025 WAT H1 B 0.417000 1.0079 + 12075 SYS 4025 WAT H2 B 0.417000 1.0079 + 12076 SYS 4026 WAT O1 D -0.834000 15.9994 + 12077 SYS 4026 WAT H1 B 0.417000 1.0079 + 12078 SYS 4026 WAT H2 B 0.417000 1.0079 + 12079 SYS 4027 WAT O1 D -0.834000 15.9994 + 12080 SYS 4027 WAT H1 B 0.417000 1.0079 + 12081 SYS 4027 WAT H2 B 0.417000 1.0079 + 12082 SYS 4028 WAT O1 D -0.834000 15.9994 + 12083 SYS 4028 WAT H1 B 0.417000 1.0079 + 12084 SYS 4028 WAT H2 B 0.417000 1.0079 + 12085 SYS 4029 WAT O1 D -0.834000 15.9994 + 12086 SYS 4029 WAT H1 B 0.417000 1.0079 + 12087 SYS 4029 WAT H2 B 0.417000 1.0079 + 12088 SYS 4030 WAT O1 D -0.834000 15.9994 + 12089 SYS 4030 WAT H1 B 0.417000 1.0079 + 12090 SYS 4030 WAT H2 B 0.417000 1.0079 + 12091 SYS 4031 WAT O1 D -0.834000 15.9994 + 12092 SYS 4031 WAT H1 B 0.417000 1.0079 + 12093 SYS 4031 WAT H2 B 0.417000 1.0079 + 12094 SYS 4032 WAT O1 D -0.834000 15.9994 + 12095 SYS 4032 WAT H1 B 0.417000 1.0079 + 12096 SYS 4032 WAT H2 B 0.417000 1.0079 + 12097 SYS 4033 WAT O1 D -0.834000 15.9994 + 12098 SYS 4033 WAT H1 B 0.417000 1.0079 + 12099 SYS 4033 WAT H2 B 0.417000 1.0079 + 12100 SYS 4034 WAT O1 D -0.834000 15.9994 + 12101 SYS 4034 WAT H1 B 0.417000 1.0079 + 12102 SYS 4034 WAT H2 B 0.417000 1.0079 + 12103 SYS 4035 WAT O1 D -0.834000 15.9994 + 12104 SYS 4035 WAT H1 B 0.417000 1.0079 + 12105 SYS 4035 WAT H2 B 0.417000 1.0079 + 12106 SYS 4036 WAT O1 D -0.834000 15.9994 + 12107 SYS 4036 WAT H1 B 0.417000 1.0079 + 12108 SYS 4036 WAT H2 B 0.417000 1.0079 + 12109 SYS 4037 WAT O1 D -0.834000 15.9994 + 12110 SYS 4037 WAT H1 B 0.417000 1.0079 + 12111 SYS 4037 WAT H2 B 0.417000 1.0079 + 12112 SYS 4038 WAT O1 D -0.834000 15.9994 + 12113 SYS 4038 WAT H1 B 0.417000 1.0079 + 12114 SYS 4038 WAT H2 B 0.417000 1.0079 + 12115 SYS 4039 WAT O1 D -0.834000 15.9994 + 12116 SYS 4039 WAT H1 B 0.417000 1.0079 + 12117 SYS 4039 WAT H2 B 0.417000 1.0079 + 12118 SYS 4040 WAT O1 D -0.834000 15.9994 + 12119 SYS 4040 WAT H1 B 0.417000 1.0079 + 12120 SYS 4040 WAT H2 B 0.417000 1.0079 + 12121 SYS 4041 WAT O1 D -0.834000 15.9994 + 12122 SYS 4041 WAT H1 B 0.417000 1.0079 + 12123 SYS 4041 WAT H2 B 0.417000 1.0079 + 12124 SYS 4042 WAT O1 D -0.834000 15.9994 + 12125 SYS 4042 WAT H1 B 0.417000 1.0079 + 12126 SYS 4042 WAT H2 B 0.417000 1.0079 + 12127 SYS 4043 WAT O1 D -0.834000 15.9994 + 12128 SYS 4043 WAT H1 B 0.417000 1.0079 + 12129 SYS 4043 WAT H2 B 0.417000 1.0079 + 12130 SYS 4044 WAT O1 D -0.834000 15.9994 + 12131 SYS 4044 WAT H1 B 0.417000 1.0079 + 12132 SYS 4044 WAT H2 B 0.417000 1.0079 + 12133 SYS 4045 WAT O1 D -0.834000 15.9994 + 12134 SYS 4045 WAT H1 B 0.417000 1.0079 + 12135 SYS 4045 WAT H2 B 0.417000 1.0079 + 12136 SYS 4046 WAT O1 D -0.834000 15.9994 + 12137 SYS 4046 WAT H1 B 0.417000 1.0079 + 12138 SYS 4046 WAT H2 B 0.417000 1.0079 + 12139 SYS 4047 WAT O1 D -0.834000 15.9994 + 12140 SYS 4047 WAT H1 B 0.417000 1.0079 + 12141 SYS 4047 WAT H2 B 0.417000 1.0079 + 12142 SYS 4048 WAT O1 D -0.834000 15.9994 + 12143 SYS 4048 WAT H1 B 0.417000 1.0079 + 12144 SYS 4048 WAT H2 B 0.417000 1.0079 + 12145 SYS 4049 WAT O1 D -0.834000 15.9994 + 12146 SYS 4049 WAT H1 B 0.417000 1.0079 + 12147 SYS 4049 WAT H2 B 0.417000 1.0079 + 12148 SYS 4050 WAT O1 D -0.834000 15.9994 + 12149 SYS 4050 WAT H1 B 0.417000 1.0079 + 12150 SYS 4050 WAT H2 B 0.417000 1.0079 + 12151 SYS 4051 WAT O1 D -0.834000 15.9994 + 12152 SYS 4051 WAT H1 B 0.417000 1.0079 + 12153 SYS 4051 WAT H2 B 0.417000 1.0079 + 12154 SYS 4052 WAT O1 D -0.834000 15.9994 + 12155 SYS 4052 WAT H1 B 0.417000 1.0079 + 12156 SYS 4052 WAT H2 B 0.417000 1.0079 + 12157 SYS 4053 WAT O1 D -0.834000 15.9994 + 12158 SYS 4053 WAT H1 B 0.417000 1.0079 + 12159 SYS 4053 WAT H2 B 0.417000 1.0079 + 12160 SYS 4054 WAT O1 D -0.834000 15.9994 + 12161 SYS 4054 WAT H1 B 0.417000 1.0079 + 12162 SYS 4054 WAT H2 B 0.417000 1.0079 + 12163 SYS 4055 WAT O1 D -0.834000 15.9994 + 12164 SYS 4055 WAT H1 B 0.417000 1.0079 + 12165 SYS 4055 WAT H2 B 0.417000 1.0079 + 12166 SYS 4056 WAT O1 D -0.834000 15.9994 + 12167 SYS 4056 WAT H1 B 0.417000 1.0079 + 12168 SYS 4056 WAT H2 B 0.417000 1.0079 + 12169 SYS 4057 WAT O1 D -0.834000 15.9994 + 12170 SYS 4057 WAT H1 B 0.417000 1.0079 + 12171 SYS 4057 WAT H2 B 0.417000 1.0079 + 12172 SYS 4058 WAT O1 D -0.834000 15.9994 + 12173 SYS 4058 WAT H1 B 0.417000 1.0079 + 12174 SYS 4058 WAT H2 B 0.417000 1.0079 + 12175 SYS 4059 WAT O1 D -0.834000 15.9994 + 12176 SYS 4059 WAT H1 B 0.417000 1.0079 + 12177 SYS 4059 WAT H2 B 0.417000 1.0079 + 12178 SYS 4060 WAT O1 D -0.834000 15.9994 + 12179 SYS 4060 WAT H1 B 0.417000 1.0079 + 12180 SYS 4060 WAT H2 B 0.417000 1.0079 + 12181 SYS 4061 WAT O1 D -0.834000 15.9994 + 12182 SYS 4061 WAT H1 B 0.417000 1.0079 + 12183 SYS 4061 WAT H2 B 0.417000 1.0079 + 12184 SYS 4062 WAT O1 D -0.834000 15.9994 + 12185 SYS 4062 WAT H1 B 0.417000 1.0079 + 12186 SYS 4062 WAT H2 B 0.417000 1.0079 + 12187 SYS 4063 WAT O1 D -0.834000 15.9994 + 12188 SYS 4063 WAT H1 B 0.417000 1.0079 + 12189 SYS 4063 WAT H2 B 0.417000 1.0079 + 12190 SYS 4064 WAT O1 D -0.834000 15.9994 + 12191 SYS 4064 WAT H1 B 0.417000 1.0079 + 12192 SYS 4064 WAT H2 B 0.417000 1.0079 + 12193 SYS 4065 WAT O1 D -0.834000 15.9994 + 12194 SYS 4065 WAT H1 B 0.417000 1.0079 + 12195 SYS 4065 WAT H2 B 0.417000 1.0079 + 12196 SYS 4066 WAT O1 D -0.834000 15.9994 + 12197 SYS 4066 WAT H1 B 0.417000 1.0079 + 12198 SYS 4066 WAT H2 B 0.417000 1.0079 + 12199 SYS 4067 WAT O1 D -0.834000 15.9994 + 12200 SYS 4067 WAT H1 B 0.417000 1.0079 + 12201 SYS 4067 WAT H2 B 0.417000 1.0079 + 12202 SYS 4068 WAT O1 D -0.834000 15.9994 + 12203 SYS 4068 WAT H1 B 0.417000 1.0079 + 12204 SYS 4068 WAT H2 B 0.417000 1.0079 + 12205 SYS 4069 WAT O1 D -0.834000 15.9994 + 12206 SYS 4069 WAT H1 B 0.417000 1.0079 + 12207 SYS 4069 WAT H2 B 0.417000 1.0079 + 12208 SYS 4070 WAT O1 D -0.834000 15.9994 + 12209 SYS 4070 WAT H1 B 0.417000 1.0079 + 12210 SYS 4070 WAT H2 B 0.417000 1.0079 + 12211 SYS 4071 WAT O1 D -0.834000 15.9994 + 12212 SYS 4071 WAT H1 B 0.417000 1.0079 + 12213 SYS 4071 WAT H2 B 0.417000 1.0079 + 12214 SYS 4072 WAT O1 D -0.834000 15.9994 + 12215 SYS 4072 WAT H1 B 0.417000 1.0079 + 12216 SYS 4072 WAT H2 B 0.417000 1.0079 + 12217 SYS 4073 WAT O1 D -0.834000 15.9994 + 12218 SYS 4073 WAT H1 B 0.417000 1.0079 + 12219 SYS 4073 WAT H2 B 0.417000 1.0079 + 12220 SYS 4074 WAT O1 D -0.834000 15.9994 + 12221 SYS 4074 WAT H1 B 0.417000 1.0079 + 12222 SYS 4074 WAT H2 B 0.417000 1.0079 + 12223 SYS 4075 WAT O1 D -0.834000 15.9994 + 12224 SYS 4075 WAT H1 B 0.417000 1.0079 + 12225 SYS 4075 WAT H2 B 0.417000 1.0079 + 12226 SYS 4076 WAT O1 D -0.834000 15.9994 + 12227 SYS 4076 WAT H1 B 0.417000 1.0079 + 12228 SYS 4076 WAT H2 B 0.417000 1.0079 + 12229 SYS 4077 WAT O1 D -0.834000 15.9994 + 12230 SYS 4077 WAT H1 B 0.417000 1.0079 + 12231 SYS 4077 WAT H2 B 0.417000 1.0079 + 12232 SYS 4078 WAT O1 D -0.834000 15.9994 + 12233 SYS 4078 WAT H1 B 0.417000 1.0079 + 12234 SYS 4078 WAT H2 B 0.417000 1.0079 + 12235 SYS 4079 WAT O1 D -0.834000 15.9994 + 12236 SYS 4079 WAT H1 B 0.417000 1.0079 + 12237 SYS 4079 WAT H2 B 0.417000 1.0079 + 12238 SYS 4080 WAT O1 D -0.834000 15.9994 + 12239 SYS 4080 WAT H1 B 0.417000 1.0079 + 12240 SYS 4080 WAT H2 B 0.417000 1.0079 + 12241 SYS 4081 WAT O1 D -0.834000 15.9994 + 12242 SYS 4081 WAT H1 B 0.417000 1.0079 + 12243 SYS 4081 WAT H2 B 0.417000 1.0079 + 12244 SYS 4082 WAT O1 D -0.834000 15.9994 + 12245 SYS 4082 WAT H1 B 0.417000 1.0079 + 12246 SYS 4082 WAT H2 B 0.417000 1.0079 + 12247 SYS 4083 WAT O1 D -0.834000 15.9994 + 12248 SYS 4083 WAT H1 B 0.417000 1.0079 + 12249 SYS 4083 WAT H2 B 0.417000 1.0079 + 12250 SYS 4084 WAT O1 D -0.834000 15.9994 + 12251 SYS 4084 WAT H1 B 0.417000 1.0079 + 12252 SYS 4084 WAT H2 B 0.417000 1.0079 + 12253 SYS 4085 WAT O1 D -0.834000 15.9994 + 12254 SYS 4085 WAT H1 B 0.417000 1.0079 + 12255 SYS 4085 WAT H2 B 0.417000 1.0079 + 12256 SYS 4086 WAT O1 D -0.834000 15.9994 + 12257 SYS 4086 WAT H1 B 0.417000 1.0079 + 12258 SYS 4086 WAT H2 B 0.417000 1.0079 + 12259 SYS 4087 WAT O1 D -0.834000 15.9994 + 12260 SYS 4087 WAT H1 B 0.417000 1.0079 + 12261 SYS 4087 WAT H2 B 0.417000 1.0079 + 12262 SYS 4088 WAT O1 D -0.834000 15.9994 + 12263 SYS 4088 WAT H1 B 0.417000 1.0079 + 12264 SYS 4088 WAT H2 B 0.417000 1.0079 + 12265 SYS 4089 WAT O1 D -0.834000 15.9994 + 12266 SYS 4089 WAT H1 B 0.417000 1.0079 + 12267 SYS 4089 WAT H2 B 0.417000 1.0079 + 12268 SYS 4090 WAT O1 D -0.834000 15.9994 + 12269 SYS 4090 WAT H1 B 0.417000 1.0079 + 12270 SYS 4090 WAT H2 B 0.417000 1.0079 + 12271 SYS 4091 WAT O1 D -0.834000 15.9994 + 12272 SYS 4091 WAT H1 B 0.417000 1.0079 + 12273 SYS 4091 WAT H2 B 0.417000 1.0079 + 12274 SYS 4092 WAT O1 D -0.834000 15.9994 + 12275 SYS 4092 WAT H1 B 0.417000 1.0079 + 12276 SYS 4092 WAT H2 B 0.417000 1.0079 + 12277 SYS 4093 WAT O1 D -0.834000 15.9994 + 12278 SYS 4093 WAT H1 B 0.417000 1.0079 + 12279 SYS 4093 WAT H2 B 0.417000 1.0079 + 12280 SYS 4094 WAT O1 D -0.834000 15.9994 + 12281 SYS 4094 WAT H1 B 0.417000 1.0079 + 12282 SYS 4094 WAT H2 B 0.417000 1.0079 + 12283 SYS 4095 WAT O1 D -0.834000 15.9994 + 12284 SYS 4095 WAT H1 B 0.417000 1.0079 + 12285 SYS 4095 WAT H2 B 0.417000 1.0079 + 12286 SYS 4096 WAT O1 D -0.834000 15.9994 + 12287 SYS 4096 WAT H1 B 0.417000 1.0079 + 12288 SYS 4096 WAT H2 B 0.417000 1.0079 + 12289 SYS 4097 WAT O1 D -0.834000 15.9994 + 12290 SYS 4097 WAT H1 B 0.417000 1.0079 + 12291 SYS 4097 WAT H2 B 0.417000 1.0079 + 12292 SYS 4098 WAT O1 D -0.834000 15.9994 + 12293 SYS 4098 WAT H1 B 0.417000 1.0079 + 12294 SYS 4098 WAT H2 B 0.417000 1.0079 + 12295 SYS 4099 WAT O1 D -0.834000 15.9994 + 12296 SYS 4099 WAT H1 B 0.417000 1.0079 + 12297 SYS 4099 WAT H2 B 0.417000 1.0079 + 12298 SYS 4100 WAT O1 D -0.834000 15.9994 + 12299 SYS 4100 WAT H1 B 0.417000 1.0079 + 12300 SYS 4100 WAT H2 B 0.417000 1.0079 + 12301 SYS 4101 WAT O1 D -0.834000 15.9994 + 12302 SYS 4101 WAT H1 B 0.417000 1.0079 + 12303 SYS 4101 WAT H2 B 0.417000 1.0079 + 12304 SYS 4102 WAT O1 D -0.834000 15.9994 + 12305 SYS 4102 WAT H1 B 0.417000 1.0079 + 12306 SYS 4102 WAT H2 B 0.417000 1.0079 + 12307 SYS 4103 WAT O1 D -0.834000 15.9994 + 12308 SYS 4103 WAT H1 B 0.417000 1.0079 + 12309 SYS 4103 WAT H2 B 0.417000 1.0079 + 12310 SYS 4104 WAT O1 D -0.834000 15.9994 + 12311 SYS 4104 WAT H1 B 0.417000 1.0079 + 12312 SYS 4104 WAT H2 B 0.417000 1.0079 + 12313 SYS 4105 WAT O1 D -0.834000 15.9994 + 12314 SYS 4105 WAT H1 B 0.417000 1.0079 + 12315 SYS 4105 WAT H2 B 0.417000 1.0079 + 12316 SYS 4106 WAT O1 D -0.834000 15.9994 + 12317 SYS 4106 WAT H1 B 0.417000 1.0079 + 12318 SYS 4106 WAT H2 B 0.417000 1.0079 + 12319 SYS 4107 WAT O1 D -0.834000 15.9994 + 12320 SYS 4107 WAT H1 B 0.417000 1.0079 + 12321 SYS 4107 WAT H2 B 0.417000 1.0079 + 12322 SYS 4108 WAT O1 D -0.834000 15.9994 + 12323 SYS 4108 WAT H1 B 0.417000 1.0079 + 12324 SYS 4108 WAT H2 B 0.417000 1.0079 + 12325 SYS 4109 WAT O1 D -0.834000 15.9994 + 12326 SYS 4109 WAT H1 B 0.417000 1.0079 + 12327 SYS 4109 WAT H2 B 0.417000 1.0079 + 12328 SYS 4110 WAT O1 D -0.834000 15.9994 + 12329 SYS 4110 WAT H1 B 0.417000 1.0079 + 12330 SYS 4110 WAT H2 B 0.417000 1.0079 + 12331 SYS 4111 WAT O1 D -0.834000 15.9994 + 12332 SYS 4111 WAT H1 B 0.417000 1.0079 + 12333 SYS 4111 WAT H2 B 0.417000 1.0079 + 12334 SYS 4112 WAT O1 D -0.834000 15.9994 + 12335 SYS 4112 WAT H1 B 0.417000 1.0079 + 12336 SYS 4112 WAT H2 B 0.417000 1.0079 + 12337 SYS 4113 WAT O1 D -0.834000 15.9994 + 12338 SYS 4113 WAT H1 B 0.417000 1.0079 + 12339 SYS 4113 WAT H2 B 0.417000 1.0079 + 12340 SYS 4114 WAT O1 D -0.834000 15.9994 + 12341 SYS 4114 WAT H1 B 0.417000 1.0079 + 12342 SYS 4114 WAT H2 B 0.417000 1.0079 + 12343 SYS 4115 WAT O1 D -0.834000 15.9994 + 12344 SYS 4115 WAT H1 B 0.417000 1.0079 + 12345 SYS 4115 WAT H2 B 0.417000 1.0079 + 12346 SYS 4116 WAT O1 D -0.834000 15.9994 + 12347 SYS 4116 WAT H1 B 0.417000 1.0079 + 12348 SYS 4116 WAT H2 B 0.417000 1.0079 + 12349 SYS 4117 WAT O1 D -0.834000 15.9994 + 12350 SYS 4117 WAT H1 B 0.417000 1.0079 + 12351 SYS 4117 WAT H2 B 0.417000 1.0079 + 12352 SYS 4118 WAT O1 D -0.834000 15.9994 + 12353 SYS 4118 WAT H1 B 0.417000 1.0079 + 12354 SYS 4118 WAT H2 B 0.417000 1.0079 + 12355 SYS 4119 WAT O1 D -0.834000 15.9994 + 12356 SYS 4119 WAT H1 B 0.417000 1.0079 + 12357 SYS 4119 WAT H2 B 0.417000 1.0079 + 12358 SYS 4120 WAT O1 D -0.834000 15.9994 + 12359 SYS 4120 WAT H1 B 0.417000 1.0079 + 12360 SYS 4120 WAT H2 B 0.417000 1.0079 + 12361 SYS 4121 WAT O1 D -0.834000 15.9994 + 12362 SYS 4121 WAT H1 B 0.417000 1.0079 + 12363 SYS 4121 WAT H2 B 0.417000 1.0079 + 12364 SYS 4122 WAT O1 D -0.834000 15.9994 + 12365 SYS 4122 WAT H1 B 0.417000 1.0079 + 12366 SYS 4122 WAT H2 B 0.417000 1.0079 + 12367 SYS 4123 WAT O1 D -0.834000 15.9994 + 12368 SYS 4123 WAT H1 B 0.417000 1.0079 + 12369 SYS 4123 WAT H2 B 0.417000 1.0079 + 12370 SYS 4124 WAT O1 D -0.834000 15.9994 + 12371 SYS 4124 WAT H1 B 0.417000 1.0079 + 12372 SYS 4124 WAT H2 B 0.417000 1.0079 + 12373 SYS 4125 WAT O1 D -0.834000 15.9994 + 12374 SYS 4125 WAT H1 B 0.417000 1.0079 + 12375 SYS 4125 WAT H2 B 0.417000 1.0079 + 12376 SYS 4126 WAT O1 D -0.834000 15.9994 + 12377 SYS 4126 WAT H1 B 0.417000 1.0079 + 12378 SYS 4126 WAT H2 B 0.417000 1.0079 + 12379 SYS 4127 WAT O1 D -0.834000 15.9994 + 12380 SYS 4127 WAT H1 B 0.417000 1.0079 + 12381 SYS 4127 WAT H2 B 0.417000 1.0079 + 12382 SYS 4128 WAT O1 D -0.834000 15.9994 + 12383 SYS 4128 WAT H1 B 0.417000 1.0079 + 12384 SYS 4128 WAT H2 B 0.417000 1.0079 + 12385 SYS 4129 WAT O1 D -0.834000 15.9994 + 12386 SYS 4129 WAT H1 B 0.417000 1.0079 + 12387 SYS 4129 WAT H2 B 0.417000 1.0079 + 12388 SYS 4130 WAT O1 D -0.834000 15.9994 + 12389 SYS 4130 WAT H1 B 0.417000 1.0079 + 12390 SYS 4130 WAT H2 B 0.417000 1.0079 + 12391 SYS 4131 WAT O1 D -0.834000 15.9994 + 12392 SYS 4131 WAT H1 B 0.417000 1.0079 + 12393 SYS 4131 WAT H2 B 0.417000 1.0079 + 12394 SYS 4132 WAT O1 D -0.834000 15.9994 + 12395 SYS 4132 WAT H1 B 0.417000 1.0079 + 12396 SYS 4132 WAT H2 B 0.417000 1.0079 + 12397 SYS 4133 WAT O1 D -0.834000 15.9994 + 12398 SYS 4133 WAT H1 B 0.417000 1.0079 + 12399 SYS 4133 WAT H2 B 0.417000 1.0079 + 12400 SYS 4134 WAT O1 D -0.834000 15.9994 + 12401 SYS 4134 WAT H1 B 0.417000 1.0079 + 12402 SYS 4134 WAT H2 B 0.417000 1.0079 + 12403 SYS 4135 WAT O1 D -0.834000 15.9994 + 12404 SYS 4135 WAT H1 B 0.417000 1.0079 + 12405 SYS 4135 WAT H2 B 0.417000 1.0079 + 12406 SYS 4136 WAT O1 D -0.834000 15.9994 + 12407 SYS 4136 WAT H1 B 0.417000 1.0079 + 12408 SYS 4136 WAT H2 B 0.417000 1.0079 + 12409 SYS 4137 WAT O1 D -0.834000 15.9994 + 12410 SYS 4137 WAT H1 B 0.417000 1.0079 + 12411 SYS 4137 WAT H2 B 0.417000 1.0079 + 12412 SYS 4138 WAT O1 D -0.834000 15.9994 + 12413 SYS 4138 WAT H1 B 0.417000 1.0079 + 12414 SYS 4138 WAT H2 B 0.417000 1.0079 + 12415 SYS 4139 WAT O1 D -0.834000 15.9994 + 12416 SYS 4139 WAT H1 B 0.417000 1.0079 + 12417 SYS 4139 WAT H2 B 0.417000 1.0079 + 12418 SYS 4140 WAT O1 D -0.834000 15.9994 + 12419 SYS 4140 WAT H1 B 0.417000 1.0079 + 12420 SYS 4140 WAT H2 B 0.417000 1.0079 + 12421 SYS 4141 WAT O1 D -0.834000 15.9994 + 12422 SYS 4141 WAT H1 B 0.417000 1.0079 + 12423 SYS 4141 WAT H2 B 0.417000 1.0079 + 12424 SYS 4142 WAT O1 D -0.834000 15.9994 + 12425 SYS 4142 WAT H1 B 0.417000 1.0079 + 12426 SYS 4142 WAT H2 B 0.417000 1.0079 + 12427 SYS 4143 WAT O1 D -0.834000 15.9994 + 12428 SYS 4143 WAT H1 B 0.417000 1.0079 + 12429 SYS 4143 WAT H2 B 0.417000 1.0079 + 12430 SYS 4144 WAT O1 D -0.834000 15.9994 + 12431 SYS 4144 WAT H1 B 0.417000 1.0079 + 12432 SYS 4144 WAT H2 B 0.417000 1.0079 + 12433 SYS 4145 WAT O1 D -0.834000 15.9994 + 12434 SYS 4145 WAT H1 B 0.417000 1.0079 + 12435 SYS 4145 WAT H2 B 0.417000 1.0079 + 12436 SYS 4146 WAT O1 D -0.834000 15.9994 + 12437 SYS 4146 WAT H1 B 0.417000 1.0079 + 12438 SYS 4146 WAT H2 B 0.417000 1.0079 + 12439 SYS 4147 WAT O1 D -0.834000 15.9994 + 12440 SYS 4147 WAT H1 B 0.417000 1.0079 + 12441 SYS 4147 WAT H2 B 0.417000 1.0079 + 12442 SYS 4148 WAT O1 D -0.834000 15.9994 + 12443 SYS 4148 WAT H1 B 0.417000 1.0079 + 12444 SYS 4148 WAT H2 B 0.417000 1.0079 + 12445 SYS 4149 WAT O1 D -0.834000 15.9994 + 12446 SYS 4149 WAT H1 B 0.417000 1.0079 + 12447 SYS 4149 WAT H2 B 0.417000 1.0079 + 12448 SYS 4150 WAT O1 D -0.834000 15.9994 + 12449 SYS 4150 WAT H1 B 0.417000 1.0079 + 12450 SYS 4150 WAT H2 B 0.417000 1.0079 + 12451 SYS 4151 WAT O1 D -0.834000 15.9994 + 12452 SYS 4151 WAT H1 B 0.417000 1.0079 + 12453 SYS 4151 WAT H2 B 0.417000 1.0079 + 12454 SYS 4152 WAT O1 D -0.834000 15.9994 + 12455 SYS 4152 WAT H1 B 0.417000 1.0079 + 12456 SYS 4152 WAT H2 B 0.417000 1.0079 + 12457 SYS 4153 WAT O1 D -0.834000 15.9994 + 12458 SYS 4153 WAT H1 B 0.417000 1.0079 + 12459 SYS 4153 WAT H2 B 0.417000 1.0079 + 12460 SYS 4154 WAT O1 D -0.834000 15.9994 + 12461 SYS 4154 WAT H1 B 0.417000 1.0079 + 12462 SYS 4154 WAT H2 B 0.417000 1.0079 + 12463 SYS 4155 WAT O1 D -0.834000 15.9994 + 12464 SYS 4155 WAT H1 B 0.417000 1.0079 + 12465 SYS 4155 WAT H2 B 0.417000 1.0079 + 12466 SYS 4156 WAT O1 D -0.834000 15.9994 + 12467 SYS 4156 WAT H1 B 0.417000 1.0079 + 12468 SYS 4156 WAT H2 B 0.417000 1.0079 + 12469 SYS 4157 WAT O1 D -0.834000 15.9994 + 12470 SYS 4157 WAT H1 B 0.417000 1.0079 + 12471 SYS 4157 WAT H2 B 0.417000 1.0079 + 12472 SYS 4158 WAT O1 D -0.834000 15.9994 + 12473 SYS 4158 WAT H1 B 0.417000 1.0079 + 12474 SYS 4158 WAT H2 B 0.417000 1.0079 + 12475 SYS 4159 WAT O1 D -0.834000 15.9994 + 12476 SYS 4159 WAT H1 B 0.417000 1.0079 + 12477 SYS 4159 WAT H2 B 0.417000 1.0079 + 12478 SYS 4160 WAT O1 D -0.834000 15.9994 + 12479 SYS 4160 WAT H1 B 0.417000 1.0079 + 12480 SYS 4160 WAT H2 B 0.417000 1.0079 + 12481 SYS 4161 WAT O1 D -0.834000 15.9994 + 12482 SYS 4161 WAT H1 B 0.417000 1.0079 + 12483 SYS 4161 WAT H2 B 0.417000 1.0079 + 12484 SYS 4162 WAT O1 D -0.834000 15.9994 + 12485 SYS 4162 WAT H1 B 0.417000 1.0079 + 12486 SYS 4162 WAT H2 B 0.417000 1.0079 + 12487 SYS 4163 WAT O1 D -0.834000 15.9994 + 12488 SYS 4163 WAT H1 B 0.417000 1.0079 + 12489 SYS 4163 WAT H2 B 0.417000 1.0079 + 12490 SYS 4164 WAT O1 D -0.834000 15.9994 + 12491 SYS 4164 WAT H1 B 0.417000 1.0079 + 12492 SYS 4164 WAT H2 B 0.417000 1.0079 + 12493 SYS 4165 WAT O1 D -0.834000 15.9994 + 12494 SYS 4165 WAT H1 B 0.417000 1.0079 + 12495 SYS 4165 WAT H2 B 0.417000 1.0079 + 12496 SYS 4166 WAT O1 D -0.834000 15.9994 + 12497 SYS 4166 WAT H1 B 0.417000 1.0079 + 12498 SYS 4166 WAT H2 B 0.417000 1.0079 + 12499 SYS 4167 WAT O1 D -0.834000 15.9994 + 12500 SYS 4167 WAT H1 B 0.417000 1.0079 + 12501 SYS 4167 WAT H2 B 0.417000 1.0079 + 12502 SYS 4168 WAT O1 D -0.834000 15.9994 + 12503 SYS 4168 WAT H1 B 0.417000 1.0079 + 12504 SYS 4168 WAT H2 B 0.417000 1.0079 + 12505 SYS 4169 WAT O1 D -0.834000 15.9994 + 12506 SYS 4169 WAT H1 B 0.417000 1.0079 + 12507 SYS 4169 WAT H2 B 0.417000 1.0079 + 12508 SYS 4170 WAT O1 D -0.834000 15.9994 + 12509 SYS 4170 WAT H1 B 0.417000 1.0079 + 12510 SYS 4170 WAT H2 B 0.417000 1.0079 + 12511 SYS 4171 WAT O1 D -0.834000 15.9994 + 12512 SYS 4171 WAT H1 B 0.417000 1.0079 + 12513 SYS 4171 WAT H2 B 0.417000 1.0079 + 12514 SYS 4172 WAT O1 D -0.834000 15.9994 + 12515 SYS 4172 WAT H1 B 0.417000 1.0079 + 12516 SYS 4172 WAT H2 B 0.417000 1.0079 + 12517 SYS 4173 WAT O1 D -0.834000 15.9994 + 12518 SYS 4173 WAT H1 B 0.417000 1.0079 + 12519 SYS 4173 WAT H2 B 0.417000 1.0079 + 12520 SYS 4174 WAT O1 D -0.834000 15.9994 + 12521 SYS 4174 WAT H1 B 0.417000 1.0079 + 12522 SYS 4174 WAT H2 B 0.417000 1.0079 + 12523 SYS 4175 WAT O1 D -0.834000 15.9994 + 12524 SYS 4175 WAT H1 B 0.417000 1.0079 + 12525 SYS 4175 WAT H2 B 0.417000 1.0079 + 12526 SYS 4176 WAT O1 D -0.834000 15.9994 + 12527 SYS 4176 WAT H1 B 0.417000 1.0079 + 12528 SYS 4176 WAT H2 B 0.417000 1.0079 + 12529 SYS 4177 WAT O1 D -0.834000 15.9994 + 12530 SYS 4177 WAT H1 B 0.417000 1.0079 + 12531 SYS 4177 WAT H2 B 0.417000 1.0079 + 12532 SYS 4178 WAT O1 D -0.834000 15.9994 + 12533 SYS 4178 WAT H1 B 0.417000 1.0079 + 12534 SYS 4178 WAT H2 B 0.417000 1.0079 + 12535 SYS 4179 WAT O1 D -0.834000 15.9994 + 12536 SYS 4179 WAT H1 B 0.417000 1.0079 + 12537 SYS 4179 WAT H2 B 0.417000 1.0079 + 12538 SYS 4180 WAT O1 D -0.834000 15.9994 + 12539 SYS 4180 WAT H1 B 0.417000 1.0079 + 12540 SYS 4180 WAT H2 B 0.417000 1.0079 + 12541 SYS 4181 WAT O1 D -0.834000 15.9994 + 12542 SYS 4181 WAT H1 B 0.417000 1.0079 + 12543 SYS 4181 WAT H2 B 0.417000 1.0079 + 12544 SYS 4182 WAT O1 D -0.834000 15.9994 + 12545 SYS 4182 WAT H1 B 0.417000 1.0079 + 12546 SYS 4182 WAT H2 B 0.417000 1.0079 + 12547 SYS 4183 WAT O1 D -0.834000 15.9994 + 12548 SYS 4183 WAT H1 B 0.417000 1.0079 + 12549 SYS 4183 WAT H2 B 0.417000 1.0079 + 12550 SYS 4184 WAT O1 D -0.834000 15.9994 + 12551 SYS 4184 WAT H1 B 0.417000 1.0079 + 12552 SYS 4184 WAT H2 B 0.417000 1.0079 + 12553 SYS 4185 WAT O1 D -0.834000 15.9994 + 12554 SYS 4185 WAT H1 B 0.417000 1.0079 + 12555 SYS 4185 WAT H2 B 0.417000 1.0079 + 12556 SYS 4186 WAT O1 D -0.834000 15.9994 + 12557 SYS 4186 WAT H1 B 0.417000 1.0079 + 12558 SYS 4186 WAT H2 B 0.417000 1.0079 + 12559 SYS 4187 WAT O1 D -0.834000 15.9994 + 12560 SYS 4187 WAT H1 B 0.417000 1.0079 + 12561 SYS 4187 WAT H2 B 0.417000 1.0079 + 12562 SYS 4188 WAT O1 D -0.834000 15.9994 + 12563 SYS 4188 WAT H1 B 0.417000 1.0079 + 12564 SYS 4188 WAT H2 B 0.417000 1.0079 + 12565 SYS 4189 WAT O1 D -0.834000 15.9994 + 12566 SYS 4189 WAT H1 B 0.417000 1.0079 + 12567 SYS 4189 WAT H2 B 0.417000 1.0079 + 12568 SYS 4190 WAT O1 D -0.834000 15.9994 + 12569 SYS 4190 WAT H1 B 0.417000 1.0079 + 12570 SYS 4190 WAT H2 B 0.417000 1.0079 + 12571 SYS 4191 WAT O1 D -0.834000 15.9994 + 12572 SYS 4191 WAT H1 B 0.417000 1.0079 + 12573 SYS 4191 WAT H2 B 0.417000 1.0079 + 12574 SYS 4192 WAT O1 D -0.834000 15.9994 + 12575 SYS 4192 WAT H1 B 0.417000 1.0079 + 12576 SYS 4192 WAT H2 B 0.417000 1.0079 + 12577 SYS 4193 WAT O1 D -0.834000 15.9994 + 12578 SYS 4193 WAT H1 B 0.417000 1.0079 + 12579 SYS 4193 WAT H2 B 0.417000 1.0079 + 12580 SYS 4194 WAT O1 D -0.834000 15.9994 + 12581 SYS 4194 WAT H1 B 0.417000 1.0079 + 12582 SYS 4194 WAT H2 B 0.417000 1.0079 + 12583 SYS 4195 WAT O1 D -0.834000 15.9994 + 12584 SYS 4195 WAT H1 B 0.417000 1.0079 + 12585 SYS 4195 WAT H2 B 0.417000 1.0079 + 12586 SYS 4196 WAT O1 D -0.834000 15.9994 + 12587 SYS 4196 WAT H1 B 0.417000 1.0079 + 12588 SYS 4196 WAT H2 B 0.417000 1.0079 + 12589 SYS 4197 WAT O1 D -0.834000 15.9994 + 12590 SYS 4197 WAT H1 B 0.417000 1.0079 + 12591 SYS 4197 WAT H2 B 0.417000 1.0079 + 12592 SYS 4198 WAT O1 D -0.834000 15.9994 + 12593 SYS 4198 WAT H1 B 0.417000 1.0079 + 12594 SYS 4198 WAT H2 B 0.417000 1.0079 + 12595 SYS 4199 WAT O1 D -0.834000 15.9994 + 12596 SYS 4199 WAT H1 B 0.417000 1.0079 + 12597 SYS 4199 WAT H2 B 0.417000 1.0079 + 12598 SYS 4200 WAT O1 D -0.834000 15.9994 + 12599 SYS 4200 WAT H1 B 0.417000 1.0079 + 12600 SYS 4200 WAT H2 B 0.417000 1.0079 + 12601 SYS 4201 WAT O1 D -0.834000 15.9994 + 12602 SYS 4201 WAT H1 B 0.417000 1.0079 + 12603 SYS 4201 WAT H2 B 0.417000 1.0079 + 12604 SYS 4202 WAT O1 D -0.834000 15.9994 + 12605 SYS 4202 WAT H1 B 0.417000 1.0079 + 12606 SYS 4202 WAT H2 B 0.417000 1.0079 + 12607 SYS 4203 WAT O1 D -0.834000 15.9994 + 12608 SYS 4203 WAT H1 B 0.417000 1.0079 + 12609 SYS 4203 WAT H2 B 0.417000 1.0079 + 12610 SYS 4204 WAT O1 D -0.834000 15.9994 + 12611 SYS 4204 WAT H1 B 0.417000 1.0079 + 12612 SYS 4204 WAT H2 B 0.417000 1.0079 + 12613 SYS 4205 WAT O1 D -0.834000 15.9994 + 12614 SYS 4205 WAT H1 B 0.417000 1.0079 + 12615 SYS 4205 WAT H2 B 0.417000 1.0079 + 12616 SYS 4206 WAT O1 D -0.834000 15.9994 + 12617 SYS 4206 WAT H1 B 0.417000 1.0079 + 12618 SYS 4206 WAT H2 B 0.417000 1.0079 + 12619 SYS 4207 WAT O1 D -0.834000 15.9994 + 12620 SYS 4207 WAT H1 B 0.417000 1.0079 + 12621 SYS 4207 WAT H2 B 0.417000 1.0079 + 12622 SYS 4208 WAT O1 D -0.834000 15.9994 + 12623 SYS 4208 WAT H1 B 0.417000 1.0079 + 12624 SYS 4208 WAT H2 B 0.417000 1.0079 + 12625 SYS 4209 WAT O1 D -0.834000 15.9994 + 12626 SYS 4209 WAT H1 B 0.417000 1.0079 + 12627 SYS 4209 WAT H2 B 0.417000 1.0079 + 12628 SYS 4210 WAT O1 D -0.834000 15.9994 + 12629 SYS 4210 WAT H1 B 0.417000 1.0079 + 12630 SYS 4210 WAT H2 B 0.417000 1.0079 + 12631 SYS 4211 WAT O1 D -0.834000 15.9994 + 12632 SYS 4211 WAT H1 B 0.417000 1.0079 + 12633 SYS 4211 WAT H2 B 0.417000 1.0079 + 12634 SYS 4212 WAT O1 D -0.834000 15.9994 + 12635 SYS 4212 WAT H1 B 0.417000 1.0079 + 12636 SYS 4212 WAT H2 B 0.417000 1.0079 + 12637 SYS 4213 WAT O1 D -0.834000 15.9994 + 12638 SYS 4213 WAT H1 B 0.417000 1.0079 + 12639 SYS 4213 WAT H2 B 0.417000 1.0079 + 12640 SYS 4214 WAT O1 D -0.834000 15.9994 + 12641 SYS 4214 WAT H1 B 0.417000 1.0079 + 12642 SYS 4214 WAT H2 B 0.417000 1.0079 + 12643 SYS 4215 WAT O1 D -0.834000 15.9994 + 12644 SYS 4215 WAT H1 B 0.417000 1.0079 + 12645 SYS 4215 WAT H2 B 0.417000 1.0079 + 12646 SYS 4216 WAT O1 D -0.834000 15.9994 + 12647 SYS 4216 WAT H1 B 0.417000 1.0079 + 12648 SYS 4216 WAT H2 B 0.417000 1.0079 + 12649 SYS 4217 WAT O1 D -0.834000 15.9994 + 12650 SYS 4217 WAT H1 B 0.417000 1.0079 + 12651 SYS 4217 WAT H2 B 0.417000 1.0079 + 12652 SYS 4218 WAT O1 D -0.834000 15.9994 + 12653 SYS 4218 WAT H1 B 0.417000 1.0079 + 12654 SYS 4218 WAT H2 B 0.417000 1.0079 + 12655 SYS 4219 WAT O1 D -0.834000 15.9994 + 12656 SYS 4219 WAT H1 B 0.417000 1.0079 + 12657 SYS 4219 WAT H2 B 0.417000 1.0079 + 12658 SYS 4220 WAT O1 D -0.834000 15.9994 + 12659 SYS 4220 WAT H1 B 0.417000 1.0079 + 12660 SYS 4220 WAT H2 B 0.417000 1.0079 + 12661 SYS 4221 WAT O1 D -0.834000 15.9994 + 12662 SYS 4221 WAT H1 B 0.417000 1.0079 + 12663 SYS 4221 WAT H2 B 0.417000 1.0079 + 12664 SYS 4222 WAT O1 D -0.834000 15.9994 + 12665 SYS 4222 WAT H1 B 0.417000 1.0079 + 12666 SYS 4222 WAT H2 B 0.417000 1.0079 + 12667 SYS 4223 WAT O1 D -0.834000 15.9994 + 12668 SYS 4223 WAT H1 B 0.417000 1.0079 + 12669 SYS 4223 WAT H2 B 0.417000 1.0079 + 12670 SYS 4224 WAT O1 D -0.834000 15.9994 + 12671 SYS 4224 WAT H1 B 0.417000 1.0079 + 12672 SYS 4224 WAT H2 B 0.417000 1.0079 + 12673 SYS 4225 WAT O1 D -0.834000 15.9994 + 12674 SYS 4225 WAT H1 B 0.417000 1.0079 + 12675 SYS 4225 WAT H2 B 0.417000 1.0079 + 12676 SYS 4226 WAT O1 D -0.834000 15.9994 + 12677 SYS 4226 WAT H1 B 0.417000 1.0079 + 12678 SYS 4226 WAT H2 B 0.417000 1.0079 + 12679 SYS 4227 WAT O1 D -0.834000 15.9994 + 12680 SYS 4227 WAT H1 B 0.417000 1.0079 + 12681 SYS 4227 WAT H2 B 0.417000 1.0079 + 12682 SYS 4228 WAT O1 D -0.834000 15.9994 + 12683 SYS 4228 WAT H1 B 0.417000 1.0079 + 12684 SYS 4228 WAT H2 B 0.417000 1.0079 + 12685 SYS 4229 WAT O1 D -0.834000 15.9994 + 12686 SYS 4229 WAT H1 B 0.417000 1.0079 + 12687 SYS 4229 WAT H2 B 0.417000 1.0079 + 12688 SYS 4230 WAT O1 D -0.834000 15.9994 + 12689 SYS 4230 WAT H1 B 0.417000 1.0079 + 12690 SYS 4230 WAT H2 B 0.417000 1.0079 + 12691 SYS 4231 WAT O1 D -0.834000 15.9994 + 12692 SYS 4231 WAT H1 B 0.417000 1.0079 + 12693 SYS 4231 WAT H2 B 0.417000 1.0079 + 12694 SYS 4232 WAT O1 D -0.834000 15.9994 + 12695 SYS 4232 WAT H1 B 0.417000 1.0079 + 12696 SYS 4232 WAT H2 B 0.417000 1.0079 + 12697 SYS 4233 WAT O1 D -0.834000 15.9994 + 12698 SYS 4233 WAT H1 B 0.417000 1.0079 + 12699 SYS 4233 WAT H2 B 0.417000 1.0079 + 12700 SYS 4234 WAT O1 D -0.834000 15.9994 + 12701 SYS 4234 WAT H1 B 0.417000 1.0079 + 12702 SYS 4234 WAT H2 B 0.417000 1.0079 + 12703 SYS 4235 WAT O1 D -0.834000 15.9994 + 12704 SYS 4235 WAT H1 B 0.417000 1.0079 + 12705 SYS 4235 WAT H2 B 0.417000 1.0079 + 12706 SYS 4236 WAT O1 D -0.834000 15.9994 + 12707 SYS 4236 WAT H1 B 0.417000 1.0079 + 12708 SYS 4236 WAT H2 B 0.417000 1.0079 + 12709 SYS 4237 WAT O1 D -0.834000 15.9994 + 12710 SYS 4237 WAT H1 B 0.417000 1.0079 + 12711 SYS 4237 WAT H2 B 0.417000 1.0079 + 12712 SYS 4238 WAT O1 D -0.834000 15.9994 + 12713 SYS 4238 WAT H1 B 0.417000 1.0079 + 12714 SYS 4238 WAT H2 B 0.417000 1.0079 + 12715 SYS 4239 WAT O1 D -0.834000 15.9994 + 12716 SYS 4239 WAT H1 B 0.417000 1.0079 + 12717 SYS 4239 WAT H2 B 0.417000 1.0079 + 12718 SYS 4240 WAT O1 D -0.834000 15.9994 + 12719 SYS 4240 WAT H1 B 0.417000 1.0079 + 12720 SYS 4240 WAT H2 B 0.417000 1.0079 + 12721 SYS 4241 WAT O1 D -0.834000 15.9994 + 12722 SYS 4241 WAT H1 B 0.417000 1.0079 + 12723 SYS 4241 WAT H2 B 0.417000 1.0079 + 12724 SYS 4242 WAT O1 D -0.834000 15.9994 + 12725 SYS 4242 WAT H1 B 0.417000 1.0079 + 12726 SYS 4242 WAT H2 B 0.417000 1.0079 + 12727 SYS 4243 WAT O1 D -0.834000 15.9994 + 12728 SYS 4243 WAT H1 B 0.417000 1.0079 + 12729 SYS 4243 WAT H2 B 0.417000 1.0079 + 12730 SYS 4244 WAT O1 D -0.834000 15.9994 + 12731 SYS 4244 WAT H1 B 0.417000 1.0079 + 12732 SYS 4244 WAT H2 B 0.417000 1.0079 + 12733 SYS 4245 WAT O1 D -0.834000 15.9994 + 12734 SYS 4245 WAT H1 B 0.417000 1.0079 + 12735 SYS 4245 WAT H2 B 0.417000 1.0079 + 12736 SYS 4246 WAT O1 D -0.834000 15.9994 + 12737 SYS 4246 WAT H1 B 0.417000 1.0079 + 12738 SYS 4246 WAT H2 B 0.417000 1.0079 + 12739 SYS 4247 WAT O1 D -0.834000 15.9994 + 12740 SYS 4247 WAT H1 B 0.417000 1.0079 + 12741 SYS 4247 WAT H2 B 0.417000 1.0079 + 12742 SYS 4248 WAT O1 D -0.834000 15.9994 + 12743 SYS 4248 WAT H1 B 0.417000 1.0079 + 12744 SYS 4248 WAT H2 B 0.417000 1.0079 + 12745 SYS 4249 WAT O1 D -0.834000 15.9994 + 12746 SYS 4249 WAT H1 B 0.417000 1.0079 + 12747 SYS 4249 WAT H2 B 0.417000 1.0079 + 12748 SYS 4250 WAT O1 D -0.834000 15.9994 + 12749 SYS 4250 WAT H1 B 0.417000 1.0079 + 12750 SYS 4250 WAT H2 B 0.417000 1.0079 + 12751 SYS 4251 WAT O1 D -0.834000 15.9994 + 12752 SYS 4251 WAT H1 B 0.417000 1.0079 + 12753 SYS 4251 WAT H2 B 0.417000 1.0079 + 12754 SYS 4252 WAT O1 D -0.834000 15.9994 + 12755 SYS 4252 WAT H1 B 0.417000 1.0079 + 12756 SYS 4252 WAT H2 B 0.417000 1.0079 + 12757 SYS 4253 WAT O1 D -0.834000 15.9994 + 12758 SYS 4253 WAT H1 B 0.417000 1.0079 + 12759 SYS 4253 WAT H2 B 0.417000 1.0079 + 12760 SYS 4254 WAT O1 D -0.834000 15.9994 + 12761 SYS 4254 WAT H1 B 0.417000 1.0079 + 12762 SYS 4254 WAT H2 B 0.417000 1.0079 + 12763 SYS 4255 WAT O1 D -0.834000 15.9994 + 12764 SYS 4255 WAT H1 B 0.417000 1.0079 + 12765 SYS 4255 WAT H2 B 0.417000 1.0079 + 12766 SYS 4256 WAT O1 D -0.834000 15.9994 + 12767 SYS 4256 WAT H1 B 0.417000 1.0079 + 12768 SYS 4256 WAT H2 B 0.417000 1.0079 + 12769 SYS 4257 WAT O1 D -0.834000 15.9994 + 12770 SYS 4257 WAT H1 B 0.417000 1.0079 + 12771 SYS 4257 WAT H2 B 0.417000 1.0079 + 12772 SYS 4258 WAT O1 D -0.834000 15.9994 + 12773 SYS 4258 WAT H1 B 0.417000 1.0079 + 12774 SYS 4258 WAT H2 B 0.417000 1.0079 + 12775 SYS 4259 WAT O1 D -0.834000 15.9994 + 12776 SYS 4259 WAT H1 B 0.417000 1.0079 + 12777 SYS 4259 WAT H2 B 0.417000 1.0079 + 12778 SYS 4260 WAT O1 D -0.834000 15.9994 + 12779 SYS 4260 WAT H1 B 0.417000 1.0079 + 12780 SYS 4260 WAT H2 B 0.417000 1.0079 + 12781 SYS 4261 WAT O1 D -0.834000 15.9994 + 12782 SYS 4261 WAT H1 B 0.417000 1.0079 + 12783 SYS 4261 WAT H2 B 0.417000 1.0079 + 12784 SYS 4262 WAT O1 D -0.834000 15.9994 + 12785 SYS 4262 WAT H1 B 0.417000 1.0079 + 12786 SYS 4262 WAT H2 B 0.417000 1.0079 + 12787 SYS 4263 WAT O1 D -0.834000 15.9994 + 12788 SYS 4263 WAT H1 B 0.417000 1.0079 + 12789 SYS 4263 WAT H2 B 0.417000 1.0079 + 12790 SYS 4264 WAT O1 D -0.834000 15.9994 + 12791 SYS 4264 WAT H1 B 0.417000 1.0079 + 12792 SYS 4264 WAT H2 B 0.417000 1.0079 + 12793 SYS 4265 WAT O1 D -0.834000 15.9994 + 12794 SYS 4265 WAT H1 B 0.417000 1.0079 + 12795 SYS 4265 WAT H2 B 0.417000 1.0079 + 12796 SYS 4266 WAT O1 D -0.834000 15.9994 + 12797 SYS 4266 WAT H1 B 0.417000 1.0079 + 12798 SYS 4266 WAT H2 B 0.417000 1.0079 + 12799 SYS 4267 WAT O1 D -0.834000 15.9994 + 12800 SYS 4267 WAT H1 B 0.417000 1.0079 + 12801 SYS 4267 WAT H2 B 0.417000 1.0079 + 12802 SYS 4268 WAT O1 D -0.834000 15.9994 + 12803 SYS 4268 WAT H1 B 0.417000 1.0079 + 12804 SYS 4268 WAT H2 B 0.417000 1.0079 + 12805 SYS 4269 WAT O1 D -0.834000 15.9994 + 12806 SYS 4269 WAT H1 B 0.417000 1.0079 + 12807 SYS 4269 WAT H2 B 0.417000 1.0079 + 12808 SYS 4270 WAT O1 D -0.834000 15.9994 + 12809 SYS 4270 WAT H1 B 0.417000 1.0079 + 12810 SYS 4270 WAT H2 B 0.417000 1.0079 + 12811 SYS 4271 WAT O1 D -0.834000 15.9994 + 12812 SYS 4271 WAT H1 B 0.417000 1.0079 + 12813 SYS 4271 WAT H2 B 0.417000 1.0079 + 12814 SYS 4272 WAT O1 D -0.834000 15.9994 + 12815 SYS 4272 WAT H1 B 0.417000 1.0079 + 12816 SYS 4272 WAT H2 B 0.417000 1.0079 + 12817 SYS 4273 WAT O1 D -0.834000 15.9994 + 12818 SYS 4273 WAT H1 B 0.417000 1.0079 + 12819 SYS 4273 WAT H2 B 0.417000 1.0079 + 12820 SYS 4274 WAT O1 D -0.834000 15.9994 + 12821 SYS 4274 WAT H1 B 0.417000 1.0079 + 12822 SYS 4274 WAT H2 B 0.417000 1.0079 + 12823 SYS 4275 WAT O1 D -0.834000 15.9994 + 12824 SYS 4275 WAT H1 B 0.417000 1.0079 + 12825 SYS 4275 WAT H2 B 0.417000 1.0079 + 12826 SYS 4276 WAT O1 D -0.834000 15.9994 + 12827 SYS 4276 WAT H1 B 0.417000 1.0079 + 12828 SYS 4276 WAT H2 B 0.417000 1.0079 + 12829 SYS 4277 WAT O1 D -0.834000 15.9994 + 12830 SYS 4277 WAT H1 B 0.417000 1.0079 + 12831 SYS 4277 WAT H2 B 0.417000 1.0079 + 12832 SYS 4278 WAT O1 D -0.834000 15.9994 + 12833 SYS 4278 WAT H1 B 0.417000 1.0079 + 12834 SYS 4278 WAT H2 B 0.417000 1.0079 + 12835 SYS 4279 WAT O1 D -0.834000 15.9994 + 12836 SYS 4279 WAT H1 B 0.417000 1.0079 + 12837 SYS 4279 WAT H2 B 0.417000 1.0079 + 12838 SYS 4280 WAT O1 D -0.834000 15.9994 + 12839 SYS 4280 WAT H1 B 0.417000 1.0079 + 12840 SYS 4280 WAT H2 B 0.417000 1.0079 + 12841 SYS 4281 WAT O1 D -0.834000 15.9994 + 12842 SYS 4281 WAT H1 B 0.417000 1.0079 + 12843 SYS 4281 WAT H2 B 0.417000 1.0079 + 12844 SYS 4282 WAT O1 D -0.834000 15.9994 + 12845 SYS 4282 WAT H1 B 0.417000 1.0079 + 12846 SYS 4282 WAT H2 B 0.417000 1.0079 + 12847 SYS 4283 WAT O1 D -0.834000 15.9994 + 12848 SYS 4283 WAT H1 B 0.417000 1.0079 + 12849 SYS 4283 WAT H2 B 0.417000 1.0079 + 12850 SYS 4284 WAT O1 D -0.834000 15.9994 + 12851 SYS 4284 WAT H1 B 0.417000 1.0079 + 12852 SYS 4284 WAT H2 B 0.417000 1.0079 + 12853 SYS 4285 WAT O1 D -0.834000 15.9994 + 12854 SYS 4285 WAT H1 B 0.417000 1.0079 + 12855 SYS 4285 WAT H2 B 0.417000 1.0079 + 12856 SYS 4286 WAT O1 D -0.834000 15.9994 + 12857 SYS 4286 WAT H1 B 0.417000 1.0079 + 12858 SYS 4286 WAT H2 B 0.417000 1.0079 + 12859 SYS 4287 WAT O1 D -0.834000 15.9994 + 12860 SYS 4287 WAT H1 B 0.417000 1.0079 + 12861 SYS 4287 WAT H2 B 0.417000 1.0079 + 12862 SYS 4288 WAT O1 D -0.834000 15.9994 + 12863 SYS 4288 WAT H1 B 0.417000 1.0079 + 12864 SYS 4288 WAT H2 B 0.417000 1.0079 + 12865 SYS 4289 WAT O1 D -0.834000 15.9994 + 12866 SYS 4289 WAT H1 B 0.417000 1.0079 + 12867 SYS 4289 WAT H2 B 0.417000 1.0079 + 12868 SYS 4290 WAT O1 D -0.834000 15.9994 + 12869 SYS 4290 WAT H1 B 0.417000 1.0079 + 12870 SYS 4290 WAT H2 B 0.417000 1.0079 + 12871 SYS 4291 WAT O1 D -0.834000 15.9994 + 12872 SYS 4291 WAT H1 B 0.417000 1.0079 + 12873 SYS 4291 WAT H2 B 0.417000 1.0079 + 12874 SYS 4292 WAT O1 D -0.834000 15.9994 + 12875 SYS 4292 WAT H1 B 0.417000 1.0079 + 12876 SYS 4292 WAT H2 B 0.417000 1.0079 + 12877 SYS 4293 WAT O1 D -0.834000 15.9994 + 12878 SYS 4293 WAT H1 B 0.417000 1.0079 + 12879 SYS 4293 WAT H2 B 0.417000 1.0079 + 12880 SYS 4294 WAT O1 D -0.834000 15.9994 + 12881 SYS 4294 WAT H1 B 0.417000 1.0079 + 12882 SYS 4294 WAT H2 B 0.417000 1.0079 + 12883 SYS 4295 WAT O1 D -0.834000 15.9994 + 12884 SYS 4295 WAT H1 B 0.417000 1.0079 + 12885 SYS 4295 WAT H2 B 0.417000 1.0079 + 12886 SYS 4296 WAT O1 D -0.834000 15.9994 + 12887 SYS 4296 WAT H1 B 0.417000 1.0079 + 12888 SYS 4296 WAT H2 B 0.417000 1.0079 + 12889 SYS 4297 WAT O1 D -0.834000 15.9994 + 12890 SYS 4297 WAT H1 B 0.417000 1.0079 + 12891 SYS 4297 WAT H2 B 0.417000 1.0079 + 12892 SYS 4298 WAT O1 D -0.834000 15.9994 + 12893 SYS 4298 WAT H1 B 0.417000 1.0079 + 12894 SYS 4298 WAT H2 B 0.417000 1.0079 + 12895 SYS 4299 WAT O1 D -0.834000 15.9994 + 12896 SYS 4299 WAT H1 B 0.417000 1.0079 + 12897 SYS 4299 WAT H2 B 0.417000 1.0079 + 12898 SYS 4300 WAT O1 D -0.834000 15.9994 + 12899 SYS 4300 WAT H1 B 0.417000 1.0079 + 12900 SYS 4300 WAT H2 B 0.417000 1.0079 + 12901 SYS 4301 WAT O1 D -0.834000 15.9994 + 12902 SYS 4301 WAT H1 B 0.417000 1.0079 + 12903 SYS 4301 WAT H2 B 0.417000 1.0079 + 12904 SYS 4302 WAT O1 D -0.834000 15.9994 + 12905 SYS 4302 WAT H1 B 0.417000 1.0079 + 12906 SYS 4302 WAT H2 B 0.417000 1.0079 + 12907 SYS 4303 WAT O1 D -0.834000 15.9994 + 12908 SYS 4303 WAT H1 B 0.417000 1.0079 + 12909 SYS 4303 WAT H2 B 0.417000 1.0079 + 12910 SYS 4304 WAT O1 D -0.834000 15.9994 + 12911 SYS 4304 WAT H1 B 0.417000 1.0079 + 12912 SYS 4304 WAT H2 B 0.417000 1.0079 + 12913 SYS 4305 WAT O1 D -0.834000 15.9994 + 12914 SYS 4305 WAT H1 B 0.417000 1.0079 + 12915 SYS 4305 WAT H2 B 0.417000 1.0079 + 12916 SYS 4306 WAT O1 D -0.834000 15.9994 + 12917 SYS 4306 WAT H1 B 0.417000 1.0079 + 12918 SYS 4306 WAT H2 B 0.417000 1.0079 + 12919 SYS 4307 WAT O1 D -0.834000 15.9994 + 12920 SYS 4307 WAT H1 B 0.417000 1.0079 + 12921 SYS 4307 WAT H2 B 0.417000 1.0079 + 12922 SYS 4308 WAT O1 D -0.834000 15.9994 + 12923 SYS 4308 WAT H1 B 0.417000 1.0079 + 12924 SYS 4308 WAT H2 B 0.417000 1.0079 + 12925 SYS 4309 WAT O1 D -0.834000 15.9994 + 12926 SYS 4309 WAT H1 B 0.417000 1.0079 + 12927 SYS 4309 WAT H2 B 0.417000 1.0079 + 12928 SYS 4310 WAT O1 D -0.834000 15.9994 + 12929 SYS 4310 WAT H1 B 0.417000 1.0079 + 12930 SYS 4310 WAT H2 B 0.417000 1.0079 + 12931 SYS 4311 WAT O1 D -0.834000 15.9994 + 12932 SYS 4311 WAT H1 B 0.417000 1.0079 + 12933 SYS 4311 WAT H2 B 0.417000 1.0079 + 12934 SYS 4312 WAT O1 D -0.834000 15.9994 + 12935 SYS 4312 WAT H1 B 0.417000 1.0079 + 12936 SYS 4312 WAT H2 B 0.417000 1.0079 + 12937 SYS 4313 WAT O1 D -0.834000 15.9994 + 12938 SYS 4313 WAT H1 B 0.417000 1.0079 + 12939 SYS 4313 WAT H2 B 0.417000 1.0079 + 12940 SYS 4314 WAT O1 D -0.834000 15.9994 + 12941 SYS 4314 WAT H1 B 0.417000 1.0079 + 12942 SYS 4314 WAT H2 B 0.417000 1.0079 + 12943 SYS 4315 WAT O1 D -0.834000 15.9994 + 12944 SYS 4315 WAT H1 B 0.417000 1.0079 + 12945 SYS 4315 WAT H2 B 0.417000 1.0079 + 12946 SYS 4316 WAT O1 D -0.834000 15.9994 + 12947 SYS 4316 WAT H1 B 0.417000 1.0079 + 12948 SYS 4316 WAT H2 B 0.417000 1.0079 + 12949 SYS 4317 WAT O1 D -0.834000 15.9994 + 12950 SYS 4317 WAT H1 B 0.417000 1.0079 + 12951 SYS 4317 WAT H2 B 0.417000 1.0079 + 12952 SYS 4318 WAT O1 D -0.834000 15.9994 + 12953 SYS 4318 WAT H1 B 0.417000 1.0079 + 12954 SYS 4318 WAT H2 B 0.417000 1.0079 + 12955 SYS 4319 WAT O1 D -0.834000 15.9994 + 12956 SYS 4319 WAT H1 B 0.417000 1.0079 + 12957 SYS 4319 WAT H2 B 0.417000 1.0079 + 12958 SYS 4320 WAT O1 D -0.834000 15.9994 + 12959 SYS 4320 WAT H1 B 0.417000 1.0079 + 12960 SYS 4320 WAT H2 B 0.417000 1.0079 + 12961 SYS 4321 WAT O1 D -0.834000 15.9994 + 12962 SYS 4321 WAT H1 B 0.417000 1.0079 + 12963 SYS 4321 WAT H2 B 0.417000 1.0079 + 12964 SYS 4322 WAT O1 D -0.834000 15.9994 + 12965 SYS 4322 WAT H1 B 0.417000 1.0079 + 12966 SYS 4322 WAT H2 B 0.417000 1.0079 + 12967 SYS 4323 WAT O1 D -0.834000 15.9994 + 12968 SYS 4323 WAT H1 B 0.417000 1.0079 + 12969 SYS 4323 WAT H2 B 0.417000 1.0079 + 12970 SYS 4324 WAT O1 D -0.834000 15.9994 + 12971 SYS 4324 WAT H1 B 0.417000 1.0079 + 12972 SYS 4324 WAT H2 B 0.417000 1.0079 + 12973 SYS 4325 WAT O1 D -0.834000 15.9994 + 12974 SYS 4325 WAT H1 B 0.417000 1.0079 + 12975 SYS 4325 WAT H2 B 0.417000 1.0079 + 12976 SYS 4326 WAT O1 D -0.834000 15.9994 + 12977 SYS 4326 WAT H1 B 0.417000 1.0079 + 12978 SYS 4326 WAT H2 B 0.417000 1.0079 + 12979 SYS 4327 WAT O1 D -0.834000 15.9994 + 12980 SYS 4327 WAT H1 B 0.417000 1.0079 + 12981 SYS 4327 WAT H2 B 0.417000 1.0079 + 12982 SYS 4328 WAT O1 D -0.834000 15.9994 + 12983 SYS 4328 WAT H1 B 0.417000 1.0079 + 12984 SYS 4328 WAT H2 B 0.417000 1.0079 + 12985 SYS 4329 WAT O1 D -0.834000 15.9994 + 12986 SYS 4329 WAT H1 B 0.417000 1.0079 + 12987 SYS 4329 WAT H2 B 0.417000 1.0079 + 12988 SYS 4330 WAT O1 D -0.834000 15.9994 + 12989 SYS 4330 WAT H1 B 0.417000 1.0079 + 12990 SYS 4330 WAT H2 B 0.417000 1.0079 + 12991 SYS 4331 WAT O1 D -0.834000 15.9994 + 12992 SYS 4331 WAT H1 B 0.417000 1.0079 + 12993 SYS 4331 WAT H2 B 0.417000 1.0079 8662 !NBOND: bonds 1 3 1 2 4 6 4 5 @@ -18255,6 +18255,5 @@ PSF 0 0 0 0 0 0 0 0 0 - 1 0 !NGRP + 1 0 !NGRP 0 1 0 - diff --git a/run_NAMD_GOMC.py b/run_NAMD_GOMC.py index 818320f..1bff133 100644 --- a/run_NAMD_GOMC.py +++ b/run_NAMD_GOMC.py @@ -1,14 +1,14 @@ import argparse -import sys -import os import datetime -import subprocess -import pandas as pd -import numpy as np import json - +import os +import subprocess +import sys from warnings import warn +import numpy as np +import pandas as pd + # MD/MC simulations (NAMD/GOMC) for the NPT, NVT, GEMC, and GCMC ensembles # ************************************************* # Import the user variables from the json file (start) @@ -22,48 +22,80 @@ def _get_args(): arg_parser = argparse.ArgumentParser() # get the filename with the user required input - arg_parser.add_argument("-f", "--file", - help="Defines the variable inputs file used for the hybrid NAMD/GOMC simulation script. " - "This file (i.e., the user_input_variables_NAMD_GOMC.json file) is required " - "to run the hybrid simulation.", - type=str) - - arg_parser.add_argument("-namd_sims_order", "--namd_simulation_order", - help="This sets the NAMD simulation to be run in series or parallel. " - "The data is entered only as series or parallel (default = series). " - "This is only relevant for the GEMC ensemble when utilizing two (2) NAMD simulation " - "boxes " - "(i.e., only_use_box_0_for_namd_for_gemc = False --> both box 0 and box 1)." - "The GCMC, NVT, NPT, or the GEMC ensembles when using only one (1) " - "NAMD simulation box " - "(i.e., only_use_box_0_for_namd_for_gemc = True --> only box 0) " - "are always run in series, since there is nothing to run in parallel." - "Note: this feature was added so the user can minimize the load on the GPU " - "by running both NAMD simulations in parallel.", - type=str) + arg_parser.add_argument( + "-f", + "--file", + help="Defines the variable inputs file used for the hybrid NAMD/GOMC simulation script. " + "This file (i.e., the user_input_variables_NAMD_GOMC.json file) is required " + "to run the hybrid simulation.", + type=str, + ) + + arg_parser.add_argument( + "-namd_sims_order", + "--namd_simulation_order", + help="This sets the NAMD simulation to be run in series or parallel. " + "The data is entered only as series or parallel (default = series). " + "This is only relevant for the GEMC ensemble when utilizing two (2) NAMD simulation " + "boxes " + "(i.e., only_use_box_0_for_namd_for_gemc = False --> both box 0 and box 1)." + "The GCMC, NVT, NPT, or the GEMC ensembles when using only one (1) " + "NAMD simulation box " + "(i.e., only_use_box_0_for_namd_for_gemc = True --> only box 0) " + "are always run in series, since there is nothing to run in parallel." + "Note: this feature was added so the user can minimize the load on the GPU " + "by running both NAMD simulations in parallel.", + type=str, + ) parser_arguments = arg_parser.parse_args() # check to see if the file exists - if parser_arguments.file : - if os.path.exists(parser_arguments.file) : - print("INFO: Reading data from <{}> file.".format(parser_arguments.file)) - else : - print("ERROR: Console file <{}> does not exist!".format(parser_arguments.file)) + if parser_arguments.file: + if os.path.exists(parser_arguments.file): + print( + "INFO: Reading data from <{}> file.".format( + parser_arguments.file + ) + ) + else: + print( + "ERROR: Console file <{}> does not exist!".format( + parser_arguments.file + ) + ) sys.exit(1) # set NAMD simulation order - if parser_arguments.namd_simulation_order == 'parallel' or parser_arguments.namd_simulation_order == 'series': - print("INFO: The NAMD simulations shall be run in <{}>.".format(parser_arguments.namd_simulation_order)) + if ( + parser_arguments.namd_simulation_order == "parallel" + or parser_arguments.namd_simulation_order == "series" + ): + print( + "INFO: The NAMD simulations shall be run in <{}>.".format( + parser_arguments.namd_simulation_order + ) + ) + + elif ( + parser_arguments.namd_simulation_order != "parallel" + and parser_arguments.namd_simulation_order != "series" + ): + parser_arguments.namd_simulation_order = "series" + print( + "WARNING: The NAMD simulations are not set to 'parallel' or 'series'. Therefore, " + "the NAMD simulations are being default set to <{}>.".format( + parser_arguments.namd_simulation_order + ) + ) + + print("arg_parser.file = " + str(parser_arguments.file)) + print( + "parser_arguments.namd_simulation_order = " + + str(parser_arguments.namd_simulation_order) + ) + return [parser_arguments.file, parser_arguments.namd_simulation_order] - elif parser_arguments.namd_simulation_order != 'parallel' and parser_arguments.namd_simulation_order != 'series': - parser_arguments.namd_simulation_order = 'series' - print("WARNING: The NAMD simulations are not set to 'parallel' or 'series'. Therefore, " - "the NAMD simulations are being default set to <{}>.".format(parser_arguments.namd_simulation_order)) - - print('arg_parser.file = ' + str(parser_arguments.file)) - print('parser_arguments.namd_simulation_order = ' + str(parser_arguments.namd_simulation_order)) - return [parser_arguments.file, parser_arguments.namd_simulation_order] # ************************************************* # The python arguments that need to be selected to run the simulations (end) @@ -74,15 +106,17 @@ def _get_args(): # ************************************************* # import and read the users json file [json_filename, namd_sim_order] = _get_args() -print('json_filename = ' +str(json_filename)) -print('namd_sim_order = ' +str(namd_sim_order)) +print("json_filename = " + str(json_filename)) +print("namd_sim_order = " + str(namd_sim_order)) # just for testing , need to remove later manual_testing_filename_input_override = False if json_filename is None and manual_testing_filename_input_override is True: json_filename = "user_input_NAMD_GOMC.json" -json_file_data = json.load(open(json_filename)) # standard name is "user_input_NAMD_GOMC.json" +json_file_data = json.load( + open(json_filename) +) # standard name is "user_input_NAMD_GOMC.json" json_file_data_keys_list = json_file_data.keys() # get the total_cycles_namd_gomc_sims variable from the json file @@ -90,22 +124,34 @@ def _get_args(): raise TypeError("The total_cycles_namd_gomc_sims key is not provided.\n") total_cycles_namd_gomc_sims = json_file_data["total_cycles_namd_gomc_sims"] if not isinstance(total_cycles_namd_gomc_sims, int): - raise TypeError("The total_cycles_namd_gomc_sims values must be an integer.\n") + raise TypeError( + "The total_cycles_namd_gomc_sims values must be an integer.\n" + ) else: if total_cycles_namd_gomc_sims < 0: - raise TypeError("The total_cycles_namd_gomc_sims values must be an integer " - "greater than or equal to zero (>=0.\n") + raise TypeError( + "The total_cycles_namd_gomc_sims values must be an integer " + "greater than or equal to zero (>=0.\n" + ) # get the starting_at_cycle_namd_gomc_sims variable from the json file if "starting_at_cycle_namd_gomc_sims" not in json_file_data_keys_list: - raise TypeError("The starting_at_cycle_namd_gomc_sims key is not provided.\n") -starting_at_cycle_namd_gomc_sims = json_file_data["starting_at_cycle_namd_gomc_sims"] + raise TypeError( + "The starting_at_cycle_namd_gomc_sims key is not provided.\n" + ) +starting_at_cycle_namd_gomc_sims = json_file_data[ + "starting_at_cycle_namd_gomc_sims" +] if not isinstance(starting_at_cycle_namd_gomc_sims, int): - raise TypeError("The starting_at_cycle_namd_gomc_sims values must be an integer.\n") + raise TypeError( + "The starting_at_cycle_namd_gomc_sims values must be an integer.\n" + ) else: if starting_at_cycle_namd_gomc_sims < 0: - raise TypeError("The starting_at_cycle_namd_gomc_sims values must be an integer " - "greater than or equal to zero (>=0.\n") + raise TypeError( + "The starting_at_cycle_namd_gomc_sims values must be an integer " + "greater than or equal to zero (>=0.\n" + ) # get the use_CPU_or_GPU variable from the json file if "gomc_use_CPU_or_GPU" not in json_file_data_keys_list: @@ -113,7 +159,7 @@ def _get_args(): gomc_use_CPU_or_GPU = json_file_data["gomc_use_CPU_or_GPU"] if not isinstance(gomc_use_CPU_or_GPU, str): raise TypeError("The gomc_use_CPU_or_GPU is not a string.\n") -if gomc_use_CPU_or_GPU != 'CPU' and gomc_use_CPU_or_GPU != 'GPU': +if gomc_use_CPU_or_GPU != "CPU" and gomc_use_CPU_or_GPU != "GPU": raise ValueError("The gomc_use_CPU_or_GPU is the string 'CPU' or 'GPU'.\n") # get the simulation_type variable from the json file @@ -122,15 +168,26 @@ def _get_args(): simulation_type = json_file_data["simulation_type"] if not isinstance(simulation_type, str): raise TypeError("The simulation_type is not a string.\n") -if simulation_type not in ['GEMC', 'GCMC', 'NPT', 'NVT']: - raise ValueError("The simulation_type is the string 'GEMC', 'GCMC', 'NPT', or 'NVT'.\n") +if simulation_type not in ["GEMC", "GCMC", "NPT", "NVT"]: + raise ValueError( + "The simulation_type is the string 'GEMC', 'GCMC', 'NPT', or 'NVT'.\n" + ) # get the only_use_box_0_for_namd_for_gemc variable from the json file if "only_use_box_0_for_namd_for_gemc" not in json_file_data_keys_list: - raise TypeError("The only_use_box_0_for_namd_for_gemc key is not provided.\n") -only_use_box_0_for_namd_for_gemc = json_file_data["only_use_box_0_for_namd_for_gemc"] -if only_use_box_0_for_namd_for_gemc is not True and only_use_box_0_for_namd_for_gemc is not False: - raise TypeError("The only_use_box_0_for_namd_for_gemc not true or false in the json file.\n") + raise TypeError( + "The only_use_box_0_for_namd_for_gemc key is not provided.\n" + ) +only_use_box_0_for_namd_for_gemc = json_file_data[ + "only_use_box_0_for_namd_for_gemc" +] +if ( + only_use_box_0_for_namd_for_gemc is not True + and only_use_box_0_for_namd_for_gemc is not False +): + raise TypeError( + "The only_use_box_0_for_namd_for_gemc not true or false in the json file.\n" + ) # get the no_core_box_0 variable from the json file if "no_core_box_0" not in json_file_data_keys_list: @@ -141,8 +198,10 @@ def _get_args(): else: if only_use_box_0_for_namd_for_gemc is False and simulation_type == "GEMC": if no_core_box_0 < 0: - raise ValueError('The no_core_box_{} values must be an interger greater ' - 'than or equal to zero (>=0)'.format(0)) + raise ValueError( + "The no_core_box_{} values must be an interger greater " + "than or equal to zero (>=0)".format(0) + ) # get the no_core_box_1 variable from the json file if "no_core_box_1" not in json_file_data_keys_list: @@ -153,70 +212,113 @@ def _get_args(): else: if only_use_box_0_for_namd_for_gemc is False and simulation_type == "GEMC": if no_core_box_1 <= 0: - raise ValueError('The no_core_box_{} values must be an interger greater than zero (>0) ' - 'when using only_use_box_0_for_namd_for_gemc is False and ' - 'simulation_type == "GEMC" .\n'.format(1)) + raise ValueError( + "The no_core_box_{} values must be an interger greater than zero (>0) " + "when using only_use_box_0_for_namd_for_gemc is False and " + 'simulation_type == "GEMC" .\n'.format(1) + ) if no_core_box_1 < 0: - raise ValueError('The no_core_box_{} values must be an interger greater ' - 'than or equal to zero (>=0)'.format(1)) + raise ValueError( + "The no_core_box_{} values must be an interger greater " + "than or equal to zero (>=0)".format(1) + ) # get the simulation_temp_k variable from the json file if "simulation_temp_k" not in json_file_data_keys_list: raise TypeError("The simulation_temp_k key is not provided.\n") simulation_temp_k = json_file_data["simulation_temp_k"] -if not isinstance(simulation_temp_k, int) and not isinstance(simulation_temp_k, float): - raise TypeError("The simulation_temp_k values must be an interger or float.\n") +if not isinstance(simulation_temp_k, int) and not isinstance( + simulation_temp_k, float +): + raise TypeError( + "The simulation_temp_k values must be an interger or float.\n" + ) else: if simulation_temp_k <= 0: - raise ValueError('The simulation_temp_k value must be an interger or float greater than zero (>0)') + raise ValueError( + "The simulation_temp_k value must be an interger or float greater than zero (>0)" + ) # get the simulation_pressure_bar variable from the json file if "simulation_pressure_bar" not in json_file_data_keys_list: raise TypeError("The simulation_pressure_bar key is not provided.\n") simulation_pressure_bar = json_file_data["simulation_pressure_bar"] -if simulation_type in ['NPT']: - if not isinstance(simulation_pressure_bar, int) and not isinstance(simulation_pressure_bar, float): - raise TypeError("The simulation_pressure_bar values must be an interger or float.\n") +if simulation_type in ["NPT"]: + if not isinstance(simulation_pressure_bar, int) and not isinstance( + simulation_pressure_bar, float + ): + raise TypeError( + "The simulation_pressure_bar values must be an interger or float.\n" + ) else: if simulation_pressure_bar < 0: - raise ValueError('The simulation_pressure_bar value must be an interger or float greater ' - 'than or equal to zero (>=0)') -elif simulation_type in ['GEMC', 'GCMC', 'NVT']: - if not isinstance(simulation_pressure_bar, int) and not isinstance(simulation_pressure_bar, float) \ - and simulation_pressure_bar is not None: - raise TypeError("The simulation_pressure_bar values must be an interger or float (>=0) or null/None.\n") - -if simulation_type in ['GCMC']: + raise ValueError( + "The simulation_pressure_bar value must be an interger or float greater " + "than or equal to zero (>=0)" + ) +elif simulation_type in ["GEMC", "GCMC", "NVT"]: + if ( + not isinstance(simulation_pressure_bar, int) + and not isinstance(simulation_pressure_bar, float) + and simulation_pressure_bar is not None + ): + raise TypeError( + "The simulation_pressure_bar values must be an interger or float (>=0) or null/None.\n" + ) + +if simulation_type in ["GCMC"]: # get the GCMC_ChemPot_or_Fugacity variable from the json file if "GCMC_ChemPot_or_Fugacity" not in json_file_data_keys_list: raise TypeError("The GCMC_ChemPot_or_Fugacity key is not provided.\n") GCMC_ChemPot_or_Fugacity = json_file_data["GCMC_ChemPot_or_Fugacity"] - if not isinstance(GCMC_ChemPot_or_Fugacity, str) or \ - (GCMC_ChemPot_or_Fugacity != "ChemPot" and GCMC_ChemPot_or_Fugacity != "Fugacity"): - raise TypeError('The GCMC_ChemPot_or_Fugacity values must be the string "ChemPot" or "Fugacity".\n') + if not isinstance(GCMC_ChemPot_or_Fugacity, str) or ( + GCMC_ChemPot_or_Fugacity != "ChemPot" + and GCMC_ChemPot_or_Fugacity != "Fugacity" + ): + raise TypeError( + 'The GCMC_ChemPot_or_Fugacity values must be the string "ChemPot" or "Fugacity".\n' + ) # get the GCMC_ChemPot_or_Fugacity_dict variable from the json file if "GCMC_ChemPot_or_Fugacity_dict" not in json_file_data_keys_list: - raise TypeError("The GCMC_ChemPot_or_Fugacity_dict key is not provided.\n") - GCMC_ChemPot_or_Fugacity_dict = json_file_data["GCMC_ChemPot_or_Fugacity_dict"] + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict key is not provided.\n" + ) + GCMC_ChemPot_or_Fugacity_dict = json_file_data[ + "GCMC_ChemPot_or_Fugacity_dict" + ] if not isinstance(GCMC_ChemPot_or_Fugacity_dict, dict): - raise TypeError('The GCMC_ChemPot_or_Fugacity_dict values must a dictionary.\n') + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict values must a dictionary.\n" + ) GCMC_ChemPot_or_Fugacity_dict_to_list = GCMC_ChemPot_or_Fugacity_dict.keys() if GCMC_ChemPot_or_Fugacity == "ChemPot": for chempot_i in GCMC_ChemPot_or_Fugacity_dict_to_list: - if not isinstance(GCMC_ChemPot_or_Fugacity_dict[chempot_i], int) \ - and not isinstance(GCMC_ChemPot_or_Fugacity_dict[chempot_i], float): - raise TypeError("The GCMC_ChemPot_or_Fugacity_dict values must be floats or integers.\n") + if not isinstance( + GCMC_ChemPot_or_Fugacity_dict[chempot_i], int + ) and not isinstance( + GCMC_ChemPot_or_Fugacity_dict[chempot_i], float + ): + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict values must be floats or integers.\n" + ) if GCMC_ChemPot_or_Fugacity == "Fugacity": for fugacity_i in GCMC_ChemPot_or_Fugacity_dict_to_list: - if not isinstance(GCMC_ChemPot_or_Fugacity_dict[fugacity_i], int) \ - and not isinstance(GCMC_ChemPot_or_Fugacity_dict[fugacity_i], float): - raise TypeError("The GCMC_ChemPot_or_Fugacity_dict values must be floats or integers.\n") + if not isinstance( + GCMC_ChemPot_or_Fugacity_dict[fugacity_i], int + ) and not isinstance( + GCMC_ChemPot_or_Fugacity_dict[fugacity_i], float + ): + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict values must be floats or integers.\n" + ) if GCMC_ChemPot_or_Fugacity_dict[fugacity_i] < 0: - raise ValueError('The GCMC_ChemPot_or_Fugacity_dict values when using ' - 'GCMC_ChemPot_or_Fugacity != "Fugacity", must be floats or integers ' - 'greater than of equal to zero (>=) .\n') + raise ValueError( + "The GCMC_ChemPot_or_Fugacity_dict values when using " + 'GCMC_ChemPot_or_Fugacity != "Fugacity", must be floats or integers ' + "greater than of equal to zero (>=) .\n" + ) else: GCMC_ChemPot_or_Fugacity = None GCMC_ChemPot_or_Fugacity_dict = None @@ -240,20 +342,27 @@ def _get_args(): raise TypeError("The namd_minimize_mult_scalar key is not provided.\n") namd_minimize_mult_scalar = json_file_data["namd_minimize_mult_scalar"] if not isinstance(namd_run_steps, int): - raise TypeError("The namd_minimize_mult_scalar values must be an interger.\n") + raise TypeError( + "The namd_minimize_mult_scalar values must be an interger.\n" + ) # get the set_x_dim_box_0 variable from the json file if "set_dims_box_0_list" not in json_file_data_keys_list: raise TypeError("The set_dims_box_0_list key is not provided.\n") set_dims_box_0_list = json_file_data["set_dims_box_0_list"] if set_dims_box_0_list is not None: - print_error_text = "The set_dims_box_0_list must be a null/None or list and contain three (3) integers or floats"\ - "greater than zero (>0).\n" + print_error_text = ( + "The set_dims_box_0_list must be a null/None or list and contain three (3) integers or floats" + "greater than zero (>0).\n" + ) if isinstance(set_dims_box_0_list, list): if len(set_dims_box_0_list) == 3: for dims_box_i in set_dims_box_0_list: - if isinstance(dims_box_i, int) is False and isinstance(dims_box_i, float) is False \ - and dims_box_i != None: + if ( + isinstance(dims_box_i, int) is False + and isinstance(dims_box_i, float) is False + and dims_box_i != None + ): raise TypeError(print_error_text) else: if dims_box_i != None: @@ -271,13 +380,18 @@ def _get_args(): raise TypeError("The set_dims_box_1_list key is not provided.\n") set_dims_box_1_list = json_file_data["set_dims_box_1_list"] if set_dims_box_1_list is not None: - print_error_text = "The set_dims_box_1_list must be a null/None or list and contain three (3) integers or floats"\ - "greater than zero (>0).\n" + print_error_text = ( + "The set_dims_box_1_list must be a null/None or list and contain three (3) integers or floats" + "greater than zero (>0).\n" + ) if isinstance(set_dims_box_1_list, list): if len(set_dims_box_1_list) == 3: for dims_box_i in set_dims_box_1_list: - if isinstance(dims_box_i, int) is False and isinstance(dims_box_i, float) is False \ - and dims_box_i != None: + if ( + isinstance(dims_box_i, int) is False + and isinstance(dims_box_i, float) is False + and dims_box_i != None + ): raise TypeError(print_error_text) else: if dims_box_i != None: @@ -295,13 +409,18 @@ def _get_args(): raise TypeError("The set_angle_box_0_list key is not provided.\n") set_angle_box_0_list = json_file_data["set_angle_box_0_list"] if set_angle_box_0_list is not None: - print_error_text = "The set_angle_box_0_list must be a null/None or 90 (in degrees). Currently," \ - "only orthogonal boxes are available.\n" + print_error_text = ( + "The set_angle_box_0_list must be a null/None or 90 (in degrees). Currently," + "only orthogonal boxes are available.\n" + ) if isinstance(set_angle_box_0_list, list): if len(set_angle_box_0_list) == 3: for angles_box_i in set_angle_box_0_list: - if isinstance(angles_box_i, int) is False and isinstance(angles_box_i, float) is False \ - and angles_box_i != None: + if ( + isinstance(angles_box_i, int) is False + and isinstance(angles_box_i, float) is False + and angles_box_i != None + ): raise TypeError(print_error_text) else: if angles_box_i != None: @@ -319,13 +438,18 @@ def _get_args(): raise TypeError("The set_angle_box_1_list key is not provided.\n") set_angle_box_1_list = json_file_data["set_angle_box_1_list"] if set_angle_box_1_list is not None: - print_error_text = "The set_angle_box_1_list must be a null/None or 90 (in degrees). Currently," \ - "only orthogonal boxes are available.\n" + print_error_text = ( + "The set_angle_box_1_list must be a null/None or 90 (in degrees). Currently," + "only orthogonal boxes are available.\n" + ) if isinstance(set_angle_box_1_list, list): if len(set_angle_box_1_list) == 3: for angles_box_i in set_angle_box_1_list: - if isinstance(angles_box_i, int) is False and isinstance(angles_box_i, float) is False \ - and angles_box_i != None: + if ( + isinstance(angles_box_i, int) is False + and isinstance(angles_box_i, float) is False + and angles_box_i != None + ): raise TypeError(print_error_text) else: if angles_box_i != None: @@ -343,22 +467,30 @@ def _get_args(): raise TypeError("The starting_ff_file_list_gomc key is not provided.\n") starting_ff_file_list_gomc = json_file_data["starting_ff_file_list_gomc"] if not isinstance(starting_ff_file_list_gomc, list): - raise TypeError("The starting_ff_file_list_gomc values must be a list of strings.\n") + raise TypeError( + "The starting_ff_file_list_gomc values must be a list of strings.\n" + ) else: for start_ff_gomc_i in starting_ff_file_list_gomc: if not isinstance(start_ff_gomc_i, str): - raise TypeError("The starting_ff_file_list_gomc list values must be strings.\n") + raise TypeError( + "The starting_ff_file_list_gomc list values must be strings.\n" + ) # get the starting_ff_file_list_namd variable from the json file if "starting_ff_file_list_namd" not in json_file_data_keys_list: raise TypeError("The starting_ff_file_list_namd key is not provided.\n") starting_ff_file_list_namd = json_file_data["starting_ff_file_list_namd"] if not isinstance(starting_ff_file_list_namd, list): - raise TypeError("The starting_ff_file_list_namd values must be a list of strings.\n") + raise TypeError( + "The starting_ff_file_list_namd values must be a list of strings.\n" + ) else: for start_ff_gomc_i in starting_ff_file_list_namd: if not isinstance(start_ff_gomc_i, str): - raise TypeError("The starting_ff_file_list_namd list values must be strings.\n") + raise TypeError( + "The starting_ff_file_list_namd list values must be strings.\n" + ) # get the starting_pdb_box_0_file variable from the json file if "starting_pdb_box_0_file" not in json_file_data_keys_list: @@ -374,7 +506,7 @@ def _get_args(): if not isinstance(starting_psf_box_0_file, str): raise TypeError("The starting_psf_box_0_file is not a string.\n") -if simulation_type in ['GCMC', 'GEMC']: +if simulation_type in ["GCMC", "GEMC"]: # get the starting_pdb_box_1_file variable from the json file if "starting_pdb_box_1_file" not in json_file_data_keys_list: raise TypeError("The starting_pdb_box_1_file key is not provided.\n") @@ -389,8 +521,8 @@ def _get_args(): if not isinstance(starting_psf_box_1_file, str): raise TypeError("The starting_psf_box_1_file is not a string.\n") else: - starting_pdb_box_1_file = '' - starting_psf_box_1_file = '' + starting_pdb_box_1_file = "" + starting_psf_box_1_file = "" # get the namd2_bin_directory variable from the json file # json file specifies relative path to the directory where the namd2 is located if "namd2_bin_directory" not in json_file_data_keys_list: @@ -399,7 +531,9 @@ def _get_args(): if isinstance(namd2_bin_directory, str) is False: raise TypeError("The namd2_bin_directory values must be an string.\n") else: - namd_bin_file = '{}/{}/{}'.format(str(os.getcwd()), namd2_bin_directory, "namd2") + namd_bin_file = "{}/{}/{}".format( + str(os.getcwd()), namd2_bin_directory, "namd2" + ) # get the gomc_bin_directory variable from the json file # json file specifies relative path to the directory where the GOMC_XXX_XXX binary files are located @@ -409,7 +543,12 @@ def _get_args(): if isinstance(gomc_bin_directory, str) is False: raise TypeError("The gomc_bin_directory values must be an string.\n") else: - gomc_bin_file = '{}/{}/GOMC_{}_{}'.format(str(os.getcwd()), gomc_bin_directory, gomc_use_CPU_or_GPU, simulation_type) + gomc_bin_file = "{}/{}/GOMC_{}_{}".format( + str(os.getcwd()), + gomc_bin_directory, + gomc_use_CPU_or_GPU, + simulation_type, + ) # ************************************************* # Import read and check the user input file for errors (end) @@ -419,17 +558,17 @@ def _get_args(): # ************************************************* # Potential changable variables in the future (start) # ************************************************* -allowable_error_fraction_vdw_plus_elec = 5 * 10**(-3) -allowable_error_fraction_potential = 5 * 10**(-3) +allowable_error_fraction_vdw_plus_elec = 5 * 10 ** (-3) +allowable_error_fraction_potential = 5 * 10 ** (-3) max_absolute_allowable_kcal_fraction_vdw_plus_elec = 0.5 gomc_console_blkavg_hist_steps = int(gomc_run_steps) gomc_rst_coor_ckpoint_steps = int(gomc_run_steps) -if gomc_run_steps/10 > 500: +if gomc_run_steps / 10 > 500: gomc_hist_sample_steps = int(500) -elif gomc_run_steps/10 <= 500: - gomc_hist_sample_steps = int(gomc_run_steps/10) +elif gomc_run_steps / 10 <= 500: + gomc_hist_sample_steps = int(gomc_run_steps / 10) namd_rst_dcd_xst_steps = int(namd_run_steps) namd_console_blkavg_e_and_p_steps = int(namd_run_steps) @@ -441,16 +580,18 @@ def _get_args(): # ************************************************* # check for existing and create NAMD and GOMC folders (start) # ************************************************* -if os.path.isdir('NAMD') or os.path.isdir('GOMC'): - warn('INFORMATION: if the system fails to start (with errors) from the beginning of a simulation, ' - 'you may need to delete the main GOMC and NAMD folders. ' - 'The failure to start/restart may be caused by the last simulation not finishing correctly.' - ) - warn('INFORMATION: If the system fails to restart a previous run (with errors), ' - 'you may need to delete the last subfolders under the main ' - 'NAMD and GOMC (i.e., folders NAMD = 00000000_a or GOMC = 00000001). ' - 'The failure to start/restart may be caused by the last simulation not finishing properly.' - ) +if os.path.isdir("NAMD") or os.path.isdir("GOMC"): + warn( + "INFORMATION: if the system fails to start (with errors) from the beginning of a simulation, " + "you may need to delete the main GOMC and NAMD folders. " + "The failure to start/restart may be caused by the last simulation not finishing correctly." + ) + warn( + "INFORMATION: If the system fails to restart a previous run (with errors), " + "you may need to delete the last subfolders under the main " + "NAMD and GOMC (i.e., folders NAMD = 00000000_a or GOMC = 00000001). " + "The failure to start/restart may be caused by the last simulation not finishing properly." + ) path_namd_runs = "NAMD" os.makedirs(path_namd_runs, exist_ok=True) @@ -464,9 +605,11 @@ def _get_args(): # ************************************************* # create NAMD and GOMC config file templates locations (start) # ************************************************* -path_namd_template = 'required_data/config_files/NAMD.conf' +path_namd_template = "required_data/config_files/NAMD.conf" -path_gomc_template = 'required_data/config_files/GOMC_'+str(simulation_type) + '.conf' +path_gomc_template = ( + "required_data/config_files/GOMC_" + str(simulation_type) + ".conf" +) # ************************************************* # create NAMD and GOMC config file templates locations (end) # ************************************************* @@ -485,67 +628,112 @@ def _get_args(): if isinstance(namd_ff_i, str) is False: raise TypeError(namd_ff_error_message) -if simulation_type in ['GCMC']: +if simulation_type in ["GCMC"]: if isinstance(GCMC_ChemPot_or_Fugacity_dict, dict) is False: - raise TypeError("ERROR: enter the chemical potential or fugacity data (GCMC_ChemPot_or_Fugacity_dict)" - "as a dictionary when using the GCMC ensemble.\n") + raise TypeError( + "ERROR: enter the chemical potential or fugacity data (GCMC_ChemPot_or_Fugacity_dict)" + "as a dictionary when using the GCMC ensemble.\n" + ) if GCMC_ChemPot_or_Fugacity is None: - raise ValueError("The GCMC_ChemPot_or_Fugacity can not be None when running the GCMC ensemble.\n") - if GCMC_ChemPot_or_Fugacity != 'ChemPot' and GCMC_ChemPot_or_Fugacity != 'Fugacity': - raise ValueError('The GCMC_ChemPot_or_Fugacity can either be the string ' - '"ChemPot" or "Fugacity" when running the GCMC ensemble.\n') + raise ValueError( + "The GCMC_ChemPot_or_Fugacity can not be None when running the GCMC ensemble.\n" + ) + if ( + GCMC_ChemPot_or_Fugacity != "ChemPot" + and GCMC_ChemPot_or_Fugacity != "Fugacity" + ): + raise ValueError( + "The GCMC_ChemPot_or_Fugacity can either be the string " + '"ChemPot" or "Fugacity" when running the GCMC ensemble.\n' + ) GCMC_ChemPot_or_Fugacity_dict_keys = GCMC_ChemPot_or_Fugacity_dict.keys() for keys_i in GCMC_ChemPot_or_Fugacity_dict_keys: - if isinstance(GCMC_ChemPot_or_Fugacity_dict[keys_i], int) is False \ - and isinstance(GCMC_ChemPot_or_Fugacity_dict[keys_i], float) is False: - raise TypeError("The GCMC_ChemPot_or_Fugacity_dict values must be an interger or float.\n") + if ( + isinstance(GCMC_ChemPot_or_Fugacity_dict[keys_i], int) is False + and isinstance(GCMC_ChemPot_or_Fugacity_dict[keys_i], float) + is False + ): + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict values must be an interger or float.\n" + ) if isinstance(keys_i, str) is False: - raise TypeError("The GCMC_ChemPot_or_Fugacity_dict keys must be a string.\n") + raise TypeError( + "The GCMC_ChemPot_or_Fugacity_dict keys must be a string.\n" + ) + + if ( + GCMC_ChemPot_or_Fugacity == "Fugacity" + and GCMC_ChemPot_or_Fugacity_dict[keys_i] < 0 + ): + raise ValueError( + "When using Fugacity, the GCMC_ChemPot_or_Fugacity values must be " + "greater than or equal to zero (>=0).\n" + ) - if GCMC_ChemPot_or_Fugacity == 'Fugacity' and GCMC_ChemPot_or_Fugacity_dict[keys_i] < 0: - raise ValueError('When using Fugacity, the GCMC_ChemPot_or_Fugacity values must be ' - 'greater than or equal to zero (>=0).\n') - # check the pressure values and set to atomospheric if not used -if simulation_type in ['NPT'] and (isinstance(simulation_pressure_bar, float) is False - and isinstance(simulation_pressure_bar, int) is False): - raise TypeError("The simulation pressure needs to be set for the NPT simulation type (int or float). \n") -if simulation_type in ['NPT'] and ( - isinstance(simulation_pressure_bar, float) is True or isinstance(simulation_pressure_bar, int) is True): +if simulation_type in ["NPT"] and ( + isinstance(simulation_pressure_bar, float) is False + and isinstance(simulation_pressure_bar, int) is False +): + raise TypeError( + "The simulation pressure needs to be set for the NPT simulation type (int or float). \n" + ) +if simulation_type in ["NPT"] and ( + isinstance(simulation_pressure_bar, float) is True + or isinstance(simulation_pressure_bar, int) is True +): if simulation_pressure_bar < 0: - raise ValueError("The simulation pressure needs to be set to a positive or zero [(int of float) >=0 bar] " - "value for the NPT simulation type. \n") -elif simulation_type in ['NVT', 'GEMC', 'GCMC']: + raise ValueError( + "The simulation pressure needs to be set to a positive or zero [(int of float) >=0 bar] " + "value for the NPT simulation type. \n" + ) +elif simulation_type in ["NVT", "GEMC", "GCMC"]: # set pressure to atomospheric as it needs a number and it is not used simulation_pressure_bar = 1.01325 -K_to_kcal_mol = 1.98720425864083 * 10**(-3) +K_to_kcal_mol = 1.98720425864083 * 10 ** (-3) python_file_directory = os.getcwd() -log_template_file = open("{}/NAMD_GOMC_started_at_cycle_No_{}.log".format(str(python_file_directory), - str(starting_at_cycle_namd_gomc_sims)), 'w') +log_template_file = open( + "{}/NAMD_GOMC_started_at_cycle_No_{}.log".format( + str(python_file_directory), str(starting_at_cycle_namd_gomc_sims) + ), + "w", +) start_time = datetime.datetime.today() start_time_s = datetime.datetime.today() -write_log_data = "*************************************************\n" \ - "date and time (start) = {} \n" \ - "************************************************* \n".format(str(start_time)) +write_log_data = ( + "*************************************************\n" + "date and time (start) = {} \n" + "************************************************* \n".format( + str(start_time) + ) +) log_template_file.write(str(write_log_data)) print(str(write_log_data)) -write_log_data = "*************************************************\n" + \ - "namd_bin_file = {} \n" \ - "************************************************* \n".format(str(namd_bin_file)) +write_log_data = ( + "*************************************************\n" + + "namd_bin_file = {} \n" + "************************************************* \n".format( + str(namd_bin_file) + ) +) log_template_file.write(str(write_log_data)) print(str(write_log_data)) -write_log_data = "*************************************************\n" + \ - "gomc_bin_file = {} \n" \ - "************************************************* \n".format(str(gomc_bin_file)) +write_log_data = ( + "*************************************************\n" + + "gomc_bin_file = {} \n" + "************************************************* \n".format( + str(gomc_bin_file) + ) +) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -555,34 +743,40 @@ def _get_args(): total_no_cores = no_core_box_0 + no_core_box_1 if no_core_box_1 == 0: - write_log_data = '*************************************************\n' \ - 'no_core_box_0 = {} \n' \ - 'WARNING: the number of CPU cores listed for box 1 is zero (0), and should be an ' \ - 'interger > 0, or the NAMD simulation for box 1 will not run and the python script ' \ - 'will crash \n, no_core_box_1 = {} \n' \ - '*************************************************' \ - ' \n'.format(str(no_core_box_0), str(no_core_box_1)) + write_log_data = ( + "*************************************************\n" + "no_core_box_0 = {} \n" + "WARNING: the number of CPU cores listed for box 1 is zero (0), and should be an " + "interger > 0, or the NAMD simulation for box 1 will not run and the python script " + "will crash \n, no_core_box_1 = {} \n" + "*************************************************" + " \n".format(str(no_core_box_0), str(no_core_box_1)) + ) log_template_file.write(str(write_log_data)) warn(str(write_log_data)) else: - write_log_data = "*************************************************\n" \ - "no_core_box_0 = {} \n" \ - "no_core_box_1 = {} \n" \ - "*************************************************" \ - " \n".format(str(no_core_box_0), str(no_core_box_1)) + write_log_data = ( + "*************************************************\n" + "no_core_box_0 = {} \n" + "no_core_box_1 = {} \n" + "*************************************************" + " \n".format(str(no_core_box_0), str(no_core_box_1)) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) else: if no_core_box_1 != 0: - write_log_data = "*************************************************\n" \ - "no_core_box_0 = {} .\n" \ - "WARNING: the number of CPU cores listed for box 1 are not being used, \n" \ - "no_core_box_1 = {}\n" \ - "*************************************************" \ - " \n".format(str(no_core_box_0), str(no_core_box_1)) + write_log_data = ( + "*************************************************\n" + "no_core_box_0 = {} .\n" + "WARNING: the number of CPU cores listed for box 1 are not being used, \n" + "no_core_box_1 = {}\n" + "*************************************************" + " \n".format(str(no_core_box_0), str(no_core_box_1)) + ) log_template_file.write(str(write_log_data)) warn(str(write_log_data)) no_core_box_1 = 0 @@ -591,31 +785,47 @@ def _get_args(): # Check total cores vs per box cores if isinstance(no_core_box_0, int) is False: - write_log_data = "*************************************************\n" \ - "Enter no_core_box_0 as an interger, no_core_box_0 = {} \n" \ - "************************************************* \n".format(str(no_core_box_0)) + write_log_data = ( + "*************************************************\n" + "Enter no_core_box_0 as an interger, no_core_box_0 = {} \n" + "************************************************* \n".format( + str(no_core_box_0) + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) if no_core_box_0 == 0: - write_log_data = "*************************************************\n" \ - "Enter no_core_box_0 as a non-zero number, no_core_box_0 = {} \n" \ - "************************************************* \n".format(str(no_core_box_0)) + write_log_data = ( + "*************************************************\n" + "Enter no_core_box_0 as a non-zero number, no_core_box_0 = {} \n" + "************************************************* \n".format( + str(no_core_box_0) + ) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) -if simulation_type in ['GEMC', 'GCMC']: +if simulation_type in ["GEMC", "GCMC"]: if isinstance(no_core_box_1, int) is False: - write_log_data = "*************************************************\n" \ - "Enter no_core_box_1 as an interger, no_core_box_1 = {} \n" \ - "************************************************* \n".format(str(no_core_box_1)) + write_log_data = ( + "*************************************************\n" + "Enter no_core_box_1 as an interger, no_core_box_1 = {} \n" + "************************************************* \n".format( + str(no_core_box_1) + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) if no_core_box_1 == 0: - write_log_data = "*************************************************\n" \ - "Enter no_core_box_1 as a non-zero number, no_core_box_1 = {} \n" \ - "************************************************* \n".format(str(no_core_box_1)) + write_log_data = ( + "*************************************************\n" + "Enter no_core_box_1 as a non-zero number, no_core_box_1 = {} \n" + "************************************************* \n".format( + str(no_core_box_1) + ) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) @@ -637,10 +847,12 @@ def calc_folder_zeros(run_number): """ total_run_no_digits = 10 - add_no_zeros_at_start_run_no = int(total_run_no_digits - len(str(run_number))) + add_no_zeros_at_start_run_no = int( + total_run_no_digits - len(str(run_number)) + ) add_number_of_zeros_at_start_run_no_str = "" for z in range(0, add_no_zeros_at_start_run_no): - add_number_of_zeros_at_start_run_no_str += '0' + add_number_of_zeros_at_start_run_no_str += "0" return add_number_of_zeros_at_start_run_no_str @@ -649,9 +861,29 @@ def calc_folder_zeros(run_number): starting_sims_namd_gomc = int(2 * starting_at_cycle_namd_gomc_sims) -default_namd_e_titles = ['ETITLE:', 'TS', 'BOND', 'ANGLE', 'DIHED', 'IMPRP', 'ELECT', 'VDW', 'BOUNDARY', - 'MISC', 'KINETIC', 'TOTAL', 'TEMP', 'POTENTIAL', 'TOTAL3', 'TEMPAVG', 'PRESSURE', - 'GPRESSURE', 'VOLUME', 'PRESSAVG', 'GPRESSAVG'] +default_namd_e_titles = [ + "ETITLE:", + "TS", + "BOND", + "ANGLE", + "DIHED", + "IMPRP", + "ELECT", + "VDW", + "BOUNDARY", + "MISC", + "KINETIC", + "TOTAL", + "TEMP", + "POTENTIAL", + "TOTAL3", + "TEMPAVG", + "PRESSURE", + "GPRESSURE", + "VOLUME", + "PRESSAVG", + "GPRESSAVG", +] def get_namd_run_0_pme_dim(box_number): @@ -676,35 +908,47 @@ def get_namd_run_0_pme_dim(box_number): The run 0 (1st NAMD simulation) run directory. """ - if isinstance(box_number, int) is False and (box_number != 0 and box_number != 1): - raise ValueError("ERROR: Enter an interger of 0 or 1 for box_number " - "in the get_namd_run_0_pme_dim function. \n") + if isinstance(box_number, int) is False and ( + box_number != 0 and box_number != 1 + ): + raise ValueError( + "ERROR: Enter an interger of 0 or 1 for box_number " + "in the get_namd_run_0_pme_dim function. \n" + ) namd_first_run_no = int(0) add_zeros_for_box_x_run_0 = calc_folder_zeros(namd_first_run_no) if box_number == 0: - namd_box_x_run_0_dir = "{}/{}/{}{}_a".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_for_box_x_run_0), - str(namd_first_run_no) - ) + namd_box_x_run_0_dir = "{}/{}/{}{}_a".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_for_box_x_run_0), + str(namd_first_run_no), + ) elif box_number == 1: - namd_box_x_run_0_dir = "{}/{}/{}{}_b".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_for_box_x_run_0), - str(namd_first_run_no) - ) + namd_box_x_run_0_dir = "{}/{}/{}{}_b".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_for_box_x_run_0), + str(namd_first_run_no), + ) try: - read_namd_box_x_run_0_log_file = open("{}/out.dat".format(namd_box_x_run_0_dir), 'r').readlines() + read_namd_box_x_run_0_log_file = open( + "{}/out.dat".format(namd_box_x_run_0_dir), "r" + ).readlines() for i, line in enumerate(read_namd_box_x_run_0_log_file): split_line = line.split() if len(split_line) >= 7: - if split_line[0] == 'Info:' and split_line[1] == 'PME' and \ - split_line[2] == 'GRID' and split_line[3] == 'DIMENSIONS': + if ( + split_line[0] == "Info:" + and split_line[1] == "PME" + and split_line[2] == "GRID" + and split_line[3] == "DIMENSIONS" + ): namd_x_pme_grid_dim = int(split_line[4]) namd_y_pme_grid_dim = int(split_line[5]) namd_z_pme_grid_dim = int(split_line[6]) @@ -714,7 +958,12 @@ def get_namd_run_0_pme_dim(box_number): namd_y_pme_grid_dim = None namd_z_pme_grid_dim = None - return namd_x_pme_grid_dim, namd_y_pme_grid_dim, namd_z_pme_grid_dim, namd_box_x_run_0_dir + return ( + namd_x_pme_grid_dim, + namd_y_pme_grid_dim, + namd_z_pme_grid_dim, + namd_box_x_run_0_dir, + ) def get_namd_run_0_fft_filename(box_number): @@ -732,26 +981,32 @@ def get_namd_run_0_fft_filename(box_number): The run 0 (1st NAMD simulation) FFT filename. """ - if isinstance(box_number, int) is False and (box_number != 0 and box_number != 1): - raise ValueError("ERROR: Enter an interger of 0 or 1 for box_number in " - "the get_namd_run_0_pme_dim function. \n") + if isinstance(box_number, int) is False and ( + box_number != 0 and box_number != 1 + ): + raise ValueError( + "ERROR: Enter an interger of 0 or 1 for box_number in " + "the get_namd_run_0_pme_dim function. \n" + ) namd_first_run_no = int(0) add_zeros_for_box_x_run_0 = calc_folder_zeros(namd_first_run_no) if box_number == 0: - namd_box_x_run_0_dir = "{}/{}/{}{}_a".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_for_box_x_run_0), - str(namd_first_run_no) - ) + namd_box_x_run_0_dir = "{}/{}/{}{}_a".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_for_box_x_run_0), + str(namd_first_run_no), + ) elif box_number == 1: - namd_box_x_run_0_dir = "{}/{}/{}{}_b".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_for_box_x_run_0), - str(namd_first_run_no) - ) + namd_box_x_run_0_dir = "{}/{}/{}{}_b".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_for_box_x_run_0), + str(namd_first_run_no), + ) try: namd_box_x_run_0_file_list = sorted(os.listdir(namd_box_x_run_0_dir)) except: @@ -759,16 +1014,24 @@ def get_namd_run_0_fft_filename(box_number): try: for q in range(0, len(namd_box_x_run_0_file_list)): - namd_box_x_run_0_fft_1st_9_char_filename = str(namd_box_x_run_0_file_list[q])[0:9] - if namd_box_x_run_0_fft_1st_9_char_filename == 'FFTW_NAMD': - namd_box_x_run_0_fft_namd_filename = namd_box_x_run_0_file_list[q] + namd_box_x_run_0_fft_1st_9_char_filename = str( + namd_box_x_run_0_file_list[q] + )[0:9] + if namd_box_x_run_0_fft_1st_9_char_filename == "FFTW_NAMD": + namd_box_x_run_0_fft_namd_filename = namd_box_x_run_0_file_list[ + q + ] return namd_box_x_run_0_fft_namd_filename, namd_box_x_run_0_dir except: - write_log_data = "*************************************************\n" \ - "The NAMD FFT file not deteted from Run 0 in Box {} \n" \ - "************************************************* \n".format(str(box_number)) + write_log_data = ( + "*************************************************\n" + "The NAMD FFT file not deteted from Run 0 in Box {} \n" + "************************************************* \n".format( + str(box_number) + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -782,24 +1045,35 @@ def delete_namd_run_0_fft_file(box_number): box_number : int The simulation box number, which can only be 0 or 1 """ - if isinstance(box_number, int) is False and (box_number != 0 and box_number != 1): - raise ValueError("ERROR Enter an interger of 0 or 1 for box_number in " - "the get_namd_run_0_pme_dim function. \n") - - write_log_data = "*************************************************\n" \ - "The NAMD FFT file was deleted from Run 0 in Box {} \n" \ - "************************************************* \n".format(str(box_number)) + if isinstance(box_number, int) is False and ( + box_number != 0 and box_number != 1 + ): + raise ValueError( + "ERROR Enter an interger of 0 or 1 for box_number in " + "the get_namd_run_0_pme_dim function. \n" + ) + + write_log_data = ( + "*************************************************\n" + "The NAMD FFT file was deleted from Run 0 in Box {} \n" + "************************************************* \n".format( + str(box_number) + ) + ) try: - namd_box_x_run_0_fft_namd_filename,\ - namd_box_x_run_0_dir = get_namd_run_0_fft_filename(box_number) + ( + namd_box_x_run_0_fft_namd_filename, + namd_box_x_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number) # delete the FFT file in the run 0 box - rm_namd_fft_box_0_command = "rm {}/{}".format(str(namd_box_x_run_0_dir), - str(namd_box_x_run_0_fft_namd_filename) - ) + rm_namd_fft_box_0_command = "rm {}/{}".format( + str(namd_box_x_run_0_dir), str(namd_box_x_run_0_fft_namd_filename) + ) - exec_rm_namd_fft_box_0_command = subprocess.Popen(rm_namd_fft_box_0_command, - shell=True, stderr=subprocess.STDOUT) + exec_rm_namd_fft_box_0_command = subprocess.Popen( + rm_namd_fft_box_0_command, shell=True, stderr=subprocess.STDOUT + ) os.waitpid(exec_rm_namd_fft_box_0_command.pid, os.WSTOPPED) log_template_file.write(str(write_log_data)) @@ -810,7 +1084,9 @@ def delete_namd_run_0_fft_file(box_number): print(str(write_log_data)) -def check_for_pdb_dims_and_override(dim_axis, run_no, read_dim, set_dim=None, only_on_run_no=0): +def check_for_pdb_dims_and_override( + dim_axis, run_no, read_dim, set_dim=None, only_on_run_no=0 +): """ Sets the x, y, or z dimension based on the pdb file values or the user input. @@ -840,21 +1116,37 @@ def check_for_pdb_dims_and_override(dim_axis, run_no, read_dim, set_dim=None, on # check user override dimensions if run_no == only_on_run_no: if read_dim is None: - if set_dim is not None and (isinstance(set_dim, float) or isinstance(set_dim, int)): + if set_dim is not None and ( + isinstance(set_dim, float) or isinstance(set_dim, int) + ): used_dim = set_dim else: - write_log_data = "ERROR: The user defined {}-dimension is None " \ - "or not an integer or a float, and the PDB file has no dimension information " \ - " \n".format(str(dim_axis)) + write_log_data = ( + "ERROR: The user defined {}-dimension is None " + "or not an integer or a float, and the PDB file has no dimension information " + " \n".format(str(dim_axis)) + ) log_template_file.write(str(write_log_data)) raise TypeError(str(write_log_data)) - elif read_dim is not None and set_dim != read_dim and (isinstance(set_dim, float) or isinstance(set_dim, int)): - write_log_data = "WARNING: The user defined {}-dimension is different " \ - "than the one read from the starting PDB file {}-dim_PDB = {}, " \ - "{}-dim_user_set = {}. The code is setting the user defined {}-dimension." \ - " \n".format(str(dim_axis), str(dim_axis), str(read_dim), - str(dim_axis), str(set_dim), str(dim_axis)) + elif ( + read_dim is not None + and set_dim != read_dim + and (isinstance(set_dim, float) or isinstance(set_dim, int)) + ): + write_log_data = ( + "WARNING: The user defined {}-dimension is different " + "than the one read from the starting PDB file {}-dim_PDB = {}, " + "{}-dim_user_set = {}. The code is setting the user defined {}-dimension." + " \n".format( + str(dim_axis), + str(dim_axis), + str(read_dim), + str(dim_axis), + str(set_dim), + str(dim_axis), + ) + ) log_template_file.write(str(write_log_data)) warn(str(write_log_data)) used_dim = set_dim @@ -868,14 +1160,32 @@ def check_for_pdb_dims_and_override(dim_axis, run_no, read_dim, set_dim=None, on return used_dim -def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_runs, gomc_newdir, - run_no, box_number, namd_run_steps, namd_minimize_steps, namd_rst_dcd_xst_steps, - namd_console_blkavg_e_and_p_steps, simulation_temp_k, simulation_pressure_bar, - starting_pdb_box_x_file, starting_psf_box_x_file, - namd_x_pme_grid_dim, namd_y_pme_grid_dim, namd_z_pme_grid_dim, - set_x_dim=None, set_y_dim=None, set_z_dim=None, - set_angle_alpha=90, set_angle_beta=90, set_angle_gamma=90, - fft_add_namd_ang_to_box_dim=0): +def write_namd_conf_file( + python_file_directory, + path_namd_template, + path_namd_runs, + gomc_newdir, + run_no, + box_number, + namd_run_steps, + namd_minimize_steps, + namd_rst_dcd_xst_steps, + namd_console_blkavg_e_and_p_steps, + simulation_temp_k, + simulation_pressure_bar, + starting_pdb_box_x_file, + starting_psf_box_x_file, + namd_x_pme_grid_dim, + namd_y_pme_grid_dim, + namd_z_pme_grid_dim, + set_x_dim=None, + set_y_dim=None, + set_z_dim=None, + set_angle_alpha=90, + set_angle_beta=90, + set_angle_gamma=90, + fft_add_namd_ang_to_box_dim=0, +): """ Writes the NAMD control file in the NAMD run numbered folder @@ -949,21 +1259,35 @@ def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_ru they can be added later, but for now all simulation but be orthoganol boxes """ - if isinstance(box_number, int) is False and (box_number != 0 or box_number != 1): - raise ValueError("Enter an interger of 0 or 1 for box_number in the get_namd_run_0_pme_dim function. \n") + if isinstance(box_number, int) is False and ( + box_number != 0 or box_number != 1 + ): + raise ValueError( + "Enter an interger of 0 or 1 for box_number in the get_namd_run_0_pme_dim function. \n" + ) # get NAMD box_x directory add_zeros_at_start_run_no_str = calc_folder_zeros(run_no) if box_number == 0: - namd_box_x_newdir = "{}/{}/{}{}_a".format(str(python_file_directory), path_namd_runs, - str(add_zeros_at_start_run_no_str), str(run_no)) + namd_box_x_newdir = "{}/{}/{}{}_a".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_at_start_run_no_str), + str(run_no), + ) elif box_number == 1: - namd_box_x_newdir = "{}/{}/{}{}_b".format(str(python_file_directory), path_namd_runs, - str(add_zeros_at_start_run_no_str), str(run_no)) + namd_box_x_newdir = "{}/{}/{}{}_b".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_at_start_run_no_str), + str(run_no), + ) os.makedirs(namd_box_x_newdir, exist_ok=True) - generate_namd_file = open("{}/in.conf".format(namd_box_x_newdir), 'w') + generate_namd_file = open("{}/in.conf".format(namd_box_x_newdir), "w") - namd_template_file = open("{}/{}".format(str(python_file_directory), path_namd_template), 'r') + namd_template_file = open( + "{}/{}".format(str(python_file_directory), path_namd_template), "r" + ) namd_template_data = namd_template_file.read() namd_template_file.close() @@ -976,67 +1300,88 @@ def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_ru namd_starting_ff_files = "" for namd_ff_i in starting_ff_file_list_namd: namd_ff_i = os.path.relpath(namd_ff_i, namd_box_x_newdir) - namd_starting_ff_files = namd_starting_ff_files + "parameters \t {}\n".format(namd_ff_i) + namd_starting_ff_files = ( + namd_starting_ff_files + "parameters \t {}\n".format(namd_ff_i) + ) - new_namd_data = namd_template_data.replace("all_parameter_files", str(namd_starting_ff_files)) + new_namd_data = namd_template_data.replace( + "all_parameter_files", str(namd_starting_ff_files) + ) gomc_rel_path = os.path.relpath(str(gomc_newdir), namd_box_x_newdir) - new_namd_data = new_namd_data.replace("pdb_box_file", - "{}/Output_data_BOX_{}_restart.pdb" - "".format(gomc_rel_path, str(box_number)) - ) - new_namd_data = new_namd_data.replace("psf_box_file", - "{}/Output_data_BOX_{}_restart.psf" - "".format(gomc_rel_path, str(box_number)) - ) - - new_namd_data = new_namd_data.replace("coor_file", - "{}/Output_data_BOX_{}_restart.coor" - "".format(gomc_rel_path, str(box_number)) - ) - new_namd_data = new_namd_data.replace("xsc_file", - "{}/Output_data_BOX_{}_restart.xsc" - "".format(gomc_rel_path, str(box_number)) - ) - new_namd_data = new_namd_data.replace("vel_file", - "{}/Output_data_BOX_{}_restart.vel" - "".format(gomc_rel_path, str(box_number)) - ) + new_namd_data = new_namd_data.replace( + "pdb_box_file", + "{}/Output_data_BOX_{}_restart.pdb" + "".format(gomc_rel_path, str(box_number)), + ) + new_namd_data = new_namd_data.replace( + "psf_box_file", + "{}/Output_data_BOX_{}_restart.psf" + "".format(gomc_rel_path, str(box_number)), + ) + + new_namd_data = new_namd_data.replace( + "coor_file", + "{}/Output_data_BOX_{}_restart.coor" + "".format(gomc_rel_path, str(box_number)), + ) + new_namd_data = new_namd_data.replace( + "xsc_file", + "{}/Output_data_BOX_{}_restart.xsc" + "".format(gomc_rel_path, str(box_number)), + ) + new_namd_data = new_namd_data.replace( + "vel_file", + "{}/Output_data_BOX_{}_restart.vel" + "".format(gomc_rel_path, str(box_number)), + ) new_namd_data = new_namd_data.replace("Bool_restart", str("true")) # Read the angles from the intital/starting PDB file - read_pdb_file = open("{}/Output_data_BOX_{}_restart.pdb" - "".format(str(gomc_newdir), str(box_number)), 'r').readlines() + read_pdb_file = open( + "{}/Output_data_BOX_{}_restart.pdb" + "".format(str(gomc_newdir), str(box_number)), + "r", + ).readlines() else: namd_starting_ff_files = "" for namd_ff_i in starting_ff_file_list_namd: namd_ff_i = os.path.relpath(namd_ff_i, namd_box_x_newdir) - namd_starting_ff_files = namd_starting_ff_files + "parameters \t {}\n".format(namd_ff_i) - - new_namd_data = namd_template_data.replace("all_parameter_files", str(namd_starting_ff_files)) - - namd_starting_pdb_rel_path = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_pdb_box_x_file), - namd_box_x_newdir) - new_namd_data = new_namd_data.replace("pdb_box_file", - "{}".format(namd_starting_pdb_rel_path) - ) - - namd_starting_psf_rel_path = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_psf_box_x_file), - namd_box_x_newdir) - new_namd_data = new_namd_data.replace("psf_box_file", - "{}".format(namd_starting_psf_rel_path) - ) + namd_starting_ff_files = ( + namd_starting_ff_files + "parameters \t {}\n".format(namd_ff_i) + ) + + new_namd_data = namd_template_data.replace( + "all_parameter_files", str(namd_starting_ff_files) + ) + + namd_starting_pdb_rel_path = os.path.relpath( + "{}/{}".format(str(python_file_directory), starting_pdb_box_x_file), + namd_box_x_newdir, + ) + new_namd_data = new_namd_data.replace( + "pdb_box_file", "{}".format(namd_starting_pdb_rel_path) + ) + + namd_starting_psf_rel_path = os.path.relpath( + "{}/{}".format(str(python_file_directory), starting_psf_box_x_file), + namd_box_x_newdir, + ) + new_namd_data = new_namd_data.replace( + "psf_box_file", "{}".format(namd_starting_psf_rel_path) + ) new_namd_data = new_namd_data.replace("coor_file", str("NA")) new_namd_data = new_namd_data.replace("xsc_file", str("NA")) new_namd_data = new_namd_data.replace("vel_file", str("NA")) new_namd_data = new_namd_data.replace("Bool_restart", str("false")) - read_pdb_file = open("{}/{}".format(str(python_file_directory), starting_pdb_box_x_file), 'r').readlines() + read_pdb_file = open( + "{}/{}".format(str(python_file_directory), starting_pdb_box_x_file), + "r", + ).readlines() read_x_dim = None read_y_dim = None @@ -1046,7 +1391,7 @@ def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_ru read_angle_gamma = None # Read the angles from the intial/starting PDB file for i, line in enumerate(read_pdb_file): - if 'CRYST1' in line: + if "CRYST1" in line: read_x_dim = read_pdb_file[i].split()[1:2] read_x_dim = float(read_x_dim[0]) read_y_dim = read_pdb_file[i].split()[2:3] @@ -1062,91 +1407,127 @@ def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_ru read_angle_gamma = float(read_angle_gamma[0]) # check user override x-dimensions - used_x_dim = check_for_pdb_dims_and_override("x", run_no, read_x_dim, set_dim=set_x_dim, only_on_run_no=0) + used_x_dim = check_for_pdb_dims_and_override( + "x", run_no, read_x_dim, set_dim=set_x_dim, only_on_run_no=0 + ) # check user override y-dimensions - used_y_dim = check_for_pdb_dims_and_override("y", run_no, read_y_dim, set_dim=set_y_dim, only_on_run_no=0) + used_y_dim = check_for_pdb_dims_and_override( + "y", run_no, read_y_dim, set_dim=set_y_dim, only_on_run_no=0 + ) # check user override z-dimensions - used_z_dim = check_for_pdb_dims_and_override("z", run_no, read_z_dim, set_dim=set_z_dim, only_on_run_no=0) + used_z_dim = check_for_pdb_dims_and_override( + "z", run_no, read_z_dim, set_dim=set_z_dim, only_on_run_no=0 + ) # check box for othoganality # check the read_angle_alpha if read_angle_alpha is not None and read_angle_alpha != 90: if run_no == 0: - write_log_data = "ERROR: The alpha angle is not 90 degress as read from the " \ - "starting PDB file, read_angle_alpha_PDB = {}. " \ - "Only alpha angle of 90 degress or None is currently " \ - "allowed. \n".format(str(read_angle_alpha)) + write_log_data = ( + "ERROR: The alpha angle is not 90 degress as read from the " + "starting PDB file, read_angle_alpha_PDB = {}. " + "Only alpha angle of 90 degress or None is currently " + "allowed. \n".format(str(read_angle_alpha)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) if set_angle_alpha is not None and set_angle_alpha != 90: if run_no == 0: - write_log_data = "ERROR: The alpha angle is not 90 degress as set by the user," \ - "set_angle_alpha = {}. " \ - "Only alpha angle of 90 degress or None is currently " \ - "allowed. \n".format(str(set_angle_alpha)) + write_log_data = ( + "ERROR: The alpha angle is not 90 degress as set by the user," + "set_angle_alpha = {}. " + "Only alpha angle of 90 degress or None is currently " + "allowed. \n".format(str(set_angle_alpha)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) # check the read_angle_beta if read_angle_beta is not None and read_angle_beta != 90: if run_no == 0: - write_log_data = "ERROR: The beta angle is not 90 degress as read from the " \ - "starting PDB file, read_angle_beta_PDB = {}. " \ - "Only beta angle of 90 degress or None is currently " \ - "allowed. \n".format(str(read_angle_beta)) + write_log_data = ( + "ERROR: The beta angle is not 90 degress as read from the " + "starting PDB file, read_angle_beta_PDB = {}. " + "Only beta angle of 90 degress or None is currently " + "allowed. \n".format(str(read_angle_beta)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) if set_angle_beta is not None and set_angle_beta != 90: if run_no == 0: - write_log_data = "ERROR: The beta angle is not 90 degress as set by the user " \ - "set_angle_beta = {}. Only beta angle of 90 degress or None is currently " \ - "allowed. \n".format(str(set_angle_beta)) + write_log_data = ( + "ERROR: The beta angle is not 90 degress as set by the user " + "set_angle_beta = {}. Only beta angle of 90 degress or None is currently " + "allowed. \n".format(str(set_angle_beta)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) # check the read_angle_gamma if read_angle_gamma is not None and read_angle_gamma != 90: if run_no == 0: - write_log_data = "ERROR: The gamma angle is not 90 degress as read from the " \ - "starting PDB file read_angle_gamma_PDB = {}. " \ - "Only gamma angle of 90 degress or None is currently " \ - "allowed. \n".format(str(read_angle_gamma)) + write_log_data = ( + "ERROR: The gamma angle is not 90 degress as read from the " + "starting PDB file read_angle_gamma_PDB = {}. " + "Only gamma angle of 90 degress or None is currently " + "allowed. \n".format(str(read_angle_gamma)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) if set_angle_gamma is not None and set_angle_gamma != 90: if run_no == 0: - write_log_data = "ERROR: The gamma angle is not 90 degress as set by the user " \ - "set_angle_gamma = {}. Only gamma angle of 90 degress or None is currently " \ - "allowed. \n".format(str(set_angle_gamma)) + write_log_data = ( + "ERROR: The gamma angle is not 90 degress as set by the user " + "set_angle_gamma = {}. Only gamma angle of 90 degress or None is currently " + "allowed. \n".format(str(set_angle_gamma)) + ) log_template_file.write(str(write_log_data)) raise ValueError(str(write_log_data)) new_namd_data = new_namd_data.replace("x_dim_box", str(used_x_dim)) new_namd_data = new_namd_data.replace("y_dim_box", str(used_y_dim)) new_namd_data = new_namd_data.replace("z_dim_box", str(used_z_dim)) - new_namd_data = new_namd_data.replace("x_origin_box", str(used_x_dim/2)) - new_namd_data = new_namd_data.replace("y_origin_box", str(used_y_dim/2)) - new_namd_data = new_namd_data.replace("z_origin_box", str(used_z_dim/2)) - - new_namd_data = new_namd_data.replace("NAMD_Run_Steps", str((int(namd_run_steps)))) - new_namd_data = new_namd_data.replace("NAMD_Minimize", str(int(namd_minimize_steps))) - new_namd_data = new_namd_data.replace("NAMD_RST_DCD_XST_Steps", str((int(namd_rst_dcd_xst_steps)))) - new_namd_data = new_namd_data.replace("NAMD_console_BLKavg_E_and_P_Steps", - str(int(namd_console_blkavg_e_and_p_steps))) + new_namd_data = new_namd_data.replace("x_origin_box", str(used_x_dim / 2)) + new_namd_data = new_namd_data.replace("y_origin_box", str(used_y_dim / 2)) + new_namd_data = new_namd_data.replace("z_origin_box", str(used_z_dim / 2)) + + new_namd_data = new_namd_data.replace( + "NAMD_Run_Steps", str((int(namd_run_steps))) + ) + new_namd_data = new_namd_data.replace( + "NAMD_Minimize", str(int(namd_minimize_steps)) + ) + new_namd_data = new_namd_data.replace( + "NAMD_RST_DCD_XST_Steps", str((int(namd_rst_dcd_xst_steps))) + ) + new_namd_data = new_namd_data.replace( + "NAMD_console_BLKavg_E_and_P_Steps", + str(int(namd_console_blkavg_e_and_p_steps)), + ) new_namd_data = new_namd_data.replace("current_step", str((int(0)))) - new_namd_data = new_namd_data.replace("System_temp_set", str(simulation_temp_k)) - new_namd_data = new_namd_data.replace("System_press_set", str(simulation_pressure_bar)) + new_namd_data = new_namd_data.replace( + "System_temp_set", str(simulation_temp_k) + ) + new_namd_data = new_namd_data.replace( + "System_press_set", str(simulation_pressure_bar) + ) if run_no != 0: - new_namd_data = new_namd_data.replace("X_PME_GRID_DIM", str(namd_x_pme_grid_dim)) - new_namd_data = new_namd_data.replace("Y_PME_GRID_DIM", str(namd_y_pme_grid_dim)) - new_namd_data = new_namd_data.replace("Z_PME_GRID_DIM", str(namd_z_pme_grid_dim)) + new_namd_data = new_namd_data.replace( + "X_PME_GRID_DIM", str(namd_x_pme_grid_dim) + ) + new_namd_data = new_namd_data.replace( + "Y_PME_GRID_DIM", str(namd_y_pme_grid_dim) + ) + new_namd_data = new_namd_data.replace( + "Z_PME_GRID_DIM", str(namd_z_pme_grid_dim) + ) else: # add x number times more point to the PME grid for "GEMC", "NPT". @@ -1154,24 +1535,44 @@ def write_namd_conf_file(python_file_directory, path_namd_template, path_namd_ru # allowable volume change = scalar_dim_mult^3 = 1.3^3 if simulation_type in ["GEMC", "NPT"]: scalar_dim_mult = 1.3 - used_and_scaled_namd_pme_x_dim = (used_x_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult - used_and_scaled_namd_pme_y_dim = (used_y_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult - used_and_scaled_namd_pme_z_dim = (used_z_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult + used_and_scaled_namd_pme_x_dim = ( + used_x_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult + used_and_scaled_namd_pme_y_dim = ( + used_y_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult + used_and_scaled_namd_pme_z_dim = ( + used_z_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult else: scalar_dim_mult = 1 - used_and_scaled_namd_pme_x_dim = (used_x_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult - used_and_scaled_namd_pme_y_dim = (used_y_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult - used_and_scaled_namd_pme_z_dim = (used_z_dim + fft_add_namd_ang_to_box_dim) * scalar_dim_mult - - new_namd_data = new_namd_data.replace("X_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_x_dim + 1))) - new_namd_data = new_namd_data.replace("Y_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_y_dim + 1))) - new_namd_data = new_namd_data.replace("Z_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_z_dim + 1))) + used_and_scaled_namd_pme_x_dim = ( + used_x_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult + used_and_scaled_namd_pme_y_dim = ( + used_y_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult + used_and_scaled_namd_pme_z_dim = ( + used_z_dim + fft_add_namd_ang_to_box_dim + ) * scalar_dim_mult + + new_namd_data = new_namd_data.replace( + "X_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_x_dim + 1)) + ) + new_namd_data = new_namd_data.replace( + "Y_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_y_dim + 1)) + ) + new_namd_data = new_namd_data.replace( + "Z_PME_GRID_DIM", str(int(used_and_scaled_namd_pme_z_dim + 1)) + ) generate_namd_file.write(new_namd_data) generate_namd_file.close() - write_log_data = "NAMD simulation data for simulation number {} in box {} is " \ - "completed \n".format(str(run_no), str(box_number)) + write_log_data = ( + "NAMD simulation data for simulation number {} in box {} is " + "completed \n".format(str(run_no), str(box_number)) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -1225,14 +1626,14 @@ def get_namd_energy_data(read_namd_box_x_energy_file, e_default_namd_titles): get_e_titles = True e_values_namd_list = [] for i, line in enumerate(read_namd_box_x_energy_file): - if line.startswith('ETITLE:') is True and get_e_titles is True: + if line.startswith("ETITLE:") is True and get_e_titles is True: e_titles_namd_iteration = read_namd_box_x_energy_file[i] e_titles_namd_iteration = e_titles_namd_iteration.split() e_titles_namd_iteration = e_titles_namd_iteration[:] if get_e_titles is True: get_e_titles = False - if line.startswith('ENERGY:') is True: + if line.startswith("ENERGY:") is True: e_values_namd_iteration = read_namd_box_x_energy_file[i] e_values_namd_iteration = e_values_namd_iteration.split() e_values_namd_list.append(e_values_namd_iteration) @@ -1242,34 +1643,62 @@ def get_namd_energy_data(read_namd_box_x_energy_file, e_default_namd_titles): except: e_titles_namd_iteration = e_default_namd_titles - namd_energy_data_box_x_df = pd.DataFrame(data=e_values_namd_list, columns=e_titles_namd_iteration) + namd_energy_data_box_x_df = pd.DataFrame( + data=e_values_namd_list, columns=e_titles_namd_iteration + ) # extract energy data from box 0 - namd_e_electro_box_x = namd_energy_data_box_x_df.loc[:, 'ELECT'] - namd_e_electro_box_x_initial_value = float(namd_e_electro_box_x.values.tolist()[0]) - namd_e_electro_box_x_final_value = float(namd_e_electro_box_x.values.tolist()[-1]) - namd_e_potential_box_x = namd_energy_data_box_x_df.loc[:, 'POTENTIAL'] - namd_e_potential_box_x_initial_value = float(namd_e_potential_box_x.values.tolist()[0]) - namd_e_potential_box_x_final_value = float(namd_e_potential_box_x.values.tolist()[-1]) - namd_e_vdw_box_x = namd_energy_data_box_x_df.loc[:, 'VDW'] + namd_e_electro_box_x = namd_energy_data_box_x_df.loc[:, "ELECT"] + namd_e_electro_box_x_initial_value = float( + namd_e_electro_box_x.values.tolist()[0] + ) + namd_e_electro_box_x_final_value = float( + namd_e_electro_box_x.values.tolist()[-1] + ) + namd_e_potential_box_x = namd_energy_data_box_x_df.loc[:, "POTENTIAL"] + namd_e_potential_box_x_initial_value = float( + namd_e_potential_box_x.values.tolist()[0] + ) + namd_e_potential_box_x_final_value = float( + namd_e_potential_box_x.values.tolist()[-1] + ) + namd_e_vdw_box_x = namd_energy_data_box_x_df.loc[:, "VDW"] namd_e_vdw_box_x_initial_value = float(namd_e_vdw_box_x.values.tolist()[0]) namd_e_vdw_box_x_final_value = float(namd_e_vdw_box_x.values.tolist()[-1]) - namd_e_vdw_plus_elec_box_x = [float(namd_e_vdw_box_x[k_i]) + float(namd_e_electro_box_x[k_i]) - for k_i in range(0, len(namd_e_vdw_box_x))] - - namd_e_vdw_plus_elec_box_x_initial_value = float(namd_e_vdw_plus_elec_box_x[0]) - namd_e_vdw_plus_elec_box_x_final_value = float(namd_e_vdw_plus_elec_box_x[-1]) - - - return namd_e_electro_box_x, namd_e_electro_box_x_initial_value, namd_e_electro_box_x_final_value,\ - namd_e_potential_box_x, namd_e_potential_box_x_initial_value, namd_e_potential_box_x_final_value, \ - namd_e_vdw_plus_elec_box_x, namd_e_vdw_plus_elec_box_x_initial_value, namd_e_vdw_plus_elec_box_x_final_value - - -def compare_namd_gomc_energies(e_potential_box_x_final_value, e_potential_box_x_initial_value, - e_vdw_plus_elec_box_x_final_value, e_vdw_plus_elec_box_x_initial_value, - run_no, box_number): + namd_e_vdw_plus_elec_box_x = [ + float(namd_e_vdw_box_x[k_i]) + float(namd_e_electro_box_x[k_i]) + for k_i in range(0, len(namd_e_vdw_box_x)) + ] + + namd_e_vdw_plus_elec_box_x_initial_value = float( + namd_e_vdw_plus_elec_box_x[0] + ) + namd_e_vdw_plus_elec_box_x_final_value = float( + namd_e_vdw_plus_elec_box_x[-1] + ) + + return ( + namd_e_electro_box_x, + namd_e_electro_box_x_initial_value, + namd_e_electro_box_x_final_value, + namd_e_potential_box_x, + namd_e_potential_box_x_initial_value, + namd_e_potential_box_x_final_value, + namd_e_vdw_plus_elec_box_x, + namd_e_vdw_plus_elec_box_x_initial_value, + namd_e_vdw_plus_elec_box_x_final_value, + ) + + +def compare_namd_gomc_energies( + e_potential_box_x_final_value, + e_potential_box_x_initial_value, + e_vdw_plus_elec_box_x_final_value, + e_vdw_plus_elec_box_x_initial_value, + run_no, + box_number, +): """ Compares the NAMD and GOMC energies when switching between simulation engines. GOMC does not currently (2-26-21) @@ -1277,7 +1706,7 @@ def compare_namd_gomc_energies(e_potential_box_x_final_value, e_potential_box_x_ You will recieve warnings since GOMC does not calculate the impropers. Otherwise, they should be the same or nearly the same between GOMC and NAMD. The data is printing on the screen and - the Hybrid GOMC-NAMD log file. One GOMC and one NAMD file must + the Hybrid GOMC-NAMD log file. One GOMC and one NAMD file must either be the initial or last values. Parameters @@ -1302,83 +1731,139 @@ def compare_namd_gomc_energies(e_potential_box_x_final_value, e_potential_box_x_ # calc error in potential energies box x try: - error_fract_in_potential_box_x = np.abs((e_potential_box_x_final_value - e_potential_box_x_initial_value) / - e_potential_box_x_final_value) + error_fract_in_potential_box_x = np.abs( + (e_potential_box_x_final_value - e_potential_box_x_initial_value) + / e_potential_box_x_final_value + ) except: - if e_potential_box_x_final_value == 0 and e_potential_box_x_initial_value == 0: + if ( + e_potential_box_x_final_value == 0 + and e_potential_box_x_initial_value == 0 + ): error_fract_in_potential_box_x = 0 else: - error_fract_in_potential_box_x = 'NA' - - if error_fract_in_potential_box_x != 'NA' and error_fract_in_potential_box_x <= \ - allowable_error_fraction_potential: - write_log_data = "PASSED: Box {}: Potential energies error fraction between the check " \ - "between the last point in run {}" \ - " and the first point in run {}, error fraction = {}" \ - " \n".format(str(box_number), str(int(run_no - 1)), - str(int(run_no)), str(error_fract_in_potential_box_x) - ) + error_fract_in_potential_box_x = "NA" + + if ( + error_fract_in_potential_box_x != "NA" + and error_fract_in_potential_box_x <= allowable_error_fraction_potential + ): + write_log_data = ( + "PASSED: Box {}: Potential energies error fraction between the check " + "between the last point in run {}" + " and the first point in run {}, error fraction = {}" + " \n".format( + str(box_number), + str(int(run_no - 1)), + str(int(run_no)), + str(error_fract_in_potential_box_x), + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) else: - write_log_data = "FAILED: Box {}: Potential energies error fraction between the last " \ - "point in run {} and the first point in run {}, error fraction = {}" \ - " \n".format(str(box_number), str(int(run_no - 1)), - str(int(run_no)), str(error_fract_in_potential_box_x) - ) - log_template_file.write('WARNING: ' + str(write_log_data)) + write_log_data = ( + "FAILED: Box {}: Potential energies error fraction between the last " + "point in run {} and the first point in run {}, error fraction = {}" + " \n".format( + str(box_number), + str(int(run_no - 1)), + str(int(run_no)), + str(error_fract_in_potential_box_x), + ) + ) + log_template_file.write("WARNING: " + str(write_log_data)) warn(write_log_data) - # calc error in VDW + Electrostatics box x try: - error_fract_in_vdw_plus_elec_box_x = np.abs((e_vdw_plus_elec_box_x_final_value - - e_vdw_plus_elec_box_x_initial_value) / - e_vdw_plus_elec_box_x_final_value) + error_fract_in_vdw_plus_elec_box_x = np.abs( + ( + e_vdw_plus_elec_box_x_final_value + - e_vdw_plus_elec_box_x_initial_value + ) + / e_vdw_plus_elec_box_x_final_value + ) except: - if e_vdw_plus_elec_box_x_final_value == 0 and e_vdw_plus_elec_box_x_initial_value == 0: + if ( + e_vdw_plus_elec_box_x_final_value == 0 + and e_vdw_plus_elec_box_x_initial_value == 0 + ): error_fract_in_vdw_plus_elec_box_x = 0 else: - error_fract_in_vdw_plus_elec_box_x = 'NA' - - abs_diff_in_vdw_plus_elec_box_x = np.abs(e_vdw_plus_elec_box_x_final_value - e_vdw_plus_elec_box_x_initial_value) - - if error_fract_in_vdw_plus_elec_box_x != 'NA' and error_fract_in_vdw_plus_elec_box_x <= \ - allowable_error_fraction_vdw_plus_elec: - write_log_data = "PASSED: Box {}: VDW + electrostatic fraction between the last point in run {}" \ - " and the first point in run {}, error fraction = {}" \ - " \n".format(str(box_number), str(int(run_no - 1)), - str(int(run_no)), str(error_fract_in_vdw_plus_elec_box_x) - ) + error_fract_in_vdw_plus_elec_box_x = "NA" + + abs_diff_in_vdw_plus_elec_box_x = np.abs( + e_vdw_plus_elec_box_x_final_value - e_vdw_plus_elec_box_x_initial_value + ) + + if ( + error_fract_in_vdw_plus_elec_box_x != "NA" + and error_fract_in_vdw_plus_elec_box_x + <= allowable_error_fraction_vdw_plus_elec + ): + write_log_data = ( + "PASSED: Box {}: VDW + electrostatic fraction between the last point in run {}" + " and the first point in run {}, error fraction = {}" + " \n".format( + str(box_number), + str(int(run_no - 1)), + str(int(run_no)), + str(error_fract_in_vdw_plus_elec_box_x), + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) - elif abs_diff_in_vdw_plus_elec_box_x <= max_absolute_allowable_kcal_fraction_vdw_plus_elec: - write_log_data = "PASSED: Box {}: The VDW + electrostatic energy error fraction between the last point in run {} " \ - "and the first point in run {}, absolute difference is = {} kcal/mol." \ - " \n".format(str(box_number), str(int(run_no - 1)), - str(int(run_no)), str(abs_diff_in_vdw_plus_elec_box_x), - ) + elif ( + abs_diff_in_vdw_plus_elec_box_x + <= max_absolute_allowable_kcal_fraction_vdw_plus_elec + ): + write_log_data = ( + "PASSED: Box {}: The VDW + electrostatic energy error fraction between the last point in run {} " + "and the first point in run {}, absolute difference is = {} kcal/mol." + " \n".format( + str(box_number), + str(int(run_no - 1)), + str(int(run_no)), + str(abs_diff_in_vdw_plus_elec_box_x), + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) else: - write_log_data = "FAILED: Box {}: vdw_plus_elec energy error fraction between the last point in run {} " \ - "and the first point in run {}, error fraction = {} or the absolute " \ - "difference is = {} kcal/mol." \ - " \n".format(str(box_number), str(int(run_no - 1)), - str(int(run_no)), str(error_fract_in_vdw_plus_elec_box_x), - str(abs_diff_in_vdw_plus_elec_box_x) - ) - log_template_file.write('WARNING: ' + str(write_log_data)) + write_log_data = ( + "FAILED: Box {}: vdw_plus_elec energy error fraction between the last point in run {} " + "and the first point in run {}, error fraction = {} or the absolute " + "difference is = {} kcal/mol." + " \n".format( + str(box_number), + str(int(run_no - 1)), + str(int(run_no)), + str(error_fract_in_vdw_plus_elec_box_x), + str(abs_diff_in_vdw_plus_elec_box_x), + ) + ) + log_template_file.write("WARNING: " + str(write_log_data)) warn(str(write_log_data)) -def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run_steps, - gomc_rst_coor_ckpoint_steps, gomc_console_blkavg_hist_steps, gomc_hist_sample_steps, - simulation_temp_k, simulation_pressure_bar, - starting_pdb_box_0_file, starting_pdb_box_1_file, - starting_psf_box_0_file, starting_psf_box_1_file): +def write_gomc_conf_file( + python_file_directory, + path_gomc_runs, + run_no, + gomc_run_steps, + gomc_rst_coor_ckpoint_steps, + gomc_console_blkavg_hist_steps, + gomc_hist_sample_steps, + simulation_temp_k, + simulation_pressure_bar, + starting_pdb_box_0_file, + starting_pdb_box_1_file, + starting_psf_box_0_file, + starting_psf_box_1_file, +): """ Writes the NAMD control file in the NAMD run numbered folder @@ -1432,69 +1917,89 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run """ # Create the GOMC configuration file - gomc_template_file = open("{}/{}".format(str(python_file_directory), path_gomc_template), 'r') + gomc_template_file = open( + "{}/{}".format(str(python_file_directory), path_gomc_template), "r" + ) gomc_template_data = gomc_template_file.read() gomc_template_file.close() - gomc_newdir = "{}/{}/{}{}".format(str(python_file_directory), path_gomc_runs, - str(add_zeros_at_start_run_no_str), str(run_no)) + gomc_newdir = "{}/{}/{}{}".format( + str(python_file_directory), + path_gomc_runs, + str(add_zeros_at_start_run_no_str), + str(run_no), + ) os.makedirs(gomc_newdir, exist_ok=True) - previous_namd_box_0_rel_path = os.path.relpath(namd_box_0_newdir, gomc_newdir) + previous_namd_box_0_rel_path = os.path.relpath( + namd_box_0_newdir, gomc_newdir + ) - write_log_data = "*************************************************" + ' \n' + write_log_data = "*************************************************" + " \n" log_template_file.write(str(write_log_data)) print(str(write_log_data)) - generate_gomc_file = open("{}/in.conf".format(gomc_newdir), 'w') + generate_gomc_file = open("{}/in.conf".format(gomc_newdir), "w") gomc_starting_ff_files = "" for gomc_ff_i in starting_ff_file_list_gomc: gomc_ff_i = os.path.relpath(gomc_ff_i, gomc_newdir) - gomc_starting_ff_files = gomc_starting_ff_files + "Parameters \t {}\n".format(gomc_ff_i) - - new_gomc_data = gomc_template_data.replace("all_parameter_files", str(gomc_starting_ff_files)) - - new_gomc_data = new_gomc_data.replace("coor_box_0_file", - '{}/namdOut.restart.coor'.format(previous_namd_box_0_rel_path) - ) - new_gomc_data = new_gomc_data.replace("xsc_box_0_file", '{}/namdOut.restart.xsc' - ''.format(previous_namd_box_0_rel_path) - ) - new_gomc_data = new_gomc_data.replace("vel_box_0_file", '{}/namdOut.restart.vel' - ''.format(previous_namd_box_0_rel_path) - ) - - if previous_gomc_dir == 'NA': - new_gomc_data = new_gomc_data.replace("Restart_Checkpoint_file", - "false {}" - "".format("Output_data_restart.chk")) - - gomc_starting_pdb_rel_path_box_0 = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_pdb_box_0_file), - gomc_newdir) - new_gomc_data = new_gomc_data.replace("pdb_file_box_0_file", - '{}'.format(gomc_starting_pdb_rel_path_box_0) - ) - - gomc_starting_psf_rel_path_box_0 = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_psf_box_0_file), - gomc_newdir) - new_gomc_data = new_gomc_data.replace("psf_file_box_0_file", - '{}'.format(gomc_starting_psf_rel_path_box_0) - ) + gomc_starting_ff_files = ( + gomc_starting_ff_files + "Parameters \t {}\n".format(gomc_ff_i) + ) + + new_gomc_data = gomc_template_data.replace( + "all_parameter_files", str(gomc_starting_ff_files) + ) + + new_gomc_data = new_gomc_data.replace( + "coor_box_0_file", + "{}/namdOut.restart.coor".format(previous_namd_box_0_rel_path), + ) + new_gomc_data = new_gomc_data.replace( + "xsc_box_0_file", + "{}/namdOut.restart.xsc" "".format(previous_namd_box_0_rel_path), + ) + new_gomc_data = new_gomc_data.replace( + "vel_box_0_file", + "{}/namdOut.restart.vel" "".format(previous_namd_box_0_rel_path), + ) + + if previous_gomc_dir == "NA": + new_gomc_data = new_gomc_data.replace( + "Restart_Checkpoint_file", + "false {}" "".format("Output_data_restart.chk"), + ) + + gomc_starting_pdb_rel_path_box_0 = os.path.relpath( + "{}/{}".format(str(python_file_directory), starting_pdb_box_0_file), + gomc_newdir, + ) + new_gomc_data = new_gomc_data.replace( + "pdb_file_box_0_file", "{}".format(gomc_starting_pdb_rel_path_box_0) + ) + + gomc_starting_psf_rel_path_box_0 = os.path.relpath( + "{}/{}".format(str(python_file_directory), starting_psf_box_0_file), + gomc_newdir, + ) + new_gomc_data = new_gomc_data.replace( + "psf_file_box_0_file", "{}".format(gomc_starting_psf_rel_path_box_0) + ) else: previous_gomc_rel_path = os.path.relpath(previous_gomc_dir, gomc_newdir) - new_gomc_data = new_gomc_data.replace("pdb_file_box_0_file", - '{}/Output_data_BOX_0_restart.pdb'.format(previous_gomc_rel_path) - ) - new_gomc_data = new_gomc_data.replace("psf_file_box_0_file", - '{}/Output_data_BOX_0_restart.psf'.format(previous_gomc_rel_path) - ) + new_gomc_data = new_gomc_data.replace( + "pdb_file_box_0_file", + "{}/Output_data_BOX_0_restart.pdb".format(previous_gomc_rel_path), + ) + new_gomc_data = new_gomc_data.replace( + "psf_file_box_0_file", + "{}/Output_data_BOX_0_restart.psf".format(previous_gomc_rel_path), + ) # Read the angles from the intial/starting PDB file namd_xsc_box_0_file = "{}/namdOut.restart.xsc".format(namd_box_0_newdir) - read_namd_xsc_box_0_file = open(namd_xsc_box_0_file, 'r').readlines() + read_namd_xsc_box_0_file = open(namd_xsc_box_0_file, "r").readlines() read_x_dim_box_0 = read_namd_xsc_box_0_file[-1].split()[1:2] read_x_dim_box_0 = float(read_x_dim_box_0[0]) @@ -1515,24 +2020,43 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run new_gomc_data = new_gomc_data.replace("z_dim_box_0", str(read_z_dim_box_0)) if simulation_type in ["GEMC", "GCMC"]: - readlines_gomc_template_file = open("{}/{}".format(str(python_file_directory), - path_gomc_template), 'r').readlines() - if simulation_type in ["GCMC"] or (simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is True): + readlines_gomc_template_file = open( + "{}/{}".format(str(python_file_directory), path_gomc_template), "r" + ).readlines() + if simulation_type in ["GCMC"] or ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is True + ): if previous_gomc_dir == "NA": for i, line in enumerate(readlines_gomc_template_file): split_line = line.split() - if line.startswith('binCoordinates') is True or line.startswith('extendedSystem') is True \ - or line.startswith('binVelocities') : - if split_line[0] == 'binCoordinates' and split_line[1] == '1': - new_gomc_data = new_gomc_data.replace(line, '') - elif split_line[0] == 'extendedSystem' and split_line[1] == '1': - new_gomc_data = new_gomc_data.replace(line, '') - elif split_line[0] == 'binVelocities' and split_line[1] == '1': - new_gomc_data = new_gomc_data.replace(line, '') - - read_pdb_file = open("{}/{}".format(str(python_file_directory), - starting_pdb_box_1_file), - 'r').readlines() + if ( + line.startswith("binCoordinates") is True + or line.startswith("extendedSystem") is True + or line.startswith("binVelocities") + ): + if ( + split_line[0] == "binCoordinates" + and split_line[1] == "1" + ): + new_gomc_data = new_gomc_data.replace(line, "") + elif ( + split_line[0] == "extendedSystem" + and split_line[1] == "1" + ): + new_gomc_data = new_gomc_data.replace(line, "") + elif ( + split_line[0] == "binVelocities" + and split_line[1] == "1" + ): + new_gomc_data = new_gomc_data.replace(line, "") + + read_pdb_file = open( + "{}/{}".format( + str(python_file_directory), starting_pdb_box_1_file + ), + "r", + ).readlines() read_x_dim_box_1 = None read_y_dim_box_1 = None @@ -1542,7 +2066,7 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run read_angle_gamma = None # Read the angles from the intial/starting PDB file for i, line in enumerate(read_pdb_file): - if 'CRYST1' in line: + if "CRYST1" in line: read_x_dim_box_1 = read_pdb_file[i].split()[1:2] read_x_dim_box_1 = float(read_x_dim_box_1[0]) read_x_dim_box_1_origin = read_x_dim_box_1 / 2 @@ -1560,66 +2084,129 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run read_angle_gamma = read_pdb_file[i].split()[6:7] read_angle_gamma = read_angle_gamma[0] - gomc_used_x_dim = check_for_pdb_dims_and_override("x", run_no, read_x_dim_box_1, - set_dim=set_dims_box_1_list[0], - only_on_run_no=1) - gomc_used_y_dim = check_for_pdb_dims_and_override("y", run_no, read_y_dim_box_1, - set_dim=set_dims_box_1_list[1], - only_on_run_no=1) - gomc_used_z_dim = check_for_pdb_dims_and_override("z", run_no, read_z_dim_box_1, - set_dim=set_dims_box_1_list[2], - only_on_run_no=1) - - new_gomc_data = new_gomc_data.replace("x_dim_box_1", str(gomc_used_x_dim)) - new_gomc_data = new_gomc_data.replace("y_dim_box_1", str(gomc_used_y_dim)) - new_gomc_data = new_gomc_data.replace("z_dim_box_1", str(gomc_used_z_dim)) + gomc_used_x_dim = check_for_pdb_dims_and_override( + "x", + run_no, + read_x_dim_box_1, + set_dim=set_dims_box_1_list[0], + only_on_run_no=1, + ) + gomc_used_y_dim = check_for_pdb_dims_and_override( + "y", + run_no, + read_y_dim_box_1, + set_dim=set_dims_box_1_list[1], + only_on_run_no=1, + ) + gomc_used_z_dim = check_for_pdb_dims_and_override( + "z", + run_no, + read_z_dim_box_1, + set_dim=set_dims_box_1_list[2], + only_on_run_no=1, + ) + + new_gomc_data = new_gomc_data.replace( + "x_dim_box_1", str(gomc_used_x_dim) + ) + new_gomc_data = new_gomc_data.replace( + "y_dim_box_1", str(gomc_used_y_dim) + ) + new_gomc_data = new_gomc_data.replace( + "z_dim_box_1", str(gomc_used_z_dim) + ) else: - new_gomc_data = new_gomc_data.replace("coor_box_1_file", - "{}/Output_data_BOX_1_restart.coor".format(previous_gomc_rel_path) - ) - new_gomc_data = new_gomc_data.replace("xsc_box_1_file", - "{}/Output_data_BOX_1_restart.xsc".format(previous_gomc_rel_path) - ) - new_gomc_data = new_gomc_data.replace("vel_box_1_file", - "{}/Output_data_BOX_1_restart.vel".format(previous_gomc_rel_path) - ) - - previous_gomc_xsc_box_1_file = "{}/Output_data_BOX_1_restart.xsc".format(previous_gomc_dir) - read_previous_gomc_xsc_box_1_file = open(previous_gomc_xsc_box_1_file, 'r').readlines() - - read_x_dim_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[1:2] + new_gomc_data = new_gomc_data.replace( + "coor_box_1_file", + "{}/Output_data_BOX_1_restart.coor".format( + previous_gomc_rel_path + ), + ) + new_gomc_data = new_gomc_data.replace( + "xsc_box_1_file", + "{}/Output_data_BOX_1_restart.xsc".format( + previous_gomc_rel_path + ), + ) + new_gomc_data = new_gomc_data.replace( + "vel_box_1_file", + "{}/Output_data_BOX_1_restart.vel".format( + previous_gomc_rel_path + ), + ) + + previous_gomc_xsc_box_1_file = ( + "{}/Output_data_BOX_1_restart.xsc".format(previous_gomc_dir) + ) + read_previous_gomc_xsc_box_1_file = open( + previous_gomc_xsc_box_1_file, "r" + ).readlines() + + read_x_dim_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[1:2] read_x_dim_box_1 = float(read_x_dim_box_1[0]) - read_y_dim_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[5:6] + read_y_dim_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[5:6] read_y_dim_box_1 = float(read_y_dim_box_1[0]) - read_z_dim_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[9:10] + read_z_dim_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[9:10] read_z_dim_box_1 = float(read_z_dim_box_1[0]) - read_x_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[10:11] + read_x_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[10:11] read_x_dim_origin_box_1 = float(read_x_dim_origin_box_1[0]) - read_y_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[11:12] + read_y_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[11:12] read_y_dim_origin_box_1 = float(read_y_dim_origin_box_1[0]) - read_z_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[-1].split()[12:13] + read_z_dim_origin_box_1 = read_previous_gomc_xsc_box_1_file[ + -1 + ].split()[12:13] read_z_dim_origin_box_1 = float(read_z_dim_origin_box_1[0]) - new_gomc_data = new_gomc_data.replace("x_dim_box_1", str(read_x_dim_box_1)) - new_gomc_data = new_gomc_data.replace("y_dim_box_1", str(read_y_dim_box_1)) - new_gomc_data = new_gomc_data.replace("z_dim_box_1", str(read_z_dim_box_1)) - - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_xsc_box_1_file = "{}/namdOut.restart.xsc".format(namd_box_1_newdir) - read_namd_xsc_box_1_file = open(namd_xsc_box_1_file, 'r').readlines() - - previous_namd_box_1_rel_path = os.path.relpath(namd_box_1_newdir, gomc_newdir) - new_gomc_data = new_gomc_data.replace("coor_box_1_file", - '{}/namdOut.restart.coor'.format(previous_namd_box_1_rel_path) - ) - new_gomc_data = new_gomc_data.replace("xsc_box_1_file", '{}/namdOut.restart.xsc' - ''.format(previous_namd_box_1_rel_path) - ) - new_gomc_data = new_gomc_data.replace("vel_box_1_file", '{}/namdOut.restart.vel' - ''.format(previous_namd_box_1_rel_path) - ) + new_gomc_data = new_gomc_data.replace( + "x_dim_box_1", str(read_x_dim_box_1) + ) + new_gomc_data = new_gomc_data.replace( + "y_dim_box_1", str(read_y_dim_box_1) + ) + new_gomc_data = new_gomc_data.replace( + "z_dim_box_1", str(read_z_dim_box_1) + ) + + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_xsc_box_1_file = "{}/namdOut.restart.xsc".format( + namd_box_1_newdir + ) + read_namd_xsc_box_1_file = open( + namd_xsc_box_1_file, "r" + ).readlines() + + previous_namd_box_1_rel_path = os.path.relpath( + namd_box_1_newdir, gomc_newdir + ) + new_gomc_data = new_gomc_data.replace( + "coor_box_1_file", + "{}/namdOut.restart.coor".format(previous_namd_box_1_rel_path), + ) + new_gomc_data = new_gomc_data.replace( + "xsc_box_1_file", + "{}/namdOut.restart.xsc" + "".format(previous_namd_box_1_rel_path), + ) + new_gomc_data = new_gomc_data.replace( + "vel_box_1_file", + "{}/namdOut.restart.vel" + "".format(previous_namd_box_1_rel_path), + ) read_x_dim_box_1 = read_namd_xsc_box_1_file[-1].split()[1:2] read_x_dim_box_1 = float(read_x_dim_box_1[0]) @@ -1628,68 +2215,115 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run read_z_dim_box_1 = read_namd_xsc_box_1_file[-1].split()[9:10] read_z_dim_box_1 = float(read_z_dim_box_1[0]) - read_x_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[10:11] + read_x_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[ + 10:11 + ] read_x_dim_origin_box_1 = float(read_x_dim_origin_box_1[0]) - read_y_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[11:12] + read_y_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[ + 11:12 + ] read_y_dim_origin_box_1 = float(read_y_dim_origin_box_1[0]) - read_z_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[12:13] + read_z_dim_origin_box_1 = read_namd_xsc_box_1_file[-1].split()[ + 12:13 + ] read_z_dim_origin_box_1 = float(read_z_dim_origin_box_1[0]) - new_gomc_data = new_gomc_data.replace("x_dim_box_1", str(read_x_dim_box_1)) - new_gomc_data = new_gomc_data.replace("y_dim_box_1", str(read_y_dim_box_1)) - new_gomc_data = new_gomc_data.replace("z_dim_box_1", str(read_z_dim_box_1)) + new_gomc_data = new_gomc_data.replace( + "x_dim_box_1", str(read_x_dim_box_1) + ) + new_gomc_data = new_gomc_data.replace( + "y_dim_box_1", str(read_y_dim_box_1) + ) + new_gomc_data = new_gomc_data.replace( + "z_dim_box_1", str(read_z_dim_box_1) + ) if simulation_type in ["GEMC", "GCMC"]: if simulation_type in ["GCMC"] and previous_gomc_dir == "NA": - new_gomc_data = new_gomc_data.replace("restart_true_or_false", 'false') - elif simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is True and previous_gomc_dir == "NA": - new_gomc_data = new_gomc_data.replace("restart_true_or_false", 'false') + new_gomc_data = new_gomc_data.replace( + "restart_true_or_false", "false" + ) + elif ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is True + and previous_gomc_dir == "NA" + ): + new_gomc_data = new_gomc_data.replace( + "restart_true_or_false", "false" + ) else: - new_gomc_data = new_gomc_data.replace("restart_true_or_false", 'true') + new_gomc_data = new_gomc_data.replace( + "restart_true_or_false", "true" + ) else: - new_gomc_data = new_gomc_data.replace("restart_true_or_false", 'true') - - new_gomc_data = new_gomc_data.replace("GOMC_Run_Steps", str((int(gomc_run_steps)))) - new_gomc_data = new_gomc_data.replace("GOMC_RST_Coor_CKpoint_Steps", - str((int(gomc_rst_coor_ckpoint_steps)))) - new_gomc_data = new_gomc_data.replace("GOMC_console_BLKavg_Hist_Steps", - str((int(gomc_console_blkavg_hist_steps)))) - new_gomc_data = new_gomc_data.replace("GOMC_Hist_sample_Steps", str(gomc_hist_sample_steps)) - new_gomc_data = new_gomc_data.replace("System_temp_set", str(simulation_temp_k)) - new_gomc_data = new_gomc_data.replace("System_press_set", str(simulation_pressure_bar)) + new_gomc_data = new_gomc_data.replace("restart_true_or_false", "true") + + new_gomc_data = new_gomc_data.replace( + "GOMC_Run_Steps", str((int(gomc_run_steps))) + ) + new_gomc_data = new_gomc_data.replace( + "GOMC_RST_Coor_CKpoint_Steps", str((int(gomc_rst_coor_ckpoint_steps))) + ) + new_gomc_data = new_gomc_data.replace( + "GOMC_console_BLKavg_Hist_Steps", + str((int(gomc_console_blkavg_hist_steps))), + ) + new_gomc_data = new_gomc_data.replace( + "GOMC_Hist_sample_Steps", str(gomc_hist_sample_steps) + ) + new_gomc_data = new_gomc_data.replace( + "System_temp_set", str(simulation_temp_k) + ) + new_gomc_data = new_gomc_data.replace( + "System_press_set", str(simulation_pressure_bar) + ) # add the Chempot or fugacity data for the GOMC control file if simulation_type in ["GCMC"]: if GCMC_ChemPot_or_Fugacity is None: - new_gomc_data = new_gomc_data.replace("mu_ChemPot_K_or_P_Fugacitiy_bar_all", str('')) + new_gomc_data = new_gomc_data.replace( + "mu_ChemPot_K_or_P_Fugacitiy_bar_all", str("") + ) - elif GCMC_ChemPot_or_Fugacity == 'ChemPot': - print('GOMC GCMC simulation is using {} --> Residues and values = {}'.format(GCMC_ChemPot_or_Fugacity, - GCMC_ChemPot_or_Fugacity_dict) - ) + elif GCMC_ChemPot_or_Fugacity == "ChemPot": + print( + "GOMC GCMC simulation is using {} --> Residues and values = {}".format( + GCMC_ChemPot_or_Fugacity, GCMC_ChemPot_or_Fugacity_dict + ) + ) chempot_conf_data = "" for GCMC_keys_i in GCMC_ChemPot_or_Fugacity_dict_keys: - chempot_conf_data = chempot_conf_data + "ChemPot \t {} \t {}" \ - "\n".format(GCMC_keys_i, - GCMC_ChemPot_or_Fugacity_dict[GCMC_keys_i] - ) - - new_gomc_data = new_gomc_data.replace("mu_ChemPot_K_or_P_Fugacitiy_bar_all", str(chempot_conf_data)) - - elif GCMC_ChemPot_or_Fugacity == 'Fugacity': - print('GOMC GCMC simulation is using {} --> Residues and values = {}'.format(GCMC_ChemPot_or_Fugacity, - GCMC_ChemPot_or_Fugacity_dict) - ) + chempot_conf_data = ( + chempot_conf_data + "ChemPot \t {} \t {}" + "\n".format( + GCMC_keys_i, GCMC_ChemPot_or_Fugacity_dict[GCMC_keys_i] + ) + ) + + new_gomc_data = new_gomc_data.replace( + "mu_ChemPot_K_or_P_Fugacitiy_bar_all", str(chempot_conf_data) + ) + + elif GCMC_ChemPot_or_Fugacity == "Fugacity": + print( + "GOMC GCMC simulation is using {} --> Residues and values = {}".format( + GCMC_ChemPot_or_Fugacity, GCMC_ChemPot_or_Fugacity_dict + ) + ) fugacity_conf_data = "" for GCMC_keys_i in GCMC_ChemPot_or_Fugacity_dict_keys: - fugacity_conf_data = fugacity_conf_data + "Fugacity \t {} \t {}" \ - "\n".format(GCMC_keys_i, - GCMC_ChemPot_or_Fugacity_dict[GCMC_keys_i] - ) + fugacity_conf_data = ( + fugacity_conf_data + "Fugacity \t {} \t {}" + "\n".format( + GCMC_keys_i, GCMC_ChemPot_or_Fugacity_dict[GCMC_keys_i] + ) + ) - new_gomc_data = new_gomc_data.replace("mu_ChemPot_K_or_P_Fugacitiy_bar_all", str(fugacity_conf_data)) + new_gomc_data = new_gomc_data.replace( + "mu_ChemPot_K_or_P_Fugacitiy_bar_all", str(fugacity_conf_data) + ) else: write_log_data = "Warning: There is in error in the chemical potential settings for GCMC simulation. \n" @@ -1697,71 +2331,105 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run print(str(write_log_data)) warn(str(write_log_data)) - set_max_steps_equib_adj = 10 * 10 ** 6 + set_max_steps_equib_adj = 10 * 10**6 if gomc_run_steps >= set_max_steps_equib_adj: - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int((set_max_steps_equib_adj / 10)))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int((set_max_steps_equib_adj / 10))) + ) if gomc_run_steps / 10 >= 1000: - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(1000))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int(1000)) + ) else: - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(gomc_run_steps / 10))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int(gomc_run_steps / 10)) + ) elif int(gomc_run_steps / 10) > 0: # make equal to 1000 until the restart true can be enabled - new_gomc_data = new_gomc_data.replace("GOMC_Equilb_Steps", str((int(gomc_run_steps / 10)))) - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(gomc_run_steps / 10))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Equilb_Steps", str((int(gomc_run_steps / 10))) + ) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int(gomc_run_steps / 10)) + ) if gomc_run_steps / 10 >= 1000: - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(1000))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int(1000)) + ) else: - new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(gomc_run_steps / 10))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Adj_Steps", str(int(gomc_run_steps / 10)) + ) else: # make equal to 1000 until the restart true can be enabled new_gomc_data = new_gomc_data.replace("GOMC_Adj_Steps", str(int(1))) - new_gomc_data = new_gomc_data.replace("GOMC_Equilb_Steps", str((int(1)))) + new_gomc_data = new_gomc_data.replace( + "GOMC_Equilb_Steps", str((int(1))) + ) if simulation_type in ["GEMC", "GCMC"]: - if previous_gomc_dir == 'NA': + if previous_gomc_dir == "NA": # marked as "Restart_Checkpoint_file", 'false' for now until checkpoint is setup - new_gomc_data = new_gomc_data.replace("Restart_Checkpoint_file", - "false {}" - "".format("Output_data_restart.chk")) - - gomc_starting_pdb_rel_path_box_1 = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_pdb_box_1_file), - gomc_newdir) - new_gomc_data = new_gomc_data.replace("pdb_file_box_1_file", - '{}'.format(gomc_starting_pdb_rel_path_box_1) - ) - - gomc_starting_psf_rel_path_box_1 = os.path.relpath("{}/{}".format(str(python_file_directory), - starting_psf_box_1_file), - gomc_newdir) - new_gomc_data = new_gomc_data.replace("psf_file_box_1_file", - '{}'.format(gomc_starting_psf_rel_path_box_1) - ) + new_gomc_data = new_gomc_data.replace( + "Restart_Checkpoint_file", + "false {}" "".format("Output_data_restart.chk"), + ) + + gomc_starting_pdb_rel_path_box_1 = os.path.relpath( + "{}/{}".format( + str(python_file_directory), starting_pdb_box_1_file + ), + gomc_newdir, + ) + new_gomc_data = new_gomc_data.replace( + "pdb_file_box_1_file", + "{}".format(gomc_starting_pdb_rel_path_box_1), + ) + + gomc_starting_psf_rel_path_box_1 = os.path.relpath( + "{}/{}".format( + str(python_file_directory), starting_psf_box_1_file + ), + gomc_newdir, + ) + new_gomc_data = new_gomc_data.replace( + "psf_file_box_1_file", + "{}".format(gomc_starting_psf_rel_path_box_1), + ) else: - new_gomc_data = new_gomc_data.replace("pdb_file_box_1_file", - "{}/Output_data_BOX_1_restart.pdb".format(previous_gomc_rel_path) - ) - new_gomc_data = new_gomc_data.replace("psf_file_box_1_file", - "{}/Output_data_BOX_1_restart.psf".format(previous_gomc_rel_path) - ) + new_gomc_data = new_gomc_data.replace( + "pdb_file_box_1_file", + "{}/Output_data_BOX_1_restart.pdb".format( + previous_gomc_rel_path + ), + ) + new_gomc_data = new_gomc_data.replace( + "psf_file_box_1_file", + "{}/Output_data_BOX_1_restart.psf".format( + previous_gomc_rel_path + ), + ) else: - if previous_gomc_dir == 'NA': + if previous_gomc_dir == "NA": # marked as "Restart_Checkpoint_file", 'false' for now until checkpoint is setup - new_gomc_data = new_gomc_data.replace("Restart_Checkpoint_file", - "false {}" - "".format("Output_data_restart.chk")) + new_gomc_data = new_gomc_data.replace( + "Restart_Checkpoint_file", + "false {}" "".format("Output_data_restart.chk"), + ) # make checkpoint true and restart - if previous_gomc_dir != 'NA': - new_gomc_data = new_gomc_data.replace("Restart_Checkpoint_file", - "true {}/{}" - "".format(str(previous_gomc_rel_path), "Output_data_restart.chk")) + if previous_gomc_dir != "NA": + new_gomc_data = new_gomc_data.replace( + "Restart_Checkpoint_file", + "true {}/{}" + "".format(str(previous_gomc_rel_path), "Output_data_restart.chk"), + ) generate_gomc_file.write(new_gomc_data) generate_gomc_file.close() @@ -1771,74 +2439,99 @@ def write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run def get_gomc_energy_data(read_gomc_box_x_log_file, box_number): """ - Generated the energy and system file data for specified - box number. GOMC energy units are in kcal/mol. + Generated the energy and system file data for specified + box number. GOMC energy units are in kcal/mol. - Parameters - ---------- - read_gomc_box_x_log_file : str - The path/filename of the GOMC log file. - box_number : int - The simulation box number, which can only be 0 or 1 + Parameters + ---------- + read_gomc_box_x_log_file : str + The path/filename of the GOMC log file. + box_number : int + The simulation box number, which can only be 0 or 1 - Returns - --------- - gomc_energy_data_box_x_df : pandas.dataframe - The GOMC log file data in a pandas.dataframe + Returns + --------- + gomc_energy_data_box_x_df : pandas.dataframe + The GOMC log file data in a pandas.dataframe - Notes - --------- - GOMC energy units are in K - """ + Notes + --------- + GOMC energy units are in K + """ get_e_titles = True get_v_p_totmol_rho_titles = True e_values_gomc_list = [] v_p_totmol_rho_values_list = [] for i, line in enumerate(read_gomc_box_x_log_file): - if line.startswith('ETITLE:') is True and get_e_titles is True: + if line.startswith("ETITLE:") is True and get_e_titles is True: e_titles_gomc_iteration = read_gomc_box_x_log_file[i] e_titles_gomc_iteration = e_titles_gomc_iteration.split() e_titles_gomc_iteration = e_titles_gomc_iteration[:] if get_e_titles is True: get_e_titles = False - if line.startswith('ENER_' + str(box_number) + ':') is True: + if line.startswith("ENER_" + str(box_number) + ":") is True: e_values_gomc_iteration_list = [] e_values_gomc_iteration = read_gomc_box_x_log_file[i] e_values_gomc_iteration = e_values_gomc_iteration.split() for j in range(0, len(e_values_gomc_iteration)): - if e_titles_gomc_iteration[j] == 'ETITLE:': - e_values_gomc_iteration_list.append(e_values_gomc_iteration[j]) - elif e_titles_gomc_iteration[j] == 'STEP': - e_values_gomc_iteration_list.append(int(int(e_values_gomc_iteration[j]) + current_step)) + if e_titles_gomc_iteration[j] == "ETITLE:": + e_values_gomc_iteration_list.append( + e_values_gomc_iteration[j] + ) + elif e_titles_gomc_iteration[j] == "STEP": + e_values_gomc_iteration_list.append( + int(int(e_values_gomc_iteration[j]) + current_step) + ) else: - e_values_gomc_iteration_list.append(float(e_values_gomc_iteration[j]) * K_to_kcal_mol) + e_values_gomc_iteration_list.append( + float(e_values_gomc_iteration[j]) * K_to_kcal_mol + ) e_values_gomc_list.append(e_values_gomc_iteration_list) - if line.startswith('STITLE:') is True and get_v_p_totmol_rho_titles is True: + if ( + line.startswith("STITLE:") is True + and get_v_p_totmol_rho_titles is True + ): v_p_totmol_rho_titles_iteration = read_gomc_box_x_log_file[i] - v_p_totmol_rho_titles_iteration = v_p_totmol_rho_titles_iteration.split() + v_p_totmol_rho_titles_iteration = ( + v_p_totmol_rho_titles_iteration.split() + ) v_p_totmol_rho_titles_iteration = v_p_totmol_rho_titles_iteration[:] if get_v_p_totmol_rho_titles is True: get_v_p_totmol_rho_titles = False - if line.startswith('STAT_' + str(box_number) + ':') is True: + if line.startswith("STAT_" + str(box_number) + ":") is True: v_p_totmol_rho_values_iteration_list = [] v_p_totmol_rho_values_iteration = read_gomc_box_x_log_file[i] - v_p_totmol_rho_values_iteration = v_p_totmol_rho_values_iteration.split() + v_p_totmol_rho_values_iteration = ( + v_p_totmol_rho_values_iteration.split() + ) for j in range(0, len(v_p_totmol_rho_values_iteration)): - if v_p_totmol_rho_titles_iteration[j] == 'STITLE:': - v_p_totmol_rho_values_iteration_list.append(v_p_totmol_rho_values_iteration[j]) - elif v_p_totmol_rho_titles_iteration[j] == 'STEP': - v_p_totmol_rho_values_iteration_list.append(int(int(v_p_totmol_rho_values_iteration[j]) - + current_step)) + if v_p_totmol_rho_titles_iteration[j] == "STITLE:": + v_p_totmol_rho_values_iteration_list.append( + v_p_totmol_rho_values_iteration[j] + ) + elif v_p_totmol_rho_titles_iteration[j] == "STEP": + v_p_totmol_rho_values_iteration_list.append( + int( + int(v_p_totmol_rho_values_iteration[j]) + + current_step + ) + ) else: - v_p_totmol_rho_values_iteration_list.append(float(v_p_totmol_rho_values_iteration[j])) - v_p_totmol_rho_values_list.append(v_p_totmol_rho_values_iteration_list) + v_p_totmol_rho_values_iteration_list.append( + float(v_p_totmol_rho_values_iteration[j]) + ) + v_p_totmol_rho_values_list.append( + v_p_totmol_rho_values_iteration_list + ) - gomc_energy_data_box_x_df = pd.DataFrame(data=e_values_gomc_list, columns=e_titles_gomc_iteration) + gomc_energy_data_box_x_df = pd.DataFrame( + data=e_values_gomc_list, columns=e_titles_gomc_iteration + ) return gomc_energy_data_box_x_df @@ -1893,36 +2586,71 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): GOMC energy units are in kcal/mol """ - gomc_e_electro_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[:, 'TOTAL_ELECT'].tolist() - gomc_e_electro_box_x_initial_value_kcal_mol = float(gomc_e_electro_box_x_kcal_per_mol[0]) - gomc_e_electro_box_x_final_value_kcal_mol = float(gomc_e_electro_box_x_kcal_per_mol[-1]) - - gomc_e_potential_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[:, 'TOTAL'].tolist() - gomc_e_potential_box_x_initial_value_kcal_mol = float(gomc_e_potential_box_x_kcal_per_mol[0]) - gomc_e_potential_box_x_final_value_kcal_mol = float(gomc_e_potential_box_x_kcal_per_mol[-1]) - - gomc_e_intra_nb_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[:, 'INTRA(NB)'].tolist() - gomc_e_intra_nb_box_x_initial_value = float(gomc_e_intra_nb_box_x_kcal_per_mol[0]) - gomc_e_intra_nb_box_x_final_value = float(gomc_e_intra_nb_box_x_kcal_per_mol[-1]) - - gomc_e_inter_lj_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[:, 'INTER(LJ)'].tolist() - gomc_e_inter_lj_box_x_initial_value = float(gomc_e_inter_lj_box_x_kcal_per_mol[0]) - gomc_e_inter_lj_box_x_final_value = float(gomc_e_inter_lj_box_x_kcal_per_mol[-1]) + gomc_e_electro_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[ + :, "TOTAL_ELECT" + ].tolist() + gomc_e_electro_box_x_initial_value_kcal_mol = float( + gomc_e_electro_box_x_kcal_per_mol[0] + ) + gomc_e_electro_box_x_final_value_kcal_mol = float( + gomc_e_electro_box_x_kcal_per_mol[-1] + ) + + gomc_e_potential_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[ + :, "TOTAL" + ].tolist() + gomc_e_potential_box_x_initial_value_kcal_mol = float( + gomc_e_potential_box_x_kcal_per_mol[0] + ) + gomc_e_potential_box_x_final_value_kcal_mol = float( + gomc_e_potential_box_x_kcal_per_mol[-1] + ) + + gomc_e_intra_nb_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[ + :, "INTRA(NB)" + ].tolist() + gomc_e_intra_nb_box_x_initial_value = float( + gomc_e_intra_nb_box_x_kcal_per_mol[0] + ) + gomc_e_intra_nb_box_x_final_value = float( + gomc_e_intra_nb_box_x_kcal_per_mol[-1] + ) + + gomc_e_inter_lj_box_x_kcal_per_mol = gomc_energy_data_box_x_df.loc[ + :, "INTER(LJ)" + ].tolist() + gomc_e_inter_lj_box_x_initial_value = float( + gomc_e_inter_lj_box_x_kcal_per_mol[0] + ) + gomc_e_inter_lj_box_x_final_value = float( + gomc_e_inter_lj_box_x_kcal_per_mol[-1] + ) gomc_e_vdw_plus_elec_box_x_kcal_per_mol = [] for vwd_elec_i in range(0, len(gomc_e_intra_nb_box_x_kcal_per_mol)): - gomc_e_vdw_plus_elec_box_x_kcal_per_mol.append(float(gomc_e_intra_nb_box_x_kcal_per_mol[vwd_elec_i]) + - float(gomc_e_inter_lj_box_x_kcal_per_mol[vwd_elec_i]) - + float(gomc_e_electro_box_x_kcal_per_mol[vwd_elec_i])) - gomc_e_vdw_plus_elec_box_x_initial_value_kcal_mol = float(gomc_e_vdw_plus_elec_box_x_kcal_per_mol[0]) - gomc_e_vdw_plus_elec_box_x_final_value_kcal_mol = float(gomc_e_vdw_plus_elec_box_x_kcal_per_mol[-1]) - - return gomc_e_electro_box_x_kcal_per_mol, gomc_e_electro_box_x_initial_value_kcal_mol, \ - gomc_e_electro_box_x_final_value_kcal_mol, \ - gomc_e_potential_box_x_kcal_per_mol, gomc_e_potential_box_x_initial_value_kcal_mol, \ - gomc_e_potential_box_x_final_value_kcal_mol, \ - gomc_e_vdw_plus_elec_box_x_kcal_per_mol, gomc_e_vdw_plus_elec_box_x_initial_value_kcal_mol, \ - gomc_e_vdw_plus_elec_box_x_final_value_kcal_mol + gomc_e_vdw_plus_elec_box_x_kcal_per_mol.append( + float(gomc_e_intra_nb_box_x_kcal_per_mol[vwd_elec_i]) + + float(gomc_e_inter_lj_box_x_kcal_per_mol[vwd_elec_i]) + + float(gomc_e_electro_box_x_kcal_per_mol[vwd_elec_i]) + ) + gomc_e_vdw_plus_elec_box_x_initial_value_kcal_mol = float( + gomc_e_vdw_plus_elec_box_x_kcal_per_mol[0] + ) + gomc_e_vdw_plus_elec_box_x_final_value_kcal_mol = float( + gomc_e_vdw_plus_elec_box_x_kcal_per_mol[-1] + ) + + return ( + gomc_e_electro_box_x_kcal_per_mol, + gomc_e_electro_box_x_initial_value_kcal_mol, + gomc_e_electro_box_x_final_value_kcal_mol, + gomc_e_potential_box_x_kcal_per_mol, + gomc_e_potential_box_x_initial_value_kcal_mol, + gomc_e_potential_box_x_final_value_kcal_mol, + gomc_e_vdw_plus_elec_box_x_kcal_per_mol, + gomc_e_vdw_plus_elec_box_x_initial_value_kcal_mol, + gomc_e_vdw_plus_elec_box_x_final_value_kcal_mol, + ) for run_no in range(starting_sims_namd_gomc, total_sims_namd_gomc): @@ -1940,8 +2668,10 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): box_number_1 = 1 try: - print("current step = {} (negative (-) for minimize " - "steps)".format(str(int(current_step - namd_minimize_steps)))) + print( + "current step = {} (negative (-) for minimize " + "steps)".format(str(int(current_step - namd_minimize_steps))) + ) except: print("current step = NA (negative (-) for minimize steps)") @@ -1949,34 +2679,51 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # setting the past file name in a restart if run_no == starting_sims_namd_gomc and starting_sims_namd_gomc != 0: - add_zeros_at_start_run_no_str = calc_folder_zeros(int(starting_sims_namd_gomc - 2)) - namd_box_0_newdir = "{}/{}/{}{}_a".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_at_start_run_no_str), - str(int(starting_sims_namd_gomc - 2)) - ) - - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_box_1_newdir = "{}/{}/{}{}_b".format(str(python_file_directory), - path_namd_runs, - str(add_zeros_at_start_run_no_str), - str(int(starting_sims_namd_gomc - 2)) - ) - - add_zeros_at_start_run_no_str = calc_folder_zeros(int(starting_sims_namd_gomc - 1)) - gomc_newdir = "{}/{}/{}{}".format(str(python_file_directory), path_gomc_runs, - str(add_zeros_at_start_run_no_str), - str(int(starting_sims_namd_gomc - 1)) - ) + add_zeros_at_start_run_no_str = calc_folder_zeros( + int(starting_sims_namd_gomc - 2) + ) + namd_box_0_newdir = "{}/{}/{}{}_a".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_at_start_run_no_str), + str(int(starting_sims_namd_gomc - 2)), + ) + + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_box_1_newdir = "{}/{}/{}{}_b".format( + str(python_file_directory), + path_namd_runs, + str(add_zeros_at_start_run_no_str), + str(int(starting_sims_namd_gomc - 2)), + ) + + add_zeros_at_start_run_no_str = calc_folder_zeros( + int(starting_sims_namd_gomc - 1) + ) + gomc_newdir = "{}/{}/{}{}".format( + str(python_file_directory), + path_gomc_runs, + str(add_zeros_at_start_run_no_str), + str(int(starting_sims_namd_gomc - 1)), + ) # steps in number of cycles - current_step = (namd_run_steps + gomc_run_steps) * starting_at_cycle_namd_gomc_sims + namd_minimize_steps + current_step = ( + namd_run_steps + gomc_run_steps + ) * starting_at_cycle_namd_gomc_sims + namd_minimize_steps elif run_no == starting_sims_namd_gomc and starting_sims_namd_gomc == 0: current_step = 0 # Delete FFT info from NAMD if starting a new simulation (i.e., run_no at start of running == 0) - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False and run_no == 0: + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and run_no == 0 + ): delete_namd_run_0_fft_file(box_number_0) delete_namd_run_0_fft_file(box_number_1) @@ -1984,42 +2731,66 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): delete_namd_run_0_fft_file(box_number_0) # Get the NAMD_PME_GRID_DIMs upon restarting a simulation - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False and \ - (run_no == starting_sims_namd_gomc): - namd_x_pme_grid_box_0_dim, \ - namd_y_pme_grid_box_0_dim, \ - namd_z_pme_grid_box_0_dim, \ - namd_box_0_run_0_dir = get_namd_run_0_pme_dim(box_number_0) - namd_x_pme_grid_box_1_dim, \ - namd_y_pme_grid_box_1_dim, \ - namd_z_pme_grid_box_1_dim, \ - namd_box_1_run_0_dir = get_namd_run_0_pme_dim(box_number_1) - - elif starting_sims_namd_gomc == run_no and (run_no == starting_sims_namd_gomc): - namd_x_pme_grid_box_0_dim, \ - namd_y_pme_grid_box_0_dim, \ - namd_z_pme_grid_box_0_dim, \ - namd_box_0_run_0_dir = get_namd_run_0_pme_dim(box_number_0) - - write_log_data = "*************************************************\n" \ - "*************************************************\n" \ - "run_no = {} (START)\n" \ - "************************************************* \n".format(str(run_no)) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and (run_no == starting_sims_namd_gomc) + ): + ( + namd_x_pme_grid_box_0_dim, + namd_y_pme_grid_box_0_dim, + namd_z_pme_grid_box_0_dim, + namd_box_0_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_0) + ( + namd_x_pme_grid_box_1_dim, + namd_y_pme_grid_box_1_dim, + namd_z_pme_grid_box_1_dim, + namd_box_1_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_1) + + elif starting_sims_namd_gomc == run_no and ( + run_no == starting_sims_namd_gomc + ): + ( + namd_x_pme_grid_box_0_dim, + namd_y_pme_grid_box_0_dim, + namd_z_pme_grid_box_0_dim, + namd_box_0_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_0) + + write_log_data = ( + "*************************************************\n" + "*************************************************\n" + "run_no = {} (START)\n" + "************************************************* \n".format( + str(run_no) + ) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) if run_no != 0: - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False \ - and starting_sims_namd_gomc == run_no: - namd_box_0_run_0_fft_namd_filename,\ - namd_box_0_run_0_dir = get_namd_run_0_fft_filename(box_number_0) - - namd_box_1_run_0_fft_namd_filename,\ - namd_box_1_run_0_dir = get_namd_run_0_fft_filename(box_number_1) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and starting_sims_namd_gomc == run_no + ): + ( + namd_box_0_run_0_fft_namd_filename, + namd_box_0_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_0) + + ( + namd_box_1_run_0_fft_namd_filename, + namd_box_1_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_1) else: - namd_box_0_run_0_fft_namd_filename,\ - namd_box_0_run_0_dir = get_namd_run_0_fft_filename(box_number_0) + ( + namd_box_0_run_0_fft_namd_filename, + namd_box_0_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_0) # ************************************************* # ************************************************* # Simulation initial or restart setup (end) @@ -2031,7 +2802,9 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # RUN THE NAMD PORTION of the CODE (Start) # ************************************************* # ************************************************* - if run_no % 2 == 0: # NAMD's staring run. NAMD starts simulation series with energy minimization + if ( + run_no % 2 == 0 + ): # NAMD's staring run. NAMD starts simulation series with energy minimization # ************************************************* # build input file from template for box 0 (start) # ************************************************* @@ -2041,18 +2814,28 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): except: gomc_newdir = "NA" - namd_box_0_newdir = write_namd_conf_file(python_file_directory, path_namd_template, path_namd_runs, - gomc_newdir, run_no, box_number_0, namd_run_steps, - namd_minimize_steps, namd_rst_dcd_xst_steps, - namd_console_blkavg_e_and_p_steps, - simulation_temp_k, simulation_pressure_bar, - starting_pdb_box_0_file, starting_psf_box_0_file, - namd_x_pme_grid_box_0_dim, - namd_y_pme_grid_box_0_dim, - namd_z_pme_grid_box_0_dim, - set_x_dim=set_dims_box_0_list[0], - set_y_dim=set_dims_box_0_list[1], - set_z_dim=set_dims_box_0_list[2]) + namd_box_0_newdir = write_namd_conf_file( + python_file_directory, + path_namd_template, + path_namd_runs, + gomc_newdir, + run_no, + box_number_0, + namd_run_steps, + namd_minimize_steps, + namd_rst_dcd_xst_steps, + namd_console_blkavg_e_and_p_steps, + simulation_temp_k, + simulation_pressure_bar, + starting_pdb_box_0_file, + starting_psf_box_0_file, + namd_x_pme_grid_box_0_dim, + namd_y_pme_grid_box_0_dim, + namd_z_pme_grid_box_0_dim, + set_x_dim=set_dims_box_0_list[0], + set_y_dim=set_dims_box_0_list[1], + set_z_dim=set_dims_box_0_list[2], + ) # ************************************************* # build input file from template for box 0 (end) @@ -2061,21 +2844,34 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # ************************************************* # build input file from template for box 1 (start) # ************************************************* - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - - namd_box_1_newdir = write_namd_conf_file(python_file_directory, path_namd_template, path_namd_runs, - gomc_newdir, run_no, box_number_1, namd_run_steps, - namd_minimize_steps, namd_rst_dcd_xst_steps, - namd_console_blkavg_e_and_p_steps, - simulation_temp_k, simulation_pressure_bar, - starting_pdb_box_1_file, starting_psf_box_1_file, - namd_x_pme_grid_box_1_dim, - namd_y_pme_grid_box_1_dim, - namd_z_pme_grid_box_1_dim, - set_x_dim=set_dims_box_1_list[0], - set_y_dim=set_dims_box_1_list[1], - set_z_dim=set_dims_box_1_list[2], - fft_add_namd_ang_to_box_dim=0) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + + namd_box_1_newdir = write_namd_conf_file( + python_file_directory, + path_namd_template, + path_namd_runs, + gomc_newdir, + run_no, + box_number_1, + namd_run_steps, + namd_minimize_steps, + namd_rst_dcd_xst_steps, + namd_console_blkavg_e_and_p_steps, + simulation_temp_k, + simulation_pressure_bar, + starting_pdb_box_1_file, + starting_psf_box_1_file, + namd_x_pme_grid_box_1_dim, + namd_y_pme_grid_box_1_dim, + namd_z_pme_grid_box_1_dim, + set_x_dim=set_dims_box_1_list[0], + set_y_dim=set_dims_box_1_list[1], + set_z_dim=set_dims_box_1_list[2], + fft_add_namd_ang_to_box_dim=0, + ) # ************************************************* # build input file from template for box 1 (end) # ************************************************* @@ -2083,8 +2879,10 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # ************************************************* # Run the intitial NAMD simulations box 0 and 1 (start) # ************************************************* - write_log_data = "*************************************************\n" \ - "Running the initial NAMD simulations now. \n" + write_log_data = ( + "*************************************************\n" + "Running the initial NAMD simulations now. \n" + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -2092,100 +2890,158 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): if run_no != 0: # copy the FFT grid.txt file from the first NAMD simulation (i.e., Run 0) to the current dir # for box_0 - cp_namd_box_0_fft_run_0_new_dir_cmd = "ln -sf {}/{} {}".format(str(namd_box_0_run_0_dir), - str(namd_box_0_run_0_fft_namd_filename), - str(namd_box_0_newdir) - ) - - exec_namd_box_0_cp_fft_run_0_new_dir_cmd = subprocess.Popen(cp_namd_box_0_fft_run_0_new_dir_cmd, - shell=True, stderr=subprocess.STDOUT) - os.waitpid(exec_namd_box_0_cp_fft_run_0_new_dir_cmd.pid, os.WSTOPPED) - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: + cp_namd_box_0_fft_run_0_new_dir_cmd = "ln -sf {}/{} {}".format( + str(namd_box_0_run_0_dir), + str(namd_box_0_run_0_fft_namd_filename), + str(namd_box_0_newdir), + ) + + exec_namd_box_0_cp_fft_run_0_new_dir_cmd = subprocess.Popen( + cp_namd_box_0_fft_run_0_new_dir_cmd, + shell=True, + stderr=subprocess.STDOUT, + ) + os.waitpid( + exec_namd_box_0_cp_fft_run_0_new_dir_cmd.pid, os.WSTOPPED + ) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): # find the FFT grid.txt file from the first NAMD simulation (i.e., Run 0) and copy it to # to the current dir for box 0 if run_no != 0: # copy the FFT grid.txt file from the first NAMD simulation (i.e., Run 0) to the current dir # for box_0 and box_1 - cp_namd_box_1_fft_run_0_new_dir_cmd = "ln -sf {}/{} {}".format(str(namd_box_1_run_0_dir), - str(namd_box_1_run_0_fft_namd_filename), - str(namd_box_1_newdir) - ) - - exec_namd_box1_cp_fft_run_0_new_dir_cmd = subprocess.Popen(cp_namd_box_1_fft_run_0_new_dir_cmd, - shell=True, stderr=subprocess.STDOUT) - os.waitpid(exec_namd_box1_cp_fft_run_0_new_dir_cmd.pid, os.WSTOPPED) - + cp_namd_box_1_fft_run_0_new_dir_cmd = "ln -sf {}/{} {}".format( + str(namd_box_1_run_0_dir), + str(namd_box_1_run_0_fft_namd_filename), + str(namd_box_1_newdir), + ) + + exec_namd_box1_cp_fft_run_0_new_dir_cmd = subprocess.Popen( + cp_namd_box_1_fft_run_0_new_dir_cmd, + shell=True, + stderr=subprocess.STDOUT, + ) + os.waitpid( + exec_namd_box1_cp_fft_run_0_new_dir_cmd.pid, os.WSTOPPED + ) # run NAMD for box 0 - if simulation_type in ['GCMC', 'NVT', 'NPT'] or \ - (simulation_type in ['GEMC'] and only_use_box_0_for_namd_for_gemc is True) \ - or namd_sim_order == 'series': - run_box_0_command = "cd {} && {} +p{} in.conf > out.dat".format(str(namd_box_0_newdir), - str(namd_bin_file), - str(int(total_no_cores)) - ) - - elif simulation_type in ['GEMC'] and only_use_box_0_for_namd_for_gemc is False \ - and namd_sim_order == 'parallel': - run_box_0_command = "cd {} && {} +p{} in.conf > out.dat".format(str(namd_box_0_newdir), - str(namd_bin_file), - str(int(no_core_box_0)) - ) + if ( + simulation_type in ["GCMC", "NVT", "NPT"] + or ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is True + ) + or namd_sim_order == "series" + ): + run_box_0_command = "cd {} && {} +p{} in.conf > out.dat".format( + str(namd_box_0_newdir), + str(namd_bin_file), + str(int(total_no_cores)), + ) + + elif ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and namd_sim_order == "parallel" + ): + run_box_0_command = "cd {} && {} +p{} in.conf > out.dat".format( + str(namd_box_0_newdir), + str(namd_bin_file), + str(int(no_core_box_0)), + ) namd_box_0_exec_start_time = datetime.datetime.today() - exec_run_box_0_command = subprocess.Popen(run_box_0_command, shell=True, stderr=subprocess.STDOUT) + exec_run_box_0_command = subprocess.Popen( + run_box_0_command, shell=True, stderr=subprocess.STDOUT + ) - if namd_sim_order == 'series': - write_log_data = 'Waiting for initial NAMD simulation to finish. \n' + if namd_sim_order == "series": + write_log_data = "Waiting for initial NAMD simulation to finish. \n" log_template_file.write(str(write_log_data)) print(str(write_log_data)) - os.waitpid(exec_run_box_0_command.pid, os.WSTOPPED) # pauses python until box 0 sim done + os.waitpid( + exec_run_box_0_command.pid, os.WSTOPPED + ) # pauses python until box 0 sim done namd_box_0_exec_end_time = datetime.datetime.today() - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): # Run NAMD for box_1 - if namd_sim_order == 'series': - run_box_1_command = "cd {} && {} +p{} in.conf > out.dat".format(str(namd_box_1_newdir), - str(namd_bin_file), - str(int(total_no_cores)) - ) - elif namd_sim_order == 'parallel': - run_box_1_command = "cd {} && {} +p{} in.conf > out.dat".format(str(namd_box_1_newdir), - str(namd_bin_file), - str(int(no_core_box_1)) - ) + if namd_sim_order == "series": + run_box_1_command = "cd {} && {} +p{} in.conf > out.dat".format( + str(namd_box_1_newdir), + str(namd_bin_file), + str(int(total_no_cores)), + ) + elif namd_sim_order == "parallel": + run_box_1_command = "cd {} && {} +p{} in.conf > out.dat".format( + str(namd_box_1_newdir), + str(namd_bin_file), + str(int(no_core_box_1)), + ) namd_box_1_exec_start_time = datetime.datetime.today() - exec_run_box_1_command = subprocess.Popen(run_box_1_command, shell=True, stderr=subprocess.STDOUT) - if namd_sim_order == 'series': - os.waitpid(exec_run_box_1_command.pid, os.WSTOPPED) # pauses python until box 1 sim done + exec_run_box_1_command = subprocess.Popen( + run_box_1_command, shell=True, stderr=subprocess.STDOUT + ) + if namd_sim_order == "series": + os.waitpid( + exec_run_box_1_command.pid, os.WSTOPPED + ) # pauses python until box 1 sim done namd_box_1_exec_end_time = datetime.datetime.today() - if namd_sim_order == 'parallel': - write_log_data = 'Waiting for initial NAMD simulation to finish. \n' + if namd_sim_order == "parallel": + write_log_data = "Waiting for initial NAMD simulation to finish. \n" log_template_file.write(str(write_log_data)) print(str(write_log_data)) - os.waitpid(exec_run_box_0_command.pid, os.WSTOPPED) # pauses python until box 0 sim done + os.waitpid( + exec_run_box_0_command.pid, os.WSTOPPED + ) # pauses python until box 0 sim done namd_box_0_exec_end_time = datetime.datetime.today() - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - os.waitpid(exec_run_box_1_command.pid, os.WSTOPPED) # pauses python until box 1 sim done + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + os.waitpid( + exec_run_box_1_command.pid, os.WSTOPPED + ) # pauses python until box 1 sim done namd_box_1_exec_end_time = datetime.datetime.today() - namd_box_0_cycle_time_s = (namd_box_0_exec_end_time - namd_box_0_exec_start_time).total_seconds() - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - namd_box_1_cycle_time_s = (namd_box_1_exec_end_time - namd_box_1_exec_start_time).total_seconds() - if namd_sim_order == 'series': - max_namd_cycle_time_s = round(namd_box_0_cycle_time_s + namd_box_1_cycle_time_s, 6) - elif namd_sim_order == 'parallel': - max_namd_cycle_time_s = round(np.maximum(namd_box_0_cycle_time_s, namd_box_1_cycle_time_s), 6) + namd_box_0_cycle_time_s = ( + namd_box_0_exec_end_time - namd_box_0_exec_start_time + ).total_seconds() + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + namd_box_1_cycle_time_s = ( + namd_box_1_exec_end_time - namd_box_1_exec_start_time + ).total_seconds() + if namd_sim_order == "series": + max_namd_cycle_time_s = round( + namd_box_0_cycle_time_s + namd_box_1_cycle_time_s, 6 + ) + elif namd_sim_order == "parallel": + max_namd_cycle_time_s = round( + np.maximum( + namd_box_0_cycle_time_s, namd_box_1_cycle_time_s + ), + 6, + ) else: max_namd_cycle_time_s = round(namd_box_0_cycle_time_s, 6) - write_log_data = 'The NAMD simulation are finished. \n' + write_log_data = "The NAMD simulation are finished. \n" log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -2196,76 +3052,124 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # ***************************************************** # get final system energies for box 0 and 1 (start) # ***********************initial_Energies************** - read_namd_box_0_energy_file = open("{}/out.dat".format(str(namd_box_0_newdir)), 'r').readlines() + read_namd_box_0_energy_file = open( + "{}/out.dat".format(str(namd_box_0_newdir)), "r" + ).readlines() # note NAMD energy units in kcal/mol (no modifications required) # generate energy file data for box 0 - namd_e_electro_box_0, \ - namd_e_electro_box_0_initial_value, \ - namd_e_electro_box_0_final_value, \ - namd_e_potential_box_0, \ - namd_e_potential_box_0_initial_value, \ - namd_e_potential_box_0_final_value, \ - namd_e_vdw_plus_elec_box_0, \ - namd_e_vdw_plus_elec_box_0_initial_value, \ - namd_e_vdw_plus_elec_box_0_final_value = get_namd_energy_data(read_namd_box_0_energy_file, - default_namd_e_titles) + ( + namd_e_electro_box_0, + namd_e_electro_box_0_initial_value, + namd_e_electro_box_0_final_value, + namd_e_potential_box_0, + namd_e_potential_box_0_initial_value, + namd_e_potential_box_0_final_value, + namd_e_vdw_plus_elec_box_0, + namd_e_vdw_plus_elec_box_0_initial_value, + namd_e_vdw_plus_elec_box_0_final_value, + ) = get_namd_energy_data( + read_namd_box_0_energy_file, default_namd_e_titles + ) # note NAMD energy units in kcal/mol (no modifications required) # generate energy file data for box 1 - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - read_namd_box_1_energy_file = open("{}/out.dat".format(str(namd_box_1_newdir)), 'r').readlines() - - namd_e_electro_box_1, \ - namd_e_electro_box_1_initial_value, \ - namd_e_electro_box_1_final_value, \ - namd_e_potential_box_1, \ - namd_e_potential_box_1_initial_value, \ - namd_e_potential_box_1_final_value, \ - namd_e_vdw_plus_elec_box_1, \ - namd_e_vdw_plus_elec_box_1_initial_value, \ - namd_e_vdw_plus_elec_box_1_final_value = get_namd_energy_data(read_namd_box_1_energy_file, - default_namd_e_titles) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + read_namd_box_1_energy_file = open( + "{}/out.dat".format(str(namd_box_1_newdir)), "r" + ).readlines() + + ( + namd_e_electro_box_1, + namd_e_electro_box_1_initial_value, + namd_e_electro_box_1_final_value, + namd_e_potential_box_1, + namd_e_potential_box_1_initial_value, + namd_e_potential_box_1_final_value, + namd_e_vdw_plus_elec_box_1, + namd_e_vdw_plus_elec_box_1_initial_value, + namd_e_vdw_plus_elec_box_1_final_value, + ) = get_namd_energy_data( + read_namd_box_1_energy_file, default_namd_e_titles + ) if run_no != 0 and run_no != starting_sims_namd_gomc: # Compare the Last GOMC and first NAMD value to confirm the simulation data # VMD comparison between NAMD and GOMC data box 0 - compare_namd_gomc_energies(gomc_e_potential_box_0_final_value, - namd_e_potential_box_0_initial_value, - gomc_e_vdw_plus_elec_box_0_final_value, - namd_e_vdw_plus_elec_box_0_initial_value, - run_no, box_number_0) - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - compare_namd_gomc_energies(gomc_e_potential_box_1_final_value, - namd_e_potential_box_1_initial_value, - gomc_e_vdw_plus_elec_box_1_final_value, - namd_e_vdw_plus_elec_box_1_initial_value, - run_no, box_number_1) + compare_namd_gomc_energies( + gomc_e_potential_box_0_final_value, + namd_e_potential_box_0_initial_value, + gomc_e_vdw_plus_elec_box_0_final_value, + namd_e_vdw_plus_elec_box_0_initial_value, + run_no, + box_number_0, + ) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + compare_namd_gomc_energies( + gomc_e_potential_box_1_final_value, + namd_e_potential_box_1_initial_value, + gomc_e_vdw_plus_elec_box_1_final_value, + namd_e_vdw_plus_elec_box_1_initial_value, + run_no, + box_number_1, + ) # get the NAMD FFT file name to copy for future NAMD simulations if starting a new NAMD/GOMC simulation if run_no == 0: - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False \ - and starting_sims_namd_gomc == run_no: - namd_box_0_run_0_fft_namd_filename,\ - namd_box_0_run_0_dir = get_namd_run_0_fft_filename(box_number_0) - namd_box_1_run_0_fft_namd_filename,\ - namd_box_1_run_0_dir = get_namd_run_0_fft_filename(box_number_1) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and starting_sims_namd_gomc == run_no + ): + ( + namd_box_0_run_0_fft_namd_filename, + namd_box_0_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_0) + ( + namd_box_1_run_0_fft_namd_filename, + namd_box_1_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_1) else: - namd_box_0_run_0_fft_namd_filename, \ - namd_box_0_run_0_dir = get_namd_run_0_fft_filename(box_number_0) + ( + namd_box_0_run_0_fft_namd_filename, + namd_box_0_run_0_dir, + ) = get_namd_run_0_fft_filename(box_number_0) # Get the NAMD_PME_GRID_DIMs upon finishing a new simulation - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False and \ - (run_no == starting_sims_namd_gomc): - namd_x_pme_grid_box_0_dim, namd_y_pme_grid_box_0_dim, \ - namd_z_pme_grid_box_0_dim, namd_box_0_run_0_dir = get_namd_run_0_pme_dim(box_number_0) - namd_x_pme_grid_box_1_dim, namd_y_pme_grid_box_1_dim, \ - namd_z_pme_grid_box_1_dim, namd_box_1_run_0_dir = get_namd_run_0_pme_dim(box_number_1) - - elif starting_sims_namd_gomc == run_no and (run_no == starting_sims_namd_gomc): - namd_x_pme_grid_box_0_dim, namd_y_pme_grid_box_0_dim, \ - namd_z_pme_grid_box_0_dim, namd_box_0_run_0_dir = get_namd_run_0_pme_dim(box_number_0) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + and (run_no == starting_sims_namd_gomc) + ): + ( + namd_x_pme_grid_box_0_dim, + namd_y_pme_grid_box_0_dim, + namd_z_pme_grid_box_0_dim, + namd_box_0_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_0) + ( + namd_x_pme_grid_box_1_dim, + namd_y_pme_grid_box_1_dim, + namd_z_pme_grid_box_1_dim, + namd_box_1_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_1) + + elif starting_sims_namd_gomc == run_no and ( + run_no == starting_sims_namd_gomc + ): + ( + namd_x_pme_grid_box_0_dim, + namd_y_pme_grid_box_0_dim, + namd_z_pme_grid_box_0_dim, + namd_box_0_run_0_dir, + ) = get_namd_run_0_pme_dim(box_number_0) if run_no != 0: current_step += namd_run_steps @@ -2295,14 +3199,25 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): except: previous_gomc_dir = "NA" - gomc_newdir = write_gomc_conf_file(python_file_directory, path_gomc_runs, run_no, gomc_run_steps, - gomc_rst_coor_ckpoint_steps, gomc_console_blkavg_hist_steps, - gomc_hist_sample_steps, - simulation_temp_k, simulation_pressure_bar, - starting_pdb_box_0_file, starting_pdb_box_1_file, - starting_psf_box_0_file, starting_psf_box_1_file) - - write_log_data = "GOMC simulation data for simulation number {} is completed. \n".format(str(run_no)) + gomc_newdir = write_gomc_conf_file( + python_file_directory, + path_gomc_runs, + run_no, + gomc_run_steps, + gomc_rst_coor_ckpoint_steps, + gomc_console_blkavg_hist_steps, + gomc_hist_sample_steps, + simulation_temp_k, + simulation_pressure_bar, + starting_pdb_box_0_file, + starting_pdb_box_1_file, + starting_psf_box_0_file, + starting_psf_box_1_file, + ) + + write_log_data = "GOMC simulation data for simulation number {} is completed. \n".format( + str(run_no) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -2314,31 +3229,40 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # Copy file and Run the GOMC simulations (start) # ************************************************* - write_log_data = "*************************************************\n" \ - "Running the GOMC simulations now. \n" + write_log_data = ( + "*************************************************\n" + "Running the GOMC simulations now. \n" + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) - run_gomc_command = "cd {} && {} +p{} in.conf > out.dat".format(str(gomc_newdir), - str(gomc_bin_file), - str(int(total_no_cores)) - ) + run_gomc_command = "cd {} && {} +p{} in.conf > out.dat".format( + str(gomc_newdir), str(gomc_bin_file), str(int(total_no_cores)) + ) previous_namd_dir = datetime.datetime.today() - exec_gomc_run_command = subprocess.Popen(run_gomc_command, shell=True, stderr=subprocess.STDOUT) + exec_gomc_run_command = subprocess.Popen( + run_gomc_command, shell=True, stderr=subprocess.STDOUT + ) - write_log_data = 'Waiting for initial GOMC simulation to finish.' + write_log_data = "Waiting for initial GOMC simulation to finish." log_template_file.write(str(write_log_data)) print(str(write_log_data)) - os.waitpid(exec_gomc_run_command.pid, os.WSTOPPED) # pauses python until box 0 sim done + os.waitpid( + exec_gomc_run_command.pid, os.WSTOPPED + ) # pauses python until box 0 sim done gomc_exec_end_time = datetime.datetime.today() - gomc_cycle_time_s = round((gomc_exec_end_time - previous_namd_dir).total_seconds(), 6) + gomc_cycle_time_s = round( + (gomc_exec_end_time - previous_namd_dir).total_seconds(), 6 + ) - write_log_data = 'The GOMC simulation(s) are finished.' + write_log_data = "The GOMC simulation(s) are finished." log_template_file.write(str(write_log_data)) print(str(write_log_data)) - write_log_data = "Completed simulation in GOMC command\n" \ - "************************************************* \n" + write_log_data = ( + "Completed simulation in GOMC command\n" + "************************************************* \n" + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -2349,36 +3273,46 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # ******************************************************* # get final system energies for box 0 and 1 (start) # ***********************initial_Energies************** - read_gomc_log_file = open("{}/out.dat".format(str(gomc_newdir)), 'r').readlines() - gomc_energy_data_box_0_df = get_gomc_energy_data(read_gomc_log_file, box_number_0) + read_gomc_log_file = open( + "{}/out.dat".format(str(gomc_newdir)), "r" + ).readlines() + gomc_energy_data_box_0_df = get_gomc_energy_data( + read_gomc_log_file, box_number_0 + ) if simulation_type in ["GEMC", "GCMC"]: - gomc_energy_data_box_1_df = get_gomc_energy_data(read_gomc_log_file, box_number_1) + gomc_energy_data_box_1_df = get_gomc_energy_data( + read_gomc_log_file, box_number_1 + ) # retrieve energy data from the printed file for the first and last points for box 0 # extrated in units of kcal per mol - gomc_e_electro_box_0_kcal_per_mol, \ - gomc_e_electro_box_0_initial_value, \ - gomc_e_electro_box_0_final_value, \ - gomc_e_potential_box_0_kcal_per_mol, \ - gomc_e_potential_box_0_initial_value, \ - gomc_e_potential_box_0_final_value, \ - gomc_e_vdw_plus_elec_box_0_kcal_per_mol, \ - gomc_e_vdw_plus_elec_box_0_initial_value, \ - gomc_e_vdw_plus_elec_box_0_final_value = get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_0_df) + ( + gomc_e_electro_box_0_kcal_per_mol, + gomc_e_electro_box_0_initial_value, + gomc_e_electro_box_0_final_value, + gomc_e_potential_box_0_kcal_per_mol, + gomc_e_potential_box_0_initial_value, + gomc_e_potential_box_0_final_value, + gomc_e_vdw_plus_elec_box_0_kcal_per_mol, + gomc_e_vdw_plus_elec_box_0_initial_value, + gomc_e_vdw_plus_elec_box_0_final_value, + ) = get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_0_df) # retrieve energy data from the printed file for the first and last points for box 1s - if simulation_type in ["GEMC", "GCMC"]: + if simulation_type in ["GEMC", "GCMC"]: # extrated in units of kcal per mol - gomc_e_electro_box_1_kcal_per_mol, \ - gomc_e_electro_box_1_initial_value, \ - gomc_e_electro_box_1_final_value, \ - gomc_e_potential_box_1_kcal_per_mol, \ - gomc_e_potential_box_1_initial_value, \ - gomc_e_potential_box_1_final_value, \ - gomc_e_vdw_plus_elec_box_1_kcal_per_mol, \ - gomc_e_vdw_plus_elec_box_1_initial_value, \ - gomc_e_vdw_plus_elec_box_1_final_value = get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_1_df) + ( + gomc_e_electro_box_1_kcal_per_mol, + gomc_e_electro_box_1_initial_value, + gomc_e_electro_box_1_final_value, + gomc_e_potential_box_1_kcal_per_mol, + gomc_e_potential_box_1_initial_value, + gomc_e_potential_box_1_final_value, + gomc_e_vdw_plus_elec_box_1_kcal_per_mol, + gomc_e_vdw_plus_elec_box_1_initial_value, + gomc_e_vdw_plus_elec_box_1_final_value, + ) = get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_1_df) # ******************************************************* # get final system energies for box 0 and 1 (end) @@ -2386,30 +3320,45 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # Compare the Last NAMD and first GOMC value to confirm the simulation data # VMD comparison between NAMD and GOMC data box 0 - compare_namd_gomc_energies(namd_e_potential_box_0_final_value, - gomc_e_potential_box_0_initial_value, - namd_e_vdw_plus_elec_box_0_final_value, - gomc_e_vdw_plus_elec_box_0_initial_value, - run_no, box_number_0) - if simulation_type in ["GEMC"] and only_use_box_0_for_namd_for_gemc is False: - compare_namd_gomc_energies(namd_e_potential_box_1_final_value, - gomc_e_potential_box_1_initial_value, - namd_e_vdw_plus_elec_box_1_final_value, - gomc_e_vdw_plus_elec_box_1_initial_value, - run_no, box_number_1) + compare_namd_gomc_energies( + namd_e_potential_box_0_final_value, + gomc_e_potential_box_0_initial_value, + namd_e_vdw_plus_elec_box_0_final_value, + gomc_e_vdw_plus_elec_box_0_initial_value, + run_no, + box_number_0, + ) + if ( + simulation_type in ["GEMC"] + and only_use_box_0_for_namd_for_gemc is False + ): + compare_namd_gomc_energies( + namd_e_potential_box_1_final_value, + gomc_e_potential_box_1_initial_value, + namd_e_vdw_plus_elec_box_1_final_value, + gomc_e_vdw_plus_elec_box_1_initial_value, + run_no, + box_number_1, + ) current_step += gomc_run_steps # get the cycle end runtime. it can only be odd as the runs always ends with GOMC if run_no % 2 == 1: cycle_end_time = datetime.datetime.today() - cycle_run_time_s = round((cycle_end_time - cycle_start_time).total_seconds(), 6) - python_only_time_s = round(cycle_run_time_s - (max_namd_cycle_time_s + gomc_cycle_time_s), 6) + cycle_run_time_s = round( + (cycle_end_time - cycle_start_time).total_seconds(), 6 + ) + python_only_time_s = round( + cycle_run_time_s - (max_namd_cycle_time_s + gomc_cycle_time_s), 6 + ) # print the times stats for NAMD GOMC and total time header if run_no == starting_sims_namd_gomc + 1: - write_log_data = "*************************************************\n" \ - "TIME_STATS_TITLE:\t#Cycle_No\t\tNAMD_time_s\t\t" \ - "GOMC_time_s\t\tPython_time_s\t\tTotal_time_s\n" + write_log_data = ( + "*************************************************\n" + "TIME_STATS_TITLE:\t#Cycle_No\t\tNAMD_time_s\t\t" + "GOMC_time_s\t\tPython_time_s\t\tTotal_time_s\n" + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) @@ -2418,15 +3367,20 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # cycle number will start at zero cycle_no = int(run_no / 2) if run_no != starting_sims_namd_gomc + 1: - write_log_data = "*************************************************\n" + write_log_data = ( + "*************************************************\n" + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) - write_log_data = "TIME_STATS_DATA:\t{}\t\t{}\t\t{}\t\t{}\t\t{}\n".format(cycle_no, - max_namd_cycle_time_s, - gomc_cycle_time_s, - python_only_time_s, - cycle_run_time_s - ) + write_log_data = ( + "TIME_STATS_DATA:\t{}\t\t{}\t\t{}\t\t{}\t\t{}\n".format( + cycle_no, + max_namd_cycle_time_s, + gomc_cycle_time_s, + python_only_time_s, + cycle_run_time_s, + ) + ) log_template_file.write(write_log_data) print(write_log_data) # ************************************************* @@ -2435,23 +3389,26 @@ def get_gomc_energy_data_kcal_per_mol(gomc_energy_data_box_x_df): # ************************************************* # ************************************************* - write_log_data = "*************************************************\n" \ - "run_no = {} (End) \n".format(str(run_no)) + write_log_data = ( + "*************************************************\n" + "run_no = {} (End) \n".format(str(run_no)) + ) log_template_file.write(str(write_log_data)) print(str(write_log_data)) end_time = datetime.datetime.today() end_time_s = datetime.datetime.today() -total_time = (end_time - start_time) +total_time = end_time - start_time total_time_s = (end_time_s - start_time_s).total_seconds() -write_log_data = "*************************************************\n" \ - "date and time (end) = {} \n" \ - "total simulation time = {} \n" \ - "total simulation time (s) = {} \n" \ - "************************************************* \n".format(str(end_time), - str(total_time), - str(total_time_s) - ) +write_log_data = ( + "*************************************************\n" + "date and time (end) = {} \n" + "total simulation time = {} \n" + "total simulation time (s) = {} \n" + "************************************************* \n".format( + str(end_time), str(total_time), str(total_time_s) + ) +) log_template_file.write(str(write_log_data)) print(str(write_log_data))