From b7738e6c4dbfad57db5a3eccefd7835165b73b77 Mon Sep 17 00:00:00 2001 From: "John Chodera (MSKCC)" Date: Sat, 18 Oct 2014 23:49:39 -0400 Subject: [PATCH] Initial import. --- README.md | 15 +- setup.py | 71 + .../complex-min.sander.out | 4148 + .../complex-minimized.crd | 1313 + .../complex-testenergy.sander.out | 155 + .../T4-lysozyme-L99A-implicit/complex.crd | 1313 + .../T4-lysozyme-L99A-implicit/complex.pdb | 2625 + .../T4-lysozyme-L99A-implicit/complex.prmtop | 12155 + src/data/T4-lysozyme-L99A-implicit/leap.log | 907 + .../ligand-min.sander.out | 4153 + .../ligand-minimized.crd | 11 + .../ligand-testenergy.sander.out | 156 + src/data/T4-lysozyme-L99A-implicit/ligand.crd | 11 + .../T4-lysozyme-L99A-implicit/ligand.frcmod | 16 + .../T4-lysozyme-L99A-implicit/ligand.mol2 | 47 + src/data/T4-lysozyme-L99A-implicit/ligand.pdb | 21 + .../T4-lysozyme-L99A-implicit/ligand.prmtop | 175 + .../ligand.tripos.mol2 | 44 + src/data/T4-lysozyme-L99A-implicit/mdinfo | 6 + .../T4-lysozyme-L99A-implicit/min.sander.in | 8 + .../receptor-min.sander.out | 4148 + .../receptor-minimized.crd | 1304 + .../receptor-testenergy.sander.out | 154 + .../T4-lysozyme-L99A-implicit/receptor.crd | 1304 + .../T4-lysozyme-L99A-implicit/receptor.pdb | 2606 + .../T4-lysozyme-L99A-implicit/receptor.prmtop | 12077 + .../T4-lysozyme-L99A-implicit/setup.leap.in | 40 + .../T4-lysozyme-L99A-implicit/setup.leap.out | 124 + .../testenergy.sander.in | 10 + .../alanine-dipeptide.crd | 1138 + .../alanine-dipeptide.pdb | 3021 + .../alanine-dipeptide.prmtop | 4430 + src/data/alanine-dipeptide-explicit/leap.log | 408 + src/data/alanine-dipeptide-explicit/run.sh | 14 + .../alanine-dipeptide-explicit/setup.leap.in | 23 + src/data/alanine-dipeptide-gbsa/README | 1 + .../alanine-dipeptide.crd | 13 + .../alanine-dipeptide.pdb | 25 + .../alanine-dipeptide.prmtop | 223 + src/data/alanine-dipeptide-gbsa/leap.log | 378 + src/data/alanine-dipeptide-gbsa/run.sh | 14 + src/data/alanine-dipeptide-gbsa/setup.leap.in | 23 + src/data/amoeba/1AP4_14_wat.pdb | 31980 ++ src/data/amoeba/ion-in-water.pdb | 652 + src/data/methanol-box/README | 1 + src/data/methanol-box/methanol-box.crd | 378 + src/data/methanol-box/methanol-box.pdb | 875 + src/data/methanol-box/methanol-box.prmtop | 2078 + src/data/src-explicit/state.xml | 168130 +++++++++ src/data/src-explicit/system.xml | 262319 +++++++++++++++ src/data/src-implicit/implicit-refined.pdb | 4094 + src/data/trpzip2-explicit/README | 3 + src/data/trpzip2-explicit/trpzip2.crd | 11037 + src/data/trpzip2-explicit/trpzip2.prmtop | 15174 + src/data/waterbox/tip3p900.pdb | 2706 + src/data/waterbox/watbox216.crd | 327 + src/data/waterbox/watbox216.pdb | 866 + src/data/waterbox/watbox216.prmtop | 1324 + src/testsystems.py | 2922 + tests-nose/test_testsystems.py | 62 + 60 files changed, 563753 insertions(+), 3 deletions(-) create mode 100644 setup.py create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex-min.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex-minimized.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex-testenergy.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex.pdb create mode 100644 src/data/T4-lysozyme-L99A-implicit/complex.prmtop create mode 100644 src/data/T4-lysozyme-L99A-implicit/leap.log create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand-min.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand-minimized.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand-testenergy.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.frcmod create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.mol2 create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.pdb create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.prmtop create mode 100644 src/data/T4-lysozyme-L99A-implicit/ligand.tripos.mol2 create mode 100644 src/data/T4-lysozyme-L99A-implicit/mdinfo create mode 100644 src/data/T4-lysozyme-L99A-implicit/min.sander.in create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor-min.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor-minimized.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor-testenergy.sander.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor.crd create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor.pdb create mode 100644 src/data/T4-lysozyme-L99A-implicit/receptor.prmtop create mode 100644 src/data/T4-lysozyme-L99A-implicit/setup.leap.in create mode 100644 src/data/T4-lysozyme-L99A-implicit/setup.leap.out create mode 100644 src/data/T4-lysozyme-L99A-implicit/testenergy.sander.in create mode 100644 src/data/alanine-dipeptide-explicit/alanine-dipeptide.crd create mode 100644 src/data/alanine-dipeptide-explicit/alanine-dipeptide.pdb create mode 100644 src/data/alanine-dipeptide-explicit/alanine-dipeptide.prmtop create mode 100644 src/data/alanine-dipeptide-explicit/leap.log create mode 100755 src/data/alanine-dipeptide-explicit/run.sh create mode 100644 src/data/alanine-dipeptide-explicit/setup.leap.in create mode 100644 src/data/alanine-dipeptide-gbsa/README create mode 100644 src/data/alanine-dipeptide-gbsa/alanine-dipeptide.crd create mode 100644 src/data/alanine-dipeptide-gbsa/alanine-dipeptide.pdb create mode 100644 src/data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop create mode 100644 src/data/alanine-dipeptide-gbsa/leap.log create mode 100755 src/data/alanine-dipeptide-gbsa/run.sh create mode 100644 src/data/alanine-dipeptide-gbsa/setup.leap.in create mode 100644 src/data/amoeba/1AP4_14_wat.pdb create mode 100644 src/data/amoeba/ion-in-water.pdb create mode 100644 src/data/methanol-box/README create mode 100644 src/data/methanol-box/methanol-box.crd create mode 100644 src/data/methanol-box/methanol-box.pdb create mode 100644 src/data/methanol-box/methanol-box.prmtop create mode 100644 src/data/src-explicit/state.xml create mode 100644 src/data/src-explicit/system.xml create mode 100644 src/data/src-implicit/implicit-refined.pdb create mode 100644 src/data/trpzip2-explicit/README create mode 100644 src/data/trpzip2-explicit/trpzip2.crd create mode 100644 src/data/trpzip2-explicit/trpzip2.prmtop create mode 100644 src/data/waterbox/tip3p900.pdb create mode 100644 src/data/waterbox/watbox216.crd create mode 100644 src/data/waterbox/watbox216.pdb create mode 100644 src/data/waterbox/watbox216.prmtop create mode 100644 src/testsystems.py create mode 100644 tests-nose/test_testsystems.py diff --git a/README.md b/README.md index 4465ba211..63cef24bb 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,13 @@ -openmm-testsystems -================== +OpenMM Test Systems +=========== -Test systems for OpenMM +This repository contains a suite of molecular systems that can be used +for the testing of various molecular mechanics related software. The +idea is that this repository will host a number classes that generate +OpenMM objects for simulating the desired systems. + +These classes will also contain the member functions that calculate known +analytical properties of these systems, enabling the proper testing. + +Note: setup.py does not currently work. Also, the doctests must be run +from the testsystems directory. This will be fixed. diff --git a/setup.py b/setup.py new file mode 100644 index 000000000..6935f9ef6 --- /dev/null +++ b/setup.py @@ -0,0 +1,71 @@ +""" +Various test systems for OpenMM. + +""" + +from __future__ import print_function +DOCLINES = __doc__.split("\n") + +import os +import sys +import shutil +import tempfile +import subprocess +from distutils.ccompiler import new_compiler +from setuptools import setup, Extension + +import numpy +try: + from Cython.Distutils import build_ext + setup_kwargs = {'cmdclass': {'build_ext': build_ext}} + cython_extension = 'pyx' +except ImportError: + setup_kwargs = {} + cython_extension = 'c' + + + +########################## +VERSION = "0.1" +ISRELEASED = False +__version__ = VERSION +########################## + + +CLASSIFIERS = """\ +Development Status :: 3 - Alpha +Intended Audience :: Science/Research +Intended Audience :: Developers +License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+) +Programming Language :: C +Programming Language :: Python +Programming Language :: Python :: 3 +Topic :: Scientific/Engineering :: Bio-Informatics +Topic :: Scientific/Engineering :: Chemistry +Operating System :: Microsoft :: Windows +Operating System :: POSIX +Operating System :: Unix +Operating System :: MacOS +""" + +extensions = [] + +setup(name='testsystems', + author='John D. Chodera', + author_email='john.chodera@choderalab.org', + description=DOCLINES[0], + long_description="\n".join(DOCLINES[2:]), + version=__version__, + license='GPLv3+', + url='http://github.com/choderalab/openmm-testsystems', + platforms=['Linux', 'Mac OS-X', 'Unix'], + classifiers=CLASSIFIERS.splitlines(), + packages=["testsystems"], + package_dir={'testsystems': 'src'}, + install_requires=['numpy', 'nose', 'nose-exclude'], + zip_safe=False, + scripts=[], + ext_modules=extensions, + package_data={'testsystems.data': ['src/data/*']}, + **setup_kwargs + ) diff --git a/src/data/T4-lysozyme-L99A-implicit/complex-min.sander.out b/src/data/T4-lysozyme-L99A-implicit/complex-min.sander.out new file mode 100644 index 000000000..c6bf7f7f0 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/complex-min.sander.out @@ -0,0 +1,4148 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 07:09:48 + [-O]verwriting output + +File Assignments: +| MDIN: min.sander.in +| MDOUT: complex-min.sander.out +|INPCRD: complex.crd +| PARM: complex.prmtop +|RESTRT: complex-minimized.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Minimization + &cntrl + imin = 1, maxcyc = 500, ncyc = 50, + ntb = 0, + igb=2, cut=999.0, rgbmax=999.0, + ntpr = 1, + &end + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 2621 NTYPES = 14 NBONH = 1323 MBONA = 1318 + NTHETH = 2989 MTHETA = 1775 NPHIH = 5342 MPHIA = 3091 + NHPARM = 0 NPARM = 0 NNB = 14389 NRES = 163 + NBONA = 1318 NTHETA = 1775 NPHIA = 3091 NUMBND = 43 + NUMANG = 91 NPTRA = 29 NATYP = 30 NPHB = 0 + IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 168145 +| Hollerith 15891 +| Integer 147319 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 1951 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + + + +General flags: + imin = 1, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 1, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 1, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Energy minimization: + maxcyc = 500, ncyc = 50, ntmin = 1 + dx0 = 0.01000, drms = 0.00010 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + + + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 1 -6.3427E+03 1.6038E+01 1.0583E+02 C 1206 + + BOND = 503.9962 ANGLE = 774.3296 DIHED = 1010.0504 + VDWAALS = -1226.3873 EEL = -10603.3601 EGB = -2602.6759 + 1-4 VDW = 586.0961 1-4 EEL = 5215.2722 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 2 -6.3596E+03 1.5764E+01 1.0319E+02 C 1206 + + BOND = 493.0061 ANGLE = 770.3991 DIHED = 1009.2018 + VDWAALS = -1227.0509 EEL = -10603.7319 EGB = -2602.6009 + 1-4 VDW = 585.8389 1-4 EEL = 5215.3391 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 3 -6.3795E+03 1.5439E+01 1.0006E+02 C 1206 + + BOND = 480.1513 ANGLE = 765.7436 DIHED = 1008.1775 + VDWAALS = -1227.8512 EEL = -10604.1780 EGB = -2602.5117 + 1-4 VDW = 585.5296 1-4 EEL = 5215.4189 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 4 -6.4029E+03 1.5054E+01 9.6339E+01 C 1206 + + BOND = 465.2008 ANGLE = 760.2438 DIHED = 1006.9396 + VDWAALS = -1228.8174 EEL = -10604.7132 EGB = -2602.4059 + 1-4 VDW = 585.1574 1-4 EEL = 5215.5138 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 5 -6.4301E+03 1.4598E+01 9.1943E+01 C 1206 + + BOND = 447.9361 ANGLE = 753.7676 DIHED = 1005.4414 + VDWAALS = -1229.9855 EEL = -10605.3551 EGB = -2602.2805 + 1-4 VDW = 584.7093 1-4 EEL = 5215.6265 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 6 -6.4618E+03 1.4062E+01 8.6769E+01 C 1206 + + BOND = 428.1768 ANGLE = 746.1711 DIHED = 1003.6249 + VDWAALS = -1231.4000 EEL = -10606.1249 EGB = -2602.1325 + 1-4 VDW = 584.1691 1-4 EEL = 5215.7600 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 7 -6.4982E+03 1.3434E+01 8.0710E+01 C 1206 + + BOND = 405.8181 ANGLE = 737.3021 DIHED = 1001.4178 + VDWAALS = -1233.1167 EEL = -10607.0476 EGB = -2601.9585 + 1-4 VDW = 583.5170 1-4 EEL = 5215.9173 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 8 -6.5397E+03 1.2705E+01 7.3670E+01 C 1206 + + BOND = 380.8844 ANGLE = 727.0051 DIHED = 998.7294 + VDWAALS = -1235.2056 EEL = -10608.1528 EGB = -2601.7549 + 1-4 VDW = 582.7281 1-4 EEL = 5216.1016 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 9 -6.5865E+03 1.1867E+01 6.7610E+01 CA 55 + + BOND = 353.6003 ANGLE = 715.1293 DIHED = 995.4456 + VDWAALS = -1237.7554 EEL = -10609.4752 EGB = -2601.5181 + 1-4 VDW = 581.7713 1-4 EEL = 5216.3158 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 10 -6.6386E+03 1.0920E+01 6.2271E+01 CA 55 + + BOND = 324.4763 ANGLE = 701.5386 DIHED = 991.4222 + VDWAALS = -1240.8795 EEL = -10611.0543 EGB = -2601.2453 + 1-4 VDW = 580.6067 1-4 EEL = 5216.5614 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 11 -6.6956E+03 9.8736E+00 5.5989E+01 CA 55 + + BOND = 294.3913 ANGLE = 686.1224 DIHED = 986.4790 + VDWAALS = -1244.7234 EEL = -10612.9339 EGB = -2600.9348 + 1-4 VDW = 579.1825 1-4 EEL = 5216.8372 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 12 -6.7568E+03 8.7600E+00 4.8698E+01 CA 55 + + BOND = 264.6266 ANGLE = 668.8026 DIHED = 980.3975 + VDWAALS = -1249.4706 EEL = -10615.1575 EGB = -2600.5878 + 1-4 VDW = 577.4312 1-4 EEL = 5217.1360 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 13 -6.8214E+03 7.6377E+00 4.3037E+01 HB2 1569 + + BOND = 236.7511 ANGLE = 649.5307 DIHED = 972.9357 + VDWAALS = -1255.3424 EEL = -10617.7607 EGB = -2600.2109 + 1-4 VDW = 575.2665 1-4 EEL = 5217.4387 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 14 -6.8885E+03 6.5900E+00 3.7260E+01 HB2 1569 + + BOND = 212.2139 ANGLE = 628.2721 DIHED = 963.8866 + VDWAALS = -1262.5706 EEL = -10620.7538 EGB = -2599.8196 + 1-4 VDW = 572.5844 1-4 EEL = 5217.7057 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 15 -6.9579E+03 5.6885E+00 3.1070E+01 HB2 1569 + + BOND = 191.6405 ANGLE = 604.9982 DIHED = 953.2181 + VDWAALS = -1271.3155 EEL = -10624.1074 EGB = -2599.4409 + 1-4 VDW = 569.2789 1-4 EEL = 5217.8682 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 16 -7.0299E+03 4.9369E+00 2.7624E+01 HB3 970 + + BOND = 174.4207 ANGLE = 579.7257 DIHED = 941.2430 + VDWAALS = -1281.5463 EEL = -10627.7805 EGB = -2599.1078 + 1-4 VDW = 565.2685 1-4 EEL = 5217.8323 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 17 -7.1051E+03 4.2794E+00 2.6512E+01 HB3 970 + + BOND = 159.4516 ANGLE = 552.5795 DIHED = 928.5981 + VDWAALS = -1293.0265 EEL = -10631.8362 EGB = -2598.8406 + 1-4 VDW = 560.4926 1-4 EEL = 5217.5063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 18 -7.1829E+03 3.6722E+00 2.4159E+01 HB3 970 + + BOND = 146.2896 ANGLE = 523.8090 DIHED = 915.9431 + VDWAALS = -1305.4521 EEL = -10636.5125 EGB = -2598.6387 + 1-4 VDW = 554.8697 1-4 EEL = 5216.8128 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 19 -7.2624E+03 3.1097E+00 2.0895E+01 HB3 970 + + BOND = 135.3016 ANGLE = 493.7400 DIHED = 903.6350 + VDWAALS = -1318.5161 EEL = -10642.0937 EGB = -2598.4818 + 1-4 VDW = 548.3128 1-4 EEL = 5215.6640 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 20 -7.3427E+03 2.6004E+00 1.7231E+01 HB3 970 + + BOND = 127.2134 ANGLE = 462.7179 DIHED = 891.5014 + VDWAALS = -1331.8168 EEL = -10648.9271 EGB = -2598.2749 + 1-4 VDW = 540.8282 1-4 EEL = 5214.0202 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 21 -7.4227E+03 2.1434E+00 1.3425E+01 HB3 970 + + BOND = 122.2437 ANGLE = 431.6249 DIHED = 878.9225 + VDWAALS = -1344.8648 EEL = -10657.5244 EGB = -2597.9102 + 1-4 VDW = 532.6195 1-4 EEL = 5212.1632 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 22 -7.5006E+03 1.7947E+00 1.3659E+01 CG 2018 + + BOND = 119.9291 ANGLE = 402.0440 DIHED = 865.3399 + VDWAALS = -1357.3049 EEL = -10668.8258 EGB = -2597.0373 + 1-4 VDW = 524.1371 1-4 EEL = 5211.0778 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 23 -7.5429E+03 5.2670E+00 1.4972E+02 CG 2018 + + BOND = 145.3268 ANGLE = 381.0822 DIHED = 851.3640 + VDWAALS = -1369.2228 EEL = -10682.9048 EGB = -2596.7875 + 1-4 VDW = 516.4555 1-4 EEL = 5211.8219 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 24 -7.1596E+03 1.9534E+01 6.0328E+02 CG 2018 + + BOND = 499.7525 ANGLE = 420.1225 DIHED = 846.9839 + VDWAALS = -1369.8865 EEL = -10691.7292 EGB = -2593.5824 + 1-4 VDW = 514.7392 1-4 EEL = 5214.0144 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 25 -7.5438E+03 6.7709E+00 1.9759E+02 CG 2018 + + BOND = 162.9368 ANGLE = 376.3014 DIHED = 846.3485 + VDWAALS = -1372.1105 EEL = -10690.5152 EGB = -2594.4251 + 1-4 VDW = 514.0825 1-4 EEL = 5213.5718 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 26 -7.5261E+03 8.4157E+00 2.7025E+02 CG 2018 + + BOND = 187.8797 ANGLE = 376.0404 DIHED = 844.7941 + VDWAALS = -1374.5659 EEL = -10690.4963 EGB = -2596.6109 + 1-4 VDW = 513.4665 1-4 EEL = 5213.3792 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 27 -7.6069E+03 1.4890E+00 1.0222E+01 CG 2018 + + BOND = 118.4151 ANGLE = 366.2708 DIHED = 844.0108 + VDWAALS = -1374.5965 EEL = -10693.0002 EGB = -2594.9807 + 1-4 VDW = 512.9708 1-4 EEL = 5213.9608 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 28 -7.6116E+03 3.7936E+00 6.2492E+01 CG 2018 + + BOND = 131.9570 ANGLE = 361.1085 DIHED = 839.4738 + VDWAALS = -1377.7309 EEL = -10699.2898 EGB = -2593.3955 + 1-4 VDW = 510.9424 1-4 EEL = 5215.3730 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 29 -7.5950E+03 5.9116E+00 1.3105E+02 CG 2018 + + BOND = 151.9279 ANGLE = 364.3171 DIHED = 837.9315 + VDWAALS = -1379.5082 EEL = -10701.7204 EGB = -2594.3846 + 1-4 VDW = 510.3939 1-4 EEL = 5216.0152 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 30 -7.6388E+03 1.4754E+00 9.5701E+00 HG1 2261 + + BOND = 118.1293 ANGLE = 356.0234 DIHED = 837.2307 + VDWAALS = -1379.7503 EEL = -10703.0852 EGB = -2593.5005 + 1-4 VDW = 509.9180 1-4 EEL = 5216.2647 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 31 -7.6428E+03 2.8446E+00 2.4977E+01 C 2433 + + BOND = 125.1192 ANGLE = 352.8182 DIHED = 834.5063 + VDWAALS = -1381.7827 EEL = -10706.8150 EGB = -2592.5937 + 1-4 VDW = 508.7785 1-4 EEL = 5217.1892 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 32 -7.6425E+03 3.6874E+00 2.9132E+01 C 1815 + + BOND = 129.7157 ANGLE = 353.7804 DIHED = 833.2642 + VDWAALS = -1382.9492 EEL = -10709.9863 EGB = -2592.6569 + 1-4 VDW = 508.2874 1-4 EEL = 5218.0274 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 33 -7.6620E+03 1.0953E+00 9.2743E+00 HG1 2261 + + BOND = 116.9019 ANGLE = 348.8970 DIHED = 832.6012 + VDWAALS = -1383.4017 EEL = -10710.6313 EGB = -2592.3814 + 1-4 VDW = 507.9130 1-4 EEL = 5218.1488 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 34 -7.6711E+03 1.3912E+00 1.0718E+01 C 2433 + + BOND = 117.6424 ANGLE = 345.7407 DIHED = 830.4081 + VDWAALS = -1385.1272 EEL = -10714.1834 EGB = -2591.6224 + 1-4 VDW = 507.0215 1-4 EEL = 5219.0599 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 35 -7.6740E+03 2.4942E+00 3.5021E+01 CG 2018 + + BOND = 122.0551 ANGLE = 345.0230 DIHED = 828.7566 + VDWAALS = -1386.5728 EEL = -10718.1605 EGB = -2591.5216 + 1-4 VDW = 506.2900 1-4 EEL = 5220.1435 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 36 -7.6751E+03 3.1119E+00 6.1968E+01 CG 2018 + + BOND = 125.9677 ANGLE = 343.0968 DIHED = 827.3474 + VDWAALS = -1387.6481 EEL = -10719.3787 EGB = -2590.8000 + 1-4 VDW = 505.8574 1-4 EEL = 5220.4373 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 37 -7.6733E+03 3.9400E+00 1.0766E+02 CG 2018 + + BOND = 131.5665 ANGLE = 343.5703 DIHED = 826.5944 + VDWAALS = -1388.2988 EEL = -10723.0292 EGB = -2590.5220 + 1-4 VDW = 505.4073 1-4 EEL = 5221.4045 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 38 -7.6940E+03 1.0481E+00 8.4353E+00 CG 2018 + + BOND = 116.2159 ANGLE = 339.4604 DIHED = 826.0465 + VDWAALS = -1388.8217 EEL = -10722.8206 EGB = -2590.6598 + 1-4 VDW = 505.1944 1-4 EEL = 5221.4034 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 39 -7.6998E+03 1.8141E+00 3.7065E+01 CG 2018 + + BOND = 118.5726 ANGLE = 337.0386 DIHED = 824.2063 + VDWAALS = -1390.2112 EEL = -10726.8352 EGB = -2589.3472 + 1-4 VDW = 504.4833 1-4 EEL = 5222.3161 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 40 -7.6972E+03 3.1624E+00 9.1847E+01 CG 2018 + + BOND = 125.0621 ANGLE = 337.3558 DIHED = 823.2817 + VDWAALS = -1391.4322 EEL = -10727.9602 EGB = -2590.7026 + 1-4 VDW = 504.1283 1-4 EEL = 5223.0960 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 41 -7.7100E+03 1.0028E+00 7.9538E+00 HG1 2261 + + BOND = 115.8046 ANGLE = 334.8409 DIHED = 822.8705 + VDWAALS = -1391.5310 EEL = -10729.6216 EGB = -2589.5492 + 1-4 VDW = 503.9250 1-4 EEL = 5223.2447 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 42 -7.7149E+03 1.2791E+00 1.0499E+01 C 2433 + + BOND = 116.4117 ANGLE = 333.0393 DIHED = 821.6547 + VDWAALS = -1392.5243 EEL = -10732.0773 EGB = -2588.7597 + 1-4 VDW = 503.4841 1-4 EEL = 5223.8546 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 43 -7.7177E+03 1.8222E+00 1.6567E+01 C 603 + + BOND = 118.0908 ANGLE = 332.5488 DIHED = 820.7757 + VDWAALS = -1393.4460 EEL = -10734.4608 EGB = -2589.0299 + 1-4 VDW = 503.1188 1-4 EEL = 5224.6677 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 44 -7.7197E+03 2.2195E+00 2.0713E+01 C 2433 + + BOND = 119.8832 ANGLE = 331.1238 DIHED = 819.7830 + VDWAALS = -1394.1252 EEL = -10736.4135 EGB = -2587.7531 + 1-4 VDW = 502.8118 1-4 EEL = 5224.9757 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 45 -7.7203E+03 2.7319E+00 3.2882E+01 CG 2018 + + BOND = 122.3776 ANGLE = 331.3445 DIHED = 819.2362 + VDWAALS = -1394.9220 EEL = -10737.9468 EGB = -2588.7180 + 1-4 VDW = 502.5684 1-4 EEL = 5225.7656 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 46 -7.7190E+03 3.3813E+00 6.5008E+01 CG 2018 + + BOND = 126.7816 ANGLE = 330.3214 DIHED = 818.2641 + VDWAALS = -1395.3973 EEL = -10740.5051 EGB = -2586.7241 + 1-4 VDW = 502.2801 1-4 EEL = 5225.9806 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 47 -7.7349E+03 8.7703E-01 1.0673E+01 CG 2018 + + BOND = 114.9201 ANGLE = 327.5317 DIHED = 818.0797 + VDWAALS = -1395.8001 EEL = -10740.5235 EGB = -2587.5374 + 1-4 VDW = 502.1271 1-4 EEL = 5226.2623 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 48 -7.7393E+03 1.6203E+00 4.6708E+01 CG 2018 + + BOND = 116.6698 ANGLE = 326.3914 DIHED = 816.8809 + VDWAALS = -1396.9093 EEL = -10744.3487 EGB = -2586.9843 + 1-4 VDW = 501.6550 1-4 EEL = 5227.3311 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 49 -7.7359E+03 2.9997E+00 1.1148E+02 CG 2018 + + BOND = 123.1248 ANGLE = 325.5333 DIHED = 815.9829 + VDWAALS = -1397.8133 EEL = -10744.7328 EGB = -2586.9429 + 1-4 VDW = 501.4500 1-4 EEL = 5227.5273 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 50 -7.7469E+03 9.0655E-01 7.9192E+00 CG 2018 + + BOND = 114.6334 ANGLE = 324.1459 DIHED = 815.8226 + VDWAALS = -1397.8953 EEL = -10746.2669 EGB = -2586.4902 + 1-4 VDW = 501.3176 1-4 EEL = 5227.8652 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 51 -7.7501E+03 1.2471E+00 2.1803E+01 CG 2018 + + BOND = 115.2584 ANGLE = 323.4694 DIHED = 815.1056 + VDWAALS = -1398.6176 EEL = -10748.7452 EGB = -2586.2520 + 1-4 VDW = 501.0365 1-4 EEL = 5228.6032 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 52 -7.7511E+03 1.0592E+00 1.5628E+01 CG 2018 + + BOND = 114.7780 ANGLE = 323.2171 DIHED = 815.0344 + VDWAALS = -1398.6827 EEL = -10748.8355 EGB = -2586.2133 + 1-4 VDW = 501.0147 1-4 EEL = 5228.6248 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 53 -7.7533E+03 8.9003E-01 1.7283E+01 CG 2018 + + BOND = 114.3612 ANGLE = 322.3712 DIHED = 814.6616 + VDWAALS = -1399.0238 EEL = -10749.3151 EGB = -2586.0136 + 1-4 VDW = 500.9131 1-4 EEL = 5228.7433 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 54 -7.7564E+03 8.7160E-01 6.4463E+00 HG1 2261 + + BOND = 114.2593 ANGLE = 321.4725 DIHED = 814.0789 + VDWAALS = -1399.5637 EEL = -10750.9791 EGB = -2585.6189 + 1-4 VDW = 500.7136 1-4 EEL = 5229.1882 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 55 -7.7727E+03 3.0938E+00 1.1258E+02 CG 2018 + + BOND = 122.8161 ANGLE = 315.1455 DIHED = 809.2195 + VDWAALS = -1403.9988 EEL = -10766.1418 EGB = -2582.1005 + 1-4 VDW = 499.0144 1-4 EEL = 5233.3088 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 56 -7.8032E+03 2.4671E+00 8.7319E+01 CG 2018 + + BOND = 118.9008 ANGLE = 307.3976 DIHED = 804.7614 + VDWAALS = -1408.2086 EEL = -10781.9817 EGB = -2579.4469 + 1-4 VDW = 497.3412 1-4 EEL = 5238.0606 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 57 -7.8509E+03 3.1158E+00 1.5916E+02 OG1 2260 + + BOND = 135.9543 ANGLE = 292.7827 DIHED = 797.9212 + VDWAALS = -1412.7254 EEL = -10848.6209 EGB = -2569.4806 + 1-4 VDW = 493.2714 1-4 EEL = 5260.0253 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 58 -7.8549E+03 2.2834E+00 1.1613E+02 OG1 2260 + + BOND = 125.4717 ANGLE = 293.1619 DIHED = 797.6310 + VDWAALS = -1413.6952 EEL = -10835.0306 EGB = -2571.3456 + 1-4 VDW = 493.6764 1-4 EEL = 5255.2558 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 59 -7.8315E+03 5.1152E+00 2.4713E+02 OG1 2260 + + BOND = 150.1073 ANGLE = 292.3009 DIHED = 797.7983 + VDWAALS = -1414.9032 EEL = -10848.9693 EGB = -2563.6174 + 1-4 VDW = 493.4625 1-4 EEL = 5262.2805 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 60 -7.8673E+03 1.0007E+00 2.0138E+01 CG 2018 + + BOND = 116.4489 ANGLE = 291.0600 DIHED = 797.3059 + VDWAALS = -1414.5668 EEL = -10840.2363 EGB = -2568.4363 + 1-4 VDW = 493.4265 1-4 EEL = 5257.7120 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 61 -7.8705E+03 8.8065E-01 2.9319E+01 OG1 2260 + + BOND = 114.6887 ANGLE = 291.8069 DIHED = 796.9324 + VDWAALS = -1416.0496 EEL = -10842.2845 EGB = -2567.5875 + 1-4 VDW = 493.6837 1-4 EEL = 5258.3157 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 62 -7.8709E+03 1.2158E+00 3.8457E+01 CG 2018 + + BOND = 114.8186 ANGLE = 292.3137 DIHED = 796.7661 + VDWAALS = -1416.7266 EEL = -10843.2389 EGB = -2567.1967 + 1-4 VDW = 493.8071 1-4 EEL = 5258.5996 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 63 -7.8767E+03 9.1501E-01 2.1273E+01 CB 2254 + + BOND = 111.5913 ANGLE = 294.1895 DIHED = 796.0141 + VDWAALS = -1419.9228 EEL = -10845.7443 EGB = -2566.5104 + 1-4 VDW = 494.6778 1-4 EEL = 5259.0173 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 64 -7.8802E+03 1.4948E+00 4.2398E+01 CB 2254 + + BOND = 110.4434 ANGLE = 298.3087 DIHED = 794.9993 + VDWAALS = -1424.6257 EEL = -10849.6495 EGB = -2565.4935 + 1-4 VDW = 496.1136 1-4 EEL = 5259.7214 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 65 -7.8895E+03 1.6129E+00 5.7116E+01 OG1 2260 + + BOND = 106.9872 ANGLE = 302.9325 DIHED = 793.1026 + VDWAALS = -1430.5734 EEL = -10858.1530 EGB = -2562.9435 + 1-4 VDW = 498.4111 1-4 EEL = 5260.6872 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 66 -7.8896E+03 1.5929E+00 5.6396E+01 OG1 2260 + + BOND = 106.9471 ANGLE = 302.8412 DIHED = 793.1241 + VDWAALS = -1430.4997 EEL = -10858.0387 EGB = -2562.9769 + 1-4 VDW = 498.3786 1-4 EEL = 5260.6731 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 67 -7.8999E+03 1.6870E+00 4.0685E+01 HG1 2261 + + BOND = 104.7483 ANGLE = 301.0254 DIHED = 790.7140 + VDWAALS = -1433.1686 EEL = -10863.1298 EGB = -2561.6157 + 1-4 VDW = 499.0954 1-4 EEL = 5262.3849 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 68 -7.9001E+03 1.8384E+00 4.2222E+01 CB 2254 + + BOND = 105.2690 ANGLE = 301.0821 DIHED = 790.4540 + VDWAALS = -1433.4699 EEL = -10863.7787 EGB = -2561.4486 + 1-4 VDW = 499.2008 1-4 EEL = 5262.6093 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 69 -7.9117E+03 1.4812E+00 3.6798E+01 OG1 2260 + + BOND = 103.4035 ANGLE = 289.0489 DIHED = 788.5367 + VDWAALS = -1433.6694 EEL = -10862.0907 EGB = -2559.0961 + 1-4 VDW = 499.0884 1-4 EEL = 5263.1078 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 70 -7.9118E+03 1.6304E+00 4.4263E+01 OG1 2260 + + BOND = 104.0271 ANGLE = 287.9935 DIHED = 788.3654 + VDWAALS = -1433.6614 EEL = -10861.9058 EGB = -2558.8497 + 1-4 VDW = 499.0842 1-4 EEL = 5263.1649 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 71 -7.9218E+03 1.2931E+00 3.0063E+01 CG 2018 + + BOND = 105.5971 ANGLE = 278.8214 DIHED = 786.6678 + VDWAALS = -1432.9271 EEL = -10866.6103 EGB = -2556.5913 + 1-4 VDW = 498.2167 1-4 EEL = 5264.9843 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 72 -7.9219E+03 1.3757E+00 3.3919E+01 CG 2018 + + BOND = 106.0983 ANGLE = 278.3769 DIHED = 786.5890 + VDWAALS = -1432.8509 EEL = -10866.9195 EGB = -2556.4480 + 1-4 VDW = 498.1671 1-4 EEL = 5265.1074 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 73 -7.9271E+03 1.4378E+00 4.3981E+01 OG1 2260 + + BOND = 110.0825 ANGLE = 273.2806 DIHED = 785.5158 + VDWAALS = -1432.8053 EEL = -10869.9219 EGB = -2555.9094 + 1-4 VDW = 497.6873 1-4 EEL = 5264.9960 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 74 -7.9275E+03 1.0928E+00 3.2846E+01 OG1 2260 + + BOND = 108.0624 ANGLE = 274.0800 DIHED = 785.6870 + VDWAALS = -1432.8636 EEL = -10869.2674 EGB = -2556.0161 + 1-4 VDW = 497.7797 1-4 EEL = 5265.0130 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 75 -7.9322E+03 8.3598E-01 1.3871E+01 CB 2254 + + BOND = 108.1820 ANGLE = 272.0178 DIHED = 784.9080 + VDWAALS = -1433.5562 EEL = -10870.9753 EGB = -2554.8957 + 1-4 VDW = 497.7887 1-4 EEL = 5264.3164 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 76 -7.9323E+03 8.2472E-01 1.3570E+01 CB 2254 + + BOND = 108.1389 ANGLE = 272.0285 DIHED = 784.9028 + VDWAALS = -1433.5713 EEL = -10870.9977 EGB = -2554.9024 + 1-4 VDW = 497.7926 1-4 EEL = 5264.3260 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 77 -7.9324E+03 8.1164E-01 1.3213E+01 CB 2254 + + BOND = 108.0880 ANGLE = 272.0417 DIHED = 784.8965 + VDWAALS = -1433.5897 EEL = -10871.0244 EGB = -2554.9102 + 1-4 VDW = 497.7975 1-4 EEL = 5264.3372 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 78 -7.9325E+03 7.9654E-01 1.2790E+01 CB 2254 + + BOND = 108.0281 ANGLE = 272.0580 DIHED = 784.8889 + VDWAALS = -1433.6118 EEL = -10871.0561 EGB = -2554.9192 + 1-4 VDW = 497.8034 1-4 EEL = 5264.3502 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 79 -7.9326E+03 7.7930E-01 1.2292E+01 CB 2254 + + BOND = 107.9579 ANGLE = 272.0782 DIHED = 784.8797 + VDWAALS = -1433.6387 EEL = -10871.0935 EGB = -2554.9295 + 1-4 VDW = 497.8106 1-4 EEL = 5264.3651 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 80 -7.9335E+03 6.5310E-01 8.2013E+00 CA 2252 + + BOND = 107.3964 ANGLE = 272.2900 DIHED = 784.7972 + VDWAALS = -1433.8839 EEL = -10871.4267 EGB = -2555.0178 + 1-4 VDW = 497.8781 1-4 EEL = 5264.4922 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 81 -7.9352E+03 8.9819E-01 1.1673E+01 CG 2521 + + BOND = 106.4908 ANGLE = 273.7722 DIHED = 784.4823 + VDWAALS = -1434.9042 EEL = -10872.8331 EGB = -2555.3953 + 1-4 VDW = 498.1754 1-4 EEL = 5265.0291 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 82 -7.9385E+03 7.4548E-01 1.5299E+01 CG2 2256 + + BOND = 103.6667 ANGLE = 275.8253 DIHED = 783.9938 + VDWAALS = -1436.6400 EEL = -10873.5915 EGB = -2554.9518 + 1-4 VDW = 498.7960 1-4 EEL = 5264.3644 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 83 -7.9388E+03 9.6968E-01 1.7628E+01 CG2 2256 + + BOND = 103.2336 ANGLE = 276.8998 DIHED = 783.8413 + VDWAALS = -1437.2711 EEL = -10873.8779 EGB = -2554.7906 + 1-4 VDW = 499.0427 1-4 EEL = 5264.1140 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 84 -7.9428E+03 7.6859E-01 1.5815E+01 CB 2254 + + BOND = 101.5460 ANGLE = 280.5993 DIHED = 783.3129 + VDWAALS = -1439.0776 EEL = -10876.7844 EGB = -2555.3393 + 1-4 VDW = 498.8206 1-4 EEL = 5264.1053 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 85 -7.9429E+03 8.4147E-01 1.7736E+01 CB 2254 + + BOND = 101.6046 ANGLE = 281.0972 DIHED = 783.2727 + VDWAALS = -1439.2535 EEL = -10877.0832 EGB = -2555.3979 + 1-4 VDW = 498.8033 1-4 EEL = 5264.1044 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 86 -7.9466E+03 8.2874E-01 1.8302E+01 CG 2018 + + BOND = 102.9272 ANGLE = 279.2963 DIHED = 782.7361 + VDWAALS = -1438.8656 EEL = -10879.5863 EGB = -2555.2674 + 1-4 VDW = 497.4587 1-4 EEL = 5264.7215 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 87 -7.9468E+03 1.0311E+00 2.7023E+01 CG 2018 + + BOND = 103.8229 ANGLE = 279.0486 DIHED = 782.6234 + VDWAALS = -1438.7366 EEL = -10880.2780 EGB = -2555.2359 + 1-4 VDW = 497.1000 1-4 EEL = 5264.8927 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 88 -7.9501E+03 9.8877E-01 2.2779E+01 CG 2018 + + BOND = 106.3562 ANGLE = 273.3163 DIHED = 782.1257 + VDWAALS = -1437.3009 EEL = -10878.9160 EGB = -2555.1425 + 1-4 VDW = 495.1353 1-4 EEL = 5264.3601 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 89 -7.9502E+03 8.3926E-01 1.9780E+01 CB 2254 + + BOND = 105.6590 ANGLE = 273.9515 DIHED = 782.1735 + VDWAALS = -1437.5146 EEL = -10879.1055 EGB = -2555.1520 + 1-4 VDW = 495.4005 1-4 EEL = 5264.4337 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 90 -7.9531E+03 6.0331E-01 9.0862E+00 CB 2254 + + BOND = 107.7122 ANGLE = 270.8523 DIHED = 781.8837 + VDWAALS = -1436.2156 EEL = -10880.7868 EGB = -2554.9132 + 1-4 VDW = 493.7735 1-4 EEL = 5264.6116 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 91 -7.9533E+03 7.7530E-01 1.0992E+01 CB 2254 + + BOND = 109.1719 ANGLE = 269.8236 DIHED = 781.7960 + VDWAALS = -1435.6600 EEL = -10881.4683 EGB = -2554.8221 + 1-4 VDW = 493.1290 1-4 EEL = 5264.6844 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 92 -7.9555E+03 9.6995E-01 2.0694E+01 CB 2254 + + BOND = 112.4755 ANGLE = 267.9423 DIHED = 781.3726 + VDWAALS = -1435.3206 EEL = -10881.6096 EGB = -2555.6131 + 1-4 VDW = 491.7535 1-4 EEL = 5263.5107 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 93 -7.9556E+03 7.8476E-01 1.7172E+01 CB 2254 + + BOND = 111.5247 ANGLE = 268.1712 DIHED = 781.4378 + VDWAALS = -1435.3923 EEL = -10881.5832 EGB = -2555.4698 + 1-4 VDW = 491.9953 1-4 EEL = 5263.7201 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 94 -7.9591E+03 6.7546E-01 1.1699E+01 CA 2252 + + BOND = 111.5139 ANGLE = 267.6792 DIHED = 780.8781 + VDWAALS = -1436.6305 EEL = -10880.2293 EGB = -2555.5267 + 1-4 VDW = 491.4453 1-4 EEL = 5261.8125 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 95 -7.9604E+03 1.1226E+00 2.3245E+01 CB 2254 + + BOND = 112.8763 ANGLE = 267.9435 DIHED = 780.3975 + VDWAALS = -1437.8499 EEL = -10878.7469 EGB = -2555.6063 + 1-4 VDW = 490.8870 1-4 EEL = 5259.7322 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 96 -7.9652E+03 8.8583E-01 1.1276E+01 CB 2254 + + BOND = 111.1985 ANGLE = 271.7145 DIHED = 779.5115 + VDWAALS = -1441.3418 EEL = -10877.1422 EGB = -2556.3894 + 1-4 VDW = 489.9727 1-4 EEL = 5257.2818 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 97 -7.9652E+03 8.9310E-01 1.1392E+01 CB 2254 + + BOND = 111.2077 ANGLE = 271.7566 DIHED = 779.5060 + VDWAALS = -1441.3679 EEL = -10877.1291 EGB = -2556.3961 + 1-4 VDW = 489.9660 1-4 EEL = 5257.2620 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 98 -7.9682E+03 8.4215E-01 1.6487E+01 CG2 2256 + + BOND = 108.1887 ANGLE = 274.6306 DIHED = 778.8456 + VDWAALS = -1443.5906 EEL = -10875.9782 EGB = -2555.8950 + 1-4 VDW = 490.0109 1-4 EEL = 5255.5866 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 99 -7.9682E+03 8.2262E-01 1.5933E+01 CG2 2256 + + BOND = 108.2084 ANGLE = 274.5493 DIHED = 778.8586 + VDWAALS = -1443.5422 EEL = -10876.0045 EGB = -2555.9062 + 1-4 VDW = 490.0089 1-4 EEL = 5255.6247 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 100 -7.9715E+03 6.8556E-01 1.3222E+01 CG2 2256 + + BOND = 106.1507 ANGLE = 276.0717 DIHED = 778.1339 + VDWAALS = -1445.0061 EEL = -10877.4595 EGB = -2555.7563 + 1-4 VDW = 490.0442 1-4 EEL = 5256.3255 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 101 -7.9716E+03 6.6770E-01 1.2843E+01 CG2 2256 + + BOND = 106.1262 ANGLE = 276.0111 DIHED = 778.1281 + VDWAALS = -1444.9920 EEL = -10877.4737 EGB = -2555.7419 + 1-4 VDW = 490.0416 1-4 EEL = 5256.3341 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 102 -7.9716E+03 6.4727E-01 1.2392E+01 CG2 2256 + + BOND = 106.0996 ANGLE = 275.9385 DIHED = 778.1211 + VDWAALS = -1444.9749 EEL = -10877.4914 EGB = -2555.7249 + 1-4 VDW = 490.0384 1-4 EEL = 5256.3446 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 103 -7.9717E+03 6.2417E-01 1.1856E+01 CG2 2256 + + BOND = 106.0716 ANGLE = 275.8516 DIHED = 778.1126 + VDWAALS = -1444.9541 EEL = -10877.5132 EGB = -2555.7051 + 1-4 VDW = 490.0344 1-4 EEL = 5256.3576 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 104 -7.9719E+03 5.9850E-01 1.1223E+01 CG2 2256 + + BOND = 106.0432 ANGLE = 275.7475 DIHED = 778.1022 + VDWAALS = -1444.9286 EEL = -10877.5404 EGB = -2555.6820 + 1-4 VDW = 490.0296 1-4 EEL = 5256.3736 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 105 -7.9727E+03 4.4464E-01 8.3910E+00 HB 2255 + + BOND = 105.9620 ANGLE = 274.8206 DIHED = 778.0063 + VDWAALS = -1444.6879 EEL = -10877.8048 EGB = -2555.4775 + 1-4 VDW = 489.9846 1-4 EEL = 5256.5268 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 106 -7.9732E+03 6.3731E-01 1.3252E+01 CG 1464 + + BOND = 106.4919 ANGLE = 273.4068 DIHED = 777.8540 + VDWAALS = -1444.2724 EEL = -10878.2551 EGB = -2555.1318 + 1-4 VDW = 489.9139 1-4 EEL = 5256.7876 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 107 -7.9749E+03 5.5314E-01 1.1394E+01 CG2 2256 + + BOND = 107.2373 ANGLE = 271.2026 DIHED = 777.5286 + VDWAALS = -1443.3635 EEL = -10879.7027 EGB = -2555.0611 + 1-4 VDW = 489.7346 1-4 EEL = 5257.4956 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 108 -7.9751E+03 7.1488E-01 1.5681E+01 CG 1464 + + BOND = 107.8209 ANGLE = 270.5570 DIHED = 777.4275 + VDWAALS = -1443.0297 EEL = -10880.2201 EGB = -2555.0384 + 1-4 VDW = 489.6786 1-4 EEL = 5257.7482 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 109 -7.9771E+03 5.9290E-01 8.7186E+00 CG 174 + + BOND = 108.6574 ANGLE = 268.4560 DIHED = 776.9724 + VDWAALS = -1441.6771 EEL = -10883.4285 EGB = -2554.3835 + 1-4 VDW = 489.5252 1-4 EEL = 5258.7856 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 110 -7.9771E+03 6.4687E-01 1.0830E+01 CG 174 + + BOND = 108.8504 ANGLE = 268.3081 DIHED = 776.9349 + VDWAALS = -1441.5390 EEL = -10883.7441 EGB = -2554.3204 + 1-4 VDW = 489.5134 1-4 EEL = 5258.8878 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 111 -7.9784E+03 6.4213E-01 1.0531E+01 CB 2254 + + BOND = 108.5359 ANGLE = 267.2851 DIHED = 776.4430 + VDWAALS = -1441.1802 EEL = -10884.7474 EGB = -2553.9235 + 1-4 VDW = 489.7073 1-4 EEL = 5259.5017 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 112 -7.9785E+03 4.9726E-01 9.9502E+00 CB 2254 + + BOND = 108.3703 ANGLE = 267.3990 DIHED = 776.5309 + VDWAALS = -1441.2583 EEL = -10884.5466 EGB = -2554.0012 + 1-4 VDW = 489.6647 1-4 EEL = 5259.3783 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 113 -7.9795E+03 3.9507E-01 6.4433E+00 OG1 2260 + + BOND = 107.5393 ANGLE = 267.8653 DIHED = 776.2603 + VDWAALS = -1441.5176 EEL = -10885.3527 EGB = -2553.7451 + 1-4 VDW = 489.9513 1-4 EEL = 5259.4853 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 114 -7.9796E+03 5.2172E-01 7.9108E+00 CG2 2256 + + BOND = 107.4337 ANGLE = 268.1390 DIHED = 776.1574 + VDWAALS = -1441.6210 EEL = -10885.6928 EGB = -2553.6384 + 1-4 VDW = 490.0760 1-4 EEL = 5259.5309 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 115 -7.9812E+03 4.9357E-01 1.0553E+01 CG2 2256 + + BOND = 106.2747 ANGLE = 269.1541 DIHED = 775.8635 + VDWAALS = -1442.4919 EEL = -10886.4016 EGB = -2553.3533 + 1-4 VDW = 490.6713 1-4 EEL = 5259.0662 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 116 -7.9815E+03 7.2720E-01 1.2153E+01 CG2 2256 + + BOND = 106.0236 ANGLE = 269.9519 DIHED = 775.7283 + VDWAALS = -1442.9991 EEL = -10886.8311 EGB = -2553.1851 + 1-4 VDW = 491.0424 1-4 EEL = 5258.7865 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 117 -7.9838E+03 5.7239E-01 9.9039E+00 CG 174 + + BOND = 104.4414 ANGLE = 271.0025 DIHED = 775.3877 + VDWAALS = -1444.0625 EEL = -10888.6503 EGB = -2552.2504 + 1-4 VDW = 491.5570 1-4 EEL = 5258.8128 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 118 -7.9839E+03 7.0074E-01 1.5859E+01 CG 174 + + BOND = 104.2930 ANGLE = 271.4576 DIHED = 775.3288 + VDWAALS = -1444.3341 EEL = -10889.1468 EGB = -2551.9982 + 1-4 VDW = 491.7057 1-4 EEL = 5258.8221 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 119 -7.9855E+03 9.0179E-01 2.5832E+01 CG 174 + + BOND = 103.2293 ANGLE = 270.1054 DIHED = 774.8626 + VDWAALS = -1444.6673 EEL = -10889.2182 EGB = -2550.9629 + 1-4 VDW = 492.0735 1-4 EEL = 5259.0992 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 120 -7.9856E+03 6.8588E-01 1.6662E+01 CG 174 + + BOND = 103.1051 ANGLE = 270.3047 DIHED = 774.9472 + VDWAALS = -1444.6056 EEL = -10889.2045 EGB = -2551.1878 + 1-4 VDW = 491.9870 1-4 EEL = 5259.0362 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 121 -7.9875E+03 5.8717E-01 1.1940E+01 CG2 2256 + + BOND = 104.0066 ANGLE = 267.7605 DIHED = 774.4845 + VDWAALS = -1444.2718 EEL = -10890.1670 EGB = -2550.4750 + 1-4 VDW = 491.8547 1-4 EEL = 5259.2745 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 122 -7.9876E+03 6.6848E-01 1.3368E+01 CG2 2256 + + BOND = 104.3128 ANGLE = 267.4386 DIHED = 774.4275 + VDWAALS = -1444.2140 EEL = -10890.3142 EGB = -2550.3677 + 1-4 VDW = 491.8374 1-4 EEL = 5259.3122 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 123 -7.9897E+03 5.8778E-01 7.6979E+00 OG 2146 + + BOND = 106.4081 ANGLE = 264.4536 DIHED = 773.9565 + VDWAALS = -1443.6849 EEL = -10892.2075 EGB = -2549.7154 + 1-4 VDW = 491.1976 1-4 EEL = 5259.9071 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 124 -7.9897E+03 6.6908E-01 9.1877E+00 OG 2146 + + BOND = 106.9005 ANGLE = 264.0831 DIHED = 773.9028 + VDWAALS = -1443.5969 EEL = -10892.4967 EGB = -2549.6181 + 1-4 VDW = 491.1030 1-4 EEL = 5259.9998 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 125 -7.9917E+03 8.8719E-01 1.4150E+01 CG2 2256 + + BOND = 107.6838 ANGLE = 261.5652 DIHED = 773.1501 + VDWAALS = -1443.5228 EEL = -10892.8330 EGB = -2548.4863 + 1-4 VDW = 490.7950 1-4 EEL = 5259.9938 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 126 -7.9918E+03 8.5382E-01 1.3686E+01 CG2 2256 + + BOND = 107.5994 ANGLE = 261.6033 DIHED = 773.1431 + VDWAALS = -1443.5312 EEL = -10892.9017 EGB = -2548.4949 + 1-4 VDW = 490.7988 1-4 EEL = 5260.0138 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 127 -7.9919E+03 8.1522E-01 1.3128E+01 CG2 2256 + + BOND = 107.5025 ANGLE = 261.6501 DIHED = 773.1345 + VDWAALS = -1443.5419 EEL = -10892.9831 EGB = -2548.5050 + 1-4 VDW = 490.8038 1-4 EEL = 5260.0371 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 128 -7.9921E+03 7.7110E-01 1.2458E+01 CG2 2256 + + BOND = 107.3924 ANGLE = 261.7078 DIHED = 773.1238 + VDWAALS = -1443.5556 EEL = -10893.0793 EGB = -2548.5167 + 1-4 VDW = 490.8105 1-4 EEL = 5260.0638 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 129 -7.9922E+03 7.2154E-01 1.1655E+01 CG2 2256 + + BOND = 107.2686 ANGLE = 261.7791 DIHED = 773.1103 + VDWAALS = -1443.5734 EEL = -10893.1921 EGB = -2548.5300 + 1-4 VDW = 490.8194 1-4 EEL = 5260.0941 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 130 -7.9930E+03 4.9602E-01 6.8311E+00 CG2 2256 + + BOND = 106.6932 ANGLE = 262.2563 DIHED = 773.0272 + VDWAALS = -1443.6904 EEL = -10893.8540 EGB = -2548.6052 + 1-4 VDW = 490.8814 1-4 EEL = 5260.2626 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 131 -7.9935E+03 5.8742E-01 7.8836E+00 CG 174 + + BOND = 106.3956 ANGLE = 263.1626 DIHED = 772.9107 + VDWAALS = -1443.8689 EEL = -10894.8871 EGB = -2548.7239 + 1-4 VDW = 490.9807 1-4 EEL = 5260.5254 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 132 -7.9948E+03 4.0967E-01 7.0460E+00 CG2 2256 + + BOND = 105.1054 ANGLE = 264.1515 DIHED = 772.6316 + VDWAALS = -1444.4624 EEL = -10895.1646 EGB = -2548.6174 + 1-4 VDW = 491.3542 1-4 EEL = 5260.2323 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 133 -7.9951E+03 5.7131E-01 1.2574E+01 CG2 2256 + + BOND = 104.4160 ANGLE = 265.2623 DIHED = 772.4413 + VDWAALS = -1444.9689 EEL = -10895.4083 EGB = -2548.5280 + 1-4 VDW = 491.6884 1-4 EEL = 5259.9761 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 134 -7.9965E+03 6.2806E-01 1.4465E+01 CG 174 + + BOND = 102.9627 ANGLE = 267.8349 DIHED = 772.0671 + VDWAALS = -1445.6859 EEL = -10896.9193 EGB = -2548.3002 + 1-4 VDW = 491.6855 1-4 EEL = 5259.8477 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 135 -7.9965E+03 5.6810E-01 1.2300E+01 CG 174 + + BOND = 103.0039 ANGLE = 267.5616 DIHED = 772.0936 + VDWAALS = -1445.6233 EEL = -10896.7809 EGB = -2548.3204 + 1-4 VDW = 491.6841 1-4 EEL = 5259.8595 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 136 -7.9978E+03 6.7797E-01 1.6390E+01 CG 174 + + BOND = 103.7973 ANGLE = 268.4578 DIHED = 771.6566 + VDWAALS = -1445.7431 EEL = -10898.4067 EGB = -2548.5001 + 1-4 VDW = 491.1124 1-4 EEL = 5259.8567 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 137 -7.9978E+03 6.0964E-01 1.3604E+01 CG 174 + + BOND = 103.6239 ANGLE = 268.3413 DIHED = 771.6935 + VDWAALS = -1445.7341 EEL = -10898.2491 EGB = -2548.4822 + 1-4 VDW = 491.1663 1-4 EEL = 5259.8568 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 138 -7.9993E+03 4.6483E-01 7.0736E+00 OG 2146 + + BOND = 104.5647 ANGLE = 266.6224 DIHED = 771.2326 + VDWAALS = -1445.1856 EEL = -10898.7286 EGB = -2548.2004 + 1-4 VDW = 490.4817 1-4 EEL = 5259.8706 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 139 -7.9994E+03 5.7206E-01 9.5814E+00 OG 2146 + + BOND = 105.0342 ANGLE = 266.2510 DIHED = 771.1284 + VDWAALS = -1445.0170 EEL = -10898.8660 EGB = -2548.1209 + 1-4 VDW = 490.2912 1-4 EEL = 5259.8748 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 140 -8.0008E+03 5.3399E-01 7.2987E+00 OG 2146 + + BOND = 106.5760 ANGLE = 263.9664 DIHED = 770.8403 + VDWAALS = -1443.8608 EEL = -10899.9847 EGB = -2547.9029 + 1-4 VDW = 489.0163 1-4 EEL = 5260.5951 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 141 -8.0008E+03 4.8894E-01 6.9636E+00 CB 2254 + + BOND = 106.3768 ANGLE = 264.1208 DIHED = 770.8553 + VDWAALS = -1443.9572 EEL = -10899.8946 EGB = -2547.9199 + 1-4 VDW = 489.1170 1-4 EEL = 5260.5371 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 142 -8.0017E+03 4.7645E-01 1.0732E+01 CB 2254 + + BOND = 107.2904 ANGLE = 263.2287 DIHED = 770.7672 + VDWAALS = -1443.4453 EEL = -10900.5332 EGB = -2547.9472 + 1-4 VDW = 488.4837 1-4 EEL = 5260.4611 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 143 -8.0017E+03 4.4889E-01 9.9748E+00 CB 2254 + + BOND = 107.2001 ANGLE = 263.2661 DIHED = 770.7700 + VDWAALS = -1443.4752 EEL = -10900.4973 EGB = -2547.9456 + 1-4 VDW = 488.5187 1-4 EEL = 5260.4653 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 144 -8.0027E+03 4.3002E-01 8.4369E+00 OG1 2260 + + BOND = 107.7878 ANGLE = 263.2312 DIHED = 770.6251 + VDWAALS = -1443.6609 EEL = -10901.0721 EGB = -2547.9098 + 1-4 VDW = 488.3121 1-4 EEL = 5259.9877 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 145 -8.0028E+03 5.5902E-01 1.0124E+01 OG 2146 + + BOND = 108.1752 ANGLE = 263.2937 DIHED = 770.5881 + VDWAALS = -1443.7193 EEL = -10901.2743 EGB = -2547.8984 + 1-4 VDW = 488.2428 1-4 EEL = 5259.8210 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 146 -8.0041E+03 4.4851E-01 5.8568E+00 CB 2254 + + BOND = 107.4414 ANGLE = 264.1448 DIHED = 770.3131 + VDWAALS = -1444.6130 EEL = -10900.8860 EGB = -2548.0374 + 1-4 VDW = 488.1170 1-4 EEL = 5259.3751 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 147 -8.0043E+03 5.7918E-01 1.0054E+01 CG 1464 + + BOND = 107.4021 ANGLE = 264.5900 DIHED = 770.2319 + VDWAALS = -1444.9317 EEL = -10900.7433 EGB = -2548.0921 + 1-4 VDW = 488.0769 1-4 EEL = 5259.2116 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 148 -8.0055E+03 6.5489E-01 1.4774E+01 CG 1464 + + BOND = 105.7666 ANGLE = 267.0346 DIHED = 769.7937 + VDWAALS = -1446.2531 EEL = -10901.0794 EGB = -2547.5187 + 1-4 VDW = 488.0986 1-4 EEL = 5258.6938 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 149 -8.0055E+03 5.4127E-01 1.0784E+01 CG 1464 + + BOND = 105.8649 ANGLE = 266.5819 DIHED = 769.8568 + VDWAALS = -1446.0476 EEL = -10901.0238 EGB = -2547.6095 + 1-4 VDW = 488.0917 1-4 EEL = 5258.7755 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 150 -8.0066E+03 5.5451E-01 8.5093E+00 CG 1464 + + BOND = 105.4936 ANGLE = 268.4398 DIHED = 769.3955 + VDWAALS = -1447.1129 EEL = -10902.0976 EGB = -2547.5552 + 1-4 VDW = 488.1124 1-4 EEL = 5258.7272 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 151 -8.0067E+03 5.3544E-01 7.7937E+00 CG 1464 + + BOND = 105.4767 ANGLE = 268.3837 DIHED = 769.3894 + VDWAALS = -1447.0995 EEL = -10902.1133 EGB = -2547.5375 + 1-4 VDW = 488.1102 1-4 EEL = 5258.7367 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 152 -8.0067E+03 5.1392E-01 7.1581E+00 HB 2255 + + BOND = 105.4592 ANGLE = 268.3163 DIHED = 769.3819 + VDWAALS = -1447.0832 EEL = -10902.1318 EGB = -2547.5168 + 1-4 VDW = 488.1076 1-4 EEL = 5258.7482 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 153 -8.0068E+03 4.9005E-01 7.0232E+00 HB 2255 + + BOND = 105.4420 ANGLE = 268.2355 DIHED = 769.3728 + VDWAALS = -1447.0637 EEL = -10902.1539 EGB = -2547.4926 + 1-4 VDW = 488.1044 1-4 EEL = 5258.7620 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 154 -8.0069E+03 4.6420E-01 6.8618E+00 HB 2255 + + BOND = 105.4263 ANGLE = 268.1390 DIHED = 769.3618 + VDWAALS = -1447.0402 EEL = -10902.1801 EGB = -2547.4647 + 1-4 VDW = 488.1005 1-4 EEL = 5258.7787 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 155 -8.0076E+03 3.5874E-01 5.4575E+00 CG 1464 + + BOND = 105.5116 ANGLE = 267.0407 DIHED = 769.2314 + VDWAALS = -1446.7541 EEL = -10902.4927 EGB = -2547.1450 + 1-4 VDW = 488.0544 1-4 EEL = 5258.9808 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 156 -8.0077E+03 5.0725E-01 1.2162E+01 CG 1464 + + BOND = 105.8100 ANGLE = 266.4081 DIHED = 769.1532 + VDWAALS = -1446.5698 EEL = -10902.6917 EGB = -2546.9426 + 1-4 VDW = 488.0270 1-4 EEL = 5259.1093 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 157 -8.0087E+03 4.3306E-01 7.5116E+00 CB 2254 + + BOND = 106.2422 ANGLE = 264.8218 DIHED = 768.9194 + VDWAALS = -1446.0935 EEL = -10903.1590 EGB = -2546.8297 + 1-4 VDW = 487.9392 1-4 EEL = 5259.4616 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 158 -8.0087E+03 5.3221E-01 1.1335E+01 CG 1464 + + BOND = 106.5057 ANGLE = 264.4576 DIHED = 768.8644 + VDWAALS = -1445.9618 EEL = -10903.2851 EGB = -2546.8005 + 1-4 VDW = 487.9184 1-4 EEL = 5259.5564 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 159 -8.0100E+03 4.3268E-01 5.1511E+00 CG 174 + + BOND = 106.8842 ANGLE = 263.2283 DIHED = 768.5557 + VDWAALS = -1445.2820 EEL = -10905.0850 EGB = -2546.1994 + 1-4 VDW = 487.8291 1-4 EEL = 5260.0936 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 160 -8.0100E+03 5.0583E-01 8.0772E+00 CG 174 + + BOND = 107.0792 ANGLE = 263.0562 DIHED = 768.5062 + VDWAALS = -1445.1451 EEL = -10905.4341 EGB = -2546.0842 + 1-4 VDW = 487.8152 1-4 EEL = 5260.1979 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 161 -8.0109E+03 5.4786E-01 9.1234E+00 CB 2254 + + BOND = 106.9983 ANGLE = 262.0591 DIHED = 768.0471 + VDWAALS = -1445.0826 EEL = -10905.5655 EGB = -2545.7129 + 1-4 VDW = 487.9954 1-4 EEL = 5260.3890 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 162 -8.0109E+03 4.2673E-01 8.7208E+00 CB 2254 + + BOND = 106.8650 ANGLE = 262.1930 DIHED = 768.1299 + VDWAALS = -1445.0993 EEL = -10905.5389 EGB = -2545.7861 + 1-4 VDW = 487.9566 1-4 EEL = 5260.3505 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 163 -8.0117E+03 3.6621E-01 5.2199E+00 HB 2255 + + BOND = 106.4048 ANGLE = 262.4811 DIHED = 767.8618 + VDWAALS = -1445.3819 EEL = -10905.8346 EGB = -2545.5880 + 1-4 VDW = 488.2501 1-4 EEL = 5260.0746 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 164 -8.0118E+03 4.5032E-01 5.9529E+00 HB 2255 + + BOND = 106.4021 ANGLE = 262.6021 DIHED = 767.7985 + VDWAALS = -1445.4543 EEL = -10905.9144 EGB = -2545.5355 + 1-4 VDW = 488.3310 1-4 EEL = 5260.0009 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 165 -8.0128E+03 4.4675E-01 6.3543E+00 HB 2255 + + BOND = 105.5796 ANGLE = 263.6943 DIHED = 767.5879 + VDWAALS = -1446.1081 EEL = -10906.4032 EGB = -2545.4072 + 1-4 VDW = 488.8052 1-4 EEL = 5259.4898 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 166 -8.0128E+03 5.3038E-01 7.4618E+00 CG 174 + + BOND = 105.5177 ANGLE = 263.9676 DIHED = 767.5573 + VDWAALS = -1446.2381 EEL = -10906.5043 EGB = -2545.3818 + 1-4 VDW = 488.9047 1-4 EEL = 5259.3855 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 167 -8.0140E+03 4.2953E-01 5.7135E+00 CG2 2256 + + BOND = 104.7517 ANGLE = 264.4214 DIHED = 767.3741 + VDWAALS = -1446.9463 EEL = -10907.1542 EGB = -2544.8118 + 1-4 VDW = 489.2595 1-4 EEL = 5259.0590 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 168 -8.0141E+03 5.2934E-01 8.4795E+00 CG 174 + + BOND = 104.6980 ANGLE = 264.6451 DIHED = 767.3439 + VDWAALS = -1447.1371 EEL = -10907.3394 EGB = -2544.6529 + 1-4 VDW = 489.3637 1-4 EEL = 5258.9685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 169 -8.0152E+03 6.1639E-01 1.2839E+01 CG 174 + + BOND = 103.9261 ANGLE = 263.7569 DIHED = 767.0148 + VDWAALS = -1447.4514 EEL = -10907.5766 EGB = -2543.7909 + 1-4 VDW = 489.5834 1-4 EEL = 5259.3258 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 170 -8.0152E+03 5.2295E-01 9.8023E+00 CG 174 + + BOND = 103.9050 ANGLE = 263.8397 DIHED = 767.0529 + VDWAALS = -1447.4108 EEL = -10907.5416 EGB = -2543.9122 + 1-4 VDW = 489.5498 1-4 EEL = 5259.2741 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 171 -8.0164E+03 5.0939E-01 9.4470E+00 CG 174 + + BOND = 104.2303 ANGLE = 262.3520 DIHED = 766.7020 + VDWAALS = -1447.4478 EEL = -10908.0726 EGB = -2543.2607 + 1-4 VDW = 489.4981 1-4 EEL = 5259.6062 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 172 -8.0164E+03 5.2307E-01 9.9689E+00 CG 174 + + BOND = 104.2587 ANGLE = 262.3200 DIHED = 766.6947 + VDWAALS = -1447.4481 EEL = -10908.0873 EGB = -2543.2434 + 1-4 VDW = 489.4971 1-4 EEL = 5259.6154 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 173 -8.0175E+03 5.2148E-01 9.7883E+00 CG 174 + + BOND = 105.3976 ANGLE = 260.7856 DIHED = 766.4064 + VDWAALS = -1447.3617 EEL = -10909.4225 EGB = -2542.4815 + 1-4 VDW = 489.1175 1-4 EEL = 5260.0088 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 174 -8.0175E+03 5.1830E-01 9.6674E+00 CG 174 + + BOND = 105.3861 ANGLE = 260.7930 DIHED = 766.4076 + VDWAALS = -1447.3623 EEL = -10909.4142 EGB = -2542.4860 + 1-4 VDW = 489.1198 1-4 EEL = 5260.0063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 175 -8.0187E+03 6.6963E-01 1.0014E+01 CG2 2256 + + BOND = 106.1116 ANGLE = 259.7893 DIHED = 765.9714 + VDWAALS = -1447.4715 EEL = -10910.3241 EGB = -2541.9673 + 1-4 VDW = 488.8276 1-4 EEL = 5260.3307 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 176 -8.0188E+03 6.4330E-01 9.6046E+00 CG2 2256 + + BOND = 106.0458 ANGLE = 259.8009 DIHED = 765.9646 + VDWAALS = -1447.4737 EEL = -10910.3415 EGB = -2541.9690 + 1-4 VDW = 488.8346 1-4 EEL = 5260.3296 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 177 -8.0189E+03 6.1318E-01 9.1144E+00 CG2 2256 + + BOND = 105.9710 ANGLE = 259.8157 DIHED = 765.9563 + VDWAALS = -1447.4766 EEL = -10910.3624 EGB = -2541.9711 + 1-4 VDW = 488.8429 1-4 EEL = 5260.3280 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 178 -8.0190E+03 5.7926E-01 8.5296E+00 CG2 2256 + + BOND = 105.8868 ANGLE = 259.8346 DIHED = 765.9460 + VDWAALS = -1447.4806 EEL = -10910.3876 EGB = -2541.9739 + 1-4 VDW = 488.8531 1-4 EEL = 5260.3257 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 179 -8.0191E+03 5.4189E-01 7.8354E+00 CG2 2256 + + BOND = 105.7936 ANGLE = 259.8587 DIHED = 765.9331 + VDWAALS = -1447.4862 EEL = -10910.4181 EGB = -2541.9774 + 1-4 VDW = 488.8654 1-4 EEL = 5260.3223 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 180 -8.0198E+03 3.6775E-01 4.8083E+00 HG21 2257 + + BOND = 105.2093 ANGLE = 260.1493 DIHED = 765.8174 + VDWAALS = -1447.5436 EEL = -10910.7005 EGB = -2542.0121 + 1-4 VDW = 488.9799 1-4 EEL = 5260.2841 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 181 -8.0200E+03 4.9751E-01 9.1108E+00 CG 174 + + BOND = 105.0630 ANGLE = 260.4304 DIHED = 765.7448 + VDWAALS = -1447.5826 EEL = -10910.9014 EGB = -2542.0377 + 1-4 VDW = 489.0627 1-4 EEL = 5260.2569 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 182 -8.0209E+03 3.7355E-01 7.7530E+00 CG2 2256 + + BOND = 104.6131 ANGLE = 261.1044 DIHED = 765.4950 + VDWAALS = -1447.8656 EEL = -10911.3801 EGB = -2542.1334 + 1-4 VDW = 489.2273 1-4 EEL = 5260.0253 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 183 -8.0210E+03 4.8932E-01 9.8545E+00 CG2 2256 + + BOND = 104.5978 ANGLE = 261.4977 DIHED = 765.4138 + VDWAALS = -1447.9825 EEL = -10911.5855 EGB = -2542.1761 + 1-4 VDW = 489.3007 1-4 EEL = 5259.9261 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 184 -8.0220E+03 4.9456E-01 9.2492E+00 CG 174 + + BOND = 104.3314 ANGLE = 262.6684 DIHED = 765.1356 + VDWAALS = -1448.1283 EEL = -10912.8822 EGB = -2542.0929 + 1-4 VDW = 489.1731 1-4 EEL = 5259.7861 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 185 -8.0220E+03 4.8550E-01 8.9136E+00 CG 174 + + BOND = 104.3244 ANGLE = 262.6421 DIHED = 765.1395 + VDWAALS = -1448.1260 EEL = -10912.8586 EGB = -2542.0944 + 1-4 VDW = 489.1752 1-4 EEL = 5259.7886 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 186 -8.0230E+03 5.0030E-01 8.5698E+00 CG2 2256 + + BOND = 104.6260 ANGLE = 263.1046 DIHED = 764.7686 + VDWAALS = -1447.9894 EEL = -10913.9944 EGB = -2542.1429 + 1-4 VDW = 488.7807 1-4 EEL = 5259.8355 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 187 -8.0230E+03 5.0402E-01 8.6944E+00 CG 174 + + BOND = 104.6333 ANGLE = 263.1098 DIHED = 764.7662 + VDWAALS = -1447.9882 EEL = -10914.0029 EGB = -2542.1433 + 1-4 VDW = 488.7779 1-4 EEL = 5259.8359 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 188 -8.0241E+03 4.2531E-01 6.5985E+00 HB 2255 + + BOND = 105.1678 ANGLE = 262.0401 DIHED = 764.3248 + VDWAALS = -1447.4195 EEL = -10914.9984 EGB = -2541.8824 + 1-4 VDW = 488.2132 1-4 EEL = 5260.4546 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 189 -8.0241E+03 4.5852E-01 6.9430E+00 HB 2255 + + BOND = 105.2573 ANGLE = 261.9796 DIHED = 764.2956 + VDWAALS = -1447.3702 EEL = -10915.0808 EGB = -2541.8614 + 1-4 VDW = 488.1678 1-4 EEL = 5260.5058 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 190 -8.0249E+03 4.8845E-01 7.8316E+00 CG 174 + + BOND = 106.1818 ANGLE = 260.4951 DIHED = 764.0729 + VDWAALS = -1446.7332 EEL = -10916.1229 EGB = -2541.3780 + 1-4 VDW = 487.4562 1-4 EEL = 5261.1124 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 191 -8.0249E+03 4.3552E-01 6.3640E+00 CG 174 + + BOND = 106.0276 ANGLE = 260.6220 DIHED = 764.0890 + VDWAALS = -1446.8011 EEL = -10916.0149 EGB = -2541.4271 + 1-4 VDW = 487.5285 1-4 EEL = 5261.0497 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 192 -8.0257E+03 4.0396E-01 9.3348E+00 CB 2254 + + BOND = 106.4203 ANGLE = 260.2976 DIHED = 764.0396 + VDWAALS = -1446.4545 EEL = -10916.9802 EGB = -2541.3154 + 1-4 VDW = 487.0312 1-4 EEL = 5261.2784 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 193 -8.0257E+03 4.0889E-01 9.4740E+00 CB 2254 + + BOND = 106.4313 ANGLE = 260.2960 DIHED = 764.0394 + VDWAALS = -1446.4500 EEL = -10916.9922 EGB = -2541.3141 + 1-4 VDW = 487.0252 1-4 EEL = 5261.2812 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 194 -8.0265E+03 3.7400E-01 5.6556E+00 CB 2254 + + BOND = 106.6011 ANGLE = 260.6444 DIHED = 763.9159 + VDWAALS = -1446.5351 EEL = -10917.7569 EGB = -2541.3028 + 1-4 VDW = 486.8545 1-4 EEL = 5261.0393 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 195 -8.0266E+03 4.9000E-01 7.3485E+00 CG 174 + + BOND = 106.8194 ANGLE = 260.8496 DIHED = 763.8838 + VDWAALS = -1446.5585 EEL = -10918.0444 EGB = -2541.3014 + 1-4 VDW = 486.7938 1-4 EEL = 5260.9499 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 196 -8.0276E+03 4.1220E-01 6.8102E+00 CB 2254 + + BOND = 106.4697 ANGLE = 261.6348 DIHED = 763.6476 + VDWAALS = -1447.1788 EEL = -10917.9563 EGB = -2541.4080 + 1-4 VDW = 486.7116 1-4 EEL = 5260.4396 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 197 -8.0277E+03 4.5771E-01 8.1409E+00 CB 2254 + + BOND = 106.4945 ANGLE = 261.7645 DIHED = 763.6260 + VDWAALS = -1447.2486 EEL = -10917.9476 EGB = -2541.4225 + 1-4 VDW = 486.7032 1-4 EEL = 5260.3788 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 198 -8.0284E+03 5.0677E-01 1.1869E+01 CG 174 + + BOND = 105.7822 ANGLE = 263.5219 DIHED = 763.4069 + VDWAALS = -1447.7493 EEL = -10919.1051 EGB = -2541.1973 + 1-4 VDW = 486.6475 1-4 EEL = 5260.2737 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 199 -8.0284E+03 4.3066E-01 9.1028E+00 CG 174 + + BOND = 105.7919 ANGLE = 263.2417 DIHED = 763.4334 + VDWAALS = -1447.6832 EEL = -10918.9393 EGB = -2541.2275 + 1-4 VDW = 486.6542 1-4 EEL = 5260.2879 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 200 -8.0291E+03 5.1712E-01 8.3810E+00 CG 1464 + + BOND = 105.5006 ANGLE = 264.4267 DIHED = 763.1794 + VDWAALS = -1448.0692 EEL = -10919.9191 EGB = -2541.3126 + 1-4 VDW = 486.6645 1-4 EEL = 5260.4269 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 201 -8.0292E+03 4.9457E-01 7.6233E+00 CG 1464 + + BOND = 105.4862 ANGLE = 264.3749 DIHED = 763.1737 + VDWAALS = -1448.0580 EEL = -10919.9384 EGB = -2541.2946 + 1-4 VDW = 486.6641 1-4 EEL = 5260.4368 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 202 -8.0292E+03 4.6913E-01 6.7599E+00 CG 1464 + + BOND = 105.4719 ANGLE = 264.3126 DIHED = 763.1668 + VDWAALS = -1448.0445 EEL = -10919.9613 EGB = -2541.2734 + 1-4 VDW = 486.6636 1-4 EEL = 5260.4489 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 203 -8.0293E+03 4.4100E-01 5.7938E+00 CG 1464 + + BOND = 105.4586 ANGLE = 264.2379 DIHED = 763.1583 + VDWAALS = -1448.0282 EEL = -10919.9883 EGB = -2541.2487 + 1-4 VDW = 486.6630 1-4 EEL = 5260.4637 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 204 -8.0294E+03 4.1076E-01 4.9546E+00 HB 2255 + + BOND = 105.4476 ANGLE = 264.1485 DIHED = 763.1479 + VDWAALS = -1448.0085 EEL = -10920.0200 EGB = -2541.2201 + 1-4 VDW = 486.6623 1-4 EEL = 5260.4821 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 205 -8.0299E+03 3.7649E-01 7.7290E+00 CG 1464 + + BOND = 105.6880 ANGLE = 263.0272 DIHED = 763.0116 + VDWAALS = -1447.7403 EEL = -10920.4390 EGB = -2540.8535 + 1-4 VDW = 486.6558 1-4 EEL = 5260.7391 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 206 -8.0299E+03 4.1660E-01 9.1446E+00 CG 1464 + + BOND = 105.7597 ANGLE = 262.9111 DIHED = 762.9969 + VDWAALS = -1447.7095 EEL = -10920.4866 EGB = -2540.8120 + 1-4 VDW = 486.6553 1-4 EEL = 5260.7682 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 207 -8.0306E+03 3.5296E-01 6.4990E+00 CB 2254 + + BOND = 105.9108 ANGLE = 261.7536 DIHED = 762.8291 + VDWAALS = -1447.4134 EEL = -10920.8145 EGB = -2540.7046 + 1-4 VDW = 486.6570 1-4 EEL = 5261.1787 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 208 -8.0306E+03 4.3635E-01 8.0573E+00 CG 1464 + + BOND = 106.0583 ANGLE = 261.4733 DIHED = 762.7881 + VDWAALS = -1447.3282 EEL = -10920.9064 EGB = -2540.6753 + 1-4 VDW = 486.6592 1-4 EEL = 5261.2935 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 209 -8.0315E+03 3.6795E-01 4.4443E+00 OD2 2547 + + BOND = 106.0501 ANGLE = 260.6722 DIHED = 762.6071 + VDWAALS = -1446.8489 EEL = -10922.2628 EGB = -2540.2265 + 1-4 VDW = 486.6397 1-4 EEL = 5261.8754 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 210 -8.0315E+03 4.3678E-01 6.7994E+00 CG 174 + + BOND = 106.1390 ANGLE = 260.5520 DIHED = 762.5769 + VDWAALS = -1446.7423 EEL = -10922.5538 EGB = -2540.1312 + 1-4 VDW = 486.6379 1-4 EEL = 5262.0002 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 211 -8.0322E+03 4.7519E-01 8.4085E+00 CB 2254 + + BOND = 106.3438 ANGLE = 259.5268 DIHED = 762.2583 + VDWAALS = -1446.7042 EEL = -10922.7912 EGB = -2539.8356 + 1-4 VDW = 486.8112 1-4 EEL = 5262.2259 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 212 -8.0322E+03 3.5977E-01 7.6994E+00 CB 2254 + + BOND = 106.1772 ANGLE = 259.6922 DIHED = 762.3189 + VDWAALS = -1446.7165 EEL = -10922.7392 EGB = -2539.8990 + 1-4 VDW = 486.7712 1-4 EEL = 5262.1767 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 213 -8.0328E+03 3.0847E-01 4.0176E+00 HB 2255 + + BOND = 105.9619 ANGLE = 259.7342 DIHED = 762.1247 + VDWAALS = -1446.8791 EEL = -10922.9045 EGB = -2539.7819 + 1-4 VDW = 487.0174 1-4 EEL = 5261.9372 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 214 -8.0328E+03 3.7323E-01 5.1791E+00 CG 174 + + BOND = 105.9874 ANGLE = 259.7732 DIHED = 762.0837 + VDWAALS = -1446.9158 EEL = -10922.9450 EGB = -2539.7540 + 1-4 VDW = 487.0785 1-4 EEL = 5261.8792 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 215 -8.0335E+03 3.9215E-01 5.3996E+00 CG 174 + + BOND = 105.3936 ANGLE = 260.6316 DIHED = 761.9984 + VDWAALS = -1447.2911 EEL = -10923.1420 EGB = -2539.8067 + 1-4 VDW = 487.4026 1-4 EEL = 5261.3484 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 216 -8.0335E+03 4.2875E-01 6.4275E+00 CG 174 + + BOND = 105.3708 ANGLE = 260.7320 DIHED = 761.9944 + VDWAALS = -1447.3258 EEL = -10923.1615 EGB = -2539.8122 + 1-4 VDW = 487.4348 1-4 EEL = 5261.2968 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 217 -8.0343E+03 3.3942E-01 4.5405E+00 CG2 2256 + + BOND = 105.0403 ANGLE = 260.9847 DIHED = 761.9564 + VDWAALS = -1447.6960 EEL = -10923.6052 EGB = -2539.4963 + 1-4 VDW = 487.6568 1-4 EEL = 5260.8836 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 218 -8.0343E+03 4.1573E-01 6.8687E+00 CG 174 + + BOND = 105.0492 ANGLE = 261.1127 DIHED = 761.9606 + VDWAALS = -1447.7891 EEL = -10923.7281 EGB = -2539.4111 + 1-4 VDW = 487.7200 1-4 EEL = 5260.7713 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 219 -8.0349E+03 4.7463E-01 9.8947E+00 CG 174 + + BOND = 104.7463 ANGLE = 260.3518 DIHED = 761.8283 + VDWAALS = -1447.8101 EEL = -10923.9433 EGB = -2538.8738 + 1-4 VDW = 487.8700 1-4 EEL = 5260.8915 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 220 -8.0350E+03 3.8206E-01 6.8781E+00 CG 174 + + BOND = 104.7024 ANGLE = 260.4547 DIHED = 761.8458 + VDWAALS = -1447.8118 EEL = -10923.9034 EGB = -2538.9698 + 1-4 VDW = 487.8415 1-4 EEL = 5260.8696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 221 -8.0356E+03 3.5618E-01 6.4994E+00 CG2 2256 + + BOND = 104.6622 ANGLE = 259.6371 DIHED = 761.6920 + VDWAALS = -1447.6243 EEL = -10924.2687 EGB = -2538.6056 + 1-4 VDW = 487.7963 1-4 EEL = 5261.1545 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 222 -8.0356E+03 3.7248E-01 6.7912E+00 CG2 2256 + + BOND = 104.6771 ANGLE = 259.6056 DIHED = 761.6865 + VDWAALS = -1447.6143 EEL = -10924.2863 EGB = -2538.5886 + 1-4 VDW = 487.7944 1-4 EEL = 5261.1680 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 223 -8.0362E+03 3.4346E-01 5.6931E+00 CG 174 + + BOND = 105.0756 ANGLE = 258.7280 DIHED = 761.5713 + VDWAALS = -1447.3266 EEL = -10925.1559 EGB = -2538.1768 + 1-4 VDW = 487.5428 1-4 EEL = 5261.5734 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 224 -8.0362E+03 3.7326E-01 6.8348E+00 CG 174 + + BOND = 105.1421 ANGLE = 258.6632 DIHED = 761.5651 + VDWAALS = -1447.2979 EEL = -10925.2364 EGB = -2538.1395 + 1-4 VDW = 487.5200 1-4 EEL = 5261.6108 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 225 -8.0367E+03 5.3350E-01 7.9236E+00 CG 174 + + BOND = 105.7939 ANGLE = 257.9594 DIHED = 761.3608 + VDWAALS = -1447.1441 EEL = -10926.0734 EGB = -2537.7540 + 1-4 VDW = 487.2821 1-4 EEL = 5261.8591 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 226 -8.0368E+03 5.0290E-01 7.0826E+00 CG 174 + + BOND = 105.7308 ANGLE = 257.9761 DIHED = 761.3554 + VDWAALS = -1447.1448 EEL = -10926.0827 EGB = -2537.7587 + 1-4 VDW = 487.2886 1-4 EEL = 5261.8561 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 227 -8.0368E+03 4.6831E-01 6.1319E+00 CG2 2256 + + BOND = 105.6602 ANGLE = 257.9973 DIHED = 761.3487 + VDWAALS = -1447.1461 EEL = -10926.0938 EGB = -2537.7646 + 1-4 VDW = 487.2964 1-4 EEL = 5261.8519 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 228 -8.0369E+03 4.3012E-01 5.5904E+00 CG2 2256 + + BOND = 105.5825 ANGLE = 258.0244 DIHED = 761.3403 + VDWAALS = -1447.1483 EEL = -10926.1073 EGB = -2537.7718 + 1-4 VDW = 487.3060 1-4 EEL = 5261.8459 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 229 -8.0370E+03 3.8941E-01 4.9460E+00 CG2 2256 + + BOND = 105.4989 ANGLE = 258.0590 DIHED = 761.3296 + VDWAALS = -1447.1522 EEL = -10926.1238 EGB = -2537.7807 + 1-4 VDW = 487.3176 1-4 EEL = 5261.8373 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 230 -8.0374E+03 4.1075E-01 8.0785E+00 CG 174 + + BOND = 104.9945 ANGLE = 258.6165 DIHED = 761.2072 + VDWAALS = -1447.2137 EEL = -10926.3289 EGB = -2537.8937 + 1-4 VDW = 487.4613 1-4 EEL = 5261.7105 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 231 -8.0375E+03 3.5859E-01 6.6443E+00 CG 174 + + BOND = 105.0098 ANGLE = 258.5372 DIHED = 761.2200 + VDWAALS = -1447.2066 EEL = -10926.3044 EGB = -2537.8800 + 1-4 VDW = 487.4439 1-4 EEL = 5261.7257 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 232 -8.0379E+03 2.6327E-01 5.0341E+00 CG2 2256 + + BOND = 104.8282 ANGLE = 259.0605 DIHED = 761.0785 + VDWAALS = -1447.4035 EEL = -10926.5042 EGB = -2537.9805 + 1-4 VDW = 487.5360 1-4 EEL = 5261.4416 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 233 -8.0380E+03 3.4151E-01 6.4340E+00 CG 174 + + BOND = 104.8394 ANGLE = 259.3302 DIHED = 761.0348 + VDWAALS = -1447.4830 EEL = -10926.5870 EGB = -2538.0232 + 1-4 VDW = 487.5756 1-4 EEL = 5261.3239 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 234 -8.0385E+03 3.4869E-01 6.5466E+00 CG 174 + + BOND = 104.9094 ANGLE = 260.0255 DIHED = 760.8894 + VDWAALS = -1447.5893 EEL = -10927.2386 EGB = -2538.0422 + 1-4 VDW = 487.4643 1-4 EEL = 5261.1008 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 235 -8.0385E+03 3.4968E-01 6.5833E+00 CG 174 + + BOND = 104.9105 ANGLE = 260.0279 DIHED = 760.8891 + VDWAALS = -1447.5896 EEL = -10927.2404 EGB = -2538.0423 + 1-4 VDW = 487.4640 1-4 EEL = 5261.1002 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 236 -8.0390E+03 3.4416E-01 5.6801E+00 CG2 2256 + + BOND = 105.0359 ANGLE = 260.4030 DIHED = 760.6695 + VDWAALS = -1447.4896 EEL = -10927.8815 EGB = -2538.0897 + 1-4 VDW = 487.1925 1-4 EEL = 5261.1318 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 237 -8.0390E+03 3.8190E-01 6.8953E+00 CG 174 + + BOND = 105.0893 ANGLE = 260.4604 DIHED = 760.6469 + VDWAALS = -1447.4769 EEL = -10927.9557 EGB = -2538.0953 + 1-4 VDW = 487.1618 1-4 EEL = 5261.1355 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 238 -8.0397E+03 3.1213E-01 4.6777E+00 HB 2255 + + BOND = 105.2641 ANGLE = 259.9017 DIHED = 760.3477 + VDWAALS = -1447.0726 EEL = -10928.5788 EGB = -2537.9030 + 1-4 VDW = 486.7695 1-4 EEL = 5261.5993 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 239 -8.0397E+03 3.5864E-01 5.5094E+00 CG 174 + + BOND = 105.3432 ANGLE = 259.8392 DIHED = 760.3062 + VDWAALS = -1447.0025 EEL = -10928.6828 EGB = -2537.8713 + 1-4 VDW = 486.7054 1-4 EEL = 5261.6769 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 240 -8.0401E+03 4.0943E-01 7.2713E+00 CG 174 + + BOND = 106.1100 ANGLE = 258.7989 DIHED = 760.1274 + VDWAALS = -1446.5566 EEL = -10929.4964 EGB = -2537.4479 + 1-4 VDW = 486.1648 1-4 EEL = 5262.1849 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 241 -8.0401E+03 3.1662E-01 4.6386E+00 CG 174 + + BOND = 105.8786 ANGLE = 258.9796 DIHED = 760.1555 + VDWAALS = -1446.6509 EEL = -10929.3290 EGB = -2537.5346 + 1-4 VDW = 486.2747 1-4 EEL = 5262.0801 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 242 -8.0406E+03 2.7117E-01 6.1177E+00 CB 2254 + + BOND = 105.9575 ANGLE = 258.9553 DIHED = 760.1308 + VDWAALS = -1446.4515 EEL = -10929.8859 EGB = -2537.4440 + 1-4 VDW = 485.9611 1-4 EEL = 5262.2223 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 243 -8.0406E+03 3.0702E-01 7.2126E+00 CB 2254 + + BOND = 106.0042 ANGLE = 258.9650 DIHED = 760.1296 + VDWAALS = -1446.4216 EEL = -10929.9665 EGB = -2537.4311 + 1-4 VDW = 485.9162 1-4 EEL = 5262.2430 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 244 -8.0411E+03 2.8684E-01 4.2864E+00 CB 2254 + + BOND = 105.9529 ANGLE = 259.3520 DIHED = 760.0355 + VDWAALS = -1446.4353 EEL = -10930.3503 EGB = -2537.4134 + 1-4 VDW = 485.7692 1-4 EEL = 5262.0299 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 245 -8.0411E+03 3.7389E-01 5.4250E+00 CG 174 + + BOND = 106.0201 ANGLE = 259.5344 DIHED = 760.0091 + VDWAALS = -1446.4371 EEL = -10930.4876 EGB = -2537.4076 + 1-4 VDW = 485.7180 1-4 EEL = 5261.9539 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 246 -8.0417E+03 3.1922E-01 5.5147E+00 CB 2254 + + BOND = 105.9521 ANGLE = 260.0255 DIHED = 759.8127 + VDWAALS = -1446.8312 EEL = -10930.2392 EGB = -2537.4848 + 1-4 VDW = 485.6114 1-4 EEL = 5261.4603 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 247 -8.0417E+03 3.5440E-01 6.5567E+00 CB 2254 + + BOND = 105.9818 ANGLE = 260.1042 DIHED = 759.7930 + VDWAALS = -1446.8764 EEL = -10930.2096 EGB = -2537.4944 + 1-4 VDW = 485.5995 1-4 EEL = 5261.4020 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 248 -8.0422E+03 3.7993E-01 7.9425E+00 CG 174 + + BOND = 105.6242 ANGLE = 261.2973 DIHED = 759.6311 + VDWAALS = -1447.1855 EEL = -10930.7380 EGB = -2537.3571 + 1-4 VDW = 485.4670 1-4 EEL = 5261.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 249 -8.0422E+03 3.4344E-01 6.6965E+00 CG 174 + + BOND = 105.6225 ANGLE = 261.1749 DIHED = 759.6442 + VDWAALS = -1447.1579 EEL = -10930.6895 EGB = -2537.3694 + 1-4 VDW = 485.4788 1-4 EEL = 5261.0997 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 250 -8.0426E+03 4.4535E-01 6.0143E+00 CG 174 + + BOND = 105.4203 ANGLE = 262.0834 DIHED = 759.4446 + VDWAALS = -1447.4286 EEL = -10931.1775 EGB = -2537.3949 + 1-4 VDW = 485.3984 1-4 EEL = 5261.0290 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 251 -8.0427E+03 4.2065E-01 5.3161E+00 CG 174 + + BOND = 105.4118 ANGLE = 262.0316 DIHED = 759.4388 + VDWAALS = -1447.4183 EEL = -10931.1958 EGB = -2537.3782 + 1-4 VDW = 485.3987 1-4 EEL = 5261.0389 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 252 -8.0427E+03 3.9307E-01 4.5392E+00 CG 1464 + + BOND = 105.4048 ANGLE = 261.9694 DIHED = 759.4317 + VDWAALS = -1447.4058 EEL = -10931.2174 EGB = -2537.3587 + 1-4 VDW = 485.3990 1-4 EEL = 5261.0512 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 253 -8.0428E+03 3.6310E-01 4.1376E+00 HB 2255 + + BOND = 105.4005 ANGLE = 261.8947 DIHED = 759.4230 + VDWAALS = -1447.3908 EEL = -10931.2428 EGB = -2537.3358 + 1-4 VDW = 485.3995 1-4 EEL = 5261.0666 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 254 -8.0429E+03 3.3176E-01 3.9108E+00 HB 2255 + + BOND = 105.4002 ANGLE = 261.8053 DIHED = 759.4125 + VDWAALS = -1447.3728 EEL = -10931.2723 EGB = -2537.3095 + 1-4 VDW = 485.4002 1-4 EEL = 5261.0859 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 255 -8.0432E+03 4.6039E-01 9.3276E+00 CG 174 + + BOND = 105.9380 ANGLE = 260.5193 DIHED = 759.2521 + VDWAALS = -1447.0826 EEL = -10931.7270 EGB = -2536.9149 + 1-4 VDW = 485.4156 1-4 EEL = 5261.4091 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 256 -8.0432E+03 3.3925E-01 6.3948E+00 CG 174 + + BOND = 105.7141 ANGLE = 260.8063 DIHED = 759.2891 + VDWAALS = -1447.1538 EEL = -10931.6166 EGB = -2537.0103 + 1-4 VDW = 485.4113 1-4 EEL = 5261.3307 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 257 -8.0437E+03 2.9225E-01 5.0253E+00 CB 2254 + + BOND = 105.8019 ANGLE = 259.9237 DIHED = 759.1656 + VDWAALS = -1446.9463 EEL = -10931.8477 EGB = -2536.9048 + 1-4 VDW = 485.4345 1-4 EEL = 5261.6946 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 258 -8.0437E+03 3.4610E-01 6.0019E+00 CG 174 + + BOND = 105.8735 ANGLE = 259.7617 DIHED = 759.1429 + VDWAALS = -1446.9019 EEL = -10931.8961 EGB = -2536.8831 + 1-4 VDW = 485.4401 1-4 EEL = 5261.7706 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 259 -8.0442E+03 3.0009E-01 3.8391E+00 CG 174 + + BOND = 105.7888 ANGLE = 259.2125 DIHED = 759.0316 + VDWAALS = -1446.5862 EEL = -10932.7925 EGB = -2536.5504 + 1-4 VDW = 485.4487 1-4 EEL = 5262.2244 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 260 -8.0442E+03 3.4286E-01 5.3819E+00 CG 174 + + BOND = 105.8179 ANGLE = 259.1511 DIHED = 759.0182 + VDWAALS = -1446.5352 EEL = -10932.9332 EGB = -2536.4986 + 1-4 VDW = 485.4512 1-4 EEL = 5262.2956 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 261 -8.0446E+03 3.6312E-01 6.3442E+00 CB 2254 + + BOND = 106.0545 ANGLE = 258.3530 DIHED = 758.8020 + VDWAALS = -1446.6172 EEL = -10932.9146 EGB = -2536.3328 + 1-4 VDW = 485.6089 1-4 EEL = 5262.4116 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 262 -8.0447E+03 2.8236E-01 5.9209E+00 CB 2254 + + BOND = 105.9395 ANGLE = 258.4809 DIHED = 758.8405 + VDWAALS = -1446.6026 EEL = -10932.9183 EGB = -2536.3656 + 1-4 VDW = 485.5761 1-4 EEL = 5262.3883 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 263 -8.0450E+03 2.4358E-01 3.3294E+00 HB 2255 + + BOND = 105.8243 ANGLE = 258.4720 DIHED = 758.6983 + VDWAALS = -1446.7584 EEL = -10932.8838 EGB = -2536.3129 + 1-4 VDW = 485.7833 1-4 EEL = 5262.1639 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 264 -8.0450E+03 2.9580E-01 4.2310E+00 CG 174 + + BOND = 105.8448 ANGLE = 258.4878 DIHED = 758.6669 + VDWAALS = -1446.7957 EEL = -10932.8752 EGB = -2536.3001 + 1-4 VDW = 485.8355 1-4 EEL = 5262.1084 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 265 -8.0454E+03 3.0491E-01 4.2799E+00 HB 2255 + + BOND = 105.3702 ANGLE = 259.1200 DIHED = 758.6138 + VDWAALS = -1447.1191 EEL = -10932.7594 EGB = -2536.4173 + 1-4 VDW = 486.0816 1-4 EEL = 5261.6644 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 266 -8.0455E+03 3.4823E-01 5.4442E+00 CG 174 + + BOND = 105.3315 ANGLE = 259.2324 DIHED = 758.6102 + VDWAALS = -1447.1669 EEL = -10932.7418 EGB = -2536.4354 + 1-4 VDW = 486.1197 1-4 EEL = 5261.5972 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 267 -8.0460E+03 2.7260E-01 3.6461E+00 CG2 2256 + + BOND = 105.1246 ANGLE = 259.3691 DIHED = 758.5882 + VDWAALS = -1447.5206 EEL = -10932.8175 EGB = -2536.2200 + 1-4 VDW = 486.3074 1-4 EEL = 5261.1897 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 268 -8.0460E+03 3.3731E-01 5.6969E+00 CG 174 + + BOND = 105.1330 ANGLE = 259.4498 DIHED = 758.5923 + VDWAALS = -1447.6204 EEL = -10932.8398 EGB = -2536.1575 + 1-4 VDW = 486.3643 1-4 EEL = 5261.0709 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 269 -8.0464E+03 3.8382E-01 7.9389E+00 CG 174 + + BOND = 104.9740 ANGLE = 258.7666 DIHED = 758.4857 + VDWAALS = -1447.7897 EEL = -10932.6105 EGB = -2535.8099 + 1-4 VDW = 486.5237 1-4 EEL = 5261.0426 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 270 -8.0464E+03 3.0917E-01 5.4966E+00 CG 174 + + BOND = 104.9388 ANGLE = 258.8661 DIHED = 758.5003 + VDWAALS = -1447.7612 EEL = -10932.6517 EGB = -2535.8718 + 1-4 VDW = 486.4941 1-4 EEL = 5261.0474 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 271 -8.0468E+03 2.8958E-01 4.9503E+00 CG2 2256 + + BOND = 104.8215 ANGLE = 258.2602 DIHED = 758.3780 + VDWAALS = -1447.7170 EEL = -10932.7275 EGB = -2535.5767 + 1-4 VDW = 486.4842 1-4 EEL = 5261.2520 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 272 -8.0468E+03 3.0720E-01 5.4000E+00 CG 174 + + BOND = 104.8286 ANGLE = 258.2284 DIHED = 758.3720 + VDWAALS = -1447.7137 EEL = -10932.7323 EGB = -2535.5582 + 1-4 VDW = 486.4838 1-4 EEL = 5261.2650 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 273 -8.0473E+03 2.8222E-01 4.3461E+00 CG 174 + + BOND = 105.0288 ANGLE = 257.5362 DIHED = 758.2756 + VDWAALS = -1447.6493 EEL = -10933.0699 EGB = -2535.2421 + 1-4 VDW = 486.3151 1-4 EEL = 5261.5506 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 274 -8.0473E+03 3.1355E-01 5.5007E+00 CG 174 + + BOND = 105.0790 ANGLE = 257.4686 DIHED = 758.2684 + VDWAALS = -1447.6409 EEL = -10933.1100 EGB = -2535.2050 + 1-4 VDW = 486.2954 1-4 EEL = 5261.5847 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 275 -8.0477E+03 4.5376E-01 6.3111E+00 CG 174 + + BOND = 105.6037 ANGLE = 256.9282 DIHED = 758.0992 + VDWAALS = -1447.7464 EEL = -10933.5415 EGB = -2534.8599 + 1-4 VDW = 486.1342 1-4 EEL = 5261.7102 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 276 -8.0477E+03 4.2379E-01 5.5223E+00 CG 174 + + BOND = 105.5474 ANGLE = 256.9456 DIHED = 758.0942 + VDWAALS = -1447.7474 EEL = -10933.5442 EGB = -2534.8671 + 1-4 VDW = 486.1404 1-4 EEL = 5261.7055 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 277 -8.0478E+03 3.9034E-01 4.6353E+00 CG 174 + + BOND = 105.4850 ANGLE = 256.9677 DIHED = 758.0880 + VDWAALS = -1447.7492 EEL = -10933.5476 EGB = -2534.8758 + 1-4 VDW = 486.1480 1-4 EEL = 5261.6992 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 278 -8.0478E+03 3.5414E-01 4.3097E+00 HG21 2257 + + BOND = 105.4173 ANGLE = 256.9958 DIHED = 758.0802 + VDWAALS = -1447.7521 EEL = -10933.5522 EGB = -2534.8863 + 1-4 VDW = 486.1571 1-4 EEL = 5261.6905 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 279 -8.0479E+03 3.1678E-01 4.0690E+00 HG21 2257 + + BOND = 105.3461 ANGLE = 257.0318 DIHED = 758.0702 + VDWAALS = -1447.7568 EEL = -10933.5586 EGB = -2534.8990 + 1-4 VDW = 486.1681 1-4 EEL = 5261.6783 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 280 -8.0482E+03 5.0560E-01 9.6999E+00 CG 174 + + BOND = 104.9539 ANGLE = 257.7605 DIHED = 757.9381 + VDWAALS = -1447.8471 EEL = -10933.6713 EGB = -2535.0888 + 1-4 VDW = 486.3319 1-4 EEL = 5261.4657 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 281 -8.0482E+03 3.1297E-01 5.4463E+00 CG 174 + + BOND = 104.9631 ANGLE = 257.4710 DIHED = 757.9767 + VDWAALS = -1447.8169 EEL = -10933.6324 EGB = -2535.0229 + 1-4 VDW = 486.2748 1-4 EEL = 5261.5389 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 282 -8.0486E+03 2.4563E-01 4.4184E+00 CG2 2256 + + BOND = 104.8955 ANGLE = 257.9967 DIHED = 757.8567 + VDWAALS = -1448.0061 EEL = -10933.8244 EGB = -2535.1195 + 1-4 VDW = 486.3398 1-4 EEL = 5261.2332 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 283 -8.0486E+03 2.9033E-01 5.2535E+00 CG 174 + + BOND = 104.9189 ANGLE = 258.1316 DIHED = 757.8380 + VDWAALS = -1448.0454 EEL = -10933.8652 EGB = -2535.1405 + 1-4 VDW = 486.3543 1-4 EEL = 5261.1683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 284 -8.0490E+03 2.8666E-01 5.1119E+00 CG 174 + + BOND = 105.0441 ANGLE = 258.6486 DIHED = 757.7326 + VDWAALS = -1448.1291 EEL = -10934.3354 EGB = -2535.1878 + 1-4 VDW = 486.2414 1-4 EEL = 5260.9862 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 285 -8.0490E+03 3.0232E-01 5.6939E+00 CG 174 + + BOND = 105.0634 ANGLE = 258.6829 DIHED = 757.7278 + VDWAALS = -1448.1334 EEL = -10934.3618 EGB = -2535.1906 + 1-4 VDW = 486.2353 1-4 EEL = 5260.9760 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 286 -8.0494E+03 2.9135E-01 4.6420E+00 CG 174 + + BOND = 105.1242 ANGLE = 258.9722 DIHED = 757.5504 + VDWAALS = -1448.0437 EEL = -10934.8772 EGB = -2535.2027 + 1-4 VDW = 486.0027 1-4 EEL = 5261.0589 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 287 -8.0494E+03 3.3532E-01 6.3300E+00 CG 174 + + BOND = 105.1737 ANGLE = 259.0343 DIHED = 757.5245 + VDWAALS = -1448.0278 EEL = -10934.9612 EGB = -2535.2048 + 1-4 VDW = 485.9655 1-4 EEL = 5261.0724 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 288 -8.0499E+03 2.7270E-01 4.1731E+00 HB 2255 + + BOND = 105.2921 ANGLE = 258.5620 DIHED = 757.2809 + VDWAALS = -1447.7015 EEL = -10935.4770 EGB = -2535.0174 + 1-4 VDW = 485.6331 1-4 EEL = 5261.5233 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 289 -8.0499E+03 3.0856E-01 5.0705E+00 CG 174 + + BOND = 105.3429 ANGLE = 258.5133 DIHED = 757.2513 + VDWAALS = -1447.6522 EEL = -10935.5521 EGB = -2534.9904 + 1-4 VDW = 485.5858 1-4 EEL = 5261.5891 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 290 -8.0502E+03 3.4395E-01 6.4658E+00 CG 174 + + BOND = 105.9716 ANGLE = 257.7122 DIHED = 757.1213 + VDWAALS = -1447.3580 EEL = -10936.2292 EGB = -2534.6090 + 1-4 VDW = 485.1608 1-4 EEL = 5262.0013 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 291 -8.0502E+03 2.7045E-01 4.2206E+00 CG 174 + + BOND = 105.7986 ANGLE = 257.8456 DIHED = 757.1408 + VDWAALS = -1447.4168 EEL = -10936.0975 EGB = -2534.6828 + 1-4 VDW = 485.2425 1-4 EEL = 5261.9210 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 292 -8.0505E+03 2.3327E-01 5.2286E+00 CB 2254 + + BOND = 105.7996 ANGLE = 257.9258 DIHED = 757.1284 + VDWAALS = -1447.2977 EEL = -10936.5378 EGB = -2534.5940 + 1-4 VDW = 484.9976 1-4 EEL = 5262.0305 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 293 -8.0506E+03 2.6879E-01 6.2340E+00 CB 2254 + + BOND = 105.8296 ANGLE = 257.9505 DIHED = 757.1283 + VDWAALS = -1447.2769 EEL = -10936.6121 EGB = -2534.5791 + 1-4 VDW = 484.9567 1-4 EEL = 5262.0490 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 294 -8.0509E+03 2.4906E-01 3.3539E+00 CB 2254 + + BOND = 105.7282 ANGLE = 258.3324 DIHED = 757.0455 + VDWAALS = -1447.3262 EEL = -10936.8517 EGB = -2534.5624 + 1-4 VDW = 484.8352 1-4 EEL = 5261.8608 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 295 -8.0510E+03 3.2351E-01 4.6620E+00 CG 174 + + BOND = 105.7565 ANGLE = 258.5018 DIHED = 757.0221 + VDWAALS = -1447.3415 EEL = -10936.9363 EGB = -2534.5570 + 1-4 VDW = 484.7934 1-4 EEL = 5261.7946 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 296 -8.0514E+03 2.8726E-01 5.0898E+00 CB 2254 + + BOND = 105.7686 ANGLE = 258.9161 DIHED = 756.8567 + VDWAALS = -1447.7062 EEL = -10936.7029 EGB = -2534.5961 + 1-4 VDW = 484.7038 1-4 EEL = 5261.3542 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 297 -8.0514E+03 3.0451E-01 5.5536E+00 CB 2254 + + BOND = 105.7846 ANGLE = 258.9503 DIHED = 756.8478 + VDWAALS = -1447.7284 EEL = -10936.6883 EGB = -2534.5987 + 1-4 VDW = 484.6985 1-4 EEL = 5261.3268 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 298 -8.0518E+03 3.1406E-01 7.1322E+00 CG 2018 + + BOND = 105.5428 ANGLE = 259.9051 DIHED = 756.7402 + VDWAALS = -1448.0042 EEL = -10937.0446 EGB = -2534.5253 + 1-4 VDW = 484.5824 1-4 EEL = 5261.0233 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 299 -8.0518E+03 2.9752E-01 6.4955E+00 CG 2018 + + BOND = 105.5412 ANGLE = 259.8509 DIHED = 756.7450 + VDWAALS = -1447.9904 EEL = -10937.0263 EGB = -2534.5289 + 1-4 VDW = 484.5882 1-4 EEL = 5261.0388 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 300 -8.0521E+03 3.9829E-01 6.6898E+00 CG 2018 + + BOND = 105.3660 ANGLE = 260.5433 DIHED = 756.5969 + VDWAALS = -1448.2111 EEL = -10937.4319 EGB = -2534.4973 + 1-4 VDW = 484.5072 1-4 EEL = 5260.9944 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 301 -8.0522E+03 3.7289E-01 5.8612E+00 CG 2018 + + BOND = 105.3611 ANGLE = 260.4925 DIHED = 756.5911 + VDWAALS = -1448.2021 EEL = -10937.4464 EGB = -2534.4834 + 1-4 VDW = 484.5079 1-4 EEL = 5261.0039 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 302 -8.0522E+03 3.4481E-01 4.9333E+00 CG 2018 + + BOND = 105.3584 ANGLE = 260.4314 DIHED = 756.5842 + VDWAALS = -1448.1913 EEL = -10937.4637 EGB = -2534.4670 + 1-4 VDW = 484.5088 1-4 EEL = 5261.0159 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 303 -8.0523E+03 3.1477E-01 3.9241E+00 CG 2018 + + BOND = 105.3591 ANGLE = 260.3581 DIHED = 756.5757 + VDWAALS = -1448.1782 EEL = -10937.4843 EGB = -2534.4477 + 1-4 VDW = 484.5101 1-4 EEL = 5261.0311 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 304 -8.0523E+03 2.8416E-01 3.5304E+00 HG21 2257 + + BOND = 105.3644 ANGLE = 260.2707 DIHED = 756.5654 + VDWAALS = -1448.1624 EEL = -10937.5086 EGB = -2534.4252 + 1-4 VDW = 484.5117 1-4 EEL = 5261.0505 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 305 -8.0525E+03 5.3901E-01 1.2514E+01 CG 2018 + + BOND = 106.1231 ANGLE = 258.8702 DIHED = 756.3910 + VDWAALS = -1447.8699 EEL = -10937.9493 EGB = -2534.0361 + 1-4 VDW = 484.5471 1-4 EEL = 5261.4298 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 306 -8.0526E+03 2.9980E-01 6.2883E+00 CG 2018 + + BOND = 105.6630 ANGLE = 259.3927 DIHED = 756.4579 + VDWAALS = -1447.9893 EEL = -10937.7710 EGB = -2534.1929 + 1-4 VDW = 484.5318 1-4 EEL = 5261.2764 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 307 -8.0530E+03 2.6027E-01 4.1447E+00 CB 2254 + + BOND = 105.7054 ANGLE = 258.6798 DIHED = 756.3640 + VDWAALS = -1447.8223 EEL = -10938.0272 EGB = -2534.0658 + 1-4 VDW = 484.5628 1-4 EEL = 5261.6235 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 308 -8.0530E+03 3.0386E-01 5.7006E+00 CG 2018 + + BOND = 105.7507 ANGLE = 258.5621 DIHED = 756.3486 + VDWAALS = -1447.7903 EEL = -10938.0753 EGB = -2534.0423 + 1-4 VDW = 484.5692 1-4 EEL = 5261.6885 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 309 -8.0534E+03 2.6489E-01 3.5005E+00 CG 174 + + BOND = 105.6432 ANGLE = 258.1450 DIHED = 756.2793 + VDWAALS = -1447.5650 EEL = -10938.7998 EGB = -2533.7674 + 1-4 VDW = 484.5945 1-4 EEL = 5262.0760 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 310 -8.0534E+03 2.9902E-01 4.7103E+00 CG 174 + + BOND = 105.6571 ANGLE = 258.1038 DIHED = 756.2724 + VDWAALS = -1447.5324 EEL = -10938.9015 EGB = -2533.7290 + 1-4 VDW = 484.5988 1-4 EEL = 5262.1305 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 311 -8.0537E+03 3.1459E-01 5.2204E+00 CB 2254 + + BOND = 105.8829 ANGLE = 257.4402 DIHED = 756.1156 + VDWAALS = -1447.6422 EEL = -10938.8917 EGB = -2533.5846 + 1-4 VDW = 484.7531 1-4 EEL = 5262.2211 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 312 -8.0537E+03 2.4688E-01 4.9628E+00 CB 2254 + + BOND = 105.7894 ANGLE = 257.5461 DIHED = 756.1426 + VDWAALS = -1447.6222 EEL = -10938.8936 EGB = -2533.6124 + 1-4 VDW = 484.7223 1-4 EEL = 5262.2035 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 313 -8.0540E+03 2.1418E-01 3.0682E+00 HB 2255 + + BOND = 105.7036 ANGLE = 257.5358 DIHED = 756.0331 + VDWAALS = -1447.7623 EEL = -10938.8533 EGB = -2533.5747 + 1-4 VDW = 484.9085 1-4 EEL = 5262.0156 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 314 -8.0540E+03 2.6205E-01 3.8886E+00 CG 174 + + BOND = 105.7205 ANGLE = 257.5473 DIHED = 756.0078 + VDWAALS = -1447.7976 EEL = -10938.8429 EGB = -2533.5652 + 1-4 VDW = 484.9575 1-4 EEL = 5261.9670 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 315 -8.0543E+03 2.6268E-01 3.7491E+00 HB 2255 + + BOND = 105.3120 ANGLE = 258.0604 DIHED = 755.9781 + VDWAALS = -1448.0796 EEL = -10938.7191 EGB = -2533.6653 + 1-4 VDW = 485.1679 1-4 EEL = 5261.6066 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 316 -8.0543E+03 3.1369E-01 5.2221E+00 CG 174 + + BOND = 105.2604 ANGLE = 258.1877 DIHED = 755.9767 + VDWAALS = -1448.1383 EEL = -10938.6928 EGB = -2533.6869 + 1-4 VDW = 485.2135 1-4 EEL = 5261.5301 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 317 -8.0548E+03 2.4518E-01 3.1949E+00 CG2 2256 + + BOND = 105.1261 ANGLE = 258.2510 DIHED = 755.9777 + VDWAALS = -1448.4468 EEL = -10938.7756 EGB = -2533.4691 + 1-4 VDW = 485.3856 1-4 EEL = 5261.1816 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 318 -8.0548E+03 2.9918E-01 5.2728E+00 CG 174 + + BOND = 105.1416 ANGLE = 258.2975 DIHED = 755.9858 + VDWAALS = -1448.5265 EEL = -10938.7978 EGB = -2533.4113 + 1-4 VDW = 485.4331 1-4 EEL = 5261.0888 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 319 -8.0551E+03 3.3343E-01 7.0281E+00 CG 174 + + BOND = 105.0497 ANGLE = 257.6529 DIHED = 755.9159 + VDWAALS = -1448.6861 EEL = -10938.5828 EGB = -2533.1282 + 1-4 VDW = 485.5869 1-4 EEL = 5261.0837 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 320 -8.0551E+03 2.7106E-01 4.9080E+00 CG 174 + + BOND = 105.0184 ANGLE = 257.7469 DIHED = 755.9246 + VDWAALS = -1448.6599 EEL = -10938.6199 EGB = -2533.1767 + 1-4 VDW = 485.5596 1-4 EEL = 5261.0844 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 321 -8.0554E+03 2.5185E-01 4.1155E+00 CG2 2256 + + BOND = 104.8850 ANGLE = 257.2398 DIHED = 755.8364 + VDWAALS = -1448.6134 EEL = -10938.7499 EGB = -2532.8899 + 1-4 VDW = 485.5656 1-4 EEL = 5261.3054 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 322 -8.0554E+03 2.7221E-01 4.7249E+00 CG 174 + + BOND = 104.8883 ANGLE = 257.2035 DIHED = 755.8306 + VDWAALS = -1448.6090 EEL = -10938.7609 EGB = -2532.8658 + 1-4 VDW = 485.5664 1-4 EEL = 5261.3242 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 323 -8.0558E+03 2.4742E-01 3.5853E+00 CG 174 + + BOND = 105.0150 ANGLE = 256.6081 DIHED = 755.7654 + VDWAALS = -1448.5726 EEL = -10939.0370 EGB = -2532.5909 + 1-4 VDW = 485.4412 1-4 EEL = 5261.6084 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 324 -8.0558E+03 2.7882E-01 4.7236E+00 CG 174 + + BOND = 105.0562 ANGLE = 256.5396 DIHED = 755.7604 + VDWAALS = -1448.5670 EEL = -10939.0749 EGB = -2532.5536 + 1-4 VDW = 485.4243 1-4 EEL = 5261.6475 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 325 -8.0561E+03 4.0624E-01 5.3824E+00 CG 174 + + BOND = 105.4850 ANGLE = 256.1042 DIHED = 755.6366 + VDWAALS = -1448.6692 EEL = -10939.5555 EGB = -2532.2007 + 1-4 VDW = 485.3048 1-4 EEL = 5261.7857 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 326 -8.0562E+03 3.7626E-01 4.6255E+00 CG 174 + + BOND = 105.4330 ANGLE = 256.1223 DIHED = 755.6319 + VDWAALS = -1448.6710 EEL = -10939.5533 EGB = -2532.2102 + 1-4 VDW = 485.3109 1-4 EEL = 5261.7796 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 327 -8.0562E+03 3.4313E-01 3.9136E+00 HG21 2257 + + BOND = 105.3759 ANGLE = 256.1453 DIHED = 755.6260 + VDWAALS = -1448.6736 EEL = -10939.5513 EGB = -2532.2215 + 1-4 VDW = 485.3182 1-4 EEL = 5261.7715 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 328 -8.0563E+03 3.0789E-01 3.7187E+00 HG21 2257 + + BOND = 105.3147 ANGLE = 256.1748 DIHED = 755.6185 + VDWAALS = -1448.6775 EEL = -10939.5499 EGB = -2532.2348 + 1-4 VDW = 485.3270 1-4 EEL = 5261.7606 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 329 -8.0563E+03 2.7252E-01 3.4827E+00 HG21 2257 + + BOND = 105.2516 ANGLE = 256.2124 DIHED = 755.6090 + VDWAALS = -1448.6834 EEL = -10939.5500 EGB = -2532.2503 + 1-4 VDW = 485.3374 1-4 EEL = 5261.7457 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 330 -8.0564E+03 5.8281E-01 1.0391E+01 CG 174 + + BOND = 104.9771 ANGLE = 257.1059 DIHED = 755.4729 + VDWAALS = -1448.8067 EEL = -10939.5919 EGB = -2532.5087 + 1-4 VDW = 485.5144 1-4 EEL = 5261.4506 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 331 -8.0566E+03 2.8202E-01 4.6056E+00 CG 174 + + BOND = 104.9387 ANGLE = 256.6321 DIHED = 755.5258 + VDWAALS = -1448.7502 EEL = -10939.5722 EGB = -2532.3867 + 1-4 VDW = 485.4304 1-4 EEL = 5261.5890 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 332 -8.0569E+03 2.2606E-01 3.7544E+00 CG2 2256 + + BOND = 104.9310 ANGLE = 257.1249 DIHED = 755.4265 + VDWAALS = -1448.9121 EEL = -10939.7811 EGB = -2532.4555 + 1-4 VDW = 485.4719 1-4 EEL = 5261.2976 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 333 -8.0569E+03 2.5664E-01 4.4471E+00 CG 174 + + BOND = 104.9521 ANGLE = 257.2127 DIHED = 755.4156 + VDWAALS = -1448.9360 EEL = -10939.8126 EGB = -2532.4661 + 1-4 VDW = 485.4785 1-4 EEL = 5261.2537 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 334 -8.0572E+03 2.4610E-01 4.1535E+00 CG 174 + + BOND = 105.0735 ANGLE = 257.6311 DIHED = 755.3356 + VDWAALS = -1449.0007 EEL = -10940.1762 EGB = -2532.5235 + 1-4 VDW = 485.3699 1-4 EEL = 5261.1052 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 335 -8.0572E+03 2.7062E-01 5.0570E+00 CG 174 + + BOND = 105.1036 ANGLE = 257.6827 DIHED = 755.3288 + VDWAALS = -1449.0070 EEL = -10940.2144 EGB = -2532.5296 + 1-4 VDW = 485.3588 1-4 EEL = 5261.0896 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 336 -8.0575E+03 2.5748E-01 4.0955E+00 CG 174 + + BOND = 105.1259 ANGLE = 257.9203 DIHED = 755.1827 + VDWAALS = -1448.9057 EEL = -10940.7013 EGB = -2532.5012 + 1-4 VDW = 485.1530 1-4 EEL = 5261.2029 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 337 -8.0575E+03 3.0373E-01 5.9058E+00 CG 174 + + BOND = 105.1679 ANGLE = 257.9818 DIHED = 755.1570 + VDWAALS = -1448.8844 EEL = -10940.7976 EGB = -2532.4958 + 1-4 VDW = 485.1131 1-4 EEL = 5261.2253 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 338 -8.0579E+03 2.4642E-01 3.7589E+00 HB 2255 + + BOND = 105.2763 ANGLE = 257.5487 DIHED = 754.9576 + VDWAALS = -1448.5916 EEL = -10941.2683 EGB = -2532.3167 + 1-4 VDW = 484.8221 1-4 EEL = 5261.6515 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 339 -8.0579E+03 2.7520E-01 4.7979E+00 CG 174 + + BOND = 105.3145 ANGLE = 257.5074 DIHED = 754.9364 + VDWAALS = -1448.5528 EEL = -10941.3285 EGB = -2532.2940 + 1-4 VDW = 484.7856 1-4 EEL = 5261.7060 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 340 -8.0582E+03 3.0109E-01 5.9564E+00 CG 174 + + BOND = 105.8511 ANGLE = 256.8537 DIHED = 754.8445 + VDWAALS = -1448.3118 EEL = -10941.9663 EGB = -2531.9385 + 1-4 VDW = 484.4307 1-4 EEL = 5262.0610 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 341 -8.0582E+03 2.3913E-01 3.9393E+00 CG 174 + + BOND = 105.7120 ANGLE = 256.9597 DIHED = 754.8575 + VDWAALS = -1448.3581 EEL = -10941.8467 EGB = -2532.0049 + 1-4 VDW = 484.4965 1-4 EEL = 5261.9944 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 342 -8.0584E+03 2.0703E-01 4.6030E+00 CB 2254 + + BOND = 105.6732 ANGLE = 257.0808 DIHED = 754.8549 + VDWAALS = -1448.2665 EEL = -10942.2306 EGB = -2531.9218 + 1-4 VDW = 484.2979 1-4 EEL = 5262.0884 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 343 -8.0584E+03 2.4204E-01 5.5300E+00 CB 2254 + + BOND = 105.6917 ANGLE = 257.1136 DIHED = 754.8560 + VDWAALS = -1448.2485 EEL = -10942.3033 EGB = -2531.9061 + 1-4 VDW = 484.2607 1-4 EEL = 5262.1063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 344 -8.0587E+03 2.1958E-01 2.7844E+00 CB 2254 + + BOND = 105.5825 ANGLE = 257.4597 DIHED = 754.7870 + VDWAALS = -1448.2963 EEL = -10942.5057 EGB = -2531.8821 + 1-4 VDW = 484.1630 1-4 EEL = 5261.9537 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 345 -8.0588E+03 2.8817E-01 4.1892E+00 CG 174 + + BOND = 105.5953 ANGLE = 257.6195 DIHED = 754.7660 + VDWAALS = -1448.3124 EEL = -10942.5818 EGB = -2531.8735 + 1-4 VDW = 484.1272 1-4 EEL = 5261.8965 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 346 -8.0591E+03 2.6291E-01 4.9096E+00 CG 2018 + + BOND = 105.6329 ANGLE = 257.9805 DIHED = 754.6310 + VDWAALS = -1448.6128 EEL = -10942.4438 EGB = -2531.8772 + 1-4 VDW = 484.0536 1-4 EEL = 5261.5273 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 347 -8.0591E+03 2.7058E-01 5.1562E+00 CG 2018 + + BOND = 105.6399 ANGLE = 257.9945 DIHED = 754.6275 + VDWAALS = -1448.6215 EEL = -10942.4397 EGB = -2531.8774 + 1-4 VDW = 484.0515 1-4 EEL = 5261.5164 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 348 -8.0594E+03 2.7385E-01 6.7982E+00 CG 2018 + + BOND = 105.4469 ANGLE = 258.7995 DIHED = 754.5562 + VDWAALS = -1448.8446 EEL = -10942.7572 EGB = -2531.8231 + 1-4 VDW = 483.9525 1-4 EEL = 5261.2628 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 349 -8.0594E+03 2.6547E-01 6.4375E+00 CG 2018 + + BOND = 105.4463 ANGLE = 258.7728 DIHED = 754.5580 + VDWAALS = -1448.8380 EEL = -10942.7476 EGB = -2531.8247 + 1-4 VDW = 483.9554 1-4 EEL = 5261.2704 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 350 -8.0597E+03 3.6008E-01 6.8870E+00 CG 2018 + + BOND = 105.2978 ANGLE = 259.3242 DIHED = 754.4482 + VDWAALS = -1448.9907 EEL = -10943.1870 EGB = -2531.7366 + 1-4 VDW = 483.8809 1-4 EEL = 5261.2604 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 351 -8.0597E+03 3.3437E-01 5.9314E+00 CG 2018 + + BOND = 105.2957 ANGLE = 259.2746 DIHED = 754.4427 + VDWAALS = -1448.9831 EEL = -10943.1970 EGB = -2531.7256 + 1-4 VDW = 483.8819 1-4 EEL = 5261.2690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 352 -8.0598E+03 3.0625E-01 4.8711E+00 CG 2018 + + BOND = 105.2962 ANGLE = 259.2149 DIHED = 754.4360 + VDWAALS = -1448.9739 EEL = -10943.2091 EGB = -2531.7124 + 1-4 VDW = 483.8832 1-4 EEL = 5261.2801 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 353 -8.0598E+03 2.7667E-01 3.7358E+00 CG 2018 + + BOND = 105.3006 ANGLE = 259.1434 DIHED = 754.4278 + VDWAALS = -1448.9626 EEL = -10943.2240 EGB = -2531.6967 + 1-4 VDW = 483.8848 1-4 EEL = 5261.2945 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 354 -8.0599E+03 2.4734E-01 3.1765E+00 HG21 2257 + + BOND = 105.3098 ANGLE = 259.0585 DIHED = 754.4180 + VDWAALS = -1448.9487 EEL = -10943.2425 EGB = -2531.6780 + 1-4 VDW = 483.8870 1-4 EEL = 5261.3132 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 355 -8.0599E+03 6.1036E-01 1.5640E+01 CG 2018 + + BOND = 106.2738 ANGLE = 257.5555 DIHED = 754.2352 + VDWAALS = -1448.6532 EEL = -10943.6430 EGB = -2531.3031 + 1-4 VDW = 483.9385 1-4 EEL = 5261.7356 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 356 -8.0601E+03 2.7053E-01 6.3244E+00 CG 2018 + + BOND = 105.5910 ANGLE = 258.2652 DIHED = 754.3234 + VDWAALS = -1448.8056 EEL = -10943.4382 EGB = -2531.4940 + 1-4 VDW = 483.9109 1-4 EEL = 5261.5198 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 357 -8.0604E+03 2.3770E-01 4.3382E+00 CG 2018 + + BOND = 105.6057 ANGLE = 257.6723 DIHED = 754.2520 + VDWAALS = -1448.6570 EEL = -10943.7147 EGB = -2531.3510 + 1-4 VDW = 483.9431 1-4 EEL = 5261.8406 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 358 -8.0604E+03 2.7305E-01 6.0831E+00 CG 2018 + + BOND = 105.6347 ANGLE = 257.5867 DIHED = 754.2419 + VDWAALS = -1448.6321 EEL = -10943.7601 EGB = -2531.3278 + 1-4 VDW = 483.9487 1-4 EEL = 5261.8931 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 359 -8.0607E+03 2.3726E-01 3.1743E+00 CG 174 + + BOND = 105.5343 ANGLE = 257.2504 DIHED = 754.1998 + VDWAALS = -1448.4662 EEL = -10944.3467 EGB = -2531.1032 + 1-4 VDW = 483.9811 1-4 EEL = 5262.2115 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 360 -8.0607E+03 2.6621E-01 4.1927E+00 CG 174 + + BOND = 105.5428 ANGLE = 257.2193 DIHED = 754.1964 + VDWAALS = -1448.4435 EEL = -10944.4245 EGB = -2531.0736 + 1-4 VDW = 483.9860 1-4 EEL = 5262.2537 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 361 -8.0610E+03 2.7953E-01 4.3933E+00 CG 174 + + BOND = 105.7527 ANGLE = 256.6614 DIHED = 754.0789 + VDWAALS = -1448.5519 EEL = -10944.4286 EGB = -2530.9446 + 1-4 VDW = 484.1321 1-4 EEL = 5262.3156 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 362 -8.0610E+03 2.2029E-01 4.2483E+00 CB 2254 + + BOND = 105.6737 ANGLE = 256.7508 DIHED = 754.0988 + VDWAALS = -1448.5322 EEL = -10944.4278 EGB = -2530.9691 + 1-4 VDW = 484.1035 1-4 EEL = 5262.3037 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 363 -8.0612E+03 1.9142E-01 2.8268E+00 HB 2255 + + BOND = 105.5950 ANGLE = 256.7567 DIHED = 754.0126 + VDWAALS = -1448.6578 EEL = -10944.3839 EGB = -2530.9480 + 1-4 VDW = 484.2706 1-4 EEL = 5262.1412 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 364 -8.0612E+03 2.3700E-01 3.5781E+00 CG 174 + + BOND = 105.6065 ANGLE = 256.7702 DIHED = 753.9912 + VDWAALS = -1448.6920 EEL = -10944.3716 EGB = -2530.9423 + 1-4 VDW = 484.3178 1-4 EEL = 5262.0959 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 365 -8.0615E+03 2.3157E-01 3.3181E+00 HB 2255 + + BOND = 105.2434 ANGLE = 257.2082 DIHED = 753.9753 + VDWAALS = -1448.9381 EEL = -10944.2674 EGB = -2531.0210 + 1-4 VDW = 484.5016 1-4 EEL = 5261.7977 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 366 -8.0615E+03 2.8719E-01 4.9974E+00 CG 174 + + BOND = 105.1809 ANGLE = 257.3453 DIHED = 753.9762 + VDWAALS = -1449.0033 EEL = -10944.2393 EGB = -2531.0427 + 1-4 VDW = 484.5522 1-4 EEL = 5261.7170 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 367 -8.0619E+03 2.2508E-01 3.0475E+00 CG 174 + + BOND = 105.0937 ANGLE = 257.3650 DIHED = 753.9894 + VDWAALS = -1449.2738 EEL = -10944.3289 EGB = -2530.8329 + 1-4 VDW = 484.7125 1-4 EEL = 5261.4151 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 368 -8.0619E+03 2.6915E-01 4.9114E+00 CG 174 + + BOND = 105.1114 ANGLE = 257.3908 DIHED = 753.9980 + VDWAALS = -1449.3345 EEL = -10944.3498 EGB = -2530.7846 + 1-4 VDW = 484.7508 1-4 EEL = 5261.3452 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 369 -8.0621E+03 2.9308E-01 6.2930E+00 CG 174 + + BOND = 105.0507 ANGLE = 256.8004 DIHED = 753.9492 + VDWAALS = -1449.4639 EEL = -10944.1686 EGB = -2530.5528 + 1-4 VDW = 484.8929 1-4 EEL = 5261.3619 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 370 -8.0621E+03 2.4240E-01 4.5013E+00 CG 174 + + BOND = 105.0259 ANGLE = 256.8823 DIHED = 753.9546 + VDWAALS = -1449.4442 EEL = -10944.1976 EGB = -2530.5897 + 1-4 VDW = 484.8696 1-4 EEL = 5261.3591 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 371 -8.0624E+03 2.2413E-01 3.5982E+00 CG 2018 + + BOND = 104.9008 ANGLE = 256.4382 DIHED = 753.8885 + VDWAALS = -1449.3870 EEL = -10944.3523 EGB = -2530.3232 + 1-4 VDW = 484.8819 1-4 EEL = 5261.5734 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 372 -8.0624E+03 2.4607E-01 4.3474E+00 CG 2018 + + BOND = 104.9019 ANGLE = 256.3987 DIHED = 753.8834 + VDWAALS = -1449.3806 EEL = -10944.3684 EGB = -2530.2957 + 1-4 VDW = 484.8833 1-4 EEL = 5261.5957 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 373 -8.0627E+03 2.2012E-01 3.0483E+00 CG 174 + + BOND = 105.0011 ANGLE = 255.8688 DIHED = 753.8404 + VDWAALS = -1449.3483 EEL = -10944.5997 EGB = -2530.0596 + 1-4 VDW = 484.7833 1-4 EEL = 5261.8545 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 374 -8.0627E+03 2.5202E-01 4.2147E+00 CG 174 + + BOND = 105.0393 ANGLE = 255.7968 DIHED = 753.8373 + VDWAALS = -1449.3426 EEL = -10944.6366 EGB = -2530.0225 + 1-4 VDW = 484.7677 1-4 EEL = 5261.8958 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 375 -8.0630E+03 3.6836E-01 4.9702E+00 CG 2018 + + BOND = 105.3988 ANGLE = 255.4369 DIHED = 753.7441 + VDWAALS = -1449.4183 EEL = -10945.1241 EGB = -2529.6845 + 1-4 VDW = 484.6707 1-4 EEL = 5262.0182 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 376 -8.0630E+03 3.3833E-01 4.2255E+00 CG 2018 + + BOND = 105.3505 ANGLE = 255.4556 DIHED = 753.7395 + VDWAALS = -1449.4209 EEL = -10945.1184 EGB = -2529.6957 + 1-4 VDW = 484.6766 1-4 EEL = 5262.0111 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 377 -8.0630E+03 3.0551E-01 3.4810E+00 HG21 2257 + + BOND = 105.2980 ANGLE = 255.4797 DIHED = 753.7337 + VDWAALS = -1449.4245 EEL = -10945.1125 EGB = -2529.7089 + 1-4 VDW = 484.6836 1-4 EEL = 5262.0019 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 378 -8.0631E+03 2.7122E-01 3.2874E+00 HG21 2257 + + BOND = 105.2426 ANGLE = 255.5105 DIHED = 753.7264 + VDWAALS = -1449.4295 EEL = -10945.1069 EGB = -2529.7242 + 1-4 VDW = 484.6919 1-4 EEL = 5261.9895 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 379 -8.0632E+03 2.3785E-01 3.0537E+00 HG21 2257 + + BOND = 105.1865 ANGLE = 255.5499 DIHED = 753.7170 + VDWAALS = -1449.4367 EEL = -10945.1029 EGB = -2529.7416 + 1-4 VDW = 484.7017 1-4 EEL = 5261.9727 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 380 -8.0630E+03 6.5002E-01 1.0911E+01 CG 2018 + + BOND = 105.0346 ANGLE = 256.6291 DIHED = 753.5769 + VDWAALS = -1449.5974 EEL = -10945.0966 EGB = -2530.0607 + 1-4 VDW = 484.8857 1-4 EEL = 5261.5988 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 381 -8.0634E+03 2.5729E-01 3.9995E+00 CG 174 + + BOND = 104.9264 ANGLE = 255.9616 DIHED = 753.6397 + VDWAALS = -1449.5098 EEL = -10945.1000 EGB = -2529.8825 + 1-4 VDW = 484.7822 1-4 EEL = 5261.8065 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 382 -8.0636E+03 2.0965E-01 3.2317E+00 CG2 2256 + + BOND = 104.9506 ANGLE = 256.4296 DIHED = 753.5557 + VDWAALS = -1449.6474 EEL = -10945.3219 EGB = -2529.9293 + 1-4 VDW = 484.8035 1-4 EEL = 5261.5368 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 383 -8.0636E+03 2.3056E-01 3.8663E+00 CG 2018 + + BOND = 104.9665 ANGLE = 256.4880 DIHED = 753.5491 + VDWAALS = -1449.6618 EEL = -10945.3458 EGB = -2529.9345 + 1-4 VDW = 484.8060 1-4 EEL = 5261.5078 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 384 -8.0639E+03 2.1456E-01 3.3889E+00 CG 174 + + BOND = 105.0635 ANGLE = 256.8431 DIHED = 753.4861 + VDWAALS = -1449.7128 EEL = -10945.6279 EGB = -2529.9968 + 1-4 VDW = 484.7018 1-4 EEL = 5261.3890 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 385 -8.0639E+03 2.4585E-01 4.5370E+00 CG 174 + + BOND = 105.0993 ANGLE = 256.9083 DIHED = 753.4780 + VDWAALS = -1449.7203 EEL = -10945.6726 EGB = -2530.0068 + 1-4 VDW = 484.6856 1-4 EEL = 5261.3702 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 386 -8.0641E+03 2.3123E-01 3.6310E+00 CG 174 + + BOND = 105.0975 ANGLE = 257.1041 DIHED = 753.3544 + VDWAALS = -1449.6090 EEL = -10946.1271 EGB = -2529.9527 + 1-4 VDW = 484.4985 1-4 EEL = 5261.4965 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 387 -8.0641E+03 2.7793E-01 5.4743E+00 CG 174 + + BOND = 105.1319 ANGLE = 257.1619 DIHED = 753.3295 + VDWAALS = -1449.5827 EEL = -10946.2296 EGB = -2529.9406 + 1-4 VDW = 484.4570 1-4 EEL = 5261.5250 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 388 -8.0645E+03 2.2585E-01 3.5311E+00 CG 174 + + BOND = 105.2483 ANGLE = 256.7509 DIHED = 753.1634 + VDWAALS = -1449.3139 EEL = -10946.6407 EGB = -2529.7810 + 1-4 VDW = 484.1936 1-4 EEL = 5261.9132 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 389 -8.0645E+03 2.4734E-01 4.4537E+00 CG 174 + + BOND = 105.2766 ANGLE = 256.7181 DIHED = 753.1493 + VDWAALS = -1449.2855 EEL = -10946.6829 EGB = -2529.7648 + 1-4 VDW = 484.1671 1-4 EEL = 5261.9530 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 390 -8.0647E+03 2.6490E-01 5.3602E+00 CG 174 + + BOND = 105.7365 ANGLE = 256.1834 DIHED = 753.0839 + VDWAALS = -1449.0763 EEL = -10947.2591 EGB = -2529.4499 + 1-4 VDW = 483.8638 1-4 EEL = 5262.2464 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 391 -8.0647E+03 2.1414E-01 3.6400E+00 CG 174 + + BOND = 105.6271 ANGLE = 256.2651 DIHED = 753.0923 + VDWAALS = -1449.1138 EEL = -10947.1581 EGB = -2529.5049 + 1-4 VDW = 483.9165 1-4 EEL = 5262.1949 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 392 -8.0649E+03 1.8632E-01 4.1491E+00 CB 2254 + + BOND = 105.5716 ANGLE = 256.4022 DIHED = 753.0925 + VDWAALS = -1449.0392 EEL = -10947.4747 EGB = -2529.4385 + 1-4 VDW = 483.7498 1-4 EEL = 5262.2668 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 393 -8.0649E+03 2.2078E-01 5.0102E+00 CB 2254 + + BOND = 105.5827 ANGLE = 256.4395 DIHED = 753.0940 + VDWAALS = -1449.0230 EEL = -10947.5409 EGB = -2529.4247 + 1-4 VDW = 483.7153 1-4 EEL = 5262.2819 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 394 -8.0651E+03 1.9515E-01 2.3649E+00 CB 2254 + + BOND = 105.4857 ANGLE = 256.7409 DIHED = 753.0320 + VDWAALS = -1449.0660 EEL = -10947.6962 EGB = -2529.4050 + 1-4 VDW = 483.6332 1-4 EEL = 5262.1472 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 395 -8.0652E+03 2.5980E-01 3.7819E+00 CG 174 + + BOND = 105.4930 ANGLE = 256.8906 DIHED = 753.0111 + VDWAALS = -1449.0819 EEL = -10947.7598 EGB = -2529.3973 + 1-4 VDW = 483.6005 1-4 EEL = 5262.0923 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 396 -8.0654E+03 2.4297E-01 4.7693E+00 CG 2018 + + BOND = 105.5439 ANGLE = 257.2157 DIHED = 752.8958 + VDWAALS = -1449.3309 EEL = -10947.6580 EGB = -2529.3991 + 1-4 VDW = 483.5337 1-4 EEL = 5261.7688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 397 -8.0654E+03 2.4322E-01 4.7774E+00 CG 2018 + + BOND = 105.5441 ANGLE = 257.2161 DIHED = 752.8957 + VDWAALS = -1449.3311 EEL = -10947.6579 EGB = -2529.3991 + 1-4 VDW = 483.5336 1-4 EEL = 5261.7684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 398 -8.0657E+03 2.4271E-01 6.2094E+00 CG 2018 + + BOND = 105.3797 ANGLE = 257.9139 DIHED = 752.8447 + VDWAALS = -1449.5134 EEL = -10947.9269 EGB = -2529.3688 + 1-4 VDW = 483.4446 1-4 EEL = 5261.5528 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 399 -8.0657E+03 2.3965E-01 6.0718E+00 CG 2018 + + BOND = 105.3796 ANGLE = 257.9043 DIHED = 752.8453 + VDWAALS = -1449.5112 EEL = -10947.9235 EGB = -2529.3691 + 1-4 VDW = 483.4457 1-4 EEL = 5261.5555 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 400 -8.0659E+03 3.2859E-01 6.7425E+00 CG 2018 + + BOND = 105.2566 ANGLE = 258.3485 DIHED = 752.7570 + VDWAALS = -1449.6171 EEL = -10948.3464 EGB = -2529.2640 + 1-4 VDW = 483.3765 1-4 EEL = 5261.5611 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 401 -8.0660E+03 3.0249E-01 5.7063E+00 CG 2018 + + BOND = 105.2560 ANGLE = 258.3006 DIHED = 752.7518 + VDWAALS = -1449.6107 EEL = -10948.3525 EGB = -2529.2554 + 1-4 VDW = 483.3777 1-4 EEL = 5261.5689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 402 -8.0660E+03 2.7426E-01 4.5671E+00 CG 2018 + + BOND = 105.2584 ANGLE = 258.2429 DIHED = 752.7455 + VDWAALS = -1449.6028 EEL = -10948.3602 EGB = -2529.2450 + 1-4 VDW = 483.3792 1-4 EEL = 5261.5792 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 403 -8.0660E+03 2.4513E-01 3.3673E+00 CG 2018 + + BOND = 105.2648 ANGLE = 258.1739 DIHED = 752.7378 + VDWAALS = -1449.5929 EEL = -10948.3703 EGB = -2529.2322 + 1-4 VDW = 483.3812 1-4 EEL = 5261.5927 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 404 -8.0661E+03 2.1709E-01 2.8607E+00 HG21 2257 + + BOND = 105.2760 ANGLE = 258.0921 DIHED = 752.7286 + VDWAALS = -1449.5807 EEL = -10948.3837 EGB = -2529.2167 + 1-4 VDW = 483.3837 1-4 EEL = 5261.6105 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 405 -8.0659E+03 6.7601E-01 1.7709E+01 CG 2018 + + BOND = 106.4230 ANGLE = 256.5122 DIHED = 752.5437 + VDWAALS = -1449.2797 EEL = -10948.7421 EGB = -2528.8544 + 1-4 VDW = 483.4517 1-4 EEL = 5262.0731 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 406 -8.0663E+03 2.4633E-01 5.9748E+00 CG 2018 + + BOND = 105.5313 ANGLE = 257.3733 DIHED = 752.6461 + VDWAALS = -1449.4589 EEL = -10948.5306 EGB = -2529.0672 + 1-4 VDW = 483.4100 1-4 EEL = 5261.8005 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 407 -8.0665E+03 2.2037E-01 4.6149E+00 CG 2018 + + BOND = 105.5234 ANGLE = 256.8748 DIHED = 752.5926 + VDWAALS = -1449.3244 EEL = -10948.8057 EGB = -2528.9208 + 1-4 VDW = 483.4426 1-4 EEL = 5262.0901 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 408 -8.0665E+03 2.4800E-01 6.0490E+00 CG 2018 + + BOND = 105.5408 ANGLE = 256.8153 DIHED = 752.5865 + VDWAALS = -1449.3059 EEL = -10948.8430 EGB = -2528.9011 + 1-4 VDW = 483.4473 1-4 EEL = 5262.1293 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 409 -8.0668E+03 2.1366E-01 2.8643E+00 CG 174 + + BOND = 105.4546 ANGLE = 256.5372 DIHED = 752.5622 + VDWAALS = -1449.1849 EEL = -10949.3115 EGB = -2528.7214 + 1-4 VDW = 483.4829 1-4 EEL = 5262.3854 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 410 -8.0668E+03 2.3911E-01 3.9861E+00 CG 2018 + + BOND = 105.4608 ANGLE = 256.5121 DIHED = 752.5608 + VDWAALS = -1449.1687 EEL = -10949.3720 EGB = -2528.6984 + 1-4 VDW = 483.4879 1-4 EEL = 5262.4185 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 411 -8.0670E+03 2.5061E-01 3.9681E+00 CG 174 + + BOND = 105.6483 ANGLE = 256.0467 DIHED = 752.4703 + VDWAALS = -1449.2693 EEL = -10949.3706 EGB = -2528.5947 + 1-4 VDW = 483.6239 1-4 EEL = 5262.4529 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 412 -8.0670E+03 1.9862E-01 3.6512E+00 CB 2254 + + BOND = 105.5823 ANGLE = 256.1207 DIHED = 752.4853 + VDWAALS = -1449.2512 EEL = -10949.3709 EGB = -2528.6140 + 1-4 VDW = 483.5978 1-4 EEL = 5262.4464 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 413 -8.0672E+03 1.7271E-01 2.6193E+00 HB 2255 + + BOND = 105.5048 ANGLE = 256.1428 DIHED = 752.4156 + VDWAALS = -1449.3665 EEL = -10949.3135 EGB = -2528.6106 + 1-4 VDW = 483.7468 1-4 EEL = 5262.3015 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 414 -8.0672E+03 2.1660E-01 3.2653E+00 CG 174 + + BOND = 105.5107 ANGLE = 256.1597 DIHED = 752.3970 + VDWAALS = -1449.4004 EEL = -10949.2962 EGB = -2528.6097 + 1-4 VDW = 483.7921 1-4 EEL = 5262.2579 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 415 -8.0674E+03 2.0686E-01 2.9561E+00 HB 2255 + + BOND = 105.1899 ANGLE = 256.5351 DIHED = 752.3880 + VDWAALS = -1449.6191 EEL = -10949.1944 EGB = -2528.6765 + 1-4 VDW = 483.9526 1-4 EEL = 5262.0029 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 416 -8.0674E+03 2.6436E-01 4.6876E+00 CG 174 + + BOND = 105.1214 ANGLE = 256.6739 DIHED = 752.3904 + VDWAALS = -1449.6879 EEL = -10949.1617 EGB = -2528.6984 + 1-4 VDW = 484.0051 1-4 EEL = 5261.9210 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 417 -8.0677E+03 2.0868E-01 3.0213E+00 CG 174 + + BOND = 105.0719 ANGLE = 256.6589 DIHED = 752.4074 + VDWAALS = -1449.9310 EEL = -10949.2229 EGB = -2528.5157 + 1-4 VDW = 484.1533 1-4 EEL = 5261.6525 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 418 -8.0677E+03 2.4369E-01 4.5096E+00 CG 174 + + BOND = 105.0895 ANGLE = 256.6710 DIHED = 752.4146 + VDWAALS = -1449.9766 EEL = -10949.2348 EGB = -2528.4807 + 1-4 VDW = 484.1827 1-4 EEL = 5261.6007 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 419 -8.0679E+03 2.5951E-01 5.5878E+00 CG 174 + + BOND = 105.0458 ANGLE = 256.1365 DIHED = 752.3759 + VDWAALS = -1450.0801 EEL = -10949.0561 EGB = -2528.3065 + 1-4 VDW = 484.3108 1-4 EEL = 5261.6282 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 420 -8.0680E+03 2.1938E-01 4.1356E+00 CG 174 + + BOND = 105.0272 ANGLE = 256.2043 DIHED = 752.3797 + VDWAALS = -1450.0659 EEL = -10949.0818 EGB = -2528.3314 + 1-4 VDW = 484.2920 1-4 EEL = 5261.6242 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 421 -8.0681E+03 2.0247E-01 3.2332E+00 CG 2018 + + BOND = 104.9172 ANGLE = 255.8040 DIHED = 752.3276 + VDWAALS = -1450.0081 EEL = -10949.2152 EGB = -2528.1013 + 1-4 VDW = 484.3069 1-4 EEL = 5261.8194 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 422 -8.0682E+03 2.2513E-01 4.0003E+00 CG 2018 + + BOND = 104.9172 ANGLE = 255.7623 DIHED = 752.3230 + VDWAALS = -1450.0009 EEL = -10949.2311 EGB = -2528.0740 + 1-4 VDW = 484.3089 1-4 EEL = 5261.8428 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 423 -8.0684E+03 1.9922E-01 2.7742E+00 CG 2018 + + BOND = 105.0009 ANGLE = 255.2852 DIHED = 752.2950 + VDWAALS = -1449.9766 EEL = -10949.3968 EGB = -2527.8854 + 1-4 VDW = 484.2257 1-4 EEL = 5262.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 424 -8.0684E+03 2.3021E-01 3.9386E+00 CG 2018 + + BOND = 105.0354 ANGLE = 255.2140 DIHED = 752.2936 + VDWAALS = -1449.9719 EEL = -10949.4253 EGB = -2527.8533 + 1-4 VDW = 484.2116 1-4 EEL = 5262.1074 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 425 -8.0686E+03 3.3589E-01 4.7831E+00 CG 2018 + + BOND = 105.3314 ANGLE = 254.9216 DIHED = 752.2192 + VDWAALS = -1450.0346 EEL = -10949.8567 EGB = -2527.5610 + 1-4 VDW = 484.1296 1-4 EEL = 5262.2033 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 426 -8.0687E+03 3.0595E-01 3.9973E+00 CG 2018 + + BOND = 105.2870 ANGLE = 254.9406 DIHED = 752.2146 + VDWAALS = -1450.0379 EEL = -10949.8486 EGB = -2527.5732 + 1-4 VDW = 484.1351 1-4 EEL = 5262.1958 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 427 -8.0687E+03 2.7362E-01 3.1380E+00 HG21 2257 + + BOND = 105.2392 ANGLE = 254.9651 DIHED = 752.2088 + VDWAALS = -1450.0422 EEL = -10949.8401 EGB = -2527.5874 + 1-4 VDW = 484.1416 1-4 EEL = 5262.1859 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 428 -8.0688E+03 2.4052E-01 2.9442E+00 HG21 2257 + + BOND = 105.1895 ANGLE = 254.9966 DIHED = 752.2013 + VDWAALS = -1450.0481 EEL = -10949.8320 EGB = -2527.6038 + 1-4 VDW = 484.1492 1-4 EEL = 5262.1726 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 429 -8.0688E+03 2.0939E-01 2.7111E+00 HG21 2257 + + BOND = 105.1403 ANGLE = 255.0370 DIHED = 752.1918 + VDWAALS = -1450.0561 EEL = -10949.8259 EGB = -2527.6220 + 1-4 VDW = 484.1580 1-4 EEL = 5262.1547 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 430 -8.0685E+03 7.0300E-01 1.1841E+01 CG 2018 + + BOND = 105.1202 ANGLE = 256.3071 DIHED = 752.0456 + VDWAALS = -1450.2523 EEL = -10949.7972 EGB = -2527.9879 + 1-4 VDW = 484.3392 1-4 EEL = 5261.7068 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 431 -8.0690E+03 2.3669E-01 3.6910E+00 CG 2018 + + BOND = 104.9260 ANGLE = 255.4439 DIHED = 752.1164 + VDWAALS = -1450.1334 EEL = -10949.8148 EGB = -2527.7610 + 1-4 VDW = 484.2259 1-4 EEL = 5261.9830 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 432 -8.0692E+03 1.9983E-01 3.3044E+00 CG 2018 + + BOND = 104.9743 ANGLE = 255.8952 DIHED = 752.0424 + VDWAALS = -1450.2521 EEL = -10950.0454 EGB = -2527.7926 + 1-4 VDW = 484.2280 1-4 EEL = 5261.7334 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 433 -8.0692E+03 2.0982E-01 3.6662E+00 CG 2018 + + BOND = 104.9823 ANGLE = 255.9218 DIHED = 752.0396 + VDWAALS = -1450.2581 EEL = -10950.0573 EGB = -2527.7943 + 1-4 VDW = 484.2282 1-4 EEL = 5261.7205 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 434 -8.0694E+03 1.8965E-01 2.7767E+00 CG 174 + + BOND = 105.0524 ANGLE = 256.2277 DIHED = 751.9884 + VDWAALS = -1450.2974 EEL = -10950.2788 EGB = -2527.8564 + 1-4 VDW = 484.1276 1-4 EEL = 5261.6290 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 435 -8.0694E+03 2.2611E-01 4.1152E+00 CG 174 + + BOND = 105.0898 ANGLE = 256.3035 DIHED = 751.9793 + VDWAALS = -1450.3053 EEL = -10950.3266 EGB = -2527.8699 + 1-4 VDW = 484.1062 1-4 EEL = 5261.6092 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 436 -8.0697E+03 2.1014E-01 3.2355E+00 CG 174 + + BOND = 105.0784 ANGLE = 256.4545 DIHED = 751.8719 + VDWAALS = -1450.1897 EEL = -10950.7372 EGB = -2527.8024 + 1-4 VDW = 483.9331 1-4 EEL = 5261.7401 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 437 -8.0697E+03 2.5635E-01 5.0655E+00 CG 174 + + BOND = 105.1073 ANGLE = 256.5049 DIHED = 751.8482 + VDWAALS = -1450.1598 EEL = -10950.8394 EGB = -2527.7858 + 1-4 VDW = 483.8907 1-4 EEL = 5261.7726 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 438 -8.0699E+03 2.1002E-01 3.5081E+00 CG 174 + + BOND = 105.2387 ANGLE = 256.1056 DIHED = 751.7075 + VDWAALS = -1449.9133 EEL = -10951.1858 EGB = -2527.6511 + 1-4 VDW = 483.6475 1-4 EEL = 5262.1242 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 439 -8.0699E+03 2.2357E-01 4.0889E+00 CG 174 + + BOND = 105.2570 ANGLE = 256.0837 DIHED = 751.6997 + VDWAALS = -1449.8962 EEL = -10951.2093 EGB = -2527.6421 + 1-4 VDW = 483.6313 1-4 EEL = 5262.1481 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 440 -8.0701E+03 2.3324E-01 4.7205E+00 CG 174 + + BOND = 105.6415 ANGLE = 255.6569 DIHED = 751.6527 + VDWAALS = -1449.7170 EEL = -10951.7075 EGB = -2527.3793 + 1-4 VDW = 483.3718 1-4 EEL = 5262.3858 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 441 -8.0701E+03 1.9414E-01 3.3584E+00 CG 174 + + BOND = 105.5616 ANGLE = 255.7146 DIHED = 751.6578 + VDWAALS = -1449.7452 EEL = -10951.6305 EGB = -2527.4197 + 1-4 VDW = 483.4116 1-4 EEL = 5262.3490 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 442 -8.0703E+03 1.7035E-01 3.8354E+00 CB 2254 + + BOND = 105.4966 ANGLE = 255.8595 DIHED = 751.6571 + VDWAALS = -1449.6879 EEL = -10951.8788 EGB = -2527.3745 + 1-4 VDW = 483.2693 1-4 EEL = 5262.4015 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 443 -8.0703E+03 2.0424E-01 4.6334E+00 CB 2254 + + BOND = 105.5021 ANGLE = 255.9001 DIHED = 751.6582 + VDWAALS = -1449.6744 EEL = -10951.9351 EGB = -2527.3643 + 1-4 VDW = 483.2374 1-4 EEL = 5262.4134 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 444 -8.0705E+03 1.7614E-01 2.0039E+00 CB 2254 + + BOND = 105.4202 ANGLE = 256.1619 DIHED = 751.5990 + VDWAALS = -1449.7202 EEL = -10952.0367 EGB = -2527.3569 + 1-4 VDW = 483.1666 1-4 EEL = 5262.2903 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 445 -8.0705E+03 2.3712E-01 3.4329E+00 CG 174 + + BOND = 105.4257 ANGLE = 256.3009 DIHED = 751.5771 + VDWAALS = -1449.7389 EEL = -10952.0813 EGB = -2527.3540 + 1-4 VDW = 483.1363 1-4 EEL = 5262.2364 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 446 -8.0707E+03 2.2753E-01 4.5284E+00 CG 2018 + + BOND = 105.4774 ANGLE = 256.6084 DIHED = 751.4748 + VDWAALS = -1449.9586 EEL = -10951.9777 EGB = -2527.3746 + 1-4 VDW = 483.0727 1-4 EEL = 5261.9495 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 447 -8.0707E+03 2.2147E-01 4.3383E+00 CG 2018 + + BOND = 105.4724 ANGLE = 256.5984 DIHED = 751.4771 + VDWAALS = -1449.9529 EEL = -10951.9804 EGB = -2527.3740 + 1-4 VDW = 483.0743 1-4 EEL = 5261.9570 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 448 -8.0709E+03 2.1856E-01 5.5848E+00 CG 2018 + + BOND = 105.3297 ANGLE = 257.2122 DIHED = 751.4367 + VDWAALS = -1450.1112 EEL = -10952.1976 EGB = -2527.3687 + 1-4 VDW = 482.9918 1-4 EEL = 5261.7750 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 449 -8.0709E+03 2.1969E-01 5.6362E+00 CG 2018 + + BOND = 105.3296 ANGLE = 257.2157 DIHED = 751.4365 + VDWAALS = -1450.1120 EEL = -10952.1987 EGB = -2527.3687 + 1-4 VDW = 482.9913 1-4 EEL = 5261.7740 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 450 -8.0712E+03 3.0391E-01 6.5022E+00 CG 2018 + + BOND = 105.2381 ANGLE = 257.5642 DIHED = 751.3591 + VDWAALS = -1450.1947 EEL = -10952.5721 EGB = -2527.2689 + 1-4 VDW = 482.9267 1-4 EEL = 5261.7875 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 451 -8.0712E+03 2.7735E-01 5.4086E+00 CG 2018 + + BOND = 105.2378 ANGLE = 257.5184 DIHED = 751.3543 + VDWAALS = -1450.1892 EEL = -10952.5752 EGB = -2527.2622 + 1-4 VDW = 482.9281 1-4 EEL = 5261.7947 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 452 -8.0712E+03 2.4894E-01 4.2172E+00 CG 2018 + + BOND = 105.2406 ANGLE = 257.4631 DIHED = 751.3484 + VDWAALS = -1450.1823 EEL = -10952.5797 EGB = -2527.2538 + 1-4 VDW = 482.9298 1-4 EEL = 5261.8043 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 453 -8.0713E+03 2.2019E-01 2.9833E+00 CG 2018 + + BOND = 105.2474 ANGLE = 257.3970 DIHED = 751.3413 + VDWAALS = -1450.1735 EEL = -10952.5862 EGB = -2527.2433 + 1-4 VDW = 482.9321 1-4 EEL = 5261.8170 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 454 -8.0713E+03 1.9342E-01 2.5964E+00 HG21 2257 + + BOND = 105.2586 ANGLE = 257.3188 DIHED = 751.3329 + VDWAALS = -1450.1625 EEL = -10952.5959 EGB = -2527.2301 + 1-4 VDW = 482.9350 1-4 EEL = 5261.8342 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 455 -8.0709E+03 7.2696E-01 1.8749E+01 CG 2018 + + BOND = 106.5356 ANGLE = 255.6994 DIHED = 751.1552 + VDWAALS = -1449.8547 EEL = -10952.9185 EGB = -2526.8763 + 1-4 VDW = 483.0218 1-4 EEL = 5262.3313 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 456 -8.0715E+03 2.2725E-01 5.5102E+00 CG 2018 + + BOND = 105.4828 ANGLE = 256.6615 DIHED = 751.2616 + VDWAALS = -1450.0549 EEL = -10952.7106 EGB = -2527.1032 + 1-4 VDW = 482.9641 1-4 EEL = 5262.0114 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 457 -8.0717E+03 2.0876E-01 4.8394E+00 CG 2018 + + BOND = 105.4590 ANGLE = 256.2315 DIHED = 751.2228 + VDWAALS = -1449.9331 EEL = -10952.9743 EGB = -2526.9586 + 1-4 VDW = 482.9981 1-4 EEL = 5262.2713 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 458 -8.0717E+03 2.2864E-01 5.8813E+00 CG 2018 + + BOND = 105.4684 ANGLE = 256.1933 DIHED = 751.2196 + VDWAALS = -1449.9206 EEL = -10953.0008 EGB = -2526.9441 + 1-4 VDW = 483.0017 1-4 EEL = 5262.2975 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 459 -8.0719E+03 1.9483E-01 2.8416E+00 CB 2254 + + BOND = 105.4017 ANGLE = 255.9521 DIHED = 751.2071 + VDWAALS = -1449.8330 EEL = -10953.3798 EGB = -2526.7986 + 1-4 VDW = 483.0399 1-4 EEL = 5262.5033 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 460 -8.0719E+03 2.1768E-01 3.9350E+00 CG 2018 + + BOND = 105.4075 ANGLE = 255.9304 DIHED = 751.2069 + VDWAALS = -1449.8214 EEL = -10953.4281 EGB = -2526.7802 + 1-4 VDW = 483.0451 1-4 EEL = 5262.5296 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 461 -8.0721E+03 2.2717E-01 3.6018E+00 CG 174 + + BOND = 105.5684 ANGLE = 255.5440 DIHED = 751.1354 + VDWAALS = -1449.9149 EEL = -10953.4181 EGB = -2526.7031 + 1-4 VDW = 483.1726 1-4 EEL = 5262.5452 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 462 -8.0721E+03 1.8179E-01 3.1681E+00 CB 2254 + + BOND = 105.5146 ANGLE = 255.6038 DIHED = 751.1468 + VDWAALS = -1449.8985 EEL = -10953.4199 EGB = -2526.7169 + 1-4 VDW = 483.1491 1-4 EEL = 5262.5423 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 463 -8.0722E+03 1.5819E-01 2.4519E+00 HB 2255 + + BOND = 105.4350 ANGLE = 255.6382 DIHED = 751.0893 + VDWAALS = -1450.0079 EEL = -10953.3529 EGB = -2526.7256 + 1-4 VDW = 483.2834 1-4 EEL = 5262.4138 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 464 -8.0722E+03 2.0094E-01 3.0106E+00 HB 2255 + + BOND = 105.4355 ANGLE = 255.6584 DIHED = 751.0729 + VDWAALS = -1450.0426 EEL = -10953.3313 EGB = -2526.7286 + 1-4 VDW = 483.3273 1-4 EEL = 5262.3722 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 465 -8.0724E+03 1.8791E-01 2.6662E+00 HB 2255 + + BOND = 105.1517 ANGLE = 255.9798 DIHED = 751.0679 + VDWAALS = -1450.2444 EEL = -10953.2281 EGB = -2526.7868 + 1-4 VDW = 483.4707 1-4 EEL = 5262.1519 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 466 -8.0725E+03 2.4592E-01 4.3814E+00 CG 174 + + BOND = 105.0809 ANGLE = 256.1149 DIHED = 751.0714 + VDWAALS = -1450.3167 EEL = -10953.1904 EGB = -2526.8084 + 1-4 VDW = 483.5241 1-4 EEL = 5262.0714 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 467 -8.0727E+03 1.9653E-01 3.0158E+00 CG 174 + + BOND = 105.0561 ANGLE = 256.0749 DIHED = 751.0892 + VDWAALS = -1450.5422 EEL = -10953.2255 EGB = -2526.6537 + 1-4 VDW = 483.6651 1-4 EEL = 5261.8361 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 468 -8.0727E+03 2.2334E-01 4.1415E+00 CG 174 + + BOND = 105.0712 ANGLE = 256.0791 DIHED = 751.0945 + VDWAALS = -1450.5756 EEL = -10953.2309 EGB = -2526.6303 + 1-4 VDW = 483.6871 1-4 EEL = 5261.8003 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 469 -8.0729E+03 2.3275E-01 4.9690E+00 CG 174 + + BOND = 105.0337 ANGLE = 255.5957 DIHED = 751.0621 + VDWAALS = -1450.6614 EEL = -10953.0547 EGB = -2526.5050 + 1-4 VDW = 483.8060 1-4 EEL = 5261.8395 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 470 -8.0729E+03 2.0183E-01 3.8337E+00 CG 174 + + BOND = 105.0207 ANGLE = 255.6495 DIHED = 751.0649 + VDWAALS = -1450.6512 EEL = -10953.0767 EGB = -2526.5205 + 1-4 VDW = 483.7909 1-4 EEL = 5261.8346 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 471 -8.0731E+03 1.8634E-01 2.9485E+00 CG 2018 + + BOND = 104.9286 ANGLE = 255.2752 DIHED = 751.0239 + VDWAALS = -1450.5988 EEL = -10953.1840 EGB = -2526.3234 + 1-4 VDW = 483.8096 1-4 EEL = 5262.0124 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 472 -8.0731E+03 2.0913E-01 3.7092E+00 CG 2018 + + BOND = 104.9286 ANGLE = 255.2318 DIHED = 751.0201 + VDWAALS = -1450.5916 EEL = -10953.1982 EGB = -2526.2977 + 1-4 VDW = 483.8122 1-4 EEL = 5262.0358 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 473 -8.0733E+03 1.8396E-01 2.5741E+00 CG 2018 + + BOND = 105.0022 ANGLE = 254.7953 DIHED = 751.0051 + VDWAALS = -1450.5779 EEL = -10953.3112 EGB = -2526.1494 + 1-4 VDW = 483.7440 1-4 EEL = 5262.2341 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 474 -8.0733E+03 2.1332E-01 3.6866E+00 CG 2018 + + BOND = 105.0332 ANGLE = 254.7274 DIHED = 751.0053 + VDWAALS = -1450.5751 EEL = -10953.3313 EGB = -2526.1234 + 1-4 VDW = 483.7321 1-4 EEL = 5262.2694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 475 -8.0735E+03 3.0919E-01 4.5365E+00 CG 2018 + + BOND = 105.2746 ANGLE = 254.4904 DIHED = 750.9447 + VDWAALS = -1450.6333 EEL = -10953.7082 EGB = -2525.8765 + 1-4 VDW = 483.6638 1-4 EEL = 5262.3472 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 476 -8.0735E+03 2.7951E-01 3.7285E+00 CG 2018 + + BOND = 105.2341 ANGLE = 254.5090 DIHED = 750.9399 + VDWAALS = -1450.6369 EEL = -10953.6987 EGB = -2525.8891 + 1-4 VDW = 483.6687 1-4 EEL = 5262.3395 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 477 -8.0736E+03 2.4785E-01 2.8902E+00 HG21 2257 + + BOND = 105.1910 ANGLE = 254.5332 DIHED = 750.9339 + VDWAALS = -1450.6417 EEL = -10953.6889 EGB = -2525.9037 + 1-4 VDW = 483.6746 1-4 EEL = 5262.3294 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 478 -8.0736E+03 2.1613E-01 2.6943E+00 HG21 2257 + + BOND = 105.1470 ANGLE = 254.5645 DIHED = 750.9262 + VDWAALS = -1450.6481 EEL = -10953.6798 EGB = -2525.9202 + 1-4 VDW = 483.6814 1-4 EEL = 5262.3159 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 479 -8.0737E+03 1.8731E-01 2.4601E+00 HG21 2257 + + BOND = 105.1044 ANGLE = 254.6049 DIHED = 750.9164 + VDWAALS = -1450.6566 EEL = -10953.6733 EGB = -2525.9382 + 1-4 VDW = 483.6889 1-4 EEL = 5262.2977 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 480 -8.0732E+03 7.3592E-01 1.2077E+01 CG 2018 + + BOND = 105.2107 ANGLE = 256.0467 DIHED = 750.7621 + VDWAALS = -1450.8802 EEL = -10953.6565 EGB = -2526.3298 + 1-4 VDW = 483.8559 1-4 EEL = 5261.7942 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 481 -8.0738E+03 2.2012E-01 3.3988E+00 CG 2018 + + BOND = 104.9290 ANGLE = 255.0086 DIHED = 750.8397 + VDWAALS = -1450.7356 EEL = -10953.6674 EGB = -2526.0709 + 1-4 VDW = 483.7443 1-4 EEL = 5262.1253 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 482 -8.0740E+03 1.9654E-01 3.5440E+00 CG 2018 + + BOND = 104.9937 ANGLE = 255.4523 DIHED = 750.7719 + VDWAALS = -1450.8390 EEL = -10953.9134 EGB = -2526.0892 + 1-4 VDW = 483.7287 1-4 EEL = 5261.8973 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 483 -8.0740E+03 1.9431E-01 3.4660E+00 CG 2018 + + BOND = 104.9919 ANGLE = 255.4467 DIHED = 750.7725 + VDWAALS = -1450.8379 EEL = -10953.9107 EGB = -2526.0890 + 1-4 VDW = 483.7289 1-4 EEL = 5261.8998 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 484 -8.0742E+03 1.7153E-01 2.3300E+00 CG 174 + + BOND = 105.0362 ANGLE = 255.7167 DIHED = 750.7298 + VDWAALS = -1450.8667 EEL = -10954.0972 EGB = -2526.1453 + 1-4 VDW = 483.6313 1-4 EEL = 5261.8344 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 485 -8.0742E+03 2.1131E-01 3.7901E+00 CG 174 + + BOND = 105.0715 ANGLE = 255.7993 DIHED = 750.7202 + VDWAALS = -1450.8739 EEL = -10954.1474 EGB = -2526.1606 + 1-4 VDW = 483.6055 1-4 EEL = 5261.8168 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 486 -8.0744E+03 1.9402E-01 2.9295E+00 CG 174 + + BOND = 105.0615 ANGLE = 255.9043 DIHED = 750.6253 + VDWAALS = -1450.7554 EEL = -10954.5245 EGB = -2526.0825 + 1-4 VDW = 483.4433 1-4 EEL = 5261.9511 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 487 -8.0744E+03 2.3914E-01 4.7185E+00 CG 174 + + BOND = 105.0879 ANGLE = 255.9443 DIHED = 750.6030 + VDWAALS = -1450.7228 EEL = -10954.6248 EGB = -2526.0619 + 1-4 VDW = 483.4009 1-4 EEL = 5261.9868 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 488 -8.0746E+03 1.9931E-01 3.5517E+00 CG 174 + + BOND = 105.2359 ANGLE = 255.5521 DIHED = 750.4830 + VDWAALS = -1450.4912 EEL = -10954.9306 EGB = -2525.9469 + 1-4 VDW = 483.1739 1-4 EEL = 5262.3117 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 489 -8.0746E+03 2.0452E-01 3.7721E+00 CG 174 + + BOND = 105.2431 ANGLE = 255.5434 DIHED = 750.4804 + VDWAALS = -1450.4848 EEL = -10954.9388 EGB = -2525.9439 + 1-4 VDW = 483.1679 1-4 EEL = 5262.3204 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 490 -8.0748E+03 2.0734E-01 4.1476E+00 CG 174 + + BOND = 105.5589 ANGLE = 255.2109 DIHED = 750.4468 + VDWAALS = -1450.3284 EEL = -10955.3797 EGB = -2525.7255 + 1-4 VDW = 482.9456 1-4 EEL = 5262.5168 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 491 -8.0748E+03 1.7891E-01 3.1341E+00 CG 174 + + BOND = 105.5045 ANGLE = 255.2480 DIHED = 750.4497 + VDWAALS = -1450.3488 EEL = -10955.3233 EGB = -2525.7533 + 1-4 VDW = 482.9738 1-4 EEL = 5262.4917 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 492 -8.0749E+03 1.5865E-01 3.6281E+00 CB 2254 + + BOND = 105.4362 ANGLE = 255.3941 DIHED = 750.4471 + VDWAALS = -1450.3045 EEL = -10955.5237 EGB = -2525.7231 + 1-4 VDW = 482.8507 1-4 EEL = 5262.5314 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 493 -8.0749E+03 1.9202E-01 4.3679E+00 CB 2254 + + BOND = 105.4380 ANGLE = 255.4362 DIHED = 750.4475 + VDWAALS = -1450.2935 EEL = -10955.5719 EGB = -2525.7159 + 1-4 VDW = 482.8213 1-4 EEL = 5262.5410 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 494 -8.0751E+03 1.6193E-01 1.6984E+00 CB 2254 + + BOND = 105.3712 ANGLE = 255.6647 DIHED = 750.3905 + VDWAALS = -1450.3414 EEL = -10955.6419 EGB = -2525.7159 + 1-4 VDW = 482.7594 1-4 EEL = 5262.4310 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 495 -8.0751E+03 2.1937E-01 3.1558E+00 CG 174 + + BOND = 105.3774 ANGLE = 255.7920 DIHED = 750.3681 + VDWAALS = -1450.3622 EEL = -10955.6741 EGB = -2525.7162 + 1-4 VDW = 482.7315 1-4 EEL = 5262.3806 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 496 -8.0753E+03 2.1630E-01 4.2736E+00 CG 2018 + + BOND = 105.4207 ANGLE = 256.0966 DIHED = 750.2767 + VDWAALS = -1450.5586 EEL = -10955.5873 EGB = -2525.7517 + 1-4 VDW = 482.6707 1-4 EEL = 5262.1345 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 497 -8.0753E+03 2.0452E-01 3.9213E+00 CG 2018 + + BOND = 105.4118 ANGLE = 256.0769 DIHED = 750.2809 + VDWAALS = -1450.5484 EEL = -10955.5918 EGB = -2525.7498 + 1-4 VDW = 482.6738 1-4 EEL = 5262.1475 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 498 -8.0755E+03 2.0005E-01 5.0121E+00 CG 2018 + + BOND = 105.2903 ANGLE = 256.6204 DIHED = 750.2474 + VDWAALS = -1450.6858 EEL = -10955.7911 EGB = -2525.7563 + 1-4 VDW = 482.5978 1-4 EEL = 5262.0024 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 499 -8.0755E+03 2.0451E-01 5.2133E+00 CG 2018 + + BOND = 105.2903 ANGLE = 256.6336 DIHED = 750.2468 + VDWAALS = -1450.6888 EEL = -10955.7955 EGB = -2525.7565 + 1-4 VDW = 482.5961 1-4 EEL = 5261.9991 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -8.0757E+03 2.8410E-01 6.2304E+00 CG 2018 + + BOND = 105.2303 ANGLE = 256.8987 DIHED = 750.1770 + VDWAALS = -1450.7546 EEL = -10956.1393 EGB = -2525.6615 + 1-4 VDW = 482.5382 1-4 EEL = 5262.0248 RESTRAINT = 0.0000 + + + Maximum number of minimization cycles reached. + + + FINAL RESULTS + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -8.0757E+03 2.8410E-01 6.2304E+00 CG 2018 + + BOND = 105.2303 ANGLE = 256.8987 DIHED = 750.1770 + VDWAALS = -1450.7546 EEL = -10956.1393 EGB = -2525.6615 + 1-4 VDW = 482.5382 1-4 EEL = 5262.0248 RESTRAINT = 0.0000 + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Calc gb radii 146.27 (17.38% of Gen B) +| Calc gb diag 313.21 (37.23% of Gen B) +| Calc gb off-diag 381.86 (45.39% of Gen B) +| Gen Born time 841.35 (100.0% of Nonbo) +| Nonbond force 841.35 (99.58% of Force) +| Bond/Angle/Dihedral 3.53 ( 0.42% of Force) +| Force time 844.88 (100.0% of Runmd) +| Runmd Time 844.88 (99.89% of Total) +| Other 0.89 ( 0.11% of Total) +| Total time 845.78 (100.0% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 07:09:48.067 on 06/25/2009 +| Setup done at 07:09:48.132 on 06/25/2009 +| Run done at 07:23:53.852 on 06/25/2009 +| wallclock() was called 9008 times diff --git a/src/data/T4-lysozyme-L99A-implicit/complex-minimized.crd b/src/data/T4-lysozyme-L99A-implicit/complex-minimized.crd new file mode 100644 index 000000000..3fde5ce0a --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/complex-minimized.crd @@ -0,0 +1,1313 @@ 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44.3600222 47.6761071 16.1926579 + 44.6126419 48.2535708 17.8430399 diff --git a/src/data/T4-lysozyme-L99A-implicit/complex-testenergy.sander.out b/src/data/T4-lysozyme-L99A-implicit/complex-testenergy.sander.out new file mode 100644 index 000000000..58660a1a5 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/complex-testenergy.sander.out @@ -0,0 +1,155 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 07:23:55 + [-O]verwriting output + +File Assignments: +| MDIN: testenergy.sander.in +| MDOUT: complex-testenergy.sander.out +|INPCRD: complex-minimized.crd +| PARM: complex.prmtop +|RESTRT: complex-testenergy.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Single-point energy evaluation + &cntrl + nstlim = 0, dt=0.002, + ntb=0, + igb=2, cut=999.0, rgbmax=999.0, + ntt=3, tempi=300.0, temp0=300., gamma_ln=95., + ntc=2, ntf=2, tol=0.00000001, + &end + + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 2621 NTYPES = 14 NBONH = 1323 MBONA = 1318 + NTHETH = 2989 MTHETA = 1775 NPHIH = 5342 MPHIA = 3091 + NHPARM = 0 NPARM = 0 NNB = 14389 NRES = 163 + NBONA = 1318 NTHETA = 1775 NPHIA = 3091 NUMBND = 43 + NUMANG = 91 NPTRA = 29 NATYP = 30 NPHB = 0 + IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 136653 +| Hollerith 15891 +| Integer 147319 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 1705 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + + + +General flags: + imin = 0, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 2, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Molecular dynamics: + nstlim = 0, nscm = 1000, nrespa = 1 + t = 0.00000, dt = 0.00200, vlimit = 20.00000 + +Langevin dynamics temperature regulation: + ig = 71277 + temp0 = 300.00000, tempi = 300.00000, gamma_ln= 95.00000 + +SHAKE: + ntc = 2, jfastw = 0 + tol = 0.00000 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + + + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + NSTEP = 0 TIME(PS) = 0.000 TEMP(K) = 363.43 PRESS = 0.0 + Etot = -5719.7918 EKtot = 2361.5923 EPtot = -8081.3841 + BOND = 99.5327 ANGLE = 256.8987 DIHED = 750.1770 + 1-4 NB = 482.5382 1-4 EEL = 5262.0248 VDWAALS = -1450.7546 + EELEC = -10956.1393 EGB = -2525.6615 RESTRAINT = 0.0000 + ------------------------------------------------------------------------------ + + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Read coords time 0.01 ( 0.50% of Total) +| Fast Water setup 0.00 ( 0.01% of Total) +| Calc gb radii 0.29 (17.54% of Gen B) +| Calc gb diag 0.61 (37.24% of Gen B) +| Calc gb off-diag 0.74 (45.22% of Gen B) +| Gen Born time 1.63 (100.0% of Nonbo) +| Nonbond force 1.63 (99.58% of Force) +| Bond/Angle/Dihedral 0.01 ( 0.41% of Force) +| Other 0.00 ( 0.01% of Force) +| Force time 1.64 (100.0% of Runmd) +| Other 0.00 ( 0.05% of Runmd) +| Runmd Time 1.64 (96.29% of Total) +| Other 0.05 ( 3.20% of Total) +| Total time 1.70 (100.0% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 07:23:55.588 on 06/25/2009 +| Setup done at 07:23:55.651 on 06/25/2009 +| Run done at 07:23:57.290 on 06/25/2009 +| wallclock() was called 28 times diff --git a/src/data/T4-lysozyme-L99A-implicit/complex.crd b/src/data/T4-lysozyme-L99A-implicit/complex.crd new file mode 100644 index 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43.2290000 46.9470000 19.8810000 43.2970000 45.4010000 15.9080000 + 45.3340000 46.6120000 17.0120000 44.1990000 47.9960000 16.8610000 + 44.9540000 47.6210000 18.4480000 diff --git a/src/data/T4-lysozyme-L99A-implicit/complex.pdb b/src/data/T4-lysozyme-L99A-implicit/complex.pdb new file mode 100644 index 000000000..750685673 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/complex.pdb @@ -0,0 +1,2625 @@ +REMARK +ATOM 1 N MET 1 59.470 35.630 24.910 +ATOM 2 H1 MET 1 58.699 35.066 25.237 +ATOM 3 H2 MET 1 59.893 36.091 25.703 +ATOM 4 H3 MET 1 60.038 35.074 24.287 +ATOM 5 CA MET 1 58.900 36.760 24.040 +ATOM 6 HA MET 1 59.167 37.709 24.505 +ATOM 7 CB MET 1 59.430 36.760 22.550 +ATOM 8 2HB MET 1 60.495 36.531 22.568 +ATOM 9 3HB MET 1 58.901 35.981 22.001 +ATOM 10 CG MET 1 59.220 38.050 21.890 +ATOM 11 2HG MET 1 59.642 37.933 20.892 +ATOM 12 3HG MET 1 58.138 38.161 21.816 +ATOM 13 SD MET 1 59.900 39.490 22.640 +ATOM 14 CE MET 1 61.720 39.330 22.270 +ATOM 15 1HE MET 1 61.871 39.307 21.191 +ATOM 16 2HE MET 1 62.254 40.181 22.693 +ATOM 17 3HE MET 1 62.101 38.408 22.709 +ATOM 18 C MET 1 57.360 36.850 24.180 +ATOM 19 O MET 1 56.820 35.760 24.040 +ATOM 20 N ASN 2 56.880 38.010 24.600 +ATOM 21 H ASN 2 57.535 38.777 24.644 +ATOM 22 CA ASN 2 55.550 38.210 25.140 +ATOM 23 HA ASN 2 54.816 37.798 24.448 +ATOM 24 CB ASN 2 55.380 37.510 26.520 +ATOM 25 2HB ASN 2 54.297 37.386 26.501 +ATOM 26 3HB ASN 2 55.853 36.544 26.696 +ATOM 27 CG ASN 2 55.740 38.440 27.660 +ATOM 28 OD1 ASN 2 54.860 39.090 28.240 +ATOM 29 ND2 ASN 2 57.010 38.750 27.850 +ATOM 30 1HD2 ASN 2 57.268 39.369 28.605 +ATOM 31 2HD2 ASN 2 57.717 38.367 27.239 +ATOM 32 C ASN 2 55.170 39.740 25.160 +ATOM 33 O ASN 2 56.060 40.560 24.890 +ATOM 34 N ILE 3 53.940 40.230 25.550 +ATOM 35 H ILE 3 53.233 39.524 25.699 +ATOM 36 CA ILE 3 53.540 41.620 25.590 +ATOM 37 HA ILE 3 53.712 42.044 24.601 +ATOM 38 CB ILE 3 52.010 41.710 25.940 +ATOM 39 HB ILE 3 51.493 41.017 25.276 +ATOM 40 CG2 ILE 3 51.660 41.370 27.420 +ATOM 41 1HG2 ILE 3 52.176 42.063 28.084 +ATOM 42 2HG2 ILE 3 50.584 41.458 27.569 +ATOM 43 3HG2 ILE 3 51.975 40.351 27.643 +ATOM 44 CG1 ILE 3 51.430 43.140 25.760 +ATOM 45 2HG1 ILE 3 50.422 43.149 26.176 +ATOM 46 3HG1 ILE 3 52.060 43.831 26.321 +ATOM 47 CD1 ILE 3 51.380 43.570 24.300 +ATOM 48 1HD1 ILE 3 50.750 42.880 23.739 +ATOM 49 2HD1 ILE 3 50.967 44.576 24.231 +ATOM 50 3HD1 ILE 3 52.387 43.562 23.884 +ATOM 51 C ILE 3 54.380 42.540 26.440 +ATOM 52 O ILE 3 54.530 43.710 26.150 +ATOM 53 N PHE 4 54.810 42.100 27.630 +ATOM 54 H PHE 4 54.598 41.164 27.945 +ATOM 55 CA PHE 4 55.490 42.980 28.530 +ATOM 56 HA PHE 4 54.962 43.930 28.609 +ATOM 57 CB PHE 4 55.540 42.330 29.920 +ATOM 58 2HB PHE 4 55.877 41.297 29.834 +ATOM 59 3HB PHE 4 56.250 42.894 30.525 +ATOM 60 CG PHE 4 54.280 42.300 30.670 +ATOM 61 CD1 PHE 4 53.970 43.400 31.430 +ATOM 62 HD1 PHE 4 54.725 44.178 31.539 +ATOM 63 CE1 PHE 4 52.720 43.540 32.060 +ATOM 64 HE1 PHE 4 52.545 44.431 32.663 +ATOM 65 CZ PHE 4 51.720 42.580 31.930 +ATOM 66 HZ PHE 4 50.700 42.676 32.301 +ATOM 67 CE2 PHE 4 52.120 41.400 31.250 +ATOM 68 HE2 PHE 4 51.398 40.584 31.217 +ATOM 69 CD2 PHE 4 53.390 41.250 30.630 +ATOM 70 HD2 PHE 4 53.647 40.315 30.133 +ATOM 71 C PHE 4 57.000 43.400 27.980 +ATOM 72 O PHE 4 57.520 44.490 28.200 +ATOM 73 N GLU 5 57.580 42.510 27.150 +ATOM 74 H GLU 5 57.127 41.609 27.200 +ATOM 75 CA GLU 5 58.810 42.650 26.270 +ATOM 76 HA GLU 5 59.619 43.140 26.812 +ATOM 77 CB GLU 5 59.260 41.300 25.870 +ATOM 78 2HB GLU 5 58.426 40.724 25.468 +ATOM 79 3HB GLU 5 60.048 41.368 25.120 +ATOM 80 CG GLU 5 59.800 40.610 27.110 +ATOM 81 2HG GLU 5 60.547 41.293 27.514 +ATOM 82 3HG GLU 5 59.050 40.400 27.873 +ATOM 83 CD GLU 5 60.490 39.280 26.680 +ATOM 84 OE1 GLU 5 59.910 38.200 26.980 +ATOM 85 OE2 GLU 5 61.620 39.310 26.160 +ATOM 86 C GLU 5 58.560 43.550 25.070 +ATOM 87 O GLU 5 59.200 44.610 24.890 +ATOM 88 N MET 6 57.630 43.140 24.210 +ATOM 89 H MET 6 57.428 42.151 24.239 +ATOM 90 CA MET 6 56.990 43.950 23.170 +ATOM 91 HA MET 6 57.665 44.010 22.316 +ATOM 92 CB MET 6 55.660 43.380 22.700 +ATOM 93 2HB MET 6 55.761 42.295 22.678 +ATOM 94 3HB MET 6 54.908 43.659 23.438 +ATOM 95 CG MET 6 55.230 43.880 21.320 +ATOM 96 2HG MET 6 55.253 44.969 21.356 +ATOM 97 3HG MET 6 55.974 43.525 20.607 +ATOM 98 SD MET 6 53.600 43.340 20.790 +ATOM 99 CE MET 6 53.740 43.690 18.980 +ATOM 100 1HE MET 6 54.562 43.110 18.560 +ATOM 101 2HE MET 6 52.810 43.414 18.483 +ATOM 102 3HE MET 6 53.931 44.752 18.829 +ATOM 103 C MET 6 56.820 45.460 23.570 +ATOM 104 O MET 6 57.300 46.260 22.770 +ATOM 105 N LEU 7 56.130 45.700 24.700 +ATOM 106 H LEU 7 55.679 44.951 25.205 +ATOM 107 CA LEU 7 55.900 47.060 25.140 +ATOM 108 HA LEU 7 55.673 47.697 24.285 +ATOM 109 CB LEU 7 54.700 47.100 26.120 +ATOM 110 2HB LEU 7 54.825 46.329 26.881 +ATOM 111 3HB LEU 7 54.718 48.082 26.592 +ATOM 112 CG LEU 7 53.420 46.910 25.440 +ATOM 113 HG LEU 7 53.444 46.045 24.778 +ATOM 114 CD1 LEU 7 52.440 46.680 26.510 +ATOM 115 1HD1 LEU 7 52.415 47.545 27.173 +ATOM 116 2HD1 LEU 7 51.453 46.529 26.073 +ATOM 117 3HD1 LEU 7 52.724 45.795 27.080 +ATOM 118 CD2 LEU 7 52.960 48.090 24.650 +ATOM 119 1HD2 LEU 7 53.697 48.323 23.881 +ATOM 120 2HD2 LEU 7 52.004 47.862 24.179 +ATOM 121 3HD2 LEU 7 52.843 48.948 25.312 +ATOM 122 C LEU 7 57.140 47.690 25.710 +ATOM 123 O LEU 7 57.400 48.870 25.480 +ATOM 124 N ARG 8 58.010 46.960 26.450 +ATOM 125 H ARG 8 57.695 46.020 26.642 +ATOM 126 CA ARG 8 59.290 47.410 27.050 +ATOM 127 HA ARG 8 59.111 48.270 27.695 +ATOM 128 CB ARG 8 59.920 46.290 27.890 +ATOM 129 2HB ARG 8 59.198 46.049 28.670 +ATOM 130 3HB ARG 8 60.033 45.435 27.224 +ATOM 131 CG ARG 8 61.270 46.620 28.530 +ATOM 132 2HG ARG 8 61.553 45.748 29.119 +ATOM 133 3HG ARG 8 61.976 46.749 27.710 +ATOM 134 CD ARG 8 61.290 47.850 29.410 +ATOM 135 2HD ARG 8 60.785 48.682 28.919 +ATOM 136 3HD ARG 8 60.808 47.646 30.366 +ATOM 137 NE ARG 8 62.690 48.230 29.660 +ATOM 138 HE ARG 8 63.014 47.814 30.521 +ATOM 139 CZ ARG 8 63.550 48.920 28.930 +ATOM 140 NH1 ARG 8 63.220 49.450 27.770 +ATOM 141 1HH1 ARG 8 62.282 49.334 27.414 +ATOM 142 2HH1 ARG 8 63.906 49.970 27.242 +ATOM 143 NH2 ARG 8 64.710 49.160 29.400 +ATOM 144 1HH2 ARG 8 64.959 48.823 30.319 +ATOM 145 2HH2 ARG 8 65.375 49.686 28.851 +ATOM 146 C ARG 8 60.260 47.910 25.910 +ATOM 147 O ARG 8 61.030 48.800 25.990 +ATOM 148 N ILE 9 60.220 47.120 24.810 +ATOM 149 H ILE 9 59.718 46.243 24.819 +ATOM 150 CA ILE 9 60.970 47.480 23.600 +ATOM 151 HA ILE 9 61.996 47.814 23.752 +ATOM 152 CB ILE 9 60.970 46.150 22.730 +ATOM 153 HB ILE 9 59.963 45.733 22.723 +ATOM 154 CG2 ILE 9 61.420 46.450 21.260 +ATOM 155 1HG2 ILE 9 62.427 46.867 21.266 +ATOM 156 2HG2 ILE 9 61.413 45.526 20.682 +ATOM 157 3HG2 ILE 9 60.733 47.166 20.808 +ATOM 158 CG1 ILE 9 61.850 45.060 23.400 +ATOM 159 2HG1 ILE 9 62.909 45.302 23.315 +ATOM 160 3HG1 ILE 9 61.590 44.935 24.451 +ATOM 161 CD1 ILE 9 61.560 43.750 22.640 +ATOM 162 1HD1 ILE 9 61.821 43.874 21.589 +ATOM 163 2HD1 ILE 9 62.153 42.942 23.068 +ATOM 164 3HD1 ILE 9 60.501 43.507 22.725 +ATOM 165 C ILE 9 60.330 48.700 22.900 +ATOM 166 O ILE 9 61.090 49.550 22.490 +ATOM 167 N ASP 10 59.010 48.850 22.730 +ATOM 168 H ASP 10 58.425 48.113 23.097 +ATOM 169 CA ASP 10 58.390 49.900 21.990 +ATOM 170 HA ASP 10 58.958 50.069 21.075 +ATOM 171 CB ASP 10 56.930 49.570 21.610 +ATOM 172 2HB ASP 10 56.585 48.910 22.406 +ATOM 173 3HB ASP 10 56.323 50.476 21.601 +ATOM 174 CG ASP 10 56.800 48.860 20.270 +ATOM 175 OD1 ASP 10 57.640 49.170 19.350 +ATOM 176 OD2 ASP 10 55.850 48.090 20.140 +ATOM 177 C ASP 10 58.440 51.260 22.680 +ATOM 178 O ASP 10 58.630 52.330 22.090 +ATOM 179 N GLU 11 58.290 51.240 24.000 +ATOM 180 H GLU 11 58.286 50.349 24.476 +ATOM 181 CA GLU 11 58.170 52.480 24.820 +ATOM 182 HA GLU 11 57.732 53.274 24.214 +ATOM 183 CB GLU 11 57.270 52.250 26.060 +ATOM 184 2HB GLU 11 57.783 51.494 26.654 +ATOM 185 3HB GLU 11 57.272 53.197 26.599 +ATOM 186 CG GLU 11 55.830 51.810 25.810 +ATOM 187 2HG GLU 11 55.995 50.989 25.112 +ATOM 188 3HG GLU 11 55.384 51.423 26.726 +ATOM 189 CD GLU 11 54.890 52.830 25.180 +ATOM 190 OE1 GLU 11 55.130 54.060 25.290 +ATOM 191 OE2 GLU 11 53.840 52.430 24.680 +ATOM 192 C GLU 11 59.600 52.840 25.320 +ATOM 193 O GLU 11 60.150 53.870 24.910 +ATOM 194 N GLY 12 60.370 51.940 25.920 +ATOM 195 H GLY 12 60.032 50.988 25.924 +ATOM 196 CA GLY 12 61.680 52.230 26.580 +ATOM 197 2HA GLY 12 62.418 51.517 26.212 +ATOM 198 3HA GLY 12 61.986 53.241 26.310 +ATOM 199 C GLY 12 61.600 52.120 28.150 +ATOM 200 O GLY 12 60.700 51.550 28.710 +ATOM 201 N LEU 13 62.600 52.760 28.870 +ATOM 202 H LEU 13 63.347 53.185 28.339 +ATOM 203 CA LEU 13 62.620 52.890 30.280 +ATOM 204 HA LEU 13 61.600 52.845 30.661 +ATOM 205 CB LEU 13 63.430 51.780 30.930 +ATOM 206 2HB LEU 13 62.918 50.834 30.754 +ATOM 207 3HB LEU 13 64.367 51.795 30.373 +ATOM 208 CG LEU 13 63.720 51.930 32.410 +ATOM 209 HG LEU 13 64.328 52.831 32.487 +ATOM 210 CD1 LEU 13 62.530 52.030 33.380 +ATOM 211 1HD1 LEU 13 61.922 51.129 33.304 +ATOM 212 2HD1 LEU 13 62.900 52.133 34.400 +ATOM 213 3HD1 LEU 13 61.924 52.899 33.124 +ATOM 214 CD2 LEU 13 64.440 50.690 32.880 +ATOM 215 1HD2 LEU 13 65.372 50.579 32.326 +ATOM 216 2HD2 LEU 13 64.658 50.777 33.944 +ATOM 217 3HD2 LEU 13 63.810 49.817 32.709 +ATOM 218 C LEU 13 63.300 54.220 30.610 +ATOM 219 O LEU 13 64.410 54.440 30.100 +ATOM 220 N ARG 14 62.640 55.140 31.290 +ATOM 221 H ARG 14 61.695 54.891 31.545 +ATOM 222 CA ARG 14 63.120 56.440 31.650 +ATOM 223 HA ARG 14 64.205 56.412 31.747 +ATOM 224 CB ARG 14 62.750 57.480 30.590 +ATOM 225 2HB ARG 14 61.666 57.585 30.548 +ATOM 226 3HB ARG 14 63.198 58.439 30.851 +ATOM 227 CG ARG 14 63.270 57.030 29.230 +ATOM 228 2HG ARG 14 64.338 56.835 29.325 +ATOM 229 3HG ARG 14 62.756 56.107 28.961 +ATOM 230 CD ARG 14 63.040 58.070 28.150 +ATOM 231 2HD ARG 14 63.592 57.765 27.261 +ATOM 232 3HD ARG 14 61.974 58.096 27.924 +ATOM 233 NE ARG 14 63.470 59.410 28.530 +ATOM 234 HE ARG 14 63.631 59.569 29.514 +ATOM 235 CZ ARG 14 63.430 60.430 27.740 +ATOM 236 NH1 ARG 14 63.260 60.290 26.460 +ATOM 237 1HH1 ARG 14 63.156 59.366 26.066 +ATOM 238 2HH1 ARG 14 63.233 61.106 25.865 +ATOM 239 NH2 ARG 14 63.790 61.560 28.160 +ATOM 240 1HH2 ARG 14 64.108 61.663 29.113 +ATOM 241 2HH2 ARG 14 63.759 62.358 27.542 +ATOM 242 C ARG 14 62.540 56.780 32.960 +ATOM 243 O ARG 14 61.330 56.670 33.140 +ATOM 244 N LEU 15 63.420 56.830 33.960 +ATOM 245 H LEU 15 64.360 56.592 33.678 +ATOM 246 CA LEU 15 63.160 57.040 35.360 +ATOM 247 HA LEU 15 62.359 56.377 35.687 +ATOM 248 CB LEU 15 64.400 56.750 36.190 +ATOM 249 2HB LEU 15 65.233 57.309 35.764 +ATOM 250 3HB LEU 15 64.230 57.078 37.216 +ATOM 251 CG LEU 15 64.740 55.210 36.180 +ATOM 252 HG LEU 15 64.978 54.934 35.153 +ATOM 253 CD1 LEU 15 65.910 54.840 37.090 +ATOM 254 1HD1 LEU 15 65.673 55.115 38.118 +ATOM 255 2HD1 LEU 15 66.089 53.766 37.034 +ATOM 256 3HD1 LEU 15 66.804 55.374 36.768 +ATOM 257 CD2 LEU 15 63.530 54.330 36.640 +ATOM 258 1HD2 LEU 15 62.686 54.493 35.970 +ATOM 259 2HD2 LEU 15 63.815 53.278 36.616 +ATOM 260 3HD2 LEU 15 63.245 54.605 37.655 +ATOM 261 C LEU 15 62.560 58.450 35.630 +ATOM 262 O LEU 15 61.740 58.610 36.540 +ATOM 263 N LYS 16 63.020 59.560 35.000 +ATOM 264 H LYS 16 63.863 59.430 34.459 +ATOM 265 CA LYS 16 62.410 60.900 35.030 +ATOM 266 HA LYS 16 62.077 61.206 36.022 +ATOM 267 CB LYS 16 63.580 61.810 34.600 +ATOM 268 2HB LYS 16 64.371 61.579 35.314 +ATOM 269 3HB LYS 16 63.859 61.435 33.615 +ATOM 270 CG LYS 16 63.380 63.340 34.530 +ATOM 271 2HG LYS 16 62.887 63.568 33.585 +ATOM 272 3HG LYS 16 62.731 63.629 35.357 +ATOM 273 CD LYS 16 64.700 64.120 34.620 +ATOM 274 2HD LYS 16 65.354 63.783 33.816 +ATOM 275 3HD LYS 16 64.483 65.180 34.491 +ATOM 276 CE LYS 16 65.400 63.900 35.980 +ATOM 277 2HE LYS 16 64.743 64.313 36.746 +ATOM 278 3HE LYS 16 65.489 62.823 36.121 +ATOM 279 NZ LYS 16 66.750 64.530 36.090 +ATOM 280 1HZ LYS 16 66.667 65.528 35.960 +ATOM 281 2HZ LYS 16 67.137 64.340 37.004 +ATOM 282 3HZ LYS 16 67.359 64.147 35.381 +ATOM 283 C LYS 16 61.250 61.050 34.100 +ATOM 284 O LYS 16 61.250 60.360 33.070 +ATOM 285 N ILE 17 60.330 61.990 34.390 +ATOM 286 H ILE 17 60.392 62.350 35.332 +ATOM 287 CA ILE 17 59.220 62.500 33.500 +ATOM 288 HA ILE 17 58.516 61.685 33.335 +ATOM 289 CB ILE 17 58.480 63.700 34.110 +ATOM 290 HB ILE 17 59.162 64.538 34.253 +ATOM 291 CG2 ILE 17 57.380 64.100 33.130 +ATOM 292 1HG2 ILE 17 56.698 63.262 32.987 +ATOM 293 2HG2 ILE 17 56.830 64.952 33.529 +ATOM 294 3HG2 ILE 17 57.826 64.372 32.173 +ATOM 295 CG1 ILE 17 57.880 63.310 35.460 +ATOM 296 2HG1 ILE 17 57.098 62.597 35.200 +ATOM 297 3HG1 ILE 17 58.693 62.788 35.964 +ATOM 298 CD1 ILE 17 57.300 64.390 36.400 +ATOM 299 1HD1 ILE 17 56.486 64.912 35.896 +ATOM 300 2HD1 ILE 17 56.922 63.918 37.307 +ATOM 301 3HD1 ILE 17 58.082 65.103 36.661 +ATOM 302 C ILE 17 59.750 62.890 32.120 +ATOM 303 O ILE 17 60.590 63.760 31.930 +ATOM 304 N TYR 18 59.310 62.130 31.140 +ATOM 305 H TYR 18 58.907 61.230 31.357 +ATOM 306 CA TYR 18 59.450 62.520 29.690 +ATOM 307 HA TYR 18 59.986 63.462 29.576 +ATOM 308 CB TYR 18 60.270 61.400 29.010 +ATOM 309 2HB TYR 18 60.467 61.862 28.042 +ATOM 310 3HB TYR 18 61.197 61.344 29.581 +ATOM 311 CG TYR 18 59.720 60.000 28.800 +ATOM 312 CD1 TYR 18 59.470 59.130 29.850 +ATOM 313 HD1 TYR 18 59.649 59.511 30.855 +ATOM 314 CE1 TYR 18 59.010 57.820 29.670 +ATOM 315 HE1 TYR 18 58.844 57.165 30.525 +ATOM 316 CZ TYR 18 58.740 57.360 28.370 +ATOM 317 OH TYR 18 58.220 56.100 28.150 +ATOM 318 HH TYR 18 58.075 55.607 28.961 +ATOM 319 CE2 TYR 18 59.030 58.200 27.260 +ATOM 320 HE2 TYR 18 58.885 57.835 26.243 +ATOM 321 CD2 TYR 18 59.510 59.520 27.480 +ATOM 322 HD2 TYR 18 59.720 60.172 26.632 +ATOM 323 C TYR 18 58.040 62.710 29.120 +ATOM 324 O TYR 18 57.080 62.760 29.930 +ATOM 325 N LYS 19 57.830 62.750 27.840 +ATOM 326 H LYS 19 58.601 62.699 27.190 +ATOM 327 CA LYS 19 56.470 62.830 27.300 +ATOM 328 HA LYS 19 55.794 62.707 28.146 +ATOM 329 CB LYS 19 56.090 64.120 26.550 +ATOM 330 2HB LYS 19 56.827 64.230 25.754 +ATOM 331 3HB LYS 19 55.109 63.932 26.113 +ATOM 332 CG LYS 19 56.040 65.420 27.390 +ATOM 333 2HG LYS 19 55.727 65.114 28.388 +ATOM 334 3HG LYS 19 57.066 65.786 27.428 +ATOM 335 CD LYS 19 55.090 66.570 26.870 +ATOM 336 2HD LYS 19 55.209 66.598 25.787 +ATOM 337 3HD LYS 19 54.074 66.262 27.116 +ATOM 338 CE LYS 19 55.360 67.990 27.460 +ATOM 339 2HE LYS 19 54.823 68.116 28.400 +ATOM 340 3HE LYS 19 56.427 68.131 27.630 +ATOM 341 NZ LYS 19 54.890 68.970 26.500 +ATOM 342 1HZ LYS 19 53.901 68.840 26.343 +ATOM 343 2HZ LYS 19 55.054 69.899 26.860 +ATOM 344 3HZ LYS 19 55.388 68.854 25.629 +ATOM 345 C LYS 19 56.240 61.690 26.230 +ATOM 346 O LYS 19 57.150 61.180 25.600 +ATOM 347 N ASP 20 54.990 61.370 25.970 +ATOM 348 H ASP 20 54.307 61.692 26.641 +ATOM 349 CA ASP 20 54.540 60.480 24.890 +ATOM 350 HA ASP 20 55.233 59.641 24.825 +ATOM 351 CB ASP 20 53.150 59.940 25.100 +ATOM 352 2HB ASP 20 53.075 58.945 24.661 +ATOM 353 3HB ASP 20 53.073 59.864 26.185 +ATOM 354 CG ASP 20 52.040 60.800 24.580 +ATOM 355 OD1 ASP 20 52.160 62.020 24.720 +ATOM 356 OD2 ASP 20 51.120 60.170 23.970 +ATOM 357 C ASP 20 54.680 61.120 23.510 +ATOM 358 O ASP 20 54.810 62.340 23.340 +ATOM 359 N THR 21 54.410 60.330 22.480 +ATOM 360 H THR 21 54.238 59.357 22.690 +ATOM 361 CA THR 21 54.490 60.740 21.050 +ATOM 362 HA THR 21 55.432 61.279 20.949 +ATOM 363 CB THR 21 54.510 59.560 20.120 +ATOM 364 HB THR 21 54.573 59.950 19.104 +ATOM 365 CG2 THR 21 55.630 58.630 20.360 +ATOM 366 1HG2 THR 21 55.567 58.239 21.376 +ATOM 367 2HG2 THR 21 55.576 57.805 19.650 +ATOM 368 3HG2 THR 21 56.575 59.158 20.232 +ATOM 369 OG1 THR 21 53.370 58.770 20.320 +ATOM 370 1HG THR 21 53.392 58.019 19.722 +ATOM 371 C THR 21 53.420 61.760 20.580 +ATOM 372 O THR 21 53.510 62.420 19.550 +ATOM 373 N GLU 22 52.370 61.890 21.420 +ATOM 374 H GLU 22 52.141 61.163 22.082 +ATOM 375 CA GLU 22 51.390 63.000 21.220 +ATOM 376 HA GLU 22 51.364 63.236 20.156 +ATOM 377 CB GLU 22 49.950 62.670 21.690 +ATOM 378 2HB GLU 22 50.024 62.364 22.734 +ATOM 379 3HB GLU 22 49.380 63.596 21.623 +ATOM 380 CG GLU 22 49.270 61.620 20.920 +ATOM 381 2HG GLU 22 49.977 60.796 20.823 +ATOM 382 3HG GLU 22 48.439 61.312 21.555 +ATOM 383 CD GLU 22 48.730 62.010 19.510 +ATOM 384 OE1 GLU 22 49.320 62.760 18.700 +ATOM 385 OE2 GLU 22 47.650 61.550 19.100 +ATOM 386 C GLU 22 51.780 64.410 21.720 +ATOM 387 O GLU 22 51.850 65.320 20.940 +ATOM 388 N GLY 23 52.120 64.480 23.040 +ATOM 389 H GLY 23 51.935 63.652 23.587 +ATOM 390 CA GLY 23 52.700 65.600 23.690 +ATOM 391 2HA GLY 23 53.783 65.532 23.588 +ATOM 392 3HA GLY 23 52.345 66.505 23.196 +ATOM 393 C GLY 23 52.350 65.670 25.150 +ATOM 394 O GLY 23 52.190 66.800 25.620 +ATOM 395 N TYR 24 52.440 64.580 25.870 +ATOM 396 H TYR 24 52.868 63.735 25.520 +ATOM 397 CA TYR 24 51.870 64.560 27.200 +ATOM 398 HA TYR 24 51.709 65.573 27.570 +ATOM 399 CB TYR 24 50.510 63.840 27.130 +ATOM 400 2HB TYR 24 50.666 62.779 26.934 +ATOM 401 3HB TYR 24 50.167 63.972 28.156 +ATOM 402 CG TYR 24 49.450 64.390 26.160 +ATOM 403 CD1 TYR 24 49.030 65.710 26.110 +ATOM 404 HD1 TYR 24 49.508 66.465 26.734 +ATOM 405 CE1 TYR 24 47.960 66.080 25.230 +ATOM 406 HE1 TYR 24 47.600 67.108 25.181 +ATOM 407 CZ TYR 24 47.440 65.120 24.370 +ATOM 408 OH TYR 24 46.340 65.580 23.700 +ATOM 409 HH TYR 24 46.110 66.483 23.932 +ATOM 410 CE2 TYR 24 47.950 63.840 24.300 +ATOM 411 HE2 TYR 24 47.564 63.115 23.583 +ATOM 412 CD2 TYR 24 48.980 63.480 25.170 +ATOM 413 HD2 TYR 24 49.435 62.492 25.097 +ATOM 414 C TYR 24 52.810 63.850 28.250 +ATOM 415 O TYR 24 53.450 62.890 27.930 +ATOM 416 N TYR 25 52.810 64.360 29.440 +ATOM 417 H TYR 25 52.183 65.131 29.622 +ATOM 418 CA TYR 25 53.680 63.940 30.480 +ATOM 419 HA TYR 25 54.702 63.887 30.104 +ATOM 420 CB TYR 25 53.640 64.930 31.660 +ATOM 421 2HB TYR 25 52.628 65.019 32.055 +ATOM 422 3HB TYR 25 54.271 64.425 32.391 +ATOM 423 CG TYR 25 54.200 66.320 31.380 +ATOM 424 CD1 TYR 25 55.570 66.460 31.110 +ATOM 425 HD1 TYR 25 56.215 65.584 31.180 +ATOM 426 CE1 TYR 25 56.120 67.720 30.750 +ATOM 427 HE1 TYR 25 57.189 67.798 30.553 +ATOM 428 CZ TYR 25 55.310 68.860 30.680 +ATOM 429 OH TYR 25 55.870 70.020 30.400 +ATOM 430 HH TYR 25 56.819 69.956 30.268 +ATOM 431 CE2 TYR 25 53.900 68.720 30.880 +ATOM 432 HE2 TYR 25 53.221 69.562 30.747 +ATOM 433 CD2 TYR 25 53.390 67.450 31.260 +ATOM 434 HD2 TYR 25 52.327 67.330 31.471 +ATOM 435 C TYR 25 53.420 62.500 31.060 +ATOM 436 O TYR 25 52.270 62.120 31.250 +ATOM 437 N THR 26 54.550 61.770 31.090 +ATOM 438 H THR 26 55.387 62.330 31.169 +ATOM 439 CA THR 26 54.690 60.310 31.070 +ATOM 440 HA THR 26 53.786 59.790 31.387 +ATOM 441 CB THR 26 54.960 59.970 29.600 +ATOM 442 HB THR 26 55.747 60.656 29.287 +ATOM 443 CG2 THR 26 55.380 58.510 29.260 +ATOM 444 1HG2 THR 26 54.593 57.823 29.572 +ATOM 445 2HG2 THR 26 55.537 58.417 28.185 +ATOM 446 3HG2 THR 26 56.304 58.266 29.784 +ATOM 447 OG1 THR 26 53.800 60.220 28.870 +ATOM 448 1HG THR 26 53.953 60.012 27.945 +ATOM 449 C THR 26 55.880 59.930 31.920 +ATOM 450 O THR 26 56.740 60.800 32.160 +ATOM 451 N ILE 27 56.000 58.670 32.430 +ATOM 452 H ILE 27 55.225 58.024 32.398 +ATOM 453 CA ILE 27 57.200 58.260 33.100 +ATOM 454 HA ILE 27 58.081 58.482 32.499 +ATOM 455 CB ILE 27 57.340 58.940 34.500 +ATOM 456 HB ILE 27 57.185 60.015 34.408 +ATOM 457 CG2 ILE 27 56.280 58.350 35.440 +ATOM 458 1HG2 ILE 27 56.434 57.275 35.533 +ATOM 459 2HG2 ILE 27 56.365 58.815 36.422 +ATOM 460 3HG2 ILE 27 55.287 58.540 35.033 +ATOM 461 CG1 ILE 27 58.700 58.870 35.220 +ATOM 462 2HG1 ILE 27 58.934 57.816 35.371 +ATOM 463 3HG1 ILE 27 59.442 59.316 34.557 +ATOM 464 CD1 ILE 27 58.720 59.590 36.560 +ATOM 465 1HD1 ILE 27 57.979 59.145 37.223 +ATOM 466 2HD1 ILE 27 59.709 59.498 37.008 +ATOM 467 3HD1 ILE 27 58.486 60.644 36.410 +ATOM 468 C ILE 27 57.270 56.700 33.240 +ATOM 469 O ILE 27 56.300 55.950 33.240 +ATOM 470 N GLY 28 58.500 56.270 33.580 +ATOM 471 H GLY 28 59.218 56.973 33.685 +ATOM 472 CA GLY 28 58.870 54.840 33.810 +ATOM 473 2HA GLY 28 59.817 54.809 34.348 +ATOM 474 3HA GLY 28 58.093 54.374 34.416 +ATOM 475 C GLY 28 59.010 54.090 32.550 +ATOM 476 O GLY 28 59.970 54.210 31.790 +ATOM 477 N ILE 29 58.010 53.310 32.170 +ATOM 478 H ILE 29 57.256 53.205 32.833 +ATOM 479 CA ILE 29 57.920 52.580 30.880 +ATOM 480 HA ILE 29 58.508 52.832 29.997 +ATOM 481 CB ILE 29 58.080 51.100 31.190 +ATOM 482 HB ILE 29 57.430 50.871 32.035 +ATOM 483 CG2 ILE 29 57.720 50.170 29.990 +ATOM 484 1HG2 ILE 29 58.370 50.398 29.145 +ATOM 485 2HG2 ILE 29 57.857 49.129 30.283 +ATOM 486 3HG2 ILE 29 56.681 50.332 29.703 +ATOM 487 CG1 ILE 29 59.370 50.730 31.970 +ATOM 488 2HG1 ILE 29 60.219 50.781 31.289 +ATOM 489 3HG1 ILE 29 59.510 51.448 32.779 +ATOM 490 CD1 ILE 29 59.270 49.350 32.540 +ATOM 491 1HD1 ILE 29 59.131 48.632 31.732 +ATOM 492 2HD1 ILE 29 60.185 49.113 33.082 +ATOM 493 3HD1 ILE 29 58.421 49.299 33.222 +ATOM 494 C ILE 29 56.540 52.950 30.340 +ATOM 495 O ILE 29 55.490 52.420 30.710 +ATOM 496 N GLY 30 56.530 53.960 29.520 +ATOM 497 H GLY 30 57.431 54.405 29.422 +ATOM 498 CA GLY 30 55.380 54.510 28.740 +ATOM 499 2HA GLY 30 55.774 55.360 28.183 +ATOM 500 3HA GLY 30 55.086 53.724 28.044 +ATOM 501 C GLY 30 54.150 54.960 29.530 +ATOM 502 O GLY 30 53.240 55.450 28.880 +ATOM 503 N HIE 31 54.110 54.930 30.840 +ATOM 504 H HIE 31 54.922 54.598 31.340 +ATOM 505 CA HIE 31 52.840 55.240 31.640 +ATOM 506 HA HIE 31 51.979 54.758 31.176 +ATOM 507 CB HIE 31 52.980 54.720 33.060 +ATOM 508 2HB HIE 31 52.918 53.632 33.057 +ATOM 509 3HB HIE 31 53.976 55.026 33.379 +ATOM 510 CG HIE 31 52.010 55.210 34.130 +ATOM 511 ND1 HIE 31 50.690 54.750 34.320 +ATOM 512 CE1 HIE 31 50.220 55.560 35.320 +ATOM 513 HE1 HIE 31 49.181 55.453 35.633 +ATOM 514 NE2 HIE 31 51.210 56.400 35.760 +ATOM 515 HE2 HIE 31 51.120 57.049 36.528 +ATOM 516 CD2 HIE 31 52.330 56.230 35.010 +ATOM 517 HD2 HIE 31 53.208 56.850 35.193 +ATOM 518 C HIE 31 52.480 56.680 31.590 +ATOM 519 O HIE 31 53.270 57.420 32.200 +ATOM 520 N LEU 32 51.430 57.070 30.910 +ATOM 521 H LEU 32 51.096 56.329 30.311 +ATOM 522 CA LEU 32 50.800 58.390 30.800 +ATOM 523 HA LEU 32 51.534 59.102 30.423 +ATOM 524 CB LEU 32 49.580 58.380 29.840 +ATOM 525 2HB LEU 32 49.962 58.049 28.874 +ATOM 526 3HB LEU 32 48.910 57.621 30.244 +ATOM 527 CG LEU 32 48.800 59.720 29.660 +ATOM 528 HG LEU 32 48.141 59.856 30.518 +ATOM 529 CD1 LEU 32 49.730 60.880 29.560 +ATOM 530 1HD1 LEU 32 50.389 60.745 28.702 +ATOM 531 2HD1 LEU 32 49.155 61.798 29.435 +ATOM 532 3HD1 LEU 32 50.327 60.947 30.469 +ATOM 533 CD2 LEU 32 47.960 59.680 28.360 +ATOM 534 1HD2 LEU 32 47.247 58.857 28.413 +ATOM 535 2HD2 LEU 32 47.421 60.620 28.246 +ATOM 536 3HD2 LEU 32 48.620 59.534 27.505 +ATOM 537 C LEU 32 50.480 58.920 32.200 +ATOM 538 O LEU 32 49.490 58.450 32.770 +ATOM 539 N LEU 33 51.170 59.870 32.730 +ATOM 540 H LEU 33 52.118 59.997 32.405 +ATOM 541 CA LEU 33 50.740 60.610 33.900 +ATOM 542 HA LEU 33 50.421 59.921 34.683 +ATOM 543 CB LEU 33 51.930 61.480 34.450 +ATOM 544 2HB LEU 33 52.280 62.103 33.627 +ATOM 545 3HB LEU 33 51.478 62.111 35.215 +ATOM 546 CG LEU 33 53.110 60.720 35.050 +ATOM 547 HG LEU 33 53.512 59.953 34.388 +ATOM 548 CD1 LEU 33 54.110 61.810 35.210 +ATOM 549 1HD1 LEU 33 53.709 62.577 35.872 +ATOM 550 2HD1 LEU 33 55.026 61.403 35.639 +ATOM 551 3HD1 LEU 33 54.329 62.249 34.237 +ATOM 552 CD2 LEU 33 52.780 60.090 36.400 +ATOM 553 1HD2 LEU 33 51.956 59.387 36.282 +ATOM 554 2HD2 LEU 33 53.655 59.563 36.779 +ATOM 555 3HD2 LEU 33 52.493 60.870 37.105 +ATOM 556 C LEU 33 49.420 61.410 33.800 +ATOM 557 O LEU 33 48.520 61.160 34.580 +ATOM 558 N THR 34 49.330 62.370 32.940 +ATOM 559 H THR 34 50.139 62.610 32.385 +ATOM 560 CA THR 34 48.070 63.160 32.740 +ATOM 561 HA THR 34 47.297 62.395 32.806 +ATOM 562 CB THR 34 47.840 64.200 33.880 +ATOM 563 HB THR 34 47.611 63.660 34.798 +ATOM 564 CG2 THR 34 49.080 65.080 34.100 +ATOM 565 1HG2 THR 34 49.310 65.621 33.182 +ATOM 566 2HG2 THR 34 48.883 65.792 34.901 +ATOM 567 3HG2 THR 34 49.928 64.452 34.373 +ATOM 568 OG1 THR 34 46.920 65.140 33.540 +ATOM 569 1HG THR 34 46.810 65.757 34.267 +ATOM 570 C THR 34 48.130 63.920 31.390 +ATOM 571 O THR 34 49.230 64.280 30.940 +ATOM 572 N LYS 35 47.000 64.270 30.740 +ATOM 573 H LYS 35 46.148 63.775 30.962 +ATOM 574 CA LYS 35 46.990 65.230 29.560 +ATOM 575 HA LYS 35 47.864 65.054 28.933 +ATOM 576 CB LYS 35 45.710 65.020 28.700 +ATOM 577 2HB LYS 35 44.916 64.666 29.358 +ATOM 578 3HB LYS 35 45.427 65.983 28.275 +ATOM 579 CG LYS 35 45.930 63.990 27.550 +ATOM 580 2HG LYS 35 46.880 64.254 27.086 +ATOM 581 3HG LYS 35 46.019 63.016 28.031 +ATOM 582 CD LYS 35 44.810 63.930 26.450 +ATOM 583 2HD LYS 35 43.851 63.850 26.961 +ATOM 584 3HD LYS 35 44.847 64.866 25.892 +ATOM 585 CE LYS 35 44.980 62.700 25.440 +ATOM 586 2HE LYS 35 45.875 62.853 24.837 +ATOM 587 3HE LYS 35 45.082 61.778 26.013 +ATOM 588 NZ LYS 35 43.780 62.600 24.540 +ATOM 589 1HZ LYS 35 43.685 63.454 24.009 +ATOM 590 2HZ LYS 35 43.898 61.821 23.907 +ATOM 591 3HZ LYS 35 42.951 62.457 25.099 +ATOM 592 C LYS 35 47.220 66.740 29.830 +ATOM 593 O LYS 35 47.610 67.520 28.920 +ATOM 594 N SER 36 47.120 67.210 31.060 +ATOM 595 H SER 36 46.771 66.512 31.702 +ATOM 596 CA SER 36 47.390 68.600 31.590 +ATOM 597 HA SER 36 46.747 69.326 31.092 +ATOM 598 CB SER 36 47.090 68.640 33.140 +ATOM 599 2HB SER 36 46.042 68.404 33.326 +ATOM 600 3HB SER 36 47.722 67.923 33.664 +ATOM 601 OG SER 36 47.370 69.950 33.610 +ATOM 602 HG SER 36 47.194 69.996 34.553 +ATOM 603 C SER 36 48.810 68.930 31.260 +ATOM 604 O SER 36 49.660 68.210 31.760 +ATOM 605 N PRO 37 49.120 70.030 30.460 +ATOM 606 CD PRO 37 48.080 70.860 29.880 +ATOM 607 2HD PRO 37 47.470 71.314 30.661 +ATOM 608 3HD PRO 37 47.444 70.272 29.219 +ATOM 609 CG PRO 37 48.930 71.900 29.110 +ATOM 610 2HG PRO 37 49.196 72.738 29.755 +ATOM 611 3HG PRO 37 48.392 72.271 28.237 +ATOM 612 CB PRO 37 50.200 71.080 28.680 +ATOM 613 2HB PRO 37 51.039 71.741 28.463 +ATOM 614 3HB PRO 37 50.099 70.347 27.880 +ATOM 615 CA PRO 37 50.430 70.370 30.010 +ATOM 616 HA PRO 37 51.005 69.471 29.786 +ATOM 617 C PRO 37 51.110 71.140 31.140 +ATOM 618 O PRO 37 51.620 72.250 30.970 +ATOM 619 N SER 38 51.200 70.520 32.330 +ATOM 620 H SER 38 50.850 69.572 32.320 +ATOM 621 CA SER 38 51.620 71.080 33.590 +ATOM 622 HA SER 38 52.235 71.952 33.367 +ATOM 623 CB SER 38 50.480 71.510 34.540 +ATOM 624 2HB SER 38 49.925 72.348 34.119 +ATOM 625 3HB SER 38 49.799 70.679 34.724 +ATOM 626 OG SER 38 51.070 71.900 35.740 +ATOM 627 HG SER 38 50.388 72.175 36.357 +ATOM 628 C SER 38 52.560 70.060 34.230 +ATOM 629 O SER 38 52.050 69.020 34.610 +ATOM 630 N LEU 39 53.860 70.290 34.310 +ATOM 631 H LEU 39 54.205 71.138 33.883 +ATOM 632 CA LEU 39 54.840 69.370 34.940 +ATOM 633 HA LEU 39 54.771 68.347 34.569 +ATOM 634 CB LEU 39 56.180 69.950 34.520 +ATOM 635 2HB LEU 39 56.230 70.015 33.433 +ATOM 636 3HB LEU 39 56.201 70.954 34.945 +ATOM 637 CG LEU 39 57.380 69.150 35.040 +ATOM 638 HG LEU 39 57.318 69.163 36.128 +ATOM 639 CD1 LEU 39 57.450 67.700 34.550 +ATOM 640 1HD1 LEU 39 57.513 67.686 33.462 +ATOM 641 2HD1 LEU 39 58.332 67.216 34.970 +ATOM 642 3HD1 LEU 39 56.556 67.165 34.869 +ATOM 643 CD2 LEU 39 58.620 69.930 34.430 +ATOM 644 1HD2 LEU 39 58.615 70.959 34.789 +ATOM 645 2HD2 LEU 39 59.544 69.442 34.739 +ATOM 646 3HD2 LEU 39 58.553 69.925 33.342 +ATOM 647 C LEU 39 54.700 69.260 36.490 +ATOM 648 O LEU 39 55.140 68.260 36.980 +ATOM 649 N ASN 40 53.940 70.220 37.130 +ATOM 650 H ASN 40 53.932 71.092 36.620 +ATOM 651 CA ASN 40 53.390 70.200 38.430 +ATOM 652 HA ASN 40 54.111 69.747 39.110 +ATOM 653 CB ASN 40 53.050 71.600 38.940 +ATOM 654 2HB ASN 40 52.609 72.092 38.073 +ATOM 655 3HB ASN 40 52.363 71.667 39.783 +ATOM 656 CG ASN 40 54.320 72.310 39.300 +ATOM 657 OD1 ASN 40 54.950 71.990 40.320 +ATOM 658 ND2 ASN 40 54.680 73.410 38.590 +ATOM 659 1HD2 ASN 40 55.533 73.899 38.821 +ATOM 660 2HD2 ASN 40 54.093 73.734 37.835 +ATOM 661 C ASN 40 52.290 69.160 38.480 +ATOM 662 O ASN 40 52.340 68.240 39.350 +ATOM 663 N ALA 41 51.320 69.170 37.630 +ATOM 664 H ALA 41 51.160 69.980 37.048 +ATOM 665 CA ALA 41 50.300 68.090 37.630 +ATOM 666 HA ALA 41 49.865 68.043 38.628 +ATOM 667 CB ALA 41 49.200 68.540 36.630 +ATOM 668 1HB ALA 41 49.618 68.583 35.624 +ATOM 669 2HB ALA 41 48.376 67.827 36.650 +ATOM 670 3HB ALA 41 48.833 69.527 36.913 +ATOM 671 C ALA 41 50.890 66.730 37.420 +ATOM 672 O ALA 41 50.620 65.840 38.260 +ATOM 673 N ALA 42 51.880 66.540 36.520 +ATOM 674 H ALA 42 52.079 67.271 35.852 +ATOM 675 CA ALA 42 52.600 65.280 36.400 +ATOM 676 HA ALA 42 51.883 64.491 36.172 +ATOM 677 CB ALA 42 53.600 65.390 35.230 +ATOM 678 1HB ALA 42 54.330 66.169 35.448 +ATOM 679 2HB ALA 42 54.114 64.438 35.100 +ATOM 680 3HB ALA 42 53.063 65.641 34.315 +ATOM 681 C ALA 42 53.290 64.870 37.760 +ATOM 682 O ALA 42 53.060 63.720 38.110 +ATOM 683 N LYS 43 54.080 65.660 38.430 +ATOM 684 H LYS 43 54.460 66.432 37.901 +ATOM 685 CA LYS 43 54.560 65.450 39.780 +ATOM 686 HA LYS 43 55.203 64.570 39.793 +ATOM 687 CB LYS 43 55.380 66.680 40.320 +ATOM 688 2HB LYS 43 54.755 67.563 40.189 +ATOM 689 3HB LYS 43 55.549 66.510 41.383 +ATOM 690 CG LYS 43 56.740 66.900 39.610 +ATOM 691 2HG LYS 43 57.370 66.035 39.819 +ATOM 692 3HG LYS 43 56.552 66.962 38.538 +ATOM 693 CD LYS 43 57.410 68.100 40.050 +ATOM 694 2HD LYS 43 56.733 68.949 39.959 +ATOM 695 3HD LYS 43 57.713 67.987 41.091 +ATOM 696 CE LYS 43 58.650 68.340 39.180 +ATOM 697 2HE LYS 43 59.191 67.397 39.099 +ATOM 698 3HE LYS 43 58.312 68.651 38.191 +ATOM 699 NZ LYS 43 59.540 69.370 39.740 +ATOM 700 1HZ LYS 43 59.854 69.082 40.656 +ATOM 701 2HZ LYS 43 60.338 69.491 39.133 +ATOM 702 3HZ LYS 43 59.039 70.244 39.815 +ATOM 703 C LYS 43 53.510 65.040 40.810 +ATOM 704 O LYS 43 53.840 64.310 41.690 +ATOM 705 N SER 44 52.330 65.670 40.750 +ATOM 706 H SER 44 52.267 66.549 40.256 +ATOM 707 CA SER 44 51.150 65.220 41.550 +ATOM 708 HA SER 44 51.393 65.132 42.609 +ATOM 709 CB SER 44 50.050 66.310 41.380 +ATOM 710 2HB SER 44 50.456 67.297 41.599 +ATOM 711 3HB SER 44 49.656 66.297 40.364 +ATOM 712 OG SER 44 48.990 66.010 42.310 +ATOM 713 HG SER 44 48.296 66.668 42.227 +ATOM 714 C SER 44 50.740 63.810 41.240 +ATOM 715 O SER 44 50.710 63.000 42.150 +ATOM 716 N GLU 45 50.250 63.490 40.040 +ATOM 717 H GLU 45 50.326 64.158 39.286 +ATOM 718 CA GLU 45 49.660 62.140 39.740 +ATOM 719 HA GLU 45 48.774 61.975 40.353 +ATOM 720 CB GLU 45 49.250 62.060 38.240 +ATOM 721 2HB GLU 45 50.191 62.079 37.690 +ATOM 722 3HB GLU 45 48.784 61.081 38.128 +ATOM 723 CG GLU 45 48.320 63.130 37.690 +ATOM 724 2HG GLU 45 48.827 64.094 37.739 +ATOM 725 3HG GLU 45 48.074 62.901 36.653 +ATOM 726 CD GLU 45 47.000 63.190 38.540 +ATOM 727 OE1 GLU 45 46.030 62.470 38.170 +ATOM 728 OE2 GLU 45 46.910 63.930 39.540 +ATOM 729 C GLU 45 50.750 61.100 39.960 +ATOM 730 O GLU 45 50.450 59.940 40.130 +ATOM 731 N LEU 46 52.020 61.520 40.000 +ATOM 732 H LEU 46 52.192 62.496 39.806 +ATOM 733 CA LEU 46 53.180 60.640 40.240 +ATOM 734 HA LEU 46 53.078 59.682 39.730 +ATOM 735 CB LEU 46 54.420 61.390 39.650 +ATOM 736 2HB LEU 46 54.374 61.598 38.581 +ATOM 737 3HB LEU 46 54.433 62.330 40.203 +ATOM 738 CG LEU 46 55.690 60.600 39.960 +ATOM 739 HG LEU 46 55.704 60.334 41.017 +ATOM 740 CD1 LEU 46 55.720 59.290 39.090 +ATOM 741 1HD1 LEU 46 55.707 59.555 38.033 +ATOM 742 2HD1 LEU 46 56.626 58.727 39.312 +ATOM 743 3HD1 LEU 46 54.847 58.679 39.322 +ATOM 744 CD2 LEU 46 56.840 61.460 39.430 +ATOM 745 1HD2 LEU 46 56.836 62.425 39.937 +ATOM 746 2HD2 LEU 46 57.788 60.956 39.618 +ATOM 747 3HD2 LEU 46 56.716 61.613 38.358 +ATOM 748 C LEU 46 53.280 60.340 41.790 +ATOM 749 O LEU 46 53.220 59.170 42.270 +ATOM 750 N ASP 47 53.420 61.400 42.630 +ATOM 751 H ASP 47 53.598 62.331 42.282 +ATOM 752 CA ASP 47 53.420 61.190 44.070 +ATOM 753 HA ASP 47 54.259 60.546 44.331 +ATOM 754 CB ASP 47 53.550 62.530 44.870 +ATOM 755 2HB ASP 47 52.737 63.133 44.466 +ATOM 756 3HB ASP 47 53.345 62.297 45.915 +ATOM 757 CG ASP 47 54.860 63.310 44.770 +ATOM 758 OD1 ASP 47 55.900 62.720 44.390 +ATOM 759 OD2 ASP 47 54.810 64.520 45.140 +ATOM 760 C ASP 47 52.200 60.420 44.550 +ATOM 761 O ASP 47 52.320 59.610 45.500 +ATOM 762 N LYS 48 51.040 60.640 43.910 +ATOM 763 H LYS 48 51.095 61.373 43.217 +ATOM 764 CA LYS 48 49.760 59.960 44.100 +ATOM 765 HA LYS 48 49.427 60.033 45.135 +ATOM 766 CB LYS 48 48.720 60.650 43.200 +ATOM 767 2HB LYS 48 49.207 60.934 42.267 +ATOM 768 3HB LYS 48 47.921 59.939 42.990 +ATOM 769 CG LYS 48 48.130 61.900 43.870 +ATOM 770 2HG LYS 48 47.454 61.578 44.662 +ATOM 771 3HG LYS 48 48.948 62.476 44.303 +ATOM 772 CD LYS 48 47.350 62.790 42.850 +ATOM 773 2HD LYS 48 47.233 63.759 43.335 +ATOM 774 3HD LYS 48 48.007 62.893 41.987 +ATOM 775 CE LYS 48 45.980 62.280 42.390 +ATOM 776 2HE LYS 48 46.141 61.390 41.782 +ATOM 777 3HE LYS 48 45.406 62.014 43.278 +ATOM 778 NZ LYS 48 45.230 63.290 41.600 +ATOM 779 1HZ LYS 48 45.761 63.536 40.777 +ATOM 780 2HZ LYS 48 44.338 62.906 41.322 +ATOM 781 3HZ LYS 48 45.081 64.115 42.163 +ATOM 782 C LYS 48 49.880 58.500 43.720 +ATOM 783 O LYS 48 49.620 57.640 44.580 +ATOM 784 N ALA 49 50.250 58.110 42.500 +ATOM 785 H ALA 49 50.373 58.791 41.764 +ATOM 786 CA ALA 49 50.290 56.670 42.140 +ATOM 787 HA ALA 49 49.334 56.305 42.516 +ATOM 788 CB ALA 49 50.310 56.510 40.610 +ATOM 789 1HB ALA 49 51.264 56.863 40.220 +ATOM 790 2HB ALA 49 50.179 55.459 40.352 +ATOM 791 3HB ALA 49 49.500 57.094 40.172 +ATOM 792 C ALA 49 51.370 55.840 42.830 +ATOM 793 O ALA 49 51.100 54.650 43.090 +ATOM 794 N ILE 50 52.470 56.460 43.240 +ATOM 795 H ILE 50 52.579 57.428 42.974 +ATOM 796 CA ILE 50 53.550 55.820 43.970 +ATOM 797 HA ILE 50 53.629 54.759 43.731 +ATOM 798 CB ILE 50 54.930 56.480 43.830 +ATOM 799 HB ILE 50 54.785 57.543 44.021 +ATOM 800 CG2 ILE 50 56.010 55.940 44.760 +ATOM 801 1HG2 ILE 50 56.156 54.877 44.569 +ATOM 802 2HG2 ILE 50 56.944 56.473 44.581 +ATOM 803 3HG2 ILE 50 55.703 56.084 45.796 +ATOM 804 CG1 ILE 50 55.510 56.530 42.450 +ATOM 805 2HG1 ILE 50 54.719 56.922 41.810 +ATOM 806 3HG1 ILE 50 56.328 57.249 42.498 +ATOM 807 CD1 ILE 50 56.010 55.250 41.890 +ATOM 808 1HD1 ILE 50 55.193 54.530 41.841 +ATOM 809 2HD1 ILE 50 56.404 55.420 40.888 +ATOM 810 3HD1 ILE 50 56.801 54.858 42.529 +ATOM 811 C ILE 50 53.290 55.670 45.520 +ATOM 812 O ILE 50 53.480 54.630 46.120 +ATOM 813 N GLY 51 53.090 56.850 46.130 +ATOM 814 H GLY 51 53.115 57.682 45.558 +ATOM 815 CA GLY 51 52.840 57.000 47.560 +ATOM 816 2HA GLY 51 51.794 57.271 47.700 +ATOM 817 3HA GLY 51 53.035 56.044 48.045 +ATOM 818 C GLY 51 53.720 58.070 48.200 +ATOM 819 O GLY 51 53.270 59.120 48.700 +ATOM 820 N ARG 52 54.970 57.780 48.300 +ATOM 821 H ARG 52 55.213 56.819 48.109 +ATOM 822 CA ARG 52 56.020 58.680 48.750 +ATOM 823 HA ARG 52 55.799 59.015 49.763 +ATOM 824 CB ARG 52 57.400 57.980 48.750 +ATOM 825 2HB ARG 52 58.047 58.566 49.403 +ATOM 826 3HB ARG 52 57.248 56.991 49.183 +ATOM 827 CG ARG 52 58.050 57.840 47.390 +ATOM 828 2HG ARG 52 57.287 57.698 46.625 +ATOM 829 3HG ARG 52 58.632 58.733 47.161 +ATOM 830 CD ARG 52 59.000 56.590 47.420 +ATOM 831 2HD ARG 52 59.831 56.772 48.102 +ATOM 832 3HD ARG 52 58.446 55.711 47.750 +ATOM 833 NE ARG 52 59.540 56.330 46.080 +ATOM 834 HE ARG 52 59.005 55.660 45.547 +ATOM 835 CZ ARG 52 60.530 56.950 45.490 +ATOM 836 NH1 ARG 52 61.270 57.830 46.140 +ATOM 837 1HH1 ARG 52 61.073 58.032 47.110 +ATOM 838 2HH1 ARG 52 62.029 58.296 45.664 +ATOM 839 NH2 ARG 52 60.930 56.660 44.310 +ATOM 840 1HH2 ARG 52 60.474 55.922 43.793 +ATOM 841 2HH2 ARG 52 61.700 57.171 43.901 +ATOM 842 C ARG 52 56.160 60.050 47.970 +ATOM 843 O ARG 52 55.620 60.210 46.930 +ATOM 844 N ASN 53 56.950 60.930 48.540 +ATOM 845 H ASN 53 57.160 60.908 49.528 +ATOM 846 CA ASN 53 57.550 62.000 47.720 +ATOM 847 HA ASN 53 56.767 62.462 47.119 +ATOM 848 CB ASN 53 58.230 63.100 48.580 +ATOM 849 2HB ASN 53 58.850 62.506 49.252 +ATOM 850 3HB ASN 53 58.856 63.814 48.045 +ATOM 851 CG ASN 53 57.190 63.890 49.430 +ATOM 852 OD1 ASN 53 56.290 64.440 48.870 +ATOM 853 ND2 ASN 53 57.430 64.090 50.750 +ATOM 854 1HD2 ASN 53 56.762 64.601 51.310 +ATOM 855 2HD2 ASN 53 58.275 63.727 51.167 +ATOM 856 C ASN 53 58.640 61.470 46.740 +ATOM 857 O ASN 53 59.680 61.060 47.190 +ATOM 858 N THR 54 58.390 61.690 45.460 +ATOM 859 H THR 54 57.486 62.082 45.240 +ATOM 860 CA THR 54 59.300 61.350 44.340 +ATOM 861 HA THR 54 60.021 60.641 44.747 +ATOM 862 CB THR 54 58.540 60.670 43.180 +ATOM 863 HB THR 54 59.275 60.401 42.421 +ATOM 864 CG2 THR 54 57.760 59.410 43.610 +ATOM 865 1HG2 THR 54 57.025 59.679 44.368 +ATOM 866 2HG2 THR 54 57.251 58.985 42.745 +ATOM 867 3HG2 THR 54 58.453 58.676 44.021 +ATOM 868 OG1 THR 54 57.560 61.500 42.690 +ATOM 869 1HG THR 54 57.099 61.061 41.971 +ATOM 870 C THR 54 60.020 62.630 43.850 +ATOM 871 O THR 54 61.210 62.600 43.600 +ATOM 872 N ASN 55 59.370 63.800 43.730 +ATOM 873 H ASN 55 58.474 63.904 44.185 +ATOM 874 CA ASN 55 59.820 64.890 42.760 +ATOM 875 HA ASN 55 58.953 65.443 42.399 +ATOM 876 CB ASN 55 60.790 65.890 43.470 +ATOM 877 2HB ASN 55 60.486 66.024 44.508 +ATOM 878 3HB ASN 55 61.777 65.429 43.437 +ATOM 879 CG ASN 55 60.870 67.270 42.800 +ATOM 880 OD1 ASN 55 60.360 67.490 41.700 +ATOM 881 ND2 ASN 55 61.470 68.220 43.480 +ATOM 882 1HD2 ASN 55 61.550 69.146 43.085 +ATOM 883 2HD2 ASN 55 61.849 68.020 44.395 +ATOM 884 C ASN 55 60.340 64.330 41.430 +ATOM 885 O ASN 55 61.480 64.570 41.110 +ATOM 886 N GLY 56 59.440 63.860 40.580 +ATOM 887 H GLY 56 58.539 63.574 40.936 +ATOM 888 CA GLY 56 59.700 63.730 39.090 +ATOM 889 2HA GLY 56 58.713 63.590 38.649 +ATOM 890 3HA GLY 56 60.095 64.701 38.793 +ATOM 891 C GLY 56 60.630 62.640 38.580 +ATOM 892 O GLY 56 60.810 62.520 37.350 +ATOM 893 N VAL 57 61.110 61.770 39.450 +ATOM 894 H VAL 57 60.790 61.955 40.390 +ATOM 895 CA VAL 57 62.010 60.620 39.230 +ATOM 896 HA VAL 57 61.814 60.176 38.254 +ATOM 897 CB VAL 57 63.510 61.050 39.290 +ATOM 898 HB VAL 57 63.872 60.917 40.310 +ATOM 899 CG1 VAL 57 64.390 60.180 38.300 +ATOM 900 1HG1 VAL 57 64.029 60.313 37.280 +ATOM 901 2HG1 VAL 57 65.430 60.500 38.361 +ATOM 902 3HG1 VAL 57 64.317 59.128 38.577 +ATOM 903 CG2 VAL 57 63.820 62.500 38.940 +ATOM 904 1HG2 VAL 57 63.295 63.161 39.630 +ATOM 905 2HG2 VAL 57 64.893 62.672 39.019 +ATOM 906 3HG2 VAL 57 63.494 62.706 37.921 +ATOM 907 C VAL 57 61.790 59.540 40.300 +ATOM 908 O VAL 57 61.440 59.830 41.440 +ATOM 909 N ILE 58 61.880 58.270 39.880 +ATOM 910 H ILE 58 62.258 58.186 38.947 +ATOM 911 CA ILE 58 61.480 56.990 40.620 +ATOM 912 HA ILE 58 61.471 57.041 41.709 +ATOM 913 CB ILE 58 60.040 56.610 40.100 +ATOM 914 HB ILE 58 59.860 55.567 40.360 +ATOM 915 CG2 ILE 58 58.950 57.470 40.690 +ATOM 916 1HG2 ILE 58 59.129 58.513 40.430 +ATOM 917 2HG2 ILE 58 57.985 57.158 40.292 +ATOM 918 3HG2 ILE 58 58.948 57.361 41.775 +ATOM 919 CG1 ILE 58 59.970 56.600 38.570 +ATOM 920 2HG1 ILE 58 60.131 57.631 38.255 +ATOM 921 3HG1 ILE 58 60.804 55.984 38.235 +ATOM 922 CD1 ILE 58 58.680 56.080 37.960 +ATOM 923 1HD1 ILE 58 57.845 56.696 38.294 +ATOM 924 2HD1 ILE 58 58.749 56.121 36.873 +ATOM 925 3HD1 ILE 58 58.519 55.049 38.274 +ATOM 926 C ILE 58 62.500 55.840 40.330 +ATOM 927 O ILE 58 63.600 56.040 39.800 +ATOM 928 N THR 59 62.190 54.640 40.910 +ATOM 929 H THR 59 61.406 54.529 41.537 +ATOM 930 CA THR 59 63.090 53.520 40.730 +ATOM 931 HA THR 59 64.004 53.947 40.317 +ATOM 932 CB THR 59 63.430 52.840 42.110 +ATOM 933 HB THR 59 64.101 52.001 41.927 +ATOM 934 CG2 THR 59 64.100 53.830 43.070 +ATOM 935 1HG2 THR 59 63.429 54.669 43.254 +ATOM 936 2HG2 THR 59 64.322 53.329 44.013 +ATOM 937 3HG2 THR 59 65.026 54.196 42.627 +ATOM 938 OG1 THR 59 62.240 52.470 42.770 +ATOM 939 1HG THR 59 62.455 52.057 43.609 +ATOM 940 C THR 59 62.530 52.480 39.670 +ATOM 941 O THR 59 61.390 52.670 39.250 +ATOM 942 N LYS 60 63.390 51.500 39.320 +ATOM 943 H LYS 60 64.291 51.447 39.774 +ATOM 944 CA LYS 60 63.110 50.560 38.180 +ATOM 945 HA LYS 60 62.698 51.142 37.356 +ATOM 946 CB LYS 60 64.340 49.810 37.680 +ATOM 947 2HB LYS 60 65.090 50.573 37.472 +ATOM 948 3HB LYS 60 64.672 49.193 38.515 +ATOM 949 CG LYS 60 64.160 48.980 36.510 +ATOM 950 2HG LYS 60 63.670 48.059 36.827 +ATOM 951 3HG LYS 60 63.511 49.516 35.817 +ATOM 952 CD LYS 60 65.450 48.650 35.830 +ATOM 953 2HD LYS 60 65.888 49.548 35.395 +ATOM 954 3HD LYS 60 66.151 48.213 36.541 +ATOM 955 CE LYS 60 65.150 47.630 34.710 +ATOM 956 2HE LYS 60 64.207 47.953 34.269 +ATOM 957 3HE LYS 60 65.952 47.754 33.983 +ATOM 958 NZ LYS 60 65.050 46.190 35.100 +ATOM 959 1HZ LYS 60 64.306 46.075 35.774 +ATOM 960 2HZ LYS 60 64.852 45.632 34.281 +ATOM 961 3HZ LYS 60 65.924 45.890 35.508 +ATOM 962 C LYS 60 62.010 49.600 38.510 +ATOM 963 O LYS 60 61.050 49.490 37.740 +ATOM 964 N ASP 61 61.950 48.970 39.670 +ATOM 965 H ASP 61 62.863 48.935 40.101 +ATOM 966 CA ASP 61 60.820 48.180 40.310 +ATOM 967 HA ASP 61 60.556 47.337 39.672 +ATOM 968 CB ASP 61 61.240 47.640 41.690 +ATOM 969 2HB ASP 61 61.504 48.634 42.051 +ATOM 970 3HB ASP 61 60.598 47.147 42.420 +ATOM 971 CG ASP 61 62.520 46.810 41.490 +ATOM 972 OD1 ASP 61 62.540 45.870 40.640 +ATOM 973 OD2 ASP 61 63.300 46.870 42.470 +ATOM 974 C ASP 61 59.480 48.900 40.330 +ATOM 975 O ASP 61 58.500 48.350 39.870 +ATOM 976 N GLU 62 59.470 50.100 40.890 +ATOM 977 H GLU 62 60.295 50.424 41.374 +ATOM 978 CA GLU 62 58.320 51.000 40.800 +ATOM 979 HA GLU 62 57.458 50.602 41.336 +ATOM 980 CB GLU 62 58.740 52.340 41.460 +ATOM 981 2HB GLU 62 59.729 52.599 41.082 +ATOM 982 3HB GLU 62 58.023 53.100 41.151 +ATOM 983 CG GLU 62 58.780 52.270 42.970 +ATOM 984 2HG GLU 62 57.706 52.239 43.156 +ATOM 985 3HG GLU 62 59.254 51.407 43.437 +ATOM 986 CD GLU 62 59.370 53.570 43.570 +ATOM 987 OE1 GLU 62 60.150 54.260 42.890 +ATOM 988 OE2 GLU 62 59.270 53.830 44.800 +ATOM 989 C GLU 62 57.910 51.310 39.390 +ATOM 990 O GLU 62 56.720 51.340 39.170 +ATOM 991 N ALA 63 58.780 51.690 38.440 +ATOM 992 H ALA 63 59.716 51.906 38.751 +ATOM 993 CA ALA 63 58.460 51.860 37.000 +ATOM 994 HA ALA 63 57.799 52.722 36.909 +ATOM 995 CB ALA 63 59.720 52.120 36.170 +ATOM 996 1HB ALA 63 60.388 51.262 36.244 +ATOM 997 2HB ALA 63 59.443 52.276 35.127 +ATOM 998 3HB ALA 63 60.227 53.008 36.547 +ATOM 999 C ALA 63 57.720 50.620 36.420 +ATOM 1000 O ALA 63 56.680 50.780 35.780 +ATOM 1001 N GLU 64 58.330 49.450 36.550 +ATOM 1002 H GLU 64 59.302 49.465 36.824 +ATOM 1003 CA GLU 64 57.720 48.140 36.180 +ATOM 1004 HA GLU 64 57.478 48.103 35.118 +ATOM 1005 CB GLU 64 58.730 47.070 36.480 +ATOM 1006 2HB GLU 64 59.072 47.188 37.508 +ATOM 1007 3HB GLU 64 58.255 46.096 36.365 +ATOM 1008 CG GLU 64 59.940 47.170 35.520 +ATOM 1009 2HG GLU 64 59.476 46.912 34.568 +ATOM 1010 3HG GLU 64 60.373 48.168 35.454 +ATOM 1011 CD GLU 64 61.070 46.130 35.850 +ATOM 1012 OE1 GLU 64 62.100 46.000 35.130 +ATOM 1013 OE2 GLU 64 60.890 45.280 36.780 +ATOM 1014 C GLU 64 56.380 47.900 36.810 +ATOM 1015 O GLU 64 55.510 47.380 36.110 +ATOM 1016 N LYS 65 56.190 48.310 38.100 +ATOM 1017 H LYS 65 56.944 48.762 38.598 +ATOM 1018 CA LYS 65 54.950 48.080 38.800 +ATOM 1019 HA LYS 65 54.663 47.029 38.758 +ATOM 1020 CB LYS 65 55.170 48.480 40.300 +ATOM 1021 2HB LYS 65 56.033 47.891 40.611 +ATOM 1022 3HB LYS 65 55.445 49.534 40.259 +ATOM 1023 CG LYS 65 54.040 48.290 41.300 +ATOM 1024 2HG LYS 65 53.144 48.799 40.944 +ATOM 1025 3HG LYS 65 53.830 47.227 41.421 +ATOM 1026 CD LYS 65 54.460 48.880 42.640 +ATOM 1027 2HD LYS 65 55.469 48.564 42.905 +ATOM 1028 3HD LYS 65 54.415 49.969 42.617 +ATOM 1029 CE LYS 65 53.470 48.350 43.680 +ATOM 1030 2HE LYS 65 52.487 48.363 43.209 +ATOM 1031 3HE LYS 65 53.759 47.320 43.889 +ATOM 1032 NZ LYS 65 53.420 49.110 44.940 +ATOM 1033 1HZ LYS 65 53.152 50.064 44.747 +ATOM 1034 2HZ LYS 65 52.743 48.689 45.560 +ATOM 1035 3HZ LYS 65 54.331 49.098 45.377 +ATOM 1036 C LYS 65 53.820 48.890 38.160 +ATOM 1037 O LYS 65 52.820 48.290 37.710 +ATOM 1038 N LEU 66 54.110 50.220 38.030 +ATOM 1039 H LEU 66 54.925 50.557 38.522 +ATOM 1040 CA LEU 66 53.280 51.200 37.290 +ATOM 1041 HA LEU 66 52.361 51.328 37.862 +ATOM 1042 CB LEU 66 53.920 52.620 37.040 +ATOM 1043 2HB LEU 66 54.856 52.437 36.512 +ATOM 1044 3HB LEU 66 53.230 53.149 36.383 +ATOM 1045 CG LEU 66 54.200 53.490 38.310 +ATOM 1046 HG LEU 66 54.711 52.885 39.059 +ATOM 1047 CD1 LEU 66 55.080 54.680 37.930 +ATOM 1048 1HD1 LEU 66 54.570 55.285 37.181 +ATOM 1049 2HD1 LEU 66 55.275 55.286 38.815 +ATOM 1050 3HD1 LEU 66 56.024 54.319 37.523 +ATOM 1051 CD2 LEU 66 52.930 54.040 38.950 +ATOM 1052 1HD2 LEU 66 52.287 53.213 39.252 +ATOM 1053 2HD2 LEU 66 53.192 54.634 39.825 +ATOM 1054 3HD2 LEU 66 52.402 54.666 38.231 +ATOM 1055 C LEU 66 52.820 50.750 35.970 +ATOM 1056 O LEU 66 51.620 50.800 35.620 +ATOM 1057 N PHE 67 53.820 50.260 35.190 +ATOM 1058 H PHE 67 54.748 50.461 35.536 +ATOM 1059 CA PHE 67 53.690 49.600 33.870 +ATOM 1060 HA PHE 67 53.171 50.246 33.162 +ATOM 1061 CB PHE 67 55.080 49.320 33.340 +ATOM 1062 2HB PHE 67 55.539 50.227 32.947 +ATOM 1063 3HB PHE 67 55.664 48.955 34.185 +ATOM 1064 CG PHE 67 55.190 48.270 32.250 +ATOM 1065 CD1 PHE 67 54.510 48.460 31.040 +ATOM 1066 HD1 PHE 67 53.879 49.346 30.969 +ATOM 1067 CE1 PHE 67 54.610 47.570 29.940 +ATOM 1068 HE1 PHE 67 53.953 47.664 29.076 +ATOM 1069 CZ PHE 67 55.610 46.520 29.980 +ATOM 1070 HZ PHE 67 55.885 45.931 29.106 +ATOM 1071 CE2 PHE 67 56.250 46.270 31.250 +ATOM 1072 HE2 PHE 67 56.925 45.419 31.342 +ATOM 1073 CD2 PHE 67 56.010 47.120 32.380 +ATOM 1074 HD2 PHE 67 56.459 46.884 33.345 +ATOM 1075 C PHE 67 52.790 48.360 33.930 +ATOM 1076 O PHE 67 51.810 48.290 33.220 +ATOM 1077 N ASN 68 52.980 47.500 34.930 +ATOM 1078 H ASN 68 53.832 47.629 35.456 +ATOM 1079 CA ASN 68 52.130 46.290 35.230 +ATOM 1080 HA ASN 68 52.034 45.705 34.315 +ATOM 1081 CB ASN 68 52.710 45.390 36.330 +ATOM 1082 2HB ASN 68 53.229 45.921 37.128 +ATOM 1083 3HB ASN 68 51.867 44.841 36.749 +ATOM 1084 CG ASN 68 53.660 44.410 35.710 +ATOM 1085 OD1 ASN 68 53.250 43.310 35.280 +ATOM 1086 ND2 ASN 68 54.960 44.820 35.540 +ATOM 1087 1HD2 ASN 68 55.634 44.192 35.126 +ATOM 1088 2HD2 ASN 68 55.236 45.747 35.830 +ATOM 1089 C ASN 68 50.600 46.650 35.540 +ATOM 1090 O ASN 68 49.710 46.050 34.850 +ATOM 1091 N GLN 69 50.410 47.680 36.380 +ATOM 1092 H GLN 69 51.212 47.949 36.932 +ATOM 1093 CA GLN 69 49.170 48.370 36.600 +ATOM 1094 HA GLN 69 48.372 47.681 36.875 +ATOM 1095 CB GLN 69 49.400 49.340 37.760 +ATOM 1096 2HB GLN 69 50.281 49.926 37.498 +ATOM 1097 3HB GLN 69 48.527 49.992 37.791 +ATOM 1098 CG GLN 69 49.610 48.680 39.170 +ATOM 1099 2HG GLN 69 48.647 48.230 39.412 +ATOM 1100 3HG GLN 69 50.385 47.913 39.194 +ATOM 1101 CD GLN 69 49.930 49.720 40.210 +ATOM 1102 OE1 GLN 69 49.720 50.930 39.950 +ATOM 1103 NE2 GLN 69 50.510 49.350 41.280 +ATOM 1104 1HE2 GLN 69 50.734 50.031 41.991 +ATOM 1105 2HE2 GLN 69 50.744 48.377 41.413 +ATOM 1106 C GLN 69 48.570 49.140 35.370 +ATOM 1107 O GLN 69 47.390 49.230 35.140 +ATOM 1108 N ASP 70 49.400 49.580 34.390 +ATOM 1109 H ASP 70 50.376 49.551 34.647 +ATOM 1110 CA ASP 70 49.030 50.210 33.090 +ATOM 1111 HA ASP 70 48.039 50.657 33.161 +ATOM 1112 CB ASP 70 50.040 51.310 32.730 +ATOM 1113 2HB ASP 70 50.572 51.709 33.594 +ATOM 1114 3HB ASP 70 50.744 50.796 32.076 +ATOM 1115 CG ASP 70 49.400 52.420 31.990 +ATOM 1116 OD1 ASP 70 49.640 52.510 30.750 +ATOM 1117 OD2 ASP 70 48.570 53.120 32.610 +ATOM 1118 C ASP 70 48.820 49.270 31.930 +ATOM 1119 O ASP 70 48.060 49.640 31.030 +ATOM 1120 N VAL 71 49.390 48.030 31.870 +ATOM 1121 H VAL 71 50.066 47.759 32.570 +ATOM 1122 CA VAL 71 49.030 47.020 30.780 +ATOM 1123 HA VAL 71 48.992 47.579 29.845 +ATOM 1124 CB VAL 71 50.020 45.800 30.600 +ATOM 1125 HB VAL 71 50.097 45.302 31.566 +ATOM 1126 CG1 VAL 71 49.580 44.800 29.550 +ATOM 1127 1HG1 VAL 71 49.503 45.297 28.583 +ATOM 1128 2HG1 VAL 71 50.311 43.994 29.486 +ATOM 1129 3HG1 VAL 71 48.609 44.388 29.824 +ATOM 1130 CG2 VAL 71 51.430 46.250 30.160 +ATOM 1131 1HG2 VAL 71 51.850 46.917 30.912 +ATOM 1132 2HG2 VAL 71 52.073 45.377 30.050 +ATOM 1133 3HG2 VAL 71 51.364 46.774 29.207 +ATOM 1134 C VAL 71 47.670 46.500 31.230 +ATOM 1135 O VAL 71 46.720 46.520 30.430 +ATOM 1136 N ASP 72 47.520 46.070 32.500 +ATOM 1137 H ASP 72 48.369 45.743 32.938 +ATOM 1138 CA ASP 72 46.210 45.750 33.160 +ATOM 1139 HA ASP 72 45.794 44.852 32.704 +ATOM 1140 CB ASP 72 46.370 45.500 34.720 +ATOM 1141 2HB ASP 72 47.003 44.655 34.992 +ATOM 1142 3HB ASP 72 46.839 46.426 35.052 +ATOM 1143 CG ASP 72 44.990 45.350 35.400 +ATOM 1144 OD1 ASP 72 44.480 44.210 35.340 +ATOM 1145 OD2 ASP 72 44.550 46.310 36.090 +ATOM 1146 C ASP 72 45.030 46.610 32.770 +ATOM 1147 O ASP 72 43.950 46.100 32.320 +ATOM 1148 N ALA 73 45.100 47.890 33.110 +ATOM 1149 H ALA 73 45.847 48.094 33.758 +ATOM 1150 CA ALA 73 44.200 49.000 32.700 +ATOM 1151 HA ALA 73 43.298 48.988 33.312 +ATOM 1152 CB ALA 73 44.910 50.320 32.910 +ATOM 1153 1HB ALA 73 45.811 50.350 32.297 +ATOM 1154 2HB ALA 73 44.249 51.138 32.624 +ATOM 1155 3HB ALA 73 45.183 50.423 33.960 +ATOM 1156 C ALA 73 43.760 48.840 31.250 +ATOM 1157 O ALA 73 42.610 48.810 30.940 +ATOM 1158 N ALA 74 44.750 48.820 30.340 +ATOM 1159 H ALA 74 45.664 48.938 30.753 +ATOM 1160 CA ALA 74 44.650 48.750 28.870 +ATOM 1161 HA ALA 74 44.115 49.658 28.591 +ATOM 1162 CB ALA 74 46.100 48.800 28.230 +ATOM 1163 1HB ALA 74 46.645 47.893 28.493 +ATOM 1164 2HB ALA 74 46.017 48.872 27.146 +ATOM 1165 3HB ALA 74 46.636 49.669 28.611 +ATOM 1166 C ALA 74 43.880 47.560 28.300 +ATOM 1167 O ALA 74 42.920 47.690 27.500 +ATOM 1168 N VAL 75 44.270 46.370 28.720 +ATOM 1169 H VAL 75 45.087 46.384 29.314 +ATOM 1170 CA VAL 75 43.620 45.030 28.420 +ATOM 1171 HA VAL 75 43.519 44.756 27.370 +ATOM 1172 CB VAL 75 44.240 43.860 29.170 +ATOM 1173 HB VAL 75 44.466 44.269 30.155 +ATOM 1174 CG1 VAL 75 43.450 42.530 29.330 +ATOM 1175 1HG1 VAL 75 43.224 42.120 28.346 +ATOM 1176 2HG1 VAL 75 44.051 41.815 29.891 +ATOM 1177 3HG1 VAL 75 42.520 42.721 29.865 +ATOM 1178 CG2 VAL 75 45.720 43.540 28.710 +ATOM 1179 1HG2 VAL 75 46.351 44.412 28.881 +ATOM 1180 2HG2 VAL 75 46.105 42.696 29.283 +ATOM 1181 3HG2 VAL 75 45.725 43.291 27.649 +ATOM 1182 C VAL 75 42.150 45.060 28.820 +ATOM 1183 O VAL 75 41.270 44.740 28.060 +ATOM 1184 N ARG 76 41.830 45.580 30.050 +ATOM 1185 H ARG 76 42.571 45.785 30.705 +ATOM 1186 CA ARG 76 40.400 45.750 30.510 +ATOM 1187 HA ARG 76 39.896 44.787 30.432 +ATOM 1188 CB ARG 76 40.280 46.270 32.020 +ATOM 1189 2HB ARG 76 41.080 46.988 32.199 +ATOM 1190 3HB ARG 76 39.316 46.765 32.136 +ATOM 1191 CG ARG 76 40.390 45.110 33.040 +ATOM 1192 2HG ARG 76 39.602 44.388 32.826 +ATOM 1193 3HG ARG 76 41.362 44.633 32.915 +ATOM 1194 CD ARG 76 40.250 45.600 34.460 +ATOM 1195 2HD ARG 76 39.329 46.178 34.532 +ATOM 1196 3HD ARG 76 40.186 44.732 35.116 +ATOM 1197 NE ARG 76 41.340 46.420 34.890 +ATOM 1198 HE ARG 76 42.241 46.082 34.583 +ATOM 1199 CZ ARG 76 41.280 47.600 35.510 +ATOM 1200 NH1 ARG 76 40.200 48.090 36.000 +ATOM 1201 1HH1 ARG 76 39.335 47.574 35.925 +ATOM 1202 2HH1 ARG 76 40.220 48.990 36.458 +ATOM 1203 NH2 ARG 76 42.340 48.210 35.750 +ATOM 1204 1HH2 ARG 76 43.224 47.807 35.475 +ATOM 1205 2HH2 ARG 76 42.309 49.104 36.219 +ATOM 1206 C ARG 76 39.650 46.700 29.490 +ATOM 1207 O ARG 76 38.530 46.450 29.230 +ATOM 1208 N GLY 77 40.390 47.730 28.890 +ATOM 1209 H GLY 77 41.293 47.948 29.286 +ATOM 1210 CA GLY 77 39.930 48.510 27.720 +ATOM 1211 2HA GLY 77 39.199 49.230 28.089 +ATOM 1212 3HA GLY 77 40.800 49.042 27.334 +ATOM 1213 C GLY 77 39.280 47.670 26.550 +ATOM 1214 O GLY 77 38.200 47.890 26.010 +ATOM 1215 N ILE 78 40.090 46.730 26.190 +ATOM 1216 H ILE 78 41.062 46.802 26.456 +ATOM 1217 CA ILE 78 39.710 45.710 25.170 +ATOM 1218 HA ILE 78 39.138 46.190 24.376 +ATOM 1219 CB ILE 78 40.910 44.970 24.560 +ATOM 1220 HB ILE 78 41.366 44.384 25.358 +ATOM 1221 CG2 ILE 78 40.540 44.030 23.370 +ATOM 1222 1HG2 ILE 78 40.085 44.616 22.571 +ATOM 1223 2HG2 ILE 78 41.441 43.545 22.995 +ATOM 1224 3HG2 ILE 78 39.835 43.272 23.711 +ATOM 1225 CG1 ILE 78 41.990 45.990 24.070 +ATOM 1226 2HG1 ILE 78 41.584 46.601 23.264 +ATOM 1227 3HG1 ILE 78 42.293 46.634 24.896 +ATOM 1228 CD1 ILE 78 43.270 45.170 23.530 +ATOM 1229 1HD1 ILE 78 42.968 44.526 22.704 +ATOM 1230 2HD1 ILE 78 44.031 45.870 23.185 +ATOM 1231 3HD1 ILE 78 43.677 44.559 24.336 +ATOM 1232 C ILE 78 38.580 44.840 25.660 +ATOM 1233 O ILE 78 37.610 44.650 24.930 +ATOM 1234 N LEU 79 38.710 44.190 26.780 +ATOM 1235 H LEU 79 39.578 44.251 27.292 +ATOM 1236 CA LEU 79 37.660 43.320 27.300 +ATOM 1237 HA LEU 79 37.409 42.496 26.633 +ATOM 1238 CB LEU 79 38.290 42.750 28.560 +ATOM 1239 2HB LEU 79 38.567 43.685 29.047 +ATOM 1240 3HB LEU 79 37.501 42.262 29.132 +ATOM 1241 CG LEU 79 39.500 41.840 28.490 +ATOM 1242 HG LEU 79 40.312 42.420 28.051 +ATOM 1243 CD1 LEU 79 39.940 41.290 29.830 +ATOM 1244 1HD1 LEU 79 39.129 40.710 30.269 +ATOM 1245 2HD1 LEU 79 40.811 40.649 29.692 +ATOM 1246 3HD1 LEU 79 40.198 42.114 30.495 +ATOM 1247 CD2 LEU 79 39.250 40.710 27.470 +ATOM 1248 1HD2 LEU 79 39.068 41.142 26.486 +ATOM 1249 2HD2 LEU 79 40.124 40.060 27.425 +ATOM 1250 3HD2 LEU 79 38.381 40.128 27.777 +ATOM 1251 C LEU 79 36.310 43.990 27.580 +ATOM 1252 O LEU 79 35.240 43.540 27.130 +ATOM 1253 N ARG 80 36.340 45.190 28.190 +ATOM 1254 H ARG 80 37.138 45.458 28.748 +ATOM 1255 CA ARG 80 35.150 46.090 28.180 +ATOM 1256 HA ARG 80 34.318 45.603 28.688 +ATOM 1257 CB ARG 80 35.460 47.410 28.900 +ATOM 1258 2HB ARG 80 36.413 47.799 28.541 +ATOM 1259 3HB ARG 80 34.670 48.130 28.685 +ATOM 1260 CG ARG 80 35.540 47.180 30.400 +ATOM 1261 2HG ARG 80 34.658 46.600 30.671 +ATOM 1262 3HG ARG 80 36.435 46.583 30.574 +ATOM 1263 CD ARG 80 35.600 48.470 31.270 +ATOM 1264 2HD ARG 80 34.669 49.012 31.103 +ATOM 1265 3HD ARG 80 35.653 48.152 32.311 +ATOM 1266 NE ARG 80 36.710 49.360 31.000 +ATOM 1267 HE ARG 80 37.427 49.269 31.705 +ATOM 1268 CZ ARG 80 36.920 50.170 30.000 +ATOM 1269 NH1 ARG 80 36.040 50.550 29.160 +ATOM 1270 1HH1 ARG 80 35.090 50.217 29.243 +ATOM 1271 2HH1 ARG 80 36.297 51.182 28.415 +ATOM 1272 NH2 ARG 80 38.050 50.700 29.830 +ATOM 1273 1HH2 ARG 80 38.802 50.497 30.473 +ATOM 1274 2HH2 ARG 80 38.199 51.326 29.051 +ATOM 1275 C ARG 80 34.580 46.330 26.750 +ATOM 1276 O ARG 80 33.370 46.010 26.460 +ATOM 1277 N ASN 81 35.270 47.000 25.850 +ATOM 1278 H ASN 81 36.204 47.244 26.148 +ATOM 1279 CA ASN 81 34.760 47.610 24.690 +ATOM 1280 HA ASN 81 33.854 48.169 24.925 +ATOM 1281 CB ASN 81 35.800 48.580 24.120 +ATOM 1282 2HB ASN 81 35.975 49.355 24.866 +ATOM 1283 3HB ASN 81 36.726 48.035 23.938 +ATOM 1284 CG ASN 81 35.360 49.250 22.810 +ATOM 1285 OD1 ASN 81 35.100 48.570 21.770 +ATOM 1286 ND2 ASN 81 35.290 50.560 22.850 +ATOM 1287 1HD2 ASN 81 35.008 51.073 22.027 +ATOM 1288 2HD2 ASN 81 35.519 51.049 23.704 +ATOM 1289 C ASN 81 34.100 46.600 23.740 +ATOM 1290 O ASN 81 34.620 45.500 23.510 +ATOM 1291 N ALA 82 32.880 46.920 23.270 +ATOM 1292 H ALA 82 32.603 47.853 23.541 +ATOM 1293 CA ALA 82 31.910 46.090 22.510 +ATOM 1294 HA ALA 82 31.882 45.053 22.843 +ATOM 1295 CB ALA 82 30.550 46.730 22.790 +ATOM 1296 1HB ALA 82 30.559 47.767 22.453 +ATOM 1297 2HB ALA 82 29.773 46.182 22.256 +ATOM 1298 3HB ALA 82 30.346 46.698 23.860 +ATOM 1299 C ALA 82 32.300 46.030 21.000 +ATOM 1300 O ALA 82 32.110 45.000 20.320 +ATOM 1301 N LYS 83 33.160 46.980 20.450 +ATOM 1302 H LYS 83 33.371 47.768 21.045 +ATOM 1303 CA LYS 83 33.700 46.970 19.110 +ATOM 1304 HA LYS 83 32.939 46.601 18.422 +ATOM 1305 CB LYS 83 34.130 48.360 18.660 +ATOM 1306 2HB LYS 83 33.399 49.056 19.071 +ATOM 1307 3HB LYS 83 35.103 48.544 19.116 +ATOM 1308 CG LYS 83 34.230 48.560 17.160 +ATOM 1309 2HG LYS 83 34.589 49.569 16.957 +ATOM 1310 3HG LYS 83 34.933 47.836 16.749 +ATOM 1311 CD LYS 83 32.820 48.360 16.490 +ATOM 1312 2HD LYS 83 32.136 47.851 17.169 +ATOM 1313 3HD LYS 83 32.391 49.317 16.193 +ATOM 1314 CE LYS 83 33.040 47.510 15.270 +ATOM 1315 2HE LYS 83 33.856 47.939 14.688 +ATOM 1316 3HE LYS 83 33.312 46.504 15.590 +ATOM 1317 NZ LYS 83 31.840 47.450 14.450 +ATOM 1318 1HZ LYS 83 31.588 48.382 14.153 +ATOM 1319 2HZ LYS 83 32.015 46.874 13.639 +ATOM 1320 3HZ LYS 83 31.084 47.052 14.989 +ATOM 1321 C LYS 83 34.870 45.940 19.140 +ATOM 1322 O LYS 83 34.940 45.100 18.250 +ATOM 1323 N LEU 84 35.710 46.160 20.160 +ATOM 1324 H LEU 84 35.413 46.768 20.910 +ATOM 1325 CA LEU 84 37.100 45.540 20.240 +ATOM 1326 HA LEU 84 37.610 45.583 19.277 +ATOM 1327 CB LEU 84 37.900 46.350 21.250 +ATOM 1328 2HB LEU 84 37.341 46.342 22.186 +ATOM 1329 3HB LEU 84 38.801 45.747 21.361 +ATOM 1330 CG LEU 84 38.290 47.790 20.900 +ATOM 1331 HG LEU 84 37.387 48.351 20.660 +ATOM 1332 CD1 LEU 84 39.030 48.480 22.110 +ATOM 1333 1HD1 LEU 84 39.934 47.920 22.351 +ATOM 1334 2HD1 LEU 84 39.297 49.501 21.838 +ATOM 1335 3HD1 LEU 84 38.371 48.496 22.978 +ATOM 1336 CD2 LEU 84 39.280 47.620 19.750 +ATOM 1337 1HD2 LEU 84 38.790 47.109 18.921 +ATOM 1338 2HD2 LEU 84 39.626 48.600 19.420 +ATOM 1339 3HD2 LEU 84 40.132 47.030 20.087 +ATOM 1340 C LEU 84 37.060 44.040 20.690 +ATOM 1341 O LEU 84 37.640 43.230 20.000 +ATOM 1342 N LYS 85 36.360 43.670 21.720 +ATOM 1343 H LYS 85 35.927 44.393 22.277 +ATOM 1344 CA LYS 85 36.320 42.340 22.200 +ATOM 1345 HA LYS 85 37.316 42.014 22.500 +ATOM 1346 CB LYS 85 35.400 42.270 23.410 +ATOM 1347 2HB LYS 85 35.649 43.173 23.967 +ATOM 1348 3HB LYS 85 34.406 42.374 22.976 +ATOM 1349 CG LYS 85 35.420 41.060 24.360 +ATOM 1350 2HG LYS 85 36.473 40.938 24.612 +ATOM 1351 3HG LYS 85 34.874 41.403 25.239 +ATOM 1352 CD LYS 85 34.840 39.700 23.890 +ATOM 1353 2HD LYS 85 33.864 39.807 23.417 +ATOM 1354 3HD LYS 85 35.514 39.173 23.215 +ATOM 1355 CE LYS 85 34.690 38.890 25.210 +ATOM 1356 2HE LYS 85 35.655 38.940 25.715 +ATOM 1357 3HE LYS 85 33.940 39.409 25.807 +ATOM 1358 NZ LYS 85 34.310 37.530 25.050 +ATOM 1359 1HZ LYS 85 35.005 37.049 24.497 +ATOM 1360 2HZ LYS 85 34.239 37.091 25.957 +ATOM 1361 3HZ LYS 85 33.416 37.483 24.582 +ATOM 1362 C LYS 85 36.010 41.200 21.180 +ATOM 1363 O LYS 85 36.660 40.180 21.270 +ATOM 1364 N PRO 86 34.990 41.200 20.340 +ATOM 1365 CD PRO 86 34.100 42.340 20.050 +ATOM 1366 2HD PRO 86 34.513 42.955 19.251 +ATOM 1367 3HD PRO 86 33.958 42.951 20.941 +ATOM 1368 CG PRO 86 32.850 41.630 19.640 +ATOM 1369 2HG PRO 86 32.226 42.300 19.049 +ATOM 1370 3HG PRO 86 32.302 41.312 20.527 +ATOM 1371 CB PRO 86 33.300 40.440 18.830 +ATOM 1372 2HB PRO 86 33.473 40.800 17.816 +ATOM 1373 3HB PRO 86 32.614 39.593 18.803 +ATOM 1374 CA PRO 86 34.680 40.000 19.490 +ATOM 1375 HA PRO 86 34.612 39.120 20.130 +ATOM 1376 C PRO 86 35.760 39.790 18.460 +ATOM 1377 O PRO 86 36.040 38.650 18.110 +ATOM 1378 N VAL 87 36.360 40.880 17.960 +ATOM 1379 H VAL 87 35.846 41.747 17.892 +ATOM 1380 CA VAL 87 37.650 40.780 17.270 +ATOM 1381 HA VAL 87 37.692 39.929 16.591 +ATOM 1382 CB VAL 87 38.110 42.040 16.510 +ATOM 1383 HB VAL 87 38.465 42.772 17.236 +ATOM 1384 CG1 VAL 87 39.290 41.700 15.470 +ATOM 1385 1HG1 VAL 87 38.935 40.969 14.744 +ATOM 1386 2HG1 VAL 87 39.591 42.610 14.951 +ATOM 1387 3HG1 VAL 87 40.144 41.291 16.010 +ATOM 1388 CG2 VAL 87 36.990 42.850 15.810 +ATOM 1389 1HG2 VAL 87 36.268 43.189 16.553 +ATOM 1390 2HG2 VAL 87 37.425 43.713 15.307 +ATOM 1391 3HG2 VAL 87 36.488 42.218 15.077 +ATOM 1392 C VAL 87 38.740 40.210 18.110 +ATOM 1393 O VAL 87 39.340 39.250 17.700 +ATOM 1394 N TYR 88 39.030 40.730 19.310 +ATOM 1395 H TYR 88 38.608 41.621 19.528 +ATOM 1396 CA TYR 88 40.080 40.220 20.200 +ATOM 1397 HA TYR 88 41.036 40.221 19.677 +ATOM 1398 CB TYR 88 40.200 41.060 21.400 +ATOM 1399 2HB TYR 88 40.557 41.994 20.967 +ATOM 1400 3HB TYR 88 39.172 41.187 21.740 +ATOM 1401 CG TYR 88 41.080 40.680 22.580 +ATOM 1402 CD1 TYR 88 42.450 41.110 22.550 +ATOM 1403 HD1 TYR 88 42.922 41.628 21.715 +ATOM 1404 CE1 TYR 88 43.190 40.820 23.700 +ATOM 1405 HE1 TYR 88 44.204 41.219 23.720 +ATOM 1406 CZ TYR 88 42.640 40.170 24.880 +ATOM 1407 OH TYR 88 43.430 39.950 25.930 +ATOM 1408 HH TYR 88 44.329 40.259 25.794 +ATOM 1409 CE2 TYR 88 41.300 39.650 24.790 +ATOM 1410 HE2 TYR 88 40.857 39.076 25.604 +ATOM 1411 CD2 TYR 88 40.580 39.890 23.650 +ATOM 1412 HD2 TYR 88 39.581 39.468 23.537 +ATOM 1413 C TYR 88 39.960 38.710 20.450 +ATOM 1414 O TYR 88 40.980 37.980 20.450 +ATOM 1415 N ASP 89 38.740 38.230 20.680 +ATOM 1416 H ASP 89 38.058 38.949 20.873 +ATOM 1417 CA ASP 89 38.320 36.810 20.800 +ATOM 1418 HA ASP 89 38.889 36.339 21.601 +ATOM 1419 CB ASP 89 36.800 36.670 21.120 +ATOM 1420 2HB ASP 89 36.795 37.332 21.986 +ATOM 1421 3HB ASP 89 36.227 37.125 20.312 +ATOM 1422 CG ASP 89 36.170 35.330 21.500 +ATOM 1423 OD1 ASP 89 36.850 34.440 22.070 +ATOM 1424 OD2 ASP 89 35.010 35.060 21.090 +ATOM 1425 C ASP 89 38.690 35.960 19.590 +ATOM 1426 O ASP 89 39.260 34.870 19.720 +ATOM 1427 N SER 90 38.520 36.500 18.380 +ATOM 1428 H SER 90 38.193 37.455 18.406 +ATOM 1429 CA SER 90 38.770 35.870 17.040 +ATOM 1430 HA SER 90 38.246 34.915 17.017 +ATOM 1431 CB SER 90 38.300 36.720 15.840 +ATOM 1432 2HB SER 90 38.257 35.981 15.040 +ATOM 1433 3HB SER 90 37.287 36.993 16.137 +ATOM 1434 OG SER 90 38.970 37.850 15.390 +ATOM 1435 HG SER 90 38.504 38.220 14.637 +ATOM 1436 C SER 90 40.240 35.610 16.750 +ATOM 1437 O SER 90 40.510 34.490 16.430 +ATOM 1438 N LEU 91 41.100 36.610 17.100 +ATOM 1439 H LEU 91 40.607 37.405 17.480 +ATOM 1440 CA LEU 91 42.570 36.710 16.930 +ATOM 1441 HA LEU 91 42.856 36.461 15.908 +ATOM 1442 CB LEU 91 43.000 38.130 17.220 +ATOM 1443 2HB LEU 91 42.685 38.409 18.225 +ATOM 1444 3HB LEU 91 44.089 38.108 17.174 +ATOM 1445 CG LEU 91 42.480 39.130 16.240 +ATOM 1446 HG LEU 91 41.391 39.103 16.193 +ATOM 1447 CD1 LEU 91 42.940 40.520 16.750 +ATOM 1448 1HD1 LEU 91 44.029 40.548 16.797 +ATOM 1449 2HD1 LEU 91 42.586 41.293 16.068 +ATOM 1450 3HD1 LEU 91 42.529 40.697 17.744 +ATOM 1451 CD2 LEU 91 43.000 39.040 14.820 +ATOM 1452 1HD2 LEU 91 42.750 38.065 14.402 +ATOM 1453 2HD2 LEU 91 42.542 39.823 14.215 +ATOM 1454 3HD2 LEU 91 44.082 39.168 14.820 +ATOM 1455 C LEU 91 43.390 35.720 17.780 +ATOM 1456 O LEU 91 43.130 35.550 19.000 +ATOM 1457 N ASP 92 44.370 35.040 17.110 +ATOM 1458 H ASP 92 44.433 35.025 16.102 +ATOM 1459 CA ASP 92 45.340 34.250 17.880 +ATOM 1460 HA ASP 92 44.814 33.556 18.536 +ATOM 1461 CB ASP 92 46.260 33.430 16.920 +ATOM 1462 2HB ASP 92 46.964 32.979 17.619 +ATOM 1463 3HB ASP 92 45.716 32.645 16.395 +ATOM 1464 CG ASP 92 47.030 34.290 15.900 +ATOM 1465 OD1 ASP 92 46.440 34.670 14.900 +ATOM 1466 OD2 ASP 92 48.260 34.410 16.140 +ATOM 1467 C ASP 92 46.220 35.110 18.810 +ATOM 1468 O ASP 92 46.440 36.260 18.570 +ATOM 1469 N ALA 93 46.810 34.590 19.880 +ATOM 1470 H ALA 93 46.839 33.582 19.941 +ATOM 1471 CA ALA 93 47.420 35.380 20.980 +ATOM 1472 HA ALA 93 46.630 35.905 21.517 +ATOM 1473 CB ALA 93 48.100 34.410 21.940 +ATOM 1474 1HB ALA 93 48.900 33.883 21.419 +ATOM 1475 2HB ALA 93 48.518 34.963 22.781 +ATOM 1476 3HB ALA 93 47.369 33.689 22.307 +ATOM 1477 C ALA 93 48.470 36.400 20.530 +ATOM 1478 O ALA 93 48.560 37.450 21.110 +ATOM 1479 N VAL 94 49.390 36.060 19.700 +ATOM 1480 H VAL 94 49.405 35.065 19.528 +ATOM 1481 CA VAL 94 50.460 36.840 19.210 +ATOM 1482 HA VAL 94 50.880 37.179 20.157 +ATOM 1483 CB VAL 94 51.520 36.070 18.460 +ATOM 1484 HB VAL 94 51.139 35.708 17.505 +ATOM 1485 CG1 VAL 94 52.680 37.060 18.210 +ATOM 1486 1HG1 VAL 94 53.062 37.422 19.165 +ATOM 1487 2HG1 VAL 94 53.479 36.555 17.668 +ATOM 1488 3HG1 VAL 94 52.318 37.903 17.621 +ATOM 1489 CG2 VAL 94 52.200 35.010 19.390 +ATOM 1490 1HG2 VAL 94 51.448 34.309 19.753 +ATOM 1491 2HG2 VAL 94 52.960 34.467 18.828 +ATOM 1492 3HG2 VAL 94 52.666 35.514 20.237 +ATOM 1493 C VAL 94 49.900 38.100 18.470 +ATOM 1494 O VAL 94 50.330 39.270 18.730 +ATOM 1495 N ARG 95 48.760 37.990 17.690 +ATOM 1496 H ARG 95 48.351 37.080 17.531 +ATOM 1497 CA ARG 95 48.060 39.180 17.150 +ATOM 1498 HA ARG 95 48.777 39.909 16.771 +ATOM 1499 CB ARG 95 47.120 38.720 15.950 +ATOM 1500 2HB ARG 95 46.387 38.054 16.405 +ATOM 1501 3HB ARG 95 46.624 39.631 15.615 +ATOM 1502 CG ARG 95 47.780 38.010 14.730 +ATOM 1503 2HG ARG 95 48.721 38.541 14.590 +ATOM 1504 3HG ARG 95 47.983 37.000 15.087 +ATOM 1505 CD ARG 95 47.050 37.940 13.430 +ATOM 1506 2HD ARG 95 46.206 37.271 13.594 +ATOM 1507 3HD ARG 95 46.682 38.948 13.237 +ATOM 1508 NE ARG 95 47.790 37.480 12.260 +ATOM 1509 HE ARG 95 48.275 38.222 11.775 +ATOM 1510 CZ ARG 95 47.900 36.230 11.790 +ATOM 1511 NH1 ARG 95 47.500 35.200 12.450 +ATOM 1512 1HH1 ARG 95 47.083 35.319 13.362 +ATOM 1513 2HH1 ARG 95 47.605 34.277 12.053 +ATOM 1514 NH2 ARG 95 48.390 35.950 10.660 +ATOM 1515 1HH2 ARG 95 48.724 36.691 10.060 +ATOM 1516 2HH2 ARG 95 48.446 34.987 10.362 +ATOM 1517 C ARG 95 47.100 39.830 18.180 +ATOM 1518 O ARG 95 46.940 41.060 18.180 +ATOM 1519 N ARG 96 46.610 39.130 19.230 +ATOM 1520 H ARG 96 46.337 38.161 19.145 +ATOM 1521 CA ARG 96 46.220 39.880 20.490 +ATOM 1522 HA ARG 96 45.393 40.550 20.256 +ATOM 1523 CB ARG 96 45.780 38.930 21.640 +ATOM 1524 2HB ARG 96 46.639 38.329 21.938 +ATOM 1525 3HB ARG 96 45.453 39.538 22.483 +ATOM 1526 CG ARG 96 44.630 38.000 21.200 +ATOM 1527 2HG ARG 96 43.866 38.628 20.742 +ATOM 1528 3HG ARG 96 45.035 37.319 20.452 +ATOM 1529 CD ARG 96 44.000 37.180 22.360 +ATOM 1530 2HD ARG 96 44.724 36.467 22.754 +ATOM 1531 3HD ARG 96 43.676 37.847 23.159 +ATOM 1532 NE ARG 96 42.850 36.450 21.870 +ATOM 1533 HE ARG 96 42.791 36.402 20.863 +ATOM 1534 CZ ARG 96 42.000 35.800 22.560 +ATOM 1535 NH1 ARG 96 42.110 35.680 23.860 +ATOM 1536 1HH1 ARG 96 42.887 36.111 24.340 +ATOM 1537 2HH1 ARG 96 41.417 35.157 24.376 +ATOM 1538 NH2 ARG 96 40.900 35.280 22.150 +ATOM 1539 1HH2 ARG 96 40.634 35.369 21.180 +ATOM 1540 2HH2 ARG 96 40.306 34.785 22.800 +ATOM 1541 C ARG 96 47.200 40.950 20.980 +ATOM 1542 O ARG 96 46.860 42.100 21.120 +ATOM 1543 N ALA 97 48.420 40.490 21.330 +ATOM 1544 H ALA 97 48.605 39.500 21.408 +ATOM 1545 CA ALA 97 49.500 41.460 21.770 +ATOM 1546 HA ALA 97 49.205 41.881 22.731 +ATOM 1547 CB ALA 97 50.740 40.710 21.950 +ATOM 1548 1HB ALA 97 51.053 40.290 20.994 +ATOM 1549 2HB ALA 97 51.517 41.376 22.326 +ATOM 1550 3HB ALA 97 50.577 39.903 22.665 +ATOM 1551 C ALA 97 49.620 42.690 20.790 +ATOM 1552 O ALA 97 49.870 43.770 21.300 +ATOM 1553 N ALA 98 49.600 42.450 19.450 +ATOM 1554 H ALA 98 49.759 41.484 19.202 +ATOM 1555 CA ALA 98 49.550 43.440 18.380 +ATOM 1556 HA ALA 98 50.500 43.968 18.456 +ATOM 1557 CB ALA 98 49.410 42.900 16.980 +ATOM 1558 1HB ALA 98 48.459 42.376 16.886 +ATOM 1559 2HB ALA 98 49.443 43.724 16.267 +ATOM 1560 3HB ALA 98 50.227 42.209 16.773 +ATOM 1561 C ALA 98 48.470 44.470 18.770 +ATOM 1562 O ALA 98 48.770 45.600 18.880 +ATOM 1563 N ALA 99 47.200 44.080 18.950 +ATOM 1564 H ALA 99 47.043 43.160 18.565 +ATOM 1565 CA ALA 99 46.070 44.820 19.420 +ATOM 1566 HA ALA 99 45.974 45.560 18.626 +ATOM 1567 CB ALA 99 44.760 43.940 19.450 +ATOM 1568 1HB ALA 99 44.837 43.200 20.246 +ATOM 1569 2HB ALA 99 43.896 44.579 19.632 +ATOM 1570 3HB ALA 99 44.641 43.432 18.493 +ATOM 1571 C ALA 99 46.260 45.630 20.800 +ATOM 1572 O ALA 99 45.850 46.780 20.890 +ATOM 1573 N ILE 100 46.790 44.960 21.820 +ATOM 1574 H ILE 100 47.016 43.988 21.663 +ATOM 1575 CA ILE 100 47.030 45.540 23.200 +ATOM 1576 HA ILE 100 46.132 46.021 23.588 +ATOM 1577 CB ILE 100 47.510 44.410 24.220 +ATOM 1578 HB ILE 100 48.341 43.886 23.749 +ATOM 1579 CG2 ILE 100 47.940 44.930 25.550 +ATOM 1580 1HG2 ILE 100 47.109 45.454 26.022 +ATOM 1581 2HG2 ILE 100 48.251 44.099 26.183 +ATOM 1582 3HG2 ILE 100 48.775 45.618 25.419 +ATOM 1583 CG1 ILE 100 46.330 43.460 24.330 +ATOM 1584 2HG1 ILE 100 45.621 43.861 25.054 +ATOM 1585 3HG1 ILE 100 45.848 43.382 23.356 +ATOM 1586 CD1 ILE 100 46.800 42.050 24.790 +ATOM 1587 1HD1 ILE 100 47.282 42.127 25.765 +ATOM 1588 2HD1 ILE 100 45.939 41.385 24.862 +ATOM 1589 3HD1 ILE 100 47.509 41.648 24.066 +ATOM 1590 C ILE 100 48.090 46.650 22.990 +ATOM 1591 O ILE 100 47.850 47.680 23.530 +ATOM 1592 N ASN 101 49.110 46.420 22.170 +ATOM 1593 H ASN 101 49.182 45.513 21.731 +ATOM 1594 CA ASN 101 50.170 47.380 21.940 +ATOM 1595 HA ASN 101 50.678 47.653 22.865 +ATOM 1596 CB ASN 101 51.180 46.690 21.010 +ATOM 1597 2HB ASN 101 51.328 45.689 21.416 +ATOM 1598 3HB ASN 101 50.882 46.616 19.964 +ATOM 1599 CG ASN 101 52.520 47.460 21.090 +ATOM 1600 OD1 ASN 101 52.570 48.690 20.920 +ATOM 1601 ND2 ASN 101 53.670 46.820 21.230 +ATOM 1602 1HD2 ASN 101 54.533 47.343 21.280 +ATOM 1603 2HD2 ASN 101 53.680 45.812 21.286 +ATOM 1604 C ASN 101 49.580 48.640 21.390 +ATOM 1605 O ASN 101 49.860 49.690 21.900 +ATOM 1606 N MET 102 48.700 48.630 20.360 +ATOM 1607 H MET 102 48.744 47.836 19.738 +ATOM 1608 CA MET 102 47.890 49.780 19.960 +ATOM 1609 HA MET 102 48.532 50.602 19.645 +ATOM 1610 CB MET 102 47.010 49.400 18.820 +ATOM 1611 2HB MET 102 46.305 48.658 19.196 +ATOM 1612 3HB MET 102 46.468 50.298 18.524 +ATOM 1613 CG MET 102 47.740 48.840 17.630 +ATOM 1614 2HG MET 102 48.545 49.540 17.404 +ATOM 1615 3HG MET 102 48.165 47.888 17.948 +ATOM 1616 SD MET 102 46.750 48.580 16.150 +ATOM 1617 CE MET 102 46.210 50.210 15.620 +ATOM 1618 1HE MET 102 47.081 50.830 15.406 +ATOM 1619 2HE MET 102 45.601 50.117 14.721 +ATOM 1620 3HE MET 102 45.620 50.673 16.411 +ATOM 1621 C MET 102 47.190 50.520 21.130 +ATOM 1622 O MET 102 47.400 51.690 21.400 +ATOM 1623 N VAL 103 46.360 49.810 21.870 +ATOM 1624 H VAL 103 46.131 48.873 21.570 +ATOM 1625 CA VAL 103 45.620 50.380 23.020 +ATOM 1626 HA VAL 103 45.029 51.168 22.555 +ATOM 1627 CB VAL 103 44.650 49.370 23.710 +ATOM 1628 HB VAL 103 45.290 48.617 24.168 +ATOM 1629 CG1 VAL 103 43.710 49.920 24.740 +ATOM 1630 1HG1 VAL 103 43.069 50.673 24.282 +ATOM 1631 2HG1 VAL 103 43.095 49.113 25.139 +ATOM 1632 3HG1 VAL 103 44.282 50.374 25.549 +ATOM 1633 CG2 VAL 103 43.720 48.930 22.590 +ATOM 1634 1HG2 VAL 103 44.302 48.463 21.796 +ATOM 1635 2HG2 VAL 103 42.996 48.214 22.978 +ATOM 1636 3HG2 VAL 103 43.194 49.798 22.192 +ATOM 1637 C VAL 103 46.480 51.060 24.070 +ATOM 1638 O VAL 103 46.100 52.090 24.620 +ATOM 1639 N PHE 104 47.610 50.450 24.460 +ATOM 1640 H PHE 104 47.675 49.464 24.250 +ATOM 1641 CA PHE 104 48.660 51.060 25.330 +ATOM 1642 HA PHE 104 48.274 51.245 26.332 +ATOM 1643 CB PHE 104 49.830 50.080 25.430 +ATOM 1644 2HB PHE 104 49.489 49.045 25.455 +ATOM 1645 3HB PHE 104 50.455 50.235 24.551 +ATOM 1646 CG PHE 104 50.720 50.270 26.630 +ATOM 1647 CD1 PHE 104 51.810 51.220 26.590 +ATOM 1648 HD1 PHE 104 51.995 51.784 25.676 +ATOM 1649 CE1 PHE 104 52.630 51.420 27.720 +ATOM 1650 HE1 PHE 104 53.545 52.011 27.689 +ATOM 1651 CZ PHE 104 52.230 50.830 28.900 +ATOM 1652 HZ PHE 104 52.743 51.201 29.787 +ATOM 1653 CE2 PHE 104 51.260 49.840 29.020 +ATOM 1654 HE2 PHE 104 51.073 49.279 29.935 +ATOM 1655 CD2 PHE 104 50.500 49.580 27.870 +ATOM 1656 HD2 PHE 104 49.709 48.831 27.897 +ATOM 1657 C PHE 104 49.020 52.460 24.920 +ATOM 1658 O PHE 104 49.130 53.370 25.770 +ATOM 1659 N GLN 105 49.040 52.640 23.610 +ATOM 1660 H GLN 105 48.665 51.890 23.047 +ATOM 1661 CA GLN 105 49.530 53.840 22.930 +ATOM 1662 HA GLN 105 50.379 54.211 23.504 +ATOM 1663 CB GLN 105 49.980 53.640 21.440 +ATOM 1664 2HB GLN 105 50.545 52.709 21.390 +ATOM 1665 3HB GLN 105 49.078 53.550 20.834 +ATOM 1666 CG GLN 105 50.850 54.800 20.900 +ATOM 1667 2HG GLN 105 50.188 55.660 21.007 +ATOM 1668 3HG GLN 105 51.719 54.928 21.546 +ATOM 1669 CD GLN 105 51.310 54.730 19.500 +ATOM 1670 OE1 GLN 105 51.730 53.670 19.030 +ATOM 1671 NE2 GLN 105 51.350 55.810 18.800 +ATOM 1672 1HE2 GLN 105 51.663 55.775 17.840 +ATOM 1673 2HE2 GLN 105 51.068 56.687 19.214 +ATOM 1674 C GLN 105 48.390 54.870 22.890 +ATOM 1675 O GLN 105 48.690 56.040 23.100 +ATOM 1676 N MET 106 47.160 54.600 22.540 +ATOM 1677 H MET 106 46.872 53.638 22.431 +ATOM 1678 CA MET 106 46.200 55.660 22.190 +ATOM 1679 HA MET 106 46.506 56.616 22.616 +ATOM 1680 CB MET 106 46.160 55.800 20.590 +ATOM 1681 2HB MET 106 45.677 56.744 20.337 +ATOM 1682 3HB MET 106 47.184 55.805 20.217 +ATOM 1683 CG MET 106 45.380 54.630 19.940 +ATOM 1684 2HG MET 106 45.721 53.683 20.358 +ATOM 1685 3HG MET 106 44.313 54.747 20.131 +ATOM 1686 SD MET 106 45.660 54.630 18.200 +ATOM 1687 CE MET 106 47.170 53.610 17.990 +ATOM 1688 1HE MET 106 46.988 52.607 18.375 +ATOM 1689 2HE MET 106 47.425 53.551 16.932 +ATOM 1690 3HE MET 106 47.995 54.065 18.538 +ATOM 1691 C MET 106 44.880 55.350 22.810 +ATOM 1692 O MET 106 43.960 56.090 22.400 +ATOM 1693 N GLY 107 44.690 54.300 23.520 +ATOM 1694 H GLY 107 45.460 53.669 23.691 +ATOM 1695 CA GLY 107 43.360 53.970 24.110 +ATOM 1696 2HA GLY 107 43.600 53.357 24.979 +ATOM 1697 3HA GLY 107 42.971 54.933 24.442 +ATOM 1698 C GLY 107 42.290 53.260 23.280 +ATOM 1699 O GLY 107 42.340 53.360 22.070 +ATOM 1700 N GLU 108 41.300 52.670 23.960 +ATOM 1701 H GLU 108 41.362 52.776 24.963 +ATOM 1702 CA GLU 108 40.210 51.840 23.410 +ATOM 1703 HA GLU 108 40.573 50.934 22.925 +ATOM 1704 CB GLU 108 39.380 51.440 24.640 +ATOM 1705 2HB GLU 108 38.551 50.843 24.259 +ATOM 1706 3HB GLU 108 40.031 50.811 25.248 +ATOM 1707 CG GLU 108 38.830 52.590 25.500 +ATOM 1708 2HG GLU 108 39.640 53.314 25.586 +ATOM 1709 3HG GLU 108 38.005 53.033 24.942 +ATOM 1710 CD GLU 108 38.350 52.200 26.890 +ATOM 1711 OE1 GLU 108 39.150 52.310 27.830 +ATOM 1712 OE2 GLU 108 37.160 51.780 26.970 +ATOM 1713 C GLU 108 39.400 52.610 22.300 +ATOM 1714 O GLU 108 39.220 52.080 21.170 +ATOM 1715 N THR 109 39.000 53.840 22.560 +ATOM 1716 H THR 109 39.244 54.273 23.439 +ATOM 1717 CA THR 109 38.200 54.590 21.630 +ATOM 1718 HA THR 109 37.333 53.971 21.398 +ATOM 1719 CB THR 109 37.700 55.960 22.190 +ATOM 1720 HB THR 109 38.465 56.715 22.006 +ATOM 1721 CG2 THR 109 36.370 56.390 21.500 +ATOM 1722 1HG2 THR 109 35.605 55.636 21.684 +ATOM 1723 2HG2 THR 109 36.042 57.347 21.907 +ATOM 1724 3HG2 THR 109 36.532 56.488 20.427 +ATOM 1725 OG1 THR 109 37.430 55.800 23.610 +ATOM 1726 1HG THR 109 37.121 56.633 23.973 +ATOM 1727 C THR 109 38.980 54.890 20.340 +ATOM 1728 O THR 109 38.420 54.910 19.220 +ATOM 1729 N GLY 110 40.260 55.170 20.490 +ATOM 1730 H GLY 110 40.556 55.187 21.455 +ATOM 1731 CA GLY 110 41.230 55.440 19.480 +ATOM 1732 2HA GLY 110 40.892 56.279 18.871 +ATOM 1733 3HA GLY 110 42.180 55.693 19.951 +ATOM 1734 C GLY 110 41.430 54.220 18.580 +ATOM 1735 O GLY 110 41.160 54.290 17.360 +ATOM 1736 N VAL 111 41.740 53.030 19.080 +ATOM 1737 H VAL 111 42.075 53.067 20.032 +ATOM 1738 CA VAL 111 41.760 51.690 18.360 +ATOM 1739 HA VAL 111 42.390 51.773 17.474 +ATOM 1740 CB VAL 111 42.370 50.680 19.290 +ATOM 1741 HB VAL 111 41.681 50.608 20.132 +ATOM 1742 CG1 VAL 111 42.640 49.280 18.730 +ATOM 1743 1HG1 VAL 111 43.329 49.351 17.889 +ATOM 1744 2HG1 VAL 111 43.080 48.656 19.508 +ATOM 1745 3HG1 VAL 111 41.703 48.835 18.395 +ATOM 1746 CG2 VAL 111 43.820 51.180 19.750 +ATOM 1747 1HG2 VAL 111 43.729 52.137 20.264 +ATOM 1748 2HG2 VAL 111 44.261 50.446 20.425 +ATOM 1749 3HG2 VAL 111 44.459 51.298 18.875 +ATOM 1750 C VAL 111 40.400 51.190 17.790 +ATOM 1751 O VAL 111 40.360 50.660 16.650 +ATOM 1752 N ALA 112 39.300 51.240 18.550 +ATOM 1753 H ALA 112 39.363 51.488 19.527 +ATOM 1754 CA ALA 112 37.930 50.940 17.970 +ATOM 1755 HA ALA 112 37.893 49.895 17.664 +ATOM 1756 CB ALA 112 36.810 51.190 19.030 +ATOM 1757 1HB ALA 112 36.829 52.235 19.340 +ATOM 1758 2HB ALA 112 35.838 50.958 18.594 +ATOM 1759 3HB ALA 112 36.980 50.552 19.897 +ATOM 1760 C ALA 112 37.610 51.820 16.770 +ATOM 1761 O ALA 112 36.760 51.390 15.990 +ATOM 1762 N GLY 113 38.160 53.030 16.590 +ATOM 1763 H GLY 113 38.651 53.383 17.399 +ATOM 1764 CA GLY 113 38.120 53.890 15.340 +ATOM 1765 2HA GLY 113 37.090 54.219 15.201 +ATOM 1766 3HA GLY 113 38.757 54.757 15.518 +ATOM 1767 C GLY 113 38.610 53.150 14.020 +ATOM 1768 O GLY 113 38.190 53.560 12.960 +ATOM 1769 N PHE 114 39.510 52.110 14.130 +ATOM 1770 H PHE 114 40.026 51.948 14.983 +ATOM 1771 CA PHE 114 39.920 51.340 12.880 +ATOM 1772 HA PHE 114 40.004 52.023 12.035 +ATOM 1773 CB PHE 114 41.310 50.640 13.100 +ATOM 1774 2HB PHE 114 41.425 49.857 13.850 +ATOM 1775 3HB PHE 114 41.346 50.197 12.105 +ATOM 1776 CG PHE 114 42.530 51.540 13.220 +ATOM 1777 CD1 PHE 114 42.910 52.060 14.430 +ATOM 1778 HD1 PHE 114 42.328 51.893 15.337 +ATOM 1779 CE1 PHE 114 44.060 52.810 14.480 +ATOM 1780 HE1 PHE 114 44.265 53.355 15.401 +ATOM 1781 CZ PHE 114 44.950 52.890 13.410 +ATOM 1782 HZ PHE 114 45.854 53.495 13.483 +ATOM 1783 CE2 PHE 114 44.680 52.200 12.260 +ATOM 1784 HE2 PHE 114 45.389 52.164 11.433 +ATOM 1785 CD2 PHE 114 43.440 51.520 12.160 +ATOM 1786 HD2 PHE 114 43.189 50.975 11.250 +ATOM 1787 C PHE 114 38.870 50.390 12.260 +ATOM 1788 O PHE 114 39.190 49.230 12.160 +ATOM 1789 N THR 115 37.710 50.970 11.840 +ATOM 1790 H THR 115 37.602 51.973 11.786 +ATOM 1791 CA THR 115 36.520 50.120 11.590 +ATOM 1792 HA THR 115 36.214 49.522 12.449 +ATOM 1793 CB THR 115 35.340 51.020 11.170 +ATOM 1794 HB THR 115 35.716 51.581 10.315 +ATOM 1795 CG2 THR 115 33.980 50.360 10.800 +ATOM 1796 1HG2 THR 115 33.603 49.799 11.655 +ATOM 1797 2HG2 THR 115 33.262 51.134 10.529 +ATOM 1798 3HG2 THR 115 34.121 49.685 9.956 +ATOM 1799 OG1 THR 115 35.150 51.950 12.240 +ATOM 1800 1HG THR 115 34.421 52.538 12.027 +ATOM 1801 C THR 115 36.730 48.970 10.600 +ATOM 1802 O THR 115 36.670 47.740 10.920 +ATOM 1803 N ASN 116 37.220 49.280 9.360 +ATOM 1804 H ASN 116 37.338 50.274 9.224 +ATOM 1805 CA ASN 116 37.610 48.370 8.260 +ATOM 1806 HA ASN 116 36.747 47.814 7.893 +ATOM 1807 CB ASN 116 38.180 49.220 7.100 +ATOM 1808 2HB ASN 116 37.661 50.161 6.915 +ATOM 1809 3HB ASN 116 39.210 49.425 7.391 +ATOM 1810 CG ASN 116 38.190 48.420 5.830 +ATOM 1811 OD1 ASN 116 37.220 47.900 5.400 +ATOM 1812 ND2 ASN 116 39.330 48.460 5.170 +ATOM 1813 1HD2 ASN 116 39.426 47.950 4.303 +ATOM 1814 2HD2 ASN 116 40.102 49.000 5.534 +ATOM 1815 C ASN 116 38.760 47.360 8.760 +ATOM 1816 O ASN 116 38.540 46.160 8.590 +ATOM 1817 N SER 117 39.820 47.910 9.300 +ATOM 1818 H SER 117 39.977 48.908 9.298 +ATOM 1819 CA SER 117 40.910 47.020 9.820 +ATOM 1820 HA SER 117 41.263 46.454 8.958 +ATOM 1821 CB SER 117 42.150 47.680 10.530 +ATOM 1822 2HB SER 117 41.765 48.267 11.364 +ATOM 1823 3HB SER 117 42.769 46.868 10.912 +ATOM 1824 OG SER 117 42.900 48.480 9.720 +ATOM 1825 HG SER 117 43.634 48.844 10.221 +ATOM 1826 C SER 117 40.470 45.940 10.740 +ATOM 1827 O SER 117 40.840 44.760 10.590 +ATOM 1828 N LEU 118 39.650 46.320 11.750 +ATOM 1829 H LEU 118 39.632 47.308 11.960 +ATOM 1830 CA LEU 118 38.990 45.430 12.640 +ATOM 1831 HA LEU 118 39.727 44.873 13.219 +ATOM 1832 CB LEU 118 38.100 46.200 13.600 +ATOM 1833 2HB LEU 118 37.464 46.878 13.031 +ATOM 1834 3HB LEU 118 37.487 45.421 14.052 +ATOM 1835 CG LEU 118 38.850 47.010 14.740 +ATOM 1836 HG LEU 118 39.433 47.827 14.315 +ATOM 1837 CD1 LEU 118 37.770 47.580 15.660 +ATOM 1838 1HD1 LEU 118 37.186 46.764 16.086 +ATOM 1839 2HD1 LEU 118 38.239 48.148 16.463 +ATOM 1840 3HD1 LEU 118 37.113 48.235 15.088 +ATOM 1841 CD2 LEU 118 39.730 46.000 15.590 +ATOM 1842 1HD2 LEU 118 40.459 45.517 14.940 +ATOM 1843 2HD2 LEU 118 40.251 46.545 16.377 +ATOM 1844 3HD2 LEU 118 39.085 45.244 16.038 +ATOM 1845 C LEU 118 38.280 44.240 11.970 +ATOM 1846 O LEU 118 38.400 43.080 12.350 +ATOM 1847 N ARG 119 37.380 44.680 11.020 +ATOM 1848 H ARG 119 37.203 45.663 10.871 +ATOM 1849 CA ARG 119 36.600 43.740 10.300 +ATOM 1850 HA ARG 119 36.098 43.061 10.990 +ATOM 1851 CB ARG 119 35.570 44.450 9.500 +ATOM 1852 2HB ARG 119 35.069 45.176 10.140 +ATOM 1853 3HB ARG 119 36.062 44.969 8.678 +ATOM 1854 CG ARG 119 34.560 43.490 8.950 +ATOM 1855 2HG ARG 119 35.109 42.601 8.638 +ATOM 1856 3HG ARG 119 33.891 43.234 9.771 +ATOM 1857 CD ARG 119 33.760 44.010 7.800 +ATOM 1858 2HD ARG 119 32.853 43.415 7.695 +ATOM 1859 3HD ARG 119 33.492 45.049 7.990 +ATOM 1860 NE ARG 119 34.530 43.940 6.520 +ATOM 1861 HE ARG 119 34.403 43.061 6.040 +ATOM 1862 CZ ARG 119 35.310 44.850 5.970 +ATOM 1863 NH1 ARG 119 35.150 46.150 6.120 +ATOM 1864 1HH1 ARG 119 34.391 46.500 6.686 +ATOM 1865 2HH1 ARG 119 35.788 46.790 5.668 +ATOM 1866 NH2 ARG 119 36.290 44.390 5.250 +ATOM 1867 1HH2 ARG 119 36.410 43.393 5.145 +ATOM 1868 2HH2 ARG 119 36.926 45.032 4.800 +ATOM 1869 C ARG 119 37.470 42.810 9.420 +ATOM 1870 O ARG 119 37.340 41.590 9.500 +ATOM 1871 N MET 120 38.490 43.330 8.710 +ATOM 1872 H MET 120 38.413 44.335 8.645 +ATOM 1873 CA MET 120 39.530 42.650 7.900 +ATOM 1874 HA MET 120 39.016 42.040 7.157 +ATOM 1875 CB MET 120 40.520 43.590 7.170 +ATOM 1876 2HB MET 120 40.879 44.319 7.896 +ATOM 1877 3HB MET 120 41.356 42.983 6.821 +ATOM 1878 CG MET 120 39.900 44.310 6.000 +ATOM 1879 2HG MET 120 39.488 43.552 5.334 +ATOM 1880 3HG MET 120 39.091 44.928 6.391 +ATOM 1881 SD MET 120 41.080 45.380 5.050 +ATOM 1882 CE MET 120 40.300 45.590 3.480 +ATOM 1883 1HE MET 120 39.331 46.070 3.617 +ATOM 1884 2HE MET 120 40.927 46.214 2.843 +ATOM 1885 3HE MET 120 40.160 44.616 3.010 +ATOM 1886 C MET 120 40.210 41.550 8.780 +ATOM 1887 O MET 120 40.320 40.370 8.360 +ATOM 1888 N LEU 121 40.750 41.990 9.930 +ATOM 1889 H LEU 121 40.901 42.981 10.051 +ATOM 1890 CA LEU 121 41.250 41.050 11.010 +ATOM 1891 HA LEU 121 42.098 40.453 10.674 +ATOM 1892 CB LEU 121 41.700 41.930 12.140 +ATOM 1893 2HB LEU 121 40.855 42.557 12.425 +ATOM 1894 3HB LEU 121 41.882 41.191 12.920 +ATOM 1895 CG LEU 121 42.970 42.820 11.960 +ATOM 1896 HG LEU 121 42.839 43.510 11.126 +ATOM 1897 CD1 LEU 121 43.160 43.630 13.280 +ATOM 1898 1HD1 LEU 121 43.291 42.941 14.114 +ATOM 1899 2HD1 LEU 121 44.041 44.266 13.193 +ATOM 1900 3HD1 LEU 121 42.281 44.250 13.456 +ATOM 1901 CD2 LEU 121 44.120 41.870 11.820 +ATOM 1902 1HD2 LEU 121 43.960 41.231 10.952 +ATOM 1903 2HD2 LEU 121 45.044 42.434 11.690 +ATOM 1904 3HD2 LEU 121 44.194 41.254 12.716 +ATOM 1905 C LEU 121 40.220 39.980 11.440 +ATOM 1906 O LEU 121 40.660 38.840 11.450 +ATOM 1907 N GLN 122 38.940 40.320 11.680 +ATOM 1908 H GLN 122 38.668 41.290 11.614 +ATOM 1909 CA GLN 122 37.880 39.300 12.050 +ATOM 1910 HA GLN 122 38.176 38.715 12.921 +ATOM 1911 CB GLN 122 36.620 40.070 12.390 +ATOM 1912 2HB GLN 122 36.895 40.823 13.128 +ATOM 1913 3HB GLN 122 36.290 40.562 11.475 +ATOM 1914 CG GLN 122 35.490 39.210 12.940 +ATOM 1915 2HG GLN 122 35.000 38.664 12.133 +ATOM 1916 3HG GLN 122 35.886 38.502 13.669 +ATOM 1917 CD GLN 122 34.470 40.080 13.620 +ATOM 1918 OE1 GLN 122 34.430 40.070 14.860 +ATOM 1919 NE2 GLN 122 33.630 40.850 12.970 +ATOM 1920 1HE2 GLN 122 32.966 41.413 13.482 +ATOM 1921 2HE2 GLN 122 33.651 40.876 11.961 +ATOM 1922 C GLN 122 37.570 38.310 10.910 +ATOM 1923 O GLN 122 37.450 37.120 11.110 +ATOM 1924 N GLN 123 37.450 38.820 9.680 +ATOM 1925 H GLN 123 37.379 39.827 9.641 +ATOM 1926 CA GLN 123 37.380 38.080 8.440 +ATOM 1927 HA GLN 123 36.630 37.293 8.516 +ATOM 1928 CB GLN 123 36.990 39.020 7.290 +ATOM 1929 2HB GLN 123 37.653 39.885 7.309 +ATOM 1930 3HB GLN 123 37.116 38.487 6.348 +ATOM 1931 CG GLN 123 35.560 39.480 7.420 +ATOM 1932 2HG GLN 123 34.992 38.550 7.393 +ATOM 1933 3HG GLN 123 35.377 39.989 8.366 +ATOM 1934 CD GLN 123 35.080 40.380 6.280 +ATOM 1935 OE1 GLN 123 35.710 41.380 5.960 +ATOM 1936 NE2 GLN 123 33.930 40.110 5.740 +ATOM 1937 1HE2 GLN 123 33.583 40.684 4.985 +ATOM 1938 2HE2 GLN 123 33.388 39.327 6.078 +ATOM 1939 C GLN 123 38.760 37.360 8.080 +ATOM 1940 O GLN 123 38.950 36.800 6.990 +ATOM 1941 N LYS 124 39.840 37.390 9.010 +ATOM 1942 H LYS 124 39.722 38.056 9.760 +ATOM 1943 CA LYS 124 41.190 36.750 8.830 +ATOM 1944 HA LYS 124 41.924 37.158 9.525 +ATOM 1945 CB LYS 124 41.010 35.230 9.130 +ATOM 1946 2HB LYS 124 40.510 34.796 8.264 +ATOM 1947 3HB LYS 124 42.011 34.807 9.221 +ATOM 1948 CG LYS 124 40.170 34.900 10.450 +ATOM 1949 2HG LYS 124 40.432 35.662 11.184 +ATOM 1950 3HG LYS 124 39.118 35.000 10.183 +ATOM 1951 CD LYS 124 40.420 33.480 11.060 +ATOM 1952 2HD LYS 124 40.601 32.757 10.265 +ATOM 1953 3HD LYS 124 41.280 33.506 11.730 +ATOM 1954 CE LYS 124 39.200 33.080 11.830 +ATOM 1955 2HE LYS 124 38.288 33.326 11.286 +ATOM 1956 3HE LYS 124 39.208 32.015 12.063 +ATOM 1957 NZ LYS 124 39.250 33.850 13.070 +ATOM 1958 1HZ LYS 124 39.242 34.837 12.854 +ATOM 1959 2HZ LYS 124 38.447 33.624 13.639 +ATOM 1960 3HZ LYS 124 40.095 33.622 13.574 +ATOM 1961 C LYS 124 41.910 37.180 7.520 +ATOM 1962 O LYS 124 42.710 36.350 7.030 +ATOM 1963 N ARG 125 41.760 38.380 7.010 +ATOM 1964 H ARG 125 41.008 38.873 7.470 +ATOM 1965 CA ARG 125 42.340 38.970 5.810 +ATOM 1966 HA ARG 125 42.762 38.182 5.186 +ATOM 1967 CB ARG 125 41.250 39.750 4.970 +ATOM 1968 2HB ARG 125 40.443 40.049 5.639 +ATOM 1969 3HB ARG 125 41.713 40.638 4.540 +ATOM 1970 CG ARG 125 40.680 38.870 3.840 +ATOM 1971 2HG ARG 125 40.104 39.537 3.198 +ATOM 1972 3HG ARG 125 41.540 38.490 3.289 +ATOM 1973 CD ARG 125 39.800 37.700 4.280 +ATOM 1974 2HD ARG 125 40.374 37.155 5.029 +ATOM 1975 3HD ARG 125 38.921 38.142 4.749 +ATOM 1976 NE ARG 125 39.350 36.740 3.230 +ATOM 1977 HE ARG 125 39.523 37.001 2.270 +ATOM 1978 CZ ARG 125 38.690 35.620 3.470 +ATOM 1979 NH1 ARG 125 38.590 35.180 4.690 +ATOM 1980 1HH1 ARG 125 39.017 35.696 5.446 +ATOM 1981 2HH1 ARG 125 38.086 34.324 4.875 +ATOM 1982 NH2 ARG 125 38.180 34.880 2.540 +ATOM 1983 1HH2 ARG 125 38.278 35.151 1.572 +ATOM 1984 2HH2 ARG 125 37.686 34.034 2.786 +ATOM 1985 C ARG 125 43.650 39.750 6.130 +ATOM 1986 O ARG 125 43.630 41.050 6.070 +ATOM 1987 N TRP 126 44.710 39.040 6.540 +ATOM 1988 H TRP 126 44.691 38.032 6.474 +ATOM 1989 CA TRP 126 45.950 39.690 7.040 +ATOM 1990 HA TRP 126 45.823 40.237 7.974 +ATOM 1991 CB TRP 126 46.820 38.490 7.300 +ATOM 1992 2HB TRP 126 46.916 38.115 6.281 +ATOM 1993 3HB TRP 126 47.810 38.708 7.701 +ATOM 1994 CG TRP 126 46.270 37.380 8.110 +ATOM 1995 CD1 TRP 126 46.290 36.070 7.770 +ATOM 1996 HD1 TRP 126 46.876 35.852 6.877 +ATOM 1997 NE1 TRP 126 45.560 35.280 8.630 +ATOM 1998 HE1 TRP 126 45.337 34.314 8.439 +ATOM 1999 CE2 TRP 126 45.030 36.040 9.660 +ATOM 2000 CZ2 TRP 126 44.150 35.770 10.740 +ATOM 2001 HZ2 TRP 126 43.806 34.740 10.838 +ATOM 2002 CH2 TRP 126 43.760 36.850 11.640 +ATOM 2003 HH2 TRP 126 43.183 36.684 12.550 +ATOM 2004 CZ3 TRP 126 44.150 38.160 11.310 +ATOM 2005 HZ3 TRP 126 43.788 38.990 11.917 +ATOM 2006 CE3 TRP 126 44.980 38.450 10.240 +ATOM 2007 HE3 TRP 126 45.340 39.477 10.182 +ATOM 2008 CD2 TRP 126 45.420 37.390 9.310 +ATOM 2009 C TRP 126 46.670 40.590 6.110 +ATOM 2010 O TRP 126 47.210 41.620 6.470 +ATOM 2011 N ASP 127 46.710 40.220 4.800 +ATOM 2012 H ASP 127 46.295 39.331 4.559 +ATOM 2013 CA ASP 127 47.370 40.990 3.740 +ATOM 2014 HA ASP 127 48.409 41.188 4.003 +ATOM 2015 CB ASP 127 47.340 40.200 2.470 +ATOM 2016 2HB ASP 127 47.788 39.213 2.585 +ATOM 2017 3HB ASP 127 46.270 40.094 2.290 +ATOM 2018 CG ASP 127 47.980 40.910 1.300 +ATOM 2019 OD1 ASP 127 49.170 41.030 1.320 +ATOM 2020 OD2 ASP 127 47.220 41.210 0.330 +ATOM 2021 C ASP 127 46.840 42.380 3.430 +ATOM 2022 O ASP 127 47.560 43.400 3.420 +ATOM 2023 N GLU 128 45.500 42.450 3.310 +ATOM 2024 H GLU 128 45.071 41.544 3.182 +ATOM 2025 CA GLU 128 44.630 43.670 3.210 +ATOM 2026 HA GLU 128 45.107 44.374 2.528 +ATOM 2027 CB GLU 128 43.190 43.370 2.690 +ATOM 2028 2HB GLU 128 42.602 43.051 3.550 +ATOM 2029 3HB GLU 128 42.790 44.308 2.304 +ATOM 2030 CG GLU 128 43.120 42.290 1.590 +ATOM 2031 2HG GLU 128 43.975 42.445 0.932 +ATOM 2032 3HG GLU 128 43.195 41.308 2.057 +ATOM 2033 CD GLU 128 41.820 42.370 0.770 +ATOM 2034 OE1 GLU 128 41.610 43.290 -0.030 +ATOM 2035 OE2 GLU 128 40.950 41.510 0.920 +ATOM 2036 C GLU 128 44.670 44.400 4.640 +ATOM 2037 O GLU 128 44.930 45.600 4.650 +ATOM 2038 N ALA 129 44.380 43.800 5.760 +ATOM 2039 H ALA 129 44.097 42.831 5.720 +ATOM 2040 CA ALA 129 44.350 44.470 7.040 +ATOM 2041 HA ALA 129 43.502 45.154 7.036 +ATOM 2042 CB ALA 129 44.150 43.430 8.200 +ATOM 2043 1HB ALA 129 44.996 42.743 8.223 +ATOM 2044 2HB ALA 129 44.083 43.956 9.153 +ATOM 2045 3HB ALA 129 43.231 42.868 8.031 +ATOM 2046 C ALA 129 45.680 45.370 7.270 +ATOM 2047 O ALA 129 45.550 46.570 7.720 +ATOM 2048 N ALA 130 46.860 44.730 6.970 +ATOM 2049 H ALA 130 46.788 43.728 6.868 +ATOM 2050 CA ALA 130 48.150 45.320 6.920 +ATOM 2051 HA ALA 130 48.453 45.622 7.923 +ATOM 2052 CB ALA 130 49.050 44.210 6.460 +ATOM 2053 1HB ALA 130 48.764 43.903 5.454 +ATOM 2054 2HB ALA 130 50.083 44.558 6.454 +ATOM 2055 3HB ALA 130 48.957 43.362 7.138 +ATOM 2056 C ALA 130 48.210 46.560 6.110 +ATOM 2057 O ALA 130 48.900 47.580 6.440 +ATOM 2058 N VAL 131 47.530 46.620 4.930 +ATOM 2059 H VAL 131 47.029 45.826 4.558 +ATOM 2060 CA VAL 131 47.670 47.820 4.080 +ATOM 2061 HA VAL 131 48.729 48.073 4.123 +ATOM 2062 CB VAL 131 47.310 47.440 2.620 +ATOM 2063 HB VAL 131 46.360 46.905 2.620 +ATOM 2064 CG1 VAL 131 47.190 48.700 1.740 +ATOM 2065 1HG1 VAL 131 48.140 49.235 1.739 +ATOM 2066 2HG1 VAL 131 46.937 48.409 0.720 +ATOM 2067 3HG1 VAL 131 46.409 49.348 2.137 +ATOM 2068 CG2 VAL 131 48.400 46.670 1.860 +ATOM 2069 1HG2 VAL 131 48.616 45.737 2.380 +ATOM 2070 2HG2 VAL 131 48.054 46.451 0.850 +ATOM 2071 3HG2 VAL 131 49.305 47.275 1.810 +ATOM 2072 C VAL 131 46.860 48.980 4.710 +ATOM 2073 O VAL 131 47.170 50.180 4.550 +ATOM 2074 N ASN 132 45.760 48.640 5.420 +ATOM 2075 H ASN 132 45.519 47.672 5.581 +ATOM 2076 CA ASN 132 44.810 49.700 5.900 +ATOM 2077 HA ASN 132 44.774 50.562 5.233 +ATOM 2078 CB ASN 132 43.450 49.030 5.900 +ATOM 2079 2HB ASN 132 43.245 48.588 4.925 +ATOM 2080 3HB ASN 132 43.524 48.241 6.648 +ATOM 2081 CG ASN 132 42.300 49.940 6.270 +ATOM 2082 OD1 ASN 132 42.100 50.260 7.440 +ATOM 2083 ND2 ASN 132 41.540 50.450 5.280 +ATOM 2084 1HD2 ASN 132 40.767 51.060 5.504 +ATOM 2085 2HD2 ASN 132 41.747 50.220 4.319 +ATOM 2086 C ASN 132 45.280 50.260 7.290 +ATOM 2087 O ASN 132 45.260 51.420 7.570 +ATOM 2088 N LEU 133 45.960 49.380 8.040 +ATOM 2089 H LEU 133 45.769 48.402 7.873 +ATOM 2090 CA LEU 133 46.840 49.740 9.180 +ATOM 2091 HA LEU 133 46.259 50.349 9.872 +ATOM 2092 CB LEU 133 47.420 48.510 9.960 +ATOM 2093 2HB LEU 133 47.841 47.854 9.198 +ATOM 2094 3HB LEU 133 48.213 48.843 10.630 +ATOM 2095 CG LEU 133 46.350 47.740 10.770 +ATOM 2096 HG LEU 133 45.460 47.571 10.164 +ATOM 2097 CD1 LEU 133 46.980 46.350 11.180 +ATOM 2098 1HD1 LEU 133 47.870 46.519 11.786 +ATOM 2099 2HD1 LEU 133 46.253 45.776 11.755 +ATOM 2100 3HD1 LEU 133 47.252 45.795 10.282 +ATOM 2101 CD2 LEU 133 45.840 48.480 12.020 +ATOM 2102 1HD2 LEU 133 45.391 49.428 11.724 +ATOM 2103 2HD2 LEU 133 45.094 47.868 12.526 +ATOM 2104 3HD2 LEU 133 46.674 48.669 12.696 +ATOM 2105 C LEU 133 47.990 50.740 8.710 +ATOM 2106 O LEU 133 48.240 51.760 9.420 +ATOM 2107 N ALA 134 48.650 50.500 7.580 +ATOM 2108 H ALA 134 48.519 49.647 7.056 +ATOM 2109 CA ALA 134 49.720 51.420 7.160 +ATOM 2110 HA ALA 134 50.309 51.662 8.045 +ATOM 2111 CB ALA 134 50.610 50.690 6.170 +ATOM 2112 1HB ALA 134 50.037 50.449 5.274 +ATOM 2113 2HB ALA 134 51.453 51.326 5.901 +ATOM 2114 3HB ALA 134 50.979 49.770 6.623 +ATOM 2115 C ALA 134 49.150 52.820 6.630 +ATOM 2116 O ALA 134 49.950 53.680 6.320 +ATOM 2117 N LYS 135 47.810 52.930 6.310 +ATOM 2118 H LYS 135 47.326 52.062 6.489 +ATOM 2119 CA LYS 135 47.040 54.060 5.690 +ATOM 2120 HA LYS 135 47.724 54.779 5.239 +ATOM 2121 CB LYS 135 46.090 53.500 4.570 +ATOM 2122 2HB LYS 135 45.667 52.581 4.977 +ATOM 2123 3HB LYS 135 45.301 54.243 4.457 +ATOM 2124 CG LYS 135 46.720 53.210 3.200 +ATOM 2125 2HG LYS 135 47.064 54.155 2.780 +ATOM 2126 3HG LYS 135 47.573 52.549 3.354 +ATOM 2127 CD LYS 135 45.730 52.550 2.230 +ATOM 2128 2HD LYS 135 45.505 51.545 2.588 +ATOM 2129 3HD LYS 135 44.814 53.141 2.208 +ATOM 2130 CE LYS 135 46.310 52.470 0.840 +ATOM 2131 2HE LYS 135 47.395 52.509 0.935 +ATOM 2132 3HE LYS 135 46.017 51.509 0.418 +ATOM 2133 NZ LYS 135 45.850 53.570 -0.060 +ATOM 2134 1HZ LYS 135 46.122 54.461 0.331 +ATOM 2135 2HZ LYS 135 46.273 53.459 -0.971 +ATOM 2136 3HZ LYS 135 44.845 53.534 -0.149 +ATOM 2137 C LYS 135 46.280 54.840 6.780 +ATOM 2138 O LYS 135 45.080 55.160 6.740 +ATOM 2139 N SER 136 47.060 55.340 7.750 +ATOM 2140 H SER 136 48.062 55.392 7.632 +ATOM 2141 CA SER 136 46.490 55.790 9.010 +ATOM 2142 HA SER 136 45.499 56.205 8.824 +ATOM 2143 CB SER 136 46.360 54.650 10.020 +ATOM 2144 2HB SER 136 45.766 55.010 10.860 +ATOM 2145 3HB SER 136 45.838 53.826 9.534 +ATOM 2146 OG SER 136 47.620 54.200 10.490 +ATOM 2147 HG SER 136 47.491 53.487 11.119 +ATOM 2148 C SER 136 47.360 56.930 9.660 +ATOM 2149 O SER 136 48.590 56.970 9.560 +ATOM 2150 N ARG 137 46.710 57.790 10.420 +ATOM 2151 H ARG 137 45.703 57.719 10.430 +ATOM 2152 CA ARG 137 47.340 58.900 11.160 +ATOM 2153 HA ARG 137 47.966 59.474 10.477 +ATOM 2154 CB ARG 137 46.310 59.830 11.770 +ATOM 2155 2HB ARG 137 45.785 60.342 10.964 +ATOM 2156 3HB ARG 137 45.601 59.233 12.344 +ATOM 2157 CG ARG 137 46.990 60.900 12.720 +ATOM 2158 2HG ARG 137 47.650 60.380 13.414 +ATOM 2159 3HG ARG 137 47.575 61.587 12.108 +ATOM 2160 CD ARG 137 45.950 61.680 13.500 +ATOM 2161 2HD ARG 137 45.392 62.343 12.839 +ATOM 2162 3HD ARG 137 45.259 61.003 14.002 +ATOM 2163 NE ARG 137 46.630 62.490 14.510 +ATOM 2164 HE ARG 137 46.647 63.429 14.139 +ATOM 2165 CZ ARG 137 47.290 62.240 15.660 +ATOM 2166 NH1 ARG 137 47.180 61.080 16.210 +ATOM 2167 1HH1 ARG 137 46.604 60.372 15.778 +ATOM 2168 2HH1 ARG 137 47.671 60.884 17.071 +ATOM 2169 NH2 ARG 137 47.900 63.170 16.300 +ATOM 2170 1HH2 ARG 137 47.891 64.114 15.942 +ATOM 2171 2HH2 ARG 137 48.386 62.953 17.158 +ATOM 2172 C ARG 137 48.290 58.250 12.190 +ATOM 2173 O ARG 137 49.430 58.650 12.230 +ATOM 2174 N TRP 138 47.980 57.210 12.870 +ATOM 2175 H TRP 138 46.985 57.084 12.989 +ATOM 2176 CA TRP 138 48.890 56.330 13.620 +ATOM 2177 HA TRP 138 49.293 56.897 14.459 +ATOM 2178 CB TRP 138 48.200 55.020 14.180 +ATOM 2179 2HB TRP 138 47.539 55.496 14.904 +ATOM 2180 3HB TRP 138 47.605 54.467 13.454 +ATOM 2181 CG TRP 138 49.010 54.000 14.940 +ATOM 2182 CD1 TRP 138 49.760 54.290 16.050 +ATOM 2183 HD1 TRP 138 49.683 55.311 16.424 +ATOM 2184 NE1 TRP 138 50.480 53.180 16.470 +ATOM 2185 HE1 TRP 138 51.255 53.147 17.117 +ATOM 2186 CE2 TRP 138 50.050 52.120 15.660 +ATOM 2187 CZ2 TRP 138 50.340 50.750 15.700 +ATOM 2188 HZ2 TRP 138 50.924 50.511 16.589 +ATOM 2189 CH2 TRP 138 49.940 49.790 14.730 +ATOM 2190 HH2 TRP 138 50.100 48.713 14.770 +ATOM 2191 CZ3 TRP 138 49.270 50.340 13.620 +ATOM 2192 HZ3 TRP 138 48.998 49.720 12.766 +ATOM 2193 CE3 TRP 138 48.930 51.710 13.580 +ATOM 2194 HE3 TRP 138 48.110 51.903 12.889 +ATOM 2195 CD2 TRP 138 49.350 52.650 14.570 +ATOM 2196 C TRP 138 50.200 55.960 12.960 +ATOM 2197 O TRP 138 51.240 56.110 13.620 +ATOM 2198 N TYR 139 50.190 55.640 11.660 +ATOM 2199 H TYR 139 49.358 55.308 11.193 +ATOM 2200 CA TYR 139 51.460 55.560 10.950 +ATOM 2201 HA TYR 139 52.171 54.930 11.485 +ATOM 2202 CB TYR 139 51.190 54.940 9.590 +ATOM 2203 2HB TYR 139 50.718 53.978 9.791 +ATOM 2204 3HB TYR 139 50.509 55.564 9.012 +ATOM 2205 CG TYR 139 52.470 54.720 8.800 +ATOM 2206 CD1 TYR 139 53.020 53.400 8.840 +ATOM 2207 HD1 TYR 139 52.400 52.637 9.312 +ATOM 2208 CE1 TYR 139 54.270 53.060 8.320 +ATOM 2209 HE1 TYR 139 54.684 52.072 8.522 +ATOM 2210 CZ TYR 139 55.090 54.070 7.820 +ATOM 2211 OH TYR 139 56.260 53.650 7.270 +ATOM 2212 HH TYR 139 56.368 52.697 7.300 +ATOM 2213 CE2 TYR 139 54.550 55.360 7.630 +ATOM 2214 HE2 TYR 139 55.155 56.123 7.140 +ATOM 2215 CD2 TYR 139 53.230 55.670 8.070 +ATOM 2216 HD2 TYR 139 52.796 56.644 7.846 +ATOM 2217 C TYR 139 52.340 56.820 10.870 +ATOM 2218 O TYR 139 53.420 56.870 11.490 +ATOM 2219 N ASN 140 51.850 57.840 10.130 +ATOM 2220 H ASN 140 51.009 57.655 9.603 +ATOM 2221 CA ASN 140 52.520 59.180 9.960 +ATOM 2222 HA ASN 140 53.414 59.092 9.343 +ATOM 2223 CB ASN 140 51.530 60.130 9.260 +ATOM 2224 2HB ASN 140 50.537 60.167 9.707 +ATOM 2225 3HB ASN 140 52.019 61.096 9.384 +ATOM 2226 CG ASN 140 51.380 59.840 7.740 +ATOM 2227 OD1 ASN 140 50.500 59.080 7.350 +ATOM 2228 ND2 ASN 140 52.110 60.560 6.930 +ATOM 2229 1HD2 ASN 140 52.049 60.411 5.933 +ATOM 2230 2HD2 ASN 140 52.731 61.263 7.305 +ATOM 2231 C ASN 140 53.030 59.730 11.300 +ATOM 2232 O ASN 140 54.210 60.180 11.360 +ATOM 2233 N GLN 141 52.240 59.650 12.420 +ATOM 2234 H GLN 141 51.278 59.367 12.295 +ATOM 2235 CA GLN 141 52.670 60.070 13.750 +ATOM 2236 HA GLN 141 53.098 61.072 13.770 +ATOM 2237 CB GLN 141 51.390 60.080 14.530 +ATOM 2238 2HB GLN 141 50.949 59.091 14.402 +ATOM 2239 3HB GLN 141 51.672 60.219 15.574 +ATOM 2240 CG GLN 141 50.340 61.180 14.120 +ATOM 2241 2HG GLN 141 49.843 60.841 13.211 +ATOM 2242 3HG GLN 141 49.625 61.191 14.943 +ATOM 2243 CD GLN 141 50.840 62.580 13.900 +ATOM 2244 OE1 GLN 141 50.630 63.130 12.860 +ATOM 2245 NE2 GLN 141 51.470 63.240 14.840 +ATOM 2246 1HE2 GLN 141 51.794 64.180 14.662 +ATOM 2247 2HE2 GLN 141 51.628 62.806 15.738 +ATOM 2248 C GLN 141 53.800 59.220 14.340 +ATOM 2249 O GLN 141 54.750 59.800 14.910 +ATOM 2250 N THR 142 53.680 57.920 14.220 +ATOM 2251 H THR 142 52.785 57.680 13.819 +ATOM 2252 CA THR 142 54.530 56.810 14.790 +ATOM 2253 HA THR 142 55.504 57.249 15.006 +ATOM 2254 CB THR 142 54.000 56.170 16.050 +ATOM 2255 HB THR 142 54.504 55.215 16.197 +ATOM 2256 CG2 THR 142 54.240 57.050 17.240 +ATOM 2257 1HG2 THR 142 53.735 58.005 17.094 +ATOM 2258 2HG2 THR 142 53.849 56.566 18.135 +ATOM 2259 3HG2 THR 142 55.310 57.219 17.357 +ATOM 2260 OG1 THR 142 52.590 55.950 15.990 +ATOM 2261 1HG THR 142 52.295 55.543 16.808 +ATOM 2262 C THR 142 55.020 55.740 13.800 +ATOM 2263 O THR 142 54.670 54.640 14.030 +ATOM 2264 N PRO 143 55.890 56.020 12.800 +ATOM 2265 CD PRO 143 56.240 57.420 12.300 +ATOM 2266 2HD PRO 143 56.999 57.839 12.961 +ATOM 2267 3HD PRO 143 55.340 58.034 12.345 +ATOM 2268 CG PRO 143 56.750 57.230 10.860 +ATOM 2269 2HG PRO 143 57.608 57.878 10.679 +ATOM 2270 3HG PRO 143 55.959 57.469 10.149 +ATOM 2271 CB PRO 143 57.140 55.740 10.770 +ATOM 2272 2HB PRO 143 58.186 55.540 11.002 +ATOM 2273 3HB PRO 143 56.921 55.399 9.758 +ATOM 2274 CA PRO 143 56.230 55.010 11.780 +ATOM 2275 HA PRO 143 55.301 54.775 11.261 +ATOM 2276 C PRO 143 56.840 53.760 12.290 +ATOM 2277 O PRO 143 56.570 52.680 11.870 +ATOM 2278 N ASN 144 57.910 53.980 13.050 +ATOM 2279 H ASN 144 58.201 54.940 13.169 +ATOM 2280 CA ASN 144 58.770 52.940 13.550 +ATOM 2281 HA ASN 144 59.143 52.358 12.708 +ATOM 2282 CB ASN 144 59.980 53.500 14.340 +ATOM 2283 2HB ASN 144 59.712 53.732 15.371 +ATOM 2284 3HB ASN 144 60.725 52.704 14.329 +ATOM 2285 CG ASN 144 60.590 54.750 13.700 +ATOM 2286 OD1 ASN 144 60.830 55.800 14.240 +ATOM 2287 ND2 ASN 144 60.980 54.720 12.450 +ATOM 2288 1HD2 ASN 144 61.382 55.546 12.030 +ATOM 2289 2HD2 ASN 144 60.877 53.871 11.912 +ATOM 2290 C ASN 144 57.930 51.910 14.300 +ATOM 2291 O ASN 144 58.040 50.750 14.000 +ATOM 2292 N ARG 145 57.050 52.310 15.230 +ATOM 2293 H ARG 145 57.111 53.292 15.457 +ATOM 2294 CA ARG 145 56.110 51.470 16.000 +ATOM 2295 HA ARG 145 56.669 50.652 16.455 +ATOM 2296 CB ARG 145 55.370 52.260 17.130 +ATOM 2297 2HB ARG 145 56.147 52.739 17.726 +ATOM 2298 3HB ARG 145 54.775 53.023 16.629 +ATOM 2299 CG ARG 145 54.470 51.430 18.040 +ATOM 2300 2HG ARG 145 53.420 51.551 17.772 +ATOM 2301 3HG ARG 145 54.736 50.374 17.999 +ATOM 2302 CD ARG 145 54.690 51.940 19.410 +ATOM 2303 2HD ARG 145 55.748 51.827 19.647 +ATOM 2304 3HD ARG 145 54.427 52.998 19.423 +ATOM 2305 NE ARG 145 53.860 51.210 20.490 +ATOM 2306 HE ARG 145 53.402 50.352 20.218 +ATOM 2307 CZ ARG 145 53.620 51.700 21.700 +ATOM 2308 NH1 ARG 145 54.240 52.820 22.080 +ATOM 2309 1HH1 ARG 145 54.880 53.279 21.448 +ATOM 2310 2HH1 ARG 145 54.066 53.203 22.998 +ATOM 2311 NH2 ARG 145 52.880 50.990 22.510 +ATOM 2312 1HH2 ARG 145 52.513 50.100 22.204 +ATOM 2313 2HH2 ARG 145 52.679 51.335 23.438 +ATOM 2314 C ARG 145 55.120 50.780 15.140 +ATOM 2315 O ARG 145 54.950 49.620 15.220 +ATOM 2316 N ALA 146 54.390 51.470 14.270 +ATOM 2317 H ALA 146 54.474 52.475 14.329 +ATOM 2318 CA ALA 146 53.400 50.910 13.350 +ATOM 2319 HA ALA 146 52.650 50.364 13.922 +ATOM 2320 CB ALA 146 52.700 52.060 12.590 +ATOM 2321 1HB ALA 146 53.436 52.611 12.005 +ATOM 2322 2HB ALA 146 51.942 51.648 11.924 +ATOM 2323 3HB ALA 146 52.227 52.734 13.305 +ATOM 2324 C ALA 146 54.050 49.890 12.480 +ATOM 2325 O ALA 146 53.510 48.820 12.430 +ATOM 2326 N LYS 147 55.180 50.090 11.810 +ATOM 2327 H LYS 147 55.508 51.045 11.781 +ATOM 2328 CA LYS 147 55.960 49.040 11.050 +ATOM 2329 HA LYS 147 55.401 48.731 10.166 +ATOM 2330 CB LYS 147 57.290 49.590 10.610 +ATOM 2331 2HB LYS 147 57.589 50.466 11.185 +ATOM 2332 3HB LYS 147 58.083 48.843 10.648 +ATOM 2333 CG LYS 147 57.050 49.980 9.210 +ATOM 2334 2HG LYS 147 56.751 49.090 8.657 +ATOM 2335 3HG LYS 147 56.238 50.706 9.195 +ATOM 2336 CD LYS 147 58.310 50.600 8.550 +ATOM 2337 2HD LYS 147 59.145 49.913 8.687 +ATOM 2338 3HD LYS 147 58.115 50.726 7.485 +ATOM 2339 CE LYS 147 58.660 51.960 9.170 +ATOM 2340 2HE LYS 147 57.778 52.600 9.149 +ATOM 2341 3HE LYS 147 58.976 51.812 10.203 +ATOM 2342 NZ LYS 147 59.750 52.600 8.410 +ATOM 2343 1HZ LYS 147 59.457 52.738 7.453 +ATOM 2344 2HZ LYS 147 59.972 53.493 8.827 +ATOM 2345 3HZ LYS 147 60.567 52.007 8.430 +ATOM 2346 C LYS 147 56.190 47.760 11.820 +ATOM 2347 O LYS 147 55.740 46.700 11.370 +ATOM 2348 N ARG 148 56.810 47.890 12.990 +ATOM 2349 H ARG 148 57.330 48.752 13.070 +ATOM 2350 CA ARG 148 57.010 46.870 14.000 +ATOM 2351 HA ARG 148 57.534 46.044 13.519 +ATOM 2352 CB ARG 148 57.810 47.300 15.250 +ATOM 2353 2HB ARG 148 57.269 48.106 15.746 +ATOM 2354 3HB ARG 148 57.885 46.446 15.923 +ATOM 2355 CG ARG 148 59.210 47.780 14.880 +ATOM 2356 2HG ARG 148 59.677 47.072 14.195 +ATOM 2357 3HG ARG 148 59.154 48.760 14.407 +ATOM 2358 CD ARG 148 60.060 47.880 16.180 +ATOM 2359 2HD ARG 148 59.946 46.932 16.706 +ATOM 2360 3HD ARG 148 61.098 48.001 15.871 +ATOM 2361 NE ARG 148 59.700 49.010 17.130 +ATOM 2362 HE ARG 148 59.185 48.647 17.919 +ATOM 2363 CZ ARG 148 59.890 50.300 17.050 +ATOM 2364 NH1 ARG 148 60.800 50.860 16.280 +ATOM 2365 1HH1 ARG 148 61.399 50.281 15.708 +ATOM 2366 2HH1 ARG 148 60.895 51.865 16.265 +ATOM 2367 NH2 ARG 148 59.170 51.010 17.840 +ATOM 2368 1HH2 ARG 148 58.515 50.560 18.463 +ATOM 2369 2HH2 ARG 148 59.262 52.016 17.835 +ATOM 2370 C ARG 148 55.660 46.100 14.340 +ATOM 2371 O ARG 148 55.470 44.980 13.780 +ATOM 2372 N VAL 149 54.690 46.720 15.050 +ATOM 2373 H VAL 149 55.002 47.574 15.489 +ATOM 2374 CA VAL 149 53.340 46.190 15.410 +ATOM 2375 HA VAL 149 53.458 45.334 16.075 +ATOM 2376 CB VAL 149 52.480 47.250 16.120 +ATOM 2377 HB VAL 149 52.353 48.063 15.405 +ATOM 2378 CG1 VAL 149 51.090 46.780 16.620 +ATOM 2379 1HG1 VAL 149 51.216 45.967 17.335 +ATOM 2380 2HG1 VAL 149 50.577 47.612 17.103 +ATOM 2381 3HG1 VAL 149 50.498 46.430 15.774 +ATOM 2382 CG2 VAL 149 53.190 47.810 17.390 +ATOM 2383 1HG2 VAL 149 54.136 48.270 17.105 +ATOM 2384 2HG2 VAL 149 52.552 48.556 17.864 +ATOM 2385 3HG2 VAL 149 53.379 46.996 18.090 +ATOM 2386 C VAL 149 52.700 45.510 14.200 +ATOM 2387 O VAL 149 52.540 44.320 14.200 +ATOM 2388 N ILE 150 52.320 46.250 13.120 +ATOM 2389 H ILE 150 52.285 47.234 13.347 +ATOM 2390 CA ILE 150 51.810 45.830 11.860 +ATOM 2391 HA ILE 150 50.771 45.610 12.107 +ATOM 2392 CB ILE 150 51.860 46.920 10.730 +ATOM 2393 HB ILE 150 52.903 47.222 10.630 +ATOM 2394 CG2 ILE 150 51.330 46.460 9.370 +ATOM 2395 1HG2 ILE 150 50.287 46.158 9.469 +ATOM 2396 2HG2 ILE 150 51.405 47.279 8.655 +ATOM 2397 3HG2 ILE 150 51.920 45.615 9.017 +ATOM 2398 CG1 ILE 150 50.830 48.030 11.180 +ATOM 2399 2HG1 ILE 150 49.828 47.639 11.000 +ATOM 2400 3HG1 ILE 150 50.970 48.192 12.249 +ATOM 2401 CD1 ILE 150 51.000 49.350 10.440 +ATOM 2402 1HD1 ILE 150 50.860 49.189 9.371 +ATOM 2403 2HD1 ILE 150 50.261 50.066 10.799 +ATOM 2404 3HD1 ILE 150 52.001 49.742 10.620 +ATOM 2405 C ILE 150 52.370 44.520 11.400 +ATOM 2406 O ILE 150 51.670 43.630 10.960 +ATOM 2407 N THR 151 53.730 44.360 11.380 +ATOM 2408 H THR 151 54.295 45.160 11.627 +ATOM 2409 CA THR 151 54.420 43.120 10.930 +ATOM 2410 HA THR 151 54.043 42.917 9.928 +ATOM 2411 CB THR 151 55.970 43.150 10.880 +ATOM 2412 HB THR 151 56.307 43.080 11.914 +ATOM 2413 CG2 THR 151 56.640 42.050 10.050 +ATOM 2414 1HG2 THR 151 56.304 42.119 9.015 +ATOM 2415 2HG2 THR 151 57.722 42.173 10.089 +ATOM 2416 3HG2 THR 151 56.371 41.074 10.454 +ATOM 2417 OG1 THR 151 56.470 44.360 10.310 +ATOM 2418 1HG THR 151 57.430 44.336 10.299 +ATOM 2419 C THR 151 53.990 41.940 11.790 +ATOM 2420 O THR 151 53.750 40.870 11.220 +ATOM 2421 N THR 152 53.930 42.140 13.120 +ATOM 2422 H THR 152 54.292 42.987 13.533 +ATOM 2423 CA THR 152 53.440 41.090 14.010 +ATOM 2424 HA THR 152 53.880 40.140 13.706 +ATOM 2425 CB THR 152 53.730 41.310 15.480 +ATOM 2426 HB THR 152 53.436 42.336 15.701 +ATOM 2427 CG2 THR 152 53.020 40.360 16.440 +ATOM 2428 1HG2 THR 152 53.314 39.334 16.220 +ATOM 2429 2HG2 THR 152 53.297 40.605 17.465 +ATOM 2430 3HG2 THR 152 51.941 40.462 16.322 +ATOM 2431 OG1 THR 152 55.190 41.170 15.650 +ATOM 2432 1HG THR 152 55.419 41.303 16.573 +ATOM 2433 C THR 152 51.880 40.870 13.790 +ATOM 2434 O THR 152 51.410 39.780 13.580 +ATOM 2435 N PHE 153 51.190 41.960 13.530 +ATOM 2436 H PHE 153 51.655 42.843 13.375 +ATOM 2437 CA PHE 153 49.690 41.910 13.400 +ATOM 2438 HA PHE 153 49.254 41.438 14.280 +ATOM 2439 CB PHE 153 49.140 43.300 13.280 +ATOM 2440 2HB PHE 153 49.785 44.074 13.696 +ATOM 2441 3HB PHE 153 48.971 43.498 12.222 +ATOM 2442 CG PHE 153 47.790 43.440 13.970 +ATOM 2443 CD1 PHE 153 46.910 42.390 14.210 +ATOM 2444 HD1 PHE 153 47.086 41.374 13.858 +ATOM 2445 CE1 PHE 153 45.740 42.690 14.950 +ATOM 2446 HE1 PHE 153 45.022 41.880 15.075 +ATOM 2447 CZ PHE 153 45.480 43.950 15.510 +ATOM 2448 HZ PHE 153 44.630 44.108 16.174 +ATOM 2449 CE2 PHE 153 46.340 45.020 15.200 +ATOM 2450 HE2 PHE 153 46.121 46.037 15.524 +ATOM 2451 CD2 PHE 153 47.480 44.760 14.470 +ATOM 2452 HD2 PHE 153 48.183 45.564 14.253 +ATOM 2453 C PHE 153 49.400 41.120 12.050 +ATOM 2454 O PHE 153 48.360 40.320 11.950 +ATOM 2455 N ARG 154 50.290 41.210 11.020 +ATOM 2456 H ARG 154 50.979 41.943 11.106 +ATOM 2457 CA ARG 154 50.220 40.460 9.750 +ATOM 2458 HA ARG 154 49.173 40.412 9.451 +ATOM 2459 CB ARG 154 51.030 41.070 8.600 +ATOM 2460 2HB ARG 154 50.807 42.136 8.567 +ATOM 2461 3HB ARG 154 52.087 40.927 8.827 +ATOM 2462 CG ARG 154 50.700 40.420 7.200 +ATOM 2463 2HG ARG 154 50.925 39.358 7.297 +ATOM 2464 3HG ARG 154 49.629 40.552 7.048 +ATOM 2465 CD ARG 154 51.480 41.010 5.970 +ATOM 2466 2HD ARG 154 51.480 40.274 5.166 +ATOM 2467 3HD ARG 154 50.975 41.916 5.633 +ATOM 2468 NE ARG 154 52.860 41.340 6.300 +ATOM 2469 HE ARG 154 52.955 42.339 6.414 +ATOM 2470 CZ ARG 154 53.950 40.560 6.500 +ATOM 2471 NH1 ARG 154 53.920 39.270 6.470 +ATOM 2472 1HH1 ARG 154 53.049 38.792 6.290 +ATOM 2473 2HH1 ARG 154 54.768 38.744 6.627 +ATOM 2474 NH2 ARG 154 55.130 41.050 6.700 +ATOM 2475 1HH2 ARG 154 55.263 42.051 6.711 +ATOM 2476 2HH2 ARG 154 55.913 40.429 6.844 +ATOM 2477 C ARG 154 50.560 38.970 10.020 +ATOM 2478 O ARG 154 49.720 38.190 9.730 +ATOM 2479 N THR 155 51.740 38.600 10.420 +ATOM 2480 H THR 155 52.341 39.336 10.761 +ATOM 2481 CA THR 155 52.250 37.260 10.400 +ATOM 2482 HA THR 155 51.912 36.824 9.460 +ATOM 2483 CB THR 155 53.780 37.090 10.500 +ATOM 2484 HB THR 155 53.938 36.013 10.549 +ATOM 2485 CG2 THR 155 54.650 37.680 9.400 +ATOM 2486 1HG2 THR 155 54.493 38.757 9.350 +ATOM 2487 2HG2 THR 155 55.699 37.476 9.616 +ATOM 2488 3HG2 THR 155 54.383 37.230 8.444 +ATOM 2489 OG1 THR 155 54.210 37.710 11.680 +ATOM 2490 1HG THR 155 55.162 37.616 11.762 +ATOM 2491 C THR 155 51.670 36.350 11.610 +ATOM 2492 O THR 155 51.550 35.160 11.610 +ATOM 2493 N GLY 156 51.180 37.060 12.620 +ATOM 2494 H GLY 156 50.893 38.019 12.484 +ATOM 2495 CA GLY 156 51.040 36.470 13.970 +ATOM 2496 2HA GLY 156 50.678 37.270 14.616 +ATOM 2497 3HA GLY 156 50.276 35.697 13.887 +ATOM 2498 C GLY 156 52.280 35.870 14.580 +ATOM 2499 O GLY 156 52.150 34.800 15.170 +ATOM 2500 N THR 157 53.470 36.480 14.390 +ATOM 2501 H THR 157 53.481 37.212 13.695 +ATOM 2502 CA THR 157 54.730 36.130 15.050 +ATOM 2503 HA THR 157 54.537 35.703 16.034 +ATOM 2504 CB THR 157 55.610 35.110 14.220 +ATOM 2505 HB THR 157 56.605 35.125 14.665 +ATOM 2506 CG2 THR 157 55.100 33.710 14.190 +ATOM 2507 1HG2 THR 157 54.105 33.695 13.745 +ATOM 2508 2HG2 THR 157 55.773 33.090 13.597 +ATOM 2509 3HG2 THR 157 55.049 33.320 15.206 +ATOM 2510 OG1 THR 157 55.800 35.470 12.880 +ATOM 2511 1HG THR 157 56.340 34.807 12.444 +ATOM 2512 C THR 157 55.570 37.380 15.350 +ATOM 2513 O THR 157 55.350 38.490 14.830 +ATOM 2514 N TRP 158 56.460 37.310 16.420 +ATOM 2515 H TRP 158 56.637 36.358 16.706 +ATOM 2516 CA TRP 158 57.200 38.430 17.140 +ATOM 2517 HA TRP 158 56.493 39.213 17.414 +ATOM 2518 CB TRP 158 57.880 37.920 18.410 +ATOM 2519 2HB TRP 158 58.553 37.101 18.155 +ATOM 2520 3HB TRP 158 58.442 38.710 18.909 +ATOM 2521 CG TRP 158 56.910 37.380 19.420 +ATOM 2522 CD1 TRP 158 56.840 36.120 19.840 +ATOM 2523 HD1 TRP 158 57.611 35.464 19.435 +ATOM 2524 NE1 TRP 158 55.780 35.910 20.720 +ATOM 2525 HE1 TRP 158 55.397 34.996 20.912 +ATOM 2526 CE2 TRP 158 55.200 37.070 21.020 +ATOM 2527 CZ2 TRP 158 54.050 37.460 21.750 +ATOM 2528 HZ2 TRP 158 53.585 36.638 22.295 +ATOM 2529 CH2 TRP 158 53.570 38.780 21.760 +ATOM 2530 HH2 TRP 158 52.658 39.091 22.270 +ATOM 2531 CZ3 TRP 158 54.330 39.750 21.060 +ATOM 2532 HZ3 TRP 158 54.176 40.820 21.201 +ATOM 2533 CE3 TRP 158 55.320 39.340 20.150 +ATOM 2534 HE3 TRP 158 55.634 40.111 19.447 +ATOM 2535 CD2 TRP 158 55.830 38.070 20.140 +ATOM 2536 C TRP 158 58.350 39.000 16.230 +ATOM 2537 O TRP 158 59.280 39.630 16.710 +ATOM 2538 N ASP 159 58.170 39.020 14.920 +ATOM 2539 H ASP 159 57.245 38.781 14.591 +ATOM 2540 CA ASP 159 59.230 39.250 13.920 +ATOM 2541 HA ASP 159 59.943 38.426 13.958 +ATOM 2542 CB ASP 159 58.660 39.340 12.500 +ATOM 2543 2HB ASP 159 57.898 40.119 12.528 +ATOM 2544 3HB ASP 159 59.445 39.625 11.799 +ATOM 2545 CG ASP 159 58.030 38.030 12.050 +ATOM 2546 OD1 ASP 159 58.580 37.380 11.170 +ATOM 2547 OD2 ASP 159 56.950 37.670 12.550 +ATOM 2548 C ASP 159 60.090 40.470 14.230 +ATOM 2549 O ASP 159 61.320 40.430 14.240 +ATOM 2550 N ALA 160 59.470 41.620 14.420 +ATOM 2551 H ALA 160 58.463 41.576 14.361 +ATOM 2552 CA ALA 160 60.070 42.870 14.620 +ATOM 2553 HA ALA 160 60.873 42.980 13.891 +ATOM 2554 CB ALA 160 59.050 43.930 14.370 +ATOM 2555 1HB ALA 160 58.244 43.838 15.098 +ATOM 2556 2HB ALA 160 59.514 44.912 14.465 +ATOM 2557 3HB ALA 160 58.645 43.816 13.364 +ATOM 2558 C ALA 160 60.690 43.030 16.000 +ATOM 2559 O ALA 160 61.340 44.050 16.260 +ATOM 2560 N TYR 161 60.360 42.120 16.950 +ATOM 2561 H TYR 161 59.730 41.373 16.694 +ATOM 2562 CA TYR 161 60.730 42.270 18.380 +ATOM 2563 HA TYR 161 61.180 43.247 18.556 +ATOM 2564 CB TYR 161 59.490 42.150 19.230 +ATOM 2565 2HB TYR 161 59.091 41.202 18.869 +ATOM 2566 3HB TYR 161 59.690 42.076 20.299 +ATOM 2567 CG TYR 161 58.480 43.250 18.980 +ATOM 2568 CD1 TYR 161 57.620 43.090 17.840 +ATOM 2569 HD1 TYR 161 57.663 42.167 17.261 +ATOM 2570 CE1 TYR 161 56.730 44.110 17.470 +ATOM 2571 HE1 TYR 161 55.999 43.993 16.670 +ATOM 2572 CZ TYR 161 56.740 45.330 18.280 +ATOM 2573 OH TYR 161 55.880 46.380 17.980 +ATOM 2574 HH TYR 161 55.320 46.201 17.221 +ATOM 2575 CE2 TYR 161 57.700 45.490 19.320 +ATOM 2576 HE2 TYR 161 57.783 46.461 19.808 +ATOM 2577 CD2 TYR 161 58.530 44.430 19.720 +ATOM 2578 HD2 TYR 161 59.185 44.546 20.584 +ATOM 2579 C TYR 161 61.870 41.340 18.770 +ATOM 2580 O TYR 161 62.560 41.620 19.760 +ATOM 2581 N LYS 162 62.070 40.200 18.030 +ATOM 2582 H LYS 162 61.477 40.074 17.222 +ATOM 2583 CA LYS 162 62.970 39.090 18.420 +ATOM 2584 HA LYS 162 63.396 39.263 19.408 +ATOM 2585 CB LYS 162 62.160 37.820 18.460 +ATOM 2586 2HB LYS 162 61.276 37.979 19.077 +ATOM 2587 3HB LYS 162 61.853 37.559 17.447 +ATOM 2588 CG LYS 162 63.010 36.660 19.060 +ATOM 2589 2HG LYS 162 63.732 36.374 18.295 +ATOM 2590 3HG LYS 162 63.538 37.073 19.920 +ATOM 2591 CD LYS 162 62.220 35.440 19.490 +ATOM 2592 2HD LYS 162 62.852 34.879 20.179 +ATOM 2593 3HD LYS 162 61.339 35.803 20.020 +ATOM 2594 CE LYS 162 61.780 34.520 18.330 +ATOM 2595 2HE LYS 162 60.797 34.093 18.530 +ATOM 2596 3HE LYS 162 61.751 35.073 17.391 +ATOM 2597 NZ LYS 162 62.790 33.420 18.230 +ATOM 2598 1HZ LYS 162 62.816 32.907 19.100 +ATOM 2599 2HZ LYS 162 62.534 32.795 17.479 +ATOM 2600 3HZ LYS 162 63.701 33.815 18.044 +ATOM 2601 C LYS 162 64.210 39.000 17.570 +ATOM 2602 O LYS 162 64.120 39.120 16.360 +ATOM 2603 OXT LYS 162 65.310 38.890 18.140 +TER +ATOM 2604 C1 TMP 163 41.249 44.585 18.477 +ATOM 2605 C2 TMP 163 41.765 45.448 19.452 +ATOM 2606 C3 TMP 163 41.804 44.568 17.193 +ATOM 2607 C4 TMP 163 40.093 43.673 18.812 +ATOM 2608 C5 TMP 163 42.837 46.293 19.141 +ATOM 2609 C6 TMP 163 42.876 45.414 16.882 +ATOM 2610 C7 TMP 163 43.392 46.276 17.857 +ATOM 2611 C8 TMP 163 44.548 47.188 17.522 +ATOM 2612 H1 TMP 163 41.344 45.461 20.426 +ATOM 2613 H2 TMP 163 41.413 43.914 16.453 +ATOM 2614 H3 TMP 163 40.317 42.653 18.465 +ATOM 2615 H4 TMP 163 39.938 43.664 19.902 +ATOM 2616 H5 TMP 163 39.182 44.038 18.314 +ATOM 2617 H6 TMP 163 43.229 46.947 19.881 +ATOM 2618 H7 TMP 163 43.297 45.401 15.908 +ATOM 2619 H8 TMP 163 45.334 46.612 17.012 +ATOM 2620 H9 TMP 163 44.199 47.996 16.861 +ATOM 2621 H10 TMP 163 44.954 47.621 18.448 +TER +END diff --git a/src/data/T4-lysozyme-L99A-implicit/complex.prmtop b/src/data/T4-lysozyme-L99A-implicit/complex.prmtop new file mode 100644 index 000000000..c5ade4ee8 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/complex.prmtop @@ -0,0 +1,12155 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 06/25/09 06:55:51 +%FLAG TITLE +%FORMAT(20a4) + +%FLAG POINTERS +%FORMAT(10I8) + 2621 14 1323 1318 2989 1775 5342 3091 0 0 + 14389 163 1318 1775 3091 43 91 29 30 0 + 0 0 0 0 0 0 0 0 24 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +N H1 H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N +H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 +HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG +CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG +HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 +HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22 +HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE 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b/src/data/T4-lysozyme-L99A-implicit/leap.log new file mode 100644 index 000000000..312f294ef --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/leap.log @@ -0,0 +1,907 @@ +log started: Thu Jun 25 06:55:50 2009 + +Log file: ./leap.log +>> # +>> # ----- leaprc for loading the Cornell et al. topology and +>> # parm96.dat for proteins +>> # assumes that any unspecified nucleic acids are DNA +>> # +>> # load atom type hybridizations +>> # +>> addAtomTypes { +>> { "H" "H" "sp3" } +>> { "HO" "H" "sp3" } +>> { "HS" "H" "sp3" } +>> { "H1" "H" "sp3" } +>> { "H2" "H" "sp3" } +>> { "H3" "H" "sp3" } +>> { "H4" "H" "sp3" } +>> { "H5" "H" "sp3" } +>> { "HW" "H" "sp3" } +>> { "HC" "H" "sp3" } +>> { "HA" "H" "sp3" } +>> { "HP" "H" "sp3" } +>> { "OH" "O" "sp3" } +>> { "OS" "O" "sp3" } +>> { "O" "O" "sp2" } +>> { "O2" "O" "sp2" } +>> { "OW" "O" "sp3" } +>> { "CT" "C" "sp3" } +>> { "CH" "C" "sp3" } +>> { "C2" "C" "sp3" } +>> { "C3" "C" "sp3" } +>> { "C" "C" "sp2" } +>> { "C*" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CB" "C" "sp2" } +>> { "CC" "C" "sp2" } +>> { "CN" "C" "sp2" } +>> { "CM" "C" "sp2" } +>> { "CK" "C" "sp2" } +>> { "CQ" "C" "sp2" } +>> { "CD" "C" "sp2" } +>> { "CE" "C" "sp2" } +>> { "CF" "C" "sp2" } +>> { "CG" "C" "sp2" } +>> { "CP" "C" "sp2" } +>> { "CI" "C" "sp2" } +>> { "CJ" "C" "sp2" } +>> { "CW" "C" "sp2" } +>> { "CV" "C" "sp2" } +>> { "CR" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CY" "C" "sp2" } +>> { "C0" "C" "sp2" } +>> { "MG" "Mg" "sp3" } +>> { "N" "N" "sp2" } +>> { "NA" "N" "sp2" } +>> { "N2" "N" "sp2" } +>> { "N*" "N" "sp2" } +>> { "NP" "N" "sp2" } +>> { "NQ" "N" "sp2" } +>> { "NB" "N" "sp2" } +>> { "NC" "N" "sp2" } +>> { "NT" "N" "sp3" } +>> { "N3" "N" "sp3" } +>> { "S" "S" "sp3" } +>> { "SH" "S" "sp3" } +>> { "P" "P" "sp3" } +>> { "LP" "" "sp3" } +>> { "F" "F" "sp3" } +>> { "CL" "Cl" "sp3" } +>> { "BR" "Br" "sp3" } +>> { "I" "I" "sp3" } +>> { "FE" "Fe" "sp3" } +>> # glycam +>> { "OG" "O" "sp3" } +>> { "OL" "O" "sp3" } +>> { "AC" "C" "sp3" } +>> { "EC" "C" "sp3" } +>> } +>> # +>> # Load the main parameter set. +>> # +>> parm96 = loadamberparams parm96.dat +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/parm96.dat +Reading title: +PARM96 for DNA, RNA and proteins with TIP3P Water. USE SCEE=1.2 in energy progs +(UNKNOWN ATOM TYPE: IM) +(UNKNOWN ATOM TYPE: Li) +(UNKNOWN ATOM TYPE: IP) +(UNKNOWN ATOM TYPE: K) +(UNKNOWN ATOM TYPE: Rb) +(UNKNOWN ATOM TYPE: Cs) +(UNKNOWN ATOM TYPE: IB) +>> # +>> # Load DNA/RNA libraries +>> # +>> loadOff all_nucleic94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_nucleic94.lib +Loading: DA +Loading: DA3 +Loading: DA5 +Loading: DAN +Loading: DC +Loading: DC3 +Loading: DC5 +Loading: DCN +Loading: DG +Loading: DG3 +Loading: DG5 +Loading: DGN +Loading: DT +Loading: DT3 +Loading: DT5 +Loading: DTN +Loading: RA +Loading: RA3 +Loading: RA5 +Loading: RAN +Loading: RC +Loading: RC3 +Loading: RC5 +Loading: RCN +Loading: RG +Loading: RG3 +Loading: RG5 +Loading: RGN +Loading: RU +Loading: RU3 +Loading: RU5 +Loading: RUN +>> # +>> # Load main chain and terminating +>> # amino acid libraries. +>> # +>> loadOff all_amino94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_amino94.lib +Loading: ALA +Loading: ARG +Loading: ASH +Loading: ASN +Loading: ASP +Loading: CYM +Loading: CYS +Loading: CYX +Loading: GLH +Loading: GLN +Loading: GLU +Loading: GLY +Loading: HID +Loading: HIE +Loading: HIP +Loading: ILE +Loading: LEU +Loading: LYN +Loading: LYS +Loading: MET +Loading: PHE +Loading: PRO +Loading: SER +Loading: THR +Loading: TRP +Loading: TYR +Loading: VAL +>> loadOff all_aminoct94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminoct94.lib +Loading: CALA +Loading: CARG +Loading: CASN +Loading: CASP +Loading: CCYS +Loading: CCYX +Loading: CGLN +Loading: CGLU +Loading: CGLY +Loading: CHID +Loading: CHIE +Loading: CHIP +Loading: CILE +Loading: CLEU +Loading: CLYS +Loading: CMET +Loading: CPHE +Loading: CPRO +Loading: CSER +Loading: CTHR +Loading: CTRP +Loading: CTYR +Loading: CVAL +Loading: NHE +Loading: NME +>> loadOff all_aminont94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminont94.lib +Loading: ACE +Loading: NALA +Loading: NARG +Loading: NASN +Loading: NASP +Loading: NCYS +Loading: NCYX +Loading: NGLN +Loading: NGLU +Loading: NGLY +Loading: NHID +Loading: NHIE +Loading: NHIP +Loading: NILE +Loading: NLEU +Loading: NLYS +Loading: NMET +Loading: NPHE +Loading: NPRO +Loading: NSER +Loading: NTHR +Loading: NTRP +Loading: NTYR +Loading: NVAL +>> +>> loadOff ions94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/ions94.lib +Loading: CIO +Loading: Cl- +Loading: Cs+ +Loading: IB +Loading: K+ +Loading: Li+ +Loading: MG2 +Loading: Na+ +Loading: Rb+ +>> loadOff solvents.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/solvents.lib +Loading: CHCL3BOX +Loading: DC4 +Loading: MEOHBOX +Loading: NMABOX +Loading: PL3 +Loading: POL3BOX +Loading: QSPCFWBOX +Loading: SPC +Loading: SPCBOX +Loading: SPCFWBOX +Loading: SPF +Loading: SPG +Loading: T4E +Loading: TIP3PBOX +Loading: TIP3PFBOX +Loading: TIP4PBOX +Loading: TIP4PEWBOX +Loading: TP3 +Loading: TP4 +Loading: TP5 +Loading: TPF +>> HOH = TP3 +>> WAT = TP3 +>> +>> +>> # +>> # Define the PDB name map for the amino acids and DNA. +>> # +>> addPdbResMap { +>> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } +>> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } +>> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } +>> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } +>> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } +>> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } +>> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } +>> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } +>> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } +>> { 0 "HID" "NHID" } { 1 "HID" "CHID" } +>> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } +>> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } +>> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } +>> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } +>> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } +>> { 0 "MET" "NMET" } { 1 "MET" "CMET" } +>> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } +>> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } +>> { 0 "SER" "NSER" } { 1 "SER" "CSER" } +>> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } +>> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } +>> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } +>> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } +>> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } +>> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } +>> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } +>> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } +>> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } +>> { 0 "G" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } +>> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } +>> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } +>> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } +>> { 0 "C5" "DC5" } +>> { 0 "G5" "DG5" } +>> { 0 "A5" "DA5" } +>> { 0 "T5" "DT5" } +>> { 1 "C3" "DC3" } +>> { 1 "G3" "DG3" } +>> { 1 "A3" "DA3" } +>> { 1 "T3" "DT3" } +>> +>> } +>> +>> addPdbAtomMap { +>> { "O5*" "O5'" } +>> { "C5*" "C5'" } +>> { "C4*" "C4'" } +>> { "O4*" "O4'" } +>> { "C3*" "C3'" } +>> { "O3*" "O3'" } +>> { "C2*" "C2'" } +>> { "C1*" "C1'" } +>> { "C5M" "C7" } +>> { "H1*" "H1'" } +>> { "H2*1" "H2'1" } +>> { "H2*2" "H2'2" } +>> { "H3*" "H3'" } +>> { "H4*" "H4'" } +>> { "H5*1" "H5'1" } +>> { "H5*2" "H5'2" } +>> # old ff atom names -> new +>> { "O1'" "O4'" } +>> { "OA" "O1P" } +>> { "OB" "O2P" } +>> } +>> +>> +>> # +>> # assumed that most often proteins use HIE +>> # +>> NHIS = NHIE +>> HIS = HIE +>> CHIS = CHIE +> +> +> # Load GAFF parameters. +> source leaprc.gaff +----- Source: /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.gaff +----- Source of /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.gaff done +>> logFile leap.log +log started: Thu Jun 25 06:55:50 2009 + +Log file: ./leap.log +>> # +>> # ----- leaprc for loading the general Amber Force field. +>> # This file is mostly for use with Antechamber +>> # +>> # load atom type hybridizations +>> # +>> addAtomTypes { +>> { "h1" "H" "sp3" } +>> { "h2" "H" "sp3" } +>> { "h3" "H" "sp3" } +>> { "h4" "H" "sp3" } +>> { "h5" "H" "sp3" } +>> { "ha" "H" "sp3" } +>> { "hc" "H" "sp3" } +>> { "hn" "H" "sp3" } +>> { "ho" "H" "sp3" } +>> { "hp" "H" "sp3" } +>> { "hs" "H" "sp3" } +>> { "hw" "H" "sp3" } +>> { "hx" "H" "sp3" } +>> { "o" "O" "sp2" } +>> { "o2" "O" "sp2" } +>> { "oh" "O" "sp3" } +>> { "os" "O" "sp3" } +>> { "ow" "O" "sp3" } +>> { "c" "C" "sp2" } +>> { "c1" "C" "sp2" } +>> { "c2" "C" "sp2" } +>> { "c3" "C" "sp3" } +>> { "ca" "C" "sp2" } +>> { "cc" "C" "sp2" } +>> { "cd" "C" "sp2" } +>> { "ce" "C" "sp2" } +>> { "cf" "C" "sp2" } +>> { "cg" "C" "sp2" } +>> { "ch" "C" "sp2" } +>> { "cp" "C" "sp2" } +>> { "cq" "C" "sp2" } +>> { "cu" "C" "sp2" } +>> { "cv" "C" "sp2" } +>> { "cx" "C" "sp2" } +>> { "cy" "C" "sp2" } +>> { "n" "N" "sp2" } +>> { "n1" "N" "sp2" } +>> { "n2" "N" "sp2" } +>> { "n3" "N" "sp3" } +>> { "n4" "N" "sp3" } +>> { "na" "N" "sp2" } +>> { "nb" "N" "sp2" } +>> { "nc" "N" "sp2" } +>> { "nd" "N" "sp2" } +>> { "ne" "N" "sp2" } +>> { "nf" "N" "sp2" } +>> { "nh" "N" "sp2" } +>> { "no" "N" "sp2" } +>> { "s" "S" "sp2" } +>> { "s2" "S" "sp2" } +>> { "s3" "S" "sp3" } +>> { "s4" "S" "sp3" } +>> { "s6" "S" "sp3" } +>> { "sh" "S" "sp3" } +>> { "ss" "S" "sp3" } +>> { "sx" "S" "sp3" } +>> { "sy" "S" "sp3" } +>> { "p2" "P" "sp2" } +>> { "p3" "P" "sp3" } +>> { "p4" "P" "sp3" } +>> { "p5" "P" "sp3" } +>> { "pb" "P" "sp3" } +>> { "pd" "P" "sp3" } +>> { "px" "P" "sp3" } +>> { "py" "P" "sp3" } +>> { "f" "F" "sp3" } +>> { "cl" "Cl" "sp3" } +>> { "br" "Br" "sp3" } +>> { "i" "I" "sp3" } +>> } +>> # +>> # Load the general force field parameter set. +>> # +>> gaff = loadamberparams gaff.dat +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/gaff.dat +Reading title: +AMBER General Force Field for organic mol., add. info. at the end (June, 2003) +> +> +> # Set GB radii to recommended values for OBC. +> set default PBRadii mbondi2 +Using H(N)-modified Bondi radii +> +> # Load in protein. +> receptor = loadPdb receptor.pdb +Loading PDB file: ./receptor.pdb +Enter zPdbReadScan from call depth 0. +Exit zPdbReadScan from call depth 0. +Matching PDB residue names to LEaP variables. +Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET. +(Residue 1: ASN, Nonterminal, was not found in name map.) +(Residue 2: ILE, Nonterminal, was not found in name map.) +(Residue 3: PHE, Nonterminal, was not found in name map.) +(Residue 4: GLU, Nonterminal, was not found in name map.) +(Residue 5: MET, Nonterminal, was not found in name map.) +(Residue 6: LEU, Nonterminal, was not found in name map.) +(Residue 7: ARG, Nonterminal, was not found in name map.) +(Residue 8: ILE, Nonterminal, was not found in name map.) +(Residue 9: ASP, Nonterminal, was not found in name map.) +(Residue 10: GLU, Nonterminal, was not found in name map.) +(Residue 11: GLY, Nonterminal, was not found in name map.) +(Residue 12: LEU, Nonterminal, was not found in name map.) +(Residue 13: ARG, Nonterminal, was not found in name map.) +(Residue 14: LEU, Nonterminal, was not found in name map.) +(Residue 15: LYS, Nonterminal, was not found in name map.) +(Residue 16: ILE, Nonterminal, was not found in name map.) +(Residue 17: TYR, Nonterminal, was not found in name map.) +(Residue 18: LYS, Nonterminal, was not found in name map.) +(Residue 19: ASP, Nonterminal, was not found in name map.) +(Residue 20: THR, Nonterminal, was not found in name map.) +(Residue 21: GLU, Nonterminal, was not found in name map.) +(Residue 22: GLY, Nonterminal, was not found in name map.) +(Residue 23: TYR, Nonterminal, was not found in name map.) +(Residue 24: TYR, Nonterminal, was not found in name map.) +(Residue 25: THR, Nonterminal, was not found in name map.) +(Residue 26: ILE, Nonterminal, was not found in name map.) +(Residue 27: GLY, Nonterminal, was not found in name map.) +(Residue 28: ILE, Nonterminal, was not found in name map.) +(Residue 29: GLY, Nonterminal, was not found in name map.) +(Residue 30: HIE, Nonterminal, was not found in name map.) +(Residue 31: LEU, Nonterminal, was not found in name map.) +(Residue 32: LEU, Nonterminal, was not found in name map.) +(Residue 33: THR, Nonterminal, was not found in name map.) +(Residue 34: LYS, Nonterminal, was not found in name map.) +(Residue 35: SER, Nonterminal, was not found in name map.) +(Residue 36: PRO, Nonterminal, was not found in name map.) +(Residue 37: SER, Nonterminal, was not found in name map.) +(Residue 38: LEU, Nonterminal, was not found in name map.) +(Residue 39: ASN, Nonterminal, was not found in name map.) +(Residue 40: ALA, Nonterminal, was not found in name map.) +(Residue 41: ALA, Nonterminal, was not found in name map.) +(Residue 42: LYS, Nonterminal, was not found in name map.) +(Residue 43: SER, Nonterminal, was not found in name map.) +(Residue 44: GLU, Nonterminal, was not found in name map.) +(Residue 45: LEU, Nonterminal, was not found in name map.) +(Residue 46: ASP, Nonterminal, was not found in name map.) +(Residue 47: LYS, Nonterminal, was not found in name map.) +(Residue 48: ALA, Nonterminal, was not found in name map.) +(Residue 49: ILE, Nonterminal, was not found in name map.) +(Residue 50: GLY, Nonterminal, was not found in name map.) +(Residue 51: ARG, Nonterminal, was not found in name map.) +(Residue 52: ASN, Nonterminal, was not found in name map.) +(Residue 53: THR, Nonterminal, was not found in name map.) +(Residue 54: ASN, Nonterminal, was not found in name map.) +(Residue 55: GLY, Nonterminal, was not found in name map.) +(Residue 56: VAL, Nonterminal, was not found in name map.) +(Residue 57: ILE, Nonterminal, was not found in name map.) +(Residue 58: THR, Nonterminal, was not found in name map.) +(Residue 59: LYS, Nonterminal, was not found in name map.) +(Residue 60: ASP, Nonterminal, was not found in name map.) +(Residue 61: GLU, Nonterminal, was not found in name map.) +(Residue 62: ALA, Nonterminal, was not found in name map.) +(Residue 63: GLU, Nonterminal, was not found in name map.) +(Residue 64: LYS, Nonterminal, was not found in name map.) +(Residue 65: LEU, Nonterminal, was not found in name map.) +(Residue 66: PHE, Nonterminal, was not found in name map.) +(Residue 67: ASN, Nonterminal, was not found in name map.) +(Residue 68: GLN, Nonterminal, was not found in name map.) +(Residue 69: ASP, Nonterminal, was not found in name map.) +(Residue 70: VAL, Nonterminal, was not found in name map.) +(Residue 71: ASP, Nonterminal, was not found in name map.) +(Residue 72: ALA, Nonterminal, was not found in name map.) +(Residue 73: ALA, Nonterminal, was not found in name map.) +(Residue 74: VAL, Nonterminal, was not found in name map.) +(Residue 75: ARG, Nonterminal, was not found in name map.) +(Residue 76: GLY, Nonterminal, was not found in name map.) +(Residue 77: ILE, Nonterminal, was not found in name map.) +(Residue 78: LEU, Nonterminal, was not found in name map.) +(Residue 79: ARG, Nonterminal, was not found in name map.) +(Residue 80: ASN, Nonterminal, was not found in name map.) +(Residue 81: ALA, Nonterminal, was not found in name map.) +(Residue 82: LYS, Nonterminal, was not found in name map.) +(Residue 83: LEU, Nonterminal, was not found in name map.) +(Residue 84: LYS, Nonterminal, was not found in name map.) +(Residue 85: PRO, Nonterminal, was not found in name map.) +(Residue 86: VAL, Nonterminal, was not found in name map.) +(Residue 87: TYR, Nonterminal, was not found in name map.) +(Residue 88: ASP, Nonterminal, was not found in name map.) +(Residue 89: SER, Nonterminal, was not found in name map.) +(Residue 90: LEU, Nonterminal, was not found in name map.) +(Residue 91: ASP, Nonterminal, was not found in name map.) +(Residue 92: ALA, Nonterminal, was not found in name map.) +(Residue 93: VAL, Nonterminal, was not found in name map.) +(Residue 94: ARG, Nonterminal, was not found in name map.) +(Residue 95: ARG, Nonterminal, was not found in name map.) +(Residue 96: ALA, Nonterminal, was not found in name map.) +(Residue 97: ALA, Nonterminal, was not found in name map.) +(Residue 98: ALA, Nonterminal, was not found in name map.) +(Residue 99: ILE, Nonterminal, was not found in name map.) +(Residue 100: ASN, Nonterminal, was not found in name map.) +(Residue 101: MET, Nonterminal, was not found in name map.) +(Residue 102: VAL, Nonterminal, was not found in name map.) +(Residue 103: PHE, Nonterminal, was not found in name map.) +(Residue 104: GLN, Nonterminal, was not found in name map.) +(Residue 105: MET, Nonterminal, was not found in name map.) +(Residue 106: GLY, Nonterminal, was not found in name map.) +(Residue 107: GLU, Nonterminal, was not found in name map.) +(Residue 108: THR, Nonterminal, was not found in name map.) +(Residue 109: GLY, Nonterminal, was not found in name map.) +(Residue 110: VAL, Nonterminal, was not found in name map.) +(Residue 111: ALA, Nonterminal, was not found in name map.) +(Residue 112: GLY, Nonterminal, was not found in name map.) +(Residue 113: PHE, Nonterminal, was not found in name map.) +(Residue 114: THR, Nonterminal, was not found in name map.) +(Residue 115: ASN, Nonterminal, was not found in name map.) +(Residue 116: SER, Nonterminal, was not found in name map.) +(Residue 117: LEU, Nonterminal, was not found in name map.) +(Residue 118: ARG, Nonterminal, was not found in name map.) +(Residue 119: MET, Nonterminal, was not found in name map.) +(Residue 120: LEU, Nonterminal, was not found in name map.) +(Residue 121: GLN, Nonterminal, was not found in name map.) +(Residue 122: GLN, Nonterminal, was not found in name map.) +(Residue 123: LYS, Nonterminal, was not found in name map.) +(Residue 124: ARG, Nonterminal, was not found in name map.) +(Residue 125: TRP, Nonterminal, was not found in name map.) +(Residue 126: ASP, Nonterminal, was not found in name map.) +(Residue 127: GLU, Nonterminal, was not found in name map.) +(Residue 128: ALA, Nonterminal, was not found in name map.) +(Residue 129: ALA, Nonterminal, was not found in name map.) +(Residue 130: VAL, Nonterminal, was not found in name map.) +(Residue 131: ASN, Nonterminal, was not found in name map.) +(Residue 132: LEU, Nonterminal, was not found in name map.) +(Residue 133: ALA, Nonterminal, was not found in name map.) +(Residue 134: LYS, Nonterminal, was not found in name map.) +(Residue 135: SER, Nonterminal, was not found in name map.) +(Residue 136: ARG, Nonterminal, was not found in name map.) +(Residue 137: TRP, Nonterminal, was not found in name map.) +(Residue 138: TYR, Nonterminal, was not found in name map.) +(Residue 139: ASN, Nonterminal, was not found in name map.) +(Residue 140: GLN, Nonterminal, was not found in name map.) +(Residue 141: THR, Nonterminal, was not found in name map.) +(Residue 142: PRO, Nonterminal, was not found in name map.) +(Residue 143: ASN, Nonterminal, was not found in name map.) +(Residue 144: ARG, Nonterminal, was not found in name map.) +(Residue 145: ALA, Nonterminal, was not found in name map.) +(Residue 146: LYS, Nonterminal, was not found in name map.) +(Residue 147: ARG, Nonterminal, was not found in name map.) +(Residue 148: VAL, Nonterminal, was not found in name map.) +(Residue 149: ILE, Nonterminal, was not found in name map.) +(Residue 150: THR, Nonterminal, was not found in name map.) +(Residue 151: THR, Nonterminal, was not found in name map.) +(Residue 152: PHE, Nonterminal, was not found in name map.) +(Residue 153: ARG, Nonterminal, was not found in name map.) +(Residue 154: THR, Nonterminal, was not found in name map.) +(Residue 155: GLY, Nonterminal, was not found in name map.) +(Residue 156: THR, Nonterminal, was not found in name map.) +(Residue 157: TRP, Nonterminal, was not found in name map.) +(Residue 158: ASP, Nonterminal, was not found in name map.) +(Residue 159: ALA, Nonterminal, was not found in name map.) +(Residue 160: TYR, Nonterminal, was not found in name map.) +Mapped residue LYS, term: Terminal/last, seq. number: 161 to: CLYS. +Joining NMET - ASN +Joining ASN - ILE +Joining ILE - PHE +Joining PHE - GLU +Joining GLU - MET +Joining MET - LEU +Joining LEU - ARG +Joining ARG - ILE +Joining ILE - ASP +Joining ASP - GLU +Joining GLU - GLY +Joining GLY - LEU +Joining LEU - ARG +Joining ARG - LEU +Joining LEU - LYS +Joining LYS - ILE +Joining ILE - TYR +Joining TYR - LYS +Joining LYS - ASP +Joining ASP - THR +Joining THR - GLU +Joining GLU - GLY +Joining GLY - TYR +Joining TYR - TYR +Joining TYR - THR +Joining THR - ILE +Joining ILE - GLY +Joining GLY - ILE +Joining ILE - GLY +Joining GLY - HIE +Joining HIE - LEU +Joining LEU - LEU +Joining LEU - THR +Joining THR - LYS +Joining LYS - SER +Joining SER - PRO +Joining PRO - SER +Joining SER - LEU +Joining LEU - ASN +Joining ASN - ALA +Joining ALA - ALA +Joining ALA - LYS +Joining LYS - SER +Joining SER - GLU +Joining GLU - LEU +Joining LEU - ASP +Joining ASP - LYS +Joining LYS - ALA +Joining ALA - ILE +Joining ILE - GLY +Joining GLY - ARG +Joining ARG - ASN +Joining ASN - THR +Joining THR - ASN +Joining ASN - GLY +Joining GLY - VAL +Joining VAL - ILE +Joining ILE - THR +Joining THR - LYS +Joining LYS - ASP +Joining ASP - GLU +Joining GLU - ALA +Joining ALA - GLU +Joining GLU - LYS +Joining LYS - LEU +Joining LEU - PHE +Joining PHE - ASN +Joining ASN - GLN +Joining GLN - ASP +Joining ASP - VAL +Joining VAL - ASP +Joining ASP - ALA +Joining ALA - ALA +Joining ALA - VAL +Joining VAL - ARG +Joining ARG - GLY +Joining GLY - ILE +Joining ILE - LEU +Joining LEU - ARG +Joining ARG - ASN +Joining ASN - ALA +Joining ALA - LYS +Joining LYS - LEU +Joining LEU - LYS +Joining LYS - PRO +Joining PRO - VAL +Joining VAL - TYR +Joining TYR - ASP +Joining ASP - SER +Joining SER - LEU +Joining LEU - ASP +Joining ASP - ALA +Joining ALA - VAL +Joining VAL - ARG +Joining ARG - ARG +Joining ARG - ALA +Joining ALA - ALA +Joining ALA - ALA +Joining ALA - ILE +Joining ILE - ASN +Joining ASN - MET +Joining MET - VAL +Joining VAL - PHE +Joining PHE - GLN +Joining GLN - MET +Joining MET - GLY +Joining GLY - GLU +Joining GLU - THR +Joining THR - GLY +Joining GLY - VAL +Joining VAL - ALA +Joining ALA - GLY +Joining GLY - PHE +Joining PHE - THR +Joining THR - ASN +Joining ASN - SER +Joining SER - LEU +Joining LEU - ARG +Joining ARG - MET +Joining MET - LEU +Joining LEU - GLN +Joining GLN - GLN +Joining GLN - LYS +Joining LYS - ARG +Joining ARG - TRP +Joining TRP - ASP +Joining ASP - GLU +Joining GLU - ALA +Joining ALA - ALA +Joining ALA - VAL +Joining VAL - ASN +Joining ASN - LEU +Joining LEU - ALA +Joining ALA - LYS +Joining LYS - SER +Joining SER - ARG +Joining ARG - TRP +Joining TRP - TYR +Joining TYR - ASN +Joining ASN - GLN +Joining GLN - THR +Joining THR - PRO +Joining PRO - ASN +Joining ASN - ARG +Joining ARG - ALA +Joining ALA - LYS +Joining LYS - ARG +Joining ARG - VAL +Joining VAL - ILE +Joining ILE - THR +Joining THR - THR +Joining THR - PHE +Joining PHE - ARG +Joining ARG - THR +Joining THR - GLY +Joining GLY - THR +Joining THR - TRP +Joining TRP - ASP +Joining ASP - ALA +Joining ALA - TYR +Joining TYR - CLYS + total atoms in file: 1290 + Leap added 1313 missing atoms according to residue templates: + 1313 H / lone pairs +> +> # Load parameters for ligand. +> mods = loadAmberParams ligand.frcmod +Loading parameters: ./ligand.frcmod +Reading force field modification type file (frcmod) +Reading title: +remark goes here +> +> # Load parameters for ligand. +> loadAmberParams ligand.frcmod +Loading parameters: ./ligand.frcmod +Reading force field modification type file (frcmod) +Reading title: +remark goes here +> +> # Load ligand. +> ligand = loadMol2 ligand.mol2 +Loading Mol2 file: ./ligand.mol2 +Reading MOLECULE named TMP +> +> # Create complex. +> complex = combine { receptor ligand } + Sequence: + Sequence: TMP +> +> # Check complex. +> check complex +Checking 'complex'.... +WARNING: The unperturbed charge of the unit: 8.000200 is not zero. +Warning: Close contact of 1.518782 angstroms between .R.A and .R.A +Warning: Close contact of 2.072268 angstroms between .R.A and .R.A +Checking parameters for unit 'complex'. +Checking for bond parameters. +Checking for angle parameters. +check: Warnings: 3 +Unit is OK. +> +> # Report on net charge. +> charge complex +Total unperturbed charge: 8.000200 +Total perturbed charge: 8.000200 +> +> # Write parameters. +> saveAmberParm ligand ligand.prmtop ligand.crd +Checking Unit. +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 6 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + TMP 1 + ) + (no restraints) +> saveAmberParm receptor receptor.prmtop receptor.crd +Checking Unit. +WARNING: The unperturbed charge of the unit: 8.000000 is not zero. + + -- ignoring the warning. + +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + total 516 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + CLYS 1 + NMET 1 + ) + (no restraints) +> saveAmberParm complex complex.prmtop complex.crd +Checking Unit. +WARNING: The unperturbed charge of the unit: 8.000200 is not zero. + + -- ignoring the warning. + +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + ** Warning: No sp2 improper torsion term for NA-CA-CN-CB + atoms are: NE1 CZ2 CE2 CD2 + ** Warning: No sp2 improper torsion term for C*-CN-CB-CA + atoms are: CG CE2 CD2 CE3 + total 522 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + CLYS 1 + NMET 1 + TMP 1 + ) + (no restraints) +> +> # Exit +> quit + Quit diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand-min.sander.out b/src/data/T4-lysozyme-L99A-implicit/ligand-min.sander.out new file mode 100644 index 000000000..9ed4457f1 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand-min.sander.out @@ -0,0 +1,4153 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 06:55:52 + [-O]verwriting output + +File Assignments: +| MDIN: min.sander.in +| MDOUT: ligand-min.sander.out +|INPCRD: ligand.crd +| PARM: ligand.prmtop +|RESTRT: ligand-minimized.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Minimization + &cntrl + imin = 1, maxcyc = 500, ncyc = 50, + ntb = 0, + igb=2, cut=999.0, rgbmax=999.0, + ntpr = 1, + &end + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 18 NTYPES = 4 NBONH = 10 MBONA = 8 + NTHETH = 20 MTHETA = 10 NPHIH = 30 MPHIA = 12 + NHPARM = 0 NPARM = 0 NNB = 85 NRES = 1 + NBONA = 8 NTHETA = 10 NPHIA = 12 NUMBND = 4 + NUMANG = 5 NPTRA = 3 NATYP = 4 NPHB = 0 + IFBOX = 0 NMXRS = 18 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 1303 +| Hollerith 111 +| Integer 20774 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 91 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + +TMP + +General flags: + imin = 1, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 1, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 1, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Energy minimization: + maxcyc = 500, ncyc = 50, ntmin = 1 + dx0 = 0.01000, drms = 0.00010 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + +TMP + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 1 -2.6516E+00 9.1794E+00 2.4666E+01 C2 2 + + BOND = 1.5003 ANGLE = 0.1617 DIHED = 0.0000 + VDWAALS = -0.4271 EEL = 3.4380 EGB = -3.7176 + 1-4 VDW = 4.5686 1-4 EEL = -8.1755 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 2 -3.3196E+00 6.0606E+00 1.5148E+01 C2 2 + + BOND = 0.7747 ANGLE = 0.1474 DIHED = 0.0000 + VDWAALS = -0.4303 EEL = 3.4216 EGB = -3.7554 + 1-4 VDW = 4.6839 1-4 EEL = -8.1616 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 3 -3.7800E+00 2.9546E+00 7.0216E+00 H1 9 + + BOND = 0.2464 ANGLE = 0.1346 DIHED = 0.0000 + VDWAALS = -0.4354 EEL = 3.4025 EGB = -3.8016 + 1-4 VDW = 4.8205 1-4 EEL = -8.1471 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 4 -3.9919E+00 1.8296E+00 4.2585E+00 C2 2 + + BOND = 0.0507 ANGLE = 0.0921 DIHED = 0.0000 + VDWAALS = -0.4455 EEL = 3.3836 EGB = -3.8514 + 1-4 VDW = 4.9143 1-4 EEL = -8.1358 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 5 -4.0790E+00 2.5067E+00 5.6579E+00 C1 1 + + BOND = 0.2514 ANGLE = 0.0423 DIHED = 0.0000 + VDWAALS = -0.4583 EEL = 3.3872 EGB = -3.8399 + 1-4 VDW = 4.6685 1-4 EEL = -8.1302 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 6 -3.9493E+00 4.5843E+00 1.1167E+01 C1 1 + + BOND = 0.1683 ANGLE = 0.0649 DIHED = 0.0001 + VDWAALS = -0.4679 EEL = 3.3599 EGB = -3.9084 + 1-4 VDW = 4.9458 1-4 EEL = -8.1119 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 7 -4.1947E+00 1.1869E+00 3.2817E+00 C2 2 + + BOND = 0.0904 ANGLE = 0.0403 DIHED = 0.0001 + VDWAALS = -0.4688 EEL = 3.3670 EGB = -3.8855 + 1-4 VDW = 4.7728 1-4 EEL = -8.1109 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 8 -4.1387E+00 3.0290E+00 7.1290E+00 C6 6 + + BOND = 0.2928 ANGLE = 0.0616 DIHED = 0.0001 + VDWAALS = -0.4748 EEL = 3.3778 EGB = -3.8597 + 1-4 VDW = 4.5825 1-4 EEL = -8.1190 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 9 -4.2361E+00 8.7567E-01 1.7396E+00 C3 3 + + BOND = 0.1705 ANGLE = 0.0429 DIHED = 0.0001 + VDWAALS = -0.4762 EEL = 3.3678 EGB = -3.8789 + 1-4 VDW = 4.6440 1-4 EEL = -8.1063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 10 -4.2313E+00 1.5692E+00 4.0063E+00 C7 7 + + BOND = 0.1198 ANGLE = 0.0506 DIHED = 0.0002 + VDWAALS = -0.4808 EEL = 3.3578 EGB = -3.9023 + 1-4 VDW = 4.7225 1-4 EEL = -8.0991 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 11 -4.2610E+00 5.1350E-01 1.1322E+00 H4 12 + + BOND = 0.1442 ANGLE = 0.0462 DIHED = 0.0002 + VDWAALS = -0.4815 EEL = 3.3598 EGB = -3.8946 + 1-4 VDW = 4.6624 1-4 EEL = -8.0978 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 12 -4.2665E+00 9.4060E-01 2.1362E+00 C5 5 + + BOND = 0.1771 ANGLE = 0.0551 DIHED = 0.0002 + VDWAALS = -0.4844 EEL = 3.3617 EGB = -3.8886 + 1-4 VDW = 4.6114 1-4 EEL = -8.0991 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 13 -4.2591E+00 1.6033E+00 4.1082E+00 C5 5 + + BOND = 0.1778 ANGLE = 0.0474 DIHED = 0.0002 + VDWAALS = -0.4865 EEL = 3.3534 EGB = -3.9025 + 1-4 VDW = 4.6376 1-4 EEL = -8.0866 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 14 -4.2812E+00 4.1052E-01 9.3434E-01 H10 18 + + BOND = 0.1609 ANGLE = 0.0508 DIHED = 0.0002 + VDWAALS = -0.4869 EEL = 3.3560 EGB = -3.8986 + 1-4 VDW = 4.6280 1-4 EEL = -8.0915 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 15 -4.2859E+00 6.4831E-01 1.4284E+00 C3 3 + + BOND = 0.1814 ANGLE = 0.0571 DIHED = 0.0003 + VDWAALS = -0.4889 EEL = 3.3572 EGB = -3.8948 + 1-4 VDW = 4.5944 1-4 EEL = -8.0926 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 16 -4.2835E+00 1.1297E+00 2.9036E+00 C5 5 + + BOND = 0.1797 ANGLE = 0.0519 DIHED = 0.0003 + VDWAALS = -0.4905 EEL = 3.3515 EGB = -3.9039 + 1-4 VDW = 4.6114 1-4 EEL = -8.0838 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 17 -4.2947E+00 3.2542E-01 7.8855E-01 H10 18 + + BOND = 0.1723 ANGLE = 0.0549 DIHED = 0.0003 + VDWAALS = -0.4908 EEL = 3.3533 EGB = -3.9012 + 1-4 VDW = 4.6038 1-4 EEL = -8.0873 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 18 -4.2988E+00 4.0484E-01 7.8613E-01 C6 6 + + BOND = 0.1857 ANGLE = 0.0590 DIHED = 0.0003 + VDWAALS = -0.4923 EEL = 3.3539 EGB = -3.8990 + 1-4 VDW = 4.5811 1-4 EEL = -8.0876 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 19 -4.2997E+00 7.2042E-01 1.8255E+00 C5 5 + + BOND = 0.1817 ANGLE = 0.0563 DIHED = 0.0004 + VDWAALS = -0.4937 EEL = 3.3500 EGB = -3.9052 + 1-4 VDW = 4.5926 1-4 EEL = -8.0818 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 20 -4.2989E+00 9.6345E-01 2.3753E+00 C5 5 + + BOND = 0.1905 ANGLE = 0.0652 DIHED = 0.0004 + VDWAALS = -0.4944 EEL = 3.3532 EGB = -3.9000 + 1-4 VDW = 4.5738 1-4 EEL = -8.0876 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 21 -4.3070E+00 2.4734E-01 5.9876E-01 H10 18 + + BOND = 0.1879 ANGLE = 0.0607 DIHED = 0.0004 + VDWAALS = -0.4947 EEL = 3.3514 EGB = -3.9022 + 1-4 VDW = 4.5736 1-4 EEL = -8.0839 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 22 -4.3101E+00 3.1889E-01 6.5804E-01 C5 5 + + BOND = 0.1873 ANGLE = 0.0608 DIHED = 0.0004 + VDWAALS = -0.4960 EEL = 3.3494 EGB = -3.9051 + 1-4 VDW = 4.5741 1-4 EEL = -8.0811 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 23 -4.3099E+00 6.7845E-01 1.6894E+00 C3 3 + + BOND = 0.1980 ANGLE = 0.0667 DIHED = 0.0004 + VDWAALS = -0.4971 EEL = 3.3509 EGB = -3.9022 + 1-4 VDW = 4.5569 1-4 EEL = -8.0836 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 24 -4.3140E+00 2.1139E-01 4.9374E-01 H10 18 + + BOND = 0.1953 ANGLE = 0.0643 DIHED = 0.0004 + VDWAALS = -0.4973 EEL = 3.3495 EGB = -3.9041 + 1-4 VDW = 4.5589 1-4 EEL = -8.0810 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 25 -4.3161E+00 2.2437E-01 5.0468E-01 H10 18 + + BOND = 0.1928 ANGLE = 0.0644 DIHED = 0.0005 + VDWAALS = -0.4982 EEL = 3.3482 EGB = -3.9063 + 1-4 VDW = 4.5618 1-4 EEL = -8.0792 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 26 -4.3176E+00 3.3919E-01 7.4471E-01 C3 3 + + BOND = 0.2029 ANGLE = 0.0681 DIHED = 0.0005 + VDWAALS = -0.4991 EEL = 3.3489 EGB = -3.9044 + 1-4 VDW = 4.5456 1-4 EEL = -8.0801 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 27 -4.3172E+00 5.8760E-01 1.5290E+00 C5 5 + + BOND = 0.1984 ANGLE = 0.0663 DIHED = 0.0005 + VDWAALS = -0.4999 EEL = 3.3461 EGB = -3.9088 + 1-4 VDW = 4.5559 1-4 EEL = -8.0757 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 28 -4.3203E+00 1.7800E-01 4.3369E-01 H10 18 + + BOND = 0.1983 ANGLE = 0.0674 DIHED = 0.0005 + VDWAALS = -0.5000 EEL = 3.3471 EGB = -3.9073 + 1-4 VDW = 4.5513 1-4 EEL = -8.0776 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 29 -4.3216E+00 1.9895E-01 4.2179E-01 C6 6 + + BOND = 0.2055 ANGLE = 0.0699 DIHED = 0.0005 + VDWAALS = -0.5007 EEL = 3.3474 EGB = -3.9062 + 1-4 VDW = 4.5396 1-4 EEL = -8.0777 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 30 -4.3224E+00 3.0974E-01 7.2769E-01 C5 5 + + BOND = 0.2007 ANGLE = 0.0692 DIHED = 0.0006 + VDWAALS = -0.5014 EEL = 3.3456 EGB = -3.9093 + 1-4 VDW = 4.5476 1-4 EEL = -8.0753 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 31 -4.3221E+00 4.9229E-01 1.2415E+00 C3 3 + + BOND = 0.2112 ANGLE = 0.0732 DIHED = 0.0006 + VDWAALS = -0.5019 EEL = 3.3474 EGB = -3.9060 + 1-4 VDW = 4.5314 1-4 EEL = -8.0780 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 32 -4.3243E+00 1.4583E-01 3.1903E-01 H10 18 + + BOND = 0.2082 ANGLE = 0.0720 DIHED = 0.0006 + VDWAALS = -0.5021 EEL = 3.3463 EGB = -3.9076 + 1-4 VDW = 4.5342 1-4 EEL = -8.0760 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 33 -4.3253E+00 1.6362E-01 3.4466E-01 H10 18 + + BOND = 0.2053 ANGLE = 0.0720 DIHED = 0.0006 + VDWAALS = -0.5027 EEL = 3.3453 EGB = -3.9094 + 1-4 VDW = 4.5384 1-4 EEL = -8.0749 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 34 -4.3259E+00 2.3202E-01 5.6342E-01 C6 6 + + BOND = 0.2152 ANGLE = 0.0751 DIHED = 0.0006 + VDWAALS = -0.5032 EEL = 3.3460 EGB = -3.9075 + 1-4 VDW = 4.5232 1-4 EEL = -8.0754 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 35 -4.3260E+00 3.2726E-01 7.3913E-01 C2 2 + + BOND = 0.2058 ANGLE = 0.0731 DIHED = 0.0006 + VDWAALS = -0.5038 EEL = 3.3440 EGB = -3.9114 + 1-4 VDW = 4.5385 1-4 EEL = -8.0730 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 36 -4.3258E+00 4.5444E-01 1.1603E+00 C5 5 + + BOND = 0.2196 ANGLE = 0.0774 DIHED = 0.0007 + VDWAALS = -0.5041 EEL = 3.3461 EGB = -3.9072 + 1-4 VDW = 4.5176 1-4 EEL = -8.0758 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 37 -4.3278E+00 1.2748E-01 2.7141E-01 C8 8 + + BOND = 0.2147 ANGLE = 0.0762 DIHED = 0.0007 + VDWAALS = -0.5042 EEL = 3.3449 EGB = -3.9091 + 1-4 VDW = 4.5229 1-4 EEL = -8.0739 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 38 -4.3281E+00 2.2447E-01 6.3174E-01 C7 7 + + BOND = 0.2104 ANGLE = 0.0758 DIHED = 0.0007 + VDWAALS = -0.5048 EEL = 3.3442 EGB = -3.9108 + 1-4 VDW = 4.5298 1-4 EEL = -8.0735 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 39 -4.3278E+00 3.6653E-01 8.8484E-01 C1 1 + + BOND = 0.2210 ANGLE = 0.0789 DIHED = 0.0007 + VDWAALS = -0.5051 EEL = 3.3443 EGB = -3.9095 + 1-4 VDW = 4.5142 1-4 EEL = -8.0723 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 40 -4.3291E+00 1.0290E-01 2.1410E-01 H4 12 + + BOND = 0.2171 ANGLE = 0.0781 DIHED = 0.0007 + VDWAALS = -0.5052 EEL = 3.3444 EGB = -3.9098 + 1-4 VDW = 4.5188 1-4 EEL = -8.0731 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 41 -4.3295E+00 1.2764E-01 2.7783E-01 C7 7 + + BOND = 0.2142 ANGLE = 0.0778 DIHED = 0.0007 + VDWAALS = -0.5056 EEL = 3.3437 EGB = -3.9112 + 1-4 VDW = 4.5233 1-4 EEL = -8.0724 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 42 -4.3297E+00 1.8228E-01 4.0579E-01 C8 8 + + BOND = 0.2224 ANGLE = 0.0805 DIHED = 0.0007 + VDWAALS = -0.5060 EEL = 3.3442 EGB = -3.9096 + 1-4 VDW = 4.5107 1-4 EEL = -8.0725 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 43 -4.3297E+00 2.3112E-01 6.2712E-01 C7 7 + + BOND = 0.2139 ANGLE = 0.0785 DIHED = 0.0007 + VDWAALS = -0.5063 EEL = 3.3432 EGB = -3.9122 + 1-4 VDW = 4.5243 1-4 EEL = -8.0719 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 44 -4.3296E+00 3.2095E-01 8.2807E-01 C1 1 + + BOND = 0.2261 ANGLE = 0.0824 DIHED = 0.0007 + VDWAALS = -0.5065 EEL = 3.3438 EGB = -3.9099 + 1-4 VDW = 4.5053 1-4 EEL = -8.0716 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 45 -4.3306E+00 9.3441E-02 2.1937E-01 C6 6 + + BOND = 0.2210 ANGLE = 0.0810 DIHED = 0.0008 + VDWAALS = -0.5067 EEL = 3.3437 EGB = -3.9107 + 1-4 VDW = 4.5123 1-4 EEL = -8.0720 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 46 -4.3307E+00 1.9495E-01 4.9238E-01 C5 5 + + BOND = 0.2183 ANGLE = 0.0809 DIHED = 0.0008 + VDWAALS = -0.5071 EEL = 3.3427 EGB = -3.9124 + 1-4 VDW = 4.5168 1-4 EEL = -8.0707 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 47 -4.3305E+00 2.8267E-01 7.1928E-01 C5 5 + + BOND = 0.2237 ANGLE = 0.0823 DIHED = 0.0008 + VDWAALS = -0.5072 EEL = 3.3438 EGB = -3.9105 + 1-4 VDW = 4.5090 1-4 EEL = -8.0724 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 48 -4.3312E+00 6.8954E-02 1.5410E-01 H4 12 + + BOND = 0.2223 ANGLE = 0.0823 DIHED = 0.0008 + VDWAALS = -0.5073 EEL = 3.3433 EGB = -3.9113 + 1-4 VDW = 4.5102 1-4 EEL = -8.0714 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 49 -4.3314E+00 9.7638E-02 2.2840E-01 C2 2 + + BOND = 0.2207 ANGLE = 0.0823 DIHED = 0.0008 + VDWAALS = -0.5076 EEL = 3.3427 EGB = -3.9123 + 1-4 VDW = 4.5127 1-4 EEL = -8.0707 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 50 -4.3314E+00 1.7583E-01 4.2588E-01 C5 5 + + BOND = 0.2258 ANGLE = 0.0839 DIHED = 0.0008 + VDWAALS = -0.5079 EEL = 3.3434 EGB = -3.9109 + 1-4 VDW = 4.5051 1-4 EEL = -8.0716 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 51 -4.3317E+00 6.1599E-02 1.3514E-01 H4 12 + + BOND = 0.2240 ANGLE = 0.0836 DIHED = 0.0008 + VDWAALS = -0.5079 EEL = 3.3429 EGB = -3.9117 + 1-4 VDW = 4.5074 1-4 EEL = -8.0708 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 52 1.8185E+03 4.5219E+02 1.3697E+03 C1 1 + + BOND = 1589.5399 ANGLE = 107.5496 DIHED = 0.6841 + VDWAALS = -0.4660 EEL = 2.4508 EGB = -7.5429 + 1-4 VDW = 133.4201 1-4 EEL = -7.1097 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 53 -4.3319E+00 9.5641E-02 2.5514E-01 C7 7 + + BOND = 0.2223 ANGLE = 0.0834 DIHED = 0.0008 + VDWAALS = -0.5082 EEL = 3.3426 EGB = -3.9124 + 1-4 VDW = 4.5103 1-4 EEL = -8.0706 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 54 -4.3321E+00 8.7259E-02 1.9377E-01 C7 7 + + BOND = 0.2231 ANGLE = 0.0843 DIHED = 0.0008 + VDWAALS = -0.5087 EEL = 3.3423 EGB = -3.9128 + 1-4 VDW = 4.5090 1-4 EEL = -8.0702 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 55 -4.3327E+00 2.0503E-01 5.2811E-01 C5 5 + + BOND = 0.2268 ANGLE = 0.0882 DIHED = 0.0009 + VDWAALS = -0.5104 EEL = 3.3411 EGB = -3.9143 + 1-4 VDW = 4.5032 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 56 -4.3335E+00 2.2106E-02 5.5191E-02 H8 16 + + BOND = 0.2354 ANGLE = 0.0941 DIHED = 0.0010 + VDWAALS = -0.5126 EEL = 3.3408 EGB = -3.9144 + 1-4 VDW = 4.4900 1-4 EEL = -8.0676 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 57 -4.3335E+00 2.2235E-02 5.5883E-02 H8 16 + + BOND = 0.2355 ANGLE = 0.0941 DIHED = 0.0010 + VDWAALS = -0.5126 EEL = 3.3408 EGB = -3.9144 + 1-4 VDW = 4.4898 1-4 EEL = -8.0676 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 58 -4.3335E+00 2.1695E-02 5.4536E-02 H8 16 + + BOND = 0.2354 ANGLE = 0.0942 DIHED = 0.0010 + VDWAALS = -0.5126 EEL = 3.3408 EGB = -3.9143 + 1-4 VDW = 4.4899 1-4 EEL = -8.0677 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 59 -4.3336E+00 2.8710E-02 6.5390E-02 C5 5 + + BOND = 0.2348 ANGLE = 0.0945 DIHED = 0.0010 + VDWAALS = -0.5131 EEL = 3.3409 EGB = -3.9143 + 1-4 VDW = 4.4904 1-4 EEL = -8.0678 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 60 -4.3337E+00 7.6870E-02 2.0975E-01 C2 2 + + BOND = 0.2334 ANGLE = 0.0955 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3410 EGB = -3.9140 + 1-4 VDW = 4.4916 1-4 EEL = -8.0681 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 61 -4.3331E+00 2.6760E-01 7.2128E-01 C5 5 + + BOND = 0.2338 ANGLE = 0.0967 DIHED = 0.0009 + VDWAALS = -0.5152 EEL = 3.3422 EGB = -3.9125 + 1-4 VDW = 4.4913 1-4 EEL = -8.0702 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 62 -4.3338E+00 1.7300E-02 4.3172E-02 C1 1 + + BOND = 0.2334 ANGLE = 0.0957 DIHED = 0.0009 + VDWAALS = -0.5143 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4915 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 63 -4.3338E+00 1.2585E-02 3.0395E-02 H5 13 + + BOND = 0.2331 ANGLE = 0.0957 DIHED = 0.0009 + VDWAALS = -0.5143 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4918 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 64 -4.3338E+00 1.9646E-02 7.3610E-02 C2 2 + + BOND = 0.2328 ANGLE = 0.0956 DIHED = 0.0009 + VDWAALS = -0.5143 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4922 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 65 -4.3338E+00 1.5865E-02 3.8118E-02 C4 4 + + BOND = 0.2321 ANGLE = 0.0954 DIHED = 0.0009 + VDWAALS = -0.5143 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4930 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 66 -4.3338E+00 2.7968E-02 8.0400E-02 C4 4 + + BOND = 0.2310 ANGLE = 0.0950 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3414 EGB = -3.9136 + 1-4 VDW = 4.4944 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 67 -4.3339E+00 2.3465E-02 7.3248E-02 C6 6 + + BOND = 0.2304 ANGLE = 0.0941 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4955 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 68 -4.3339E+00 1.9753E-02 5.4172E-02 C6 6 + + BOND = 0.2304 ANGLE = 0.0943 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4954 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 69 -4.3339E+00 1.7875E-02 4.1894E-02 C6 6 + + BOND = 0.2303 ANGLE = 0.0939 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 70 -4.3339E+00 1.6047E-02 3.5218E-02 C6 6 + + BOND = 0.2303 ANGLE = 0.0939 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 71 -4.3339E+00 1.1873E-02 2.9299E-02 H9 17 + + BOND = 0.2303 ANGLE = 0.0939 DIHED = 0.0009 + VDWAALS = -0.5139 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 72 -4.3339E+00 1.5941E-02 3.9650E-02 H9 17 + + BOND = 0.2304 ANGLE = 0.0939 DIHED = 0.0009 + VDWAALS = -0.5139 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 73 -4.3339E+00 1.7581E-02 5.8571E-02 C3 3 + + BOND = 0.2302 ANGLE = 0.0941 DIHED = 0.0009 + VDWAALS = -0.5140 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4959 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 74 -4.3339E+00 5.5281E-02 2.2002E-01 C3 3 + + BOND = 0.2295 ANGLE = 0.0947 DIHED = 0.0009 + VDWAALS = -0.5141 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 75 -4.3340E+00 4.8601E-02 1.8232E-01 C3 3 + + BOND = 0.2290 ANGLE = 0.0952 DIHED = 0.0009 + VDWAALS = -0.5143 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4964 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 76 -4.3339E+00 1.2727E-01 4.6379E-01 C3 3 + + BOND = 0.2315 ANGLE = 0.0938 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3418 EGB = -3.9128 + 1-4 VDW = 4.4943 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 77 -4.3340E+00 3.4778E-02 1.1521E-01 C2 2 + + BOND = 0.2308 ANGLE = 0.0941 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3417 EGB = -3.9130 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 78 -4.3340E+00 6.4837E-02 1.9658E-01 C2 2 + + BOND = 0.2297 ANGLE = 0.0948 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3415 EGB = -3.9136 + 1-4 VDW = 4.4960 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 79 -4.3340E+00 1.5917E-02 5.5394E-02 C3 3 + + BOND = 0.2302 ANGLE = 0.0946 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4954 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 80 5.2527E+04 2.5373E+03 9.5380E+03 C3 3 + + BOND = 49585.4679 ANGLE = 2437.9162 DIHED = 70.8982 + VDWAALS = 115.2944 EEL = 5.3390 EGB = -5.5167 + 1-4 VDW = 324.2622 1-4 EEL = -7.0451 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 81 -4.3341E+00 1.4257E-02 4.5471E-02 C3 3 + + BOND = 0.2308 ANGLE = 0.0943 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 82 -4.3341E+00 9.7940E-03 2.2293E-02 C6 6 + + BOND = 0.2306 ANGLE = 0.0944 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4950 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 83 -4.3341E+00 9.4009E-03 2.8290E-02 C2 2 + + BOND = 0.2308 ANGLE = 0.0943 DIHED = 0.0009 + VDWAALS = -0.5142 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4949 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 84 -4.3341E+00 2.0820E-02 7.1390E-02 C2 2 + + BOND = 0.2312 ANGLE = 0.0941 DIHED = 0.0009 + VDWAALS = -0.5141 EEL = 3.3417 EGB = -3.9132 + 1-4 VDW = 4.4946 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 85 -4.3341E+00 1.9033E-02 5.8781E-02 C6 6 + + BOND = 0.2314 ANGLE = 0.0940 DIHED = 0.0009 + VDWAALS = -0.5141 EEL = 3.3416 EGB = -3.9132 + 1-4 VDW = 4.4944 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 86 -4.3341E+00 4.5124E-02 1.8863E-01 C5 5 + + BOND = 0.2332 ANGLE = 0.0935 DIHED = 0.0009 + VDWAALS = -0.5139 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4929 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 87 -4.3342E+00 2.0242E-02 6.2336E-02 C5 5 + + BOND = 0.2341 ANGLE = 0.0935 DIHED = 0.0009 + VDWAALS = -0.5137 EEL = 3.3414 EGB = -3.9138 + 1-4 VDW = 4.4920 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 88 -4.3342E+00 1.9268E-02 5.0973E-02 H3 11 + + BOND = 0.2346 ANGLE = 0.0936 DIHED = 0.0010 + VDWAALS = -0.5136 EEL = 3.3413 EGB = -3.9141 + 1-4 VDW = 4.4915 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 89 -4.3342E+00 1.4280E-02 2.9615E-02 H4 12 + + BOND = 0.2344 ANGLE = 0.0937 DIHED = 0.0010 + VDWAALS = -0.5136 EEL = 3.3413 EGB = -3.9140 + 1-4 VDW = 4.4915 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 90 -4.3342E+00 2.1261E-02 5.1873E-02 C7 7 + + BOND = 0.2342 ANGLE = 0.0939 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3413 EGB = -3.9140 + 1-4 VDW = 4.4915 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 91 -4.3342E+00 4.5317E-02 1.3768E-01 C2 2 + + BOND = 0.2323 ANGLE = 0.0942 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9137 + 1-4 VDW = 4.4927 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 92 -4.3342E+00 2.3889E-02 6.2666E-02 C2 2 + + BOND = 0.2331 ANGLE = 0.0941 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9139 + 1-4 VDW = 4.4922 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 93 -4.3342E+00 1.9217E-02 4.2985E-02 H4 12 + + BOND = 0.2319 ANGLE = 0.0942 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9137 + 1-4 VDW = 4.4932 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 94 -4.3342E+00 2.9271E-02 8.0901E-02 C8 8 + + BOND = 0.2309 ANGLE = 0.0943 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9136 + 1-4 VDW = 4.4940 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 95 -4.3343E+00 3.1895E-02 5.8749E-02 C6 6 + + BOND = 0.2296 ANGLE = 0.0942 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9134 + 1-4 VDW = 4.4952 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 96 -4.3343E+00 3.9846E-02 7.3577E-02 C6 6 + + BOND = 0.2292 ANGLE = 0.0942 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3412 EGB = -3.9134 + 1-4 VDW = 4.4955 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 97 -4.3343E+00 3.4875E-02 9.8321E-02 C4 4 + + BOND = 0.2289 ANGLE = 0.0938 DIHED = 0.0010 + VDWAALS = -0.5134 EEL = 3.3412 EGB = -3.9133 + 1-4 VDW = 4.4960 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 98 -4.3344E+00 6.2675E-02 1.8006E-01 C5 5 + + BOND = 0.2285 ANGLE = 0.0931 DIHED = 0.0010 + VDWAALS = -0.5132 EEL = 3.3412 EGB = -3.9131 + 1-4 VDW = 4.4967 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 99 -4.3345E+00 3.1678E-02 6.8800E-02 H8 16 + + BOND = 0.2289 ANGLE = 0.0917 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3414 EGB = -3.9129 + 1-4 VDW = 4.4972 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 100 -4.3345E+00 3.5468E-02 8.6761E-02 H5 13 + + BOND = 0.2292 ANGLE = 0.0910 DIHED = 0.0009 + VDWAALS = -0.5127 EEL = 3.3415 EGB = -3.9128 + 1-4 VDW = 4.4974 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 101 -4.3341E+00 2.1966E-01 6.3582E-01 C2 2 + + BOND = 0.2304 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5128 EEL = 3.3414 EGB = -3.9136 + 1-4 VDW = 4.4954 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 102 -4.3345E+00 9.9154E-02 2.9826E-01 C5 5 + + BOND = 0.2298 ANGLE = 0.0913 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4972 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 103 -4.3340E+00 2.7559E-01 7.5219E-01 C5 5 + + BOND = 0.2310 ANGLE = 0.0921 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3412 EGB = -3.9138 + 1-4 VDW = 4.4954 1-4 EEL = -8.0681 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 104 -4.3346E+00 7.8258E-02 2.3435E-01 C5 5 + + BOND = 0.2306 ANGLE = 0.0915 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3415 EGB = -3.9135 + 1-4 VDW = 4.4960 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 105 3.6814E+03 8.2783E+02 2.7621E+03 C7 7 + + BOND = 2524.4330 ANGLE = 690.7186 DIHED = 0.7847 + VDWAALS = -0.5528 EEL = 4.3610 EGB = -3.3117 + 1-4 VDW = 475.7461 1-4 EEL = -10.7685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 106 -4.3346E+00 5.2309E-02 1.3330E-01 C2 2 + + BOND = 0.2306 ANGLE = 0.0912 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4963 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 107 -4.3347E+00 1.8374E-02 4.2154E-02 C6 6 + + BOND = 0.2306 ANGLE = 0.0913 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 108 -4.3347E+00 1.5301E-02 3.5574E-02 H4 12 + + BOND = 0.2306 ANGLE = 0.0913 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 109 -4.3347E+00 2.1822E-02 5.0495E-02 H7 15 + + BOND = 0.2307 ANGLE = 0.0913 DIHED = 0.0010 + VDWAALS = -0.5129 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4961 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 110 -4.3347E+00 1.9370E-02 4.8098E-02 C2 2 + + BOND = 0.2309 ANGLE = 0.0913 DIHED = 0.0010 + VDWAALS = -0.5130 EEL = 3.3416 EGB = -3.9134 + 1-4 VDW = 4.4958 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 111 -4.3347E+00 3.8777E-02 1.0491E-01 C2 2 + + BOND = 0.2314 ANGLE = 0.0914 DIHED = 0.0010 + VDWAALS = -0.5132 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4953 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 112 -4.3348E+00 3.6120E-02 7.7021E-02 H3 11 + + BOND = 0.2319 ANGLE = 0.0918 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3416 EGB = -3.9132 + 1-4 VDW = 4.4947 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 113 -4.3348E+00 2.9326E-02 6.7997E-02 H3 11 + + BOND = 0.2318 ANGLE = 0.0917 DIHED = 0.0010 + VDWAALS = -0.5135 EEL = 3.3416 EGB = -3.9132 + 1-4 VDW = 4.4948 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 114 -4.3348E+00 2.5023E-02 5.7568E-02 C7 7 + + BOND = 0.2316 ANGLE = 0.0923 DIHED = 0.0010 + VDWAALS = -0.5137 EEL = 3.3415 EGB = -3.9132 + 1-4 VDW = 4.4946 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 115 -4.3348E+00 3.9671E-02 1.2514E-01 C8 8 + + BOND = 0.2315 ANGLE = 0.0927 DIHED = 0.0010 + VDWAALS = -0.5139 EEL = 3.3415 EGB = -3.9133 + 1-4 VDW = 4.4945 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 116 -4.3349E+00 2.7070E-02 9.4417E-02 C1 1 + + BOND = 0.2310 ANGLE = 0.0940 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3414 EGB = -3.9134 + 1-4 VDW = 4.4943 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 117 -4.3349E+00 3.0488E-02 1.1576E-01 C1 1 + + BOND = 0.2310 ANGLE = 0.0941 DIHED = 0.0011 + VDWAALS = -0.5145 EEL = 3.3414 EGB = -3.9134 + 1-4 VDW = 4.4943 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 118 -4.3348E+00 4.5809E-02 1.5923E-01 C1 1 + + BOND = 0.2314 ANGLE = 0.0947 DIHED = 0.0011 + VDWAALS = -0.5148 EEL = 3.3414 EGB = -3.9135 + 1-4 VDW = 4.4937 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 119 -4.3349E+00 1.4411E-02 4.2609E-02 H4 12 + + BOND = 0.2312 ANGLE = 0.0944 DIHED = 0.0011 + VDWAALS = -0.5146 EEL = 3.3414 EGB = -3.9135 + 1-4 VDW = 4.4940 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 120 -4.3349E+00 1.2900E-02 3.7060E-02 H10 18 + + BOND = 0.2314 ANGLE = 0.0944 DIHED = 0.0011 + VDWAALS = -0.5146 EEL = 3.3414 EGB = -3.9135 + 1-4 VDW = 4.4938 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 121 -4.3349E+00 2.2818E-02 9.6822E-02 C5 5 + + BOND = 0.2333 ANGLE = 0.0943 DIHED = 0.0010 + VDWAALS = -0.5147 EEL = 3.3414 EGB = -3.9138 + 1-4 VDW = 4.4922 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 122 -4.3349E+00 7.3022E-02 2.7967E-01 C7 7 + + BOND = 0.2343 ANGLE = 0.0943 DIHED = 0.0010 + VDWAALS = -0.5148 EEL = 3.3414 EGB = -3.9142 + 1-4 VDW = 4.4918 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 123 -4.3349E+00 1.4569E-02 3.8876E-02 C2 2 + + BOND = 0.2335 ANGLE = 0.0943 DIHED = 0.0010 + VDWAALS = -0.5147 EEL = 3.3414 EGB = -3.9139 + 1-4 VDW = 4.4921 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 124 -4.3349E+00 1.2780E-02 2.9750E-02 H10 18 + + BOND = 0.2334 ANGLE = 0.0943 DIHED = 0.0010 + VDWAALS = -0.5147 EEL = 3.3414 EGB = -3.9139 + 1-4 VDW = 4.4923 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 125 -4.3349E+00 2.4993E-02 6.7731E-02 C6 6 + + BOND = 0.2328 ANGLE = 0.0944 DIHED = 0.0010 + VDWAALS = -0.5148 EEL = 3.3414 EGB = -3.9141 + 1-4 VDW = 4.4932 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 126 -4.3260E+00 7.9724E-01 2.9743E+00 C6 6 + + BOND = 0.2551 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5146 EEL = 3.3448 EGB = -3.9033 + 1-4 VDW = 4.4697 1-4 EEL = -8.0707 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 127 -4.3332E+00 3.1517E-01 9.5008E-01 C5 5 + + BOND = 0.2341 ANGLE = 0.0924 DIHED = 0.0011 + VDWAALS = -0.5147 EEL = 3.3428 EGB = -3.9085 + 1-4 VDW = 4.4892 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 128 -4.3342E+00 2.3185E-01 6.9412E-01 C6 6 + + BOND = 0.2181 ANGLE = 0.0947 DIHED = 0.0011 + VDWAALS = -0.5148 EEL = 3.3406 EGB = -3.9152 + 1-4 VDW = 4.5100 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 129 -4.3319E+00 4.8801E-01 1.3814E+00 C5 5 + + BOND = 0.2489 ANGLE = 0.0941 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3436 EGB = -3.9080 + 1-4 VDW = 4.4733 1-4 EEL = -8.0704 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 130 7.6580E+01 8.0491E+01 2.2773E+02 C5 5 + + BOND = 73.7735 ANGLE = 1.9731 DIHED = 0.0018 + VDWAALS = -0.5374 EEL = 3.0421 EGB = -4.7166 + 1-4 VDW = 10.8922 1-4 EEL = -7.8484 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 131 -4.3349E+00 5.6542E-02 1.7237E-01 C2 2 + + BOND = 0.2306 ANGLE = 0.0928 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3417 EGB = -3.9127 + 1-4 VDW = 4.4953 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 132 -4.3350E+00 2.3827E-02 7.2683E-02 C1 1 + + BOND = 0.2298 ANGLE = 0.0934 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9131 + 1-4 VDW = 4.4959 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 133 -4.3350E+00 2.2030E-02 5.8592E-02 C1 1 + + BOND = 0.2298 ANGLE = 0.0934 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9131 + 1-4 VDW = 4.4959 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 134 -4.3350E+00 1.1489E-02 2.2794E-02 H4 12 + + BOND = 0.2299 ANGLE = 0.0936 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9132 + 1-4 VDW = 4.4957 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 135 -4.3350E+00 1.3301E-02 4.0484E-02 C3 3 + + BOND = 0.2299 ANGLE = 0.0937 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9132 + 1-4 VDW = 4.4957 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 136 -4.3350E+00 1.1083E-02 2.2981E-02 C3 3 + + BOND = 0.2302 ANGLE = 0.0936 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9133 + 1-4 VDW = 4.4954 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 137 -4.3350E+00 1.8400E-02 4.4053E-02 C6 6 + + BOND = 0.2314 ANGLE = 0.0934 DIHED = 0.0010 + VDWAALS = -0.5145 EEL = 3.3416 EGB = -3.9135 + 1-4 VDW = 4.4945 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 138 -4.3350E+00 2.8078E-02 8.9605E-02 C6 6 + + BOND = 0.2329 ANGLE = 0.0930 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9137 + 1-4 VDW = 4.4935 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 139 -4.3350E+00 1.0340E-02 2.4644E-02 C6 6 + + BOND = 0.2321 ANGLE = 0.0932 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4940 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 140 -4.3350E+00 9.2353E-03 2.4507E-02 C5 5 + + BOND = 0.2322 ANGLE = 0.0932 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4940 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 141 -4.3350E+00 1.8756E-02 6.4856E-02 C5 5 + + BOND = 0.2323 ANGLE = 0.0933 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4938 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 142 -4.3350E+00 1.5252E-02 3.9829E-02 C3 3 + + BOND = 0.2322 ANGLE = 0.0934 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4938 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 143 -4.3350E+00 2.5817E-02 5.5684E-02 H7 15 + + BOND = 0.2321 ANGLE = 0.0936 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9137 + 1-4 VDW = 4.4938 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 144 -4.3351E+00 2.1687E-02 5.5078E-02 H9 17 + + BOND = 0.2316 ANGLE = 0.0937 DIHED = 0.0010 + VDWAALS = -0.5144 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4941 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 145 -4.3351E+00 3.9875E-02 9.9819E-02 C4 4 + + BOND = 0.2303 ANGLE = 0.0939 DIHED = 0.0011 + VDWAALS = -0.5144 EEL = 3.3415 EGB = -3.9134 + 1-4 VDW = 4.4949 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 146 -4.3352E+00 3.6221E-02 8.4693E-02 C7 7 + + BOND = 0.2287 ANGLE = 0.0940 DIHED = 0.0011 + VDWAALS = -0.5144 EEL = 3.3414 EGB = -3.9132 + 1-4 VDW = 4.4960 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 147 -4.3352E+00 5.7143E-02 1.6399E-01 C7 7 + + BOND = 0.2275 ANGLE = 0.0942 DIHED = 0.0011 + VDWAALS = -0.5144 EEL = 3.3413 EGB = -3.9131 + 1-4 VDW = 4.4969 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 148 -4.3353E+00 6.8119E-02 1.5688E-01 C7 7 + + BOND = 0.2272 ANGLE = 0.0940 DIHED = 0.0011 + VDWAALS = -0.5142 EEL = 3.3412 EGB = -3.9130 + 1-4 VDW = 4.4969 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 149 -4.3353E+00 7.5860E-02 1.8540E-01 C7 7 + + BOND = 0.2271 ANGLE = 0.0940 DIHED = 0.0011 + VDWAALS = -0.5142 EEL = 3.3412 EGB = -3.9130 + 1-4 VDW = 4.4969 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 150 -4.3355E+00 5.8368E-02 1.1955E-01 C6 6 + + BOND = 0.2284 ANGLE = 0.0932 DIHED = 0.0011 + VDWAALS = -0.5140 EEL = 3.3411 EGB = -3.9131 + 1-4 VDW = 4.4961 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 151 -4.3354E+00 1.2620E-01 3.4043E-01 C6 6 + + BOND = 0.2327 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9135 + 1-4 VDW = 4.4933 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 152 -4.3356E+00 3.1800E-02 8.1706E-02 C4 4 + + BOND = 0.2323 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9135 + 1-4 VDW = 4.4934 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 153 -4.3356E+00 7.0483E-02 2.1676E-01 C4 4 + + BOND = 0.2313 ANGLE = 0.0922 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3412 EGB = -3.9138 + 1-4 VDW = 4.4947 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 154 -4.3357E+00 2.6570E-02 7.0966E-02 C1 1 + + BOND = 0.2319 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9136 + 1-4 VDW = 4.4941 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 155 1.7176E+05 3.1722E+05 1.3148E+06 C3 3 + + BOND = 18467.6474 ANGLE = 1821.1310 DIHED = 75.7801 + VDWAALS = 366.8048 EEL = 3.1866 EGB = -6.0587 + 1-4 VDW = 151041.4751 1-4 EEL = -5.4491 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 156 -4.3357E+00 2.0456E-02 4.4985E-02 C1 1 + + BOND = 0.2319 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4941 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 157 -4.3357E+00 2.1047E-02 4.2476E-02 C1 1 + + BOND = 0.2320 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4940 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 158 -4.3357E+00 1.6891E-02 3.9955E-02 H3 11 + + BOND = 0.2322 ANGLE = 0.0919 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3413 EGB = -3.9137 + 1-4 VDW = 4.4939 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 159 -4.3357E+00 2.8046E-02 7.1228E-02 C6 6 + + BOND = 0.2325 ANGLE = 0.0918 DIHED = 0.0011 + VDWAALS = -0.5139 EEL = 3.3414 EGB = -3.9137 + 1-4 VDW = 4.4938 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 160 -4.3357E+00 2.3160E-02 6.2253E-02 C4 4 + + BOND = 0.2327 ANGLE = 0.0916 DIHED = 0.0011 + VDWAALS = -0.5140 EEL = 3.3415 EGB = -3.9137 + 1-4 VDW = 4.4939 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 161 -4.3357E+00 3.7872E-02 1.3304E-01 C7 7 + + BOND = 0.2328 ANGLE = 0.0915 DIHED = 0.0011 + VDWAALS = -0.5140 EEL = 3.3415 EGB = -3.9137 + 1-4 VDW = 4.4939 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 162 -4.3358E+00 2.3198E-02 5.5087E-02 H7 15 + + BOND = 0.2324 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5141 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 163 -4.3358E+00 2.6937E-02 6.0175E-02 H7 15 + + BOND = 0.2323 ANGLE = 0.0910 DIHED = 0.0011 + VDWAALS = -0.5141 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4950 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 164 -4.3358E+00 2.7914E-02 7.6171E-02 C6 6 + + BOND = 0.2313 ANGLE = 0.0910 DIHED = 0.0011 + VDWAALS = -0.5142 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 165 -4.3358E+00 2.4584E-02 6.4380E-02 C6 6 + + BOND = 0.2314 ANGLE = 0.0910 DIHED = 0.0011 + VDWAALS = -0.5142 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4959 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 166 -4.3358E+00 2.6362E-02 5.5699E-02 C1 1 + + BOND = 0.2307 ANGLE = 0.0910 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4965 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 167 -4.3358E+00 2.5751E-02 5.3915E-02 C1 1 + + BOND = 0.2308 ANGLE = 0.0910 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4965 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 168 -4.3359E+00 2.3592E-02 6.9192E-02 C3 3 + + BOND = 0.2302 ANGLE = 0.0913 DIHED = 0.0011 + VDWAALS = -0.5145 EEL = 3.3418 EGB = -3.9133 + 1-4 VDW = 4.4967 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 169 -4.3359E+00 4.3415E-02 1.7303E-01 C3 3 + + BOND = 0.2296 ANGLE = 0.0917 DIHED = 0.0011 + VDWAALS = -0.5147 EEL = 3.3418 EGB = -3.9132 + 1-4 VDW = 4.4971 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 170 -4.3359E+00 1.4429E-02 5.0737E-02 C3 3 + + BOND = 0.2289 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5150 EEL = 3.3418 EGB = -3.9130 + 1-4 VDW = 4.4974 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 171 -4.3359E+00 1.2988E-02 3.4357E-02 C3 3 + + BOND = 0.2289 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5150 EEL = 3.3418 EGB = -3.9130 + 1-4 VDW = 4.4974 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 172 -4.3359E+00 1.2740E-02 3.1818E-02 H9 17 + + BOND = 0.2293 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5150 EEL = 3.3418 EGB = -3.9130 + 1-4 VDW = 4.4970 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 173 -4.3359E+00 2.4021E-02 8.4099E-02 C5 5 + + BOND = 0.2298 ANGLE = 0.0924 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3418 EGB = -3.9130 + 1-4 VDW = 4.4965 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 174 -4.3359E+00 1.6981E-02 5.2776E-02 C5 5 + + BOND = 0.2305 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3418 EGB = -3.9131 + 1-4 VDW = 4.4958 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 175 -4.3359E+00 2.2361E-02 5.3770E-02 C2 2 + + BOND = 0.2317 ANGLE = 0.0928 DIHED = 0.0011 + VDWAALS = -0.5153 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4946 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 176 -4.3341E+00 3.8554E-01 1.0551E+00 C7 7 + + BOND = 0.2233 ANGLE = 0.0984 DIHED = 0.0010 + VDWAALS = -0.5153 EEL = 3.3407 EGB = -3.9156 + 1-4 VDW = 4.5021 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 177 -4.3356E+00 1.4602E-01 4.2987E-01 C4 4 + + BOND = 0.2256 ANGLE = 0.0954 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3413 EGB = -3.9144 + 1-4 VDW = 4.4999 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 178 -4.3359E+00 8.2270E-02 2.3294E-01 C4 4 + + BOND = 0.2318 ANGLE = 0.0913 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3420 EGB = -3.9125 + 1-4 VDW = 4.4949 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 179 -4.3353E+00 2.3694E-01 6.9369E-01 C7 7 + + BOND = 0.2275 ANGLE = 0.0961 DIHED = 0.0011 + VDWAALS = -0.5153 EEL = 3.3412 EGB = -3.9146 + 1-4 VDW = 4.4977 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 180 3.7209E+02 1.8857E+02 7.0755E+02 C7 7 + + BOND = 316.6277 ANGLE = 57.5241 DIHED = 0.0752 + VDWAALS = -0.4836 EEL = 3.6479 EGB = -3.2787 + 1-4 VDW = 6.2170 1-4 EEL = -8.2355 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 181 -4.3359E+00 7.2868E-02 2.8716E-01 C5 5 + + BOND = 0.2292 ANGLE = 0.0936 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3416 EGB = -3.9137 + 1-4 VDW = 4.4968 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 182 -4.3360E+00 1.2983E-02 4.5726E-02 C6 6 + + BOND = 0.2305 ANGLE = 0.0927 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4957 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 183 -4.3360E+00 1.2844E-02 4.4843E-02 C6 6 + + BOND = 0.2305 ANGLE = 0.0928 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4957 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 184 -4.3360E+00 7.4495E-03 2.0319E-02 H5 13 + + BOND = 0.2307 ANGLE = 0.0927 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4955 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 185 -4.3360E+00 8.9498E-03 2.2784E-02 C3 3 + + BOND = 0.2308 ANGLE = 0.0927 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4954 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 186 -4.3360E+00 8.5093E-03 2.3825E-02 C5 5 + + BOND = 0.2309 ANGLE = 0.0927 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4952 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 187 -4.3360E+00 2.5192E-02 7.3679E-02 C1 1 + + BOND = 0.2316 ANGLE = 0.0928 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4944 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 188 -4.3360E+00 2.1307E-02 5.5786E-02 C5 5 + + BOND = 0.2320 ANGLE = 0.0928 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3416 EGB = -3.9135 + 1-4 VDW = 4.4941 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 189 -4.3360E+00 3.3287E-02 9.4611E-02 H7 15 + + BOND = 0.2340 ANGLE = 0.0929 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3414 EGB = -3.9140 + 1-4 VDW = 4.4924 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 190 -4.3361E+00 4.3844E-02 1.0838E-01 C1 1 + + BOND = 0.2350 ANGLE = 0.0931 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3411 EGB = -3.9147 + 1-4 VDW = 4.4916 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 191 -4.3361E+00 3.1862E-02 8.7600E-02 H7 15 + + BOND = 0.2347 ANGLE = 0.0931 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3412 EGB = -3.9145 + 1-4 VDW = 4.4918 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 192 -4.3361E+00 2.6374E-02 7.7194E-02 C6 6 + + BOND = 0.2354 ANGLE = 0.0930 DIHED = 0.0011 + VDWAALS = -0.5150 EEL = 3.3412 EGB = -3.9144 + 1-4 VDW = 4.4909 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 193 -4.3361E+00 3.9073E-02 1.2195E-01 C6 6 + + BOND = 0.2359 ANGLE = 0.0929 DIHED = 0.0011 + VDWAALS = -0.5149 EEL = 3.3412 EGB = -3.9143 + 1-4 VDW = 4.4903 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 194 -4.3362E+00 3.2026E-02 6.7750E-02 C1 1 + + BOND = 0.2349 ANGLE = 0.0926 DIHED = 0.0011 + VDWAALS = -0.5147 EEL = 3.3412 EGB = -3.9141 + 1-4 VDW = 4.4911 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 195 -4.3362E+00 4.5260E-02 1.1883E-01 C1 1 + + BOND = 0.2343 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5146 EEL = 3.3411 EGB = -3.9140 + 1-4 VDW = 4.4916 1-4 EEL = -8.0682 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 196 -4.3363E+00 6.5560E-02 1.9663E-01 C2 2 + + BOND = 0.2312 ANGLE = 0.0918 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3412 EGB = -3.9135 + 1-4 VDW = 4.4947 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 197 -4.3363E+00 3.9483E-02 1.1997E-01 C2 2 + + BOND = 0.2323 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5144 EEL = 3.3412 EGB = -3.9137 + 1-4 VDW = 4.4936 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 198 -4.3363E+00 4.2019E-02 8.6097E-02 C2 2 + + BOND = 0.2311 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5142 EEL = 3.3412 EGB = -3.9135 + 1-4 VDW = 4.4944 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 199 -4.3363E+00 2.7049E-02 6.3114E-02 H8 16 + + BOND = 0.2314 ANGLE = 0.0919 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3412 EGB = -3.9135 + 1-4 VDW = 4.4942 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 200 -4.3363E+00 2.2738E-02 7.4685E-02 H1 9 + + BOND = 0.2315 ANGLE = 0.0917 DIHED = 0.0011 + VDWAALS = -0.5142 EEL = 3.3412 EGB = -3.9135 + 1-4 VDW = 4.4942 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 201 -4.3363E+00 1.0681E-01 2.6840E-01 C2 2 + + BOND = 0.2335 ANGLE = 0.0907 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3414 EGB = -3.9140 + 1-4 VDW = 4.4940 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 202 -4.3364E+00 7.2833E-02 1.8919E-01 C1 1 + + BOND = 0.2337 ANGLE = 0.0913 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3413 EGB = -3.9140 + 1-4 VDW = 4.4928 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 203 -4.3362E+00 1.5005E-01 3.5423E-01 C2 2 + + BOND = 0.2331 ANGLE = 0.0909 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3415 EGB = -3.9138 + 1-4 VDW = 4.4940 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 204 -4.3364E+00 3.7617E-02 9.2776E-02 C2 2 + + BOND = 0.2329 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3414 EGB = -3.9138 + 1-4 VDW = 4.4938 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 205 6.6725E+05 1.5719E+06 7.3789E+06 C5 5 + + BOND = 10783.7973 ANGLE = 2075.2886 DIHED = 0.9400 + VDWAALS = 5.6724 EEL = 2.1927 EGB = -2.8799 + 1-4 VDW = 654393.0939 1-4 EEL = -3.6974 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 206 3.7121E+03 8.0173E+02 2.4829E+03 C5 5 + + BOND = 2598.2347 ANGLE = 682.1142 DIHED = 0.3556 + VDWAALS = -0.2131 EEL = 2.7765 EGB = -3.8204 + 1-4 VDW = 439.0459 1-4 EEL = -6.4174 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 207 -4.3364E+00 2.7216E-02 5.6014E-02 C1 1 + + BOND = 0.2329 ANGLE = 0.0912 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3414 EGB = -3.9139 + 1-4 VDW = 4.4936 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 208 -4.3364E+00 1.4233E-02 4.1795E-02 H3 11 + + BOND = 0.2329 ANGLE = 0.0912 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3414 EGB = -3.9139 + 1-4 VDW = 4.4937 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 209 -4.3364E+00 1.3942E-02 4.1225E-02 H3 11 + + BOND = 0.2328 ANGLE = 0.0912 DIHED = 0.0011 + VDWAALS = -0.5143 EEL = 3.3414 EGB = -3.9138 + 1-4 VDW = 4.4937 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 210 -4.3365E+00 1.6436E-02 3.5942E-02 H3 11 + + BOND = 0.2323 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5144 EEL = 3.3415 EGB = -3.9136 + 1-4 VDW = 4.4942 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 211 -4.3365E+00 5.0205E-02 1.1782E-01 C1 1 + + BOND = 0.2303 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5146 EEL = 3.3418 EGB = -3.9129 + 1-4 VDW = 4.4958 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 212 -4.3366E+00 4.4898E-02 1.1403E-01 C3 3 + + BOND = 0.2266 ANGLE = 0.0907 DIHED = 0.0011 + VDWAALS = -0.5149 EEL = 3.3419 EGB = -3.9126 + 1-4 VDW = 4.5002 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 213 -4.3366E+00 3.0859E-02 8.3689E-02 H6 14 + + BOND = 0.2275 ANGLE = 0.0908 DIHED = 0.0011 + VDWAALS = -0.5148 EEL = 3.3419 EGB = -3.9127 + 1-4 VDW = 4.4991 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 214 -4.3366E+00 2.0288E-02 5.7395E-02 C5 5 + + BOND = 0.2275 ANGLE = 0.0908 DIHED = 0.0011 + VDWAALS = -0.5149 EEL = 3.3419 EGB = -3.9127 + 1-4 VDW = 4.4993 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 215 -4.3366E+00 2.5027E-02 9.5890E-02 C5 5 + + BOND = 0.2274 ANGLE = 0.0908 DIHED = 0.0011 + VDWAALS = -0.5150 EEL = 3.3419 EGB = -3.9128 + 1-4 VDW = 4.4994 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 216 -4.3366E+00 2.9266E-02 1.1692E-01 C7 7 + + BOND = 0.2291 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3420 EGB = -3.9128 + 1-4 VDW = 4.4975 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 217 -4.3366E+00 2.4073E-02 9.3749E-02 C7 7 + + BOND = 0.2288 ANGLE = 0.0911 DIHED = 0.0011 + VDWAALS = -0.5151 EEL = 3.3420 EGB = -3.9128 + 1-4 VDW = 4.4978 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 218 -4.3366E+00 2.1426E-02 5.4318E-02 C1 1 + + BOND = 0.2300 ANGLE = 0.0912 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3420 EGB = -3.9130 + 1-4 VDW = 4.4969 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 219 -4.3366E+00 2.3691E-02 6.2910E-02 C1 1 + + BOND = 0.2301 ANGLE = 0.0913 DIHED = 0.0011 + VDWAALS = -0.5152 EEL = 3.3420 EGB = -3.9131 + 1-4 VDW = 4.4967 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 220 -4.3366E+00 2.3121E-02 6.3821E-02 C6 6 + + BOND = 0.2307 ANGLE = 0.0915 DIHED = 0.0011 + VDWAALS = -0.5154 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4965 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 221 -4.3366E+00 1.5279E-02 4.4693E-02 H1 9 + + BOND = 0.2306 ANGLE = 0.0914 DIHED = 0.0011 + VDWAALS = -0.5153 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4965 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 222 -4.3367E+00 1.1163E-02 2.3194E-02 H7 15 + + BOND = 0.2308 ANGLE = 0.0916 DIHED = 0.0011 + VDWAALS = -0.5154 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4961 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 223 -4.3367E+00 1.5971E-02 4.3338E-02 C2 2 + + BOND = 0.2311 ANGLE = 0.0918 DIHED = 0.0011 + VDWAALS = -0.5154 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4958 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 224 -4.3367E+00 1.8467E-02 6.1812E-02 C1 1 + + BOND = 0.2313 ANGLE = 0.0920 DIHED = 0.0011 + VDWAALS = -0.5155 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4954 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 225 -4.3367E+00 4.4245E-02 1.6203E-01 C1 1 + + BOND = 0.2318 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5157 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4946 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 226 -4.3062E+00 1.8287E+00 6.3589E+00 C1 1 + + BOND = 0.2539 ANGLE = 0.0920 DIHED = 0.0012 + VDWAALS = -0.5156 EEL = 3.3415 EGB = -3.9144 + 1-4 VDW = 4.5053 1-4 EEL = -8.0701 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 227 -4.3300E+00 8.3823E-01 2.9722E+00 C1 1 + + BOND = 0.2326 ANGLE = 0.0917 DIHED = 0.0012 + VDWAALS = -0.5156 EEL = 3.3415 EGB = -3.9140 + 1-4 VDW = 4.5021 1-4 EEL = -8.0697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 228 -4.3355E+00 3.6750E-01 1.0261E+00 C1 1 + + BOND = 0.2295 ANGLE = 0.0930 DIHED = 0.0012 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9131 + 1-4 VDW = 4.4970 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 229 -4.3266E+00 1.0713E+00 3.4982E+00 C1 1 + + BOND = 0.2406 ANGLE = 0.0913 DIHED = 0.0011 + VDWAALS = -0.5155 EEL = 3.3421 EGB = -3.9126 + 1-4 VDW = 4.4965 1-4 EEL = -8.0700 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 230 1.9444E+01 5.2040E+01 1.7470E+02 C1 1 + + BOND = 22.0017 ANGLE = 2.0626 DIHED = 0.0015 + VDWAALS = -0.5172 EEL = 3.3247 EGB = -3.9385 + 1-4 VDW = 4.5404 1-4 EEL = -8.0313 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 231 -4.3367E+00 3.7394E-02 1.1032E-01 C1 1 + + BOND = 0.2296 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9131 + 1-4 VDW = 4.4965 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 232 -4.3367E+00 1.7647E-02 5.2859E-02 H1 9 + + BOND = 0.2297 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9131 + 1-4 VDW = 4.4964 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 233 -4.3367E+00 1.8827E-02 4.8679E-02 C3 3 + + BOND = 0.2298 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9131 + 1-4 VDW = 4.4964 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 234 -4.3367E+00 9.3967E-03 2.0265E-02 H9 17 + + BOND = 0.2300 ANGLE = 0.0922 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9132 + 1-4 VDW = 4.4962 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 235 -4.3367E+00 1.0712E-02 2.4839E-02 C6 6 + + BOND = 0.2301 ANGLE = 0.0922 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9132 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 236 -4.3368E+00 9.2378E-03 2.3375E-02 C6 6 + + BOND = 0.2304 ANGLE = 0.0922 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 237 -4.3368E+00 1.7888E-02 4.0861E-02 C8 8 + + BOND = 0.2317 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 238 -4.3368E+00 1.3958E-02 3.4292E-02 H1 9 + + BOND = 0.2330 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3416 EGB = -3.9138 + 1-4 VDW = 4.4937 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 239 -4.3368E+00 1.2960E-02 3.3237E-02 H1 9 + + BOND = 0.2329 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3416 EGB = -3.9137 + 1-4 VDW = 4.4938 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 240 -4.3368E+00 1.1620E-02 2.8570E-02 H6 14 + + BOND = 0.2329 ANGLE = 0.0921 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3416 EGB = -3.9138 + 1-4 VDW = 4.4938 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 241 -4.3368E+00 2.1584E-02 7.0872E-02 C4 4 + + BOND = 0.2328 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3416 EGB = -3.9139 + 1-4 VDW = 4.4938 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 242 -4.3368E+00 1.9582E-02 5.8255E-02 C4 4 + + BOND = 0.2326 ANGLE = 0.0923 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3415 EGB = -3.9139 + 1-4 VDW = 4.4939 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 243 -4.3368E+00 4.5065E-02 1.3959E-01 C7 7 + + BOND = 0.2318 ANGLE = 0.0926 DIHED = 0.0011 + VDWAALS = -0.5156 EEL = 3.3414 EGB = -3.9139 + 1-4 VDW = 4.4944 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 244 -4.3369E+00 4.6872E-02 1.2004E-01 C1 1 + + BOND = 0.2312 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5155 EEL = 3.3414 EGB = -3.9137 + 1-4 VDW = 4.4947 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 245 -4.3369E+00 6.1529E-02 1.6399E-01 C1 1 + + BOND = 0.2311 ANGLE = 0.0925 DIHED = 0.0011 + VDWAALS = -0.5155 EEL = 3.3414 EGB = -3.9136 + 1-4 VDW = 4.4948 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 246 -4.3370E+00 3.9071E-02 8.9151E-02 C1 1 + + BOND = 0.2306 ANGLE = 0.0925 DIHED = 0.0012 + VDWAALS = -0.5154 EEL = 3.3413 EGB = -3.9134 + 1-4 VDW = 4.4949 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 247 -4.3371E+00 3.7911E-02 9.1524E-02 C3 3 + + BOND = 0.2299 ANGLE = 0.0925 DIHED = 0.0012 + VDWAALS = -0.5152 EEL = 3.3412 EGB = -3.9132 + 1-4 VDW = 4.4950 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 248 -4.3371E+00 4.0647E-02 1.4699E-01 C2 2 + + BOND = 0.2293 ANGLE = 0.0921 DIHED = 0.0012 + VDWAALS = -0.5150 EEL = 3.3411 EGB = -3.9136 + 1-4 VDW = 4.4962 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 249 -4.3371E+00 5.7315E-02 2.2376E-01 C2 2 + + BOND = 0.2290 ANGLE = 0.0919 DIHED = 0.0012 + VDWAALS = -0.5149 EEL = 3.3411 EGB = -3.9138 + 1-4 VDW = 4.4968 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 250 -4.3373E+00 3.9724E-02 1.0955E-01 C5 5 + + BOND = 0.2312 ANGLE = 0.0903 DIHED = 0.0012 + VDWAALS = -0.5145 EEL = 3.3413 EGB = -3.9136 + 1-4 VDW = 4.4954 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 251 -4.3370E+00 1.7141E-01 4.8003E-01 C3 3 + + BOND = 0.2359 ANGLE = 0.0875 DIHED = 0.0013 + VDWAALS = -0.5146 EEL = 3.3421 EGB = -3.9119 + 1-4 VDW = 4.4917 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 252 -4.3374E+00 4.0831E-02 9.8879E-02 C6 6 + + BOND = 0.2317 ANGLE = 0.0895 DIHED = 0.0012 + VDWAALS = -0.5146 EEL = 3.3415 EGB = -3.9134 + 1-4 VDW = 4.4952 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 253 -4.3372E+00 1.6696E-01 4.6640E-01 C2 2 + + BOND = 0.2299 ANGLE = 0.0909 DIHED = 0.0012 + VDWAALS = -0.5146 EEL = 3.3414 EGB = -3.9143 + 1-4 VDW = 4.4975 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 254 -4.3374E+00 4.7841E-02 1.2769E-01 C5 5 + + BOND = 0.2309 ANGLE = 0.0904 DIHED = 0.0012 + VDWAALS = -0.5146 EEL = 3.3414 EGB = -3.9141 + 1-4 VDW = 4.4961 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 255 4.5501E+03 8.8234E+02 3.2995E+03 C1 1 + + BOND = 3100.8745 ANGLE = 923.9581 DIHED = 37.5410 + VDWAALS = 0.2302 EEL = 5.8899 EGB = -1.5797 + 1-4 VDW = 491.0291 1-4 EEL = -7.8601 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 256 -4.3375E+00 3.6283E-02 1.0756E-01 C4 4 + + BOND = 0.2328 ANGLE = 0.0890 DIHED = 0.0012 + VDWAALS = -0.5146 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4946 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 257 -4.3375E+00 1.6938E-02 4.6527E-02 H3 11 + + BOND = 0.2321 ANGLE = 0.0895 DIHED = 0.0012 + VDWAALS = -0.5146 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4951 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 258 -4.3375E+00 1.5879E-02 4.5574E-02 H3 11 + + BOND = 0.2319 ANGLE = 0.0895 DIHED = 0.0012 + VDWAALS = -0.5147 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4953 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 259 -4.3375E+00 4.4076E-02 1.1430E-01 C2 2 + + BOND = 0.2311 ANGLE = 0.0897 DIHED = 0.0012 + VDWAALS = -0.5148 EEL = 3.3416 EGB = -3.9135 + 1-4 VDW = 4.4959 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 260 -4.3376E+00 3.3648E-02 8.6538E-02 C7 7 + + BOND = 0.2302 ANGLE = 0.0898 DIHED = 0.0012 + VDWAALS = -0.5150 EEL = 3.3416 EGB = -3.9135 + 1-4 VDW = 4.4969 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 261 -4.3376E+00 4.6915E-02 1.3674E-01 C7 7 + + BOND = 0.2297 ANGLE = 0.0899 DIHED = 0.0012 + VDWAALS = -0.5151 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4974 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 262 -4.3377E+00 3.2389E-02 1.2825E-01 C1 1 + + BOND = 0.2295 ANGLE = 0.0900 DIHED = 0.0012 + VDWAALS = -0.5153 EEL = 3.3417 EGB = -3.9134 + 1-4 VDW = 4.4977 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 263 -4.3377E+00 4.3589E-02 1.1892E-01 C1 1 + + BOND = 0.2294 ANGLE = 0.0902 DIHED = 0.0012 + VDWAALS = -0.5156 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4980 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 264 -4.3376E+00 1.0241E-01 2.7419E-01 C1 1 + + BOND = 0.2322 ANGLE = 0.0906 DIHED = 0.0012 + VDWAALS = -0.5161 EEL = 3.3422 EGB = -3.9129 + 1-4 VDW = 4.4950 1-4 EEL = -8.0697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 265 -4.3377E+00 2.0108E-02 5.2021E-02 C1 1 + + BOND = 0.2303 ANGLE = 0.0903 DIHED = 0.0012 + VDWAALS = -0.5158 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4969 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 266 -4.3377E+00 1.4566E-02 3.7237E-02 H4 12 + + BOND = 0.2306 ANGLE = 0.0904 DIHED = 0.0012 + VDWAALS = -0.5159 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4966 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 267 -4.3377E+00 1.8779E-02 5.0003E-02 C5 5 + + BOND = 0.2307 ANGLE = 0.0904 DIHED = 0.0012 + VDWAALS = -0.5159 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4965 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 268 -4.3378E+00 1.5293E-02 3.5993E-02 C6 6 + + BOND = 0.2308 ANGLE = 0.0907 DIHED = 0.0012 + VDWAALS = -0.5160 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4964 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 269 -4.3378E+00 2.5803E-02 9.9494E-02 C7 7 + + BOND = 0.2310 ANGLE = 0.0911 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 270 -4.3378E+00 3.4702E-02 8.9764E-02 C6 6 + + BOND = 0.2318 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5164 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 271 -4.3378E+00 1.9025E-02 5.5071E-02 C2 2 + + BOND = 0.2315 ANGLE = 0.0915 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4953 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 272 -4.3378E+00 1.3496E-02 4.6587E-02 C6 6 + + BOND = 0.2317 ANGLE = 0.0917 DIHED = 0.0012 + VDWAALS = -0.5164 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4949 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 273 -4.3378E+00 1.3859E-02 4.8353E-02 C6 6 + + BOND = 0.2317 ANGLE = 0.0917 DIHED = 0.0012 + VDWAALS = -0.5164 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4949 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 274 -4.3378E+00 1.1001E-02 2.5659E-02 H4 12 + + BOND = 0.2314 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5164 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4951 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 275 -4.3378E+00 1.7235E-02 4.9965E-02 C6 6 + + BOND = 0.2311 ANGLE = 0.0920 DIHED = 0.0012 + VDWAALS = -0.5165 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4953 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 276 -4.3343E+00 5.8722E-01 2.1286E+00 C6 6 + + BOND = 0.2368 ANGLE = 0.0935 DIHED = 0.0014 + VDWAALS = -0.5161 EEL = 3.3426 EGB = -3.9117 + 1-4 VDW = 4.4897 1-4 EEL = -8.0703 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 277 -4.3373E+00 1.9654E-01 6.8479E-01 C6 6 + + BOND = 0.2321 ANGLE = 0.0921 DIHED = 0.0014 + VDWAALS = -0.5161 EEL = 3.3421 EGB = -3.9126 + 1-4 VDW = 4.4935 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 278 -4.3373E+00 2.2183E-01 8.2668E-01 C6 6 + + BOND = 0.2286 ANGLE = 0.0904 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3415 EGB = -3.9139 + 1-4 VDW = 4.4999 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 279 -4.3366E+00 3.7783E-01 1.3370E+00 C3 3 + + BOND = 0.2340 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5161 EEL = 3.3423 EGB = -3.9125 + 1-4 VDW = 4.4928 1-4 EEL = -8.0699 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 280 1.9249E+02 1.5005E+02 5.2199E+02 C1 1 + + BOND = 139.3922 ANGLE = 54.8991 DIHED = 0.0213 + VDWAALS = -0.5217 EEL = 3.1920 EGB = -4.1662 + 1-4 VDW = 7.4967 1-4 EEL = -7.8284 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 281 -4.3378E+00 5.2999E-02 1.9350E-01 C5 5 + + BOND = 0.2313 ANGLE = 0.0913 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4950 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 282 -4.3378E+00 1.5328E-02 3.5946E-02 C5 5 + + BOND = 0.2308 ANGLE = 0.0911 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9133 + 1-4 VDW = 4.4959 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 283 -4.3379E+00 1.0455E-02 2.4992E-02 H9 17 + + BOND = 0.2307 ANGLE = 0.0911 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 284 -4.3379E+00 9.0020E-03 2.4687E-02 H9 17 + + BOND = 0.2307 ANGLE = 0.0911 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 285 -4.3379E+00 1.6825E-02 5.2548E-02 C5 5 + + BOND = 0.2309 ANGLE = 0.0911 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4959 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 286 -4.3379E+00 1.2280E-02 3.2309E-02 C4 4 + + BOND = 0.2312 ANGLE = 0.0912 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4956 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 287 -4.3379E+00 1.7641E-02 4.5622E-02 C5 5 + + BOND = 0.2315 ANGLE = 0.0913 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4952 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 288 -4.3379E+00 1.8932E-02 5.0412E-02 C3 3 + + BOND = 0.2319 ANGLE = 0.0916 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4946 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 289 -4.3379E+00 1.9233E-02 5.0823E-02 C3 3 + + BOND = 0.2319 ANGLE = 0.0916 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4946 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 290 -4.3379E+00 1.4726E-02 2.9662E-02 H4 12 + + BOND = 0.2319 ANGLE = 0.0917 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3416 EGB = -3.9137 + 1-4 VDW = 4.4946 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 291 -4.3379E+00 2.0541E-02 4.6855E-02 C1 1 + + BOND = 0.2319 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3415 EGB = -3.9137 + 1-4 VDW = 4.4946 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 292 -4.3379E+00 3.3282E-02 1.0701E-01 C1 1 + + BOND = 0.2321 ANGLE = 0.0919 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3415 EGB = -3.9136 + 1-4 VDW = 4.4941 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 293 -4.3379E+00 2.0604E-02 5.4388E-02 C1 1 + + BOND = 0.2320 ANGLE = 0.0919 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3415 EGB = -3.9137 + 1-4 VDW = 4.4942 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 294 -4.3379E+00 2.0922E-02 4.8850E-02 C6 6 + + BOND = 0.2319 ANGLE = 0.0918 DIHED = 0.0012 + VDWAALS = -0.5163 EEL = 3.3416 EGB = -3.9135 + 1-4 VDW = 4.4943 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 295 -4.3380E+00 6.4516E-02 1.7222E-01 C6 6 + + BOND = 0.2313 ANGLE = 0.0915 DIHED = 0.0012 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9129 + 1-4 VDW = 4.4946 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 296 -4.3381E+00 4.5346E-02 1.3861E-01 H1 9 + + BOND = 0.2296 ANGLE = 0.0912 DIHED = 0.0012 + VDWAALS = -0.5160 EEL = 3.3418 EGB = -3.9125 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 297 -4.3381E+00 5.9808E-02 1.8062E-01 H1 9 + + BOND = 0.2271 ANGLE = 0.0908 DIHED = 0.0012 + VDWAALS = -0.5158 EEL = 3.3418 EGB = -3.9120 + 1-4 VDW = 4.4981 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 298 -4.3382E+00 7.0795E-02 2.8231E-01 C2 2 + + BOND = 0.2232 ANGLE = 0.0899 DIHED = 0.0012 + VDWAALS = -0.5155 EEL = 3.3417 EGB = -3.9123 + 1-4 VDW = 4.5028 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 299 -4.3382E+00 5.4983E-02 2.1334E-01 C2 2 + + BOND = 0.2240 ANGLE = 0.0901 DIHED = 0.0012 + VDWAALS = -0.5155 EEL = 3.3417 EGB = -3.9122 + 1-4 VDW = 4.5019 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 300 -4.3384E+00 4.6647E-02 1.6143E-01 C2 2 + + BOND = 0.2251 ANGLE = 0.0895 DIHED = 0.0012 + VDWAALS = -0.5153 EEL = 3.3417 EGB = -3.9123 + 1-4 VDW = 4.5009 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 301 -4.3382E+00 1.4623E-01 4.3873E-01 C2 2 + + BOND = 0.2352 ANGLE = 0.0881 DIHED = 0.0013 + VDWAALS = -0.5153 EEL = 3.3420 EGB = -3.9128 + 1-4 VDW = 4.4922 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 302 -4.3385E+00 6.4398E-02 1.7914E-01 C7 7 + + BOND = 0.2316 ANGLE = 0.0888 DIHED = 0.0013 + VDWAALS = -0.5154 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4961 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 303 -4.3380E+00 2.5049E-01 5.8424E-01 C7 7 + + BOND = 0.2323 ANGLE = 0.0898 DIHED = 0.0013 + VDWAALS = -0.5154 EEL = 3.3414 EGB = -3.9137 + 1-4 VDW = 4.4947 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 304 -4.3385E+00 8.4804E-02 2.2553E-01 C1 1 + + BOND = 0.2317 ANGLE = 0.0893 DIHED = 0.0013 + VDWAALS = -0.5154 EEL = 3.3416 EGB = -3.9136 + 1-4 VDW = 4.4954 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 305 3.2407E+03 6.3080E+02 1.8864E+03 C2 2 + + BOND = 2553.6215 ANGLE = 611.5350 DIHED = 0.7252 + VDWAALS = -0.5030 EEL = 3.9871 EGB = -3.5634 + 1-4 VDW = 84.9850 1-4 EEL = -10.1146 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 306 -4.3385E+00 2.7102E-02 5.9499E-02 C5 5 + + BOND = 0.2314 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5154 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4960 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 307 -4.3385E+00 1.8285E-02 4.0846E-02 H3 11 + + BOND = 0.2315 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5154 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4959 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 308 -4.3386E+00 1.4162E-02 4.1158E-02 H3 11 + + BOND = 0.2314 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5155 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4960 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 309 -4.3386E+00 2.0729E-02 4.3497E-02 C5 5 + + BOND = 0.2313 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5155 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4962 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 310 -4.3386E+00 1.8990E-02 4.1069E-02 H2 10 + + BOND = 0.2313 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5155 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4962 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 311 -4.3386E+00 4.1322E-02 1.4318E-01 C7 7 + + BOND = 0.2313 ANGLE = 0.0890 DIHED = 0.0013 + VDWAALS = -0.5156 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4962 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 312 -4.3387E+00 3.1504E-02 9.4242E-02 C7 7 + + BOND = 0.2312 ANGLE = 0.0892 DIHED = 0.0013 + VDWAALS = -0.5158 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 313 -4.3387E+00 4.1081E-02 1.1266E-01 C3 3 + + BOND = 0.2309 ANGLE = 0.0897 DIHED = 0.0013 + VDWAALS = -0.5163 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4962 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 314 -4.3384E+00 1.7204E-01 5.9145E-01 C3 3 + + BOND = 0.2289 ANGLE = 0.0895 DIHED = 0.0013 + VDWAALS = -0.5170 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4999 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 315 -4.3387E+00 1.9420E-02 4.2911E-02 H4 12 + + BOND = 0.2304 ANGLE = 0.0897 DIHED = 0.0013 + VDWAALS = -0.5164 EEL = 3.3418 EGB = -3.9133 + 1-4 VDW = 4.4970 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 316 -4.3387E+00 1.5966E-02 4.1536E-02 H4 12 + + BOND = 0.2303 ANGLE = 0.0897 DIHED = 0.0013 + VDWAALS = -0.5165 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4971 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 317 -4.3388E+00 2.7230E-02 7.1584E-02 C2 2 + + BOND = 0.2303 ANGLE = 0.0897 DIHED = 0.0013 + VDWAALS = -0.5165 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4972 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 318 -4.3388E+00 1.8503E-02 4.6995E-02 C1 1 + + BOND = 0.2308 ANGLE = 0.0900 DIHED = 0.0013 + VDWAALS = -0.5167 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4966 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 319 -4.3388E+00 2.1550E-02 7.0599E-02 C1 1 + + BOND = 0.2315 ANGLE = 0.0905 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4956 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 320 -4.3388E+00 3.5029E-02 1.0391E-01 C5 5 + + BOND = 0.2320 ANGLE = 0.0914 DIHED = 0.0013 + VDWAALS = -0.5171 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4947 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 321 -4.3388E+00 2.1979E-02 7.2150E-02 C5 5 + + BOND = 0.2318 ANGLE = 0.0911 DIHED = 0.0013 + VDWAALS = -0.5170 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4950 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 322 -4.3388E+00 2.8072E-02 8.2585E-02 C7 7 + + BOND = 0.2320 ANGLE = 0.0914 DIHED = 0.0013 + VDWAALS = -0.5172 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 323 -4.3388E+00 1.4380E-02 3.3074E-02 H1 9 + + BOND = 0.2319 ANGLE = 0.0912 DIHED = 0.0013 + VDWAALS = -0.5171 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 324 -4.3388E+00 1.0750E-02 2.5186E-02 H4 12 + + BOND = 0.2319 ANGLE = 0.0912 DIHED = 0.0013 + VDWAALS = -0.5171 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 325 -4.3388E+00 1.5598E-02 4.0763E-02 C4 4 + + BOND = 0.2319 ANGLE = 0.0912 DIHED = 0.0013 + VDWAALS = -0.5171 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4949 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 326 -4.3376E+00 3.0502E-01 9.0047E-01 C6 6 + + BOND = 0.2274 ANGLE = 0.0931 DIHED = 0.0014 + VDWAALS = -0.5170 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4985 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 327 -4.3387E+00 9.9943E-02 3.4343E-01 C4 4 + + BOND = 0.2277 ANGLE = 0.0916 DIHED = 0.0013 + VDWAALS = -0.5170 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4985 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 328 -4.3386E+00 1.3080E-01 4.1742E-01 C4 4 + + BOND = 0.2310 ANGLE = 0.0895 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3419 EGB = -3.9130 + 1-4 VDW = 4.4968 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 329 -4.3389E+00 3.6636E-02 1.3701E-01 C5 5 + + BOND = 0.2308 ANGLE = 0.0905 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9132 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 330 1.5011E+04 1.2374E+03 4.3466E+03 C5 5 + + BOND = 12564.3005 ANGLE = 2315.8768 DIHED = 50.9116 + VDWAALS = -0.4916 EEL = 3.6276 EGB = -4.2523 + 1-4 VDW = 93.0770 1-4 EEL = -12.2803 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 331 -4.3389E+00 1.9673E-02 5.8546E-02 C7 7 + + BOND = 0.2306 ANGLE = 0.0905 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9133 + 1-4 VDW = 4.4963 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 332 -4.3389E+00 1.1104E-02 2.0523E-02 C4 4 + + BOND = 0.2306 ANGLE = 0.0905 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9132 + 1-4 VDW = 4.4963 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 333 -4.3389E+00 8.4975E-03 2.1156E-02 H5 13 + + BOND = 0.2306 ANGLE = 0.0906 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9133 + 1-4 VDW = 4.4963 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 334 -4.3389E+00 1.1591E-02 2.7992E-02 C6 6 + + BOND = 0.2305 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4964 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 335 -4.3389E+00 1.0013E-02 2.4284E-02 H9 17 + + BOND = 0.2308 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 336 -4.3389E+00 1.9873E-02 6.0834E-02 C3 3 + + BOND = 0.2318 ANGLE = 0.0908 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4952 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 337 -4.3389E+00 2.7626E-02 1.0216E-01 C3 3 + + BOND = 0.2332 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3417 EGB = -3.9139 + 1-4 VDW = 4.4940 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 338 -4.3389E+00 2.1479E-02 6.8227E-02 C3 3 + + BOND = 0.2329 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3417 EGB = -3.9138 + 1-4 VDW = 4.4942 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 339 -4.3389E+00 1.9622E-02 5.4091E-02 C3 3 + + BOND = 0.2335 ANGLE = 0.0906 DIHED = 0.0013 + VDWAALS = -0.5169 EEL = 3.3417 EGB = -3.9139 + 1-4 VDW = 4.4937 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 340 -4.3389E+00 2.9798E-02 7.5037E-02 C3 3 + + BOND = 0.2339 ANGLE = 0.0906 DIHED = 0.0013 + VDWAALS = -0.5168 EEL = 3.3417 EGB = -3.9139 + 1-4 VDW = 4.4934 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 341 -4.3389E+00 2.5095E-02 7.9200E-02 H1 9 + + BOND = 0.2339 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5168 EEL = 3.3417 EGB = -3.9140 + 1-4 VDW = 4.4933 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 342 -4.3390E+00 3.6443E-02 1.0216E-01 H1 9 + + BOND = 0.2338 ANGLE = 0.0908 DIHED = 0.0013 + VDWAALS = -0.5167 EEL = 3.3417 EGB = -3.9140 + 1-4 VDW = 4.4932 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 343 -4.3390E+00 3.0739E-02 6.5094E-02 C5 5 + + BOND = 0.2328 ANGLE = 0.0907 DIHED = 0.0013 + VDWAALS = -0.5166 EEL = 3.3417 EGB = -3.9139 + 1-4 VDW = 4.4941 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 344 -4.3390E+00 5.2915E-02 1.4034E-01 C6 6 + + BOND = 0.2315 ANGLE = 0.0906 DIHED = 0.0013 + VDWAALS = -0.5165 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4953 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 345 -4.3391E+00 4.5946E-02 1.2967E-01 C5 5 + + BOND = 0.2295 ANGLE = 0.0898 DIHED = 0.0013 + VDWAALS = -0.5162 EEL = 3.3416 EGB = -3.9131 + 1-4 VDW = 4.4969 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 346 -4.3391E+00 4.5031E-02 1.2749E-01 C5 5 + + BOND = 0.2295 ANGLE = 0.0898 DIHED = 0.0013 + VDWAALS = -0.5162 EEL = 3.3416 EGB = -3.9131 + 1-4 VDW = 4.4969 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 347 -4.3392E+00 5.2150E-02 1.2507E-01 C2 2 + + BOND = 0.2288 ANGLE = 0.0891 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3418 EGB = -3.9127 + 1-4 VDW = 4.4977 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 348 -4.3392E+00 3.8261E-02 9.3573E-02 H6 14 + + BOND = 0.2290 ANGLE = 0.0893 DIHED = 0.0013 + VDWAALS = -0.5161 EEL = 3.3417 EGB = -3.9128 + 1-4 VDW = 4.4975 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 349 -4.3392E+00 3.2689E-02 7.7974E-02 H6 14 + + BOND = 0.2291 ANGLE = 0.0891 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3417 EGB = -3.9129 + 1-4 VDW = 4.4976 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 350 -4.3392E+00 5.2873E-02 1.7994E-01 C1 1 + + BOND = 0.2292 ANGLE = 0.0889 DIHED = 0.0013 + VDWAALS = -0.5158 EEL = 3.3417 EGB = -3.9130 + 1-4 VDW = 4.4976 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 351 -4.3363E+00 5.3204E-01 1.7610E+00 C1 1 + + BOND = 0.2346 ANGLE = 0.0876 DIHED = 0.0014 + VDWAALS = -0.5159 EEL = 3.3420 EGB = -3.9134 + 1-4 VDW = 4.4970 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 352 -4.3389E+00 1.8268E-01 6.0476E-01 C1 1 + + BOND = 0.2327 ANGLE = 0.0879 DIHED = 0.0014 + VDWAALS = -0.5159 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4959 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 353 -4.3389E+00 2.0665E-01 7.0227E-01 C1 1 + + BOND = 0.2325 ANGLE = 0.0889 DIHED = 0.0014 + VDWAALS = -0.5160 EEL = 3.3416 EGB = -3.9138 + 1-4 VDW = 4.4951 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 354 -4.3384E+00 3.2301E-01 1.0491E+00 C1 1 + + BOND = 0.2322 ANGLE = 0.0881 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3419 EGB = -3.9135 + 1-4 VDW = 4.4971 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 355 2.4605E+02 1.6399E+02 5.3348E+02 C1 1 + + BOND = 200.5974 ANGLE = 49.7875 DIHED = 0.0136 + VDWAALS = -0.5242 EEL = 3.2382 EGB = -4.0236 + 1-4 VDW = 4.7763 1-4 EEL = -7.8147 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 356 -4.3394E+00 4.4097E-02 1.1218E-01 C7 7 + + BOND = 0.2317 ANGLE = 0.0884 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3417 EGB = -3.9137 + 1-4 VDW = 4.4960 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 357 -4.3394E+00 1.3859E-02 4.1117E-02 H3 11 + + BOND = 0.2317 ANGLE = 0.0884 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4961 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 358 -4.3394E+00 1.4549E-02 4.0955E-02 H3 11 + + BOND = 0.2317 ANGLE = 0.0884 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4961 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 359 -4.3394E+00 1.3462E-02 3.9557E-02 H3 11 + + BOND = 0.2316 ANGLE = 0.0884 DIHED = 0.0013 + VDWAALS = -0.5160 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4961 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 360 -4.3394E+00 3.4676E-02 1.1077E-01 C6 6 + + BOND = 0.2312 ANGLE = 0.0886 DIHED = 0.0013 + VDWAALS = -0.5161 EEL = 3.3417 EGB = -3.9135 + 1-4 VDW = 4.4962 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 361 -4.3394E+00 2.8536E-02 8.7642E-02 C2 2 + + BOND = 0.2308 ANGLE = 0.0887 DIHED = 0.0013 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4967 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 362 -4.3395E+00 4.6362E-02 1.3128E-01 C1 1 + + BOND = 0.2293 ANGLE = 0.0890 DIHED = 0.0014 + VDWAALS = -0.5165 EEL = 3.3418 EGB = -3.9131 + 1-4 VDW = 4.4979 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 363 -4.3395E+00 6.1645E-02 1.9950E-01 C5 5 + + BOND = 0.2283 ANGLE = 0.0892 DIHED = 0.0014 + VDWAALS = -0.5169 EEL = 3.3419 EGB = -3.9128 + 1-4 VDW = 4.4989 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 364 -4.3395E+00 3.6214E-02 1.1261E-01 C5 5 + + BOND = 0.2286 ANGLE = 0.0891 DIHED = 0.0014 + VDWAALS = -0.5168 EEL = 3.3419 EGB = -3.9129 + 1-4 VDW = 4.4985 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 365 -4.3396E+00 2.1667E-02 5.5510E-02 H1 9 + + BOND = 0.2290 ANGLE = 0.0892 DIHED = 0.0014 + VDWAALS = -0.5170 EEL = 3.3419 EGB = -3.9129 + 1-4 VDW = 4.4981 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 366 -4.3396E+00 2.6788E-02 8.1739E-02 H7 15 + + BOND = 0.2292 ANGLE = 0.0893 DIHED = 0.0014 + VDWAALS = -0.5171 EEL = 3.3419 EGB = -3.9129 + 1-4 VDW = 4.4979 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 367 -4.3396E+00 1.8224E-02 4.7622E-02 C6 6 + + BOND = 0.2297 ANGLE = 0.0898 DIHED = 0.0014 + VDWAALS = -0.5172 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4974 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 368 -4.3396E+00 1.8939E-02 5.1380E-02 C6 6 + + BOND = 0.2297 ANGLE = 0.0898 DIHED = 0.0014 + VDWAALS = -0.5173 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4974 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 369 -4.3396E+00 1.9474E-02 6.2381E-02 C7 7 + + BOND = 0.2306 ANGLE = 0.0899 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4967 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 370 -4.3396E+00 2.3915E-02 8.3693E-02 C7 7 + + BOND = 0.2308 ANGLE = 0.0899 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4965 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 371 -4.3396E+00 2.4633E-02 1.0093E-01 C5 5 + + BOND = 0.2322 ANGLE = 0.0902 DIHED = 0.0014 + VDWAALS = -0.5175 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4951 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 372 -4.3396E+00 1.6937E-02 6.2808E-02 C5 5 + + BOND = 0.2319 ANGLE = 0.0901 DIHED = 0.0014 + VDWAALS = -0.5175 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4955 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 373 -4.3396E+00 1.0548E-02 2.8993E-02 C2 2 + + BOND = 0.2322 ANGLE = 0.0903 DIHED = 0.0014 + VDWAALS = -0.5175 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4951 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 374 -4.3396E+00 1.2531E-02 4.1012E-02 C2 2 + + BOND = 0.2323 ANGLE = 0.0903 DIHED = 0.0014 + VDWAALS = -0.5175 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4950 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 375 -4.3396E+00 1.1798E-02 3.1773E-02 H6 14 + + BOND = 0.2320 ANGLE = 0.0904 DIHED = 0.0014 + VDWAALS = -0.5176 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4952 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 376 -4.3393E+00 1.5427E-01 4.6936E-01 C5 5 + + BOND = 0.2300 ANGLE = 0.0897 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3420 EGB = -3.9123 + 1-4 VDW = 4.4967 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 377 -4.3396E+00 6.6304E-02 2.4348E-01 C7 7 + + BOND = 0.2287 ANGLE = 0.0899 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3420 EGB = -3.9128 + 1-4 VDW = 4.4980 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 378 -4.3393E+00 2.0897E-01 8.2447E-01 C7 7 + + BOND = 0.2299 ANGLE = 0.0905 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3417 EGB = -3.9133 + 1-4 VDW = 4.4969 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 379 -4.3396E+00 5.8014E-02 2.3645E-01 C7 7 + + BOND = 0.2297 ANGLE = 0.0902 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3418 EGB = -3.9132 + 1-4 VDW = 4.4971 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 380 6.1561E+03 6.7549E+02 2.1049E+03 C5 5 + + BOND = 4811.2326 ANGLE = 1217.6741 DIHED = 2.6178 + VDWAALS = -0.4804 EEL = 4.0693 EGB = -3.1968 + 1-4 VDW = 134.3741 1-4 EEL = -10.1433 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 381 -4.3397E+00 1.7262E-02 5.3768E-02 C5 5 + + BOND = 0.2298 ANGLE = 0.0901 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4971 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 382 -4.3397E+00 1.3920E-02 3.6801E-02 H7 15 + + BOND = 0.2298 ANGLE = 0.0901 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4971 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 383 -4.3397E+00 1.0247E-02 2.5559E-02 H7 15 + + BOND = 0.2299 ANGLE = 0.0901 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4970 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 384 -4.3397E+00 1.2186E-02 3.1024E-02 C6 6 + + BOND = 0.2303 ANGLE = 0.0900 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4967 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 385 -4.3397E+00 1.2983E-02 3.9323E-02 C1 1 + + BOND = 0.2309 ANGLE = 0.0900 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 386 -4.3397E+00 1.8586E-02 6.3638E-02 C1 1 + + BOND = 0.2312 ANGLE = 0.0900 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 387 -4.3397E+00 1.0797E-02 2.5415E-02 H1 9 + + BOND = 0.2320 ANGLE = 0.0900 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4953 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 388 -4.3397E+00 1.3216E-02 3.1896E-02 H1 9 + + BOND = 0.2324 ANGLE = 0.0901 DIHED = 0.0014 + VDWAALS = -0.5174 EEL = 3.3418 EGB = -3.9138 + 1-4 VDW = 4.4949 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 389 -4.3397E+00 1.5793E-02 4.0093E-02 C1 1 + + BOND = 0.2327 ANGLE = 0.0899 DIHED = 0.0014 + VDWAALS = -0.5173 EEL = 3.3418 EGB = -3.9139 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 390 -4.3397E+00 2.0002E-02 5.6001E-02 C1 1 + + BOND = 0.2328 ANGLE = 0.0899 DIHED = 0.0014 + VDWAALS = -0.5173 EEL = 3.3418 EGB = -3.9139 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 391 -4.3397E+00 1.9181E-02 4.4828E-02 C1 1 + + BOND = 0.2328 ANGLE = 0.0898 DIHED = 0.0014 + VDWAALS = -0.5173 EEL = 3.3418 EGB = -3.9139 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 392 -4.3398E+00 5.9870E-02 1.8441E-01 C2 2 + + BOND = 0.2334 ANGLE = 0.0888 DIHED = 0.0013 + VDWAALS = -0.5171 EEL = 3.3418 EGB = -3.9137 + 1-4 VDW = 4.4945 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 393 -4.3399E+00 4.3707E-02 1.2519E-01 C8 8 + + BOND = 0.2331 ANGLE = 0.0883 DIHED = 0.0014 + VDWAALS = -0.5168 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4948 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 394 -4.3401E+00 4.6362E-02 1.2586E-01 C6 6 + + BOND = 0.2325 ANGLE = 0.0870 DIHED = 0.0014 + VDWAALS = -0.5161 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4957 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 395 -4.3397E+00 2.0610E-01 6.0197E-01 C5 5 + + BOND = 0.2283 ANGLE = 0.0869 DIHED = 0.0014 + VDWAALS = -0.5156 EEL = 3.3413 EGB = -3.9143 + 1-4 VDW = 4.5007 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 396 -4.3401E+00 2.6091E-02 6.3231E-02 C1 1 + + BOND = 0.2315 ANGLE = 0.0869 DIHED = 0.0014 + VDWAALS = -0.5160 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4968 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 397 -4.3401E+00 2.1572E-02 5.9660E-02 C5 5 + + BOND = 0.2311 ANGLE = 0.0869 DIHED = 0.0014 + VDWAALS = -0.5159 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4972 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 398 -4.3401E+00 3.6036E-02 1.1052E-01 C6 6 + + BOND = 0.2306 ANGLE = 0.0868 DIHED = 0.0014 + VDWAALS = -0.5159 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4979 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 399 -4.3402E+00 3.1225E-02 7.7636E-02 C5 5 + + BOND = 0.2304 ANGLE = 0.0868 DIHED = 0.0014 + VDWAALS = -0.5159 EEL = 3.3417 EGB = -3.9136 + 1-4 VDW = 4.4979 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 400 -4.3402E+00 6.0846E-02 1.5604E-01 C1 1 + + BOND = 0.2298 ANGLE = 0.0869 DIHED = 0.0015 + VDWAALS = -0.5160 EEL = 3.3418 EGB = -3.9135 + 1-4 VDW = 4.4982 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 401 -4.3324E+00 7.5893E-01 1.9747E+00 C3 3 + + BOND = 0.2402 ANGLE = 0.0861 DIHED = 0.0016 + VDWAALS = -0.5162 EEL = 3.3422 EGB = -3.9133 + 1-4 VDW = 4.4965 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 402 -4.3391E+00 2.6179E-01 6.4388E-01 H3 11 + + BOND = 0.2352 ANGLE = 0.0859 DIHED = 0.0014 + VDWAALS = -0.5162 EEL = 3.3418 EGB = -3.9138 + 1-4 VDW = 4.4951 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 403 -4.3392E+00 3.1034E-01 6.8087E-01 C4 4 + + BOND = 0.2343 ANGLE = 0.0867 DIHED = 0.0013 + VDWAALS = -0.5163 EEL = 3.3420 EGB = -3.9136 + 1-4 VDW = 4.4958 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 404 -4.3370E+00 5.8513E-01 1.3055E+00 C7 7 + + BOND = 0.2348 ANGLE = 0.0880 DIHED = 0.0015 + VDWAALS = -0.5164 EEL = 3.3413 EGB = -3.9142 + 1-4 VDW = 4.4957 1-4 EEL = -8.0677 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 405 7.0886E+01 9.1287E+01 2.0981E+02 C7 7 + + BOND = 57.8536 ANGLE = 17.2382 DIHED = 0.0263 + VDWAALS = -0.5147 EEL = 3.4379 EGB = -3.8214 + 1-4 VDW = 4.9688 1-4 EEL = -8.3027 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 406 -4.3403E+00 1.3672E-01 3.2031E-01 C8 8 + + BOND = 0.2324 ANGLE = 0.0866 DIHED = 0.0014 + VDWAALS = -0.5164 EEL = 3.3419 EGB = -3.9135 + 1-4 VDW = 4.4965 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 407 -4.3405E+00 3.2773E-02 9.0842E-02 C8 8 + + BOND = 0.2321 ANGLE = 0.0868 DIHED = 0.0014 + VDWAALS = -0.5164 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4964 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 408 -4.3405E+00 2.3036E-02 5.1504E-02 C6 6 + + BOND = 0.2320 ANGLE = 0.0869 DIHED = 0.0014 + VDWAALS = -0.5164 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4963 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 409 -4.3405E+00 1.6271E-02 3.9941E-02 H4 12 + + BOND = 0.2318 ANGLE = 0.0869 DIHED = 0.0014 + VDWAALS = -0.5165 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4965 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 410 -4.3405E+00 2.2751E-02 4.9248E-02 H10 18 + + BOND = 0.2316 ANGLE = 0.0870 DIHED = 0.0014 + VDWAALS = -0.5165 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4967 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 411 -4.3406E+00 2.0255E-02 4.7871E-02 H3 11 + + BOND = 0.2312 ANGLE = 0.0872 DIHED = 0.0014 + VDWAALS = -0.5166 EEL = 3.3418 EGB = -3.9136 + 1-4 VDW = 4.4970 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 412 -4.3406E+00 4.4261E-02 1.3066E-01 C7 7 + + BOND = 0.2294 ANGLE = 0.0880 DIHED = 0.0015 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9134 + 1-4 VDW = 4.4981 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 413 -4.3407E+00 5.7963E-02 1.8274E-01 C7 7 + + BOND = 0.2283 ANGLE = 0.0888 DIHED = 0.0016 + VDWAALS = -0.5173 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4986 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 414 -4.3407E+00 4.6277E-02 1.3229E-01 C6 6 + + BOND = 0.2285 ANGLE = 0.0886 DIHED = 0.0016 + VDWAALS = -0.5173 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4985 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 415 -4.3407E+00 3.6714E-02 7.3419E-02 C2 2 + + BOND = 0.2286 ANGLE = 0.0890 DIHED = 0.0016 + VDWAALS = -0.5176 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4983 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 416 -4.3407E+00 4.5952E-02 9.6679E-02 C2 2 + + BOND = 0.2286 ANGLE = 0.0891 DIHED = 0.0016 + VDWAALS = -0.5177 EEL = 3.3419 EGB = -3.9132 + 1-4 VDW = 4.4982 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 417 -4.3408E+00 3.8390E-02 1.1620E-01 C5 5 + + BOND = 0.2297 ANGLE = 0.0893 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4975 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 418 -4.3408E+00 3.9191E-02 1.2070E-01 C5 5 + + BOND = 0.2297 ANGLE = 0.0893 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4975 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 419 -4.3408E+00 6.0147E-02 1.8720E-01 C1 1 + + BOND = 0.2313 ANGLE = 0.0895 DIHED = 0.0014 + VDWAALS = -0.5183 EEL = 3.3419 EGB = -3.9135 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 420 -4.3408E+00 1.1896E-02 3.5982E-02 C3 3 + + BOND = 0.2304 ANGLE = 0.0894 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4969 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 421 -4.3408E+00 9.3895E-03 2.2702E-02 C3 3 + + BOND = 0.2306 ANGLE = 0.0893 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4967 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 422 -4.3408E+00 1.3074E-02 4.5623E-02 C3 3 + + BOND = 0.2308 ANGLE = 0.0893 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4965 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 423 -4.3408E+00 9.3482E-03 1.8881E-02 H9 17 + + BOND = 0.2312 ANGLE = 0.0892 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4962 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 424 -4.3408E+00 1.2870E-02 2.4207E-02 C1 1 + + BOND = 0.2317 ANGLE = 0.0891 DIHED = 0.0015 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9135 + 1-4 VDW = 4.4958 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 425 -4.3409E+00 1.4982E-02 3.5768E-02 H9 17 + + BOND = 0.2317 ANGLE = 0.0891 DIHED = 0.0015 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9136 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 426 -4.3391E+00 3.2074E-01 9.7813E-01 C2 2 + + BOND = 0.2347 ANGLE = 0.0902 DIHED = 0.0015 + VDWAALS = -0.5182 EEL = 3.3428 EGB = -3.9105 + 1-4 VDW = 4.4903 1-4 EEL = -8.0698 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 427 -4.3406E+00 1.0104E-01 2.6214E-01 C1 1 + + BOND = 0.2277 ANGLE = 0.0898 DIHED = 0.0014 + VDWAALS = -0.5182 EEL = 3.3421 EGB = -3.9125 + 1-4 VDW = 4.4986 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 428 -4.3405E+00 1.9815E-01 5.2127E-01 C1 1 + + BOND = 0.2274 ANGLE = 0.0904 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3415 EGB = -3.9140 + 1-4 VDW = 4.4999 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 429 -4.3409E+00 7.4929E-02 2.1840E-01 C2 2 + + BOND = 0.2291 ANGLE = 0.0895 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4981 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 430 3.8249E+03 7.7440E+02 2.5496E+03 C3 3 + + BOND = 2746.4167 ANGLE = 693.5884 DIHED = 4.4228 + VDWAALS = -0.4010 EEL = 3.1704 EGB = -3.3652 + 1-4 VDW = 387.7663 1-4 EEL = -6.7478 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 431 -4.3409E+00 4.3827E-02 1.1815E-01 C1 1 + + BOND = 0.2298 ANGLE = 0.0893 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4973 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 432 -4.3409E+00 1.6912E-02 3.5462E-02 C8 8 + + BOND = 0.2295 ANGLE = 0.0894 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4976 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 433 -4.3409E+00 1.0900E-02 2.1461E-02 H2 10 + + BOND = 0.2298 ANGLE = 0.0893 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4973 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 434 -4.3409E+00 1.0416E-02 2.3611E-02 C8 8 + + BOND = 0.2303 ANGLE = 0.0891 DIHED = 0.0014 + VDWAALS = -0.5181 EEL = 3.3419 EGB = -3.9133 + 1-4 VDW = 4.4970 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 435 -4.3409E+00 7.9383E-03 1.6172E-02 H8 16 + + BOND = 0.2306 ANGLE = 0.0890 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9134 + 1-4 VDW = 4.4967 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 436 -4.3409E+00 1.1861E-02 2.8208E-02 C3 3 + + BOND = 0.2313 ANGLE = 0.0888 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9135 + 1-4 VDW = 4.4963 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 437 -4.3409E+00 2.4026E-02 6.7317E-02 C1 1 + + BOND = 0.2322 ANGLE = 0.0887 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9136 + 1-4 VDW = 4.4956 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 438 -4.3409E+00 1.6700E-02 4.7963E-02 C6 6 + + BOND = 0.2319 ANGLE = 0.0888 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9136 + 1-4 VDW = 4.4958 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 439 -4.3409E+00 1.4049E-02 3.6897E-02 H1 9 + + BOND = 0.2324 ANGLE = 0.0887 DIHED = 0.0015 + VDWAALS = -0.5180 EEL = 3.3419 EGB = -3.9137 + 1-4 VDW = 4.4955 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 440 -4.3409E+00 2.5550E-02 6.2590E-02 H1 9 + + BOND = 0.2332 ANGLE = 0.0886 DIHED = 0.0015 + VDWAALS = -0.5179 EEL = 3.3419 EGB = -3.9138 + 1-4 VDW = 4.4948 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 441 -4.3410E+00 2.1661E-02 6.1387E-02 H7 15 + + BOND = 0.2339 ANGLE = 0.0884 DIHED = 0.0015 + VDWAALS = -0.5179 EEL = 3.3419 EGB = -3.9139 + 1-4 VDW = 4.4944 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 442 -4.3410E+00 4.0656E-02 1.1739E-01 C7 7 + + BOND = 0.2358 ANGLE = 0.0877 DIHED = 0.0015 + VDWAALS = -0.5178 EEL = 3.3419 EGB = -3.9143 + 1-4 VDW = 4.4933 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 443 -4.3411E+00 4.9949E-02 1.5815E-01 C5 5 + + BOND = 0.2364 ANGLE = 0.0880 DIHED = 0.0015 + VDWAALS = -0.5178 EEL = 3.3418 EGB = -3.9145 + 1-4 VDW = 4.4924 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 444 -4.3411E+00 7.4878E-02 2.4293E-01 C5 5 + + BOND = 0.2367 ANGLE = 0.0882 DIHED = 0.0015 + VDWAALS = -0.5177 EEL = 3.3417 EGB = -3.9146 + 1-4 VDW = 4.4918 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 445 -4.3412E+00 5.9252E-02 1.3139E-01 C6 6 + + BOND = 0.2362 ANGLE = 0.0883 DIHED = 0.0015 + VDWAALS = -0.5177 EEL = 3.3417 EGB = -3.9147 + 1-4 VDW = 4.4922 1-4 EEL = -8.0687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 446 -4.3413E+00 9.6863E-02 2.6754E-01 C2 2 + + BOND = 0.2354 ANGLE = 0.0886 DIHED = 0.0015 + VDWAALS = -0.5175 EEL = 3.3417 EGB = -3.9150 + 1-4 VDW = 4.4928 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 447 -4.3416E+00 6.5525E-02 1.7516E-01 H7 15 + + BOND = 0.2332 ANGLE = 0.0870 DIHED = 0.0015 + VDWAALS = -0.5172 EEL = 3.3414 EGB = -3.9152 + 1-4 VDW = 4.4960 1-4 EEL = -8.0684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 448 -4.3416E+00 7.3483E-02 1.9322E-01 H7 15 + + BOND = 0.2329 ANGLE = 0.0868 DIHED = 0.0015 + VDWAALS = -0.5172 EEL = 3.3414 EGB = -3.9152 + 1-4 VDW = 4.4964 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 449 -4.3418E+00 6.6381E-02 1.9093E-01 C6 6 + + BOND = 0.2338 ANGLE = 0.0853 DIHED = 0.0016 + VDWAALS = -0.5169 EEL = 3.3417 EGB = -3.9142 + 1-4 VDW = 4.4955 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 450 -4.3418E+00 7.9398E-02 2.5975E-01 C6 6 + + BOND = 0.2340 ANGLE = 0.0850 DIHED = 0.0016 + VDWAALS = -0.5169 EEL = 3.3418 EGB = -3.9139 + 1-4 VDW = 4.4953 1-4 EEL = -8.0686 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 451 -4.3406E+00 3.5730E-01 1.1226E+00 C6 6 + + BOND = 0.2291 ANGLE = 0.0870 DIHED = 0.0016 + VDWAALS = -0.5169 EEL = 3.3412 EGB = -3.9155 + 1-4 VDW = 4.5014 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 452 -4.3419E+00 1.0091E-01 2.5337E-01 C5 5 + + BOND = 0.2304 ANGLE = 0.0857 DIHED = 0.0016 + VDWAALS = -0.5169 EEL = 3.3416 EGB = -3.9145 + 1-4 VDW = 4.4990 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 453 -4.3418E+00 1.6648E-01 4.9730E-01 C6 6 + + BOND = 0.2350 ANGLE = 0.0837 DIHED = 0.0016 + VDWAALS = -0.5169 EEL = 3.3422 EGB = -3.9128 + 1-4 VDW = 4.4944 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 454 -4.3421E+00 4.0462E-02 1.0755E-01 C3 3 + + BOND = 0.2326 ANGLE = 0.0844 DIHED = 0.0016 + VDWAALS = -0.5170 EEL = 3.3420 EGB = -3.9134 + 1-4 VDW = 4.4966 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 455 1.5091E+06 3.8355E+06 1.4206E+07 C5 5 + + BOND = 5221.8318 ANGLE = 801.4207 DIHED = 40.7193 + VDWAALS = 6.1512 EEL = 1.7815 EGB = -10.1254 + 1-4 VDW = 1503012.7544 1-4 EEL = -5.5302 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 456 1.9301E+03 5.7049E+02 1.7955E+03 C3 3 + + BOND = 1392.4855 ANGLE = 253.6238 DIHED = 1.9753 + VDWAALS = -0.1276 EEL = 2.4467 EGB = -6.9295 + 1-4 VDW = 294.0809 1-4 EEL = -7.4275 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 457 -4.3422E+00 3.8466E-02 1.0360E-01 C2 2 + + BOND = 0.2310 ANGLE = 0.0853 DIHED = 0.0016 + VDWAALS = -0.5170 EEL = 3.3418 EGB = -3.9139 + 1-4 VDW = 4.4980 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 458 -4.3422E+00 3.0474E-02 7.9449E-02 C2 2 + + BOND = 0.2313 ANGLE = 0.0851 DIHED = 0.0016 + VDWAALS = -0.5170 EEL = 3.3418 EGB = -3.9138 + 1-4 VDW = 4.4978 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 459 -4.3422E+00 3.2052E-02 9.0065E-02 C5 5 + + BOND = 0.2310 ANGLE = 0.0852 DIHED = 0.0016 + VDWAALS = -0.5171 EEL = 3.3418 EGB = -3.9138 + 1-4 VDW = 4.4980 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 460 -4.3422E+00 6.7262E-02 2.1726E-01 C5 5 + + BOND = 0.2305 ANGLE = 0.0855 DIHED = 0.0016 + VDWAALS = -0.5172 EEL = 3.3419 EGB = -3.9138 + 1-4 VDW = 4.4985 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 461 -4.3423E+00 5.8275E-02 1.8956E-01 C5 5 + + BOND = 0.2303 ANGLE = 0.0857 DIHED = 0.0016 + VDWAALS = -0.5174 EEL = 3.3419 EGB = -3.9136 + 1-4 VDW = 4.4985 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 462 -4.3426E+00 9.2855E-02 2.6141E-01 C3 3 + + BOND = 0.2291 ANGLE = 0.0869 DIHED = 0.0016 + VDWAALS = -0.5184 EEL = 3.3422 EGB = -3.9130 + 1-4 VDW = 4.4985 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 463 -4.3424E+00 1.5186E-01 4.6529E-01 C1 1 + + BOND = 0.2277 ANGLE = 0.0880 DIHED = 0.0016 + VDWAALS = -0.5196 EEL = 3.3425 EGB = -3.9125 + 1-4 VDW = 4.5000 1-4 EEL = -8.0702 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 464 -4.3427E+00 3.7038E-02 1.1241E-01 H7 15 + + BOND = 0.2284 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5189 EEL = 3.3423 EGB = -3.9128 + 1-4 VDW = 4.4992 1-4 EEL = -8.0698 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 465 -4.3427E+00 1.5582E-02 3.1270E-02 C6 6 + + BOND = 0.2285 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5190 EEL = 3.3422 EGB = -3.9130 + 1-4 VDW = 4.4992 1-4 EEL = -8.0697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 466 -4.3427E+00 1.6655E-02 4.3228E-02 C6 6 + + BOND = 0.2285 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5190 EEL = 3.3422 EGB = -3.9130 + 1-4 VDW = 4.4992 1-4 EEL = -8.0697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 467 -4.3428E+00 1.2264E-02 2.9700E-02 C6 6 + + BOND = 0.2292 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5190 EEL = 3.3422 EGB = -3.9132 + 1-4 VDW = 4.4986 1-4 EEL = -8.0696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 468 -4.3428E+00 1.6104E-02 3.5878E-02 C8 8 + + BOND = 0.2305 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3422 EGB = -3.9134 + 1-4 VDW = 4.4975 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 469 -4.3427E+00 4.2158E-02 1.1427E-01 C5 5 + + BOND = 0.2327 ANGLE = 0.0870 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3420 EGB = -3.9137 + 1-4 VDW = 4.4960 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 470 -4.3428E+00 1.1962E-02 2.6390E-02 H9 17 + + BOND = 0.2313 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3421 EGB = -3.9135 + 1-4 VDW = 4.4969 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 471 -4.3428E+00 1.0828E-02 2.5297E-02 C8 8 + + BOND = 0.2317 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3421 EGB = -3.9136 + 1-4 VDW = 4.4966 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 472 -4.3428E+00 1.3827E-02 3.4505E-02 C1 1 + + BOND = 0.2318 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3421 EGB = -3.9136 + 1-4 VDW = 4.4965 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 473 -4.3428E+00 1.1299E-02 2.7603E-02 C8 8 + + BOND = 0.2321 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3420 EGB = -3.9136 + 1-4 VDW = 4.4962 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 474 -4.3428E+00 1.9272E-02 5.6497E-02 C2 2 + + BOND = 0.2327 ANGLE = 0.0879 DIHED = 0.0016 + VDWAALS = -0.5193 EEL = 3.3419 EGB = -3.9138 + 1-4 VDW = 4.4953 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 475 -4.3428E+00 2.9097E-02 8.6261E-02 C6 6 + + BOND = 0.2321 ANGLE = 0.0882 DIHED = 0.0016 + VDWAALS = -0.5194 EEL = 3.3417 EGB = -3.9140 + 1-4 VDW = 4.4959 1-4 EEL = -8.0689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 476 -4.3401E+00 5.4390E-01 1.7356E+00 C7 7 + + BOND = 0.2348 ANGLE = 0.0878 DIHED = 0.0017 + VDWAALS = -0.5191 EEL = 3.3424 EGB = -3.9120 + 1-4 VDW = 4.4935 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 477 -4.3424E+00 1.9015E-01 5.7679E-01 C6 6 + + BOND = 0.2317 ANGLE = 0.0870 DIHED = 0.0017 + VDWAALS = -0.5191 EEL = 3.3424 EGB = -3.9124 + 1-4 VDW = 4.4957 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 478 -4.3424E+00 2.2386E-01 7.8998E-01 C7 7 + + BOND = 0.2292 ANGLE = 0.0870 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3421 EGB = -3.9133 + 1-4 VDW = 4.4997 1-4 EEL = -8.0697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 479 -4.3428E+00 2.5486E-02 5.8329E-02 C5 5 + + BOND = 0.2294 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3421 EGB = -3.9132 + 1-4 VDW = 4.4986 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 480 1.4188E+04 1.1005E+03 3.0614E+03 C3 3 + + BOND = 12605.1799 ANGLE = 1428.9451 DIHED = 107.5836 + VDWAALS = -0.5087 EEL = 4.7843 EGB = -3.9981 + 1-4 VDW = 55.3307 1-4 EEL = -9.4942 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 481 -4.3428E+00 2.9695E-02 8.5198E-02 C1 1 + + BOND = 0.2307 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3422 EGB = -3.9131 + 1-4 VDW = 4.4971 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 482 -4.3428E+00 1.9880E-02 5.5832E-02 C1 1 + + BOND = 0.2303 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5191 EEL = 3.3422 EGB = -3.9131 + 1-4 VDW = 4.4975 1-4 EEL = -8.0695 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 483 -4.3428E+00 1.4659E-02 3.9235E-02 C2 2 + + BOND = 0.2307 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3421 EGB = -3.9133 + 1-4 VDW = 4.4972 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 484 -4.3428E+00 1.3835E-02 3.6558E-02 C2 2 + + BOND = 0.2306 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3421 EGB = -3.9133 + 1-4 VDW = 4.4972 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 485 -4.3428E+00 1.0596E-02 2.7972E-02 C6 6 + + BOND = 0.2306 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3421 EGB = -3.9134 + 1-4 VDW = 4.4975 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 486 -4.3428E+00 1.0334E-02 2.7455E-02 C6 6 + + BOND = 0.2306 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3421 EGB = -3.9134 + 1-4 VDW = 4.4975 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 487 -4.3428E+00 8.9516E-03 1.9029E-02 H5 13 + + BOND = 0.2308 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3421 EGB = -3.9135 + 1-4 VDW = 4.4973 1-4 EEL = -8.0694 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 488 -4.3429E+00 1.7734E-02 3.6009E-02 C8 8 + + BOND = 0.2312 ANGLE = 0.0877 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3420 EGB = -3.9136 + 1-4 VDW = 4.4967 1-4 EEL = -8.0693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 489 -4.3429E+00 1.6167E-02 4.6489E-02 C5 5 + + BOND = 0.2319 ANGLE = 0.0877 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3420 EGB = -3.9138 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 490 -4.3429E+00 1.6763E-02 4.9240E-02 C5 5 + + BOND = 0.2320 ANGLE = 0.0877 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3420 EGB = -3.9138 + 1-4 VDW = 4.4961 1-4 EEL = -8.0692 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 491 -4.3429E+00 1.6899E-02 3.7597E-02 C7 7 + + BOND = 0.2323 ANGLE = 0.0875 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3419 EGB = -3.9139 + 1-4 VDW = 4.4960 1-4 EEL = -8.0691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 492 -4.3429E+00 2.6814E-02 6.7411E-02 C8 8 + + BOND = 0.2326 ANGLE = 0.0874 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3419 EGB = -3.9140 + 1-4 VDW = 4.4959 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 493 -4.3429E+00 2.4213E-02 5.6951E-02 H7 15 + + BOND = 0.2331 ANGLE = 0.0873 DIHED = 0.0016 + VDWAALS = -0.5192 EEL = 3.3419 EGB = -3.9140 + 1-4 VDW = 4.4954 1-4 EEL = -8.0690 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 494 -4.3430E+00 5.4571E-02 1.5600E-01 H7 15 + + BOND = 0.2361 ANGLE = 0.0866 DIHED = 0.0017 + VDWAALS = -0.5191 EEL = 3.3418 EGB = -3.9142 + 1-4 VDW = 4.4930 1-4 EEL = -8.0688 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 495 -4.3431E+00 5.3977E-02 1.5129E-01 C1 1 + + BOND = 0.2367 ANGLE = 0.0866 DIHED = 0.0017 + VDWAALS = -0.5190 EEL = 3.3416 EGB = -3.9144 + 1-4 VDW = 4.4922 1-4 EEL = -8.0685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 496 -4.3431E+00 7.6527E-02 2.2718E-01 C1 1 + + BOND = 0.2371 ANGLE = 0.0866 DIHED = 0.0018 + VDWAALS = -0.5189 EEL = 3.3415 EGB = -3.9145 + 1-4 VDW = 4.4918 1-4 EEL = -8.0683 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 497 -4.3433E+00 5.4061E-02 1.2484E-01 C3 3 + + BOND = 0.2356 ANGLE = 0.0859 DIHED = 0.0018 + VDWAALS = -0.5188 EEL = 3.3413 EGB = -3.9146 + 1-4 VDW = 4.4935 1-4 EEL = -8.0680 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 498 -4.3434E+00 7.2982E-02 2.1505E-01 C5 5 + + BOND = 0.2340 ANGLE = 0.0851 DIHED = 0.0019 + VDWAALS = -0.5187 EEL = 3.3410 EGB = -3.9146 + 1-4 VDW = 4.4956 1-4 EEL = -8.0677 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 499 -4.3435E+00 1.4166E-01 4.3042E-01 C3 3 + + BOND = 0.2332 ANGLE = 0.0836 DIHED = 0.0018 + VDWAALS = -0.5185 EEL = 3.3411 EGB = -3.9133 + 1-4 VDW = 4.4958 1-4 EEL = -8.0672 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -4.3436E+00 8.0283E-02 2.3590E-01 C3 3 + + BOND = 0.2334 ANGLE = 0.0842 DIHED = 0.0018 + VDWAALS = -0.5186 EEL = 3.3411 EGB = -3.9138 + 1-4 VDW = 4.4957 1-4 EEL = -8.0674 RESTRAINT = 0.0000 + + + Maximum number of minimization cycles reached. + + + FINAL RESULTS + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -4.3436E+00 8.0283E-02 2.3590E-01 C3 3 + + BOND = 0.2334 ANGLE = 0.0842 DIHED = 0.0018 + VDWAALS = -0.5186 EEL = 3.3411 EGB = -3.9138 + 1-4 VDW = 4.4957 1-4 EEL = -8.0674 RESTRAINT = 0.0000 + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Read coords time 0.00 ( 0.18% of Total) +| Fast Water setup 0.00 ( 0.01% of Total) +| Calc gb radii 0.03 (33.08% of Gen B) +| Calc gb diag 0.03 (38.36% of Gen B) +| Calc gb off-diag 0.02 (27.88% of Gen B) +| Other 0.00 ( 0.68% of Gen B) +| Gen Born time 0.08 (100.0% of Nonbo) +| IPS excludes 0.00 ( 0.07% of Nonbo) +| Nonbond force 0.08 (80.13% of Force) +| Bond/Angle/Dihedral 0.02 (19.19% of Force) +| Other 0.00 ( 0.67% of Force) +| Force time 0.10 (100.0% of Runmd) +| Runmd Time 0.10 (58.88% of Total) +| Other 0.07 (40.94% of Total) +| Total time 0.17 (100.0% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 06:55:52.216 on 06/25/2009 +| Setup done at 06:55:52.219 on 06/25/2009 +| Run done at 06:55:52.385 on 06/25/2009 +| wallclock() was called 9008 times diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand-minimized.crd b/src/data/T4-lysozyme-L99A-implicit/ligand-minimized.crd new file mode 100644 index 000000000..7119b5ced --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand-minimized.crd @@ -0,0 +1,11 @@ +TMP + 18 + 41.2506341 44.5829071 18.4814949 41.7514581 45.4652339 19.4402370 + 41.8240024 44.5541019 17.2093377 40.0855471 43.6663962 18.8130063 + 42.8186206 46.3076822 19.1308184 42.8917173 45.3960886 16.9002376 + 43.3954751 46.2750447 17.8600547 44.5560551 47.1933640 17.5180060 + 41.3098985 45.5007874 20.4358404 41.4379328 43.8728260 16.4515701 + 40.2500025 42.6683988 18.3996847 39.9572692 43.5666519 19.8935662 + 39.1585120 44.0639690 18.3934685 43.1996811 46.9923691 19.8878713 + 43.3309679 45.3655122 15.9034935 45.3102348 46.6606594 16.9339323 + 44.2055522 48.0457317 16.9314985 45.0374393 47.5742760 18.4218820 diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand-testenergy.sander.out b/src/data/T4-lysozyme-L99A-implicit/ligand-testenergy.sander.out new file mode 100644 index 000000000..7987af049 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand-testenergy.sander.out @@ -0,0 +1,156 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 07:23:53 + [-O]verwriting output + +File Assignments: +| MDIN: testenergy.sander.in +| MDOUT: ligand-testenergy.sander.out +|INPCRD: ligand-minimized.crd +| PARM: ligand.prmtop +|RESTRT: ligand-testenergy.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Single-point energy evaluation + &cntrl + nstlim = 0, dt=0.002, + ntb=0, + igb=2, cut=999.0, rgbmax=999.0, + ntt=3, tempi=300.0, temp0=300., gamma_ln=95., + ntc=2, ntf=2, tol=0.00000001, + &end + + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 18 NTYPES = 4 NBONH = 10 MBONA = 8 + NTHETH = 20 MTHETA = 10 NPHIH = 30 MPHIA = 12 + NHPARM = 0 NPARM = 0 NNB = 85 NRES = 1 + NBONA = 8 NTHETA = 10 NPHIA = 12 NUMBND = 4 + NUMANG = 5 NPTRA = 3 NATYP = 4 NPHB = 0 + IFBOX = 0 NMXRS = 18 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 1047 +| Hollerith 111 +| Integer 20774 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 89 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + +TMP + +General flags: + imin = 0, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 2, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Molecular dynamics: + nstlim = 0, nscm = 1000, nrespa = 1 + t = 0.00000, dt = 0.00200, vlimit = 20.00000 + +Langevin dynamics temperature regulation: + ig = 71277 + temp0 = 300.00000, tempi = 300.00000, gamma_ln= 95.00000 + +SHAKE: + ntc = 2, jfastw = 0 + tol = 0.00000 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + +TMP + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + NSTEP = 0 TIME(PS) = 0.000 TEMP(K) = 408.15 PRESS = 0.0 + Etot = 13.4895 EKtot = 17.8435 EPtot = -4.3539 + BOND = 0.2231 ANGLE = 0.0842 DIHED = 0.0018 + 1-4 NB = 4.4957 1-4 EEL = -8.0674 VDWAALS = -0.5186 + EELEC = 3.3411 EGB = -3.9138 RESTRAINT = 0.0000 + ------------------------------------------------------------------------------ + + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Read coords time 0.00 ( 8.50% of Total) +| Fast Water setup 0.00 ( 0.32% of Total) +| Calc gb radii 0.00 (36.96% of Gen B) +| Calc gb diag 0.00 (33.69% of Gen B) +| Calc gb off-diag 0.00 (26.63% of Gen B) +| Other 0.00 ( 2.72% of Gen B) +| Gen Born time 0.00 (100.0% of Nonbo) +| Nonbond force 0.00 (62.16% of Force) +| Bond/Angle/Dihedral 0.00 (35.48% of Force) +| Other 0.00 ( 2.36% of Force) +| Force time 0.00 (45.19% of Runmd) +| Other 0.00 (54.81% of Runmd) +| Runmd Time 0.00 (17.35% of Total) +| Other 0.00 (73.83% of Total) +| Total time 0.00 (97.80% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 07:23:53.875 on 06/25/2009 +| Setup done at 07:23:53.878 on 06/25/2009 +| Run done at 07:23:53.879 on 06/25/2009 +| wallclock() was called 28 times diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.crd b/src/data/T4-lysozyme-L99A-implicit/ligand.crd new file mode 100644 index 000000000..006ca675a --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.crd @@ -0,0 +1,11 @@ +TMP + 18 + 41.2490000 44.5850000 18.4770000 41.7650000 45.4480000 19.4520000 + 41.8040000 44.5680000 17.1930000 40.0930000 43.6730000 18.8120000 + 42.8370000 46.2930000 19.1410000 42.8760000 45.4140000 16.8820000 + 43.3920000 46.2760000 17.8570000 44.5480000 47.1880000 17.5220000 + 41.3440000 45.4610000 20.4260000 41.4130000 43.9140000 16.4530000 + 40.3170000 42.6530000 18.4650000 39.9380000 43.6640000 19.9020000 + 39.1820000 44.0380000 18.3140000 43.2290000 46.9470000 19.8810000 + 43.2970000 45.4010000 15.9080000 45.3340000 46.6120000 17.0120000 + 44.1990000 47.9960000 16.8610000 44.9540000 47.6210000 18.4480000 diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.frcmod b/src/data/T4-lysozyme-L99A-implicit/ligand.frcmod new file mode 100644 index 000000000..fea0b873d --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.frcmod @@ -0,0 +1,16 @@ +remark goes here +MASS + +BOND + +ANGLE + +DIHE + +IMPROPER +ca-ca-ca-ha 1.1 180.0 2.0 General improper torsional angle (2 general atom types) + +NONBON + + + diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.mol2 b/src/data/T4-lysozyme-L99A-implicit/ligand.mol2 new file mode 100644 index 000000000..3ec9b0dc8 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.mol2 @@ -0,0 +1,47 @@ +@MOLECULE +TMP + 18 18 1 0 0 +SMALL +bcc + + +@ATOM + 1 C1 41.2490 44.5850 18.4770 ca 1 TMP -0.0819 + 2 C2 41.7650 45.4480 19.4520 ca 1 TMP -0.1267 + 3 C3 41.8040 44.5680 17.1930 ca 1 TMP -0.1278 + 4 C4 40.0930 43.6730 18.8120 c3 1 TMP -0.0527 + 5 C5 42.8370 46.2930 19.1410 ca 1 TMP -0.1267 + 6 C6 42.8760 45.4140 16.8820 ca 1 TMP -0.1278 + 7 C7 43.3920 46.2760 17.8570 ca 1 TMP -0.0819 + 8 C8 44.5480 47.1880 17.5220 c3 1 TMP -0.0527 + 9 H1 41.3440 45.4610 20.4260 ha 1 TMP 0.1298 + 10 H2 41.4130 43.9140 16.4530 ha 1 TMP 0.1297 + 11 H3 40.3170 42.6530 18.4650 hc 1 TMP 0.0435 + 12 H4 39.9380 43.6640 19.9020 hc 1 TMP 0.0410 + 13 H5 39.1820 44.0380 18.3140 hc 1 TMP 0.0452 + 14 H6 43.2290 46.9470 19.8810 ha 1 TMP 0.1298 + 15 H7 43.2970 45.4010 15.9080 ha 1 TMP 0.1297 + 16 H8 45.3340 46.6120 17.0120 hc 1 TMP 0.0435 + 17 H9 44.1990 47.9960 16.8610 hc 1 TMP 0.0452 + 18 H10 44.9540 47.6210 18.4480 hc 1 TMP 0.0410 +@BOND + 1 1 2 ar + 2 1 3 ar + 3 1 4 1 + 4 2 5 ar + 5 2 9 1 + 6 3 6 ar + 7 3 10 1 + 8 4 11 1 + 9 4 12 1 + 10 4 13 1 + 11 5 7 ar + 12 5 14 1 + 13 6 7 ar + 14 6 15 1 + 15 7 8 1 + 16 8 16 1 + 17 8 17 1 + 18 8 18 1 +@SUBSTRUCTURE + 1 TMP 1 TEMP 0 **** **** 0 ROOT diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.pdb b/src/data/T4-lysozyme-L99A-implicit/ligand.pdb new file mode 100644 index 000000000..4d7ec3a79 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.pdb @@ -0,0 +1,21 @@ +REMARK TMP +ATOM 1 C1 TMP 1 41.249 44.585 18.477 +ATOM 2 C2 TMP 1 41.765 45.448 19.452 +ATOM 3 C3 TMP 1 41.804 44.568 17.193 +ATOM 4 C4 TMP 1 40.093 43.673 18.812 +ATOM 5 C5 TMP 1 42.837 46.293 19.141 +ATOM 6 C6 TMP 1 42.876 45.414 16.882 +ATOM 7 C7 TMP 1 43.392 46.276 17.857 +ATOM 8 C8 TMP 1 44.548 47.188 17.522 +ATOM 9 H1 TMP 1 41.344 45.461 20.426 +ATOM 10 H2 TMP 1 41.413 43.914 16.453 +ATOM 11 H3 TMP 1 40.317 42.653 18.465 +ATOM 12 H4 TMP 1 39.938 43.664 19.902 +ATOM 13 H5 TMP 1 39.182 44.038 18.314 +ATOM 14 H6 TMP 1 43.229 46.947 19.881 +ATOM 15 H7 TMP 1 43.297 45.401 15.908 +ATOM 16 H8 TMP 1 45.334 46.612 17.012 +ATOM 17 H9 TMP 1 44.199 47.996 16.861 +ATOM 18 H10 TMP 1 44.954 47.621 18.448 +TER +END diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.prmtop b/src/data/T4-lysozyme-L99A-implicit/ligand.prmtop new file mode 100644 index 000000000..43012af03 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.prmtop @@ -0,0 +1,175 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 06/25/09 06:55:51 +%FLAG TITLE +%FORMAT(20a4) +TMP +%FLAG POINTERS +%FORMAT(10I8) + 18 4 10 8 20 10 30 12 0 0 + 85 1 8 10 12 4 5 3 4 0 + 0 0 0 0 0 0 0 0 18 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +C1 C2 C3 C4 C5 C6 C7 C8 H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 +%FLAG CHARGE +%FORMAT(5E16.8) + -1.49240637E+00 -2.30876541E+00 -2.32880994E+00 -9.60315210E-01 -2.30876541E+00 + -2.32880994E+00 -1.49240637E+00 -9.60315210E-01 2.36525454E+00 2.36343231E+00 + 7.92670050E-01 7.47114300E-01 8.23647960E-01 2.36525454E+00 2.36343231E+00 + 7.92670050E-01 8.23647960E-01 7.47114300E-01 +%FLAG MASS +%FORMAT(5E16.8) + 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.20100000E+01 + 1.20100000E+01 1.20100000E+01 1.20100000E+01 1.00800000E+00 1.00800000E+00 + 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.00800000E+00 + 1.00800000E+00 1.00800000E+00 1.00800000E+00 +%FLAG ATOM_TYPE_INDEX +%FORMAT(10I8) + 1 1 1 2 1 1 1 2 3 3 + 4 4 4 3 3 4 4 4 +%FLAG NUMBER_EXCLUDED_ATOMS +%FORMAT(10I8) + 13 12 11 7 9 8 8 5 1 1 + 2 1 1 1 1 2 1 1 +%FLAG NONBONDED_PARM_INDEX +%FORMAT(10I8) + 1 2 4 7 2 3 5 8 4 5 + 6 9 7 8 9 10 +%FLAG RESIDUE_LABEL +%FORMAT(20a4) +TMP +%FLAG RESIDUE_POINTER +%FORMAT(10I8) + 1 +%FLAG BOND_FORCE_CONSTANT +%FORMAT(5E16.8) + 4.78400000E+02 3.23500000E+02 3.44300000E+02 3.37300000E+02 +%FLAG BOND_EQUIL_VALUE +%FORMAT(5E16.8) + 1.38700000E+00 1.51300000E+00 1.08700000E+00 1.09200000E+00 +%FLAG ANGLE_FORCE_CONSTANT +%FORMAT(5E16.8) + 6.72000000E+01 4.85000000E+01 4.70000000E+01 6.38000000E+01 3.94000000E+01 +%FLAG ANGLE_EQUIL_VALUE +%FORMAT(5E16.8) + 2.09387240E+00 2.09457053E+00 1.92248100E+00 2.10539158E+00 1.89106506E+00 +%FLAG DIHEDRAL_FORCE_CONSTANT +%FORMAT(5E16.8) + 3.62500000E+00 0.00000000E+00 1.10000000E+00 +%FLAG DIHEDRAL_PERIODICITY +%FORMAT(5E16.8) + 2.00000000E+00 2.00000000E+00 2.00000000E+00 +%FLAG DIHEDRAL_PHASE +%FORMAT(5E16.8) + 3.14159400E+00 0.00000000E+00 3.14159400E+00 +%FLAG SOLTY +%FORMAT(5E16.8) + 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 +%FLAG LENNARD_JONES_ACOEF +%FORMAT(5E16.8) + 8.19971662E+05 9.24822270E+05 1.04308023E+06 7.62451550E+04 8.59947003E+04 + 5.71629601E+03 8.61541883E+04 9.71708117E+04 6.55825601E+03 7.51607703E+03 +%FLAG LENNARD_JONES_BCOEF +%FORMAT(5E16.8) + 5.31102864E+02 5.99015525E+02 6.75612247E+02 1.04660679E+02 1.18043746E+02 + 1.85196588E+01 1.12529845E+02 1.26919150E+02 2.00642027E+01 2.17257828E+01 +%FLAG BONDS_INC_HYDROGEN +%FORMAT(10I8) + 3 24 3 6 27 3 9 30 4 9 + 33 4 9 36 4 12 39 3 15 42 + 3 21 45 4 21 48 4 21 51 4 +%FLAG BONDS_WITHOUT_HYDROGEN +%FORMAT(10I8) + 0 3 1 0 6 1 0 9 2 3 + 12 1 6 15 1 12 18 1 15 18 + 1 18 21 2 +%FLAG ANGLES_INC_HYDROGEN +%FORMAT(10I8) + 0 3 24 2 0 6 27 2 0 9 + 30 3 0 9 33 3 0 9 36 3 + 3 12 39 2 6 15 42 2 12 3 + 24 2 15 6 27 2 18 12 39 2 + 18 15 42 2 18 21 45 3 18 21 + 48 3 18 21 51 3 30 9 33 5 + 30 9 36 5 33 9 36 5 45 21 + 48 5 45 21 51 5 48 21 51 5 +%FLAG ANGLES_WITHOUT_HYDROGEN +%FORMAT(10I8) + 0 3 12 1 0 6 15 1 3 0 + 6 1 3 0 9 4 3 12 18 1 + 6 0 9 4 6 15 18 1 12 18 + 15 1 12 18 21 4 15 18 21 4 +%FLAG DIHEDRALS_INC_HYDROGEN +%FORMAT(10I8) + 0 3 12 39 1 0 6 15 42 1 + 3 0 6 27 1 3 0 9 30 2 + 3 0 9 33 2 3 0 9 36 2 + 6 0 3 24 1 6 0 9 30 2 + 6 0 9 33 2 6 0 9 36 2 + 9 0 3 24 1 9 0 6 27 1 + 12 18 15 42 1 12 18 21 45 2 + 12 18 21 48 2 12 18 21 51 2 + 15 18 12 39 1 15 18 21 45 2 + 15 18 21 48 2 15 18 21 51 2 + 18 12 3 24 1 18 15 6 27 1 + 21 18 12 39 1 21 18 15 42 1 + 24 3 12 39 1 27 6 15 42 1 + 0 12 -3 -24 3 0 15 -6 -27 3 + 3 18 -12 -39 3 6 18 -15 -42 3 +%FLAG DIHEDRALS_WITHOUT_HYDROGEN +%FORMAT(10I8) + 0 3 12 18 1 0 6 -15 18 1 + 3 0 6 15 1 3 12 -18 15 1 + 3 12 18 21 1 6 0 3 12 1 + 6 15 -18 12 1 6 15 18 21 1 + 9 0 3 12 1 9 0 6 15 1 + 9 0 -6 -3 3 21 12 -18 -15 3 +%FLAG EXCLUDED_ATOMS_LIST +%FORMAT(10I8) + 2 3 4 5 6 7 9 10 11 12 + 13 14 15 3 4 5 6 7 8 9 + 10 11 12 13 14 4 5 6 7 8 + 9 10 11 12 13 15 5 6 9 10 + 11 12 13 6 7 8 9 14 15 16 + 17 18 7 8 10 14 15 16 17 18 + 8 9 10 14 15 16 17 18 14 15 + 16 17 18 14 15 12 13 13 0 0 + 0 17 18 18 0 +%FLAG HBOND_ACOEF +%FORMAT(5E16.8) + +%FLAG HBOND_BCOEF +%FORMAT(5E16.8) + +%FLAG HBCUT +%FORMAT(5E16.8) + +%FLAG AMBER_ATOM_TYPE +%FORMAT(20a4) +ca ca ca c3 ca ca ca c3 ha ha hc hc hc ha ha hc hc hc +%FLAG TREE_CHAIN_CLASSIFICATION +%FORMAT(20a4) +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +%FLAG JOIN_ARRAY +%FORMAT(10I8) + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 +%FLAG IROTAT +%FORMAT(10I8) + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 +%FLAG RADIUS_SET +%FORMAT(1a80) +H(N)-modified Bondi radii (mbondi2) +%FLAG RADII +%FORMAT(5E16.8) + 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.70000000E+00 + 1.70000000E+00 1.70000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 + 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 + 1.20000000E+00 1.20000000E+00 1.20000000E+00 +%FLAG SCREEN +%FORMAT(5E16.8) + 7.20000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 7.20000000E-01 + 7.20000000E-01 7.20000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 diff --git a/src/data/T4-lysozyme-L99A-implicit/ligand.tripos.mol2 b/src/data/T4-lysozyme-L99A-implicit/ligand.tripos.mol2 new file mode 100644 index 000000000..8bac61f3a --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/ligand.tripos.mol2 @@ -0,0 +1,44 @@ +@MOLECULE +***** + 18 18 0 0 0 +SMALL +NO_CHARGES + +@ATOM + 1 C1 41.2490 44.5850 18.4770 C.ar 1 TMP1 0.0000 + 2 C2 41.7650 45.4480 19.4520 C.ar 1 TMP1 0.0000 + 3 C3 41.8040 44.5680 17.1930 C.ar 1 TMP1 0.0000 + 4 C4 40.0930 43.6730 18.8120 C.3 1 TMP1 0.0000 + 5 C5 42.8370 46.2930 19.1410 C.ar 1 TMP1 0.0000 + 6 C6 42.8760 45.4140 16.8820 C.ar 1 TMP1 0.0000 + 7 C7 43.3920 46.2760 17.8570 C.ar 1 TMP1 0.0000 + 8 C8 44.5480 47.1880 17.5220 C.3 1 TMP1 0.0000 + 9 H1 41.3440 45.4610 20.4260 H 1 TMP1 0.0000 + 10 H2 41.4130 43.9140 16.4530 H 1 TMP1 0.0000 + 11 H3 40.3170 42.6530 18.4650 H 1 TMP1 0.0000 + 12 H4 39.9380 43.6640 19.9020 H 1 TMP1 0.0000 + 13 H5 39.1820 44.0380 18.3140 H 1 TMP1 0.0000 + 14 H6 43.2290 46.9470 19.8810 H 1 TMP1 0.0000 + 15 H7 43.2970 45.4010 15.9080 H 1 TMP1 0.0000 + 16 H8 45.3340 46.6120 17.0120 H 1 TMP1 0.0000 + 17 H9 44.1990 47.9960 16.8610 H 1 TMP1 0.0000 + 18 H10 44.9540 47.6210 18.4480 H 1 TMP1 0.0000 +@BOND + 1 6 15 1 + 2 3 10 1 + 3 8 17 1 + 4 3 6 ar + 5 6 7 ar + 6 8 16 1 + 7 1 3 ar + 8 7 8 1 + 9 8 18 1 + 10 5 7 ar + 11 4 13 1 + 12 4 11 1 + 13 1 4 1 + 14 1 2 ar + 15 4 12 1 + 16 2 5 ar + 17 5 14 1 + 18 2 9 1 diff --git a/src/data/T4-lysozyme-L99A-implicit/mdinfo b/src/data/T4-lysozyme-L99A-implicit/mdinfo new file mode 100644 index 000000000..a73bae7cd --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/mdinfo @@ -0,0 +1,6 @@ + + NSTEP = 0 TIME(PS) = 0.000 TEMP(K) = 363.43 PRESS = 0.0 + Etot = -5719.7918 EKtot = 2361.5923 EPtot = -8081.3841 + BOND = 99.5327 ANGLE = 256.8987 DIHED = 750.1770 + 1-4 NB = 482.5382 1-4 EEL = 5262.0248 VDWAALS = -1450.7546 + EELEC = -10956.1393 EGB = -2525.6615 RESTRAINT = 0.0000 diff --git a/src/data/T4-lysozyme-L99A-implicit/min.sander.in b/src/data/T4-lysozyme-L99A-implicit/min.sander.in new file mode 100644 index 000000000..e33ee3471 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/min.sander.in @@ -0,0 +1,8 @@ +Minimization + &cntrl + imin = 1, maxcyc = 500, ncyc = 50, + ntb = 0, + igb=2, cut=999.0, rgbmax=999.0, + ntpr = 1, + &end + diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor-min.sander.out b/src/data/T4-lysozyme-L99A-implicit/receptor-min.sander.out new file mode 100644 index 000000000..f8a853552 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/receptor-min.sander.out @@ -0,0 +1,4148 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 06:55:52 + [-O]verwriting output + +File Assignments: +| MDIN: min.sander.in +| MDOUT: receptor-min.sander.out +|INPCRD: receptor.crd +| PARM: receptor.prmtop +|RESTRT: receptor-minimized.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Minimization + &cntrl + imin = 1, maxcyc = 500, ncyc = 50, + ntb = 0, + igb=2, cut=999.0, rgbmax=999.0, + ntpr = 1, + &end + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 2603 NTYPES = 14 NBONH = 1313 MBONA = 1310 + NTHETH = 2969 MTHETA = 1765 NPHIH = 5312 MPHIA = 3079 + NHPARM = 0 NPARM = 0 NNB = 14304 NRES = 162 + NBONA = 1310 NTHETA = 1765 NPHIA = 3079 NUMBND = 39 + NUMANG = 86 NPTRA = 29 NATYP = 26 NPHB = 0 + IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 166993 +| Hollerith 15782 +| Integer 146565 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 1938 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + + + +General flags: + imin = 1, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 1, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 1, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Energy minimization: + maxcyc = 500, ncyc = 50, ntmin = 1 + dx0 = 0.01000, drms = 0.00010 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + + + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 1 -6.3948E+03 1.5939E+01 1.0580E+02 C 1206 + + BOND = 502.4959 ANGLE = 774.1680 DIHED = 1010.0278 + VDWAALS = -1275.3928 EEL = -10605.1853 EGB = -2605.9351 + 1-4 VDW = 581.5276 1-4 EEL = 5223.4476 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 2 -6.4116E+03 1.5663E+01 1.0313E+02 C 1206 + + BOND = 491.4451 ANGLE = 770.1976 DIHED = 1009.1686 + VDWAALS = -1275.7666 EEL = -10605.5579 EGB = -2605.8598 + 1-4 VDW = 581.2568 1-4 EEL = 5223.5145 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 3 -6.4313E+03 1.5334E+01 9.9968E+01 C 1206 + + BOND = 478.5206 ANGLE = 765.4943 DIHED = 1008.1310 + VDWAALS = -1276.2187 EEL = -10606.0050 EGB = -2605.7703 + 1-4 VDW = 580.9310 1-4 EEL = 5223.5941 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 4 -6.4544E+03 1.4944E+01 9.6213E+01 C 1206 + + BOND = 463.4911 ANGLE = 759.9375 DIHED = 1006.8764 + VDWAALS = -1276.7662 EEL = -10606.5413 EGB = -2605.6640 + 1-4 VDW = 580.5388 1-4 EEL = 5223.6889 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 5 -6.4814E+03 1.4483E+01 9.1775E+01 C 1206 + + BOND = 446.1384 ANGLE = 753.3933 DIHED = 1005.3570 + VDWAALS = -1277.4310 EEL = -10607.1848 EGB = -2605.5381 + 1-4 VDW = 580.0661 1-4 EEL = 5223.8015 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 6 -6.5126E+03 1.3940E+01 8.6550E+01 C 1206 + + BOND = 426.2832 ANGLE = 745.7156 DIHED = 1003.5134 + VDWAALS = -1278.2401 EEL = -10607.9565 EGB = -2605.3895 + 1-4 VDW = 579.4959 1-4 EEL = 5223.9348 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 7 -6.5486E+03 1.3305E+01 8.0433E+01 C 1206 + + BOND = 403.8234 ANGLE = 736.7495 DIHED = 1001.2713 + VDWAALS = -1279.2281 EEL = -10608.8818 EGB = -2605.2149 + 1-4 VDW = 578.8068 1-4 EEL = 5224.0919 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 8 -6.5895E+03 1.2567E+01 7.3323E+01 C 1206 + + BOND = 378.7882 ANGLE = 726.3365 DIHED = 998.5372 + VDWAALS = -1280.4393 EEL = -10609.9904 EGB = -2605.0105 + 1-4 VDW = 577.9721 1-4 EEL = 5224.2760 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 9 -6.6356E+03 1.1720E+01 6.7385E+01 CA 55 + + BOND = 351.4106 ANGLE = 714.3215 DIHED = 995.1927 + VDWAALS = -1281.9317 EEL = -10611.3172 EGB = -2604.7730 + 1-4 VDW = 576.9582 1-4 EEL = 5224.4899 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 10 -6.6869E+03 1.0762E+01 6.1983E+01 CA 55 + + BOND = 322.2132 ANGLE = 700.5631 DIHED = 991.0880 + VDWAALS = -1283.7813 EEL = -10612.9023 EGB = -2604.4994 + 1-4 VDW = 575.7217 1-4 EEL = 5224.7352 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 11 -6.7428E+03 9.7065E+00 5.5624E+01 CA 55 + + BOND = 292.0919 ANGLE = 684.9429 DIHED = 986.0343 + VDWAALS = -1286.0894 EEL = -10614.7895 EGB = -2604.1882 + 1-4 VDW = 574.2062 1-4 EEL = 5225.0103 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 12 -6.8027E+03 8.5859E+00 4.8243E+01 CA 55 + + BOND = 262.3464 ANGLE = 667.3716 DIHED = 979.8021 + VDWAALS = -1288.9895 EEL = -10617.0230 EGB = -2603.8408 + 1-4 VDW = 572.3381 1-4 EEL = 5225.3075 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 13 -6.8656E+03 7.4625E+00 3.9898E+01 CA 55 + + BOND = 234.5551 ANGLE = 647.7843 DIHED = 972.1360 + VDWAALS = -1292.6522 EEL = -10619.6376 EGB = -2603.4642 + 1-4 VDW = 570.0229 1-4 EEL = 5225.6068 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 14 -6.9309E+03 6.4238E+00 3.0907E+01 CA 55 + + BOND = 210.1453 ANGLE = 626.1258 DIHED = 962.8213 + VDWAALS = -1297.2717 EEL = -10622.6412 EGB = -2603.0748 + 1-4 VDW = 567.1486 1-4 EEL = 5225.8661 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 15 -6.9982E+03 5.5408E+00 2.7619E+01 HB3 970 + + BOND = 189.6719 ANGLE = 602.3512 DIHED = 951.8381 + VDWAALS = -1303.0115 EEL = -10625.9990 EGB = -2602.7006 + 1-4 VDW = 563.6054 1-4 EEL = 5226.0123 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 16 -7.0682E+03 4.8103E+00 2.7587E+01 HB3 970 + + BOND = 172.4561 ANGLE = 576.4824 DIHED = 939.5432 + VDWAALS = -1309.9128 EEL = -10629.6667 EGB = -2602.3748 + 1-4 VDW = 559.3165 1-4 EEL = 5225.9467 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 17 -7.1412E+03 4.1708E+00 2.6366E+01 HB3 970 + + BOND = 157.4283 ANGLE = 548.6705 DIHED = 926.6236 + VDWAALS = -1317.8689 EEL = -10633.7132 EGB = -2602.1166 + 1-4 VDW = 554.2288 1-4 EEL = 5225.5729 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 18 -7.2167E+03 3.5789E+00 2.3913E+01 HB3 970 + + BOND = 144.2466 ANGLE = 519.1961 DIHED = 913.7589 + VDWAALS = -1326.7083 EEL = -10638.3790 EGB = -2601.9253 + 1-4 VDW = 548.2618 1-4 EEL = 5224.8061 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 19 -7.2940E+03 3.0303E+00 2.0595E+01 HB3 970 + + BOND = 133.3516 ANGLE = 488.4136 DIHED = 901.2880 + VDWAALS = -1336.2235 EEL = -10643.9344 EGB = -2601.7810 + 1-4 VDW = 541.3306 1-4 EEL = 5223.5474 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 20 -7.3720E+03 2.5327E+00 1.6916E+01 HB3 970 + + BOND = 125.4829 ANGLE = 456.7360 DIHED = 888.9981 + VDWAALS = -1346.0917 EEL = -10650.7368 EGB = -2601.5853 + 1-4 VDW = 533.4626 1-4 EEL = 5221.7647 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 21 -7.4495E+03 2.0847E+00 1.3108E+01 HB3 970 + + BOND = 120.7768 ANGLE = 425.1873 DIHED = 876.2559 + VDWAALS = -1355.9238 EEL = -10659.2752 EGB = -2601.2470 + 1-4 VDW = 524.9062 1-4 EEL = 5219.7768 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 22 -7.5247E+03 1.7962E+00 1.9400E+01 CG 2018 + + BOND = 118.9701 ANGLE = 395.5319 DIHED = 862.5290 + VDWAALS = -1365.3849 EEL = -10670.8128 EGB = -2600.2954 + 1-4 VDW = 516.1250 1-4 EEL = 5218.6637 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 23 -7.5373E+03 7.0964E+00 2.1756E+02 CG 2018 + + BOND = 166.3409 ANGLE = 377.9096 DIHED = 848.9952 + VDWAALS = -1374.7244 EEL = -10682.3355 EGB = -2601.1065 + 1-4 VDW = 508.6315 1-4 EEL = 5219.0259 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 24 -7.2245E+03 1.8542E+01 5.9751E+02 CG 2018 + + BOND = 457.0381 ANGLE = 410.0528 DIHED = 845.5013 + VDWAALS = -1373.5580 EEL = -10696.2103 EGB = -2595.9803 + 1-4 VDW = 506.8541 1-4 EEL = 5221.7988 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 25 -7.5756E+03 5.5960E+00 1.7279E+02 CG 2018 + + BOND = 147.2121 ANGLE = 370.4378 DIHED = 844.9567 + VDWAALS = -1375.8743 EEL = -10691.9224 EGB = -2597.7709 + 1-4 VDW = 506.4413 1-4 EEL = 5220.9486 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 26 -7.5161E+03 9.7082E+00 3.2346E+02 CG 2018 + + BOND = 209.0269 ANGLE = 373.4770 DIHED = 843.1733 + VDWAALS = -1378.5722 EEL = -10688.3532 EGB = -2601.0433 + 1-4 VDW = 505.9299 1-4 EEL = 5220.2704 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 27 -7.6183E+03 2.2416E+00 5.2039E+01 CG 2018 + + BOND = 120.3823 ANGLE = 362.2346 DIHED = 842.4095 + VDWAALS = -1378.3138 EEL = -10692.6058 EGB = -2598.8711 + 1-4 VDW = 505.3192 1-4 EEL = 5221.0996 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 28 -7.5987E+03 5.8157E+00 1.7801E+02 CG 2018 + + BOND = 149.7154 ANGLE = 361.7802 DIHED = 839.2438 + VDWAALS = -1379.2616 EEL = -10700.0342 EGB = -2596.4809 + 1-4 VDW = 503.7353 1-4 EEL = 5222.5867 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 29 -7.6366E+03 1.6939E+00 3.0536E+01 CG 2018 + + BOND = 118.4950 ANGLE = 356.3894 DIHED = 838.7939 + VDWAALS = -1380.0969 EEL = -10698.7715 EGB = -2597.3581 + 1-4 VDW = 503.5647 1-4 EEL = 5222.3889 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 30 -7.6404E+03 2.7899E+00 7.2292E+01 CG 2018 + + BOND = 122.9122 ANGLE = 354.1481 DIHED = 836.8437 + VDWAALS = -1381.7393 EEL = -10700.2953 EGB = -2597.8260 + 1-4 VDW = 502.7572 1-4 EEL = 5222.8258 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 31 -7.6415E+03 3.5825E+00 1.0991E+02 CG 2018 + + BOND = 128.3188 ANGLE = 352.7702 DIHED = 835.2230 + VDWAALS = -1382.0286 EEL = -10705.3517 EGB = -2596.1413 + 1-4 VDW = 501.8921 1-4 EEL = 5223.8179 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 32 -7.6401E+03 4.4328E+00 1.4655E+02 CG 2018 + + BOND = 134.4724 ANGLE = 350.9726 DIHED = 834.0989 + VDWAALS = -1383.5870 EEL = -10703.6121 EGB = -2597.6884 + 1-4 VDW = 501.5748 1-4 EEL = 5223.6535 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 33 -7.6628E+03 1.1204E+00 9.5875E+00 HG1 2261 + + BOND = 116.3023 ANGLE = 348.4373 DIHED = 833.5431 + VDWAALS = -1383.5395 EEL = -10706.3538 EGB = -2596.6058 + 1-4 VDW = 501.2125 1-4 EEL = 5224.1972 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 34 -7.6719E+03 1.5239E+00 2.7749E+01 CG 2018 + + BOND = 117.6515 ANGLE = 345.3132 DIHED = 831.2028 + VDWAALS = -1384.8375 EEL = -10710.9698 EGB = -2595.6745 + 1-4 VDW = 500.1299 1-4 EEL = 5225.2380 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 35 -7.6718E+03 3.1154E+00 8.1413E+01 CG 2018 + + BOND = 124.1070 ANGLE = 343.7777 DIHED = 829.4976 + VDWAALS = -1386.3712 EEL = -10711.8470 EGB = -2596.2241 + 1-4 VDW = 499.5472 1-4 EEL = 5225.6996 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 36 -7.6839E+03 1.0460E+00 9.0853E+00 HG1 2261 + + BOND = 115.8867 ANGLE = 341.9130 DIHED = 828.9945 + VDWAALS = -1386.4117 EEL = -10714.2333 EGB = -2595.4476 + 1-4 VDW = 499.2079 1-4 EEL = 5226.1437 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 37 -7.6905E+03 1.1796E+00 8.9583E+00 HG1 2261 + + BOND = 116.4398 ANGLE = 339.7793 DIHED = 827.4553 + VDWAALS = -1387.3186 EEL = -10717.3989 EGB = -2594.8272 + 1-4 VDW = 498.5243 1-4 EEL = 5226.8917 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 38 -7.6954E+03 1.7240E+00 1.5710E+01 CG 2018 + + BOND = 117.2849 ANGLE = 338.0989 DIHED = 826.0828 + VDWAALS = -1388.4137 EEL = -10719.1367 EGB = -2594.8110 + 1-4 VDW = 498.0263 1-4 EEL = 5227.4859 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 39 -7.6969E+03 2.4845E+00 3.4240E+01 CG 2018 + + BOND = 121.6792 ANGLE = 337.2520 DIHED = 824.7828 + VDWAALS = -1388.9230 EEL = -10723.6098 EGB = -2593.7832 + 1-4 VDW = 497.3315 1-4 EEL = 5228.3901 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 40 -7.6982E+03 2.9662E+00 5.2251E+01 CG 2018 + + BOND = 122.4214 ANGLE = 335.9897 DIHED = 824.0558 + VDWAALS = -1389.9066 EEL = -10722.0464 EGB = -2594.4219 + 1-4 VDW = 497.3046 1-4 EEL = 5228.3649 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 41 -7.6962E+03 3.7761E+00 8.1776E+01 CG 2018 + + BOND = 129.7246 ANGLE = 336.4459 DIHED = 823.0041 + VDWAALS = -1389.9766 EEL = -10728.4844 EGB = -2593.0093 + 1-4 VDW = 496.5133 1-4 EEL = 5229.5691 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 42 -7.7136E+03 9.4359E-01 8.2754E+00 HG1 2261 + + BOND = 115.4157 ANGLE = 333.0023 DIHED = 822.7345 + VDWAALS = -1390.5091 EEL = -10726.7178 EGB = -2593.4820 + 1-4 VDW = 496.5671 1-4 EEL = 5229.3671 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 43 -7.7196E+03 1.4348E+00 1.2647E+01 CD2 2535 + + BOND = 115.9541 ANGLE = 330.9004 DIHED = 821.2513 + VDWAALS = -1391.6420 EEL = -10729.2072 EGB = -2593.0741 + 1-4 VDW = 496.0487 1-4 EEL = 5230.1367 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 44 -7.7185E+03 2.7291E+00 3.0345E+01 CG 2521 + + BOND = 122.7023 ANGLE = 330.9162 DIHED = 819.9765 + VDWAALS = -1392.2377 EEL = -10733.9584 EGB = -2592.4215 + 1-4 VDW = 495.3596 1-4 EEL = 5231.1883 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 45 -7.7282E+03 9.0230E-01 7.8190E+00 HG1 2261 + + BOND = 115.0205 ANGLE = 328.6900 DIHED = 819.7559 + VDWAALS = -1392.5697 EEL = -10733.2001 EGB = -2592.4160 + 1-4 VDW = 495.3849 1-4 EEL = 5231.1219 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 46 -7.7327E+03 1.1044E+00 7.4115E+00 HG1 2261 + + BOND = 115.0037 ANGLE = 327.2472 DIHED = 818.7954 + VDWAALS = -1393.3413 EEL = -10735.0234 EGB = -2592.1435 + 1-4 VDW = 495.0587 1-4 EEL = 5231.6972 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 47 -7.7354E+03 1.6769E+00 1.5020E+01 C 2453 + + BOND = 117.2641 ANGLE = 326.4652 DIHED = 817.7556 + VDWAALS = -1393.9047 EEL = -10738.4287 EGB = -2591.5934 + 1-4 VDW = 494.5692 1-4 EEL = 5232.4891 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 48 -7.7366E+03 2.1692E+00 2.1576E+01 C 146 + + BOND = 117.9240 ANGLE = 325.3104 DIHED = 817.1752 + VDWAALS = -1394.6031 EEL = -10738.1231 EGB = -2591.5002 + 1-4 VDW = 494.5486 1-4 EEL = 5232.6258 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 49 -7.7372E+03 2.6284E+00 2.9798E+01 C 146 + + BOND = 121.6327 ANGLE = 325.6331 DIHED = 816.3898 + VDWAALS = -1394.8193 EEL = -10742.5634 EGB = -2591.0746 + 1-4 VDW = 493.9853 1-4 EEL = 5233.5781 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 50 -7.7360E+03 3.2494E+00 4.1139E+01 CD2 2535 + + BOND = 123.0338 ANGLE = 324.3271 DIHED = 815.9370 + VDWAALS = -1395.5743 EEL = -10740.3102 EGB = -2590.8991 + 1-4 VDW = 494.2174 1-4 EEL = 5233.2719 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 51 -7.7494E+03 7.9436E-01 6.9281E+00 HG1 2261 + + BOND = 114.0994 ANGLE = 322.5268 DIHED = 815.6203 + VDWAALS = -1395.6158 EEL = -10742.9256 EGB = -2590.7797 + 1-4 VDW = 493.8590 1-4 EEL = 5233.8463 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 52 -7.7503E+03 7.4514E-01 6.9184E+00 HG1 2261 + + BOND = 114.0488 ANGLE = 322.2850 DIHED = 815.4454 + VDWAALS = -1395.7312 EEL = -10743.4505 EGB = -2590.6935 + 1-4 VDW = 493.7884 1-4 EEL = 5233.9808 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 53 -7.7552E+03 1.7078E+00 1.5771E+01 CZ 2447 + + BOND = 116.8882 ANGLE = 320.7454 DIHED = 813.8374 + VDWAALS = -1396.7781 EEL = -10748.3976 EGB = -2589.8885 + 1-4 VDW = 493.1482 1-4 EEL = 5235.2550 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 54 -7.7654E+03 1.6101E+00 1.4922E+01 CZ 2447 + + BOND = 116.2472 ANGLE = 317.8108 DIHED = 811.9485 + VDWAALS = -1398.1731 EEL = -10753.4087 EGB = -2588.9625 + 1-4 VDW = 492.4808 1-4 EEL = 5236.6676 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 55 -7.8301E+03 2.0875E+00 4.8983E+01 OG1 2260 + + BOND = 118.6208 ANGLE = 299.0742 DIHED = 799.9877 + VDWAALS = -1405.9933 EEL = -10798.4561 EGB = -2581.0382 + 1-4 VDW = 487.7101 1-4 EEL = 5250.0242 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 56 -7.8391E+03 3.3998E+00 1.1106E+02 OG1 2260 + + BOND = 131.2437 ANGLE = 295.1547 DIHED = 797.4991 + VDWAALS = -1406.3526 EEL = -10823.9881 EGB = -2576.9032 + 1-4 VDW = 486.0635 1-4 EEL = 5258.1823 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 57 -7.6872E+03 1.0424E+01 1.0322E+02 C 146 + + BOND = 247.5514 ANGLE = 333.3448 DIHED = 807.2377 + VDWAALS = -1392.7687 EEL = -10887.9599 EGB = -2564.5484 + 1-4 VDW = 486.2546 1-4 EEL = 5283.6783 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 58 -7.8595E+03 1.2954E+00 4.6434E+01 HG1 2261 + + BOND = 121.3004 ANGLE = 292.2477 DIHED = 797.4116 + VDWAALS = -1405.4523 EEL = -10841.2353 EGB = -2573.3328 + 1-4 VDW = 485.1314 1-4 EEL = 5264.3941 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 59 -7.8636E+03 7.6131E-01 1.5957E+01 OG1 2260 + + BOND = 117.2292 ANGLE = 291.9875 DIHED = 797.0828 + VDWAALS = -1406.5567 EEL = -10840.9252 EGB = -2572.3494 + 1-4 VDW = 485.3482 1-4 EEL = 5264.5611 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 60 -7.8639E+03 9.2162E-01 3.4914E+01 OG1 2260 + + BOND = 116.8768 ANGLE = 291.9734 DIHED = 796.9770 + VDWAALS = -1406.9180 EEL = -10840.8203 EGB = -2572.0257 + 1-4 VDW = 485.4239 1-4 EEL = 5264.6179 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 61 -7.8679E+03 7.6944E-01 2.5278E+01 OG1 2260 + + BOND = 114.2282 ANGLE = 293.2524 DIHED = 796.3871 + VDWAALS = -1408.9557 EEL = -10841.7211 EGB = -2571.6749 + 1-4 VDW = 486.0453 1-4 EEL = 5264.5851 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 62 -7.8728E+03 1.4544E+00 4.0796E+01 CB 2254 + + BOND = 111.0303 ANGLE = 298.5992 DIHED = 794.8142 + VDWAALS = -1414.5887 EEL = -10844.3346 EGB = -2570.7054 + 1-4 VDW = 487.9111 1-4 EEL = 5264.5128 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 63 -7.8821E+03 1.5306E+00 2.7520E+01 OG1 2260 + + BOND = 106.1667 ANGLE = 302.6675 DIHED = 792.4868 + VDWAALS = -1420.7067 EEL = -10849.0621 EGB = -2568.8202 + 1-4 VDW = 490.4955 1-4 EEL = 5264.6625 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 64 -7.8821E+03 1.6096E+00 2.8876E+01 OG1 2260 + + BOND = 106.2177 ANGLE = 303.0028 DIHED = 792.3785 + VDWAALS = -1421.0087 EEL = -10849.3089 EGB = -2568.7242 + 1-4 VDW = 490.6368 1-4 EEL = 5264.6727 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 65 -7.8933E+03 1.3838E+00 3.3250E+01 CB 2254 + + BOND = 101.9127 ANGLE = 301.9515 DIHED = 789.7758 + VDWAALS = -1424.6145 EEL = -10852.9544 EGB = -2567.0261 + 1-4 VDW = 492.1621 1-4 EEL = 5265.4885 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 66 -7.8937E+03 1.6372E+00 4.2728E+01 CB 2254 + + BOND = 102.2459 ANGLE = 302.3221 DIHED = 789.2880 + VDWAALS = -1425.3575 EEL = -10853.7826 EGB = -2566.6503 + 1-4 VDW = 492.5431 1-4 EEL = 5265.6851 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 67 -7.9062E+03 1.4873E+00 2.0722E+01 HA 2253 + + BOND = 100.9416 ANGLE = 291.3770 DIHED = 786.7588 + VDWAALS = -1426.1118 EEL = -10853.8821 EGB = -2564.8333 + 1-4 VDW = 492.9804 1-4 EEL = 5266.5468 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 68 -7.9063E+03 1.5787E+00 2.1558E+01 HA 2253 + + BOND = 101.3221 ANGLE = 290.8397 DIHED = 786.6406 + VDWAALS = -1426.1324 EEL = -10853.8874 EGB = -2564.7053 + 1-4 VDW = 493.0292 1-4 EEL = 5266.6118 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 69 -7.9091E+03 2.2047E+00 4.4231E+01 CG 174 + + BOND = 108.9289 ANGLE = 277.4172 DIHED = 785.7269 + VDWAALS = -1424.8914 EEL = -10849.6773 EGB = -2563.9619 + 1-4 VDW = 492.0850 1-4 EEL = 5265.2284 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 70 -7.9130E+03 1.1189E+00 1.6773E+01 CG 174 + + BOND = 102.3782 ANGLE = 281.7605 DIHED = 785.8841 + VDWAALS = -1425.5484 EEL = -10851.4980 EGB = -2564.2613 + 1-4 VDW = 492.4288 1-4 EEL = 5265.8215 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 71 -7.9167E+03 7.8004E-01 1.4398E+01 CA 2252 + + BOND = 103.8784 ANGLE = 277.7667 DIHED = 785.4653 + VDWAALS = -1424.8424 EEL = -10851.2922 EGB = -2564.1395 + 1-4 VDW = 491.5617 1-4 EEL = 5264.8705 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 72 -7.9168E+03 8.4457E-01 1.6372E+01 CG 174 + + BOND = 104.3097 ANGLE = 277.4090 DIHED = 785.4317 + VDWAALS = -1424.7559 EEL = -10851.2680 EGB = -2564.1268 + 1-4 VDW = 491.4676 1-4 EEL = 5264.7628 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 73 -7.9197E+03 7.7087E-01 1.5740E+01 CG 174 + + BOND = 106.3575 ANGLE = 274.7235 DIHED = 784.8878 + VDWAALS = -1424.3279 EEL = -10852.1228 EGB = -2564.4262 + 1-4 VDW = 491.0540 1-4 EEL = 5264.1295 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 74 -7.9200E+03 1.0234E+00 2.8883E+01 CG 174 + + BOND = 107.8077 ANGLE = 273.9003 DIHED = 784.6907 + VDWAALS = -1424.1371 EEL = -10852.4711 EGB = -2564.5531 + 1-4 VDW = 490.8957 1-4 EEL = 5263.8703 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 75 -7.9237E+03 8.0327E-01 1.2743E+01 CA 2252 + + BOND = 109.4276 ANGLE = 271.6385 DIHED = 783.9628 + VDWAALS = -1423.9667 EEL = -10854.4552 EGB = -2564.3897 + 1-4 VDW = 490.5539 1-4 EEL = 5263.4798 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 76 -7.9238E+03 7.8908E-01 1.2407E+01 CA 2252 + + BOND = 109.3652 ANGLE = 271.6419 DIHED = 783.9617 + VDWAALS = -1423.9782 EEL = -10854.4659 EGB = -2564.3845 + 1-4 VDW = 490.5531 1-4 EEL = 5263.4880 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 77 -7.9239E+03 7.7261E-01 1.2007E+01 CA 2252 + + BOND = 109.2913 ANGLE = 271.6465 DIHED = 783.9604 + VDWAALS = -1423.9920 EEL = -10854.4788 EGB = -2564.3782 + 1-4 VDW = 490.5523 1-4 EEL = 5263.4979 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 78 -7.9240E+03 7.5363E-01 1.1533E+01 CA 2252 + + BOND = 109.2044 ANGLE = 271.6527 DIHED = 783.9587 + VDWAALS = -1424.0089 EEL = -10854.4945 EGB = -2564.3707 + 1-4 VDW = 490.5514 1-4 EEL = 5263.5101 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 79 -7.9241E+03 7.3198E-01 1.0972E+01 CA 2252 + + BOND = 109.1023 ANGLE = 271.6611 DIHED = 783.9566 + VDWAALS = -1424.0293 EEL = -10854.5136 EGB = -2564.3615 + 1-4 VDW = 490.5503 1-4 EEL = 5263.5251 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 80 -7.9250E+03 5.7730E-01 6.0082E+00 CA 2252 + + BOND = 108.2878 ANGLE = 271.7702 DIHED = 783.9382 + VDWAALS = -1424.2156 EEL = -10854.6885 EGB = -2564.2791 + 1-4 VDW = 490.5427 1-4 EEL = 5263.6630 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 81 -7.9261E+03 7.4573E-01 2.1632E+01 CG 174 + + BOND = 107.0292 ANGLE = 272.3986 DIHED = 783.9039 + VDWAALS = -1424.7500 EEL = -10855.1978 EGB = -2564.0421 + 1-4 VDW = 490.5273 1-4 EEL = 5264.0648 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 82 -7.9282E+03 7.4106E-01 1.9766E+01 CG 174 + + BOND = 104.1567 ANGLE = 273.9477 DIHED = 783.7570 + VDWAALS = -1425.7880 EEL = -10856.2491 EGB = -2563.6669 + 1-4 VDW = 490.6336 1-4 EEL = 5265.0034 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 83 -7.9282E+03 8.0419E-01 2.3440E+01 CG 174 + + BOND = 104.0245 ANGLE = 274.1305 DIHED = 783.7483 + VDWAALS = -1425.8775 EEL = -10856.3426 EGB = -2563.6342 + 1-4 VDW = 490.6445 1-4 EEL = 5265.0867 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 84 -7.9311E+03 6.4072E-01 1.0369E+01 CA 2252 + + BOND = 102.2995 ANGLE = 275.5319 DIHED = 783.3722 + VDWAALS = -1426.8844 EEL = -10858.3381 EGB = -2563.4855 + 1-4 VDW = 490.5323 1-4 EEL = 5265.8637 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 85 -7.9315E+03 8.6812E-01 1.8835E+01 CG 174 + + BOND = 102.1058 ANGLE = 276.5452 DIHED = 783.2369 + VDWAALS = -1427.3505 EEL = -10859.3071 EGB = -2563.4179 + 1-4 VDW = 490.4915 1-4 EEL = 5266.2421 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 86 -7.9348E+03 8.8328E-01 1.5653E+01 CG 174 + + BOND = 102.4839 ANGLE = 277.6371 DIHED = 782.6467 + VDWAALS = -1428.1775 EEL = -10862.2964 EGB = -2563.0070 + 1-4 VDW = 489.4047 1-4 EEL = 5266.4938 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 87 -7.9348E+03 9.1285E-01 1.6828E+01 CG 174 + + BOND = 102.5657 ANGLE = 277.7060 DIHED = 782.6326 + VDWAALS = -1428.2030 EEL = -10862.3980 EGB = -2562.9936 + 1-4 VDW = 489.3694 1-4 EEL = 5266.5025 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 88 -7.9381E+03 8.5884E-01 1.6580E+01 CA 2252 + + BOND = 104.6787 ANGLE = 277.4852 DIHED = 782.1342 + VDWAALS = -1427.9265 EEL = -10865.3151 EGB = -2562.7351 + 1-4 VDW = 487.5239 1-4 EEL = 5266.0220 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 89 -7.9381E+03 8.3771E-01 1.6281E+01 CA 2252 + + BOND = 104.5759 ANGLE = 277.4676 DIHED = 782.1418 + VDWAALS = -1427.9352 EEL = -10865.2449 EGB = -2562.7409 + 1-4 VDW = 487.5673 1-4 EEL = 5266.0336 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 90 -7.9410E+03 7.3240E-01 1.1203E+01 CB 2254 + + BOND = 107.5172 ANGLE = 275.5266 DIHED = 781.5923 + VDWAALS = -1426.6403 EEL = -10868.0029 EGB = -2562.7263 + 1-4 VDW = 485.7512 1-4 EEL = 5266.0151 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 91 -7.9410E+03 7.3475E-01 1.1276E+01 CB 2254 + + BOND = 107.5325 ANGLE = 275.5229 DIHED = 781.5910 + VDWAALS = -1426.6359 EEL = -10868.0118 EGB = -2562.7263 + 1-4 VDW = 485.7454 1-4 EEL = 5266.0150 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 92 -7.9434E+03 6.5973E-01 1.1898E+01 CB 2254 + + BOND = 110.3758 ANGLE = 272.0474 DIHED = 781.0133 + VDWAALS = -1425.2937 EEL = -10870.4044 EGB = -2561.8649 + 1-4 VDW = 484.5396 1-4 EEL = 5266.1404 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 93 -7.9435E+03 7.5033E-01 1.1987E+01 CB 2254 + + BOND = 111.0121 ANGLE = 271.6206 DIHED = 780.9413 + VDWAALS = -1425.0830 EEL = -10870.7652 EGB = -2561.7370 + 1-4 VDW = 484.3616 1-4 EEL = 5266.1599 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 94 -7.9458E+03 8.3499E-01 1.2762E+01 CG 2018 + + BOND = 113.5372 ANGLE = 271.0158 DIHED = 780.2763 + VDWAALS = -1424.0382 EEL = -10874.6760 EGB = -2561.8273 + 1-4 VDW = 483.3412 1-4 EEL = 5266.6067 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 95 -7.9458E+03 7.5071E-01 1.0692E+01 CG 2018 + + BOND = 113.1065 ANGLE = 271.0255 DIHED = 780.3332 + VDWAALS = -1424.1453 EEL = -10874.2953 EGB = -2561.8170 + 1-4 VDW = 483.4387 1-4 EEL = 5266.5626 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 96 -7.9489E+03 8.3840E-01 1.6426E+01 OD2 2547 + + BOND = 113.3540 ANGLE = 271.5968 DIHED = 779.5316 + VDWAALS = -1424.3448 EEL = -10878.2860 EGB = -2560.8736 + 1-4 VDW = 482.9470 1-4 EEL = 5267.2126 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 97 -7.9492E+03 1.1799E+00 2.4397E+01 OD2 2547 + + BOND = 114.2772 ANGLE = 272.0864 DIHED = 779.1899 + VDWAALS = -1424.4056 EEL = -10880.1766 EGB = -2560.4353 + 1-4 VDW = 482.7243 1-4 EEL = 5267.5267 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 98 -7.9544E+03 8.5636E-01 1.3780E+01 HG1 2261 + + BOND = 112.3259 ANGLE = 272.3240 DIHED = 778.0640 + VDWAALS = -1425.7822 EEL = -10882.4531 EGB = -2559.4480 + 1-4 VDW = 482.4042 1-4 EEL = 5268.1709 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 99 -7.9562E+03 1.2191E+00 1.7240E+01 CG 2545 + + BOND = 112.2285 ANGLE = 273.6993 DIHED = 777.1246 + VDWAALS = -1426.9788 EEL = -10884.8134 EGB = -2558.4716 + 1-4 VDW = 482.1365 1-4 EEL = 5268.8846 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 100 -7.9626E+03 1.2880E+00 2.8143E+01 OG1 2260 + + BOND = 109.9640 ANGLE = 275.7017 DIHED = 775.2942 + VDWAALS = -1428.8691 EEL = -10890.2627 EGB = -2555.5893 + 1-4 VDW = 481.7835 1-4 EEL = 5269.3438 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 101 -7.9628E+03 1.2560E+00 2.7602E+01 OG1 2260 + + BOND = 109.8713 ANGLE = 275.6763 DIHED = 775.2917 + VDWAALS = -1428.8731 EEL = -10890.2612 EGB = -2555.6137 + 1-4 VDW = 481.7823 1-4 EEL = 5269.3269 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 102 -7.9630E+03 1.2185E+00 2.6955E+01 OG1 2260 + + BOND = 109.7658 ANGLE = 275.6458 DIHED = 775.2885 + VDWAALS = -1428.8777 EEL = -10890.2596 EGB = -2555.6427 + 1-4 VDW = 481.7808 1-4 EEL = 5269.3063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 103 -7.9632E+03 1.1746E+00 2.6181E+01 OG1 2260 + + BOND = 109.6471 ANGLE = 275.6091 DIHED = 775.2847 + VDWAALS = -1428.8831 EEL = -10890.2581 EGB = -2555.6770 + 1-4 VDW = 481.7791 1-4 EEL = 5269.2813 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 104 -7.9635E+03 1.1239E+00 2.5257E+01 OG1 2260 + + BOND = 109.5158 ANGLE = 275.5647 DIHED = 775.2799 + VDWAALS = -1428.8893 EEL = -10890.2569 EGB = -2555.7175 + 1-4 VDW = 481.7770 1-4 EEL = 5269.2508 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 105 -7.9644E+03 9.4027E-01 2.1629E+01 OG1 2260 + + BOND = 109.0975 ANGLE = 275.3960 DIHED = 775.2607 + VDWAALS = -1428.9121 EEL = -10890.2544 EGB = -2555.8743 + 1-4 VDW = 481.7691 1-4 EEL = 5269.1283 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 106 -7.9664E+03 8.0872E-01 1.3106E+01 CG 2545 + + BOND = 109.0884 ANGLE = 274.9526 DIHED = 775.1929 + VDWAALS = -1429.0113 EEL = -10890.2435 EGB = -2556.6310 + 1-4 VDW = 481.7411 1-4 EEL = 5268.5408 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 107 -7.9686E+03 5.6955E-01 1.0972E+01 OG1 2260 + + BOND = 109.0297 ANGLE = 273.6890 DIHED = 775.0638 + VDWAALS = -1428.9064 EEL = -10890.5203 EGB = -2556.6205 + 1-4 VDW = 481.7235 1-4 EEL = 5267.8979 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 108 -7.9694E+03 7.9969E-01 1.6094E+01 CG 2545 + + BOND = 109.8277 ANGLE = 272.9827 DIHED = 775.0123 + VDWAALS = -1428.7868 EEL = -10890.7918 EGB = -2556.6169 + 1-4 VDW = 481.7278 1-4 EEL = 5267.2772 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 109 -7.9711E+03 9.8661E-01 2.5198E+01 CG 2545 + + BOND = 109.3718 ANGLE = 270.2685 DIHED = 774.8776 + VDWAALS = -1428.9858 EEL = -10887.4997 EGB = -2557.4558 + 1-4 VDW = 481.9941 1-4 EEL = 5266.2872 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 110 -7.9715E+03 6.6743E-01 1.3425E+01 CG 2545 + + BOND = 108.9088 ANGLE = 270.8447 DIHED = 774.8851 + VDWAALS = -1428.9412 EEL = -10888.4383 EGB = -2557.2124 + 1-4 VDW = 481.9079 1-4 EEL = 5266.5685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 111 -7.9732E+03 5.5824E-01 8.7136E+00 CG2 2256 + + BOND = 107.8425 ANGLE = 269.8041 DIHED = 774.7236 + VDWAALS = -1428.9971 EEL = -10888.3609 EGB = -2556.7865 + 1-4 VDW = 482.1275 1-4 EEL = 5266.4563 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 112 -7.9732E+03 6.4711E-01 1.1878E+01 CG 2545 + + BOND = 107.8290 ANGLE = 269.6914 DIHED = 774.7042 + VDWAALS = -1429.0033 EEL = -10888.3471 EGB = -2556.7116 + 1-4 VDW = 482.1703 1-4 EEL = 5266.4365 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 113 -7.9749E+03 5.4536E-01 9.8225E+00 OG1 2260 + + BOND = 107.2524 ANGLE = 269.3454 DIHED = 774.5044 + VDWAALS = -1429.3813 EEL = -10889.3117 EGB = -2556.5558 + 1-4 VDW = 482.5340 1-4 EEL = 5266.6672 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 114 -7.9749E+03 5.6067E-01 1.0311E+01 OG1 2260 + + BOND = 107.2655 ANGLE = 269.3491 DIHED = 774.5016 + VDWAALS = -1429.3912 EEL = -10889.3393 EGB = -2556.5516 + 1-4 VDW = 482.5453 1-4 EEL = 5266.6738 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 115 -7.9764E+03 5.4508E-01 7.8400E+00 CG2 2256 + + BOND = 106.4860 ANGLE = 268.3884 DIHED = 774.1795 + VDWAALS = -1429.6078 EEL = -10890.6582 EGB = -2555.6804 + 1-4 VDW = 482.9902 1-4 EEL = 5267.4628 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 116 -7.9765E+03 6.3502E-01 9.2295E+00 CG2 2256 + + BOND = 106.4927 ANGLE = 268.2786 DIHED = 774.1357 + VDWAALS = -1429.6416 EEL = -10890.8971 EGB = -2555.5237 + 1-4 VDW = 483.0744 1-4 EEL = 5267.6058 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 117 -7.9781E+03 5.4975E-01 1.0316E+01 OG1 2260 + + BOND = 105.6628 ANGLE = 267.5056 DIHED = 773.6992 + VDWAALS = -1429.9399 EEL = -10892.2985 EGB = -2554.8909 + 1-4 VDW = 483.8386 1-4 EEL = 5268.2879 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 118 -7.9781E+03 5.9281E-01 1.0603E+01 OG1 2260 + + BOND = 105.6708 ANGLE = 267.4792 DIHED = 773.6711 + VDWAALS = -1429.9616 EEL = -10892.4150 EGB = -2554.8388 + 1-4 VDW = 483.9044 1-4 EEL = 5268.3448 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 119 -7.9795E+03 6.1181E-01 1.1527E+01 OG1 2260 + + BOND = 105.8617 ANGLE = 266.6714 DIHED = 773.2926 + VDWAALS = -1430.3889 EEL = -10893.5011 EGB = -2554.2429 + 1-4 VDW = 484.6092 1-4 EEL = 5268.2095 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 120 -7.9795E+03 5.6319E-01 1.0677E+01 OG1 2260 + + BOND = 105.7697 ANGLE = 266.7072 DIHED = 773.3162 + VDWAALS = -1430.3581 EEL = -10893.4174 EGB = -2554.2885 + 1-4 VDW = 484.5533 1-4 EEL = 5268.2198 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 121 -7.9810E+03 4.5886E-01 6.8657E+00 CG 174 + + BOND = 106.1497 ANGLE = 265.4446 DIHED = 772.9741 + VDWAALS = -1430.8964 EEL = -10892.9978 EGB = -2554.0974 + 1-4 VDW = 484.8889 1-4 EEL = 5267.5410 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 122 -7.9811E+03 5.6237E-01 1.0693E+01 CG 174 + + BOND = 106.4607 ANGLE = 265.1965 DIHED = 772.9008 + VDWAALS = -1431.0364 EEL = -10892.8824 EGB = -2554.0469 + 1-4 VDW = 484.9859 1-4 EEL = 5267.3557 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 123 -7.9823E+03 7.4171E-01 2.2119E+01 CG 174 + + BOND = 107.3893 ANGLE = 264.1628 DIHED = 772.3999 + VDWAALS = -1431.3851 EEL = -10892.9688 EGB = -2553.8461 + 1-4 VDW = 485.3460 1-4 EEL = 5266.5608 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 124 -7.9824E+03 6.1630E-01 1.6841E+01 CG 174 + + BOND = 107.0711 ANGLE = 264.2631 DIHED = 772.4694 + VDWAALS = -1431.3344 EEL = -10892.9549 EGB = -2553.8768 + 1-4 VDW = 485.2851 1-4 EEL = 5266.6876 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 125 -7.9839E+03 5.8769E-01 1.1120E+01 CG 174 + + BOND = 107.2510 ANGLE = 263.1689 DIHED = 772.0451 + VDWAALS = -1431.7628 EEL = -10893.0167 EGB = -2553.6630 + 1-4 VDW = 485.7119 1-4 EEL = 5266.3975 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 126 -7.9839E+03 5.6850E-01 1.0240E+01 CG 174 + + BOND = 107.2100 ANGLE = 263.1529 DIHED = 772.0443 + VDWAALS = -1431.7696 EEL = -10893.0261 EGB = -2553.6495 + 1-4 VDW = 485.7085 1-4 EEL = 5266.4052 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 127 -7.9840E+03 5.4660E-01 9.2332E+00 CG 174 + + BOND = 107.1622 ANGLE = 263.1347 DIHED = 772.0434 + VDWAALS = -1431.7779 EEL = -10893.0373 EGB = -2553.6333 + 1-4 VDW = 485.7043 1-4 EEL = 5266.4147 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 128 -7.9841E+03 5.2195E-01 8.0976E+00 CG 174 + + BOND = 107.1067 ANGLE = 263.1142 DIHED = 772.0421 + VDWAALS = -1431.7881 EEL = -10893.0508 EGB = -2553.6140 + 1-4 VDW = 485.6993 1-4 EEL = 5266.4264 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 129 -7.9841E+03 4.9473E-01 6.8418E+00 CG 174 + + BOND = 107.0425 ANGLE = 263.0916 DIHED = 772.0404 + VDWAALS = -1431.8004 EEL = -10893.0669 EGB = -2553.5908 + 1-4 VDW = 485.6931 1-4 EEL = 5266.4410 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 130 -7.9848E+03 3.5393E-01 6.6965E+00 CG 174 + + BOND = 106.5053 ANGLE = 262.9138 DIHED = 772.0217 + VDWAALS = -1431.9499 EEL = -10893.2615 EGB = -2553.3148 + 1-4 VDW = 485.6182 1-4 EEL = 5266.6246 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 131 -7.9850E+03 4.8535E-01 1.5218E+01 CG 174 + + BOND = 106.4020 ANGLE = 262.8744 DIHED = 772.0153 + VDWAALS = -1432.0424 EEL = -10893.3838 EGB = -2553.1422 + 1-4 VDW = 485.5725 1-4 EEL = 5266.7400 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 132 -7.9858E+03 4.4476E-01 1.0717E+01 CG 174 + + BOND = 105.0585 ANGLE = 263.4130 DIHED = 771.9122 + VDWAALS = -1432.3498 EEL = -10893.7068 EGB = -2552.7790 + 1-4 VDW = 485.4049 1-4 EEL = 5267.2480 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 133 -7.9858E+03 4.6888E-01 1.2169E+01 CG 174 + + BOND = 105.0136 ANGLE = 263.4550 DIHED = 771.9081 + VDWAALS = -1432.3666 EEL = -10893.7249 EGB = -2552.7589 + 1-4 VDW = 485.3959 1-4 EEL = 5267.2764 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 134 -7.9868E+03 4.0136E-01 5.6624E+00 OD2 2547 + + BOND = 104.0731 ANGLE = 264.2593 DIHED = 771.6401 + VDWAALS = -1432.6191 EEL = -10894.4441 EGB = -2552.4972 + 1-4 VDW = 485.1257 1-4 EEL = 5267.6139 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 135 -7.9870E+03 5.4997E-01 1.1370E+01 CG 174 + + BOND = 103.8709 ANGLE = 264.7453 DIHED = 771.5324 + VDWAALS = -1432.7346 EEL = -10894.7895 EGB = -2552.3730 + 1-4 VDW = 485.0004 1-4 EEL = 5267.7766 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 136 -7.9883E+03 5.0351E-01 7.4299E+00 CB 2542 + + BOND = 103.8169 ANGLE = 265.3799 DIHED = 771.1200 + VDWAALS = -1433.2136 EEL = -10895.3151 EGB = -2552.1426 + 1-4 VDW = 484.4104 1-4 EEL = 5267.6314 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 137 -7.9883E+03 5.7759E-01 8.9956E+00 CB 2542 + + BOND = 103.9272 ANGLE = 265.5342 DIHED = 771.0650 + VDWAALS = -1433.2868 EEL = -10895.3991 EGB = -2552.1062 + 1-4 VDW = 484.3186 1-4 EEL = 5267.6084 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 138 -7.9900E+03 4.9576E-01 5.4552E+00 CG 174 + + BOND = 104.2109 ANGLE = 266.4885 DIHED = 770.6812 + VDWAALS = -1433.4527 EEL = -10896.0973 EGB = -2552.0907 + 1-4 VDW = 483.4039 1-4 EEL = 5266.8712 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 139 -7.9900E+03 5.9918E-01 8.9252E+00 CG 174 + + BOND = 104.4702 ANGLE = 266.8158 DIHED = 770.6164 + VDWAALS = -1433.4839 EEL = -10896.2639 EGB = -2552.0887 + 1-4 VDW = 483.1901 1-4 EEL = 5266.6948 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 140 -7.9909E+03 8.2503E-01 1.3365E+01 CG 174 + + BOND = 105.6737 ANGLE = 267.9248 DIHED = 770.2299 + VDWAALS = -1432.9754 EEL = -10897.5806 EGB = -2552.3648 + 1-4 VDW = 482.1085 1-4 EEL = 5266.1291 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 141 -7.9912E+03 4.9629E-01 5.6257E+00 CG 174 + + BOND = 104.8631 ANGLE = 267.3880 DIHED = 770.3267 + VDWAALS = -1433.1635 EEL = -10897.1241 EGB = -2552.2660 + 1-4 VDW = 482.4771 1-4 EEL = 5266.3246 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 142 -7.9923E+03 3.7482E-01 5.0458E+00 OD2 2547 + + BOND = 105.8414 ANGLE = 266.4021 DIHED = 770.0243 + VDWAALS = -1432.6516 EEL = -10898.4495 EGB = -2551.9924 + 1-4 VDW = 482.0404 1-4 EEL = 5266.5285 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 143 -7.9924E+03 5.2432E-01 5.9340E+00 CD 1710 + + BOND = 106.7445 ANGLE = 265.9320 DIHED = 769.8708 + VDWAALS = -1432.3195 EEL = -10899.2819 EGB = -2551.8223 + 1-4 VDW = 481.7721 1-4 EEL = 5266.6582 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 144 -7.9936E+03 5.9076E-01 1.0572E+01 CD 1710 + + BOND = 108.5956 ANGLE = 265.2806 DIHED = 769.4533 + VDWAALS = -1431.3683 EEL = -10902.7576 EGB = -2551.4188 + 1-4 VDW = 481.0446 1-4 EEL = 5267.5538 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 145 -7.9936E+03 5.4197E-01 9.2534E+00 CD 1710 + + BOND = 108.3753 ANGLE = 265.3091 DIHED = 769.4830 + VDWAALS = -1431.4468 EEL = -10902.4794 EGB = -2551.4505 + 1-4 VDW = 481.1020 1-4 EEL = 5267.4818 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 146 -7.9950E+03 5.6560E-01 8.6490E+00 CD 1710 + + BOND = 109.2943 ANGLE = 265.3161 DIHED = 768.9957 + VDWAALS = -1430.8497 EEL = -10906.2639 EGB = -2550.6592 + 1-4 VDW = 480.5701 1-4 EEL = 5268.6398 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 147 -7.9950E+03 6.3661E-01 1.1032E+01 CD 1710 + + BOND = 109.5255 ANGLE = 265.3561 DIHED = 768.9373 + VDWAALS = -1430.7667 EEL = -10906.7684 EGB = -2550.5548 + 1-4 VDW = 480.5006 1-4 EEL = 5268.7950 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 148 -7.9967E+03 5.0955E-01 5.3358E+00 OD2 2547 + + BOND = 109.3418 ANGLE = 264.8655 DIHED = 768.3265 + VDWAALS = -1430.7312 EEL = -10909.3395 EGB = -2549.6510 + 1-4 VDW = 480.2536 1-4 EEL = 5270.2547 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 149 -7.9968E+03 6.4477E-01 8.5088E+00 CD 1710 + + BOND = 109.5678 ANGLE = 264.8345 DIHED = 768.1449 + VDWAALS = -1430.7088 EEL = -10910.2072 EGB = -2549.3508 + 1-4 VDW = 480.1744 1-4 EEL = 5270.7505 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 150 -7.9991E+03 7.6838E-01 1.0853E+01 CB 2143 + + BOND = 109.3252 ANGLE = 264.8413 DIHED = 767.2956 + VDWAALS = -1431.1807 EEL = -10913.2095 EGB = -2548.0029 + 1-4 VDW = 480.1292 1-4 EEL = 5271.6964 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 151 -7.9992E+03 7.4347E-01 1.0502E+01 CB 2143 + + BOND = 109.2677 ANGLE = 264.8467 DIHED = 767.2944 + VDWAALS = -1431.1875 EEL = -10913.2063 EGB = -2548.0177 + 1-4 VDW = 480.1317 1-4 EEL = 5271.6741 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 152 -7.9993E+03 7.1479E-01 1.0082E+01 CB 2143 + + BOND = 109.2025 ANGLE = 264.8533 DIHED = 767.2929 + VDWAALS = -1431.1960 EEL = -10913.2018 EGB = -2548.0351 + 1-4 VDW = 480.1348 1-4 EEL = 5271.6467 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 153 -7.9994E+03 6.8217E-01 9.5816E+00 CB 2143 + + BOND = 109.1294 ANGLE = 264.8614 DIHED = 767.2908 + VDWAALS = -1431.2066 EEL = -10913.1954 EGB = -2548.0557 + 1-4 VDW = 480.1389 1-4 EEL = 5271.6129 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 154 -7.9996E+03 6.4568E-01 8.9881E+00 CB 2143 + + BOND = 109.0487 ANGLE = 264.8711 DIHED = 767.2882 + VDWAALS = -1431.2200 EEL = -10913.1863 EGB = -2548.0800 + 1-4 VDW = 480.1441 1-4 EEL = 5271.5712 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 155 -8.0004E+03 4.5378E-01 4.6666E+00 CB 2143 + + BOND = 108.6319 ANGLE = 264.9775 DIHED = 767.2695 + VDWAALS = -1431.3243 EEL = -10913.1053 EGB = -2548.2549 + 1-4 VDW = 480.1878 1-4 EEL = 5271.2511 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 156 -8.0008E+03 5.8136E-01 7.6988E+00 CG 2018 + + BOND = 108.5735 ANGLE = 265.3085 DIHED = 767.2564 + VDWAALS = -1431.4828 EEL = -10912.9805 EGB = -2548.5271 + 1-4 VDW = 480.2593 1-4 EEL = 5270.7561 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 157 -8.0021E+03 4.1732E-01 6.5110E+00 CB 2143 + + BOND = 108.0210 ANGLE = 265.2615 DIHED = 767.1567 + VDWAALS = -1431.9711 EEL = -10912.1059 EGB = -2548.6358 + 1-4 VDW = 480.5328 1-4 EEL = 5269.6005 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 158 -8.0022E+03 5.2025E-01 7.9925E+00 CG 2018 + + BOND = 108.0438 ANGLE = 265.3580 DIHED = 767.1440 + VDWAALS = -1432.1268 EEL = -10911.8200 EGB = -2548.6724 + 1-4 VDW = 480.6265 1-4 EEL = 5269.2220 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 159 -8.0033E+03 5.4379E-01 9.5418E+00 CG 2018 + + BOND = 106.9419 ANGLE = 264.6787 DIHED = 766.9549 + VDWAALS = -1432.8627 EEL = -10909.4424 EGB = -2548.7303 + 1-4 VDW = 481.0431 1-4 EEL = 5268.1584 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 160 -8.0033E+03 5.0247E-01 8.2561E+00 CG 2018 + + BOND = 106.9666 ANGLE = 264.7073 DIHED = 766.9655 + VDWAALS = -1432.8101 EEL = -10909.6164 EGB = -2548.7258 + 1-4 VDW = 481.0118 1-4 EEL = 5268.2364 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 161 -8.0043E+03 4.7225E-01 6.6788E+00 CG 2018 + + BOND = 105.9094 ANGLE = 264.5652 DIHED = 766.7507 + VDWAALS = -1433.3564 EEL = -10908.5464 EGB = -2548.4933 + 1-4 VDW = 481.2827 1-4 EEL = 5267.5981 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 162 -8.0043E+03 4.9450E-01 7.4005E+00 CG 2018 + + BOND = 105.8903 ANGLE = 264.5702 DIHED = 766.7425 + VDWAALS = -1433.3819 EEL = -10908.4948 EGB = -2548.4822 + 1-4 VDW = 481.2963 1-4 EEL = 5267.5673 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 163 -8.0053E+03 4.6971E-01 5.3913E+00 CG 2018 + + BOND = 105.3110 ANGLE = 264.3677 DIHED = 766.5289 + VDWAALS = -1433.8020 EEL = -10908.6664 EGB = -2548.0905 + 1-4 VDW = 481.5535 1-4 EEL = 5267.4993 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 164 -8.0053E+03 4.7032E-01 5.4078E+00 CG 2018 + + BOND = 105.3111 ANGLE = 264.3678 DIHED = 766.5288 + VDWAALS = -1433.8025 EEL = -10908.6666 EGB = -2548.0900 + 1-4 VDW = 481.5539 1-4 EEL = 5267.4992 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 165 -8.0065E+03 4.4642E-01 5.1667E+00 CA 2141 + + BOND = 105.1903 ANGLE = 262.9605 DIHED = 766.1618 + VDWAALS = -1433.9669 EEL = -10909.5424 EGB = -2547.2114 + 1-4 VDW = 481.9602 1-4 EEL = 5267.9780 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 166 -8.0066E+03 5.8891E-01 8.1723E+00 CD2 2535 + + BOND = 105.3497 ANGLE = 262.5281 DIHED = 766.0531 + VDWAALS = -1434.0202 EEL = -10909.8746 EGB = -2546.8806 + 1-4 VDW = 482.1200 1-4 EEL = 5268.1595 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 167 -8.0078E+03 5.0415E-01 6.5418E+00 OD2 2547 + + BOND = 104.6078 ANGLE = 261.2799 DIHED = 765.6288 + VDWAALS = -1434.0904 EEL = -10910.8423 EGB = -2546.1437 + 1-4 VDW = 482.8346 1-4 EEL = 5268.9159 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 168 -8.0078E+03 4.9211E-01 6.3329E+00 OD2 2547 + + BOND = 104.6073 ANGLE = 261.3006 DIHED = 765.6366 + VDWAALS = -1434.0895 EEL = -10910.8194 EGB = -2546.1609 + 1-4 VDW = 482.8172 1-4 EEL = 5268.8980 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 169 -8.0088E+03 4.0251E-01 5.0324E+00 CG 174 + + BOND = 104.5030 ANGLE = 260.8717 DIHED = 765.3960 + VDWAALS = -1434.2777 EEL = -10911.5132 EGB = -2545.7750 + 1-4 VDW = 483.2596 1-4 EEL = 5268.7519 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 170 -8.0088E+03 4.4730E-01 6.3377E+00 CG 174 + + BOND = 104.5584 ANGLE = 260.8491 DIHED = 765.3731 + VDWAALS = -1434.2987 EEL = -10911.5975 EGB = -2545.7287 + 1-4 VDW = 483.3146 1-4 EEL = 5268.7344 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 171 -8.0096E+03 4.1902E-01 7.7104E+00 CG 174 + + BOND = 105.1917 ANGLE = 260.2583 DIHED = 765.1288 + VDWAALS = -1434.6375 EEL = -10911.9192 EGB = -2545.5384 + 1-4 VDW = 483.7046 1-4 EEL = 5268.2467 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 172 -8.0096E+03 3.9308E-01 6.8727E+00 CG 174 + + BOND = 105.1215 ANGLE = 260.2803 DIHED = 765.1408 + VDWAALS = -1434.6180 EEL = -10911.8997 EGB = -2545.5495 + 1-4 VDW = 483.6809 1-4 EEL = 5268.2757 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 173 -8.0103E+03 3.5630E-01 8.5154E+00 CG 174 + + BOND = 105.4053 ANGLE = 260.2437 DIHED = 764.8551 + VDWAALS = -1434.7102 EEL = -10912.4655 EGB = -2545.5820 + 1-4 VDW = 483.9068 1-4 EEL = 5268.0583 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 174 -8.0103E+03 4.3255E-01 1.2249E+01 CG 174 + + BOND = 105.5714 ANGLE = 260.2777 DIHED = 764.7916 + VDWAALS = -1434.7308 EEL = -10912.6043 EGB = -2545.5915 + 1-4 VDW = 483.9627 1-4 EEL = 5268.0061 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 175 -8.0112E+03 5.6219E-01 1.4176E+01 CG 174 + + BOND = 105.9036 ANGLE = 260.1444 DIHED = 764.4347 + VDWAALS = -1434.8039 EEL = -10913.5705 EGB = -2545.4414 + 1-4 VDW = 484.0550 1-4 EEL = 5268.0475 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 176 -8.0113E+03 5.3512E-01 1.2845E+01 CG 174 + + BOND = 105.8681 ANGLE = 260.1184 DIHED = 764.4346 + VDWAALS = -1434.8079 EEL = -10913.5784 EGB = -2545.4274 + 1-4 VDW = 484.0471 1-4 EEL = 5268.0543 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 177 -8.0114E+03 5.0447E-01 1.1323E+01 CG 174 + + BOND = 105.8283 ANGLE = 260.0879 DIHED = 764.4344 + VDWAALS = -1434.8127 EEL = -10913.5881 EGB = -2545.4104 + 1-4 VDW = 484.0373 1-4 EEL = 5268.0629 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 178 -8.0114E+03 4.7047E-01 9.6113E+00 CG 174 + + BOND = 105.7842 ANGLE = 260.0525 DIHED = 764.4341 + VDWAALS = -1434.8182 EEL = -10913.6000 EGB = -2545.3898 + 1-4 VDW = 484.0251 1-4 EEL = 5268.0740 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 179 -8.0115E+03 4.3382E-01 7.7355E+00 CG 174 + + BOND = 105.7359 ANGLE = 260.0120 DIHED = 764.4335 + VDWAALS = -1434.8247 EEL = -10913.6148 EGB = -2545.3648 + 1-4 VDW = 484.0100 1-4 EEL = 5268.0884 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 180 -8.0121E+03 3.7709E-01 1.2102E+01 CG 174 + + BOND = 105.5271 ANGLE = 259.6368 DIHED = 764.4275 + VDWAALS = -1434.8960 EEL = -10913.7998 EGB = -2545.0617 + 1-4 VDW = 483.8223 1-4 EEL = 5268.2785 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 181 -8.0121E+03 4.0876E-01 1.3865E+01 CG 174 + + BOND = 105.5430 ANGLE = 259.6126 DIHED = 764.4277 + VDWAALS = -1434.9021 EEL = -10913.8162 EGB = -2545.0350 + 1-4 VDW = 483.8058 1-4 EEL = 5268.2954 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 182 -8.0127E+03 3.1720E-01 4.3484E+00 CG 174 + + BOND = 104.9106 ANGLE = 259.5785 DIHED = 764.3727 + VDWAALS = -1434.9176 EEL = -10914.1018 EGB = -2544.7149 + 1-4 VDW = 483.5242 1-4 EEL = 5268.6914 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 183 -8.0127E+03 3.8331E-01 8.9172E+00 CG 174 + + BOND = 104.8333 ANGLE = 259.6050 DIHED = 764.3639 + VDWAALS = -1434.9203 EEL = -10914.1735 EGB = -2544.6353 + 1-4 VDW = 483.4546 1-4 EEL = 5268.7908 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 184 -8.0134E+03 3.2930E-01 4.3374E+00 OD2 2547 + + BOND = 104.3438 ANGLE = 259.9064 DIHED = 764.1636 + VDWAALS = -1434.8814 EEL = -10914.7508 EGB = -2544.4118 + 1-4 VDW = 483.1136 1-4 EEL = 5269.1118 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 185 -8.0135E+03 4.5280E-01 7.9503E+00 CG 174 + + BOND = 104.2772 ANGLE = 260.1252 DIHED = 764.0821 + VDWAALS = -1434.8585 EEL = -10915.0328 EGB = -2544.3043 + 1-4 VDW = 482.9505 1-4 EEL = 5269.2687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 186 -8.0144E+03 4.1791E-01 5.7954E+00 CB 2542 + + BOND = 104.4507 ANGLE = 260.5038 DIHED = 763.7920 + VDWAALS = -1435.0179 EEL = -10915.5873 EGB = -2544.1662 + 1-4 VDW = 482.3878 1-4 EEL = 5269.1917 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 187 -8.0145E+03 4.9425E-01 7.3013E+00 CB 2542 + + BOND = 104.5901 ANGLE = 260.6270 DIHED = 763.7434 + VDWAALS = -1435.0471 EEL = -10915.7001 EGB = -2544.1391 + 1-4 VDW = 482.2761 1-4 EEL = 5269.1764 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 188 -8.0157E+03 4.2978E-01 4.6337E+00 CD2 2535 + + BOND = 104.7865 ANGLE = 261.7996 DIHED = 763.4977 + VDWAALS = -1435.1460 EEL = -10916.5684 EGB = -2544.1376 + 1-4 VDW = 481.5472 1-4 EEL = 5268.5640 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 189 -8.0157E+03 5.2112E-01 7.2530E+00 CG 174 + + BOND = 104.9786 ANGLE = 262.1549 DIHED = 763.4584 + VDWAALS = -1435.1634 EEL = -10916.7811 EGB = -2544.1399 + 1-4 VDW = 481.3732 1-4 EEL = 5268.4149 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 190 -8.0165E+03 6.4193E-01 9.7400E+00 CG 174 + + BOND = 105.1700 ANGLE = 263.5440 DIHED = 763.2050 + VDWAALS = -1434.9621 EEL = -10917.6615 EGB = -2544.4703 + 1-4 VDW = 480.6989 1-4 EEL = 5267.9823 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 191 -8.0166E+03 4.4950E-01 5.5230E+00 CD 1710 + + BOND = 104.9050 ANGLE = 263.0881 DIHED = 763.2475 + VDWAALS = -1435.0231 EEL = -10917.4253 EGB = -2544.3785 + 1-4 VDW = 480.8747 1-4 EEL = 5268.0971 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 192 -8.0175E+03 3.6034E-01 4.5580E+00 OD2 2547 + + BOND = 105.5786 ANGLE = 262.6729 DIHED = 762.9781 + VDWAALS = -1434.6688 EEL = -10918.7830 EGB = -2544.1341 + 1-4 VDW = 480.5896 1-4 EEL = 5268.2689 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 193 -8.0176E+03 4.7251E-01 7.4001E+00 CD 1710 + + BOND = 106.0223 ANGLE = 262.5849 DIHED = 762.8910 + VDWAALS = -1434.5173 EEL = -10919.3382 EGB = -2544.0377 + 1-4 VDW = 480.4768 1-4 EEL = 5268.3399 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 194 -8.0185E+03 4.8649E-01 9.4659E+00 CD 1710 + + BOND = 107.4311 ANGLE = 262.3377 DIHED = 762.5596 + VDWAALS = -1433.8749 EEL = -10922.3250 EGB = -2543.7515 + 1-4 VDW = 479.9830 1-4 EEL = 5269.1295 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 195 -8.0185E+03 4.6668E-01 8.7900E+00 CD 1710 + + BOND = 107.3473 ANGLE = 262.3382 DIHED = 762.5711 + VDWAALS = -1433.9019 EEL = -10922.2047 EGB = -2543.7624 + 1-4 VDW = 480.0025 1-4 EEL = 5269.0977 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 196 -8.0194E+03 4.9888E-01 8.8492E+00 CD 1710 + + BOND = 108.1413 ANGLE = 262.3328 DIHED = 762.1992 + VDWAALS = -1433.2816 EEL = -10925.5202 EGB = -2543.1304 + 1-4 VDW = 479.5192 1-4 EEL = 5270.3066 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 197 -8.0194E+03 4.9927E-01 8.8629E+00 CD 1710 + + BOND = 108.1424 ANGLE = 262.3330 DIHED = 762.1989 + VDWAALS = -1433.2811 EEL = -10925.5228 EGB = -2543.1299 + 1-4 VDW = 479.5188 1-4 EEL = 5270.3075 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 198 -8.0205E+03 4.1787E-01 4.2022E+00 CD 1710 + + BOND = 108.2204 ANGLE = 261.6282 DIHED = 761.7510 + VDWAALS = -1433.0463 EEL = -10927.4986 EGB = -2542.4437 + 1-4 VDW = 479.2686 1-4 EEL = 5271.5848 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 199 -8.0206E+03 4.9842E-01 7.1731E+00 CD 1710 + + BOND = 108.3674 ANGLE = 261.5332 DIHED = 761.6626 + VDWAALS = -1432.9842 EEL = -10927.9527 EGB = -2542.2917 + 1-4 VDW = 479.2134 1-4 EEL = 5271.8773 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 200 -8.0218E+03 6.8896E-01 9.9086E+00 CB 2143 + + BOND = 108.5274 ANGLE = 261.1268 DIHED = 761.1082 + VDWAALS = -1432.9510 EEL = -10930.1424 EGB = -2541.4376 + 1-4 VDW = 479.2019 1-4 EEL = 5272.7708 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 201 -8.0219E+03 6.5919E-01 9.5342E+00 CB 2143 + + BOND = 108.4676 ANGLE = 261.1381 DIHED = 761.1080 + VDWAALS = -1432.9589 EEL = -10930.1355 EGB = -2541.4531 + 1-4 VDW = 479.2045 1-4 EEL = 5272.7486 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 202 -8.0220E+03 6.2507E-01 9.0847E+00 CB 2143 + + BOND = 108.4005 ANGLE = 261.1522 DIHED = 761.1076 + VDWAALS = -1432.9687 EEL = -10930.1270 EGB = -2541.4715 + 1-4 VDW = 479.2077 1-4 EEL = 5272.7212 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 203 -8.0221E+03 5.8658E-01 8.5463E+00 CB 2143 + + BOND = 108.3263 ANGLE = 261.1698 DIHED = 761.1070 + VDWAALS = -1432.9810 EEL = -10930.1163 EGB = -2541.4932 + 1-4 VDW = 479.2120 1-4 EEL = 5272.6873 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 204 -8.0222E+03 5.4413E-01 7.9043E+00 CB 2143 + + BOND = 108.2457 ANGLE = 261.1916 DIHED = 761.1060 + VDWAALS = -1432.9962 EEL = -10930.1025 EGB = -2541.5186 + 1-4 VDW = 479.2178 1-4 EEL = 5272.6451 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 205 -8.0229E+03 3.5799E-01 3.3405E+00 HB 863 + + BOND = 107.8460 ANGLE = 261.4314 DIHED = 761.0997 + VDWAALS = -1433.1307 EEL = -10929.9768 EGB = -2541.7259 + 1-4 VDW = 479.2733 1-4 EEL = 5272.2749 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 206 -8.0230E+03 4.7303E-01 6.5735E+00 CD 1710 + + BOND = 107.8375 ANGLE = 261.6529 DIHED = 761.1016 + VDWAALS = -1433.2169 EEL = -10929.8953 EGB = -2541.8610 + 1-4 VDW = 479.3109 1-4 EEL = 5272.0347 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 207 -8.0239E+03 3.3162E-01 5.1039E+00 CB 2143 + + BOND = 107.3972 ANGLE = 261.8262 DIHED = 761.0525 + VDWAALS = -1433.5331 EEL = -10929.4685 EGB = -2541.9406 + 1-4 VDW = 479.5216 1-4 EEL = 5271.2514 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 208 -8.0240E+03 4.4398E-01 7.4535E+00 CB 2143 + + BOND = 107.3549 ANGLE = 262.0420 DIHED = 761.0478 + VDWAALS = -1433.7049 EEL = -10929.2315 EGB = -2541.9861 + 1-4 VDW = 479.6431 1-4 EEL = 5270.8154 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 209 -8.0248E+03 4.9553E-01 9.3443E+00 CD 1710 + + BOND = 106.4002 ANGLE = 261.6622 DIHED = 760.9345 + VDWAALS = -1434.3406 EEL = -10927.3015 EGB = -2542.1131 + 1-4 VDW = 480.0643 1-4 EEL = 5269.9208 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 210 -8.0248E+03 4.3236E-01 7.4119E+00 CD 1710 + + BOND = 106.4447 ANGLE = 261.6803 DIHED = 760.9434 + VDWAALS = -1434.2657 EEL = -10927.5343 EGB = -2542.0975 + 1-4 VDW = 480.0124 1-4 EEL = 5270.0288 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 211 -8.0256E+03 4.0399E-01 5.3982E+00 CD 1710 + + BOND = 105.4738 ANGLE = 261.5369 DIHED = 760.8263 + VDWAALS = -1434.5876 EEL = -10926.8939 EGB = -2541.8417 + 1-4 VDW = 480.2554 1-4 EEL = 5269.6752 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 212 -8.0256E+03 4.2166E-01 5.9727E+00 CD 1710 + + BOND = 105.4521 ANGLE = 261.5391 DIHED = 760.8227 + VDWAALS = -1434.6014 EEL = -10926.8652 EGB = -2541.8303 + 1-4 VDW = 480.2667 1-4 EEL = 5269.6594 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 213 -8.0263E+03 4.0280E-01 4.8073E+00 CG 2018 + + BOND = 105.0974 ANGLE = 261.1705 DIHED = 760.7192 + VDWAALS = -1434.8205 EEL = -10927.1250 EGB = -2541.5441 + 1-4 VDW = 480.4450 1-4 EEL = 5269.7823 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 214 -8.0263E+03 3.9173E-01 4.5215E+00 CG 2018 + + BOND = 105.0948 ANGLE = 261.1749 DIHED = 760.7204 + VDWAALS = -1434.8150 EEL = -10927.1180 EGB = -2541.5517 + 1-4 VDW = 480.4399 1-4 EEL = 5269.7790 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 215 -8.0270E+03 3.8210E-01 4.6264E+00 CA 2141 + + BOND = 105.2227 ANGLE = 259.8885 DIHED = 760.5022 + VDWAALS = -1434.7534 EEL = -10928.1614 EGB = -2540.8405 + 1-4 VDW = 480.7218 1-4 EEL = 5270.3941 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 216 -8.0271E+03 4.6634E-01 6.3439E+00 CD2 2535 + + BOND = 105.3477 ANGLE = 259.6133 DIHED = 760.4613 + VDWAALS = -1434.7332 EEL = -10928.4193 EGB = -2540.6660 + 1-4 VDW = 480.7938 1-4 EEL = 5270.5459 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 217 -8.0279E+03 3.8016E-01 4.7855E+00 OD1 2546 + + BOND = 104.9474 ANGLE = 258.3767 DIHED = 760.2195 + VDWAALS = -1434.5801 EEL = -10929.3182 EGB = -2540.1669 + 1-4 VDW = 481.3364 1-4 EEL = 5271.3185 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 218 -8.0279E+03 3.9145E-01 4.9410E+00 CG 174 + + BOND = 104.9494 ANGLE = 258.3459 DIHED = 760.2139 + VDWAALS = -1434.5745 EEL = -10929.3457 EGB = -2540.1519 + 1-4 VDW = 481.3534 1-4 EEL = 5271.3421 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 219 -8.0285E+03 3.3087E-01 4.7435E+00 CG 174 + + BOND = 104.7690 ANGLE = 258.0885 DIHED = 760.1010 + VDWAALS = -1434.5540 EEL = -10930.1900 EGB = -2539.8617 + 1-4 VDW = 481.7700 1-4 EEL = 5271.3991 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 220 -8.0285E+03 3.5022E-01 5.3346E+00 CG 174 + + BOND = 104.7808 ANGLE = 258.0821 DIHED = 760.0962 + VDWAALS = -1434.5518 EEL = -10930.2417 EGB = -2539.8441 + 1-4 VDW = 481.7959 1-4 EEL = 5271.4026 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 221 -8.0289E+03 3.1429E-01 6.2940E+00 CG 174 + + BOND = 105.1560 ANGLE = 257.8888 DIHED = 759.9825 + VDWAALS = -1434.7389 EEL = -10930.5682 EGB = -2539.8427 + 1-4 VDW = 482.1386 1-4 EEL = 5271.0375 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 222 -8.0289E+03 2.9655E-01 5.6605E+00 CG 174 + + BOND = 105.1182 ANGLE = 257.8919 DIHED = 759.9872 + VDWAALS = -1434.7294 EEL = -10930.5502 EGB = -2539.8426 + 1-4 VDW = 482.1197 1-4 EEL = 5271.0573 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 223 -8.0293E+03 2.7169E-01 7.2962E+00 CG 174 + + BOND = 105.2911 ANGLE = 258.0302 DIHED = 759.8261 + VDWAALS = -1434.7281 EEL = -10930.9564 EGB = -2539.8948 + 1-4 VDW = 482.2945 1-4 EEL = 5270.7952 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 224 -8.0294E+03 3.1927E-01 9.8110E+00 CG 174 + + BOND = 105.3680 ANGLE = 258.0758 DIHED = 759.7974 + VDWAALS = -1434.7263 EEL = -10931.0358 EGB = -2539.9053 + 1-4 VDW = 482.3288 1-4 EEL = 5270.7445 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 225 -8.0298E+03 4.3511E-01 1.0888E+01 CG 174 + + BOND = 105.5239 ANGLE = 258.2452 DIHED = 759.6032 + VDWAALS = -1434.6685 EEL = -10931.5066 EGB = -2539.9435 + 1-4 VDW = 482.3818 1-4 EEL = 5270.5940 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 226 -8.0298E+03 4.0751E-01 9.5738E+00 CG 174 + + BOND = 105.5017 ANGLE = 258.2203 DIHED = 759.6038 + VDWAALS = -1434.6697 EEL = -10931.5185 EGB = -2539.9278 + 1-4 VDW = 482.3730 1-4 EEL = 5270.6006 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 227 -8.0299E+03 3.7674E-01 8.0901E+00 CG 174 + + BOND = 105.4778 ANGLE = 258.1909 DIHED = 759.6045 + VDWAALS = -1434.6710 EEL = -10931.5326 EGB = -2539.9090 + 1-4 VDW = 482.3619 1-4 EEL = 5270.6091 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 228 -8.0299E+03 3.4347E-01 6.4571E+00 CG 174 + + BOND = 105.4526 ANGLE = 258.1566 DIHED = 759.6052 + VDWAALS = -1434.6722 EEL = -10931.5492 EGB = -2539.8863 + 1-4 VDW = 482.3480 1-4 EEL = 5270.6201 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 229 -8.0300E+03 3.0905E-01 4.7318E+00 CG 174 + + BOND = 105.4261 ANGLE = 258.1170 DIHED = 759.6058 + VDWAALS = -1434.6733 EEL = -10931.5684 EGB = -2539.8592 + 1-4 VDW = 482.3304 1-4 EEL = 5270.6345 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 230 -8.0302E+03 5.3941E-01 1.9478E+01 CG 174 + + BOND = 105.6059 ANGLE = 257.6464 DIHED = 759.6235 + VDWAALS = -1434.6768 EEL = -10931.8806 EGB = -2539.4051 + 1-4 VDW = 482.0164 1-4 EEL = 5270.9039 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 231 -8.0303E+03 3.0569E-01 1.0017E+01 CG 174 + + BOND = 105.3876 ANGLE = 257.7878 DIHED = 759.6131 + VDWAALS = -1434.6765 EEL = -10931.7587 EGB = -2539.5818 + 1-4 VDW = 482.1382 1-4 EEL = 5270.7986 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 232 -8.0306E+03 2.6308E-01 5.2732E+00 CG 174 + + BOND = 105.0187 ANGLE = 257.6749 DIHED = 759.5848 + VDWAALS = -1434.6174 EEL = -10931.8625 EGB = -2539.3602 + 1-4 VDW = 481.8538 1-4 EEL = 5271.0860 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 233 -8.0306E+03 2.8878E-01 6.8691E+00 CG 174 + + BOND = 105.0011 ANGLE = 257.6718 DIHED = 759.5832 + VDWAALS = -1434.6109 EEL = -10931.8733 EGB = -2539.3372 + 1-4 VDW = 481.8244 1-4 EEL = 5271.1160 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 234 -8.0310E+03 2.4311E-01 3.1084E+00 OD2 2547 + + BOND = 104.7462 ANGLE = 257.7778 DIHED = 759.4610 + VDWAALS = -1434.5014 EEL = -10932.1605 EGB = -2539.1735 + 1-4 VDW = 481.5211 1-4 EEL = 5271.2999 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 235 -8.0311E+03 3.3863E-01 6.0357E+00 CG 174 + + BOND = 104.7134 ANGLE = 257.8765 DIHED = 759.4067 + VDWAALS = -1434.4413 EEL = -10932.3118 EGB = -2539.0878 + 1-4 VDW = 481.3631 1-4 EEL = 5271.3971 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 236 -8.0316E+03 3.1635E-01 4.2651E+00 CB 2542 + + BOND = 104.9391 ANGLE = 258.1576 DIHED = 759.2379 + VDWAALS = -1434.4901 EEL = -10932.5397 EGB = -2539.0449 + 1-4 VDW = 480.9103 1-4 EEL = 5271.2085 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 237 -8.0316E+03 3.7180E-01 5.3981E+00 CG 174 + + BOND = 105.0387 ANGLE = 258.2367 DIHED = 759.2107 + VDWAALS = -1434.4978 EEL = -10932.5835 EGB = -2539.0369 + 1-4 VDW = 480.8241 1-4 EEL = 5271.1721 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 238 -8.0323E+03 3.1781E-01 3.6431E+00 CD2 2535 + + BOND = 105.0860 ANGLE = 259.2680 DIHED = 759.0917 + VDWAALS = -1434.5461 EEL = -10932.9931 EGB = -2539.1128 + 1-4 VDW = 480.3142 1-4 EEL = 5270.5874 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 239 -8.0323E+03 3.8714E-01 5.6369E+00 CG 174 + + BOND = 105.1799 ANGLE = 259.5703 DIHED = 759.0735 + VDWAALS = -1434.5546 EEL = -10933.0964 EGB = -2539.1328 + 1-4 VDW = 480.1874 1-4 EEL = 5270.4394 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 240 -8.0327E+03 5.0337E-01 8.1250E+00 CG 174 + + BOND = 105.0787 ANGLE = 260.7824 DIHED = 758.9263 + VDWAALS = -1434.4067 EEL = -10933.4130 EGB = -2539.4030 + 1-4 VDW = 479.7469 1-4 EEL = 5269.9513 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 241 -8.0328E+03 3.3362E-01 4.4114E+00 CD 1710 + + BOND = 104.9742 ANGLE = 260.3676 DIHED = 758.9548 + VDWAALS = -1434.4549 EEL = -10933.3192 EGB = -2539.3212 + 1-4 VDW = 479.8759 1-4 EEL = 5270.0966 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 242 -8.0333E+03 2.6673E-01 3.4321E+00 OD2 2547 + + BOND = 105.3960 ANGLE = 260.1981 DIHED = 758.7722 + VDWAALS = -1434.2082 EEL = -10934.1221 EGB = -2539.1804 + 1-4 VDW = 479.6909 1-4 EEL = 5270.1406 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 243 -8.0334E+03 3.5746E-01 5.9649E+00 CD 1710 + + BOND = 105.6884 ANGLE = 260.1710 DIHED = 758.7021 + VDWAALS = -1434.0917 EEL = -10934.4886 EGB = -2539.1167 + 1-4 VDW = 479.6084 1-4 EEL = 5270.1613 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 244 -8.0339E+03 3.5757E-01 7.1284E+00 CD 1710 + + BOND = 106.6521 ANGLE = 260.0693 DIHED = 758.4712 + VDWAALS = -1433.5858 EEL = -10936.5278 EGB = -2538.8881 + 1-4 VDW = 479.2388 1-4 EEL = 5270.6580 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 245 -8.0339E+03 3.5904E-01 7.1824E+00 CD 1710 + + BOND = 106.6576 ANGLE = 260.0694 DIHED = 758.4703 + VDWAALS = -1433.5836 EEL = -10936.5362 EGB = -2538.8871 + 1-4 VDW = 479.2373 1-4 EEL = 5270.6600 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 246 -8.0345E+03 3.8513E-01 7.3088E+00 CD 1710 + + BOND = 107.2797 ANGLE = 259.9702 DIHED = 758.2067 + VDWAALS = -1433.0182 EEL = -10938.7799 EGB = -2538.4097 + 1-4 VDW = 478.8231 1-4 EEL = 5271.4640 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 247 -8.0345E+03 3.8533E-01 7.3163E+00 CD 1710 + + BOND = 107.2802 ANGLE = 259.9702 DIHED = 758.2065 + VDWAALS = -1433.0179 EEL = -10938.7811 EGB = -2538.4095 + 1-4 VDW = 478.8228 1-4 EEL = 5271.4644 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 248 -8.0351E+03 3.2174E-01 3.6539E+00 CD 1710 + + BOND = 107.4264 ANGLE = 259.2942 DIHED = 757.8848 + VDWAALS = -1432.6952 EEL = -10940.0997 EGB = -2537.8409 + 1-4 VDW = 478.5495 1-4 EEL = 5272.3672 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 249 -8.0351E+03 3.7829E-01 5.8514E+00 CD 1710 + + BOND = 107.5228 ANGLE = 259.1933 DIHED = 757.8272 + VDWAALS = -1432.6282 EEL = -10940.3641 EGB = -2537.7278 + 1-4 VDW = 478.4954 1-4 EEL = 5272.5490 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 250 -8.0359E+03 5.2411E-01 7.7935E+00 CB 2143 + + BOND = 107.7611 ANGLE = 258.7882 DIHED = 757.4364 + VDWAALS = -1432.5357 EEL = -10941.6226 EGB = -2537.0899 + 1-4 VDW = 478.3728 1-4 EEL = 5273.0079 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 251 -8.0359E+03 4.9555E-01 7.4131E+00 CB 2143 + + BOND = 107.7131 ANGLE = 258.8061 DIHED = 757.4370 + VDWAALS = -1432.5435 EEL = -10941.6192 EGB = -2537.1018 + 1-4 VDW = 478.3761 1-4 EEL = 5272.9871 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 252 -8.0360E+03 4.6334E-01 6.9570E+00 CB 2143 + + BOND = 107.6598 ANGLE = 258.8283 DIHED = 757.4376 + VDWAALS = -1432.5534 EEL = -10941.6143 EGB = -2537.1160 + 1-4 VDW = 478.3804 1-4 EEL = 5272.9611 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 253 -8.0361E+03 4.2786E-01 6.4127E+00 CB 2143 + + BOND = 107.6015 ANGLE = 258.8557 DIHED = 757.4381 + VDWAALS = -1432.5660 EEL = -10941.6072 EGB = -2537.1329 + 1-4 VDW = 478.3861 1-4 EEL = 5272.9285 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 254 -8.0362E+03 3.9012E-01 5.7687E+00 CB 2143 + + BOND = 107.5389 ANGLE = 258.8893 DIHED = 757.4384 + VDWAALS = -1432.5822 EEL = -10941.5966 EGB = -2537.1528 + 1-4 VDW = 478.3937 1-4 EEL = 5272.8874 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 255 -8.0367E+03 3.8105E-01 5.2881E+00 CD 1710 + + BOND = 107.2280 ANGLE = 259.3968 DIHED = 757.4476 + VDWAALS = -1432.7903 EEL = -10941.4365 EGB = -2537.3844 + 1-4 VDW = 478.4993 1-4 EEL = 5272.3684 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 256 -8.0367E+03 3.7132E-01 5.0919E+00 CD 1710 + + BOND = 107.2264 ANGLE = 259.3812 DIHED = 757.4471 + VDWAALS = -1432.7851 EEL = -10941.4405 EGB = -2537.3785 + 1-4 VDW = 478.4966 1-4 EEL = 5272.3814 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 257 -8.0372E+03 2.7459E-01 4.7176E+00 CB 2143 + + BOND = 106.8175 ANGLE = 259.7030 DIHED = 757.4173 + VDWAALS = -1433.1425 EEL = -10940.8901 EGB = -2537.4949 + 1-4 VDW = 478.7222 1-4 EEL = 5271.6444 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 258 -8.0373E+03 3.4016E-01 5.7038E+00 CB 2143 + + BOND = 106.7715 ANGLE = 259.8471 DIHED = 757.4176 + VDWAALS = -1433.2502 EEL = -10940.7218 EGB = -2537.5310 + 1-4 VDW = 478.7929 1-4 EEL = 5271.4189 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 259 -8.0377E+03 3.5854E-01 6.8625E+00 CD 1710 + + BOND = 105.9913 ANGLE = 259.6864 DIHED = 757.3424 + VDWAALS = -1433.7404 EEL = -10939.3503 EGB = -2537.5827 + 1-4 VDW = 479.1087 1-4 EEL = 5270.8293 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 260 -8.0377E+03 3.3474E-01 6.0839E+00 CD 1710 + + BOND = 106.0204 ANGLE = 259.6882 DIHED = 757.3458 + VDWAALS = -1433.7094 EEL = -10939.4386 EGB = -2537.5793 + 1-4 VDW = 479.0880 1-4 EEL = 5270.8672 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 261 -8.0382E+03 3.2101E-01 5.1220E+00 CD 1710 + + BOND = 105.3080 ANGLE = 259.5876 DIHED = 757.2759 + VDWAALS = -1434.0148 EEL = -10938.7824 EGB = -2537.4336 + 1-4 VDW = 479.2776 1-4 EEL = 5270.6063 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 262 -8.0382E+03 3.2492E-01 5.2594E+00 CD 1710 + + BOND = 105.3029 ANGLE = 259.5878 DIHED = 757.2753 + VDWAALS = -1434.0184 EEL = -10938.7744 EGB = -2537.4319 + 1-4 VDW = 479.2800 1-4 EEL = 5270.6031 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 263 -8.0386E+03 3.1663E-01 4.0032E+00 CD 1710 + + BOND = 105.1005 ANGLE = 259.2182 DIHED = 757.2139 + VDWAALS = -1434.1857 EEL = -10938.9696 EGB = -2537.1764 + 1-4 VDW = 479.4178 1-4 EEL = 5270.7869 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 264 -8.0386E+03 3.0462E-01 3.7184E+00 CA 2141 + + BOND = 105.0980 ANGLE = 259.2275 DIHED = 757.2149 + VDWAALS = -1434.1797 EEL = -10938.9624 EGB = -2537.1858 + 1-4 VDW = 479.4125 1-4 EEL = 5270.7801 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 265 -8.0391E+03 2.8805E-01 3.5390E+00 CD2 2535 + + BOND = 105.2527 ANGLE = 258.1990 DIHED = 757.0543 + VDWAALS = -1434.1815 EEL = -10939.5212 EGB = -2536.7310 + 1-4 VDW = 479.6426 1-4 EEL = 5271.2333 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 266 -8.0391E+03 3.6185E-01 5.1344E+00 CD2 2535 + + BOND = 105.3644 ANGLE = 257.9262 DIHED = 757.0166 + VDWAALS = -1434.1796 EEL = -10939.6856 EGB = -2536.5977 + 1-4 VDW = 479.7120 1-4 EEL = 5271.3668 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 267 -8.0396E+03 3.1272E-01 4.2915E+00 CG 174 + + BOND = 105.0821 ANGLE = 256.9531 DIHED = 756.8339 + VDWAALS = -1434.1470 EEL = -10940.1684 EGB = -2536.2326 + 1-4 VDW = 480.1629 1-4 EEL = 5271.9578 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 268 -8.0396E+03 3.1026E-01 4.2183E+00 CG 174 + + BOND = 105.0820 ANGLE = 256.9596 DIHED = 756.8350 + VDWAALS = -1434.1474 EEL = -10940.1646 EGB = -2536.2355 + 1-4 VDW = 480.1593 1-4 EEL = 5271.9531 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 269 -8.0399E+03 2.5894E-01 3.5837E+00 CG 174 + + BOND = 104.9504 ANGLE = 256.7629 DIHED = 756.7498 + VDWAALS = -1434.2738 EEL = -10940.5224 EGB = -2536.0722 + 1-4 VDW = 480.5199 1-4 EEL = 5271.9361 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 270 -8.0400E+03 2.8353E-01 4.3771E+00 CG 174 + + BOND = 104.9601 ANGLE = 256.7528 DIHED = 756.7434 + VDWAALS = -1434.2861 EEL = -10940.5588 EGB = -2536.0557 + 1-4 VDW = 480.5571 1-4 EEL = 5271.9344 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 271 -8.0403E+03 2.6372E-01 5.0874E+00 CG 174 + + BOND = 105.2065 ANGLE = 256.7298 DIHED = 756.6499 + VDWAALS = -1434.5675 EEL = -10940.6943 EGB = -2536.0941 + 1-4 VDW = 480.8961 1-4 EEL = 5271.6132 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 272 -8.0403E+03 2.4470E-01 4.4335E+00 CG 174 + + BOND = 105.1748 ANGLE = 256.7250 DIHED = 756.6549 + VDWAALS = -1434.5483 EEL = -10940.6849 EGB = -2536.0913 + 1-4 VDW = 480.8724 1-4 EEL = 5271.6354 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 273 -8.0405E+03 2.2344E-01 5.4766E+00 CG 174 + + BOND = 105.2528 ANGLE = 256.9192 DIHED = 756.5193 + VDWAALS = -1434.6668 EEL = -10940.8352 EGB = -2536.1633 + 1-4 VDW = 481.0561 1-4 EEL = 5271.3811 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 274 -8.0405E+03 2.6715E-01 7.6513E+00 CG 174 + + BOND = 105.3037 ANGLE = 256.9764 DIHED = 756.4917 + VDWAALS = -1434.6923 EEL = -10940.8682 EGB = -2536.1794 + 1-4 VDW = 481.0968 1-4 EEL = 5271.3255 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 275 -8.0409E+03 3.6480E-01 8.4560E+00 CG 174 + + BOND = 105.3644 ANGLE = 257.1146 DIHED = 756.3278 + VDWAALS = -1434.7858 EEL = -10941.0419 EGB = -2536.1708 + 1-4 VDW = 481.1518 1-4 EEL = 5271.1671 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 276 -8.0409E+03 3.3798E-01 7.2350E+00 CG 174 + + BOND = 105.3479 ANGLE = 257.0906 DIHED = 756.3286 + VDWAALS = -1434.7873 EEL = -10941.0491 EGB = -2536.1569 + 1-4 VDW = 481.1419 1-4 EEL = 5271.1729 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 277 -8.0410E+03 3.0862E-01 5.8777E+00 CG 174 + + BOND = 105.3308 ANGLE = 257.0622 DIHED = 756.3295 + VDWAALS = -1434.7887 EEL = -10941.0576 EGB = -2536.1401 + 1-4 VDW = 481.1295 1-4 EEL = 5271.1804 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 278 -8.0410E+03 2.7775E-01 4.4217E+00 CG 174 + + BOND = 105.3132 ANGLE = 257.0289 DIHED = 756.3304 + VDWAALS = -1434.7900 EEL = -10941.0675 EGB = -2536.1197 + 1-4 VDW = 481.1139 1-4 EEL = 5271.1904 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 279 -8.0411E+03 2.4714E-01 3.0122E+00 CG 2545 + + BOND = 105.2952 ANGLE = 256.9904 DIHED = 756.3313 + VDWAALS = -1434.7908 EEL = -10941.0788 EGB = -2536.0950 + 1-4 VDW = 481.0939 1-4 EEL = 5271.2039 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 280 -8.0410E+03 6.4557E-01 2.0951E+01 CG 174 + + BOND = 105.7093 ANGLE = 256.4595 DIHED = 756.3631 + VDWAALS = -1434.7815 EEL = -10941.3052 EGB = -2535.5771 + 1-4 VDW = 480.6507 1-4 EEL = 5271.5240 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 281 -8.0413E+03 2.6318E-01 7.9833E+00 CG 174 + + BOND = 105.2856 ANGLE = 256.6836 DIHED = 756.3395 + VDWAALS = -1434.7880 EEL = -10941.1825 EGB = -2535.8571 + 1-4 VDW = 480.8897 1-4 EEL = 5271.3503 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 282 -8.0415E+03 2.4304E-01 5.6176E+00 CG 174 + + BOND = 105.0174 ANGLE = 256.5468 DIHED = 756.3139 + VDWAALS = -1434.7108 EEL = -10941.2404 EGB = -2535.6490 + 1-4 VDW = 480.6081 1-4 EEL = 5271.5954 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 283 -8.0415E+03 2.5222E-01 6.1429E+00 CG 174 + + BOND = 105.0130 ANGLE = 256.5439 DIHED = 756.3133 + VDWAALS = -1434.7077 EEL = -10941.2426 EGB = -2535.6410 + 1-4 VDW = 480.5973 1-4 EEL = 5271.6049 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 284 -8.0418E+03 2.0764E-01 2.5651E+00 OD2 2547 + + BOND = 104.8699 ANGLE = 256.5810 DIHED = 756.2158 + VDWAALS = -1434.6242 EEL = -10941.3953 EGB = -2535.5050 + 1-4 VDW = 480.3236 1-4 EEL = 5271.7141 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 285 -8.0419E+03 2.8924E-01 5.2581E+00 CG 174 + + BOND = 104.8692 ANGLE = 256.6337 DIHED = 756.1713 + VDWAALS = -1434.5774 EEL = -10941.4774 EGB = -2535.4322 + 1-4 VDW = 480.1775 1-4 EEL = 5271.7732 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 286 -8.0423E+03 2.7597E-01 3.6336E+00 CB 2542 + + BOND = 105.0853 ANGLE = 256.9366 DIHED = 756.0484 + VDWAALS = -1434.6583 EEL = -10941.5631 EGB = -2535.4277 + 1-4 VDW = 479.7804 1-4 EEL = 5271.5440 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 287 -8.0423E+03 3.1555E-01 4.8368E+00 CG 174 + + BOND = 105.1521 ANGLE = 256.9986 DIHED = 756.0327 + VDWAALS = -1434.6698 EEL = -10941.5762 EGB = -2535.4272 + 1-4 VDW = 479.7198 1-4 EEL = 5271.5086 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 288 -8.0427E+03 2.6863E-01 3.3177E+00 CA 2141 + + BOND = 105.1432 ANGLE = 257.9387 DIHED = 755.9583 + VDWAALS = -1434.7863 EEL = -10941.7460 EGB = -2535.5102 + 1-4 VDW = 479.3139 1-4 EEL = 5270.9552 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 289 -8.0427E+03 3.1787E-01 4.8621E+00 CG 174 + + BOND = 105.1904 ANGLE = 258.1582 DIHED = 755.9502 + VDWAALS = -1434.8085 EEL = -10941.7811 EGB = -2535.5280 + 1-4 VDW = 479.2308 1-4 EEL = 5270.8402 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 290 -8.0430E+03 4.3395E-01 7.6236E+00 CG 174 + + BOND = 105.0601 ANGLE = 259.1462 DIHED = 755.8326 + VDWAALS = -1434.8089 EEL = -10941.8335 EGB = -2535.7542 + 1-4 VDW = 478.9223 1-4 EEL = 5270.4127 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 291 -8.0431E+03 2.8535E-01 3.8133E+00 CG 174 + + BOND = 105.0039 ANGLE = 258.8065 DIHED = 755.8571 + VDWAALS = -1434.8114 EEL = -10941.8179 EGB = -2535.6843 + 1-4 VDW = 479.0148 1-4 EEL = 5270.5430 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 292 -8.0434E+03 2.3097E-01 2.6735E+00 OD2 2547 + + BOND = 105.3602 ANGLE = 258.7369 DIHED = 755.7012 + VDWAALS = -1434.6707 EEL = -10942.4515 EGB = -2535.5694 + 1-4 VDW = 478.8694 1-4 EEL = 5270.5748 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 293 -8.0435E+03 3.0636E-01 5.1833E+00 CD 1710 + + BOND = 105.5821 ANGLE = 258.7432 DIHED = 755.6440 + VDWAALS = -1434.6083 EEL = -10942.7224 EGB = -2535.5209 + 1-4 VDW = 478.8087 1-4 EEL = 5270.5889 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 294 -8.0439E+03 3.0807E-01 6.1484E+00 CD 1710 + + BOND = 106.3536 ANGLE = 258.6959 DIHED = 755.4568 + VDWAALS = -1434.3051 EEL = -10944.2398 EGB = -2535.3429 + 1-4 VDW = 478.4960 1-4 EEL = 5270.9987 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 295 -8.0439E+03 3.0994E-01 6.2176E+00 CD 1710 + + BOND = 106.3599 ANGLE = 258.6962 DIHED = 755.4558 + VDWAALS = -1434.3032 EEL = -10944.2490 EGB = -2535.3418 + 1-4 VDW = 478.4941 1-4 EEL = 5271.0013 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 296 -8.0443E+03 3.2440E-01 6.1485E+00 CD 1710 + + BOND = 106.8598 ANGLE = 258.5290 DIHED = 755.2506 + VDWAALS = -1433.9331 EEL = -10945.9141 EGB = -2534.9143 + 1-4 VDW = 478.1347 1-4 EEL = 5271.6811 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 297 -8.0443E+03 3.3563E-01 6.5840E+00 CD 1710 + + BOND = 106.8867 ANGLE = 258.5270 DIHED = 755.2442 + VDWAALS = -1433.9198 EEL = -10945.9727 EGB = -2534.8994 + 1-4 VDW = 478.1221 1-4 EEL = 5271.7051 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 298 -8.0448E+03 2.8501E-01 3.4341E+00 CD 1710 + + BOND = 107.0602 ANGLE = 257.8881 DIHED = 754.9915 + VDWAALS = -1433.7529 EEL = -10946.8529 EGB = -2534.4393 + 1-4 VDW = 477.8770 1-4 EEL = 5272.4367 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 299 -8.0448E+03 3.2817E-01 5.1231E+00 CD 1710 + + BOND = 107.1331 ANGLE = 257.8024 DIHED = 754.9532 + VDWAALS = -1433.7238 EEL = -10947.0015 EGB = -2534.3622 + 1-4 VDW = 477.8361 1-4 EEL = 5272.5607 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 300 -8.0454E+03 4.4006E-01 6.8088E+00 CB 2143 + + BOND = 107.3242 ANGLE = 257.4989 DIHED = 754.6631 + VDWAALS = -1433.7473 EEL = -10947.9140 EGB = -2533.8606 + 1-4 VDW = 477.7303 1-4 EEL = 5272.8948 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 301 -8.0455E+03 4.1363E-01 6.4217E+00 CB 2143 + + BOND = 107.2841 ANGLE = 257.5179 DIHED = 754.6638 + VDWAALS = -1433.7558 EEL = -10947.9078 EGB = -2533.8721 + 1-4 VDW = 477.7340 1-4 EEL = 5272.8735 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 302 -8.0455E+03 3.8426E-01 5.9595E+00 CB 2143 + + BOND = 107.2396 ANGLE = 257.5414 DIHED = 754.6646 + VDWAALS = -1433.7666 EEL = -10947.8997 EGB = -2533.8857 + 1-4 VDW = 477.7389 1-4 EEL = 5272.8469 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 303 -8.0456E+03 3.5257E-01 5.4113E+00 CB 2143 + + BOND = 107.1911 ANGLE = 257.5705 DIHED = 754.6653 + VDWAALS = -1433.7801 EEL = -10947.8892 EGB = -2533.9016 + 1-4 VDW = 477.7454 1-4 EEL = 5272.8136 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 304 -8.0457E+03 3.1984E-01 4.7698E+00 CB 2143 + + BOND = 107.1392 ANGLE = 257.6062 DIHED = 754.6659 + VDWAALS = -1433.7975 EEL = -10947.8748 EGB = -2533.9202 + 1-4 VDW = 477.7541 1-4 EEL = 5272.7719 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 305 -8.0460E+03 4.4640E-01 6.2569E+00 CD 1710 + + BOND = 106.8918 ANGLE = 258.2824 DIHED = 754.6857 + VDWAALS = -1434.0706 EEL = -10947.6281 EGB = -2534.1835 + 1-4 VDW = 477.9041 1-4 EEL = 5272.1210 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 306 -8.0460E+03 3.3037E-01 4.3318E+00 CD 1710 + + BOND = 106.8643 ANGLE = 258.0914 DIHED = 754.6772 + VDWAALS = -1434.0055 EEL = -10947.6872 EGB = -2534.1200 + 1-4 VDW = 477.8674 1-4 EEL = 5272.2773 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 307 -8.0465E+03 2.6109E-01 4.5713E+00 CB 2143 + + BOND = 106.4521 ANGLE = 258.4640 DIHED = 754.6571 + VDWAALS = -1434.3442 EEL = -10947.2006 EGB = -2534.2057 + 1-4 VDW = 478.1101 1-4 EEL = 5271.5957 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 308 -8.0465E+03 2.9773E-01 4.9545E+00 CB 2143 + + BOND = 106.4223 ANGLE = 258.5425 DIHED = 754.6583 + VDWAALS = -1434.3968 EEL = -10947.1240 EGB = -2534.2194 + 1-4 VDW = 478.1491 1-4 EEL = 5271.4883 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 309 -8.0468E+03 2.9667E-01 5.5115E+00 CD 1710 + + BOND = 105.7419 ANGLE = 258.4452 DIHED = 754.6061 + VDWAALS = -1434.7908 EEL = -10946.0368 EGB = -2534.2735 + 1-4 VDW = 478.4252 1-4 EEL = 5271.0418 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 310 -8.0468E+03 2.9408E-01 5.4239E+00 CD 1710 + + BOND = 105.7457 ANGLE = 258.4452 DIHED = 754.6064 + VDWAALS = -1434.7874 EEL = -10946.0462 EGB = -2534.2730 + 1-4 VDW = 478.4228 1-4 EEL = 5271.0457 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 311 -8.0472E+03 2.8710E-01 5.0868E+00 CD 1710 + + BOND = 105.1713 ANGLE = 258.3219 DIHED = 754.5665 + VDWAALS = -1435.0039 EEL = -10945.6856 EGB = -2534.0787 + 1-4 VDW = 478.5915 1-4 EEL = 5270.9233 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 312 -8.0472E+03 2.8472E-01 5.0003E+00 CD 1710 + + BOND = 105.1741 ANGLE = 258.3221 DIHED = 754.5667 + VDWAALS = -1435.0022 EEL = -10945.6886 EGB = -2534.0803 + 1-4 VDW = 478.5901 1-4 EEL = 5270.9243 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 313 -8.0475E+03 2.8333E-01 4.0582E+00 CD 1710 + + BOND = 105.0775 ANGLE = 257.8814 DIHED = 754.5297 + VDWAALS = -1435.1283 EEL = -10945.8978 EGB = -2533.8450 + 1-4 VDW = 478.7140 1-4 EEL = 5271.1590 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 314 -8.0475E+03 2.6836E-01 3.6098E+00 CA 2141 + + BOND = 105.0717 ANGLE = 257.8996 DIHED = 754.5301 + VDWAALS = -1435.1221 EEL = -10945.8871 EGB = -2533.8570 + 1-4 VDW = 478.7074 1-4 EEL = 5271.1469 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 315 -8.0479E+03 2.4567E-01 2.9931E+00 CD2 2535 + + BOND = 105.2135 ANGLE = 256.9981 DIHED = 754.4050 + VDWAALS = -1435.0922 EEL = -10946.4658 EGB = -2533.4439 + 1-4 VDW = 478.9166 1-4 EEL = 5271.6038 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 316 -8.0479E+03 3.1398E-01 4.5797E+00 CG 174 + + BOND = 105.3159 ANGLE = 256.7285 DIHED = 754.3723 + VDWAALS = -1435.0803 EEL = -10946.6550 EGB = -2533.3092 + 1-4 VDW = 478.9866 1-4 EEL = 5271.7534 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 317 -8.0482E+03 2.9079E-01 4.4978E+00 CG 174 + + BOND = 105.0880 ANGLE = 255.8876 DIHED = 754.2359 + VDWAALS = -1435.0656 EEL = -10947.0628 EGB = -2533.0151 + 1-4 VDW = 479.4117 1-4 EEL = 5272.2783 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 318 -8.0482E+03 2.7145E-01 3.9172E+00 CG 174 + + BOND = 105.0878 ANGLE = 255.9344 DIHED = 754.2430 + VDWAALS = -1435.0671 EEL = -10947.0368 EGB = -2533.0338 + 1-4 VDW = 479.3841 1-4 EEL = 5272.2447 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 319 -8.0485E+03 2.2322E-01 3.0151E+00 CG 174 + + BOND = 104.9818 ANGLE = 255.7982 DIHED = 754.1899 + VDWAALS = -1435.1800 EEL = -10947.4184 EGB = -2532.8782 + 1-4 VDW = 479.7108 1-4 EEL = 5272.2535 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 320 -8.0485E+03 2.4891E-01 3.8848E+00 CG 174 + + BOND = 104.9900 ANGLE = 255.7902 DIHED = 754.1855 + VDWAALS = -1435.1936 EEL = -10947.4663 EGB = -2532.8589 + 1-4 VDW = 479.7523 1-4 EEL = 5272.2547 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 321 -8.0488E+03 2.3421E-01 4.3709E+00 CG 174 + + BOND = 105.1552 ANGLE = 255.8714 DIHED = 754.1212 + VDWAALS = -1435.4457 EEL = -10947.6233 EGB = -2532.9200 + 1-4 VDW = 480.0661 1-4 EEL = 5271.9930 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 322 -8.0488E+03 2.1591E-01 3.7546E+00 CG 174 + + BOND = 105.1306 ANGLE = 255.8599 DIHED = 754.1248 + VDWAALS = -1435.4271 EEL = -10947.6116 EGB = -2532.9154 + 1-4 VDW = 480.0425 1-4 EEL = 5272.0125 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 323 -8.0490E+03 1.9392E-01 4.3760E+00 CG 174 + + BOND = 105.1786 ANGLE = 256.0621 DIHED = 754.0200 + VDWAALS = -1435.5219 EEL = -10947.8131 EGB = -2532.9522 + 1-4 VDW = 480.2087 1-4 EEL = 5271.8180 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 324 -8.0490E+03 2.3545E-01 6.3607E+00 CG 174 + + BOND = 105.2198 ANGLE = 256.1237 DIHED = 753.9962 + VDWAALS = -1435.5446 EEL = -10947.8623 EGB = -2532.9615 + 1-4 VDW = 480.2496 1-4 EEL = 5271.7707 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 325 -8.0493E+03 3.2369E-01 7.3890E+00 CG 174 + + BOND = 105.2585 ANGLE = 256.2212 DIHED = 753.8724 + VDWAALS = -1435.6240 EEL = -10948.0553 EGB = -2532.9154 + 1-4 VDW = 480.2891 1-4 EEL = 5271.6657 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 326 -8.0493E+03 2.9630E-01 6.1650E+00 CG 174 + + BOND = 105.2433 ANGLE = 256.1992 DIHED = 753.8734 + VDWAALS = -1435.6246 EEL = -10948.0640 EGB = -2532.9012 + 1-4 VDW = 480.2788 1-4 EEL = 5271.6726 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 327 -8.0494E+03 2.6682E-01 4.8216E+00 CG 174 + + BOND = 105.2277 ANGLE = 256.1730 DIHED = 753.8746 + VDWAALS = -1435.6250 EEL = -10948.0741 EGB = -2532.8839 + 1-4 VDW = 480.2658 1-4 EEL = 5271.6816 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 328 -8.0494E+03 2.3668E-01 3.4137E+00 CG 174 + + BOND = 105.2120 ANGLE = 256.1421 DIHED = 753.8758 + VDWAALS = -1435.6249 EEL = -10948.0855 EGB = -2532.8628 + 1-4 VDW = 480.2492 1-4 EEL = 5271.6934 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 329 -8.0494E+03 2.0812E-01 2.3412E+00 CG 2545 + + BOND = 105.1959 ANGLE = 256.1059 DIHED = 753.8770 + VDWAALS = -1435.6240 EEL = -10948.0982 EGB = -2532.8375 + 1-4 VDW = 480.2280 1-4 EEL = 5271.7091 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 330 -8.0491E+03 7.2525E-01 2.1598E+01 CG 174 + + BOND = 105.7570 ANGLE = 255.5733 DIHED = 753.9291 + VDWAALS = -1435.5663 EEL = -10948.3760 EGB = -2532.2237 + 1-4 VDW = 479.6789 1-4 EEL = 5272.1339 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 331 -8.0496E+03 2.3454E-01 6.7073E+00 CG 174 + + BOND = 105.1783 ANGLE = 255.8309 DIHED = 753.8874 + VDWAALS = -1435.6044 EEL = -10948.2012 EGB = -2532.6089 + 1-4 VDW = 480.0227 1-4 EEL = 5271.8664 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 332 -8.0498E+03 2.2683E-01 5.5787E+00 CG 174 + + BOND = 104.9739 ANGLE = 255.6796 DIHED = 753.8652 + VDWAALS = -1435.5214 EEL = -10948.2336 EGB = -2532.4208 + 1-4 VDW = 479.7587 1-4 EEL = 5272.0810 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 333 -8.0498E+03 2.2878E-01 5.6849E+00 CG 174 + + BOND = 104.9732 ANGLE = 255.6787 DIHED = 753.8650 + VDWAALS = -1435.5207 EEL = -10948.2339 EGB = -2532.4192 + 1-4 VDW = 479.7565 1-4 EEL = 5272.0829 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 334 -8.0501E+03 1.8609E-01 2.1701E+00 OD2 2547 + + BOND = 104.9054 ANGLE = 255.6759 DIHED = 753.7856 + VDWAALS = -1435.4409 EEL = -10948.3740 EGB = -2532.2844 + 1-4 VDW = 479.5054 1-4 EEL = 5272.1653 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 335 -8.0501E+03 2.5757E-01 4.7038E+00 CG 174 + + BOND = 104.9302 ANGLE = 255.7006 DIHED = 753.7502 + VDWAALS = -1435.3971 EEL = -10948.4481 EGB = -2532.2135 + 1-4 VDW = 479.3737 1-4 EEL = 5272.2091 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 336 -8.0504E+03 2.4948E-01 3.3505E+00 CG 174 + + BOND = 105.1069 ANGLE = 256.0347 DIHED = 753.6650 + VDWAALS = -1435.4681 EEL = -10948.5200 EGB = -2532.2241 + 1-4 VDW = 479.0189 1-4 EEL = 5271.9799 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 337 -8.0504E+03 2.8012E-01 4.4045E+00 CG 174 + + BOND = 105.1527 ANGLE = 256.0889 DIHED = 753.6561 + VDWAALS = -1435.4767 EEL = -10948.5294 EGB = -2532.2256 + 1-4 VDW = 478.9730 1-4 EEL = 5271.9499 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 338 -8.0508E+03 2.3892E-01 3.2772E+00 CA 2141 + + BOND = 105.1062 ANGLE = 256.9593 DIHED = 753.6154 + VDWAALS = -1435.5809 EEL = -10948.6793 EGB = -2532.2891 + 1-4 VDW = 478.6352 1-4 EEL = 5271.4568 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 339 -8.0508E+03 2.7569E-01 4.2567E+00 CG 174 + + BOND = 105.1304 ANGLE = 257.1236 DIHED = 753.6133 + VDWAALS = -1435.5974 EEL = -10948.7048 EGB = -2532.3002 + 1-4 VDW = 478.5783 1-4 EEL = 5271.3725 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 340 -8.0510E+03 3.6957E-01 6.6076E+00 CG 174 + + BOND = 105.0277 ANGLE = 257.9065 DIHED = 753.5224 + VDWAALS = -1435.6103 EEL = -10948.7712 EGB = -2532.4597 + 1-4 VDW = 478.3519 1-4 EEL = 5271.0231 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 341 -8.0510E+03 2.5625E-01 3.6048E+00 CG 174 + + BOND = 104.9918 ANGLE = 257.6642 DIHED = 753.5396 + VDWAALS = -1435.6085 EEL = -10948.7531 EGB = -2532.4151 + 1-4 VDW = 478.4134 1-4 EEL = 5271.1195 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 342 -8.0513E+03 2.1047E-01 2.6821E+00 CA 2141 + + BOND = 105.3197 ANGLE = 257.6495 DIHED = 753.4059 + VDWAALS = -1435.4891 EEL = -10949.3604 EGB = -2532.3037 + 1-4 VDW = 478.2827 1-4 EEL = 5271.1531 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 343 -8.0514E+03 2.7392E-01 4.6543E+00 CD 1710 + + BOND = 105.4963 ANGLE = 257.6709 DIHED = 753.3619 + VDWAALS = -1435.4418 EEL = -10949.5923 EGB = -2532.2616 + 1-4 VDW = 478.2339 1-4 EEL = 5271.1662 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 344 -8.0517E+03 2.7840E-01 5.5751E+00 CD 1710 + + BOND = 106.1358 ANGLE = 257.6423 DIHED = 753.2156 + VDWAALS = -1435.1861 EEL = -10950.9316 EGB = -2532.0717 + 1-4 VDW = 477.9505 1-4 EEL = 5271.5577 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 345 -8.0517E+03 2.7809E-01 5.5639E+00 CD 1710 + + BOND = 106.1349 ANGLE = 257.6422 DIHED = 753.2158 + VDWAALS = -1435.1864 EEL = -10950.9301 EGB = -2532.0719 + 1-4 VDW = 477.9509 1-4 EEL = 5271.5573 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 346 -8.0520E+03 2.8510E-01 5.3913E+00 CD 1710 + + BOND = 106.5649 ANGLE = 257.4166 DIHED = 753.0613 + VDWAALS = -1434.8759 EEL = -10952.3387 EGB = -2531.6566 + 1-4 VDW = 477.6353 1-4 EEL = 5272.1638 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 347 -8.0520E+03 3.0169E-01 6.0474E+00 CD 1710 + + BOND = 106.6031 ANGLE = 257.4084 DIHED = 753.0532 + VDWAALS = -1434.8570 EEL = -10952.4231 EGB = -2531.6319 + 1-4 VDW = 477.6166 1-4 EEL = 5272.2002 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 348 -8.0524E+03 2.6272E-01 3.4163E+00 CD 1710 + + BOND = 106.7870 ANGLE = 256.8092 DIHED = 752.8591 + VDWAALS = -1434.7088 EEL = -10953.2184 EGB = -2531.2001 + 1-4 VDW = 477.4018 1-4 EEL = 5272.8537 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 349 -8.0524E+03 2.9446E-01 4.6559E+00 CD 1710 + + BOND = 106.8391 ANGLE = 256.7445 DIHED = 752.8364 + VDWAALS = -1434.6888 EEL = -10953.3228 EGB = -2531.1438 + 1-4 VDW = 477.3739 1-4 EEL = 5272.9397 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 350 -8.0529E+03 3.8320E-01 6.2062E+00 CB 2143 + + BOND = 106.9812 ANGLE = 256.5072 DIHED = 752.6247 + VDWAALS = -1434.7042 EEL = -10954.1255 EGB = -2530.7068 + 1-4 VDW = 477.2911 1-4 EEL = 5273.2005 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 351 -8.0530E+03 3.5845E-01 5.8081E+00 CB 2143 + + BOND = 106.9464 ANGLE = 256.5264 DIHED = 752.6255 + VDWAALS = -1434.7125 EEL = -10954.1209 EGB = -2530.7165 + 1-4 VDW = 477.2952 1-4 EEL = 5273.1803 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 352 -8.0530E+03 3.3129E-01 5.3344E+00 CB 2143 + + BOND = 106.9080 ANGLE = 256.5504 DIHED = 752.6264 + VDWAALS = -1434.7229 EEL = -10954.1146 EGB = -2530.7281 + 1-4 VDW = 477.3006 1-4 EEL = 5273.1551 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 353 -8.0531E+03 3.0251E-01 4.7761E+00 CB 2143 + + BOND = 106.8661 ANGLE = 256.5800 DIHED = 752.6272 + VDWAALS = -1434.7360 EEL = -10954.1059 EGB = -2530.7417 + 1-4 VDW = 477.3078 1-4 EEL = 5273.1233 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 354 -8.0531E+03 2.7353E-01 4.1302E+00 CB 2143 + + BOND = 106.8210 ANGLE = 256.6162 DIHED = 752.6279 + VDWAALS = -1434.7529 EEL = -10954.0936 EGB = -2530.7576 + 1-4 VDW = 477.3174 1-4 EEL = 5273.0833 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 355 -8.0533E+03 5.0161E-01 6.6739E+00 CD 1710 + + BOND = 106.6214 ANGLE = 257.4471 DIHED = 752.6590 + VDWAALS = -1435.0707 EEL = -10953.8279 EGB = -2531.0274 + 1-4 VDW = 477.5160 1-4 EEL = 5272.3394 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 356 -8.0535E+03 2.9861E-01 3.7130E+00 CD 1710 + + BOND = 106.5655 ANGLE = 257.0916 DIHED = 752.6405 + VDWAALS = -1434.9537 EEL = -10953.9264 EGB = -2530.9268 + 1-4 VDW = 477.4412 1-4 EEL = 5272.6155 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 357 -8.0538E+03 2.4250E-01 4.2213E+00 CB 2143 + + BOND = 106.1627 ANGLE = 257.4615 DIHED = 752.6257 + VDWAALS = -1435.2619 EEL = -10953.4701 EGB = -2531.0106 + 1-4 VDW = 477.6838 1-4 EEL = 5272.0080 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 358 -8.0538E+03 2.6666E-01 4.3930E+00 CB 2143 + + BOND = 106.1394 ANGLE = 257.5122 DIHED = 752.6267 + VDWAALS = -1435.2946 EEL = -10953.4211 EGB = -2531.0197 + 1-4 VDW = 477.7104 1-4 EEL = 5271.9427 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 359 -8.0541E+03 2.5477E-01 4.5547E+00 CD 1710 + + BOND = 105.5493 ANGLE = 257.4449 DIHED = 752.5897 + VDWAALS = -1435.6066 EEL = -10952.5835 EGB = -2531.0548 + 1-4 VDW = 477.9544 1-4 EEL = 5271.6099 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 360 -8.0541E+03 2.6336E-01 4.8506E+00 CD 1710 + + BOND = 105.5354 ANGLE = 257.4452 DIHED = 752.5889 + VDWAALS = -1435.6172 EEL = -10952.5547 EGB = -2531.0560 + 1-4 VDW = 477.9629 1-4 EEL = 5271.5985 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 361 -8.0544E+03 2.5851E-01 4.8392E+00 CD 1710 + + BOND = 105.0849 ANGLE = 257.2729 DIHED = 752.5683 + VDWAALS = -1435.7921 EEL = -10952.3039 EGB = -2530.8659 + 1-4 VDW = 478.1157 1-4 EEL = 5271.5391 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 362 -8.0544E+03 2.5463E-01 4.6950E+00 CD 1710 + + BOND = 105.0889 ANGLE = 257.2743 DIHED = 752.5684 + VDWAALS = -1435.7896 EEL = -10952.3076 EGB = -2530.8687 + 1-4 VDW = 478.1134 1-4 EEL = 5271.5400 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 363 -8.0546E+03 2.5879E-01 4.0518E+00 CD 1710 + + BOND = 105.0398 ANGLE = 256.8105 DIHED = 752.5474 + VDWAALS = -1435.8766 EEL = -10952.5709 EGB = -2530.6317 + 1-4 VDW = 478.2291 1-4 EEL = 5271.8221 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 364 -8.0546E+03 2.4123E-01 3.5296E+00 CA 2141 + + BOND = 105.0320 ANGLE = 256.8365 DIHED = 752.5472 + VDWAALS = -1435.8712 EEL = -10952.5536 EGB = -2530.6472 + 1-4 VDW = 478.2213 1-4 EEL = 5271.8036 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 365 -8.0549E+03 2.1549E-01 2.6652E+00 CD2 2535 + + BOND = 105.1470 ANGLE = 256.0474 DIHED = 752.4457 + VDWAALS = -1435.8369 EEL = -10953.0598 EGB = -2530.2968 + 1-4 VDW = 478.4157 1-4 EEL = 5272.2215 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 366 -8.0549E+03 2.7706E-01 4.0654E+00 CG 174 + + BOND = 105.2329 ANGLE = 255.7990 DIHED = 752.4180 + VDWAALS = -1435.8234 EEL = -10953.2325 EGB = -2530.1776 + 1-4 VDW = 478.4833 1-4 EEL = 5272.3643 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 367 -8.0552E+03 2.7203E-01 4.4802E+00 CG 174 + + BOND = 105.0519 ANGLE = 255.0718 DIHED = 752.3110 + VDWAALS = -1435.8147 EEL = -10953.6153 EGB = -2529.9179 + 1-4 VDW = 478.8764 1-4 EEL = 5272.8294 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 368 -8.0552E+03 2.4224E-01 3.5970E+00 CG 174 + + BOND = 105.0512 ANGLE = 255.1377 DIHED = 752.3200 + VDWAALS = -1435.8162 EEL = -10953.5758 EGB = -2529.9446 + 1-4 VDW = 478.8353 1-4 EEL = 5272.7813 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 369 -8.0554E+03 1.9864E-01 2.6452E+00 CG 174 + + BOND = 104.9700 ANGLE = 255.0454 DIHED = 752.2844 + VDWAALS = -1435.9292 EEL = -10953.8982 EGB = -2529.8188 + 1-4 VDW = 479.1282 1-4 EEL = 5272.7701 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 370 -8.0555E+03 2.2227E-01 3.4579E+00 CG 174 + + BOND = 104.9769 ANGLE = 255.0408 DIHED = 752.2815 + VDWAALS = -1435.9435 EEL = -10953.9402 EGB = -2529.8025 + 1-4 VDW = 479.1668 1-4 EEL = 5272.7687 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 371 -8.0556E+03 2.1020E-01 3.7772E+00 CG 174 + + BOND = 105.0713 ANGLE = 255.2040 DIHED = 752.2367 + VDWAALS = -1436.1560 EEL = -10954.1135 EGB = -2529.8722 + 1-4 VDW = 479.4473 1-4 EEL = 5272.5433 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 372 -8.0556E+03 1.9374E-01 3.2356E+00 CG 174 + + BOND = 105.0546 ANGLE = 255.1875 DIHED = 752.2390 + VDWAALS = -1436.1403 EEL = -10954.1005 EGB = -2529.8669 + 1-4 VDW = 479.4261 1-4 EEL = 5272.5601 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 373 -8.0558E+03 1.7117E-01 3.5825E+00 CG 174 + + BOND = 105.0999 ANGLE = 255.3774 DIHED = 752.1545 + VDWAALS = -1436.2193 EEL = -10954.2900 EGB = -2529.8968 + 1-4 VDW = 479.5740 1-4 EEL = 5272.3849 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 374 -8.0558E+03 2.0995E-01 5.3673E+00 CG 174 + + BOND = 105.1374 ANGLE = 255.4374 DIHED = 752.1339 + VDWAALS = -1436.2397 EEL = -10954.3396 EGB = -2529.9049 + 1-4 VDW = 479.6130 1-4 EEL = 5272.3392 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 375 -8.0561E+03 2.8988E-01 6.6490E+00 CG 174 + + BOND = 105.1763 ANGLE = 255.4978 DIHED = 752.0372 + VDWAALS = -1436.2991 EEL = -10954.5373 EGB = -2529.8368 + 1-4 VDW = 479.6347 1-4 EEL = 5272.2621 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 376 -8.0561E+03 2.6171E-01 5.3918E+00 CG 174 + + BOND = 105.1608 ANGLE = 255.4781 DIHED = 752.0384 + VDWAALS = -1436.2994 EEL = -10954.5452 EGB = -2529.8229 + 1-4 VDW = 479.6241 1-4 EEL = 5272.2693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 377 -8.0561E+03 2.3200E-01 4.0319E+00 CG 174 + + BOND = 105.1451 ANGLE = 255.4545 DIHED = 752.0399 + VDWAALS = -1436.2993 EEL = -10954.5543 EGB = -2529.8059 + 1-4 VDW = 479.6107 1-4 EEL = 5272.2788 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 378 -8.0562E+03 2.0271E-01 2.6467E+00 CG 174 + + BOND = 105.1293 ANGLE = 255.4262 DIHED = 752.0414 + VDWAALS = -1436.2985 EEL = -10954.5645 EGB = -2529.7851 + 1-4 VDW = 479.5934 1-4 EEL = 5272.2915 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 379 -8.0562E+03 1.7651E-01 1.8236E+00 CG 2545 + + BOND = 105.1130 ANGLE = 255.3929 DIHED = 752.0429 + VDWAALS = -1436.2964 EEL = -10954.5755 EGB = -2529.7600 + 1-4 VDW = 479.5713 1-4 EEL = 5272.3083 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 380 -8.0556E+03 7.7572E-01 2.1012E+01 CG 174 + + BOND = 105.7473 ANGLE = 254.8802 DIHED = 752.1197 + VDWAALS = -1436.1910 EEL = -10954.8501 EGB = -2529.0623 + 1-4 VDW = 478.9134 1-4 EEL = 5272.8324 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 381 -8.0564E+03 2.1118E-01 5.6451E+00 CG 174 + + BOND = 105.0742 ANGLE = 255.1421 DIHED = 752.0548 + VDWAALS = -1436.2654 EEL = -10954.6618 EGB = -2529.5396 + 1-4 VDW = 479.3623 1-4 EEL = 5272.4727 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 382 -8.0565E+03 2.1981E-01 5.8672E+00 CG 174 + + BOND = 104.9207 ANGLE = 254.9844 DIHED = 752.0329 + VDWAALS = -1436.1760 EEL = -10954.6952 EGB = -2529.3621 + 1-4 VDW = 479.1137 1-4 EEL = 5272.6693 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 383 -8.0565E+03 2.1124E-01 5.4265E+00 CG 174 + + BOND = 104.9225 ANGLE = 254.9889 DIHED = 752.0335 + VDWAALS = -1436.1795 EEL = -10954.6940 EGB = -2529.3689 + 1-4 VDW = 479.1231 1-4 EEL = 5272.6617 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 384 -8.0567E+03 1.7050E-01 2.1070E+00 CA 2141 + + BOND = 104.9155 ANGLE = 254.9678 DIHED = 751.9659 + VDWAALS = -1436.1096 EEL = -10954.8138 EGB = -2529.2483 + 1-4 VDW = 478.8914 1-4 EEL = 5272.7138 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 385 -8.0567E+03 2.3218E-01 4.2859E+00 CG 174 + + BOND = 104.9599 ANGLE = 254.9779 DIHED = 751.9380 + VDWAALS = -1436.0740 EEL = -10954.8727 EGB = -2529.1892 + 1-4 VDW = 478.7784 1-4 EEL = 5272.7395 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 386 -8.0570E+03 2.2725E-01 3.1776E+00 CG 174 + + BOND = 105.0801 ANGLE = 255.3629 DIHED = 751.8806 + VDWAALS = -1436.1354 EEL = -10954.9276 EGB = -2529.2187 + 1-4 VDW = 478.4581 1-4 EEL = 5272.5026 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 387 -8.0570E+03 2.5200E-01 4.0364E+00 CG 174 + + BOND = 105.1104 ANGLE = 255.4148 DIHED = 751.8757 + VDWAALS = -1436.1420 EEL = -10954.9339 EGB = -2529.2221 + 1-4 VDW = 478.4216 1-4 EEL = 5272.4754 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 388 -8.0573E+03 2.1632E-01 3.2998E+00 CA 2141 + + BOND = 105.0512 ANGLE = 256.2194 DIHED = 751.8525 + VDWAALS = -1436.2326 EEL = -10955.0438 EGB = -2529.2809 + 1-4 VDW = 478.1304 1-4 EEL = 5272.0141 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 389 -8.0573E+03 2.4197E-01 3.7266E+00 CA 2141 + + BOND = 105.0635 ANGLE = 256.3320 DIHED = 751.8526 + VDWAALS = -1436.2435 EEL = -10955.0579 EGB = -2529.2887 + 1-4 VDW = 478.0935 1-4 EEL = 5271.9548 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 390 -8.0575E+03 3.1017E-01 5.4950E+00 CG 174 + + BOND = 105.0192 ANGLE = 256.9229 DIHED = 751.7714 + VDWAALS = -1436.2520 EEL = -10955.1203 EGB = -2529.4117 + 1-4 VDW = 477.9195 1-4 EEL = 5271.6640 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 391 -8.0575E+03 2.3401E-01 3.4200E+00 CG 174 + + BOND = 104.9904 ANGLE = 256.7738 DIHED = 751.7846 + VDWAALS = -1436.2511 EEL = -10955.1063 EGB = -2529.3837 + 1-4 VDW = 477.9580 1-4 EEL = 5271.7294 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 392 -8.0578E+03 1.9660E-01 2.8652E+00 CA 2141 + + BOND = 105.3048 ANGLE = 256.8023 DIHED = 751.6635 + VDWAALS = -1436.1321 EEL = -10955.6998 EGB = -2529.2793 + 1-4 VDW = 477.8266 1-4 EEL = 5271.7616 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 393 -8.0578E+03 2.4754E-01 4.1760E+00 CD 1710 + + BOND = 105.4397 ANGLE = 256.8306 DIHED = 751.6304 + VDWAALS = -1436.0936 EEL = -10955.8855 EGB = -2529.2469 + 1-4 VDW = 477.7862 1-4 EEL = 5271.7718 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 394 -8.0580E+03 2.5504E-01 5.1143E+00 CD 1710 + + BOND = 105.9790 ANGLE = 256.8038 DIHED = 751.5124 + VDWAALS = -1435.8649 EEL = -10957.0383 EGB = -2529.0635 + 1-4 VDW = 477.5144 1-4 EEL = 5272.1278 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 395 -8.0580E+03 2.5257E-01 5.0247E+00 CD 1710 + + BOND = 105.9721 ANGLE = 256.8034 DIHED = 751.5134 + VDWAALS = -1435.8672 EEL = -10957.0272 EGB = -2529.0653 + 1-4 VDW = 477.5170 1-4 EEL = 5272.1243 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 396 -8.0583E+03 2.5317E-01 4.7794E+00 CD 1710 + + BOND = 106.3557 ANGLE = 256.5296 DIHED = 751.3921 + VDWAALS = -1435.5994 EEL = -10958.2022 EGB = -2528.6744 + 1-4 VDW = 477.2298 1-4 EEL = 5272.6540 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 397 -8.0583E+03 2.7406E-01 5.6224E+00 CD 1710 + + BOND = 106.4030 ANGLE = 256.5123 DIHED = 751.3833 + VDWAALS = -1435.5760 EEL = -10958.3033 EGB = -2528.6410 + 1-4 VDW = 477.2053 1-4 EEL = 5272.6997 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 398 -8.0586E+03 2.4846E-01 3.5292E+00 CD 1710 + + BOND = 106.5860 ANGLE = 255.9676 DIHED = 751.2280 + VDWAALS = -1435.4503 EEL = -10958.9624 EGB = -2528.2646 + 1-4 VDW = 477.0138 1-4 EEL = 5273.2517 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 399 -8.0586E+03 2.6968E-01 4.3528E+00 CD 1710 + + BOND = 106.6189 ANGLE = 255.9262 DIHED = 751.2155 + VDWAALS = -1435.4386 EEL = -10959.0218 EGB = -2528.2309 + 1-4 VDW = 476.9967 1-4 EEL = 5273.3016 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 400 -8.0591E+03 3.3800E-01 5.7915E+00 CB 2143 + + BOND = 106.7092 ANGLE = 255.7635 DIHED = 751.0522 + VDWAALS = -1435.4467 EEL = -10959.7190 EGB = -2527.8600 + 1-4 VDW = 476.9292 1-4 EEL = 5273.4910 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 401 -8.0591E+03 3.1507E-01 5.3784E+00 CB 2143 + + BOND = 106.6793 ANGLE = 255.7823 DIHED = 751.0530 + VDWAALS = -1435.4551 EEL = -10959.7138 EGB = -2527.8690 + 1-4 VDW = 476.9336 1-4 EEL = 5273.4711 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 402 -8.0592E+03 2.9019E-01 4.8892E+00 CB 2143 + + BOND = 106.6463 ANGLE = 255.8057 DIHED = 751.0537 + VDWAALS = -1435.4656 EEL = -10959.7070 EGB = -2527.8798 + 1-4 VDW = 476.9395 1-4 EEL = 5273.4464 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 403 -8.0592E+03 2.6426E-01 4.3174E+00 CB 2143 + + BOND = 106.6102 ANGLE = 255.8348 DIHED = 751.0545 + VDWAALS = -1435.4789 EEL = -10959.6977 EGB = -2527.8924 + 1-4 VDW = 476.9472 1-4 EEL = 5273.4153 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 404 -8.0593E+03 2.3869E-01 3.6643E+00 CB 2143 + + BOND = 106.5709 ANGLE = 255.8703 DIHED = 751.0549 + VDWAALS = -1435.4958 EEL = -10959.6848 EGB = -2527.9071 + 1-4 VDW = 476.9576 1-4 EEL = 5273.3764 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 405 -8.0593E+03 5.4108E-01 8.8462E+00 CB 2143 + + BOND = 106.4130 ANGLE = 256.8438 DIHED = 751.0948 + VDWAALS = -1435.8636 EEL = -10959.3645 EGB = -2528.1989 + 1-4 VDW = 477.2080 1-4 EEL = 5272.5358 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 406 -8.0595E+03 2.7078E-01 3.1145E+00 CZ 2447 + + BOND = 106.3305 ANGLE = 256.3339 DIHED = 751.0660 + VDWAALS = -1435.6958 EEL = -10959.5116 EGB = -2528.0641 + 1-4 VDW = 477.0913 1-4 EEL = 5272.9224 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 407 -8.0598E+03 2.3323E-01 3.8031E+00 CB 2143 + + BOND = 105.9276 ANGLE = 256.6976 DIHED = 751.0527 + VDWAALS = -1435.9765 EEL = -10959.0835 EGB = -2528.1461 + 1-4 VDW = 477.3376 1-4 EEL = 5272.3817 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 408 -8.0598E+03 2.4125E-01 3.8288E+00 CB 2143 + + BOND = 105.9190 ANGLE = 256.7134 DIHED = 751.0530 + VDWAALS = -1435.9863 EEL = -10959.0684 EGB = -2528.1490 + 1-4 VDW = 477.3464 1-4 EEL = 5272.3626 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 409 -8.0600E+03 2.2353E-01 3.8219E+00 CD 1710 + + BOND = 105.4072 ANGLE = 256.6535 DIHED = 751.0259 + VDWAALS = -1436.2449 EEL = -10958.3752 EGB = -2528.1872 + 1-4 VDW = 477.5660 1-4 EEL = 5272.1053 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 410 -8.0601E+03 2.3794E-01 4.3167E+00 CD 1710 + + BOND = 105.3828 ANGLE = 256.6537 DIHED = 751.0248 + VDWAALS = -1436.2620 EEL = -10958.3289 EGB = -2528.1898 + 1-4 VDW = 477.5809 1-4 EEL = 5272.0881 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 411 -8.0603E+03 2.3320E-01 4.5253E+00 CD 1710 + + BOND = 105.0397 ANGLE = 256.4382 DIHED = 751.0176 + VDWAALS = -1436.4032 EEL = -10958.1839 EGB = -2528.0010 + 1-4 VDW = 477.7204 1-4 EEL = 5272.0889 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 412 -8.0603E+03 2.2949E-01 4.3859E+00 CD 1710 + + BOND = 105.0427 ANGLE = 256.4406 DIHED = 751.0175 + VDWAALS = -1436.4011 EEL = -10958.1862 EGB = -2528.0040 + 1-4 VDW = 477.7181 1-4 EEL = 5272.0889 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 413 -8.0605E+03 2.3881E-01 4.0631E+00 CD 1710 + + BOND = 105.0217 ANGLE = 255.9685 DIHED = 751.0060 + VDWAALS = -1436.4727 EEL = -10958.4217 EGB = -2527.7947 + 1-4 VDW = 477.8291 1-4 EEL = 5272.3800 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 414 -8.0605E+03 2.1944E-01 3.4769E+00 CA 2141 + + BOND = 105.0125 ANGLE = 256.0011 DIHED = 751.0053 + VDWAALS = -1436.4674 EEL = -10958.4033 EGB = -2527.8110 + 1-4 VDW = 477.8202 1-4 EEL = 5272.3573 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 415 -8.0607E+03 1.9154E-01 2.3352E+00 CD2 2535 + + BOND = 105.0925 ANGLE = 255.3094 DIHED = 750.9206 + VDWAALS = -1436.4286 EEL = -10958.8517 EGB = -2527.5086 + 1-4 VDW = 478.0034 1-4 EEL = 5272.7435 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 416 -8.0607E+03 2.4627E-01 3.5442E+00 CG 174 + + BOND = 105.1590 ANGLE = 255.0880 DIHED = 750.8972 + VDWAALS = -1436.4137 EEL = -10959.0065 EGB = -2527.4045 + 1-4 VDW = 478.0677 1-4 EEL = 5272.8769 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 417 -8.0609E+03 2.5693E-01 4.3869E+00 CG 174 + + BOND = 105.0187 ANGLE = 254.4552 DIHED = 750.8097 + VDWAALS = -1436.4283 EEL = -10959.2916 EGB = -2527.2051 + 1-4 VDW = 478.4327 1-4 EEL = 5273.2604 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 418 -8.0610E+03 2.1906E-01 3.2978E+00 CG 174 + + BOND = 105.0166 ANGLE = 254.5320 DIHED = 750.8195 + VDWAALS = -1436.4270 EEL = -10959.2525 EGB = -2527.2324 + 1-4 VDW = 478.3821 1-4 EEL = 5273.2077 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 419 -8.0611E+03 1.8100E-01 2.4047E+00 CG 174 + + BOND = 104.9536 ANGLE = 254.4821 DIHED = 750.7932 + VDWAALS = -1436.5371 EEL = -10959.5319 EGB = -2527.1333 + 1-4 VDW = 478.6458 1-4 EEL = 5273.1810 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 420 -8.0611E+03 2.0071E-01 3.0780E+00 CG 174 + + BOND = 104.9591 ANGLE = 254.4819 DIHED = 750.7914 + VDWAALS = -1436.5498 EEL = -10959.5648 EGB = -2527.1217 + 1-4 VDW = 478.6772 1-4 EEL = 5273.1778 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 421 -8.0613E+03 1.9022E-01 3.2251E+00 CG 174 + + BOND = 104.9997 ANGLE = 254.6948 DIHED = 750.7569 + VDWAALS = -1436.7330 EEL = -10959.6962 EGB = -2527.2137 + 1-4 VDW = 478.9216 1-4 EEL = 5272.9685 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 422 -8.0613E+03 1.7625E-01 2.7812E+00 CG 174 + + BOND = 104.9894 ANGLE = 254.6765 DIHED = 750.7585 + VDWAALS = -1436.7202 EEL = -10959.6869 EGB = -2527.2071 + 1-4 VDW = 478.9043 1-4 EEL = 5272.9832 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 423 -8.0614E+03 1.5221E-01 2.8796E+00 CG 174 + + BOND = 105.0442 ANGLE = 254.8398 DIHED = 750.6859 + VDWAALS = -1436.7876 EEL = -10959.8478 EGB = -2527.2393 + 1-4 VDW = 479.0332 1-4 EEL = 5272.8238 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 424 -8.0615E+03 1.8817E-01 4.4489E+00 CG 174 + + BOND = 105.0820 ANGLE = 254.8939 DIHED = 750.6672 + VDWAALS = -1436.8060 EEL = -10959.8924 EGB = -2527.2484 + 1-4 VDW = 479.0691 1-4 EEL = 5272.7797 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 425 -8.0617E+03 2.5960E-01 6.0731E+00 CG 174 + + BOND = 105.1191 ANGLE = 254.9178 DIHED = 750.5885 + VDWAALS = -1436.8588 EEL = -10960.0466 EGB = -2527.1858 + 1-4 VDW = 479.0742 1-4 EEL = 5272.7200 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 426 -8.0617E+03 2.3032E-01 4.7440E+00 CG 174 + + BOND = 105.1025 ANGLE = 254.9006 DIHED = 750.5900 + VDWAALS = -1436.8584 EEL = -10960.0555 EGB = -2527.1714 + 1-4 VDW = 479.0635 1-4 EEL = 5272.7279 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 427 -8.0617E+03 2.0036E-01 3.3343E+00 CG 174 + + BOND = 105.0857 ANGLE = 254.8797 DIHED = 750.5917 + VDWAALS = -1436.8574 EEL = -10960.0655 EGB = -2527.1538 + 1-4 VDW = 479.0497 1-4 EEL = 5272.7385 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 428 -8.0618E+03 1.7239E-01 1.9578E+00 CG 174 + + BOND = 105.0688 ANGLE = 254.8542 DIHED = 750.5935 + VDWAALS = -1436.8555 EEL = -10960.0764 EGB = -2527.1323 + 1-4 VDW = 479.0319 1-4 EEL = 5272.7526 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 429 -8.0618E+03 1.4940E-01 1.4058E+00 CG 2545 + + BOND = 105.0512 ANGLE = 254.8236 DIHED = 750.5952 + VDWAALS = -1436.8520 EEL = -10960.0876 EGB = -2527.1066 + 1-4 VDW = 479.0089 1-4 EEL = 5272.7713 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 430 -8.0610E+03 7.6933E-01 1.7976E+01 CG 174 + + BOND = 105.6427 ANGLE = 254.3428 DIHED = 750.7005 + VDWAALS = -1436.6853 EEL = -10960.3806 EGB = -2526.3154 + 1-4 VDW = 478.2440 1-4 EEL = 5273.4139 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 431 -8.0619E+03 1.9077E-01 4.5289E+00 CG 174 + + BOND = 104.9848 ANGLE = 254.5846 DIHED = 750.6082 + VDWAALS = -1436.8071 EEL = -10960.1710 EGB = -2526.8800 + 1-4 VDW = 478.7883 1-4 EEL = 5272.9539 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 432 -8.0621E+03 2.2687E-01 6.6587E+00 CG 174 + + BOND = 104.8863 ANGLE = 254.4235 DIHED = 750.5813 + VDWAALS = -1436.7182 EEL = -10960.1924 EGB = -2526.7214 + 1-4 VDW = 478.5484 1-4 EEL = 5273.1289 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 433 -8.0621E+03 2.0080E-01 5.4270E+00 CG 174 + + BOND = 104.8863 ANGLE = 254.4375 DIHED = 750.5834 + VDWAALS = -1436.7281 EEL = -10960.1901 EGB = -2526.7388 + 1-4 VDW = 478.5746 1-4 EEL = 5273.1096 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 434 -8.0622E+03 1.5616E-01 2.0817E+00 CA 2141 + + BOND = 104.9238 ANGLE = 254.4248 DIHED = 750.5270 + VDWAALS = -1436.6772 EEL = -10960.2869 EGB = -2526.6455 + 1-4 VDW = 478.3690 1-4 EEL = 5273.1275 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 435 -8.0623E+03 2.1226E-01 4.0418E+00 CG 174 + + BOND = 104.9844 ANGLE = 254.4359 DIHED = 750.5027 + VDWAALS = -1436.6502 EEL = -10960.3361 EGB = -2526.5984 + 1-4 VDW = 478.2654 1-4 EEL = 5273.1366 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 436 -8.0625E+03 2.0726E-01 2.9569E+00 CG 174 + + BOND = 105.0381 ANGLE = 254.8876 DIHED = 750.4669 + VDWAALS = -1436.7115 EEL = -10960.3563 EGB = -2526.6559 + 1-4 VDW = 477.9752 1-4 EEL = 5272.8807 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 437 -8.0625E+03 2.2940E-01 3.7464E+00 CG 174 + + BOND = 105.0578 ANGLE = 254.9448 DIHED = 750.4642 + VDWAALS = -1436.7180 EEL = -10960.3586 EGB = -2526.6624 + 1-4 VDW = 477.9427 1-4 EEL = 5272.8519 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 438 -8.0627E+03 2.0137E-01 3.3491E+00 CA 2141 + + BOND = 105.0072 ANGLE = 255.6862 DIHED = 750.4457 + VDWAALS = -1436.7988 EEL = -10960.4269 EGB = -2526.7288 + 1-4 VDW = 477.6883 1-4 EEL = 5272.4166 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 439 -8.0627E+03 2.1407E-01 3.5254E+00 CA 2141 + + BOND = 105.0126 ANGLE = 255.7387 DIHED = 750.4458 + VDWAALS = -1436.8038 EEL = -10960.4313 EGB = -2526.7333 + 1-4 VDW = 477.6718 1-4 EEL = 5272.3881 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 440 -8.0629E+03 2.5697E-01 4.4137E+00 CG 174 + + BOND = 105.0376 ANGLE = 256.1490 DIHED = 750.3636 + VDWAALS = -1436.8008 EEL = -10960.5015 EGB = -2526.8329 + 1-4 VDW = 477.5341 1-4 EEL = 5272.1680 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 441 -8.0629E+03 2.1821E-01 3.3217E+00 CG 174 + + BOND = 105.0157 ANGLE = 256.0827 DIHED = 750.3728 + VDWAALS = -1436.8017 EEL = -10960.4915 EGB = -2526.8185 + 1-4 VDW = 477.5535 1-4 EEL = 5272.1993 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 442 -8.0631E+03 1.8664E-01 3.0188E+00 CA 2141 + + BOND = 105.3228 ANGLE = 256.1349 DIHED = 750.2603 + VDWAALS = -1436.6747 EEL = -10961.0787 EGB = -2526.7207 + 1-4 VDW = 477.4106 1-4 EEL = 5272.2443 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 443 -8.0631E+03 2.2654E-01 3.7268E+00 CD 1710 + + BOND = 105.4249 ANGLE = 256.1615 DIHED = 750.2356 + VDWAALS = -1436.6424 EEL = -10961.2242 EGB = -2526.6966 + 1-4 VDW = 477.3757 1-4 EEL = 5272.2556 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 444 -8.0633E+03 2.3698E-01 4.7078E+00 CD 1710 + + BOND = 105.8865 ANGLE = 256.1101 DIHED = 750.1394 + VDWAALS = -1436.4354 EEL = -10962.2114 EGB = -2526.5208 + 1-4 VDW = 477.1077 1-4 EEL = 5272.5931 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 445 -8.0633E+03 2.3366E-01 4.5904E+00 CD 1710 + + BOND = 105.8779 ANGLE = 256.1100 DIHED = 750.1406 + VDWAALS = -1436.4384 EEL = -10962.1976 EGB = -2526.5232 + 1-4 VDW = 477.1114 1-4 EEL = 5272.5883 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 446 -8.0636E+03 2.2675E-01 4.2414E+00 CD 1710 + + BOND = 106.2239 ANGLE = 255.7893 DIHED = 750.0417 + VDWAALS = -1436.2198 EEL = -10963.1470 EGB = -2526.1687 + 1-4 VDW = 476.8516 1-4 EEL = 5273.0515 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 447 -8.0636E+03 2.5237E-01 5.3004E+00 CD 1710 + + BOND = 106.2820 ANGLE = 255.7583 DIHED = 750.0319 + VDWAALS = -1436.1932 EEL = -10963.2609 EGB = -2526.1264 + 1-4 VDW = 476.8207 1-4 EEL = 5273.1072 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 448 -8.0638E+03 2.4694E-01 3.8925E+00 CD 1710 + + BOND = 106.4439 ANGLE = 255.2859 DIHED = 749.9024 + VDWAALS = -1436.1035 EEL = -10963.7832 EGB = -2525.8117 + 1-4 VDW = 476.6563 1-4 EEL = 5273.5670 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 449 -8.0638E+03 2.5758E-01 4.2974E+00 CD 1710 + + BOND = 106.4583 ANGLE = 255.2681 DIHED = 749.8973 + VDWAALS = -1436.0994 EEL = -10963.8062 EGB = -2525.7979 + 1-4 VDW = 476.6491 1-4 EEL = 5273.5873 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 450 -8.0643E+03 3.0013E-01 5.5844E+00 CB 2143 + + BOND = 106.4957 ANGLE = 255.1751 DIHED = 749.7640 + VDWAALS = -1436.1223 EEL = -10964.3869 EGB = -2525.5009 + 1-4 VDW = 476.5959 1-4 EEL = 5273.7115 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 451 -8.0643E+03 2.8067E-01 5.1616E+00 CB 2143 + + BOND = 106.4716 ANGLE = 255.1930 DIHED = 749.7645 + VDWAALS = -1436.1302 EEL = -10964.3834 EGB = -2525.5085 + 1-4 VDW = 476.6004 1-4 EEL = 5273.6929 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 452 -8.0643E+03 2.5963E-01 4.6651E+00 CB 2143 + + BOND = 106.4448 ANGLE = 255.2151 DIHED = 749.7650 + VDWAALS = -1436.1402 EEL = -10964.3783 EGB = -2525.5177 + 1-4 VDW = 476.6064 1-4 EEL = 5273.6697 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 453 -8.0644E+03 2.3773E-01 4.0910E+00 CB 2143 + + BOND = 106.4150 ANGLE = 255.2423 DIHED = 749.7653 + VDWAALS = -1436.1527 EEL = -10964.3711 EGB = -2525.5286 + 1-4 VDW = 476.6144 1-4 EEL = 5273.6408 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 454 -8.0644E+03 2.1608E-01 3.4440E+00 CB 2143 + + BOND = 106.3819 ANGLE = 255.2756 DIHED = 749.7654 + VDWAALS = -1436.1684 EEL = -10964.3605 EGB = -2525.5413 + 1-4 VDW = 476.6250 1-4 EEL = 5273.6051 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 455 -8.0644E+03 5.5063E-01 1.0854E+01 CB 2143 + + BOND = 106.2530 ANGLE = 256.3616 DIHED = 749.8090 + VDWAALS = -1436.5655 EEL = -10964.0383 EGB = -2525.8443 + 1-4 VDW = 476.9202 1-4 EEL = 5272.7089 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 456 -8.0647E+03 2.4577E-01 3.5331E+00 CB 2143 + + BOND = 106.1538 ANGLE = 255.7332 DIHED = 749.7730 + VDWAALS = -1436.3644 EEL = -10964.2025 EGB = -2525.6890 + 1-4 VDW = 476.7675 1-4 EEL = 5273.1664 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 457 -8.0649E+03 2.3339E-01 3.1522E+00 CD2 2535 + + BOND = 105.7352 ANGLE = 256.0815 DIHED = 749.7566 + VDWAALS = -1436.6297 EEL = -10963.7589 EGB = -2525.7831 + 1-4 VDW = 477.0250 1-4 EEL = 5272.6771 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 458 -8.0649E+03 2.2209E-01 3.1588E+00 CB 2143 + + BOND = 105.7480 ANGLE = 256.0616 DIHED = 749.7565 + VDWAALS = -1436.6173 EEL = -10963.7798 EGB = -2525.7787 + 1-4 VDW = 477.0127 1-4 EEL = 5272.7002 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 459 -8.0651E+03 2.0650E-01 3.2875E+00 CA 2141 + + BOND = 105.2932 ANGLE = 255.9970 DIHED = 749.7363 + VDWAALS = -1436.8407 EEL = -10963.1941 EGB = -2525.8126 + 1-4 VDW = 477.2194 1-4 EEL = 5272.5001 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 460 -8.0651E+03 2.1835E-01 3.6204E+00 CD 1710 + + BOND = 105.2737 ANGLE = 255.9964 DIHED = 749.7356 + VDWAALS = -1436.8538 EEL = -10963.1594 EGB = -2525.8146 + 1-4 VDW = 477.2318 1-4 EEL = 5272.4882 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 461 -8.0653E+03 2.1150E-01 4.1101E+00 CD 1710 + + BOND = 105.0210 ANGLE = 255.7475 DIHED = 749.7397 + VDWAALS = -1436.9816 EEL = -10963.0800 EGB = -2525.6389 + 1-4 VDW = 477.3633 1-4 EEL = 5272.5285 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 462 -8.0653E+03 2.0948E-01 4.0366E+00 CD 1710 + + BOND = 105.0223 ANGLE = 255.7493 DIHED = 749.7395 + VDWAALS = -1436.9804 EEL = -10963.0807 EGB = -2525.6405 + 1-4 VDW = 477.3621 1-4 EEL = 5272.5281 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 463 -8.0655E+03 2.2582E-01 4.2712E+00 CD 1710 + + BOND = 105.0109 ANGLE = 255.2812 DIHED = 749.7343 + VDWAALS = -1437.0402 EEL = -10963.3065 EGB = -2525.4491 + 1-4 VDW = 477.4758 1-4 EEL = 5272.8279 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 464 -8.0655E+03 2.0370E-01 3.4921E+00 CD 1710 + + BOND = 105.0009 ANGLE = 255.3209 DIHED = 749.7332 + VDWAALS = -1437.0348 EEL = -10963.2853 EGB = -2525.4669 + 1-4 VDW = 477.4649 1-4 EEL = 5272.7998 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 465 -8.0657E+03 1.7317E-01 1.9121E+00 CD2 2535 + + BOND = 105.0419 ANGLE = 254.7002 DIHED = 749.6616 + VDWAALS = -1436.9983 EEL = -10963.6703 EGB = -2525.2034 + 1-4 VDW = 477.6459 1-4 EEL = 5273.1556 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 466 -8.0657E+03 2.2067E-01 3.5107E+00 CD 1710 + + BOND = 105.0879 ANGLE = 254.5073 DIHED = 749.6426 + VDWAALS = -1436.9848 EEL = -10963.7986 EGB = -2525.1159 + 1-4 VDW = 477.7071 1-4 EEL = 5273.2743 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 467 -8.0659E+03 2.4583E-01 4.1895E+00 CG 174 + + BOND = 104.9801 ANGLE = 253.9595 DIHED = 749.5720 + VDWAALS = -1437.0221 EEL = -10964.0273 EGB = -2524.9584 + 1-4 VDW = 478.0500 1-4 EEL = 5273.5936 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 468 -8.0659E+03 2.0250E-01 3.0263E+00 CG 174 + + BOND = 104.9759 ANGLE = 254.0389 DIHED = 749.5814 + VDWAALS = -1437.0167 EEL = -10963.9899 EGB = -2524.9840 + 1-4 VDW = 477.9935 1-4 EEL = 5273.5414 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 469 -8.0660E+03 1.7432E-01 2.4141E+00 CG 174 + + BOND = 104.9294 ANGLE = 254.0270 DIHED = 749.5607 + VDWAALS = -1437.1271 EEL = -10964.2474 EGB = -2524.9035 + 1-4 VDW = 478.2398 1-4 EEL = 5273.5000 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 470 -8.0660E+03 1.8493E-01 2.7591E+00 CG 174 + + BOND = 104.9326 ANGLE = 254.0289 DIHED = 749.5601 + VDWAALS = -1437.1340 EEL = -10964.2637 EGB = -2524.8984 + 1-4 VDW = 478.2555 1-4 EEL = 5273.4974 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 471 -8.0661E+03 1.7508E-01 2.6313E+00 CG 174 + + BOND = 104.9347 ANGLE = 254.2590 DIHED = 749.5317 + VDWAALS = -1437.2863 EEL = -10964.3699 EGB = -2525.0003 + 1-4 VDW = 478.4677 1-4 EEL = 5273.3141 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 472 -8.0661E+03 1.6374E-01 2.2947E+00 CG 174 + + BOND = 104.9291 ANGLE = 254.2423 DIHED = 749.5329 + VDWAALS = -1437.2769 EEL = -10964.3633 EGB = -2524.9939 + 1-4 VDW = 478.4544 1-4 EEL = 5273.3255 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 473 -8.0663E+03 1.3395E-01 1.9977E+00 CG 174 + + BOND = 104.9936 ANGLE = 254.3720 DIHED = 749.4689 + VDWAALS = -1437.3353 EEL = -10964.4953 EGB = -2525.0309 + 1-4 VDW = 478.5690 1-4 EEL = 5273.1837 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 474 -8.0663E+03 1.6623E-01 3.2465E+00 CG 174 + + BOND = 105.0326 ANGLE = 254.4176 DIHED = 749.4515 + VDWAALS = -1437.3521 EEL = -10964.5338 EGB = -2525.0418 + 1-4 VDW = 478.6026 1-4 EEL = 5273.1426 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 475 -8.0665E+03 2.2279E-01 5.4057E+00 CG 174 + + BOND = 105.0578 ANGLE = 254.4046 DIHED = 749.3889 + VDWAALS = -1437.3982 EEL = -10964.6706 EGB = -2524.9746 + 1-4 VDW = 478.5901 1-4 EEL = 5273.1116 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 476 -8.0665E+03 1.9192E-01 3.8954E+00 CG 174 + + BOND = 105.0404 ANGLE = 254.3891 DIHED = 749.3906 + VDWAALS = -1437.3969 EEL = -10964.6809 EGB = -2524.9587 + 1-4 VDW = 478.5788 1-4 EEL = 5273.1204 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 477 -8.0665E+03 1.6275E-01 2.3724E+00 CG 174 + + BOND = 105.0229 ANGLE = 254.3697 DIHED = 749.3925 + VDWAALS = -1437.3948 EEL = -10964.6924 EGB = -2524.9392 + 1-4 VDW = 478.5639 1-4 EEL = 5273.1323 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 478 -8.0666E+03 1.3904E-01 1.2923E+00 OG 2146 + + BOND = 105.0051 ANGLE = 254.3456 DIHED = 749.3944 + VDWAALS = -1437.3913 EEL = -10964.7042 EGB = -2524.9158 + 1-4 VDW = 478.5445 1-4 EEL = 5273.1485 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 479 -8.0666E+03 1.2240E-01 1.0131E+00 CG 2545 + + BOND = 104.9863 ANGLE = 254.3162 DIHED = 749.3958 + VDWAALS = -1437.3859 EEL = -10964.7153 EGB = -2524.8890 + 1-4 VDW = 478.5199 1-4 EEL = 5273.1696 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 480 -8.0660E+03 6.1370E-01 8.7326E+00 CG 80 + + BOND = 105.2976 ANGLE = 253.8489 DIHED = 749.5180 + VDWAALS = -1437.1435 EEL = -10965.0189 EGB = -2524.0240 + 1-4 VDW = 477.6427 1-4 EEL = 5273.9208 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 481 -8.0668E+03 1.6602E-01 2.2702E+00 CG 174 + + BOND = 104.8851 ANGLE = 254.0544 DIHED = 749.4064 + VDWAALS = -1437.3156 EEL = -10964.8077 EGB = -2524.6238 + 1-4 VDW = 478.2487 1-4 EEL = 5273.3980 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 482 -8.0669E+03 2.4107E-01 6.9401E+00 CG 174 + + BOND = 104.8985 ANGLE = 253.9325 DIHED = 749.3533 + VDWAALS = -1437.2318 EEL = -10964.8435 EGB = -2524.5002 + 1-4 VDW = 477.9931 1-4 EEL = 5273.5149 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 483 -8.0669E+03 2.0689E-01 5.6818E+00 CG 174 + + BOND = 104.8827 ANGLE = 253.9439 DIHED = 749.3593 + VDWAALS = -1437.2435 EEL = -10964.8386 EGB = -2524.5170 + 1-4 VDW = 478.0278 1-4 EEL = 5273.4989 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 484 -8.0670E+03 1.7133E-01 2.8674E+00 CG 174 + + BOND = 104.9717 ANGLE = 254.0572 DIHED = 749.3109 + VDWAALS = -1437.2254 EEL = -10964.9342 EGB = -2524.4634 + 1-4 VDW = 477.8100 1-4 EEL = 5273.4309 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 485 -8.0670E+03 2.0281E-01 4.6699E+00 CG 174 + + BOND = 105.0091 ANGLE = 254.0880 DIHED = 749.3023 + VDWAALS = -1437.2211 EEL = -10964.9543 EGB = -2524.4523 + 1-4 VDW = 477.7644 1-4 EEL = 5273.4166 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 486 -8.0672E+03 1.7269E-01 2.0731E+00 CG 174 + + BOND = 104.9683 ANGLE = 254.6059 DIHED = 749.2878 + VDWAALS = -1437.2807 EEL = -10964.9499 EGB = -2524.5356 + 1-4 VDW = 477.5298 1-4 EEL = 5273.1401 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 487 -8.0672E+03 2.0911E-01 3.7204E+00 CG 174 + + BOND = 104.9815 ANGLE = 254.7431 DIHED = 749.2872 + VDWAALS = -1437.2943 EEL = -10964.9488 EGB = -2524.5561 + 1-4 VDW = 477.4731 1-4 EEL = 5273.0726 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 488 -8.0674E+03 2.0386E-01 3.2558E+00 CG 174 + + BOND = 105.0012 ANGLE = 255.3790 DIHED = 749.2518 + VDWAALS = -1437.3497 EEL = -10965.0265 EGB = -2524.6252 + 1-4 VDW = 477.2632 1-4 EEL = 5272.6830 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 489 -8.0674E+03 1.8916E-01 2.7718E+00 CG 174 + + BOND = 104.9914 ANGLE = 255.3315 DIHED = 749.2530 + VDWAALS = -1437.3462 EEL = -10965.0212 EGB = -2524.6203 + 1-4 VDW = 477.2776 1-4 EEL = 5272.7100 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 490 -8.0676E+03 1.9523E-01 2.8865E+00 CG 174 + + BOND = 105.1027 ANGLE = 255.5232 DIHED = 749.1638 + VDWAALS = -1437.2945 EEL = -10965.2174 EGB = -2524.6624 + 1-4 VDW = 477.1665 1-4 EEL = 5272.6299 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 491 -8.0676E+03 2.1314E-01 3.4277E+00 CG 174 + + BOND = 105.1221 ANGLE = 255.5457 DIHED = 749.1565 + VDWAALS = -1437.2893 EEL = -10965.2361 EGB = -2524.6665 + 1-4 VDW = 477.1560 1-4 EEL = 5272.6223 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 492 -8.0678E+03 1.8486E-01 2.8305E+00 CA 2141 + + BOND = 105.4513 ANGLE = 255.5719 DIHED = 749.0578 + VDWAALS = -1437.1212 EEL = -10965.9361 EGB = -2524.5290 + 1-4 VDW = 476.9773 1-4 EEL = 5272.7503 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 493 -8.0678E+03 2.1042E-01 3.0238E+00 CG 174 + + BOND = 105.5169 ANGLE = 255.5833 DIHED = 749.0442 + VDWAALS = -1437.0952 EEL = -10966.0422 EGB = -2524.5083 + 1-4 VDW = 476.9505 1-4 EEL = 5272.7698 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 494 -8.0680E+03 2.1421E-01 3.7898E+00 CD 1710 + + BOND = 105.8925 ANGLE = 255.4245 DIHED = 748.9744 + VDWAALS = -1436.9154 EEL = -10966.8686 EGB = -2524.3093 + 1-4 VDW = 476.6959 1-4 EEL = 5273.1268 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 495 -8.0680E+03 2.2520E-01 4.1462E+00 CD 1710 + + BOND = 105.9186 ANGLE = 255.4188 DIHED = 748.9714 + VDWAALS = -1436.9057 EEL = -10966.9120 EGB = -2524.2989 + 1-4 VDW = 476.6826 1-4 EEL = 5273.1457 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 496 -8.0682E+03 2.0681E-01 3.7415E+00 CD 1710 + + BOND = 106.1975 ANGLE = 255.0405 DIHED = 748.8862 + VDWAALS = -1436.7442 EEL = -10967.6650 EGB = -2523.9559 + 1-4 VDW = 476.4692 1-4 EEL = 5273.5668 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 497 -8.0682E+03 2.3406E-01 4.8651E+00 CD 1710 + + BOND = 106.2549 ANGLE = 254.9947 DIHED = 748.8763 + VDWAALS = -1436.7208 EEL = -10967.7724 EGB = -2523.9072 + 1-4 VDW = 476.4390 1-4 EEL = 5273.6269 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 498 -8.0685E+03 2.7559E-01 5.0788E+00 CB 2143 + + BOND = 106.3328 ANGLE = 254.6877 DIHED = 748.7622 + VDWAALS = -1436.6941 EEL = -10968.1689 EGB = -2523.6619 + 1-4 VDW = 476.3413 1-4 EEL = 5273.9441 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 499 -8.0685E+03 2.9779E-01 5.6403E+00 CB 2143 + + BOND = 106.3536 ANGLE = 254.6664 DIHED = 748.7533 + VDWAALS = -1436.6917 EEL = -10968.2019 EGB = -2523.6417 + 1-4 VDW = 476.3332 1-4 EEL = 5273.9706 RESTRAINT = 0.0000 + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -8.0689E+03 2.9614E-01 6.4094E+00 CB 2143 + + BOND = 106.3297 ANGLE = 254.6517 DIHED = 748.6363 + VDWAALS = -1436.7332 EEL = -10968.7578 EGB = -2523.3953 + 1-4 VDW = 476.2971 1-4 EEL = 5274.0436 RESTRAINT = 0.0000 + + + Maximum number of minimization cycles reached. + + + FINAL RESULTS + + + + NSTEP ENERGY RMS GMAX NAME NUMBER + 500 -8.0689E+03 2.9614E-01 6.4094E+00 CB 2143 + + BOND = 106.3297 ANGLE = 254.6517 DIHED = 748.6363 + VDWAALS = -1436.7332 EEL = -10968.7578 EGB = -2523.3953 + 1-4 VDW = 476.2971 1-4 EEL = 5274.0436 RESTRAINT = 0.0000 + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Calc gb radii 143.90 (17.31% of Gen B) +| Calc gb diag 309.92 (37.27% of Gen B) +| Calc gb off-diag 377.71 (45.42% of Gen B) +| Gen Born time 831.54 (100.0% of Nonbo) +| Nonbond force 831.54 (99.60% of Force) +| Bond/Angle/Dihedral 3.37 ( 0.40% of Force) +| Force time 834.92 (100.0% of Runmd) +| Runmd Time 834.92 (100.0% of Total) +| Other 0.73 ( 0.09% of Total) +| Total time 835.65 (100.0% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 06:55:52.397 on 06/25/2009 +| Setup done at 06:55:52.466 on 06/25/2009 +| Run done at 07:09:48.052 on 06/25/2009 +| wallclock() was called 9008 times diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor-minimized.crd b/src/data/T4-lysozyme-L99A-implicit/receptor-minimized.crd new file mode 100644 index 000000000..08dd15ead --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/receptor-minimized.crd @@ -0,0 +1,1304 @@ + + 2603 + 59.5613286 35.7742929 24.7549447 59.1525045 34.9035318 24.4434571 + 59.3824793 35.8795969 25.7457850 60.5625533 35.7263949 24.6262875 + 58.9882620 36.9283893 24.0038885 59.4272084 37.8363715 24.4197393 + 59.3613119 36.8904064 22.5083181 60.4362726 36.7353459 22.4091149 + 58.8530839 36.0590671 22.0157932 58.9958398 38.1979379 21.7890534 + 59.3446989 38.1256428 20.7597585 57.9101983 38.2840935 21.7628786 + 59.6529195 39.7366626 22.5024204 61.4325984 39.5046034 22.2311320 + 61.6217925 39.3255467 21.1735201 61.9684166 40.4015733 22.5424797 + 61.7947328 38.6560787 22.8122761 57.4701814 37.0070417 24.2141961 + 56.7640349 36.0362627 23.9403380 56.9692635 38.1300578 24.7468289 + 57.5996191 38.9002241 24.9345299 55.5566148 38.3548958 25.0960876 + 54.9328808 37.8499671 24.3556643 55.2877097 37.7141303 26.4763560 + 54.2233398 37.4899507 26.5533991 55.8161223 36.7650413 26.5703288 + 55.6496034 38.6066676 27.6513772 54.7946634 39.2579162 28.2256698 + 56.9004208 38.7121518 28.0310210 57.0806462 39.2481437 28.8637623 + 57.6692531 38.2527859 27.5382104 55.1802429 39.8561196 25.0662111 + 56.0439158 40.7037923 24.8469654 53.9141695 40.1982248 25.3432907 + 53.2647076 39.4450381 25.5288606 53.3972344 41.5834820 25.3851489 + 53.4816361 41.9575034 24.3643030 51.8901819 41.6101238 25.7453323 + 51.3689920 40.9972123 25.0082832 51.5879254 41.0117858 27.1323893 + 51.9859788 41.6486869 27.9233611 50.5079903 40.9354279 27.2689996 + 52.0118214 40.0121814 27.2297810 51.2716651 43.0262388 25.6937458 + 50.2095920 42.9434321 25.9261762 51.7271807 43.6585224 26.4566605 + 51.3972946 43.7250127 24.3340550 50.9671111 43.0947771 23.5612648 + 50.8609229 44.6731421 24.3600654 52.4402083 43.9266139 24.0947658 + 54.2261905 42.5466997 26.2583328 54.5189952 43.6594586 25.8227054 + 54.6182252 42.1487129 27.4729702 54.3657863 41.2139950 27.7735899 + 55.4401135 42.9802300 28.3627727 54.9289938 43.9345596 28.4992324 + 55.5644659 42.3330669 29.7516419 55.9176996 41.3068301 29.6520012 + 56.3193157 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20.3643980 + 62.0423008 35.1618193 19.6615841 62.5699138 34.5141937 20.3634865 + 61.1087579 35.4669391 20.1365227 61.7071066 34.3633110 18.3914434 + 60.9004981 33.6637370 18.6317830 61.3321623 35.0461530 17.6229879 + 62.8783004 33.6002621 17.8782464 63.2203313 32.9458653 18.5701952 + 62.6291401 33.0645757 17.0565581 63.6419651 34.2117028 17.6222121 + 64.0808924 38.7065361 17.5921908 63.8579672 38.4747076 16.3808016 + 65.2402158 38.8534606 18.0449212 diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor-testenergy.sander.out b/src/data/T4-lysozyme-L99A-implicit/receptor-testenergy.sander.out new file mode 100644 index 000000000..cb3c1a66c --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/receptor-testenergy.sander.out @@ -0,0 +1,154 @@ + + ------------------------------------------------------- + Amber 9 SANDER 2006 + ------------------------------------------------------- + +| Run on 06/25/2009 at 07:23:53 + [-O]verwriting output + +File Assignments: +| MDIN: testenergy.sander.in +| MDOUT: receptor-testenergy.sander.out +|INPCRD: receptor-minimized.crd +| PARM: receptor.prmtop +|RESTRT: receptor-testenergy.crd +| REFC: refc +| MDVEL: mdvel +| MDEN: mden +| MDCRD: mdcrd +|MDINFO: mdinfo +|INPDIP: inpdip +|RSTDIP: rstdip + + + Here is the input file: + +Single-point energy evaluation + &cntrl + nstlim = 0, dt=0.002, + ntb=0, + igb=2, cut=999.0, rgbmax=999.0, + ntt=3, tempi=300.0, temp0=300., gamma_ln=95., + ntc=2, ntf=2, tol=0.00000001, + &end + + + +-------------------------------------------------------------------------------- + 1. RESOURCE USE: +-------------------------------------------------------------------------------- + +| Flags: +| New format PARM file being parsed. +| Version = 1.000 Date = 06/25/09 Time = 06:55:51 + NATOM = 2603 NTYPES = 14 NBONH = 1313 MBONA = 1310 + NTHETH = 2969 MTHETA = 1765 NPHIH = 5312 MPHIA = 3079 + NHPARM = 0 NPARM = 0 NNB = 14304 NRES = 162 + NBONA = 1310 NTHETA = 1765 NPHIA = 3079 NUMBND = 39 + NUMANG = 86 NPTRA = 29 NATYP = 26 NPHB = 0 + IFBOX = 0 NMXRS = 24 IFCAP = 0 NEXTRA = 0 + NCOPY = 0 + + Implicit solvent radii are H(N)-modified Bondi radii (mbondi2) + +| Memory Use Allocated +| Real 135717 +| Hollerith 15782 +| Integer 146565 +| Max Pairs 1 +| nblistReal 0 +| nblist Int 0 +| Total 1694 kbytes +| Duplicated 0 dihedrals +| Duplicated 0 dihedrals + +-------------------------------------------------------------------------------- + 2. CONTROL DATA FOR THE RUN +-------------------------------------------------------------------------------- + + + +General flags: + imin = 0, nmropt = 0 + +Nature and format of input: + ntx = 1, irest = 0, ntrx = 1 + +Nature and format of output: + ntxo = 1, ntpr = 50, ntrx = 1, ntwr = 500 + iwrap = 0, ntwx = 0, ntwv = 0, ntwe = 0 + ioutfm = 0, ntwprt = 0, idecomp = 0, rbornstat= 0 + +Potential function: + ntf = 2, ntb = 0, igb = 2, nsnb = 25 + ipol = 0, gbsa = 0, iesp = 0 + dielc = 1.00000, cut = 999.00000, intdiel = 1.00000 + saltcon = 0.00000, offset = 0.09000, gbalpha= 0.80000 + gbbeta = 0.00000, gbgamma = 2.90912, surften = 0.00500 + rdt = 0.00000, rgbmax = 999.00000 + alpb = 0 + scnb = 2.00000, scee = 1.20000 + +Frozen or restrained atoms: + ibelly = 0, ntr = 0 + +Molecular dynamics: + nstlim = 0, nscm = 1000, nrespa = 1 + t = 0.00000, dt = 0.00200, vlimit = 20.00000 + +Langevin dynamics temperature regulation: + ig = 71277 + temp0 = 300.00000, tempi = 300.00000, gamma_ln= 95.00000 + +SHAKE: + ntc = 2, jfastw = 0 + tol = 0.00000 +| INFO: Old style inpcrd file read + + +-------------------------------------------------------------------------------- + 3. ATOMIC COORDINATES AND VELOCITIES +-------------------------------------------------------------------------------- + + + begin time read from input coords = 0.000 ps + + Number of triangulated 3-point waters found: 0 + +-------------------------------------------------------------------------------- + 4. RESULTS +-------------------------------------------------------------------------------- + + + NSTEP = 0 TIME(PS) = 0.000 TEMP(K) = 363.22 PRESS = 0.0 + Etot = -5730.3067 EKtot = 2344.3718 EPtot = -8074.6784 + BOND = 100.5792 ANGLE = 254.6516 DIHED = 748.6363 + 1-4 NB = 476.2971 1-4 EEL = 5274.0436 VDWAALS = -1436.7332 + EELEC = -10968.7577 EGB = -2523.3953 RESTRAINT = 0.0000 + ------------------------------------------------------------------------------ + + +-------------------------------------------------------------------------------- + 5. TIMINGS +-------------------------------------------------------------------------------- + +| Read coords time 0.01 ( 0.52% of Total) +| Fast Water setup 0.00 ( 0.01% of Total) +| Calc gb radii 0.28 (17.08% of Gen B) +| Calc gb diag 0.59 (36.76% of Gen B) +| Calc gb off-diag 0.75 (46.16% of Gen B) +| Gen Born time 1.62 (100.0% of Nonbo) +| Nonbond force 1.62 (99.57% of Force) +| Bond/Angle/Dihedral 0.01 ( 0.43% of Force) +| Force time 1.62 (100.0% of Runmd) +| Other 0.00 ( 0.06% of Runmd) +| Runmd Time 1.62 (96.24% of Total) +| Other 0.05 ( 3.23% of Total) +| Total time 1.69 (100.0% of ALL ) + +| Highest rstack allocated: 0 +| Highest istack allocated: 0 +| Job began at 07:23:53.889 on 06/25/2009 +| Setup done at 07:23:53.953 on 06/25/2009 +| Run done at 07:23:55.576 on 06/25/2009 +| wallclock() was called 28 times diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor.crd b/src/data/T4-lysozyme-L99A-implicit/receptor.crd new file mode 100644 index 000000000..8bb419b09 --- /dev/null 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61.3400000 44.0500000 16.2600000 60.3600000 42.1200000 16.9500000 + 59.7298820 41.3732526 16.6942287 60.7300000 42.2700000 18.3800000 + 61.1795834 43.2472703 18.5558317 59.4900000 42.1500000 19.2300000 + 59.0910678 41.2019392 18.8692602 59.6895363 42.0763945 20.2990498 + 58.4800000 43.2500000 18.9800000 57.6200000 43.0900000 17.8400000 + 57.6627169 42.1674395 17.2610726 56.7300000 44.1100000 17.4700000 + 55.9989752 43.9929434 16.6699986 56.7400000 45.3300000 18.2800000 + 55.8800000 46.3800000 17.9800000 55.3204382 46.2013088 17.2206848 + 57.7000000 45.4900000 19.3200000 57.7826110 46.4610280 19.8082423 + 58.5300000 44.4300000 19.7200000 59.1846503 44.5464236 20.5837005 + 61.8700000 41.3400000 18.7700000 62.5600000 41.6200000 19.7600000 + 62.0700000 40.2000000 18.0300000 61.4772793 40.0744780 17.2219000 + 62.9700000 39.0900000 18.4200000 63.3959406 39.2627326 19.4083508 + 62.1600000 37.8200000 18.4600000 61.2756971 37.9789568 19.0771227 + 61.8534195 37.5591469 17.4470518 63.0100000 36.6600000 19.0600000 + 63.7315654 36.3741095 18.2946825 63.5375351 37.0726031 19.9199811 + 62.2200000 35.4400000 19.4900000 62.8520680 34.8791549 20.1785069 + 61.3392110 35.8028428 20.0197691 61.7800000 34.5200000 18.3300000 + 60.7971051 34.0933679 18.5300082 61.7512696 35.0729985 17.3911356 + 62.7900000 33.4200000 18.2300000 62.8164714 32.9071858 19.0997244 + 62.5342878 32.7954695 17.4785528 63.7007700 33.8150852 18.0442455 + 64.2100000 39.0000000 17.5700000 64.1200000 39.1200000 16.3600000 + 65.3100000 38.8900000 18.1400000 diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor.pdb b/src/data/T4-lysozyme-L99A-implicit/receptor.pdb new file mode 100644 index 000000000..1757b851e --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/receptor.pdb @@ -0,0 +1,2606 @@ +REMARK +ATOM 1 N MET 1 59.470 35.630 24.910 +ATOM 2 H1 MET 1 58.699 35.066 25.237 +ATOM 3 H2 MET 1 59.893 36.091 25.703 +ATOM 4 H3 MET 1 60.038 35.074 24.287 +ATOM 5 CA MET 1 58.900 36.760 24.040 +ATOM 6 HA MET 1 59.167 37.709 24.505 +ATOM 7 CB MET 1 59.430 36.760 22.550 +ATOM 8 2HB MET 1 60.495 36.531 22.568 +ATOM 9 3HB MET 1 58.901 35.981 22.001 +ATOM 10 CG MET 1 59.220 38.050 21.890 +ATOM 11 2HG MET 1 59.642 37.933 20.892 +ATOM 12 3HG MET 1 58.138 38.161 21.816 +ATOM 13 SD MET 1 59.900 39.490 22.640 +ATOM 14 CE MET 1 61.720 39.330 22.270 +ATOM 15 1HE MET 1 61.871 39.307 21.191 +ATOM 16 2HE MET 1 62.254 40.181 22.693 +ATOM 17 3HE MET 1 62.101 38.408 22.709 +ATOM 18 C MET 1 57.360 36.850 24.180 +ATOM 19 O MET 1 56.820 35.760 24.040 +ATOM 20 N ASN 2 56.880 38.010 24.600 +ATOM 21 H ASN 2 57.535 38.777 24.644 +ATOM 22 CA ASN 2 55.550 38.210 25.140 +ATOM 23 HA ASN 2 54.816 37.798 24.448 +ATOM 24 CB ASN 2 55.380 37.510 26.520 +ATOM 25 2HB ASN 2 54.297 37.386 26.501 +ATOM 26 3HB ASN 2 55.853 36.544 26.696 +ATOM 27 CG ASN 2 55.740 38.440 27.660 +ATOM 28 OD1 ASN 2 54.860 39.090 28.240 +ATOM 29 ND2 ASN 2 57.010 38.750 27.850 +ATOM 30 1HD2 ASN 2 57.268 39.369 28.605 +ATOM 31 2HD2 ASN 2 57.717 38.367 27.239 +ATOM 32 C ASN 2 55.170 39.740 25.160 +ATOM 33 O ASN 2 56.060 40.560 24.890 +ATOM 34 N ILE 3 53.940 40.230 25.550 +ATOM 35 H ILE 3 53.233 39.524 25.699 +ATOM 36 CA ILE 3 53.540 41.620 25.590 +ATOM 37 HA ILE 3 53.712 42.044 24.601 +ATOM 38 CB ILE 3 52.010 41.710 25.940 +ATOM 39 HB ILE 3 51.493 41.017 25.276 +ATOM 40 CG2 ILE 3 51.660 41.370 27.420 +ATOM 41 1HG2 ILE 3 52.176 42.063 28.084 +ATOM 42 2HG2 ILE 3 50.584 41.458 27.569 +ATOM 43 3HG2 ILE 3 51.975 40.351 27.643 +ATOM 44 CG1 ILE 3 51.430 43.140 25.760 +ATOM 45 2HG1 ILE 3 50.422 43.149 26.176 +ATOM 46 3HG1 ILE 3 52.060 43.831 26.321 +ATOM 47 CD1 ILE 3 51.380 43.570 24.300 +ATOM 48 1HD1 ILE 3 50.750 42.880 23.739 +ATOM 49 2HD1 ILE 3 50.967 44.576 24.231 +ATOM 50 3HD1 ILE 3 52.387 43.562 23.884 +ATOM 51 C ILE 3 54.380 42.540 26.440 +ATOM 52 O ILE 3 54.530 43.710 26.150 +ATOM 53 N PHE 4 54.810 42.100 27.630 +ATOM 54 H PHE 4 54.598 41.164 27.945 +ATOM 55 CA PHE 4 55.490 42.980 28.530 +ATOM 56 HA PHE 4 54.962 43.930 28.609 +ATOM 57 CB PHE 4 55.540 42.330 29.920 +ATOM 58 2HB PHE 4 55.877 41.297 29.834 +ATOM 59 3HB PHE 4 56.250 42.894 30.525 +ATOM 60 CG PHE 4 54.280 42.300 30.670 +ATOM 61 CD1 PHE 4 53.970 43.400 31.430 +ATOM 62 HD1 PHE 4 54.725 44.178 31.539 +ATOM 63 CE1 PHE 4 52.720 43.540 32.060 +ATOM 64 HE1 PHE 4 52.545 44.431 32.663 +ATOM 65 CZ PHE 4 51.720 42.580 31.930 +ATOM 66 HZ PHE 4 50.700 42.676 32.301 +ATOM 67 CE2 PHE 4 52.120 41.400 31.250 +ATOM 68 HE2 PHE 4 51.398 40.584 31.217 +ATOM 69 CD2 PHE 4 53.390 41.250 30.630 +ATOM 70 HD2 PHE 4 53.647 40.315 30.133 +ATOM 71 C PHE 4 57.000 43.400 27.980 +ATOM 72 O PHE 4 57.520 44.490 28.200 +ATOM 73 N GLU 5 57.580 42.510 27.150 +ATOM 74 H GLU 5 57.127 41.609 27.200 +ATOM 75 CA GLU 5 58.810 42.650 26.270 +ATOM 76 HA GLU 5 59.619 43.140 26.812 +ATOM 77 CB GLU 5 59.260 41.300 25.870 +ATOM 78 2HB GLU 5 58.426 40.724 25.468 +ATOM 79 3HB GLU 5 60.048 41.368 25.120 +ATOM 80 CG GLU 5 59.800 40.610 27.110 +ATOM 81 2HG GLU 5 60.547 41.293 27.514 +ATOM 82 3HG GLU 5 59.050 40.400 27.873 +ATOM 83 CD GLU 5 60.490 39.280 26.680 +ATOM 84 OE1 GLU 5 59.910 38.200 26.980 +ATOM 85 OE2 GLU 5 61.620 39.310 26.160 +ATOM 86 C GLU 5 58.560 43.550 25.070 +ATOM 87 O GLU 5 59.200 44.610 24.890 +ATOM 88 N MET 6 57.630 43.140 24.210 +ATOM 89 H MET 6 57.428 42.151 24.239 +ATOM 90 CA MET 6 56.990 43.950 23.170 +ATOM 91 HA MET 6 57.665 44.010 22.316 +ATOM 92 CB MET 6 55.660 43.380 22.700 +ATOM 93 2HB MET 6 55.761 42.295 22.678 +ATOM 94 3HB MET 6 54.908 43.659 23.438 +ATOM 95 CG MET 6 55.230 43.880 21.320 +ATOM 96 2HG MET 6 55.253 44.969 21.356 +ATOM 97 3HG MET 6 55.974 43.525 20.607 +ATOM 98 SD MET 6 53.600 43.340 20.790 +ATOM 99 CE MET 6 53.740 43.690 18.980 +ATOM 100 1HE MET 6 54.562 43.110 18.560 +ATOM 101 2HE MET 6 52.810 43.414 18.483 +ATOM 102 3HE MET 6 53.931 44.752 18.829 +ATOM 103 C MET 6 56.820 45.460 23.570 +ATOM 104 O MET 6 57.300 46.260 22.770 +ATOM 105 N LEU 7 56.130 45.700 24.700 +ATOM 106 H LEU 7 55.679 44.951 25.205 +ATOM 107 CA LEU 7 55.900 47.060 25.140 +ATOM 108 HA LEU 7 55.673 47.697 24.285 +ATOM 109 CB LEU 7 54.700 47.100 26.120 +ATOM 110 2HB LEU 7 54.825 46.329 26.881 +ATOM 111 3HB LEU 7 54.718 48.082 26.592 +ATOM 112 CG LEU 7 53.420 46.910 25.440 +ATOM 113 HG LEU 7 53.444 46.045 24.778 +ATOM 114 CD1 LEU 7 52.440 46.680 26.510 +ATOM 115 1HD1 LEU 7 52.415 47.545 27.173 +ATOM 116 2HD1 LEU 7 51.453 46.529 26.073 +ATOM 117 3HD1 LEU 7 52.724 45.795 27.080 +ATOM 118 CD2 LEU 7 52.960 48.090 24.650 +ATOM 119 1HD2 LEU 7 53.697 48.323 23.881 +ATOM 120 2HD2 LEU 7 52.004 47.862 24.179 +ATOM 121 3HD2 LEU 7 52.843 48.948 25.312 +ATOM 122 C LEU 7 57.140 47.690 25.710 +ATOM 123 O LEU 7 57.400 48.870 25.480 +ATOM 124 N ARG 8 58.010 46.960 26.450 +ATOM 125 H ARG 8 57.695 46.020 26.642 +ATOM 126 CA ARG 8 59.290 47.410 27.050 +ATOM 127 HA ARG 8 59.111 48.270 27.695 +ATOM 128 CB ARG 8 59.920 46.290 27.890 +ATOM 129 2HB ARG 8 59.198 46.049 28.670 +ATOM 130 3HB ARG 8 60.033 45.435 27.224 +ATOM 131 CG ARG 8 61.270 46.620 28.530 +ATOM 132 2HG ARG 8 61.553 45.748 29.119 +ATOM 133 3HG ARG 8 61.976 46.749 27.710 +ATOM 134 CD ARG 8 61.290 47.850 29.410 +ATOM 135 2HD ARG 8 60.785 48.682 28.919 +ATOM 136 3HD ARG 8 60.808 47.646 30.366 +ATOM 137 NE ARG 8 62.690 48.230 29.660 +ATOM 138 HE ARG 8 63.014 47.814 30.521 +ATOM 139 CZ ARG 8 63.550 48.920 28.930 +ATOM 140 NH1 ARG 8 63.220 49.450 27.770 +ATOM 141 1HH1 ARG 8 62.282 49.334 27.414 +ATOM 142 2HH1 ARG 8 63.906 49.970 27.242 +ATOM 143 NH2 ARG 8 64.710 49.160 29.400 +ATOM 144 1HH2 ARG 8 64.959 48.823 30.319 +ATOM 145 2HH2 ARG 8 65.375 49.686 28.851 +ATOM 146 C ARG 8 60.260 47.910 25.910 +ATOM 147 O ARG 8 61.030 48.800 25.990 +ATOM 148 N ILE 9 60.220 47.120 24.810 +ATOM 149 H ILE 9 59.718 46.243 24.819 +ATOM 150 CA ILE 9 60.970 47.480 23.600 +ATOM 151 HA ILE 9 61.996 47.814 23.752 +ATOM 152 CB ILE 9 60.970 46.150 22.730 +ATOM 153 HB ILE 9 59.963 45.733 22.723 +ATOM 154 CG2 ILE 9 61.420 46.450 21.260 +ATOM 155 1HG2 ILE 9 62.427 46.867 21.266 +ATOM 156 2HG2 ILE 9 61.413 45.526 20.682 +ATOM 157 3HG2 ILE 9 60.733 47.166 20.808 +ATOM 158 CG1 ILE 9 61.850 45.060 23.400 +ATOM 159 2HG1 ILE 9 62.909 45.302 23.315 +ATOM 160 3HG1 ILE 9 61.590 44.935 24.451 +ATOM 161 CD1 ILE 9 61.560 43.750 22.640 +ATOM 162 1HD1 ILE 9 61.821 43.874 21.589 +ATOM 163 2HD1 ILE 9 62.153 42.942 23.068 +ATOM 164 3HD1 ILE 9 60.501 43.507 22.725 +ATOM 165 C ILE 9 60.330 48.700 22.900 +ATOM 166 O ILE 9 61.090 49.550 22.490 +ATOM 167 N ASP 10 59.010 48.850 22.730 +ATOM 168 H ASP 10 58.425 48.113 23.097 +ATOM 169 CA ASP 10 58.390 49.900 21.990 +ATOM 170 HA ASP 10 58.958 50.069 21.075 +ATOM 171 CB ASP 10 56.930 49.570 21.610 +ATOM 172 2HB ASP 10 56.585 48.910 22.406 +ATOM 173 3HB ASP 10 56.323 50.476 21.601 +ATOM 174 CG ASP 10 56.800 48.860 20.270 +ATOM 175 OD1 ASP 10 57.640 49.170 19.350 +ATOM 176 OD2 ASP 10 55.850 48.090 20.140 +ATOM 177 C ASP 10 58.440 51.260 22.680 +ATOM 178 O ASP 10 58.630 52.330 22.090 +ATOM 179 N GLU 11 58.290 51.240 24.000 +ATOM 180 H GLU 11 58.286 50.349 24.476 +ATOM 181 CA GLU 11 58.170 52.480 24.820 +ATOM 182 HA GLU 11 57.732 53.274 24.214 +ATOM 183 CB GLU 11 57.270 52.250 26.060 +ATOM 184 2HB GLU 11 57.783 51.494 26.654 +ATOM 185 3HB GLU 11 57.272 53.197 26.599 +ATOM 186 CG GLU 11 55.830 51.810 25.810 +ATOM 187 2HG GLU 11 55.995 50.989 25.112 +ATOM 188 3HG GLU 11 55.384 51.423 26.726 +ATOM 189 CD GLU 11 54.890 52.830 25.180 +ATOM 190 OE1 GLU 11 55.130 54.060 25.290 +ATOM 191 OE2 GLU 11 53.840 52.430 24.680 +ATOM 192 C GLU 11 59.600 52.840 25.320 +ATOM 193 O GLU 11 60.150 53.870 24.910 +ATOM 194 N GLY 12 60.370 51.940 25.920 +ATOM 195 H GLY 12 60.032 50.988 25.924 +ATOM 196 CA GLY 12 61.680 52.230 26.580 +ATOM 197 2HA GLY 12 62.418 51.517 26.212 +ATOM 198 3HA GLY 12 61.986 53.241 26.310 +ATOM 199 C GLY 12 61.600 52.120 28.150 +ATOM 200 O GLY 12 60.700 51.550 28.710 +ATOM 201 N LEU 13 62.600 52.760 28.870 +ATOM 202 H LEU 13 63.347 53.185 28.339 +ATOM 203 CA LEU 13 62.620 52.890 30.280 +ATOM 204 HA LEU 13 61.600 52.845 30.661 +ATOM 205 CB LEU 13 63.430 51.780 30.930 +ATOM 206 2HB LEU 13 62.918 50.834 30.754 +ATOM 207 3HB LEU 13 64.367 51.795 30.373 +ATOM 208 CG LEU 13 63.720 51.930 32.410 +ATOM 209 HG LEU 13 64.328 52.831 32.487 +ATOM 210 CD1 LEU 13 62.530 52.030 33.380 +ATOM 211 1HD1 LEU 13 61.922 51.129 33.304 +ATOM 212 2HD1 LEU 13 62.900 52.133 34.400 +ATOM 213 3HD1 LEU 13 61.924 52.899 33.124 +ATOM 214 CD2 LEU 13 64.440 50.690 32.880 +ATOM 215 1HD2 LEU 13 65.372 50.579 32.326 +ATOM 216 2HD2 LEU 13 64.658 50.777 33.944 +ATOM 217 3HD2 LEU 13 63.810 49.817 32.709 +ATOM 218 C LEU 13 63.300 54.220 30.610 +ATOM 219 O LEU 13 64.410 54.440 30.100 +ATOM 220 N ARG 14 62.640 55.140 31.290 +ATOM 221 H ARG 14 61.695 54.891 31.545 +ATOM 222 CA ARG 14 63.120 56.440 31.650 +ATOM 223 HA ARG 14 64.205 56.412 31.747 +ATOM 224 CB ARG 14 62.750 57.480 30.590 +ATOM 225 2HB ARG 14 61.666 57.585 30.548 +ATOM 226 3HB ARG 14 63.198 58.439 30.851 +ATOM 227 CG ARG 14 63.270 57.030 29.230 +ATOM 228 2HG ARG 14 64.338 56.835 29.325 +ATOM 229 3HG ARG 14 62.756 56.107 28.961 +ATOM 230 CD ARG 14 63.040 58.070 28.150 +ATOM 231 2HD ARG 14 63.592 57.765 27.261 +ATOM 232 3HD ARG 14 61.974 58.096 27.924 +ATOM 233 NE ARG 14 63.470 59.410 28.530 +ATOM 234 HE ARG 14 63.631 59.569 29.514 +ATOM 235 CZ ARG 14 63.430 60.430 27.740 +ATOM 236 NH1 ARG 14 63.260 60.290 26.460 +ATOM 237 1HH1 ARG 14 63.156 59.366 26.066 +ATOM 238 2HH1 ARG 14 63.233 61.106 25.865 +ATOM 239 NH2 ARG 14 63.790 61.560 28.160 +ATOM 240 1HH2 ARG 14 64.108 61.663 29.113 +ATOM 241 2HH2 ARG 14 63.759 62.358 27.542 +ATOM 242 C ARG 14 62.540 56.780 32.960 +ATOM 243 O ARG 14 61.330 56.670 33.140 +ATOM 244 N LEU 15 63.420 56.830 33.960 +ATOM 245 H LEU 15 64.360 56.592 33.678 +ATOM 246 CA LEU 15 63.160 57.040 35.360 +ATOM 247 HA LEU 15 62.359 56.377 35.687 +ATOM 248 CB LEU 15 64.400 56.750 36.190 +ATOM 249 2HB LEU 15 65.233 57.309 35.764 +ATOM 250 3HB LEU 15 64.230 57.078 37.216 +ATOM 251 CG LEU 15 64.740 55.210 36.180 +ATOM 252 HG LEU 15 64.978 54.934 35.153 +ATOM 253 CD1 LEU 15 65.910 54.840 37.090 +ATOM 254 1HD1 LEU 15 65.673 55.115 38.118 +ATOM 255 2HD1 LEU 15 66.089 53.766 37.034 +ATOM 256 3HD1 LEU 15 66.804 55.374 36.768 +ATOM 257 CD2 LEU 15 63.530 54.330 36.640 +ATOM 258 1HD2 LEU 15 62.686 54.493 35.970 +ATOM 259 2HD2 LEU 15 63.815 53.278 36.616 +ATOM 260 3HD2 LEU 15 63.245 54.605 37.655 +ATOM 261 C LEU 15 62.560 58.450 35.630 +ATOM 262 O LEU 15 61.740 58.610 36.540 +ATOM 263 N LYS 16 63.020 59.560 35.000 +ATOM 264 H LYS 16 63.863 59.430 34.459 +ATOM 265 CA LYS 16 62.410 60.900 35.030 +ATOM 266 HA LYS 16 62.077 61.206 36.022 +ATOM 267 CB LYS 16 63.580 61.810 34.600 +ATOM 268 2HB LYS 16 64.371 61.579 35.314 +ATOM 269 3HB LYS 16 63.859 61.435 33.615 +ATOM 270 CG LYS 16 63.380 63.340 34.530 +ATOM 271 2HG LYS 16 62.887 63.568 33.585 +ATOM 272 3HG LYS 16 62.731 63.629 35.357 +ATOM 273 CD LYS 16 64.700 64.120 34.620 +ATOM 274 2HD LYS 16 65.354 63.783 33.816 +ATOM 275 3HD LYS 16 64.483 65.180 34.491 +ATOM 276 CE LYS 16 65.400 63.900 35.980 +ATOM 277 2HE LYS 16 64.743 64.313 36.746 +ATOM 278 3HE LYS 16 65.489 62.823 36.121 +ATOM 279 NZ LYS 16 66.750 64.530 36.090 +ATOM 280 1HZ LYS 16 66.667 65.528 35.960 +ATOM 281 2HZ LYS 16 67.137 64.340 37.004 +ATOM 282 3HZ LYS 16 67.359 64.147 35.381 +ATOM 283 C LYS 16 61.250 61.050 34.100 +ATOM 284 O LYS 16 61.250 60.360 33.070 +ATOM 285 N ILE 17 60.330 61.990 34.390 +ATOM 286 H ILE 17 60.392 62.350 35.332 +ATOM 287 CA ILE 17 59.220 62.500 33.500 +ATOM 288 HA ILE 17 58.516 61.685 33.335 +ATOM 289 CB ILE 17 58.480 63.700 34.110 +ATOM 290 HB ILE 17 59.162 64.538 34.253 +ATOM 291 CG2 ILE 17 57.380 64.100 33.130 +ATOM 292 1HG2 ILE 17 56.698 63.262 32.987 +ATOM 293 2HG2 ILE 17 56.830 64.952 33.529 +ATOM 294 3HG2 ILE 17 57.826 64.372 32.173 +ATOM 295 CG1 ILE 17 57.880 63.310 35.460 +ATOM 296 2HG1 ILE 17 57.098 62.597 35.200 +ATOM 297 3HG1 ILE 17 58.693 62.788 35.964 +ATOM 298 CD1 ILE 17 57.300 64.390 36.400 +ATOM 299 1HD1 ILE 17 56.486 64.912 35.896 +ATOM 300 2HD1 ILE 17 56.922 63.918 37.307 +ATOM 301 3HD1 ILE 17 58.082 65.103 36.661 +ATOM 302 C ILE 17 59.750 62.890 32.120 +ATOM 303 O ILE 17 60.590 63.760 31.930 +ATOM 304 N TYR 18 59.310 62.130 31.140 +ATOM 305 H TYR 18 58.907 61.230 31.357 +ATOM 306 CA TYR 18 59.450 62.520 29.690 +ATOM 307 HA TYR 18 59.986 63.462 29.576 +ATOM 308 CB TYR 18 60.270 61.400 29.010 +ATOM 309 2HB TYR 18 60.467 61.862 28.042 +ATOM 310 3HB TYR 18 61.197 61.344 29.581 +ATOM 311 CG TYR 18 59.720 60.000 28.800 +ATOM 312 CD1 TYR 18 59.470 59.130 29.850 +ATOM 313 HD1 TYR 18 59.649 59.511 30.855 +ATOM 314 CE1 TYR 18 59.010 57.820 29.670 +ATOM 315 HE1 TYR 18 58.844 57.165 30.525 +ATOM 316 CZ TYR 18 58.740 57.360 28.370 +ATOM 317 OH TYR 18 58.220 56.100 28.150 +ATOM 318 HH TYR 18 58.075 55.607 28.961 +ATOM 319 CE2 TYR 18 59.030 58.200 27.260 +ATOM 320 HE2 TYR 18 58.885 57.835 26.243 +ATOM 321 CD2 TYR 18 59.510 59.520 27.480 +ATOM 322 HD2 TYR 18 59.720 60.172 26.632 +ATOM 323 C TYR 18 58.040 62.710 29.120 +ATOM 324 O TYR 18 57.080 62.760 29.930 +ATOM 325 N LYS 19 57.830 62.750 27.840 +ATOM 326 H LYS 19 58.601 62.699 27.190 +ATOM 327 CA LYS 19 56.470 62.830 27.300 +ATOM 328 HA LYS 19 55.794 62.707 28.146 +ATOM 329 CB LYS 19 56.090 64.120 26.550 +ATOM 330 2HB LYS 19 56.827 64.230 25.754 +ATOM 331 3HB LYS 19 55.109 63.932 26.113 +ATOM 332 CG LYS 19 56.040 65.420 27.390 +ATOM 333 2HG LYS 19 55.727 65.114 28.388 +ATOM 334 3HG LYS 19 57.066 65.786 27.428 +ATOM 335 CD LYS 19 55.090 66.570 26.870 +ATOM 336 2HD LYS 19 55.209 66.598 25.787 +ATOM 337 3HD LYS 19 54.074 66.262 27.116 +ATOM 338 CE LYS 19 55.360 67.990 27.460 +ATOM 339 2HE LYS 19 54.823 68.116 28.400 +ATOM 340 3HE LYS 19 56.427 68.131 27.630 +ATOM 341 NZ LYS 19 54.890 68.970 26.500 +ATOM 342 1HZ LYS 19 53.901 68.840 26.343 +ATOM 343 2HZ LYS 19 55.054 69.899 26.860 +ATOM 344 3HZ LYS 19 55.388 68.854 25.629 +ATOM 345 C LYS 19 56.240 61.690 26.230 +ATOM 346 O LYS 19 57.150 61.180 25.600 +ATOM 347 N ASP 20 54.990 61.370 25.970 +ATOM 348 H ASP 20 54.307 61.692 26.641 +ATOM 349 CA ASP 20 54.540 60.480 24.890 +ATOM 350 HA ASP 20 55.233 59.641 24.825 +ATOM 351 CB ASP 20 53.150 59.940 25.100 +ATOM 352 2HB ASP 20 53.075 58.945 24.661 +ATOM 353 3HB ASP 20 53.073 59.864 26.185 +ATOM 354 CG ASP 20 52.040 60.800 24.580 +ATOM 355 OD1 ASP 20 52.160 62.020 24.720 +ATOM 356 OD2 ASP 20 51.120 60.170 23.970 +ATOM 357 C ASP 20 54.680 61.120 23.510 +ATOM 358 O ASP 20 54.810 62.340 23.340 +ATOM 359 N THR 21 54.410 60.330 22.480 +ATOM 360 H THR 21 54.238 59.357 22.690 +ATOM 361 CA THR 21 54.490 60.740 21.050 +ATOM 362 HA THR 21 55.432 61.279 20.949 +ATOM 363 CB THR 21 54.510 59.560 20.120 +ATOM 364 HB THR 21 54.573 59.950 19.104 +ATOM 365 CG2 THR 21 55.630 58.630 20.360 +ATOM 366 1HG2 THR 21 55.567 58.239 21.376 +ATOM 367 2HG2 THR 21 55.576 57.805 19.650 +ATOM 368 3HG2 THR 21 56.575 59.158 20.232 +ATOM 369 OG1 THR 21 53.370 58.770 20.320 +ATOM 370 1HG THR 21 53.392 58.019 19.722 +ATOM 371 C THR 21 53.420 61.760 20.580 +ATOM 372 O THR 21 53.510 62.420 19.550 +ATOM 373 N GLU 22 52.370 61.890 21.420 +ATOM 374 H GLU 22 52.141 61.163 22.082 +ATOM 375 CA GLU 22 51.390 63.000 21.220 +ATOM 376 HA GLU 22 51.364 63.236 20.156 +ATOM 377 CB GLU 22 49.950 62.670 21.690 +ATOM 378 2HB GLU 22 50.024 62.364 22.734 +ATOM 379 3HB GLU 22 49.380 63.596 21.623 +ATOM 380 CG GLU 22 49.270 61.620 20.920 +ATOM 381 2HG GLU 22 49.977 60.796 20.823 +ATOM 382 3HG GLU 22 48.439 61.312 21.555 +ATOM 383 CD GLU 22 48.730 62.010 19.510 +ATOM 384 OE1 GLU 22 49.320 62.760 18.700 +ATOM 385 OE2 GLU 22 47.650 61.550 19.100 +ATOM 386 C GLU 22 51.780 64.410 21.720 +ATOM 387 O GLU 22 51.850 65.320 20.940 +ATOM 388 N GLY 23 52.120 64.480 23.040 +ATOM 389 H GLY 23 51.935 63.652 23.587 +ATOM 390 CA GLY 23 52.700 65.600 23.690 +ATOM 391 2HA GLY 23 53.783 65.532 23.588 +ATOM 392 3HA GLY 23 52.345 66.505 23.196 +ATOM 393 C GLY 23 52.350 65.670 25.150 +ATOM 394 O GLY 23 52.190 66.800 25.620 +ATOM 395 N TYR 24 52.440 64.580 25.870 +ATOM 396 H TYR 24 52.868 63.735 25.520 +ATOM 397 CA TYR 24 51.870 64.560 27.200 +ATOM 398 HA TYR 24 51.709 65.573 27.570 +ATOM 399 CB TYR 24 50.510 63.840 27.130 +ATOM 400 2HB TYR 24 50.666 62.779 26.934 +ATOM 401 3HB TYR 24 50.167 63.972 28.156 +ATOM 402 CG TYR 24 49.450 64.390 26.160 +ATOM 403 CD1 TYR 24 49.030 65.710 26.110 +ATOM 404 HD1 TYR 24 49.508 66.465 26.734 +ATOM 405 CE1 TYR 24 47.960 66.080 25.230 +ATOM 406 HE1 TYR 24 47.600 67.108 25.181 +ATOM 407 CZ TYR 24 47.440 65.120 24.370 +ATOM 408 OH TYR 24 46.340 65.580 23.700 +ATOM 409 HH TYR 24 46.110 66.483 23.932 +ATOM 410 CE2 TYR 24 47.950 63.840 24.300 +ATOM 411 HE2 TYR 24 47.564 63.115 23.583 +ATOM 412 CD2 TYR 24 48.980 63.480 25.170 +ATOM 413 HD2 TYR 24 49.435 62.492 25.097 +ATOM 414 C TYR 24 52.810 63.850 28.250 +ATOM 415 O TYR 24 53.450 62.890 27.930 +ATOM 416 N TYR 25 52.810 64.360 29.440 +ATOM 417 H TYR 25 52.183 65.131 29.622 +ATOM 418 CA TYR 25 53.680 63.940 30.480 +ATOM 419 HA TYR 25 54.702 63.887 30.104 +ATOM 420 CB TYR 25 53.640 64.930 31.660 +ATOM 421 2HB TYR 25 52.628 65.019 32.055 +ATOM 422 3HB TYR 25 54.271 64.425 32.391 +ATOM 423 CG TYR 25 54.200 66.320 31.380 +ATOM 424 CD1 TYR 25 55.570 66.460 31.110 +ATOM 425 HD1 TYR 25 56.215 65.584 31.180 +ATOM 426 CE1 TYR 25 56.120 67.720 30.750 +ATOM 427 HE1 TYR 25 57.189 67.798 30.553 +ATOM 428 CZ TYR 25 55.310 68.860 30.680 +ATOM 429 OH TYR 25 55.870 70.020 30.400 +ATOM 430 HH TYR 25 56.819 69.956 30.268 +ATOM 431 CE2 TYR 25 53.900 68.720 30.880 +ATOM 432 HE2 TYR 25 53.221 69.562 30.747 +ATOM 433 CD2 TYR 25 53.390 67.450 31.260 +ATOM 434 HD2 TYR 25 52.327 67.330 31.471 +ATOM 435 C TYR 25 53.420 62.500 31.060 +ATOM 436 O TYR 25 52.270 62.120 31.250 +ATOM 437 N THR 26 54.550 61.770 31.090 +ATOM 438 H THR 26 55.387 62.330 31.169 +ATOM 439 CA THR 26 54.690 60.310 31.070 +ATOM 440 HA THR 26 53.786 59.790 31.387 +ATOM 441 CB THR 26 54.960 59.970 29.600 +ATOM 442 HB THR 26 55.747 60.656 29.287 +ATOM 443 CG2 THR 26 55.380 58.510 29.260 +ATOM 444 1HG2 THR 26 54.593 57.823 29.572 +ATOM 445 2HG2 THR 26 55.537 58.417 28.185 +ATOM 446 3HG2 THR 26 56.304 58.266 29.784 +ATOM 447 OG1 THR 26 53.800 60.220 28.870 +ATOM 448 1HG THR 26 53.953 60.012 27.945 +ATOM 449 C THR 26 55.880 59.930 31.920 +ATOM 450 O THR 26 56.740 60.800 32.160 +ATOM 451 N ILE 27 56.000 58.670 32.430 +ATOM 452 H ILE 27 55.225 58.024 32.398 +ATOM 453 CA ILE 27 57.200 58.260 33.100 +ATOM 454 HA ILE 27 58.081 58.482 32.499 +ATOM 455 CB ILE 27 57.340 58.940 34.500 +ATOM 456 HB ILE 27 57.185 60.015 34.408 +ATOM 457 CG2 ILE 27 56.280 58.350 35.440 +ATOM 458 1HG2 ILE 27 56.434 57.275 35.533 +ATOM 459 2HG2 ILE 27 56.365 58.815 36.422 +ATOM 460 3HG2 ILE 27 55.287 58.540 35.033 +ATOM 461 CG1 ILE 27 58.700 58.870 35.220 +ATOM 462 2HG1 ILE 27 58.934 57.816 35.371 +ATOM 463 3HG1 ILE 27 59.442 59.316 34.557 +ATOM 464 CD1 ILE 27 58.720 59.590 36.560 +ATOM 465 1HD1 ILE 27 57.979 59.145 37.223 +ATOM 466 2HD1 ILE 27 59.709 59.498 37.008 +ATOM 467 3HD1 ILE 27 58.486 60.644 36.410 +ATOM 468 C ILE 27 57.270 56.700 33.240 +ATOM 469 O ILE 27 56.300 55.950 33.240 +ATOM 470 N GLY 28 58.500 56.270 33.580 +ATOM 471 H GLY 28 59.218 56.973 33.685 +ATOM 472 CA GLY 28 58.870 54.840 33.810 +ATOM 473 2HA GLY 28 59.817 54.809 34.348 +ATOM 474 3HA GLY 28 58.093 54.374 34.416 +ATOM 475 C GLY 28 59.010 54.090 32.550 +ATOM 476 O GLY 28 59.970 54.210 31.790 +ATOM 477 N ILE 29 58.010 53.310 32.170 +ATOM 478 H ILE 29 57.256 53.205 32.833 +ATOM 479 CA ILE 29 57.920 52.580 30.880 +ATOM 480 HA ILE 29 58.508 52.832 29.997 +ATOM 481 CB ILE 29 58.080 51.100 31.190 +ATOM 482 HB ILE 29 57.430 50.871 32.035 +ATOM 483 CG2 ILE 29 57.720 50.170 29.990 +ATOM 484 1HG2 ILE 29 58.370 50.398 29.145 +ATOM 485 2HG2 ILE 29 57.857 49.129 30.283 +ATOM 486 3HG2 ILE 29 56.681 50.332 29.703 +ATOM 487 CG1 ILE 29 59.370 50.730 31.970 +ATOM 488 2HG1 ILE 29 60.219 50.781 31.289 +ATOM 489 3HG1 ILE 29 59.510 51.448 32.779 +ATOM 490 CD1 ILE 29 59.270 49.350 32.540 +ATOM 491 1HD1 ILE 29 59.131 48.632 31.732 +ATOM 492 2HD1 ILE 29 60.185 49.113 33.082 +ATOM 493 3HD1 ILE 29 58.421 49.299 33.222 +ATOM 494 C ILE 29 56.540 52.950 30.340 +ATOM 495 O ILE 29 55.490 52.420 30.710 +ATOM 496 N GLY 30 56.530 53.960 29.520 +ATOM 497 H GLY 30 57.431 54.405 29.422 +ATOM 498 CA GLY 30 55.380 54.510 28.740 +ATOM 499 2HA GLY 30 55.774 55.360 28.183 +ATOM 500 3HA GLY 30 55.086 53.724 28.044 +ATOM 501 C GLY 30 54.150 54.960 29.530 +ATOM 502 O GLY 30 53.240 55.450 28.880 +ATOM 503 N HIE 31 54.110 54.930 30.840 +ATOM 504 H HIE 31 54.922 54.598 31.340 +ATOM 505 CA HIE 31 52.840 55.240 31.640 +ATOM 506 HA HIE 31 51.979 54.758 31.176 +ATOM 507 CB HIE 31 52.980 54.720 33.060 +ATOM 508 2HB HIE 31 52.918 53.632 33.057 +ATOM 509 3HB HIE 31 53.976 55.026 33.379 +ATOM 510 CG HIE 31 52.010 55.210 34.130 +ATOM 511 ND1 HIE 31 50.690 54.750 34.320 +ATOM 512 CE1 HIE 31 50.220 55.560 35.320 +ATOM 513 HE1 HIE 31 49.181 55.453 35.633 +ATOM 514 NE2 HIE 31 51.210 56.400 35.760 +ATOM 515 HE2 HIE 31 51.120 57.049 36.528 +ATOM 516 CD2 HIE 31 52.330 56.230 35.010 +ATOM 517 HD2 HIE 31 53.208 56.850 35.193 +ATOM 518 C HIE 31 52.480 56.680 31.590 +ATOM 519 O HIE 31 53.270 57.420 32.200 +ATOM 520 N LEU 32 51.430 57.070 30.910 +ATOM 521 H LEU 32 51.096 56.329 30.311 +ATOM 522 CA LEU 32 50.800 58.390 30.800 +ATOM 523 HA LEU 32 51.534 59.102 30.423 +ATOM 524 CB LEU 32 49.580 58.380 29.840 +ATOM 525 2HB LEU 32 49.962 58.049 28.874 +ATOM 526 3HB LEU 32 48.910 57.621 30.244 +ATOM 527 CG LEU 32 48.800 59.720 29.660 +ATOM 528 HG LEU 32 48.141 59.856 30.518 +ATOM 529 CD1 LEU 32 49.730 60.880 29.560 +ATOM 530 1HD1 LEU 32 50.389 60.745 28.702 +ATOM 531 2HD1 LEU 32 49.155 61.798 29.435 +ATOM 532 3HD1 LEU 32 50.327 60.947 30.469 +ATOM 533 CD2 LEU 32 47.960 59.680 28.360 +ATOM 534 1HD2 LEU 32 47.247 58.857 28.413 +ATOM 535 2HD2 LEU 32 47.421 60.620 28.246 +ATOM 536 3HD2 LEU 32 48.620 59.534 27.505 +ATOM 537 C LEU 32 50.480 58.920 32.200 +ATOM 538 O LEU 32 49.490 58.450 32.770 +ATOM 539 N LEU 33 51.170 59.870 32.730 +ATOM 540 H LEU 33 52.118 59.997 32.405 +ATOM 541 CA LEU 33 50.740 60.610 33.900 +ATOM 542 HA LEU 33 50.421 59.921 34.683 +ATOM 543 CB LEU 33 51.930 61.480 34.450 +ATOM 544 2HB LEU 33 52.280 62.103 33.627 +ATOM 545 3HB LEU 33 51.478 62.111 35.215 +ATOM 546 CG LEU 33 53.110 60.720 35.050 +ATOM 547 HG LEU 33 53.512 59.953 34.388 +ATOM 548 CD1 LEU 33 54.110 61.810 35.210 +ATOM 549 1HD1 LEU 33 53.709 62.577 35.872 +ATOM 550 2HD1 LEU 33 55.026 61.403 35.639 +ATOM 551 3HD1 LEU 33 54.329 62.249 34.237 +ATOM 552 CD2 LEU 33 52.780 60.090 36.400 +ATOM 553 1HD2 LEU 33 51.956 59.387 36.282 +ATOM 554 2HD2 LEU 33 53.655 59.563 36.779 +ATOM 555 3HD2 LEU 33 52.493 60.870 37.105 +ATOM 556 C LEU 33 49.420 61.410 33.800 +ATOM 557 O LEU 33 48.520 61.160 34.580 +ATOM 558 N THR 34 49.330 62.370 32.940 +ATOM 559 H THR 34 50.139 62.610 32.385 +ATOM 560 CA THR 34 48.070 63.160 32.740 +ATOM 561 HA THR 34 47.297 62.395 32.806 +ATOM 562 CB THR 34 47.840 64.200 33.880 +ATOM 563 HB THR 34 47.611 63.660 34.798 +ATOM 564 CG2 THR 34 49.080 65.080 34.100 +ATOM 565 1HG2 THR 34 49.310 65.621 33.182 +ATOM 566 2HG2 THR 34 48.883 65.792 34.901 +ATOM 567 3HG2 THR 34 49.928 64.452 34.373 +ATOM 568 OG1 THR 34 46.920 65.140 33.540 +ATOM 569 1HG THR 34 46.810 65.757 34.267 +ATOM 570 C THR 34 48.130 63.920 31.390 +ATOM 571 O THR 34 49.230 64.280 30.940 +ATOM 572 N LYS 35 47.000 64.270 30.740 +ATOM 573 H LYS 35 46.148 63.775 30.962 +ATOM 574 CA LYS 35 46.990 65.230 29.560 +ATOM 575 HA LYS 35 47.864 65.054 28.933 +ATOM 576 CB LYS 35 45.710 65.020 28.700 +ATOM 577 2HB LYS 35 44.916 64.666 29.358 +ATOM 578 3HB LYS 35 45.427 65.983 28.275 +ATOM 579 CG LYS 35 45.930 63.990 27.550 +ATOM 580 2HG LYS 35 46.880 64.254 27.086 +ATOM 581 3HG LYS 35 46.019 63.016 28.031 +ATOM 582 CD LYS 35 44.810 63.930 26.450 +ATOM 583 2HD LYS 35 43.851 63.850 26.961 +ATOM 584 3HD LYS 35 44.847 64.866 25.892 +ATOM 585 CE LYS 35 44.980 62.700 25.440 +ATOM 586 2HE LYS 35 45.875 62.853 24.837 +ATOM 587 3HE LYS 35 45.082 61.778 26.013 +ATOM 588 NZ LYS 35 43.780 62.600 24.540 +ATOM 589 1HZ LYS 35 43.685 63.454 24.009 +ATOM 590 2HZ LYS 35 43.898 61.821 23.907 +ATOM 591 3HZ LYS 35 42.951 62.457 25.099 +ATOM 592 C LYS 35 47.220 66.740 29.830 +ATOM 593 O LYS 35 47.610 67.520 28.920 +ATOM 594 N SER 36 47.120 67.210 31.060 +ATOM 595 H SER 36 46.771 66.512 31.702 +ATOM 596 CA SER 36 47.390 68.600 31.590 +ATOM 597 HA SER 36 46.747 69.326 31.092 +ATOM 598 CB SER 36 47.090 68.640 33.140 +ATOM 599 2HB SER 36 46.042 68.404 33.326 +ATOM 600 3HB SER 36 47.722 67.923 33.664 +ATOM 601 OG SER 36 47.370 69.950 33.610 +ATOM 602 HG SER 36 47.194 69.996 34.553 +ATOM 603 C SER 36 48.810 68.930 31.260 +ATOM 604 O SER 36 49.660 68.210 31.760 +ATOM 605 N PRO 37 49.120 70.030 30.460 +ATOM 606 CD PRO 37 48.080 70.860 29.880 +ATOM 607 2HD PRO 37 47.470 71.314 30.661 +ATOM 608 3HD PRO 37 47.444 70.272 29.219 +ATOM 609 CG PRO 37 48.930 71.900 29.110 +ATOM 610 2HG PRO 37 49.196 72.738 29.755 +ATOM 611 3HG PRO 37 48.392 72.271 28.237 +ATOM 612 CB PRO 37 50.200 71.080 28.680 +ATOM 613 2HB PRO 37 51.039 71.741 28.463 +ATOM 614 3HB PRO 37 50.099 70.347 27.880 +ATOM 615 CA PRO 37 50.430 70.370 30.010 +ATOM 616 HA PRO 37 51.005 69.471 29.786 +ATOM 617 C PRO 37 51.110 71.140 31.140 +ATOM 618 O PRO 37 51.620 72.250 30.970 +ATOM 619 N SER 38 51.200 70.520 32.330 +ATOM 620 H SER 38 50.850 69.572 32.320 +ATOM 621 CA SER 38 51.620 71.080 33.590 +ATOM 622 HA SER 38 52.235 71.952 33.367 +ATOM 623 CB SER 38 50.480 71.510 34.540 +ATOM 624 2HB SER 38 49.925 72.348 34.119 +ATOM 625 3HB SER 38 49.799 70.679 34.724 +ATOM 626 OG SER 38 51.070 71.900 35.740 +ATOM 627 HG SER 38 50.388 72.175 36.357 +ATOM 628 C SER 38 52.560 70.060 34.230 +ATOM 629 O SER 38 52.050 69.020 34.610 +ATOM 630 N LEU 39 53.860 70.290 34.310 +ATOM 631 H LEU 39 54.205 71.138 33.883 +ATOM 632 CA LEU 39 54.840 69.370 34.940 +ATOM 633 HA LEU 39 54.771 68.347 34.569 +ATOM 634 CB LEU 39 56.180 69.950 34.520 +ATOM 635 2HB LEU 39 56.230 70.015 33.433 +ATOM 636 3HB LEU 39 56.201 70.954 34.945 +ATOM 637 CG LEU 39 57.380 69.150 35.040 +ATOM 638 HG LEU 39 57.318 69.163 36.128 +ATOM 639 CD1 LEU 39 57.450 67.700 34.550 +ATOM 640 1HD1 LEU 39 57.513 67.686 33.462 +ATOM 641 2HD1 LEU 39 58.332 67.216 34.970 +ATOM 642 3HD1 LEU 39 56.556 67.165 34.869 +ATOM 643 CD2 LEU 39 58.620 69.930 34.430 +ATOM 644 1HD2 LEU 39 58.615 70.959 34.789 +ATOM 645 2HD2 LEU 39 59.544 69.442 34.739 +ATOM 646 3HD2 LEU 39 58.553 69.925 33.342 +ATOM 647 C LEU 39 54.700 69.260 36.490 +ATOM 648 O LEU 39 55.140 68.260 36.980 +ATOM 649 N ASN 40 53.940 70.220 37.130 +ATOM 650 H ASN 40 53.932 71.092 36.620 +ATOM 651 CA ASN 40 53.390 70.200 38.430 +ATOM 652 HA ASN 40 54.111 69.747 39.110 +ATOM 653 CB ASN 40 53.050 71.600 38.940 +ATOM 654 2HB ASN 40 52.609 72.092 38.073 +ATOM 655 3HB ASN 40 52.363 71.667 39.783 +ATOM 656 CG ASN 40 54.320 72.310 39.300 +ATOM 657 OD1 ASN 40 54.950 71.990 40.320 +ATOM 658 ND2 ASN 40 54.680 73.410 38.590 +ATOM 659 1HD2 ASN 40 55.533 73.899 38.821 +ATOM 660 2HD2 ASN 40 54.093 73.734 37.835 +ATOM 661 C ASN 40 52.290 69.160 38.480 +ATOM 662 O ASN 40 52.340 68.240 39.350 +ATOM 663 N ALA 41 51.320 69.170 37.630 +ATOM 664 H ALA 41 51.160 69.980 37.048 +ATOM 665 CA ALA 41 50.300 68.090 37.630 +ATOM 666 HA ALA 41 49.865 68.043 38.628 +ATOM 667 CB ALA 41 49.200 68.540 36.630 +ATOM 668 1HB ALA 41 49.618 68.583 35.624 +ATOM 669 2HB ALA 41 48.376 67.827 36.650 +ATOM 670 3HB ALA 41 48.833 69.527 36.913 +ATOM 671 C ALA 41 50.890 66.730 37.420 +ATOM 672 O ALA 41 50.620 65.840 38.260 +ATOM 673 N ALA 42 51.880 66.540 36.520 +ATOM 674 H ALA 42 52.079 67.271 35.852 +ATOM 675 CA ALA 42 52.600 65.280 36.400 +ATOM 676 HA ALA 42 51.883 64.491 36.172 +ATOM 677 CB ALA 42 53.600 65.390 35.230 +ATOM 678 1HB ALA 42 54.330 66.169 35.448 +ATOM 679 2HB ALA 42 54.114 64.438 35.100 +ATOM 680 3HB ALA 42 53.063 65.641 34.315 +ATOM 681 C ALA 42 53.290 64.870 37.760 +ATOM 682 O ALA 42 53.060 63.720 38.110 +ATOM 683 N LYS 43 54.080 65.660 38.430 +ATOM 684 H LYS 43 54.460 66.432 37.901 +ATOM 685 CA LYS 43 54.560 65.450 39.780 +ATOM 686 HA LYS 43 55.203 64.570 39.793 +ATOM 687 CB LYS 43 55.380 66.680 40.320 +ATOM 688 2HB LYS 43 54.755 67.563 40.189 +ATOM 689 3HB LYS 43 55.549 66.510 41.383 +ATOM 690 CG LYS 43 56.740 66.900 39.610 +ATOM 691 2HG LYS 43 57.370 66.035 39.819 +ATOM 692 3HG LYS 43 56.552 66.962 38.538 +ATOM 693 CD LYS 43 57.410 68.100 40.050 +ATOM 694 2HD LYS 43 56.733 68.949 39.959 +ATOM 695 3HD LYS 43 57.713 67.987 41.091 +ATOM 696 CE LYS 43 58.650 68.340 39.180 +ATOM 697 2HE LYS 43 59.191 67.397 39.099 +ATOM 698 3HE LYS 43 58.312 68.651 38.191 +ATOM 699 NZ LYS 43 59.540 69.370 39.740 +ATOM 700 1HZ LYS 43 59.854 69.082 40.656 +ATOM 701 2HZ LYS 43 60.338 69.491 39.133 +ATOM 702 3HZ LYS 43 59.039 70.244 39.815 +ATOM 703 C LYS 43 53.510 65.040 40.810 +ATOM 704 O LYS 43 53.840 64.310 41.690 +ATOM 705 N SER 44 52.330 65.670 40.750 +ATOM 706 H SER 44 52.267 66.549 40.256 +ATOM 707 CA SER 44 51.150 65.220 41.550 +ATOM 708 HA SER 44 51.393 65.132 42.609 +ATOM 709 CB SER 44 50.050 66.310 41.380 +ATOM 710 2HB SER 44 50.456 67.297 41.599 +ATOM 711 3HB SER 44 49.656 66.297 40.364 +ATOM 712 OG SER 44 48.990 66.010 42.310 +ATOM 713 HG SER 44 48.296 66.668 42.227 +ATOM 714 C SER 44 50.740 63.810 41.240 +ATOM 715 O SER 44 50.710 63.000 42.150 +ATOM 716 N GLU 45 50.250 63.490 40.040 +ATOM 717 H GLU 45 50.326 64.158 39.286 +ATOM 718 CA GLU 45 49.660 62.140 39.740 +ATOM 719 HA GLU 45 48.774 61.975 40.353 +ATOM 720 CB GLU 45 49.250 62.060 38.240 +ATOM 721 2HB GLU 45 50.191 62.079 37.690 +ATOM 722 3HB GLU 45 48.784 61.081 38.128 +ATOM 723 CG GLU 45 48.320 63.130 37.690 +ATOM 724 2HG GLU 45 48.827 64.094 37.739 +ATOM 725 3HG GLU 45 48.074 62.901 36.653 +ATOM 726 CD GLU 45 47.000 63.190 38.540 +ATOM 727 OE1 GLU 45 46.030 62.470 38.170 +ATOM 728 OE2 GLU 45 46.910 63.930 39.540 +ATOM 729 C GLU 45 50.750 61.100 39.960 +ATOM 730 O GLU 45 50.450 59.940 40.130 +ATOM 731 N LEU 46 52.020 61.520 40.000 +ATOM 732 H LEU 46 52.192 62.496 39.806 +ATOM 733 CA LEU 46 53.180 60.640 40.240 +ATOM 734 HA LEU 46 53.078 59.682 39.730 +ATOM 735 CB LEU 46 54.420 61.390 39.650 +ATOM 736 2HB LEU 46 54.374 61.598 38.581 +ATOM 737 3HB LEU 46 54.433 62.330 40.203 +ATOM 738 CG LEU 46 55.690 60.600 39.960 +ATOM 739 HG LEU 46 55.704 60.334 41.017 +ATOM 740 CD1 LEU 46 55.720 59.290 39.090 +ATOM 741 1HD1 LEU 46 55.707 59.555 38.033 +ATOM 742 2HD1 LEU 46 56.626 58.727 39.312 +ATOM 743 3HD1 LEU 46 54.847 58.679 39.322 +ATOM 744 CD2 LEU 46 56.840 61.460 39.430 +ATOM 745 1HD2 LEU 46 56.836 62.425 39.937 +ATOM 746 2HD2 LEU 46 57.788 60.956 39.618 +ATOM 747 3HD2 LEU 46 56.716 61.613 38.358 +ATOM 748 C LEU 46 53.280 60.340 41.790 +ATOM 749 O LEU 46 53.220 59.170 42.270 +ATOM 750 N ASP 47 53.420 61.400 42.630 +ATOM 751 H ASP 47 53.598 62.331 42.282 +ATOM 752 CA ASP 47 53.420 61.190 44.070 +ATOM 753 HA ASP 47 54.259 60.546 44.331 +ATOM 754 CB ASP 47 53.550 62.530 44.870 +ATOM 755 2HB ASP 47 52.737 63.133 44.466 +ATOM 756 3HB ASP 47 53.345 62.297 45.915 +ATOM 757 CG ASP 47 54.860 63.310 44.770 +ATOM 758 OD1 ASP 47 55.900 62.720 44.390 +ATOM 759 OD2 ASP 47 54.810 64.520 45.140 +ATOM 760 C ASP 47 52.200 60.420 44.550 +ATOM 761 O ASP 47 52.320 59.610 45.500 +ATOM 762 N LYS 48 51.040 60.640 43.910 +ATOM 763 H LYS 48 51.095 61.373 43.217 +ATOM 764 CA LYS 48 49.760 59.960 44.100 +ATOM 765 HA LYS 48 49.427 60.033 45.135 +ATOM 766 CB LYS 48 48.720 60.650 43.200 +ATOM 767 2HB LYS 48 49.207 60.934 42.267 +ATOM 768 3HB LYS 48 47.921 59.939 42.990 +ATOM 769 CG LYS 48 48.130 61.900 43.870 +ATOM 770 2HG LYS 48 47.454 61.578 44.662 +ATOM 771 3HG LYS 48 48.948 62.476 44.303 +ATOM 772 CD LYS 48 47.350 62.790 42.850 +ATOM 773 2HD LYS 48 47.233 63.759 43.335 +ATOM 774 3HD LYS 48 48.007 62.893 41.987 +ATOM 775 CE LYS 48 45.980 62.280 42.390 +ATOM 776 2HE LYS 48 46.141 61.390 41.782 +ATOM 777 3HE LYS 48 45.406 62.014 43.278 +ATOM 778 NZ LYS 48 45.230 63.290 41.600 +ATOM 779 1HZ LYS 48 45.761 63.536 40.777 +ATOM 780 2HZ LYS 48 44.338 62.906 41.322 +ATOM 781 3HZ LYS 48 45.081 64.115 42.163 +ATOM 782 C LYS 48 49.880 58.500 43.720 +ATOM 783 O LYS 48 49.620 57.640 44.580 +ATOM 784 N ALA 49 50.250 58.110 42.500 +ATOM 785 H ALA 49 50.373 58.791 41.764 +ATOM 786 CA ALA 49 50.290 56.670 42.140 +ATOM 787 HA ALA 49 49.334 56.305 42.516 +ATOM 788 CB ALA 49 50.310 56.510 40.610 +ATOM 789 1HB ALA 49 51.264 56.863 40.220 +ATOM 790 2HB ALA 49 50.179 55.459 40.352 +ATOM 791 3HB ALA 49 49.500 57.094 40.172 +ATOM 792 C ALA 49 51.370 55.840 42.830 +ATOM 793 O ALA 49 51.100 54.650 43.090 +ATOM 794 N ILE 50 52.470 56.460 43.240 +ATOM 795 H ILE 50 52.579 57.428 42.974 +ATOM 796 CA ILE 50 53.550 55.820 43.970 +ATOM 797 HA ILE 50 53.629 54.759 43.731 +ATOM 798 CB ILE 50 54.930 56.480 43.830 +ATOM 799 HB ILE 50 54.785 57.543 44.021 +ATOM 800 CG2 ILE 50 56.010 55.940 44.760 +ATOM 801 1HG2 ILE 50 56.156 54.877 44.569 +ATOM 802 2HG2 ILE 50 56.944 56.473 44.581 +ATOM 803 3HG2 ILE 50 55.703 56.084 45.796 +ATOM 804 CG1 ILE 50 55.510 56.530 42.450 +ATOM 805 2HG1 ILE 50 54.719 56.922 41.810 +ATOM 806 3HG1 ILE 50 56.328 57.249 42.498 +ATOM 807 CD1 ILE 50 56.010 55.250 41.890 +ATOM 808 1HD1 ILE 50 55.193 54.530 41.841 +ATOM 809 2HD1 ILE 50 56.404 55.420 40.888 +ATOM 810 3HD1 ILE 50 56.801 54.858 42.529 +ATOM 811 C ILE 50 53.290 55.670 45.520 +ATOM 812 O ILE 50 53.480 54.630 46.120 +ATOM 813 N GLY 51 53.090 56.850 46.130 +ATOM 814 H GLY 51 53.115 57.682 45.558 +ATOM 815 CA GLY 51 52.840 57.000 47.560 +ATOM 816 2HA GLY 51 51.794 57.271 47.700 +ATOM 817 3HA GLY 51 53.035 56.044 48.045 +ATOM 818 C GLY 51 53.720 58.070 48.200 +ATOM 819 O GLY 51 53.270 59.120 48.700 +ATOM 820 N ARG 52 54.970 57.780 48.300 +ATOM 821 H ARG 52 55.213 56.819 48.109 +ATOM 822 CA ARG 52 56.020 58.680 48.750 +ATOM 823 HA ARG 52 55.799 59.015 49.763 +ATOM 824 CB ARG 52 57.400 57.980 48.750 +ATOM 825 2HB ARG 52 58.047 58.566 49.403 +ATOM 826 3HB ARG 52 57.248 56.991 49.183 +ATOM 827 CG ARG 52 58.050 57.840 47.390 +ATOM 828 2HG ARG 52 57.287 57.698 46.625 +ATOM 829 3HG ARG 52 58.632 58.733 47.161 +ATOM 830 CD ARG 52 59.000 56.590 47.420 +ATOM 831 2HD ARG 52 59.831 56.772 48.102 +ATOM 832 3HD ARG 52 58.446 55.711 47.750 +ATOM 833 NE ARG 52 59.540 56.330 46.080 +ATOM 834 HE ARG 52 59.005 55.660 45.547 +ATOM 835 CZ ARG 52 60.530 56.950 45.490 +ATOM 836 NH1 ARG 52 61.270 57.830 46.140 +ATOM 837 1HH1 ARG 52 61.073 58.032 47.110 +ATOM 838 2HH1 ARG 52 62.029 58.296 45.664 +ATOM 839 NH2 ARG 52 60.930 56.660 44.310 +ATOM 840 1HH2 ARG 52 60.474 55.922 43.793 +ATOM 841 2HH2 ARG 52 61.700 57.171 43.901 +ATOM 842 C ARG 52 56.160 60.050 47.970 +ATOM 843 O ARG 52 55.620 60.210 46.930 +ATOM 844 N ASN 53 56.950 60.930 48.540 +ATOM 845 H ASN 53 57.160 60.908 49.528 +ATOM 846 CA ASN 53 57.550 62.000 47.720 +ATOM 847 HA ASN 53 56.767 62.462 47.119 +ATOM 848 CB ASN 53 58.230 63.100 48.580 +ATOM 849 2HB ASN 53 58.850 62.506 49.252 +ATOM 850 3HB ASN 53 58.856 63.814 48.045 +ATOM 851 CG ASN 53 57.190 63.890 49.430 +ATOM 852 OD1 ASN 53 56.290 64.440 48.870 +ATOM 853 ND2 ASN 53 57.430 64.090 50.750 +ATOM 854 1HD2 ASN 53 56.762 64.601 51.310 +ATOM 855 2HD2 ASN 53 58.275 63.727 51.167 +ATOM 856 C ASN 53 58.640 61.470 46.740 +ATOM 857 O ASN 53 59.680 61.060 47.190 +ATOM 858 N THR 54 58.390 61.690 45.460 +ATOM 859 H THR 54 57.486 62.082 45.240 +ATOM 860 CA THR 54 59.300 61.350 44.340 +ATOM 861 HA THR 54 60.021 60.641 44.747 +ATOM 862 CB THR 54 58.540 60.670 43.180 +ATOM 863 HB THR 54 59.275 60.401 42.421 +ATOM 864 CG2 THR 54 57.760 59.410 43.610 +ATOM 865 1HG2 THR 54 57.025 59.679 44.368 +ATOM 866 2HG2 THR 54 57.251 58.985 42.745 +ATOM 867 3HG2 THR 54 58.453 58.676 44.021 +ATOM 868 OG1 THR 54 57.560 61.500 42.690 +ATOM 869 1HG THR 54 57.099 61.061 41.971 +ATOM 870 C THR 54 60.020 62.630 43.850 +ATOM 871 O THR 54 61.210 62.600 43.600 +ATOM 872 N ASN 55 59.370 63.800 43.730 +ATOM 873 H ASN 55 58.474 63.904 44.185 +ATOM 874 CA ASN 55 59.820 64.890 42.760 +ATOM 875 HA ASN 55 58.953 65.443 42.399 +ATOM 876 CB ASN 55 60.790 65.890 43.470 +ATOM 877 2HB ASN 55 60.486 66.024 44.508 +ATOM 878 3HB ASN 55 61.777 65.429 43.437 +ATOM 879 CG ASN 55 60.870 67.270 42.800 +ATOM 880 OD1 ASN 55 60.360 67.490 41.700 +ATOM 881 ND2 ASN 55 61.470 68.220 43.480 +ATOM 882 1HD2 ASN 55 61.550 69.146 43.085 +ATOM 883 2HD2 ASN 55 61.849 68.020 44.395 +ATOM 884 C ASN 55 60.340 64.330 41.430 +ATOM 885 O ASN 55 61.480 64.570 41.110 +ATOM 886 N GLY 56 59.440 63.860 40.580 +ATOM 887 H GLY 56 58.539 63.574 40.936 +ATOM 888 CA GLY 56 59.700 63.730 39.090 +ATOM 889 2HA GLY 56 58.713 63.590 38.649 +ATOM 890 3HA GLY 56 60.095 64.701 38.793 +ATOM 891 C GLY 56 60.630 62.640 38.580 +ATOM 892 O GLY 56 60.810 62.520 37.350 +ATOM 893 N VAL 57 61.110 61.770 39.450 +ATOM 894 H VAL 57 60.790 61.955 40.390 +ATOM 895 CA VAL 57 62.010 60.620 39.230 +ATOM 896 HA VAL 57 61.814 60.176 38.254 +ATOM 897 CB VAL 57 63.510 61.050 39.290 +ATOM 898 HB VAL 57 63.872 60.917 40.310 +ATOM 899 CG1 VAL 57 64.390 60.180 38.300 +ATOM 900 1HG1 VAL 57 64.029 60.313 37.280 +ATOM 901 2HG1 VAL 57 65.430 60.500 38.361 +ATOM 902 3HG1 VAL 57 64.317 59.128 38.577 +ATOM 903 CG2 VAL 57 63.820 62.500 38.940 +ATOM 904 1HG2 VAL 57 63.295 63.161 39.630 +ATOM 905 2HG2 VAL 57 64.893 62.672 39.019 +ATOM 906 3HG2 VAL 57 63.494 62.706 37.921 +ATOM 907 C VAL 57 61.790 59.540 40.300 +ATOM 908 O VAL 57 61.440 59.830 41.440 +ATOM 909 N ILE 58 61.880 58.270 39.880 +ATOM 910 H ILE 58 62.258 58.186 38.947 +ATOM 911 CA ILE 58 61.480 56.990 40.620 +ATOM 912 HA ILE 58 61.471 57.041 41.709 +ATOM 913 CB ILE 58 60.040 56.610 40.100 +ATOM 914 HB ILE 58 59.860 55.567 40.360 +ATOM 915 CG2 ILE 58 58.950 57.470 40.690 +ATOM 916 1HG2 ILE 58 59.129 58.513 40.430 +ATOM 917 2HG2 ILE 58 57.985 57.158 40.292 +ATOM 918 3HG2 ILE 58 58.948 57.361 41.775 +ATOM 919 CG1 ILE 58 59.970 56.600 38.570 +ATOM 920 2HG1 ILE 58 60.131 57.631 38.255 +ATOM 921 3HG1 ILE 58 60.804 55.984 38.235 +ATOM 922 CD1 ILE 58 58.680 56.080 37.960 +ATOM 923 1HD1 ILE 58 57.845 56.696 38.294 +ATOM 924 2HD1 ILE 58 58.749 56.121 36.873 +ATOM 925 3HD1 ILE 58 58.519 55.049 38.274 +ATOM 926 C ILE 58 62.500 55.840 40.330 +ATOM 927 O ILE 58 63.600 56.040 39.800 +ATOM 928 N THR 59 62.190 54.640 40.910 +ATOM 929 H THR 59 61.406 54.529 41.537 +ATOM 930 CA THR 59 63.090 53.520 40.730 +ATOM 931 HA THR 59 64.004 53.947 40.317 +ATOM 932 CB THR 59 63.430 52.840 42.110 +ATOM 933 HB THR 59 64.101 52.001 41.927 +ATOM 934 CG2 THR 59 64.100 53.830 43.070 +ATOM 935 1HG2 THR 59 63.429 54.669 43.254 +ATOM 936 2HG2 THR 59 64.322 53.329 44.013 +ATOM 937 3HG2 THR 59 65.026 54.196 42.627 +ATOM 938 OG1 THR 59 62.240 52.470 42.770 +ATOM 939 1HG THR 59 62.455 52.057 43.609 +ATOM 940 C THR 59 62.530 52.480 39.670 +ATOM 941 O THR 59 61.390 52.670 39.250 +ATOM 942 N LYS 60 63.390 51.500 39.320 +ATOM 943 H LYS 60 64.291 51.447 39.774 +ATOM 944 CA LYS 60 63.110 50.560 38.180 +ATOM 945 HA LYS 60 62.698 51.142 37.356 +ATOM 946 CB LYS 60 64.340 49.810 37.680 +ATOM 947 2HB LYS 60 65.090 50.573 37.472 +ATOM 948 3HB LYS 60 64.672 49.193 38.515 +ATOM 949 CG LYS 60 64.160 48.980 36.510 +ATOM 950 2HG LYS 60 63.670 48.059 36.827 +ATOM 951 3HG LYS 60 63.511 49.516 35.817 +ATOM 952 CD LYS 60 65.450 48.650 35.830 +ATOM 953 2HD LYS 60 65.888 49.548 35.395 +ATOM 954 3HD LYS 60 66.151 48.213 36.541 +ATOM 955 CE LYS 60 65.150 47.630 34.710 +ATOM 956 2HE LYS 60 64.207 47.953 34.269 +ATOM 957 3HE LYS 60 65.952 47.754 33.983 +ATOM 958 NZ LYS 60 65.050 46.190 35.100 +ATOM 959 1HZ LYS 60 64.306 46.075 35.774 +ATOM 960 2HZ LYS 60 64.852 45.632 34.281 +ATOM 961 3HZ LYS 60 65.924 45.890 35.508 +ATOM 962 C LYS 60 62.010 49.600 38.510 +ATOM 963 O LYS 60 61.050 49.490 37.740 +ATOM 964 N ASP 61 61.950 48.970 39.670 +ATOM 965 H ASP 61 62.863 48.935 40.101 +ATOM 966 CA ASP 61 60.820 48.180 40.310 +ATOM 967 HA ASP 61 60.556 47.337 39.672 +ATOM 968 CB ASP 61 61.240 47.640 41.690 +ATOM 969 2HB ASP 61 61.504 48.634 42.051 +ATOM 970 3HB ASP 61 60.598 47.147 42.420 +ATOM 971 CG ASP 61 62.520 46.810 41.490 +ATOM 972 OD1 ASP 61 62.540 45.870 40.640 +ATOM 973 OD2 ASP 61 63.300 46.870 42.470 +ATOM 974 C ASP 61 59.480 48.900 40.330 +ATOM 975 O ASP 61 58.500 48.350 39.870 +ATOM 976 N GLU 62 59.470 50.100 40.890 +ATOM 977 H GLU 62 60.295 50.424 41.374 +ATOM 978 CA GLU 62 58.320 51.000 40.800 +ATOM 979 HA GLU 62 57.458 50.602 41.336 +ATOM 980 CB GLU 62 58.740 52.340 41.460 +ATOM 981 2HB GLU 62 59.729 52.599 41.082 +ATOM 982 3HB GLU 62 58.023 53.100 41.151 +ATOM 983 CG GLU 62 58.780 52.270 42.970 +ATOM 984 2HG GLU 62 57.706 52.239 43.156 +ATOM 985 3HG GLU 62 59.254 51.407 43.437 +ATOM 986 CD GLU 62 59.370 53.570 43.570 +ATOM 987 OE1 GLU 62 60.150 54.260 42.890 +ATOM 988 OE2 GLU 62 59.270 53.830 44.800 +ATOM 989 C GLU 62 57.910 51.310 39.390 +ATOM 990 O GLU 62 56.720 51.340 39.170 +ATOM 991 N ALA 63 58.780 51.690 38.440 +ATOM 992 H ALA 63 59.716 51.906 38.751 +ATOM 993 CA ALA 63 58.460 51.860 37.000 +ATOM 994 HA ALA 63 57.799 52.722 36.909 +ATOM 995 CB ALA 63 59.720 52.120 36.170 +ATOM 996 1HB ALA 63 60.388 51.262 36.244 +ATOM 997 2HB ALA 63 59.443 52.276 35.127 +ATOM 998 3HB ALA 63 60.227 53.008 36.547 +ATOM 999 C ALA 63 57.720 50.620 36.420 +ATOM 1000 O ALA 63 56.680 50.780 35.780 +ATOM 1001 N GLU 64 58.330 49.450 36.550 +ATOM 1002 H GLU 64 59.302 49.465 36.824 +ATOM 1003 CA GLU 64 57.720 48.140 36.180 +ATOM 1004 HA GLU 64 57.478 48.103 35.118 +ATOM 1005 CB GLU 64 58.730 47.070 36.480 +ATOM 1006 2HB GLU 64 59.072 47.188 37.508 +ATOM 1007 3HB GLU 64 58.255 46.096 36.365 +ATOM 1008 CG GLU 64 59.940 47.170 35.520 +ATOM 1009 2HG GLU 64 59.476 46.912 34.568 +ATOM 1010 3HG GLU 64 60.373 48.168 35.454 +ATOM 1011 CD GLU 64 61.070 46.130 35.850 +ATOM 1012 OE1 GLU 64 62.100 46.000 35.130 +ATOM 1013 OE2 GLU 64 60.890 45.280 36.780 +ATOM 1014 C GLU 64 56.380 47.900 36.810 +ATOM 1015 O GLU 64 55.510 47.380 36.110 +ATOM 1016 N LYS 65 56.190 48.310 38.100 +ATOM 1017 H LYS 65 56.944 48.762 38.598 +ATOM 1018 CA LYS 65 54.950 48.080 38.800 +ATOM 1019 HA LYS 65 54.663 47.029 38.758 +ATOM 1020 CB LYS 65 55.170 48.480 40.300 +ATOM 1021 2HB LYS 65 56.033 47.891 40.611 +ATOM 1022 3HB LYS 65 55.445 49.534 40.259 +ATOM 1023 CG LYS 65 54.040 48.290 41.300 +ATOM 1024 2HG LYS 65 53.144 48.799 40.944 +ATOM 1025 3HG LYS 65 53.830 47.227 41.421 +ATOM 1026 CD LYS 65 54.460 48.880 42.640 +ATOM 1027 2HD LYS 65 55.469 48.564 42.905 +ATOM 1028 3HD LYS 65 54.415 49.969 42.617 +ATOM 1029 CE LYS 65 53.470 48.350 43.680 +ATOM 1030 2HE LYS 65 52.487 48.363 43.209 +ATOM 1031 3HE LYS 65 53.759 47.320 43.889 +ATOM 1032 NZ LYS 65 53.420 49.110 44.940 +ATOM 1033 1HZ LYS 65 53.152 50.064 44.747 +ATOM 1034 2HZ LYS 65 52.743 48.689 45.560 +ATOM 1035 3HZ LYS 65 54.331 49.098 45.377 +ATOM 1036 C LYS 65 53.820 48.890 38.160 +ATOM 1037 O LYS 65 52.820 48.290 37.710 +ATOM 1038 N LEU 66 54.110 50.220 38.030 +ATOM 1039 H LEU 66 54.925 50.557 38.522 +ATOM 1040 CA LEU 66 53.280 51.200 37.290 +ATOM 1041 HA LEU 66 52.361 51.328 37.862 +ATOM 1042 CB LEU 66 53.920 52.620 37.040 +ATOM 1043 2HB LEU 66 54.856 52.437 36.512 +ATOM 1044 3HB LEU 66 53.230 53.149 36.383 +ATOM 1045 CG LEU 66 54.200 53.490 38.310 +ATOM 1046 HG LEU 66 54.711 52.885 39.059 +ATOM 1047 CD1 LEU 66 55.080 54.680 37.930 +ATOM 1048 1HD1 LEU 66 54.570 55.285 37.181 +ATOM 1049 2HD1 LEU 66 55.275 55.286 38.815 +ATOM 1050 3HD1 LEU 66 56.024 54.319 37.523 +ATOM 1051 CD2 LEU 66 52.930 54.040 38.950 +ATOM 1052 1HD2 LEU 66 52.287 53.213 39.252 +ATOM 1053 2HD2 LEU 66 53.192 54.634 39.825 +ATOM 1054 3HD2 LEU 66 52.402 54.666 38.231 +ATOM 1055 C LEU 66 52.820 50.750 35.970 +ATOM 1056 O LEU 66 51.620 50.800 35.620 +ATOM 1057 N PHE 67 53.820 50.260 35.190 +ATOM 1058 H PHE 67 54.748 50.461 35.536 +ATOM 1059 CA PHE 67 53.690 49.600 33.870 +ATOM 1060 HA PHE 67 53.171 50.246 33.162 +ATOM 1061 CB PHE 67 55.080 49.320 33.340 +ATOM 1062 2HB PHE 67 55.539 50.227 32.947 +ATOM 1063 3HB PHE 67 55.664 48.955 34.185 +ATOM 1064 CG PHE 67 55.190 48.270 32.250 +ATOM 1065 CD1 PHE 67 54.510 48.460 31.040 +ATOM 1066 HD1 PHE 67 53.879 49.346 30.969 +ATOM 1067 CE1 PHE 67 54.610 47.570 29.940 +ATOM 1068 HE1 PHE 67 53.953 47.664 29.076 +ATOM 1069 CZ PHE 67 55.610 46.520 29.980 +ATOM 1070 HZ PHE 67 55.885 45.931 29.106 +ATOM 1071 CE2 PHE 67 56.250 46.270 31.250 +ATOM 1072 HE2 PHE 67 56.925 45.419 31.342 +ATOM 1073 CD2 PHE 67 56.010 47.120 32.380 +ATOM 1074 HD2 PHE 67 56.459 46.884 33.345 +ATOM 1075 C PHE 67 52.790 48.360 33.930 +ATOM 1076 O PHE 67 51.810 48.290 33.220 +ATOM 1077 N ASN 68 52.980 47.500 34.930 +ATOM 1078 H ASN 68 53.832 47.629 35.456 +ATOM 1079 CA ASN 68 52.130 46.290 35.230 +ATOM 1080 HA ASN 68 52.034 45.705 34.315 +ATOM 1081 CB ASN 68 52.710 45.390 36.330 +ATOM 1082 2HB ASN 68 53.229 45.921 37.128 +ATOM 1083 3HB ASN 68 51.867 44.841 36.749 +ATOM 1084 CG ASN 68 53.660 44.410 35.710 +ATOM 1085 OD1 ASN 68 53.250 43.310 35.280 +ATOM 1086 ND2 ASN 68 54.960 44.820 35.540 +ATOM 1087 1HD2 ASN 68 55.634 44.192 35.126 +ATOM 1088 2HD2 ASN 68 55.236 45.747 35.830 +ATOM 1089 C ASN 68 50.600 46.650 35.540 +ATOM 1090 O ASN 68 49.710 46.050 34.850 +ATOM 1091 N GLN 69 50.410 47.680 36.380 +ATOM 1092 H GLN 69 51.212 47.949 36.932 +ATOM 1093 CA GLN 69 49.170 48.370 36.600 +ATOM 1094 HA GLN 69 48.372 47.681 36.875 +ATOM 1095 CB GLN 69 49.400 49.340 37.760 +ATOM 1096 2HB GLN 69 50.281 49.926 37.498 +ATOM 1097 3HB GLN 69 48.527 49.992 37.791 +ATOM 1098 CG GLN 69 49.610 48.680 39.170 +ATOM 1099 2HG GLN 69 48.647 48.230 39.412 +ATOM 1100 3HG GLN 69 50.385 47.913 39.194 +ATOM 1101 CD GLN 69 49.930 49.720 40.210 +ATOM 1102 OE1 GLN 69 49.720 50.930 39.950 +ATOM 1103 NE2 GLN 69 50.510 49.350 41.280 +ATOM 1104 1HE2 GLN 69 50.734 50.031 41.991 +ATOM 1105 2HE2 GLN 69 50.744 48.377 41.413 +ATOM 1106 C GLN 69 48.570 49.140 35.370 +ATOM 1107 O GLN 69 47.390 49.230 35.140 +ATOM 1108 N ASP 70 49.400 49.580 34.390 +ATOM 1109 H ASP 70 50.376 49.551 34.647 +ATOM 1110 CA ASP 70 49.030 50.210 33.090 +ATOM 1111 HA ASP 70 48.039 50.657 33.161 +ATOM 1112 CB ASP 70 50.040 51.310 32.730 +ATOM 1113 2HB ASP 70 50.572 51.709 33.594 +ATOM 1114 3HB ASP 70 50.744 50.796 32.076 +ATOM 1115 CG ASP 70 49.400 52.420 31.990 +ATOM 1116 OD1 ASP 70 49.640 52.510 30.750 +ATOM 1117 OD2 ASP 70 48.570 53.120 32.610 +ATOM 1118 C ASP 70 48.820 49.270 31.930 +ATOM 1119 O ASP 70 48.060 49.640 31.030 +ATOM 1120 N VAL 71 49.390 48.030 31.870 +ATOM 1121 H VAL 71 50.066 47.759 32.570 +ATOM 1122 CA VAL 71 49.030 47.020 30.780 +ATOM 1123 HA VAL 71 48.992 47.579 29.845 +ATOM 1124 CB VAL 71 50.020 45.800 30.600 +ATOM 1125 HB VAL 71 50.097 45.302 31.566 +ATOM 1126 CG1 VAL 71 49.580 44.800 29.550 +ATOM 1127 1HG1 VAL 71 49.503 45.297 28.583 +ATOM 1128 2HG1 VAL 71 50.311 43.994 29.486 +ATOM 1129 3HG1 VAL 71 48.609 44.388 29.824 +ATOM 1130 CG2 VAL 71 51.430 46.250 30.160 +ATOM 1131 1HG2 VAL 71 51.850 46.917 30.912 +ATOM 1132 2HG2 VAL 71 52.073 45.377 30.050 +ATOM 1133 3HG2 VAL 71 51.364 46.774 29.207 +ATOM 1134 C VAL 71 47.670 46.500 31.230 +ATOM 1135 O VAL 71 46.720 46.520 30.430 +ATOM 1136 N ASP 72 47.520 46.070 32.500 +ATOM 1137 H ASP 72 48.369 45.743 32.938 +ATOM 1138 CA ASP 72 46.210 45.750 33.160 +ATOM 1139 HA ASP 72 45.794 44.852 32.704 +ATOM 1140 CB ASP 72 46.370 45.500 34.720 +ATOM 1141 2HB ASP 72 47.003 44.655 34.992 +ATOM 1142 3HB ASP 72 46.839 46.426 35.052 +ATOM 1143 CG ASP 72 44.990 45.350 35.400 +ATOM 1144 OD1 ASP 72 44.480 44.210 35.340 +ATOM 1145 OD2 ASP 72 44.550 46.310 36.090 +ATOM 1146 C ASP 72 45.030 46.610 32.770 +ATOM 1147 O ASP 72 43.950 46.100 32.320 +ATOM 1148 N ALA 73 45.100 47.890 33.110 +ATOM 1149 H ALA 73 45.847 48.094 33.758 +ATOM 1150 CA ALA 73 44.200 49.000 32.700 +ATOM 1151 HA ALA 73 43.298 48.988 33.312 +ATOM 1152 CB ALA 73 44.910 50.320 32.910 +ATOM 1153 1HB ALA 73 45.811 50.350 32.297 +ATOM 1154 2HB ALA 73 44.249 51.138 32.624 +ATOM 1155 3HB ALA 73 45.183 50.423 33.960 +ATOM 1156 C ALA 73 43.760 48.840 31.250 +ATOM 1157 O ALA 73 42.610 48.810 30.940 +ATOM 1158 N ALA 74 44.750 48.820 30.340 +ATOM 1159 H ALA 74 45.664 48.938 30.753 +ATOM 1160 CA ALA 74 44.650 48.750 28.870 +ATOM 1161 HA ALA 74 44.115 49.658 28.591 +ATOM 1162 CB ALA 74 46.100 48.800 28.230 +ATOM 1163 1HB ALA 74 46.645 47.893 28.493 +ATOM 1164 2HB ALA 74 46.017 48.872 27.146 +ATOM 1165 3HB ALA 74 46.636 49.669 28.611 +ATOM 1166 C ALA 74 43.880 47.560 28.300 +ATOM 1167 O ALA 74 42.920 47.690 27.500 +ATOM 1168 N VAL 75 44.270 46.370 28.720 +ATOM 1169 H VAL 75 45.087 46.384 29.314 +ATOM 1170 CA VAL 75 43.620 45.030 28.420 +ATOM 1171 HA VAL 75 43.519 44.756 27.370 +ATOM 1172 CB VAL 75 44.240 43.860 29.170 +ATOM 1173 HB VAL 75 44.466 44.269 30.155 +ATOM 1174 CG1 VAL 75 43.450 42.530 29.330 +ATOM 1175 1HG1 VAL 75 43.224 42.120 28.346 +ATOM 1176 2HG1 VAL 75 44.051 41.815 29.891 +ATOM 1177 3HG1 VAL 75 42.520 42.721 29.865 +ATOM 1178 CG2 VAL 75 45.720 43.540 28.710 +ATOM 1179 1HG2 VAL 75 46.351 44.412 28.881 +ATOM 1180 2HG2 VAL 75 46.105 42.696 29.283 +ATOM 1181 3HG2 VAL 75 45.725 43.291 27.649 +ATOM 1182 C VAL 75 42.150 45.060 28.820 +ATOM 1183 O VAL 75 41.270 44.740 28.060 +ATOM 1184 N ARG 76 41.830 45.580 30.050 +ATOM 1185 H ARG 76 42.571 45.785 30.705 +ATOM 1186 CA ARG 76 40.400 45.750 30.510 +ATOM 1187 HA ARG 76 39.896 44.787 30.432 +ATOM 1188 CB ARG 76 40.280 46.270 32.020 +ATOM 1189 2HB ARG 76 41.080 46.988 32.199 +ATOM 1190 3HB ARG 76 39.316 46.765 32.136 +ATOM 1191 CG ARG 76 40.390 45.110 33.040 +ATOM 1192 2HG ARG 76 39.602 44.388 32.826 +ATOM 1193 3HG ARG 76 41.362 44.633 32.915 +ATOM 1194 CD ARG 76 40.250 45.600 34.460 +ATOM 1195 2HD ARG 76 39.329 46.178 34.532 +ATOM 1196 3HD ARG 76 40.186 44.732 35.116 +ATOM 1197 NE ARG 76 41.340 46.420 34.890 +ATOM 1198 HE ARG 76 42.241 46.082 34.583 +ATOM 1199 CZ ARG 76 41.280 47.600 35.510 +ATOM 1200 NH1 ARG 76 40.200 48.090 36.000 +ATOM 1201 1HH1 ARG 76 39.335 47.574 35.925 +ATOM 1202 2HH1 ARG 76 40.220 48.990 36.458 +ATOM 1203 NH2 ARG 76 42.340 48.210 35.750 +ATOM 1204 1HH2 ARG 76 43.224 47.807 35.475 +ATOM 1205 2HH2 ARG 76 42.309 49.104 36.219 +ATOM 1206 C ARG 76 39.650 46.700 29.490 +ATOM 1207 O ARG 76 38.530 46.450 29.230 +ATOM 1208 N GLY 77 40.390 47.730 28.890 +ATOM 1209 H GLY 77 41.293 47.948 29.286 +ATOM 1210 CA GLY 77 39.930 48.510 27.720 +ATOM 1211 2HA GLY 77 39.199 49.230 28.089 +ATOM 1212 3HA GLY 77 40.800 49.042 27.334 +ATOM 1213 C GLY 77 39.280 47.670 26.550 +ATOM 1214 O GLY 77 38.200 47.890 26.010 +ATOM 1215 N ILE 78 40.090 46.730 26.190 +ATOM 1216 H ILE 78 41.062 46.802 26.456 +ATOM 1217 CA ILE 78 39.710 45.710 25.170 +ATOM 1218 HA ILE 78 39.138 46.190 24.376 +ATOM 1219 CB ILE 78 40.910 44.970 24.560 +ATOM 1220 HB ILE 78 41.366 44.384 25.358 +ATOM 1221 CG2 ILE 78 40.540 44.030 23.370 +ATOM 1222 1HG2 ILE 78 40.085 44.616 22.571 +ATOM 1223 2HG2 ILE 78 41.441 43.545 22.995 +ATOM 1224 3HG2 ILE 78 39.835 43.272 23.711 +ATOM 1225 CG1 ILE 78 41.990 45.990 24.070 +ATOM 1226 2HG1 ILE 78 41.584 46.601 23.264 +ATOM 1227 3HG1 ILE 78 42.293 46.634 24.896 +ATOM 1228 CD1 ILE 78 43.270 45.170 23.530 +ATOM 1229 1HD1 ILE 78 42.968 44.526 22.704 +ATOM 1230 2HD1 ILE 78 44.031 45.870 23.185 +ATOM 1231 3HD1 ILE 78 43.677 44.559 24.336 +ATOM 1232 C ILE 78 38.580 44.840 25.660 +ATOM 1233 O ILE 78 37.610 44.650 24.930 +ATOM 1234 N LEU 79 38.710 44.190 26.780 +ATOM 1235 H LEU 79 39.578 44.251 27.292 +ATOM 1236 CA LEU 79 37.660 43.320 27.300 +ATOM 1237 HA LEU 79 37.409 42.496 26.633 +ATOM 1238 CB LEU 79 38.290 42.750 28.560 +ATOM 1239 2HB LEU 79 38.567 43.685 29.047 +ATOM 1240 3HB LEU 79 37.501 42.262 29.132 +ATOM 1241 CG LEU 79 39.500 41.840 28.490 +ATOM 1242 HG LEU 79 40.312 42.420 28.051 +ATOM 1243 CD1 LEU 79 39.940 41.290 29.830 +ATOM 1244 1HD1 LEU 79 39.129 40.710 30.269 +ATOM 1245 2HD1 LEU 79 40.811 40.649 29.692 +ATOM 1246 3HD1 LEU 79 40.198 42.114 30.495 +ATOM 1247 CD2 LEU 79 39.250 40.710 27.470 +ATOM 1248 1HD2 LEU 79 39.068 41.142 26.486 +ATOM 1249 2HD2 LEU 79 40.124 40.060 27.425 +ATOM 1250 3HD2 LEU 79 38.381 40.128 27.777 +ATOM 1251 C LEU 79 36.310 43.990 27.580 +ATOM 1252 O LEU 79 35.240 43.540 27.130 +ATOM 1253 N ARG 80 36.340 45.190 28.190 +ATOM 1254 H ARG 80 37.138 45.458 28.748 +ATOM 1255 CA ARG 80 35.150 46.090 28.180 +ATOM 1256 HA ARG 80 34.318 45.603 28.688 +ATOM 1257 CB ARG 80 35.460 47.410 28.900 +ATOM 1258 2HB ARG 80 36.413 47.799 28.541 +ATOM 1259 3HB ARG 80 34.670 48.130 28.685 +ATOM 1260 CG ARG 80 35.540 47.180 30.400 +ATOM 1261 2HG ARG 80 34.658 46.600 30.671 +ATOM 1262 3HG ARG 80 36.435 46.583 30.574 +ATOM 1263 CD ARG 80 35.600 48.470 31.270 +ATOM 1264 2HD ARG 80 34.669 49.012 31.103 +ATOM 1265 3HD ARG 80 35.653 48.152 32.311 +ATOM 1266 NE ARG 80 36.710 49.360 31.000 +ATOM 1267 HE ARG 80 37.427 49.269 31.705 +ATOM 1268 CZ ARG 80 36.920 50.170 30.000 +ATOM 1269 NH1 ARG 80 36.040 50.550 29.160 +ATOM 1270 1HH1 ARG 80 35.090 50.217 29.243 +ATOM 1271 2HH1 ARG 80 36.297 51.182 28.415 +ATOM 1272 NH2 ARG 80 38.050 50.700 29.830 +ATOM 1273 1HH2 ARG 80 38.802 50.497 30.473 +ATOM 1274 2HH2 ARG 80 38.199 51.326 29.051 +ATOM 1275 C ARG 80 34.580 46.330 26.750 +ATOM 1276 O ARG 80 33.370 46.010 26.460 +ATOM 1277 N ASN 81 35.270 47.000 25.850 +ATOM 1278 H ASN 81 36.204 47.244 26.148 +ATOM 1279 CA ASN 81 34.760 47.610 24.690 +ATOM 1280 HA ASN 81 33.854 48.169 24.925 +ATOM 1281 CB ASN 81 35.800 48.580 24.120 +ATOM 1282 2HB ASN 81 35.975 49.355 24.866 +ATOM 1283 3HB ASN 81 36.726 48.035 23.938 +ATOM 1284 CG ASN 81 35.360 49.250 22.810 +ATOM 1285 OD1 ASN 81 35.100 48.570 21.770 +ATOM 1286 ND2 ASN 81 35.290 50.560 22.850 +ATOM 1287 1HD2 ASN 81 35.008 51.073 22.027 +ATOM 1288 2HD2 ASN 81 35.519 51.049 23.704 +ATOM 1289 C ASN 81 34.100 46.600 23.740 +ATOM 1290 O ASN 81 34.620 45.500 23.510 +ATOM 1291 N ALA 82 32.880 46.920 23.270 +ATOM 1292 H ALA 82 32.603 47.853 23.541 +ATOM 1293 CA ALA 82 31.910 46.090 22.510 +ATOM 1294 HA ALA 82 31.882 45.053 22.843 +ATOM 1295 CB ALA 82 30.550 46.730 22.790 +ATOM 1296 1HB ALA 82 30.559 47.767 22.453 +ATOM 1297 2HB ALA 82 29.773 46.182 22.256 +ATOM 1298 3HB ALA 82 30.346 46.698 23.860 +ATOM 1299 C ALA 82 32.300 46.030 21.000 +ATOM 1300 O ALA 82 32.110 45.000 20.320 +ATOM 1301 N LYS 83 33.160 46.980 20.450 +ATOM 1302 H LYS 83 33.371 47.768 21.045 +ATOM 1303 CA LYS 83 33.700 46.970 19.110 +ATOM 1304 HA LYS 83 32.939 46.601 18.422 +ATOM 1305 CB LYS 83 34.130 48.360 18.660 +ATOM 1306 2HB LYS 83 33.399 49.056 19.071 +ATOM 1307 3HB LYS 83 35.103 48.544 19.116 +ATOM 1308 CG LYS 83 34.230 48.560 17.160 +ATOM 1309 2HG LYS 83 34.589 49.569 16.957 +ATOM 1310 3HG LYS 83 34.933 47.836 16.749 +ATOM 1311 CD LYS 83 32.820 48.360 16.490 +ATOM 1312 2HD LYS 83 32.136 47.851 17.169 +ATOM 1313 3HD LYS 83 32.391 49.317 16.193 +ATOM 1314 CE LYS 83 33.040 47.510 15.270 +ATOM 1315 2HE LYS 83 33.856 47.939 14.688 +ATOM 1316 3HE LYS 83 33.312 46.504 15.590 +ATOM 1317 NZ LYS 83 31.840 47.450 14.450 +ATOM 1318 1HZ LYS 83 31.588 48.382 14.153 +ATOM 1319 2HZ LYS 83 32.015 46.874 13.639 +ATOM 1320 3HZ LYS 83 31.084 47.052 14.989 +ATOM 1321 C LYS 83 34.870 45.940 19.140 +ATOM 1322 O LYS 83 34.940 45.100 18.250 +ATOM 1323 N LEU 84 35.710 46.160 20.160 +ATOM 1324 H LEU 84 35.413 46.768 20.910 +ATOM 1325 CA LEU 84 37.100 45.540 20.240 +ATOM 1326 HA LEU 84 37.610 45.583 19.277 +ATOM 1327 CB LEU 84 37.900 46.350 21.250 +ATOM 1328 2HB LEU 84 37.341 46.342 22.186 +ATOM 1329 3HB LEU 84 38.801 45.747 21.361 +ATOM 1330 CG LEU 84 38.290 47.790 20.900 +ATOM 1331 HG LEU 84 37.387 48.351 20.660 +ATOM 1332 CD1 LEU 84 39.030 48.480 22.110 +ATOM 1333 1HD1 LEU 84 39.934 47.920 22.351 +ATOM 1334 2HD1 LEU 84 39.297 49.501 21.838 +ATOM 1335 3HD1 LEU 84 38.371 48.496 22.978 +ATOM 1336 CD2 LEU 84 39.280 47.620 19.750 +ATOM 1337 1HD2 LEU 84 38.790 47.109 18.921 +ATOM 1338 2HD2 LEU 84 39.626 48.600 19.420 +ATOM 1339 3HD2 LEU 84 40.132 47.030 20.087 +ATOM 1340 C LEU 84 37.060 44.040 20.690 +ATOM 1341 O LEU 84 37.640 43.230 20.000 +ATOM 1342 N LYS 85 36.360 43.670 21.720 +ATOM 1343 H LYS 85 35.927 44.393 22.277 +ATOM 1344 CA LYS 85 36.320 42.340 22.200 +ATOM 1345 HA LYS 85 37.316 42.014 22.500 +ATOM 1346 CB LYS 85 35.400 42.270 23.410 +ATOM 1347 2HB LYS 85 35.649 43.173 23.967 +ATOM 1348 3HB LYS 85 34.406 42.374 22.976 +ATOM 1349 CG LYS 85 35.420 41.060 24.360 +ATOM 1350 2HG LYS 85 36.473 40.938 24.612 +ATOM 1351 3HG LYS 85 34.874 41.403 25.239 +ATOM 1352 CD LYS 85 34.840 39.700 23.890 +ATOM 1353 2HD LYS 85 33.864 39.807 23.417 +ATOM 1354 3HD LYS 85 35.514 39.173 23.215 +ATOM 1355 CE LYS 85 34.690 38.890 25.210 +ATOM 1356 2HE LYS 85 35.655 38.940 25.715 +ATOM 1357 3HE LYS 85 33.940 39.409 25.807 +ATOM 1358 NZ LYS 85 34.310 37.530 25.050 +ATOM 1359 1HZ LYS 85 35.005 37.049 24.497 +ATOM 1360 2HZ LYS 85 34.239 37.091 25.957 +ATOM 1361 3HZ LYS 85 33.416 37.483 24.582 +ATOM 1362 C LYS 85 36.010 41.200 21.180 +ATOM 1363 O LYS 85 36.660 40.180 21.270 +ATOM 1364 N PRO 86 34.990 41.200 20.340 +ATOM 1365 CD PRO 86 34.100 42.340 20.050 +ATOM 1366 2HD PRO 86 34.513 42.955 19.251 +ATOM 1367 3HD PRO 86 33.958 42.951 20.941 +ATOM 1368 CG PRO 86 32.850 41.630 19.640 +ATOM 1369 2HG PRO 86 32.226 42.300 19.049 +ATOM 1370 3HG PRO 86 32.302 41.312 20.527 +ATOM 1371 CB PRO 86 33.300 40.440 18.830 +ATOM 1372 2HB PRO 86 33.473 40.800 17.816 +ATOM 1373 3HB PRO 86 32.614 39.593 18.803 +ATOM 1374 CA PRO 86 34.680 40.000 19.490 +ATOM 1375 HA PRO 86 34.612 39.120 20.130 +ATOM 1376 C PRO 86 35.760 39.790 18.460 +ATOM 1377 O PRO 86 36.040 38.650 18.110 +ATOM 1378 N VAL 87 36.360 40.880 17.960 +ATOM 1379 H VAL 87 35.846 41.747 17.892 +ATOM 1380 CA VAL 87 37.650 40.780 17.270 +ATOM 1381 HA VAL 87 37.692 39.929 16.591 +ATOM 1382 CB VAL 87 38.110 42.040 16.510 +ATOM 1383 HB VAL 87 38.465 42.772 17.236 +ATOM 1384 CG1 VAL 87 39.290 41.700 15.470 +ATOM 1385 1HG1 VAL 87 38.935 40.969 14.744 +ATOM 1386 2HG1 VAL 87 39.591 42.610 14.951 +ATOM 1387 3HG1 VAL 87 40.144 41.291 16.010 +ATOM 1388 CG2 VAL 87 36.990 42.850 15.810 +ATOM 1389 1HG2 VAL 87 36.268 43.189 16.553 +ATOM 1390 2HG2 VAL 87 37.425 43.713 15.307 +ATOM 1391 3HG2 VAL 87 36.488 42.218 15.077 +ATOM 1392 C VAL 87 38.740 40.210 18.110 +ATOM 1393 O VAL 87 39.340 39.250 17.700 +ATOM 1394 N TYR 88 39.030 40.730 19.310 +ATOM 1395 H TYR 88 38.608 41.621 19.528 +ATOM 1396 CA TYR 88 40.080 40.220 20.200 +ATOM 1397 HA TYR 88 41.036 40.221 19.677 +ATOM 1398 CB TYR 88 40.200 41.060 21.400 +ATOM 1399 2HB TYR 88 40.557 41.994 20.967 +ATOM 1400 3HB TYR 88 39.172 41.187 21.740 +ATOM 1401 CG TYR 88 41.080 40.680 22.580 +ATOM 1402 CD1 TYR 88 42.450 41.110 22.550 +ATOM 1403 HD1 TYR 88 42.922 41.628 21.715 +ATOM 1404 CE1 TYR 88 43.190 40.820 23.700 +ATOM 1405 HE1 TYR 88 44.204 41.219 23.720 +ATOM 1406 CZ TYR 88 42.640 40.170 24.880 +ATOM 1407 OH TYR 88 43.430 39.950 25.930 +ATOM 1408 HH TYR 88 44.329 40.259 25.794 +ATOM 1409 CE2 TYR 88 41.300 39.650 24.790 +ATOM 1410 HE2 TYR 88 40.857 39.076 25.604 +ATOM 1411 CD2 TYR 88 40.580 39.890 23.650 +ATOM 1412 HD2 TYR 88 39.581 39.468 23.537 +ATOM 1413 C TYR 88 39.960 38.710 20.450 +ATOM 1414 O TYR 88 40.980 37.980 20.450 +ATOM 1415 N ASP 89 38.740 38.230 20.680 +ATOM 1416 H ASP 89 38.058 38.949 20.873 +ATOM 1417 CA ASP 89 38.320 36.810 20.800 +ATOM 1418 HA ASP 89 38.889 36.339 21.601 +ATOM 1419 CB ASP 89 36.800 36.670 21.120 +ATOM 1420 2HB ASP 89 36.795 37.332 21.986 +ATOM 1421 3HB ASP 89 36.227 37.125 20.312 +ATOM 1422 CG ASP 89 36.170 35.330 21.500 +ATOM 1423 OD1 ASP 89 36.850 34.440 22.070 +ATOM 1424 OD2 ASP 89 35.010 35.060 21.090 +ATOM 1425 C ASP 89 38.690 35.960 19.590 +ATOM 1426 O ASP 89 39.260 34.870 19.720 +ATOM 1427 N SER 90 38.520 36.500 18.380 +ATOM 1428 H SER 90 38.193 37.455 18.406 +ATOM 1429 CA SER 90 38.770 35.870 17.040 +ATOM 1430 HA SER 90 38.246 34.915 17.017 +ATOM 1431 CB SER 90 38.300 36.720 15.840 +ATOM 1432 2HB SER 90 38.257 35.981 15.040 +ATOM 1433 3HB SER 90 37.287 36.993 16.137 +ATOM 1434 OG SER 90 38.970 37.850 15.390 +ATOM 1435 HG SER 90 38.504 38.220 14.637 +ATOM 1436 C SER 90 40.240 35.610 16.750 +ATOM 1437 O SER 90 40.510 34.490 16.430 +ATOM 1438 N LEU 91 41.100 36.610 17.100 +ATOM 1439 H LEU 91 40.607 37.405 17.480 +ATOM 1440 CA LEU 91 42.570 36.710 16.930 +ATOM 1441 HA LEU 91 42.856 36.461 15.908 +ATOM 1442 CB LEU 91 43.000 38.130 17.220 +ATOM 1443 2HB LEU 91 42.685 38.409 18.225 +ATOM 1444 3HB LEU 91 44.089 38.108 17.174 +ATOM 1445 CG LEU 91 42.480 39.130 16.240 +ATOM 1446 HG LEU 91 41.391 39.103 16.193 +ATOM 1447 CD1 LEU 91 42.940 40.520 16.750 +ATOM 1448 1HD1 LEU 91 44.029 40.548 16.797 +ATOM 1449 2HD1 LEU 91 42.586 41.293 16.068 +ATOM 1450 3HD1 LEU 91 42.529 40.697 17.744 +ATOM 1451 CD2 LEU 91 43.000 39.040 14.820 +ATOM 1452 1HD2 LEU 91 42.750 38.065 14.402 +ATOM 1453 2HD2 LEU 91 42.542 39.823 14.215 +ATOM 1454 3HD2 LEU 91 44.082 39.168 14.820 +ATOM 1455 C LEU 91 43.390 35.720 17.780 +ATOM 1456 O LEU 91 43.130 35.550 19.000 +ATOM 1457 N ASP 92 44.370 35.040 17.110 +ATOM 1458 H ASP 92 44.433 35.025 16.102 +ATOM 1459 CA ASP 92 45.340 34.250 17.880 +ATOM 1460 HA ASP 92 44.814 33.556 18.536 +ATOM 1461 CB ASP 92 46.260 33.430 16.920 +ATOM 1462 2HB ASP 92 46.964 32.979 17.619 +ATOM 1463 3HB ASP 92 45.716 32.645 16.395 +ATOM 1464 CG ASP 92 47.030 34.290 15.900 +ATOM 1465 OD1 ASP 92 46.440 34.670 14.900 +ATOM 1466 OD2 ASP 92 48.260 34.410 16.140 +ATOM 1467 C ASP 92 46.220 35.110 18.810 +ATOM 1468 O ASP 92 46.440 36.260 18.570 +ATOM 1469 N ALA 93 46.810 34.590 19.880 +ATOM 1470 H ALA 93 46.839 33.582 19.941 +ATOM 1471 CA ALA 93 47.420 35.380 20.980 +ATOM 1472 HA ALA 93 46.630 35.905 21.517 +ATOM 1473 CB ALA 93 48.100 34.410 21.940 +ATOM 1474 1HB ALA 93 48.900 33.883 21.419 +ATOM 1475 2HB ALA 93 48.518 34.963 22.781 +ATOM 1476 3HB ALA 93 47.369 33.689 22.307 +ATOM 1477 C ALA 93 48.470 36.400 20.530 +ATOM 1478 O ALA 93 48.560 37.450 21.110 +ATOM 1479 N VAL 94 49.390 36.060 19.700 +ATOM 1480 H VAL 94 49.405 35.065 19.528 +ATOM 1481 CA VAL 94 50.460 36.840 19.210 +ATOM 1482 HA VAL 94 50.880 37.179 20.157 +ATOM 1483 CB VAL 94 51.520 36.070 18.460 +ATOM 1484 HB VAL 94 51.139 35.708 17.505 +ATOM 1485 CG1 VAL 94 52.680 37.060 18.210 +ATOM 1486 1HG1 VAL 94 53.062 37.422 19.165 +ATOM 1487 2HG1 VAL 94 53.479 36.555 17.668 +ATOM 1488 3HG1 VAL 94 52.318 37.903 17.621 +ATOM 1489 CG2 VAL 94 52.200 35.010 19.390 +ATOM 1490 1HG2 VAL 94 51.448 34.309 19.753 +ATOM 1491 2HG2 VAL 94 52.960 34.467 18.828 +ATOM 1492 3HG2 VAL 94 52.666 35.514 20.237 +ATOM 1493 C VAL 94 49.900 38.100 18.470 +ATOM 1494 O VAL 94 50.330 39.270 18.730 +ATOM 1495 N ARG 95 48.760 37.990 17.690 +ATOM 1496 H ARG 95 48.351 37.080 17.531 +ATOM 1497 CA ARG 95 48.060 39.180 17.150 +ATOM 1498 HA ARG 95 48.777 39.909 16.771 +ATOM 1499 CB ARG 95 47.120 38.720 15.950 +ATOM 1500 2HB ARG 95 46.387 38.054 16.405 +ATOM 1501 3HB ARG 95 46.624 39.631 15.615 +ATOM 1502 CG ARG 95 47.780 38.010 14.730 +ATOM 1503 2HG ARG 95 48.721 38.541 14.590 +ATOM 1504 3HG ARG 95 47.983 37.000 15.087 +ATOM 1505 CD ARG 95 47.050 37.940 13.430 +ATOM 1506 2HD ARG 95 46.206 37.271 13.594 +ATOM 1507 3HD ARG 95 46.682 38.948 13.237 +ATOM 1508 NE ARG 95 47.790 37.480 12.260 +ATOM 1509 HE ARG 95 48.275 38.222 11.775 +ATOM 1510 CZ ARG 95 47.900 36.230 11.790 +ATOM 1511 NH1 ARG 95 47.500 35.200 12.450 +ATOM 1512 1HH1 ARG 95 47.083 35.319 13.362 +ATOM 1513 2HH1 ARG 95 47.605 34.277 12.053 +ATOM 1514 NH2 ARG 95 48.390 35.950 10.660 +ATOM 1515 1HH2 ARG 95 48.724 36.691 10.060 +ATOM 1516 2HH2 ARG 95 48.446 34.987 10.362 +ATOM 1517 C ARG 95 47.100 39.830 18.180 +ATOM 1518 O ARG 95 46.940 41.060 18.180 +ATOM 1519 N ARG 96 46.610 39.130 19.230 +ATOM 1520 H ARG 96 46.337 38.161 19.145 +ATOM 1521 CA ARG 96 46.220 39.880 20.490 +ATOM 1522 HA ARG 96 45.393 40.550 20.256 +ATOM 1523 CB ARG 96 45.780 38.930 21.640 +ATOM 1524 2HB ARG 96 46.639 38.329 21.938 +ATOM 1525 3HB ARG 96 45.453 39.538 22.483 +ATOM 1526 CG ARG 96 44.630 38.000 21.200 +ATOM 1527 2HG ARG 96 43.866 38.628 20.742 +ATOM 1528 3HG ARG 96 45.035 37.319 20.452 +ATOM 1529 CD ARG 96 44.000 37.180 22.360 +ATOM 1530 2HD ARG 96 44.724 36.467 22.754 +ATOM 1531 3HD ARG 96 43.676 37.847 23.159 +ATOM 1532 NE ARG 96 42.850 36.450 21.870 +ATOM 1533 HE ARG 96 42.791 36.402 20.863 +ATOM 1534 CZ ARG 96 42.000 35.800 22.560 +ATOM 1535 NH1 ARG 96 42.110 35.680 23.860 +ATOM 1536 1HH1 ARG 96 42.887 36.111 24.340 +ATOM 1537 2HH1 ARG 96 41.417 35.157 24.376 +ATOM 1538 NH2 ARG 96 40.900 35.280 22.150 +ATOM 1539 1HH2 ARG 96 40.634 35.369 21.180 +ATOM 1540 2HH2 ARG 96 40.306 34.785 22.800 +ATOM 1541 C ARG 96 47.200 40.950 20.980 +ATOM 1542 O ARG 96 46.860 42.100 21.120 +ATOM 1543 N ALA 97 48.420 40.490 21.330 +ATOM 1544 H ALA 97 48.605 39.500 21.408 +ATOM 1545 CA ALA 97 49.500 41.460 21.770 +ATOM 1546 HA ALA 97 49.205 41.881 22.731 +ATOM 1547 CB ALA 97 50.740 40.710 21.950 +ATOM 1548 1HB ALA 97 51.053 40.290 20.994 +ATOM 1549 2HB ALA 97 51.517 41.376 22.326 +ATOM 1550 3HB ALA 97 50.577 39.903 22.665 +ATOM 1551 C ALA 97 49.620 42.690 20.790 +ATOM 1552 O ALA 97 49.870 43.770 21.300 +ATOM 1553 N ALA 98 49.600 42.450 19.450 +ATOM 1554 H ALA 98 49.759 41.484 19.202 +ATOM 1555 CA ALA 98 49.550 43.440 18.380 +ATOM 1556 HA ALA 98 50.500 43.968 18.456 +ATOM 1557 CB ALA 98 49.410 42.900 16.980 +ATOM 1558 1HB ALA 98 48.459 42.376 16.886 +ATOM 1559 2HB ALA 98 49.443 43.724 16.267 +ATOM 1560 3HB ALA 98 50.227 42.209 16.773 +ATOM 1561 C ALA 98 48.470 44.470 18.770 +ATOM 1562 O ALA 98 48.770 45.600 18.880 +ATOM 1563 N ALA 99 47.200 44.080 18.950 +ATOM 1564 H ALA 99 47.043 43.160 18.565 +ATOM 1565 CA ALA 99 46.070 44.820 19.420 +ATOM 1566 HA ALA 99 45.974 45.560 18.626 +ATOM 1567 CB ALA 99 44.760 43.940 19.450 +ATOM 1568 1HB ALA 99 44.837 43.200 20.246 +ATOM 1569 2HB ALA 99 43.896 44.579 19.632 +ATOM 1570 3HB ALA 99 44.641 43.432 18.493 +ATOM 1571 C ALA 99 46.260 45.630 20.800 +ATOM 1572 O ALA 99 45.850 46.780 20.890 +ATOM 1573 N ILE 100 46.790 44.960 21.820 +ATOM 1574 H ILE 100 47.016 43.988 21.663 +ATOM 1575 CA ILE 100 47.030 45.540 23.200 +ATOM 1576 HA ILE 100 46.132 46.021 23.588 +ATOM 1577 CB ILE 100 47.510 44.410 24.220 +ATOM 1578 HB ILE 100 48.341 43.886 23.749 +ATOM 1579 CG2 ILE 100 47.940 44.930 25.550 +ATOM 1580 1HG2 ILE 100 47.109 45.454 26.022 +ATOM 1581 2HG2 ILE 100 48.251 44.099 26.183 +ATOM 1582 3HG2 ILE 100 48.775 45.618 25.419 +ATOM 1583 CG1 ILE 100 46.330 43.460 24.330 +ATOM 1584 2HG1 ILE 100 45.621 43.861 25.054 +ATOM 1585 3HG1 ILE 100 45.848 43.382 23.356 +ATOM 1586 CD1 ILE 100 46.800 42.050 24.790 +ATOM 1587 1HD1 ILE 100 47.282 42.127 25.765 +ATOM 1588 2HD1 ILE 100 45.939 41.385 24.862 +ATOM 1589 3HD1 ILE 100 47.509 41.648 24.066 +ATOM 1590 C ILE 100 48.090 46.650 22.990 +ATOM 1591 O ILE 100 47.850 47.680 23.530 +ATOM 1592 N ASN 101 49.110 46.420 22.170 +ATOM 1593 H ASN 101 49.182 45.513 21.731 +ATOM 1594 CA ASN 101 50.170 47.380 21.940 +ATOM 1595 HA ASN 101 50.678 47.653 22.865 +ATOM 1596 CB ASN 101 51.180 46.690 21.010 +ATOM 1597 2HB ASN 101 51.328 45.689 21.416 +ATOM 1598 3HB ASN 101 50.882 46.616 19.964 +ATOM 1599 CG ASN 101 52.520 47.460 21.090 +ATOM 1600 OD1 ASN 101 52.570 48.690 20.920 +ATOM 1601 ND2 ASN 101 53.670 46.820 21.230 +ATOM 1602 1HD2 ASN 101 54.533 47.343 21.280 +ATOM 1603 2HD2 ASN 101 53.680 45.812 21.286 +ATOM 1604 C ASN 101 49.580 48.640 21.390 +ATOM 1605 O ASN 101 49.860 49.690 21.900 +ATOM 1606 N MET 102 48.700 48.630 20.360 +ATOM 1607 H MET 102 48.744 47.836 19.738 +ATOM 1608 CA MET 102 47.890 49.780 19.960 +ATOM 1609 HA MET 102 48.532 50.602 19.645 +ATOM 1610 CB MET 102 47.010 49.400 18.820 +ATOM 1611 2HB MET 102 46.305 48.658 19.196 +ATOM 1612 3HB MET 102 46.468 50.298 18.524 +ATOM 1613 CG MET 102 47.740 48.840 17.630 +ATOM 1614 2HG MET 102 48.545 49.540 17.404 +ATOM 1615 3HG MET 102 48.165 47.888 17.948 +ATOM 1616 SD MET 102 46.750 48.580 16.150 +ATOM 1617 CE MET 102 46.210 50.210 15.620 +ATOM 1618 1HE MET 102 47.081 50.830 15.406 +ATOM 1619 2HE MET 102 45.601 50.117 14.721 +ATOM 1620 3HE MET 102 45.620 50.673 16.411 +ATOM 1621 C MET 102 47.190 50.520 21.130 +ATOM 1622 O MET 102 47.400 51.690 21.400 +ATOM 1623 N VAL 103 46.360 49.810 21.870 +ATOM 1624 H VAL 103 46.131 48.873 21.570 +ATOM 1625 CA VAL 103 45.620 50.380 23.020 +ATOM 1626 HA VAL 103 45.029 51.168 22.555 +ATOM 1627 CB VAL 103 44.650 49.370 23.710 +ATOM 1628 HB VAL 103 45.290 48.617 24.168 +ATOM 1629 CG1 VAL 103 43.710 49.920 24.740 +ATOM 1630 1HG1 VAL 103 43.069 50.673 24.282 +ATOM 1631 2HG1 VAL 103 43.095 49.113 25.139 +ATOM 1632 3HG1 VAL 103 44.282 50.374 25.549 +ATOM 1633 CG2 VAL 103 43.720 48.930 22.590 +ATOM 1634 1HG2 VAL 103 44.302 48.463 21.796 +ATOM 1635 2HG2 VAL 103 42.996 48.214 22.978 +ATOM 1636 3HG2 VAL 103 43.194 49.798 22.192 +ATOM 1637 C VAL 103 46.480 51.060 24.070 +ATOM 1638 O VAL 103 46.100 52.090 24.620 +ATOM 1639 N PHE 104 47.610 50.450 24.460 +ATOM 1640 H PHE 104 47.675 49.464 24.250 +ATOM 1641 CA PHE 104 48.660 51.060 25.330 +ATOM 1642 HA PHE 104 48.274 51.245 26.332 +ATOM 1643 CB PHE 104 49.830 50.080 25.430 +ATOM 1644 2HB PHE 104 49.489 49.045 25.455 +ATOM 1645 3HB PHE 104 50.455 50.235 24.551 +ATOM 1646 CG PHE 104 50.720 50.270 26.630 +ATOM 1647 CD1 PHE 104 51.810 51.220 26.590 +ATOM 1648 HD1 PHE 104 51.995 51.784 25.676 +ATOM 1649 CE1 PHE 104 52.630 51.420 27.720 +ATOM 1650 HE1 PHE 104 53.545 52.011 27.689 +ATOM 1651 CZ PHE 104 52.230 50.830 28.900 +ATOM 1652 HZ PHE 104 52.743 51.201 29.787 +ATOM 1653 CE2 PHE 104 51.260 49.840 29.020 +ATOM 1654 HE2 PHE 104 51.073 49.279 29.935 +ATOM 1655 CD2 PHE 104 50.500 49.580 27.870 +ATOM 1656 HD2 PHE 104 49.709 48.831 27.897 +ATOM 1657 C PHE 104 49.020 52.460 24.920 +ATOM 1658 O PHE 104 49.130 53.370 25.770 +ATOM 1659 N GLN 105 49.040 52.640 23.610 +ATOM 1660 H GLN 105 48.665 51.890 23.047 +ATOM 1661 CA GLN 105 49.530 53.840 22.930 +ATOM 1662 HA GLN 105 50.379 54.211 23.504 +ATOM 1663 CB GLN 105 49.980 53.640 21.440 +ATOM 1664 2HB GLN 105 50.545 52.709 21.390 +ATOM 1665 3HB GLN 105 49.078 53.550 20.834 +ATOM 1666 CG GLN 105 50.850 54.800 20.900 +ATOM 1667 2HG GLN 105 50.188 55.660 21.007 +ATOM 1668 3HG GLN 105 51.719 54.928 21.546 +ATOM 1669 CD GLN 105 51.310 54.730 19.500 +ATOM 1670 OE1 GLN 105 51.730 53.670 19.030 +ATOM 1671 NE2 GLN 105 51.350 55.810 18.800 +ATOM 1672 1HE2 GLN 105 51.663 55.775 17.840 +ATOM 1673 2HE2 GLN 105 51.068 56.687 19.214 +ATOM 1674 C GLN 105 48.390 54.870 22.890 +ATOM 1675 O GLN 105 48.690 56.040 23.100 +ATOM 1676 N MET 106 47.160 54.600 22.540 +ATOM 1677 H MET 106 46.872 53.638 22.431 +ATOM 1678 CA MET 106 46.200 55.660 22.190 +ATOM 1679 HA MET 106 46.506 56.616 22.616 +ATOM 1680 CB MET 106 46.160 55.800 20.590 +ATOM 1681 2HB MET 106 45.677 56.744 20.337 +ATOM 1682 3HB MET 106 47.184 55.805 20.217 +ATOM 1683 CG MET 106 45.380 54.630 19.940 +ATOM 1684 2HG MET 106 45.721 53.683 20.358 +ATOM 1685 3HG MET 106 44.313 54.747 20.131 +ATOM 1686 SD MET 106 45.660 54.630 18.200 +ATOM 1687 CE MET 106 47.170 53.610 17.990 +ATOM 1688 1HE MET 106 46.988 52.607 18.375 +ATOM 1689 2HE MET 106 47.425 53.551 16.932 +ATOM 1690 3HE MET 106 47.995 54.065 18.538 +ATOM 1691 C MET 106 44.880 55.350 22.810 +ATOM 1692 O MET 106 43.960 56.090 22.400 +ATOM 1693 N GLY 107 44.690 54.300 23.520 +ATOM 1694 H GLY 107 45.460 53.669 23.691 +ATOM 1695 CA GLY 107 43.360 53.970 24.110 +ATOM 1696 2HA GLY 107 43.600 53.357 24.979 +ATOM 1697 3HA GLY 107 42.971 54.933 24.442 +ATOM 1698 C GLY 107 42.290 53.260 23.280 +ATOM 1699 O GLY 107 42.340 53.360 22.070 +ATOM 1700 N GLU 108 41.300 52.670 23.960 +ATOM 1701 H GLU 108 41.362 52.776 24.963 +ATOM 1702 CA GLU 108 40.210 51.840 23.410 +ATOM 1703 HA GLU 108 40.573 50.934 22.925 +ATOM 1704 CB GLU 108 39.380 51.440 24.640 +ATOM 1705 2HB GLU 108 38.551 50.843 24.259 +ATOM 1706 3HB GLU 108 40.031 50.811 25.248 +ATOM 1707 CG GLU 108 38.830 52.590 25.500 +ATOM 1708 2HG GLU 108 39.640 53.314 25.586 +ATOM 1709 3HG GLU 108 38.005 53.033 24.942 +ATOM 1710 CD GLU 108 38.350 52.200 26.890 +ATOM 1711 OE1 GLU 108 39.150 52.310 27.830 +ATOM 1712 OE2 GLU 108 37.160 51.780 26.970 +ATOM 1713 C GLU 108 39.400 52.610 22.300 +ATOM 1714 O GLU 108 39.220 52.080 21.170 +ATOM 1715 N THR 109 39.000 53.840 22.560 +ATOM 1716 H THR 109 39.244 54.273 23.439 +ATOM 1717 CA THR 109 38.200 54.590 21.630 +ATOM 1718 HA THR 109 37.333 53.971 21.398 +ATOM 1719 CB THR 109 37.700 55.960 22.190 +ATOM 1720 HB THR 109 38.465 56.715 22.006 +ATOM 1721 CG2 THR 109 36.370 56.390 21.500 +ATOM 1722 1HG2 THR 109 35.605 55.636 21.684 +ATOM 1723 2HG2 THR 109 36.042 57.347 21.907 +ATOM 1724 3HG2 THR 109 36.532 56.488 20.427 +ATOM 1725 OG1 THR 109 37.430 55.800 23.610 +ATOM 1726 1HG THR 109 37.121 56.633 23.973 +ATOM 1727 C THR 109 38.980 54.890 20.340 +ATOM 1728 O THR 109 38.420 54.910 19.220 +ATOM 1729 N GLY 110 40.260 55.170 20.490 +ATOM 1730 H GLY 110 40.556 55.187 21.455 +ATOM 1731 CA GLY 110 41.230 55.440 19.480 +ATOM 1732 2HA GLY 110 40.892 56.279 18.871 +ATOM 1733 3HA GLY 110 42.180 55.693 19.951 +ATOM 1734 C GLY 110 41.430 54.220 18.580 +ATOM 1735 O GLY 110 41.160 54.290 17.360 +ATOM 1736 N VAL 111 41.740 53.030 19.080 +ATOM 1737 H VAL 111 42.075 53.067 20.032 +ATOM 1738 CA VAL 111 41.760 51.690 18.360 +ATOM 1739 HA VAL 111 42.390 51.773 17.474 +ATOM 1740 CB VAL 111 42.370 50.680 19.290 +ATOM 1741 HB VAL 111 41.681 50.608 20.132 +ATOM 1742 CG1 VAL 111 42.640 49.280 18.730 +ATOM 1743 1HG1 VAL 111 43.329 49.351 17.889 +ATOM 1744 2HG1 VAL 111 43.080 48.656 19.508 +ATOM 1745 3HG1 VAL 111 41.703 48.835 18.395 +ATOM 1746 CG2 VAL 111 43.820 51.180 19.750 +ATOM 1747 1HG2 VAL 111 43.729 52.137 20.264 +ATOM 1748 2HG2 VAL 111 44.261 50.446 20.425 +ATOM 1749 3HG2 VAL 111 44.459 51.298 18.875 +ATOM 1750 C VAL 111 40.400 51.190 17.790 +ATOM 1751 O VAL 111 40.360 50.660 16.650 +ATOM 1752 N ALA 112 39.300 51.240 18.550 +ATOM 1753 H ALA 112 39.363 51.488 19.527 +ATOM 1754 CA ALA 112 37.930 50.940 17.970 +ATOM 1755 HA ALA 112 37.893 49.895 17.664 +ATOM 1756 CB ALA 112 36.810 51.190 19.030 +ATOM 1757 1HB ALA 112 36.829 52.235 19.340 +ATOM 1758 2HB ALA 112 35.838 50.958 18.594 +ATOM 1759 3HB ALA 112 36.980 50.552 19.897 +ATOM 1760 C ALA 112 37.610 51.820 16.770 +ATOM 1761 O ALA 112 36.760 51.390 15.990 +ATOM 1762 N GLY 113 38.160 53.030 16.590 +ATOM 1763 H GLY 113 38.651 53.383 17.399 +ATOM 1764 CA GLY 113 38.120 53.890 15.340 +ATOM 1765 2HA GLY 113 37.090 54.219 15.201 +ATOM 1766 3HA GLY 113 38.757 54.757 15.518 +ATOM 1767 C GLY 113 38.610 53.150 14.020 +ATOM 1768 O GLY 113 38.190 53.560 12.960 +ATOM 1769 N PHE 114 39.510 52.110 14.130 +ATOM 1770 H PHE 114 40.026 51.948 14.983 +ATOM 1771 CA PHE 114 39.920 51.340 12.880 +ATOM 1772 HA PHE 114 40.004 52.023 12.035 +ATOM 1773 CB PHE 114 41.310 50.640 13.100 +ATOM 1774 2HB PHE 114 41.425 49.857 13.850 +ATOM 1775 3HB PHE 114 41.346 50.197 12.105 +ATOM 1776 CG PHE 114 42.530 51.540 13.220 +ATOM 1777 CD1 PHE 114 42.910 52.060 14.430 +ATOM 1778 HD1 PHE 114 42.328 51.893 15.337 +ATOM 1779 CE1 PHE 114 44.060 52.810 14.480 +ATOM 1780 HE1 PHE 114 44.265 53.355 15.401 +ATOM 1781 CZ PHE 114 44.950 52.890 13.410 +ATOM 1782 HZ PHE 114 45.854 53.495 13.483 +ATOM 1783 CE2 PHE 114 44.680 52.200 12.260 +ATOM 1784 HE2 PHE 114 45.389 52.164 11.433 +ATOM 1785 CD2 PHE 114 43.440 51.520 12.160 +ATOM 1786 HD2 PHE 114 43.189 50.975 11.250 +ATOM 1787 C PHE 114 38.870 50.390 12.260 +ATOM 1788 O PHE 114 39.190 49.230 12.160 +ATOM 1789 N THR 115 37.710 50.970 11.840 +ATOM 1790 H THR 115 37.602 51.973 11.786 +ATOM 1791 CA THR 115 36.520 50.120 11.590 +ATOM 1792 HA THR 115 36.214 49.522 12.449 +ATOM 1793 CB THR 115 35.340 51.020 11.170 +ATOM 1794 HB THR 115 35.716 51.581 10.315 +ATOM 1795 CG2 THR 115 33.980 50.360 10.800 +ATOM 1796 1HG2 THR 115 33.603 49.799 11.655 +ATOM 1797 2HG2 THR 115 33.262 51.134 10.529 +ATOM 1798 3HG2 THR 115 34.121 49.685 9.956 +ATOM 1799 OG1 THR 115 35.150 51.950 12.240 +ATOM 1800 1HG THR 115 34.421 52.538 12.027 +ATOM 1801 C THR 115 36.730 48.970 10.600 +ATOM 1802 O THR 115 36.670 47.740 10.920 +ATOM 1803 N ASN 116 37.220 49.280 9.360 +ATOM 1804 H ASN 116 37.338 50.274 9.224 +ATOM 1805 CA ASN 116 37.610 48.370 8.260 +ATOM 1806 HA ASN 116 36.747 47.814 7.893 +ATOM 1807 CB ASN 116 38.180 49.220 7.100 +ATOM 1808 2HB ASN 116 37.661 50.161 6.915 +ATOM 1809 3HB ASN 116 39.210 49.425 7.391 +ATOM 1810 CG ASN 116 38.190 48.420 5.830 +ATOM 1811 OD1 ASN 116 37.220 47.900 5.400 +ATOM 1812 ND2 ASN 116 39.330 48.460 5.170 +ATOM 1813 1HD2 ASN 116 39.426 47.950 4.303 +ATOM 1814 2HD2 ASN 116 40.102 49.000 5.534 +ATOM 1815 C ASN 116 38.760 47.360 8.760 +ATOM 1816 O ASN 116 38.540 46.160 8.590 +ATOM 1817 N SER 117 39.820 47.910 9.300 +ATOM 1818 H SER 117 39.977 48.908 9.298 +ATOM 1819 CA SER 117 40.910 47.020 9.820 +ATOM 1820 HA SER 117 41.263 46.454 8.958 +ATOM 1821 CB SER 117 42.150 47.680 10.530 +ATOM 1822 2HB SER 117 41.765 48.267 11.364 +ATOM 1823 3HB SER 117 42.769 46.868 10.912 +ATOM 1824 OG SER 117 42.900 48.480 9.720 +ATOM 1825 HG SER 117 43.634 48.844 10.221 +ATOM 1826 C SER 117 40.470 45.940 10.740 +ATOM 1827 O SER 117 40.840 44.760 10.590 +ATOM 1828 N LEU 118 39.650 46.320 11.750 +ATOM 1829 H LEU 118 39.632 47.308 11.960 +ATOM 1830 CA LEU 118 38.990 45.430 12.640 +ATOM 1831 HA LEU 118 39.727 44.873 13.219 +ATOM 1832 CB LEU 118 38.100 46.200 13.600 +ATOM 1833 2HB LEU 118 37.464 46.878 13.031 +ATOM 1834 3HB LEU 118 37.487 45.421 14.052 +ATOM 1835 CG LEU 118 38.850 47.010 14.740 +ATOM 1836 HG LEU 118 39.433 47.827 14.315 +ATOM 1837 CD1 LEU 118 37.770 47.580 15.660 +ATOM 1838 1HD1 LEU 118 37.186 46.764 16.086 +ATOM 1839 2HD1 LEU 118 38.239 48.148 16.463 +ATOM 1840 3HD1 LEU 118 37.113 48.235 15.088 +ATOM 1841 CD2 LEU 118 39.730 46.000 15.590 +ATOM 1842 1HD2 LEU 118 40.459 45.517 14.940 +ATOM 1843 2HD2 LEU 118 40.251 46.545 16.377 +ATOM 1844 3HD2 LEU 118 39.085 45.244 16.038 +ATOM 1845 C LEU 118 38.280 44.240 11.970 +ATOM 1846 O LEU 118 38.400 43.080 12.350 +ATOM 1847 N ARG 119 37.380 44.680 11.020 +ATOM 1848 H ARG 119 37.203 45.663 10.871 +ATOM 1849 CA ARG 119 36.600 43.740 10.300 +ATOM 1850 HA ARG 119 36.098 43.061 10.990 +ATOM 1851 CB ARG 119 35.570 44.450 9.500 +ATOM 1852 2HB ARG 119 35.069 45.176 10.140 +ATOM 1853 3HB ARG 119 36.062 44.969 8.678 +ATOM 1854 CG ARG 119 34.560 43.490 8.950 +ATOM 1855 2HG ARG 119 35.109 42.601 8.638 +ATOM 1856 3HG ARG 119 33.891 43.234 9.771 +ATOM 1857 CD ARG 119 33.760 44.010 7.800 +ATOM 1858 2HD ARG 119 32.853 43.415 7.695 +ATOM 1859 3HD ARG 119 33.492 45.049 7.990 +ATOM 1860 NE ARG 119 34.530 43.940 6.520 +ATOM 1861 HE ARG 119 34.403 43.061 6.040 +ATOM 1862 CZ ARG 119 35.310 44.850 5.970 +ATOM 1863 NH1 ARG 119 35.150 46.150 6.120 +ATOM 1864 1HH1 ARG 119 34.391 46.500 6.686 +ATOM 1865 2HH1 ARG 119 35.788 46.790 5.668 +ATOM 1866 NH2 ARG 119 36.290 44.390 5.250 +ATOM 1867 1HH2 ARG 119 36.410 43.393 5.145 +ATOM 1868 2HH2 ARG 119 36.926 45.032 4.800 +ATOM 1869 C ARG 119 37.470 42.810 9.420 +ATOM 1870 O ARG 119 37.340 41.590 9.500 +ATOM 1871 N MET 120 38.490 43.330 8.710 +ATOM 1872 H MET 120 38.413 44.335 8.645 +ATOM 1873 CA MET 120 39.530 42.650 7.900 +ATOM 1874 HA MET 120 39.016 42.040 7.157 +ATOM 1875 CB MET 120 40.520 43.590 7.170 +ATOM 1876 2HB MET 120 40.879 44.319 7.896 +ATOM 1877 3HB MET 120 41.356 42.983 6.821 +ATOM 1878 CG MET 120 39.900 44.310 6.000 +ATOM 1879 2HG MET 120 39.488 43.552 5.334 +ATOM 1880 3HG MET 120 39.091 44.928 6.391 +ATOM 1881 SD MET 120 41.080 45.380 5.050 +ATOM 1882 CE MET 120 40.300 45.590 3.480 +ATOM 1883 1HE MET 120 39.331 46.070 3.617 +ATOM 1884 2HE MET 120 40.927 46.214 2.843 +ATOM 1885 3HE MET 120 40.160 44.616 3.010 +ATOM 1886 C MET 120 40.210 41.550 8.780 +ATOM 1887 O MET 120 40.320 40.370 8.360 +ATOM 1888 N LEU 121 40.750 41.990 9.930 +ATOM 1889 H LEU 121 40.901 42.981 10.051 +ATOM 1890 CA LEU 121 41.250 41.050 11.010 +ATOM 1891 HA LEU 121 42.098 40.453 10.674 +ATOM 1892 CB LEU 121 41.700 41.930 12.140 +ATOM 1893 2HB LEU 121 40.855 42.557 12.425 +ATOM 1894 3HB LEU 121 41.882 41.191 12.920 +ATOM 1895 CG LEU 121 42.970 42.820 11.960 +ATOM 1896 HG LEU 121 42.839 43.510 11.126 +ATOM 1897 CD1 LEU 121 43.160 43.630 13.280 +ATOM 1898 1HD1 LEU 121 43.291 42.941 14.114 +ATOM 1899 2HD1 LEU 121 44.041 44.266 13.193 +ATOM 1900 3HD1 LEU 121 42.281 44.250 13.456 +ATOM 1901 CD2 LEU 121 44.120 41.870 11.820 +ATOM 1902 1HD2 LEU 121 43.960 41.231 10.952 +ATOM 1903 2HD2 LEU 121 45.044 42.434 11.690 +ATOM 1904 3HD2 LEU 121 44.194 41.254 12.716 +ATOM 1905 C LEU 121 40.220 39.980 11.440 +ATOM 1906 O LEU 121 40.660 38.840 11.450 +ATOM 1907 N GLN 122 38.940 40.320 11.680 +ATOM 1908 H GLN 122 38.668 41.290 11.614 +ATOM 1909 CA GLN 122 37.880 39.300 12.050 +ATOM 1910 HA GLN 122 38.176 38.715 12.921 +ATOM 1911 CB GLN 122 36.620 40.070 12.390 +ATOM 1912 2HB GLN 122 36.895 40.823 13.128 +ATOM 1913 3HB GLN 122 36.290 40.562 11.475 +ATOM 1914 CG GLN 122 35.490 39.210 12.940 +ATOM 1915 2HG GLN 122 35.000 38.664 12.133 +ATOM 1916 3HG GLN 122 35.886 38.502 13.669 +ATOM 1917 CD GLN 122 34.470 40.080 13.620 +ATOM 1918 OE1 GLN 122 34.430 40.070 14.860 +ATOM 1919 NE2 GLN 122 33.630 40.850 12.970 +ATOM 1920 1HE2 GLN 122 32.966 41.413 13.482 +ATOM 1921 2HE2 GLN 122 33.651 40.876 11.961 +ATOM 1922 C GLN 122 37.570 38.310 10.910 +ATOM 1923 O GLN 122 37.450 37.120 11.110 +ATOM 1924 N GLN 123 37.450 38.820 9.680 +ATOM 1925 H GLN 123 37.379 39.827 9.641 +ATOM 1926 CA GLN 123 37.380 38.080 8.440 +ATOM 1927 HA GLN 123 36.630 37.293 8.516 +ATOM 1928 CB GLN 123 36.990 39.020 7.290 +ATOM 1929 2HB GLN 123 37.653 39.885 7.309 +ATOM 1930 3HB GLN 123 37.116 38.487 6.348 +ATOM 1931 CG GLN 123 35.560 39.480 7.420 +ATOM 1932 2HG GLN 123 34.992 38.550 7.393 +ATOM 1933 3HG GLN 123 35.377 39.989 8.366 +ATOM 1934 CD GLN 123 35.080 40.380 6.280 +ATOM 1935 OE1 GLN 123 35.710 41.380 5.960 +ATOM 1936 NE2 GLN 123 33.930 40.110 5.740 +ATOM 1937 1HE2 GLN 123 33.583 40.684 4.985 +ATOM 1938 2HE2 GLN 123 33.388 39.327 6.078 +ATOM 1939 C GLN 123 38.760 37.360 8.080 +ATOM 1940 O GLN 123 38.950 36.800 6.990 +ATOM 1941 N LYS 124 39.840 37.390 9.010 +ATOM 1942 H LYS 124 39.722 38.056 9.760 +ATOM 1943 CA LYS 124 41.190 36.750 8.830 +ATOM 1944 HA LYS 124 41.924 37.158 9.525 +ATOM 1945 CB LYS 124 41.010 35.230 9.130 +ATOM 1946 2HB LYS 124 40.510 34.796 8.264 +ATOM 1947 3HB LYS 124 42.011 34.807 9.221 +ATOM 1948 CG LYS 124 40.170 34.900 10.450 +ATOM 1949 2HG LYS 124 40.432 35.662 11.184 +ATOM 1950 3HG LYS 124 39.118 35.000 10.183 +ATOM 1951 CD LYS 124 40.420 33.480 11.060 +ATOM 1952 2HD LYS 124 40.601 32.757 10.265 +ATOM 1953 3HD LYS 124 41.280 33.506 11.730 +ATOM 1954 CE LYS 124 39.200 33.080 11.830 +ATOM 1955 2HE LYS 124 38.288 33.326 11.286 +ATOM 1956 3HE LYS 124 39.208 32.015 12.063 +ATOM 1957 NZ LYS 124 39.250 33.850 13.070 +ATOM 1958 1HZ LYS 124 39.242 34.837 12.854 +ATOM 1959 2HZ LYS 124 38.447 33.624 13.639 +ATOM 1960 3HZ LYS 124 40.095 33.622 13.574 +ATOM 1961 C LYS 124 41.910 37.180 7.520 +ATOM 1962 O LYS 124 42.710 36.350 7.030 +ATOM 1963 N ARG 125 41.760 38.380 7.010 +ATOM 1964 H ARG 125 41.008 38.873 7.470 +ATOM 1965 CA ARG 125 42.340 38.970 5.810 +ATOM 1966 HA ARG 125 42.762 38.182 5.186 +ATOM 1967 CB ARG 125 41.250 39.750 4.970 +ATOM 1968 2HB ARG 125 40.443 40.049 5.639 +ATOM 1969 3HB ARG 125 41.713 40.638 4.540 +ATOM 1970 CG ARG 125 40.680 38.870 3.840 +ATOM 1971 2HG ARG 125 40.104 39.537 3.198 +ATOM 1972 3HG ARG 125 41.540 38.490 3.289 +ATOM 1973 CD ARG 125 39.800 37.700 4.280 +ATOM 1974 2HD ARG 125 40.374 37.155 5.029 +ATOM 1975 3HD ARG 125 38.921 38.142 4.749 +ATOM 1976 NE ARG 125 39.350 36.740 3.230 +ATOM 1977 HE ARG 125 39.523 37.001 2.270 +ATOM 1978 CZ ARG 125 38.690 35.620 3.470 +ATOM 1979 NH1 ARG 125 38.590 35.180 4.690 +ATOM 1980 1HH1 ARG 125 39.017 35.696 5.446 +ATOM 1981 2HH1 ARG 125 38.086 34.324 4.875 +ATOM 1982 NH2 ARG 125 38.180 34.880 2.540 +ATOM 1983 1HH2 ARG 125 38.278 35.151 1.572 +ATOM 1984 2HH2 ARG 125 37.686 34.034 2.786 +ATOM 1985 C ARG 125 43.650 39.750 6.130 +ATOM 1986 O ARG 125 43.630 41.050 6.070 +ATOM 1987 N TRP 126 44.710 39.040 6.540 +ATOM 1988 H TRP 126 44.691 38.032 6.474 +ATOM 1989 CA TRP 126 45.950 39.690 7.040 +ATOM 1990 HA TRP 126 45.823 40.237 7.974 +ATOM 1991 CB TRP 126 46.820 38.490 7.300 +ATOM 1992 2HB TRP 126 46.916 38.115 6.281 +ATOM 1993 3HB TRP 126 47.810 38.708 7.701 +ATOM 1994 CG TRP 126 46.270 37.380 8.110 +ATOM 1995 CD1 TRP 126 46.290 36.070 7.770 +ATOM 1996 HD1 TRP 126 46.876 35.852 6.877 +ATOM 1997 NE1 TRP 126 45.560 35.280 8.630 +ATOM 1998 HE1 TRP 126 45.337 34.314 8.439 +ATOM 1999 CE2 TRP 126 45.030 36.040 9.660 +ATOM 2000 CZ2 TRP 126 44.150 35.770 10.740 +ATOM 2001 HZ2 TRP 126 43.806 34.740 10.838 +ATOM 2002 CH2 TRP 126 43.760 36.850 11.640 +ATOM 2003 HH2 TRP 126 43.183 36.684 12.550 +ATOM 2004 CZ3 TRP 126 44.150 38.160 11.310 +ATOM 2005 HZ3 TRP 126 43.788 38.990 11.917 +ATOM 2006 CE3 TRP 126 44.980 38.450 10.240 +ATOM 2007 HE3 TRP 126 45.340 39.477 10.182 +ATOM 2008 CD2 TRP 126 45.420 37.390 9.310 +ATOM 2009 C TRP 126 46.670 40.590 6.110 +ATOM 2010 O TRP 126 47.210 41.620 6.470 +ATOM 2011 N ASP 127 46.710 40.220 4.800 +ATOM 2012 H ASP 127 46.295 39.331 4.559 +ATOM 2013 CA ASP 127 47.370 40.990 3.740 +ATOM 2014 HA ASP 127 48.409 41.188 4.003 +ATOM 2015 CB ASP 127 47.340 40.200 2.470 +ATOM 2016 2HB ASP 127 47.788 39.213 2.585 +ATOM 2017 3HB ASP 127 46.270 40.094 2.290 +ATOM 2018 CG ASP 127 47.980 40.910 1.300 +ATOM 2019 OD1 ASP 127 49.170 41.030 1.320 +ATOM 2020 OD2 ASP 127 47.220 41.210 0.330 +ATOM 2021 C ASP 127 46.840 42.380 3.430 +ATOM 2022 O ASP 127 47.560 43.400 3.420 +ATOM 2023 N GLU 128 45.500 42.450 3.310 +ATOM 2024 H GLU 128 45.071 41.544 3.182 +ATOM 2025 CA GLU 128 44.630 43.670 3.210 +ATOM 2026 HA GLU 128 45.107 44.374 2.528 +ATOM 2027 CB GLU 128 43.190 43.370 2.690 +ATOM 2028 2HB GLU 128 42.602 43.051 3.550 +ATOM 2029 3HB GLU 128 42.790 44.308 2.304 +ATOM 2030 CG GLU 128 43.120 42.290 1.590 +ATOM 2031 2HG GLU 128 43.975 42.445 0.932 +ATOM 2032 3HG GLU 128 43.195 41.308 2.057 +ATOM 2033 CD GLU 128 41.820 42.370 0.770 +ATOM 2034 OE1 GLU 128 41.610 43.290 -0.030 +ATOM 2035 OE2 GLU 128 40.950 41.510 0.920 +ATOM 2036 C GLU 128 44.670 44.400 4.640 +ATOM 2037 O GLU 128 44.930 45.600 4.650 +ATOM 2038 N ALA 129 44.380 43.800 5.760 +ATOM 2039 H ALA 129 44.097 42.831 5.720 +ATOM 2040 CA ALA 129 44.350 44.470 7.040 +ATOM 2041 HA ALA 129 43.502 45.154 7.036 +ATOM 2042 CB ALA 129 44.150 43.430 8.200 +ATOM 2043 1HB ALA 129 44.996 42.743 8.223 +ATOM 2044 2HB ALA 129 44.083 43.956 9.153 +ATOM 2045 3HB ALA 129 43.231 42.868 8.031 +ATOM 2046 C ALA 129 45.680 45.370 7.270 +ATOM 2047 O ALA 129 45.550 46.570 7.720 +ATOM 2048 N ALA 130 46.860 44.730 6.970 +ATOM 2049 H ALA 130 46.788 43.728 6.868 +ATOM 2050 CA ALA 130 48.150 45.320 6.920 +ATOM 2051 HA ALA 130 48.453 45.622 7.923 +ATOM 2052 CB ALA 130 49.050 44.210 6.460 +ATOM 2053 1HB ALA 130 48.764 43.903 5.454 +ATOM 2054 2HB ALA 130 50.083 44.558 6.454 +ATOM 2055 3HB ALA 130 48.957 43.362 7.138 +ATOM 2056 C ALA 130 48.210 46.560 6.110 +ATOM 2057 O ALA 130 48.900 47.580 6.440 +ATOM 2058 N VAL 131 47.530 46.620 4.930 +ATOM 2059 H VAL 131 47.029 45.826 4.558 +ATOM 2060 CA VAL 131 47.670 47.820 4.080 +ATOM 2061 HA VAL 131 48.729 48.073 4.123 +ATOM 2062 CB VAL 131 47.310 47.440 2.620 +ATOM 2063 HB VAL 131 46.360 46.905 2.620 +ATOM 2064 CG1 VAL 131 47.190 48.700 1.740 +ATOM 2065 1HG1 VAL 131 48.140 49.235 1.739 +ATOM 2066 2HG1 VAL 131 46.937 48.409 0.720 +ATOM 2067 3HG1 VAL 131 46.409 49.348 2.137 +ATOM 2068 CG2 VAL 131 48.400 46.670 1.860 +ATOM 2069 1HG2 VAL 131 48.616 45.737 2.380 +ATOM 2070 2HG2 VAL 131 48.054 46.451 0.850 +ATOM 2071 3HG2 VAL 131 49.305 47.275 1.810 +ATOM 2072 C VAL 131 46.860 48.980 4.710 +ATOM 2073 O VAL 131 47.170 50.180 4.550 +ATOM 2074 N ASN 132 45.760 48.640 5.420 +ATOM 2075 H ASN 132 45.519 47.672 5.581 +ATOM 2076 CA ASN 132 44.810 49.700 5.900 +ATOM 2077 HA ASN 132 44.774 50.562 5.233 +ATOM 2078 CB ASN 132 43.450 49.030 5.900 +ATOM 2079 2HB ASN 132 43.245 48.588 4.925 +ATOM 2080 3HB ASN 132 43.524 48.241 6.648 +ATOM 2081 CG ASN 132 42.300 49.940 6.270 +ATOM 2082 OD1 ASN 132 42.100 50.260 7.440 +ATOM 2083 ND2 ASN 132 41.540 50.450 5.280 +ATOM 2084 1HD2 ASN 132 40.767 51.060 5.504 +ATOM 2085 2HD2 ASN 132 41.747 50.220 4.319 +ATOM 2086 C ASN 132 45.280 50.260 7.290 +ATOM 2087 O ASN 132 45.260 51.420 7.570 +ATOM 2088 N LEU 133 45.960 49.380 8.040 +ATOM 2089 H LEU 133 45.769 48.402 7.873 +ATOM 2090 CA LEU 133 46.840 49.740 9.180 +ATOM 2091 HA LEU 133 46.259 50.349 9.872 +ATOM 2092 CB LEU 133 47.420 48.510 9.960 +ATOM 2093 2HB LEU 133 47.841 47.854 9.198 +ATOM 2094 3HB LEU 133 48.213 48.843 10.630 +ATOM 2095 CG LEU 133 46.350 47.740 10.770 +ATOM 2096 HG LEU 133 45.460 47.571 10.164 +ATOM 2097 CD1 LEU 133 46.980 46.350 11.180 +ATOM 2098 1HD1 LEU 133 47.870 46.519 11.786 +ATOM 2099 2HD1 LEU 133 46.253 45.776 11.755 +ATOM 2100 3HD1 LEU 133 47.252 45.795 10.282 +ATOM 2101 CD2 LEU 133 45.840 48.480 12.020 +ATOM 2102 1HD2 LEU 133 45.391 49.428 11.724 +ATOM 2103 2HD2 LEU 133 45.094 47.868 12.526 +ATOM 2104 3HD2 LEU 133 46.674 48.669 12.696 +ATOM 2105 C LEU 133 47.990 50.740 8.710 +ATOM 2106 O LEU 133 48.240 51.760 9.420 +ATOM 2107 N ALA 134 48.650 50.500 7.580 +ATOM 2108 H ALA 134 48.519 49.647 7.056 +ATOM 2109 CA ALA 134 49.720 51.420 7.160 +ATOM 2110 HA ALA 134 50.309 51.662 8.045 +ATOM 2111 CB ALA 134 50.610 50.690 6.170 +ATOM 2112 1HB ALA 134 50.037 50.449 5.274 +ATOM 2113 2HB ALA 134 51.453 51.326 5.901 +ATOM 2114 3HB ALA 134 50.979 49.770 6.623 +ATOM 2115 C ALA 134 49.150 52.820 6.630 +ATOM 2116 O ALA 134 49.950 53.680 6.320 +ATOM 2117 N LYS 135 47.810 52.930 6.310 +ATOM 2118 H LYS 135 47.326 52.062 6.489 +ATOM 2119 CA LYS 135 47.040 54.060 5.690 +ATOM 2120 HA LYS 135 47.724 54.779 5.239 +ATOM 2121 CB LYS 135 46.090 53.500 4.570 +ATOM 2122 2HB LYS 135 45.667 52.581 4.977 +ATOM 2123 3HB LYS 135 45.301 54.243 4.457 +ATOM 2124 CG LYS 135 46.720 53.210 3.200 +ATOM 2125 2HG LYS 135 47.064 54.155 2.780 +ATOM 2126 3HG LYS 135 47.573 52.549 3.354 +ATOM 2127 CD LYS 135 45.730 52.550 2.230 +ATOM 2128 2HD LYS 135 45.505 51.545 2.588 +ATOM 2129 3HD LYS 135 44.814 53.141 2.208 +ATOM 2130 CE LYS 135 46.310 52.470 0.840 +ATOM 2131 2HE LYS 135 47.395 52.509 0.935 +ATOM 2132 3HE LYS 135 46.017 51.509 0.418 +ATOM 2133 NZ LYS 135 45.850 53.570 -0.060 +ATOM 2134 1HZ LYS 135 46.122 54.461 0.331 +ATOM 2135 2HZ LYS 135 46.273 53.459 -0.971 +ATOM 2136 3HZ LYS 135 44.845 53.534 -0.149 +ATOM 2137 C LYS 135 46.280 54.840 6.780 +ATOM 2138 O LYS 135 45.080 55.160 6.740 +ATOM 2139 N SER 136 47.060 55.340 7.750 +ATOM 2140 H SER 136 48.062 55.392 7.632 +ATOM 2141 CA SER 136 46.490 55.790 9.010 +ATOM 2142 HA SER 136 45.499 56.205 8.824 +ATOM 2143 CB SER 136 46.360 54.650 10.020 +ATOM 2144 2HB SER 136 45.766 55.010 10.860 +ATOM 2145 3HB SER 136 45.838 53.826 9.534 +ATOM 2146 OG SER 136 47.620 54.200 10.490 +ATOM 2147 HG SER 136 47.491 53.487 11.119 +ATOM 2148 C SER 136 47.360 56.930 9.660 +ATOM 2149 O SER 136 48.590 56.970 9.560 +ATOM 2150 N ARG 137 46.710 57.790 10.420 +ATOM 2151 H ARG 137 45.703 57.719 10.430 +ATOM 2152 CA ARG 137 47.340 58.900 11.160 +ATOM 2153 HA ARG 137 47.966 59.474 10.477 +ATOM 2154 CB ARG 137 46.310 59.830 11.770 +ATOM 2155 2HB ARG 137 45.785 60.342 10.964 +ATOM 2156 3HB ARG 137 45.601 59.233 12.344 +ATOM 2157 CG ARG 137 46.990 60.900 12.720 +ATOM 2158 2HG ARG 137 47.650 60.380 13.414 +ATOM 2159 3HG ARG 137 47.575 61.587 12.108 +ATOM 2160 CD ARG 137 45.950 61.680 13.500 +ATOM 2161 2HD ARG 137 45.392 62.343 12.839 +ATOM 2162 3HD ARG 137 45.259 61.003 14.002 +ATOM 2163 NE ARG 137 46.630 62.490 14.510 +ATOM 2164 HE ARG 137 46.647 63.429 14.139 +ATOM 2165 CZ ARG 137 47.290 62.240 15.660 +ATOM 2166 NH1 ARG 137 47.180 61.080 16.210 +ATOM 2167 1HH1 ARG 137 46.604 60.372 15.778 +ATOM 2168 2HH1 ARG 137 47.671 60.884 17.071 +ATOM 2169 NH2 ARG 137 47.900 63.170 16.300 +ATOM 2170 1HH2 ARG 137 47.891 64.114 15.942 +ATOM 2171 2HH2 ARG 137 48.386 62.953 17.158 +ATOM 2172 C ARG 137 48.290 58.250 12.190 +ATOM 2173 O ARG 137 49.430 58.650 12.230 +ATOM 2174 N TRP 138 47.980 57.210 12.870 +ATOM 2175 H TRP 138 46.985 57.084 12.989 +ATOM 2176 CA TRP 138 48.890 56.330 13.620 +ATOM 2177 HA TRP 138 49.293 56.897 14.459 +ATOM 2178 CB TRP 138 48.200 55.020 14.180 +ATOM 2179 2HB TRP 138 47.539 55.496 14.904 +ATOM 2180 3HB TRP 138 47.605 54.467 13.454 +ATOM 2181 CG TRP 138 49.010 54.000 14.940 +ATOM 2182 CD1 TRP 138 49.760 54.290 16.050 +ATOM 2183 HD1 TRP 138 49.683 55.311 16.424 +ATOM 2184 NE1 TRP 138 50.480 53.180 16.470 +ATOM 2185 HE1 TRP 138 51.255 53.147 17.117 +ATOM 2186 CE2 TRP 138 50.050 52.120 15.660 +ATOM 2187 CZ2 TRP 138 50.340 50.750 15.700 +ATOM 2188 HZ2 TRP 138 50.924 50.511 16.589 +ATOM 2189 CH2 TRP 138 49.940 49.790 14.730 +ATOM 2190 HH2 TRP 138 50.100 48.713 14.770 +ATOM 2191 CZ3 TRP 138 49.270 50.340 13.620 +ATOM 2192 HZ3 TRP 138 48.998 49.720 12.766 +ATOM 2193 CE3 TRP 138 48.930 51.710 13.580 +ATOM 2194 HE3 TRP 138 48.110 51.903 12.889 +ATOM 2195 CD2 TRP 138 49.350 52.650 14.570 +ATOM 2196 C TRP 138 50.200 55.960 12.960 +ATOM 2197 O TRP 138 51.240 56.110 13.620 +ATOM 2198 N TYR 139 50.190 55.640 11.660 +ATOM 2199 H TYR 139 49.358 55.308 11.193 +ATOM 2200 CA TYR 139 51.460 55.560 10.950 +ATOM 2201 HA TYR 139 52.171 54.930 11.485 +ATOM 2202 CB TYR 139 51.190 54.940 9.590 +ATOM 2203 2HB TYR 139 50.718 53.978 9.791 +ATOM 2204 3HB TYR 139 50.509 55.564 9.012 +ATOM 2205 CG TYR 139 52.470 54.720 8.800 +ATOM 2206 CD1 TYR 139 53.020 53.400 8.840 +ATOM 2207 HD1 TYR 139 52.400 52.637 9.312 +ATOM 2208 CE1 TYR 139 54.270 53.060 8.320 +ATOM 2209 HE1 TYR 139 54.684 52.072 8.522 +ATOM 2210 CZ TYR 139 55.090 54.070 7.820 +ATOM 2211 OH TYR 139 56.260 53.650 7.270 +ATOM 2212 HH TYR 139 56.368 52.697 7.300 +ATOM 2213 CE2 TYR 139 54.550 55.360 7.630 +ATOM 2214 HE2 TYR 139 55.155 56.123 7.140 +ATOM 2215 CD2 TYR 139 53.230 55.670 8.070 +ATOM 2216 HD2 TYR 139 52.796 56.644 7.846 +ATOM 2217 C TYR 139 52.340 56.820 10.870 +ATOM 2218 O TYR 139 53.420 56.870 11.490 +ATOM 2219 N ASN 140 51.850 57.840 10.130 +ATOM 2220 H ASN 140 51.009 57.655 9.603 +ATOM 2221 CA ASN 140 52.520 59.180 9.960 +ATOM 2222 HA ASN 140 53.414 59.092 9.343 +ATOM 2223 CB ASN 140 51.530 60.130 9.260 +ATOM 2224 2HB ASN 140 50.537 60.167 9.707 +ATOM 2225 3HB ASN 140 52.019 61.096 9.384 +ATOM 2226 CG ASN 140 51.380 59.840 7.740 +ATOM 2227 OD1 ASN 140 50.500 59.080 7.350 +ATOM 2228 ND2 ASN 140 52.110 60.560 6.930 +ATOM 2229 1HD2 ASN 140 52.049 60.411 5.933 +ATOM 2230 2HD2 ASN 140 52.731 61.263 7.305 +ATOM 2231 C ASN 140 53.030 59.730 11.300 +ATOM 2232 O ASN 140 54.210 60.180 11.360 +ATOM 2233 N GLN 141 52.240 59.650 12.420 +ATOM 2234 H GLN 141 51.278 59.367 12.295 +ATOM 2235 CA GLN 141 52.670 60.070 13.750 +ATOM 2236 HA GLN 141 53.098 61.072 13.770 +ATOM 2237 CB GLN 141 51.390 60.080 14.530 +ATOM 2238 2HB GLN 141 50.949 59.091 14.402 +ATOM 2239 3HB GLN 141 51.672 60.219 15.574 +ATOM 2240 CG GLN 141 50.340 61.180 14.120 +ATOM 2241 2HG GLN 141 49.843 60.841 13.211 +ATOM 2242 3HG GLN 141 49.625 61.191 14.943 +ATOM 2243 CD GLN 141 50.840 62.580 13.900 +ATOM 2244 OE1 GLN 141 50.630 63.130 12.860 +ATOM 2245 NE2 GLN 141 51.470 63.240 14.840 +ATOM 2246 1HE2 GLN 141 51.794 64.180 14.662 +ATOM 2247 2HE2 GLN 141 51.628 62.806 15.738 +ATOM 2248 C GLN 141 53.800 59.220 14.340 +ATOM 2249 O GLN 141 54.750 59.800 14.910 +ATOM 2250 N THR 142 53.680 57.920 14.220 +ATOM 2251 H THR 142 52.785 57.680 13.819 +ATOM 2252 CA THR 142 54.530 56.810 14.790 +ATOM 2253 HA THR 142 55.504 57.249 15.006 +ATOM 2254 CB THR 142 54.000 56.170 16.050 +ATOM 2255 HB THR 142 54.504 55.215 16.197 +ATOM 2256 CG2 THR 142 54.240 57.050 17.240 +ATOM 2257 1HG2 THR 142 53.735 58.005 17.094 +ATOM 2258 2HG2 THR 142 53.849 56.566 18.135 +ATOM 2259 3HG2 THR 142 55.310 57.219 17.357 +ATOM 2260 OG1 THR 142 52.590 55.950 15.990 +ATOM 2261 1HG THR 142 52.295 55.543 16.808 +ATOM 2262 C THR 142 55.020 55.740 13.800 +ATOM 2263 O THR 142 54.670 54.640 14.030 +ATOM 2264 N PRO 143 55.890 56.020 12.800 +ATOM 2265 CD PRO 143 56.240 57.420 12.300 +ATOM 2266 2HD PRO 143 56.999 57.839 12.961 +ATOM 2267 3HD PRO 143 55.340 58.034 12.345 +ATOM 2268 CG PRO 143 56.750 57.230 10.860 +ATOM 2269 2HG PRO 143 57.608 57.878 10.679 +ATOM 2270 3HG PRO 143 55.959 57.469 10.149 +ATOM 2271 CB PRO 143 57.140 55.740 10.770 +ATOM 2272 2HB PRO 143 58.186 55.540 11.002 +ATOM 2273 3HB PRO 143 56.921 55.399 9.758 +ATOM 2274 CA PRO 143 56.230 55.010 11.780 +ATOM 2275 HA PRO 143 55.301 54.775 11.261 +ATOM 2276 C PRO 143 56.840 53.760 12.290 +ATOM 2277 O PRO 143 56.570 52.680 11.870 +ATOM 2278 N ASN 144 57.910 53.980 13.050 +ATOM 2279 H ASN 144 58.201 54.940 13.169 +ATOM 2280 CA ASN 144 58.770 52.940 13.550 +ATOM 2281 HA ASN 144 59.143 52.358 12.708 +ATOM 2282 CB ASN 144 59.980 53.500 14.340 +ATOM 2283 2HB ASN 144 59.712 53.732 15.371 +ATOM 2284 3HB ASN 144 60.725 52.704 14.329 +ATOM 2285 CG ASN 144 60.590 54.750 13.700 +ATOM 2286 OD1 ASN 144 60.830 55.800 14.240 +ATOM 2287 ND2 ASN 144 60.980 54.720 12.450 +ATOM 2288 1HD2 ASN 144 61.382 55.546 12.030 +ATOM 2289 2HD2 ASN 144 60.877 53.871 11.912 +ATOM 2290 C ASN 144 57.930 51.910 14.300 +ATOM 2291 O ASN 144 58.040 50.750 14.000 +ATOM 2292 N ARG 145 57.050 52.310 15.230 +ATOM 2293 H ARG 145 57.111 53.292 15.457 +ATOM 2294 CA ARG 145 56.110 51.470 16.000 +ATOM 2295 HA ARG 145 56.669 50.652 16.455 +ATOM 2296 CB ARG 145 55.370 52.260 17.130 +ATOM 2297 2HB ARG 145 56.147 52.739 17.726 +ATOM 2298 3HB ARG 145 54.775 53.023 16.629 +ATOM 2299 CG ARG 145 54.470 51.430 18.040 +ATOM 2300 2HG ARG 145 53.420 51.551 17.772 +ATOM 2301 3HG ARG 145 54.736 50.374 17.999 +ATOM 2302 CD ARG 145 54.690 51.940 19.410 +ATOM 2303 2HD ARG 145 55.748 51.827 19.647 +ATOM 2304 3HD ARG 145 54.427 52.998 19.423 +ATOM 2305 NE ARG 145 53.860 51.210 20.490 +ATOM 2306 HE ARG 145 53.402 50.352 20.218 +ATOM 2307 CZ ARG 145 53.620 51.700 21.700 +ATOM 2308 NH1 ARG 145 54.240 52.820 22.080 +ATOM 2309 1HH1 ARG 145 54.880 53.279 21.448 +ATOM 2310 2HH1 ARG 145 54.066 53.203 22.998 +ATOM 2311 NH2 ARG 145 52.880 50.990 22.510 +ATOM 2312 1HH2 ARG 145 52.513 50.100 22.204 +ATOM 2313 2HH2 ARG 145 52.679 51.335 23.438 +ATOM 2314 C ARG 145 55.120 50.780 15.140 +ATOM 2315 O ARG 145 54.950 49.620 15.220 +ATOM 2316 N ALA 146 54.390 51.470 14.270 +ATOM 2317 H ALA 146 54.474 52.475 14.329 +ATOM 2318 CA ALA 146 53.400 50.910 13.350 +ATOM 2319 HA ALA 146 52.650 50.364 13.922 +ATOM 2320 CB ALA 146 52.700 52.060 12.590 +ATOM 2321 1HB ALA 146 53.436 52.611 12.005 +ATOM 2322 2HB ALA 146 51.942 51.648 11.924 +ATOM 2323 3HB ALA 146 52.227 52.734 13.305 +ATOM 2324 C ALA 146 54.050 49.890 12.480 +ATOM 2325 O ALA 146 53.510 48.820 12.430 +ATOM 2326 N LYS 147 55.180 50.090 11.810 +ATOM 2327 H LYS 147 55.508 51.045 11.781 +ATOM 2328 CA LYS 147 55.960 49.040 11.050 +ATOM 2329 HA LYS 147 55.401 48.731 10.166 +ATOM 2330 CB LYS 147 57.290 49.590 10.610 +ATOM 2331 2HB LYS 147 57.589 50.466 11.185 +ATOM 2332 3HB LYS 147 58.083 48.843 10.648 +ATOM 2333 CG LYS 147 57.050 49.980 9.210 +ATOM 2334 2HG LYS 147 56.751 49.090 8.657 +ATOM 2335 3HG LYS 147 56.238 50.706 9.195 +ATOM 2336 CD LYS 147 58.310 50.600 8.550 +ATOM 2337 2HD LYS 147 59.145 49.913 8.687 +ATOM 2338 3HD LYS 147 58.115 50.726 7.485 +ATOM 2339 CE LYS 147 58.660 51.960 9.170 +ATOM 2340 2HE LYS 147 57.778 52.600 9.149 +ATOM 2341 3HE LYS 147 58.976 51.812 10.203 +ATOM 2342 NZ LYS 147 59.750 52.600 8.410 +ATOM 2343 1HZ LYS 147 59.457 52.738 7.453 +ATOM 2344 2HZ LYS 147 59.972 53.493 8.827 +ATOM 2345 3HZ LYS 147 60.567 52.007 8.430 +ATOM 2346 C LYS 147 56.190 47.760 11.820 +ATOM 2347 O LYS 147 55.740 46.700 11.370 +ATOM 2348 N ARG 148 56.810 47.890 12.990 +ATOM 2349 H ARG 148 57.330 48.752 13.070 +ATOM 2350 CA ARG 148 57.010 46.870 14.000 +ATOM 2351 HA ARG 148 57.534 46.044 13.519 +ATOM 2352 CB ARG 148 57.810 47.300 15.250 +ATOM 2353 2HB ARG 148 57.269 48.106 15.746 +ATOM 2354 3HB ARG 148 57.885 46.446 15.923 +ATOM 2355 CG ARG 148 59.210 47.780 14.880 +ATOM 2356 2HG ARG 148 59.677 47.072 14.195 +ATOM 2357 3HG ARG 148 59.154 48.760 14.407 +ATOM 2358 CD ARG 148 60.060 47.880 16.180 +ATOM 2359 2HD ARG 148 59.946 46.932 16.706 +ATOM 2360 3HD ARG 148 61.098 48.001 15.871 +ATOM 2361 NE ARG 148 59.700 49.010 17.130 +ATOM 2362 HE ARG 148 59.185 48.647 17.919 +ATOM 2363 CZ ARG 148 59.890 50.300 17.050 +ATOM 2364 NH1 ARG 148 60.800 50.860 16.280 +ATOM 2365 1HH1 ARG 148 61.399 50.281 15.708 +ATOM 2366 2HH1 ARG 148 60.895 51.865 16.265 +ATOM 2367 NH2 ARG 148 59.170 51.010 17.840 +ATOM 2368 1HH2 ARG 148 58.515 50.560 18.463 +ATOM 2369 2HH2 ARG 148 59.262 52.016 17.835 +ATOM 2370 C ARG 148 55.660 46.100 14.340 +ATOM 2371 O ARG 148 55.470 44.980 13.780 +ATOM 2372 N VAL 149 54.690 46.720 15.050 +ATOM 2373 H VAL 149 55.002 47.574 15.489 +ATOM 2374 CA VAL 149 53.340 46.190 15.410 +ATOM 2375 HA VAL 149 53.458 45.334 16.075 +ATOM 2376 CB VAL 149 52.480 47.250 16.120 +ATOM 2377 HB VAL 149 52.353 48.063 15.405 +ATOM 2378 CG1 VAL 149 51.090 46.780 16.620 +ATOM 2379 1HG1 VAL 149 51.216 45.967 17.335 +ATOM 2380 2HG1 VAL 149 50.577 47.612 17.103 +ATOM 2381 3HG1 VAL 149 50.498 46.430 15.774 +ATOM 2382 CG2 VAL 149 53.190 47.810 17.390 +ATOM 2383 1HG2 VAL 149 54.136 48.270 17.105 +ATOM 2384 2HG2 VAL 149 52.552 48.556 17.864 +ATOM 2385 3HG2 VAL 149 53.379 46.996 18.090 +ATOM 2386 C VAL 149 52.700 45.510 14.200 +ATOM 2387 O VAL 149 52.540 44.320 14.200 +ATOM 2388 N ILE 150 52.320 46.250 13.120 +ATOM 2389 H ILE 150 52.285 47.234 13.347 +ATOM 2390 CA ILE 150 51.810 45.830 11.860 +ATOM 2391 HA ILE 150 50.771 45.610 12.107 +ATOM 2392 CB ILE 150 51.860 46.920 10.730 +ATOM 2393 HB ILE 150 52.903 47.222 10.630 +ATOM 2394 CG2 ILE 150 51.330 46.460 9.370 +ATOM 2395 1HG2 ILE 150 50.287 46.158 9.469 +ATOM 2396 2HG2 ILE 150 51.405 47.279 8.655 +ATOM 2397 3HG2 ILE 150 51.920 45.615 9.017 +ATOM 2398 CG1 ILE 150 50.830 48.030 11.180 +ATOM 2399 2HG1 ILE 150 49.828 47.639 11.000 +ATOM 2400 3HG1 ILE 150 50.970 48.192 12.249 +ATOM 2401 CD1 ILE 150 51.000 49.350 10.440 +ATOM 2402 1HD1 ILE 150 50.860 49.189 9.371 +ATOM 2403 2HD1 ILE 150 50.261 50.066 10.799 +ATOM 2404 3HD1 ILE 150 52.001 49.742 10.620 +ATOM 2405 C ILE 150 52.370 44.520 11.400 +ATOM 2406 O ILE 150 51.670 43.630 10.960 +ATOM 2407 N THR 151 53.730 44.360 11.380 +ATOM 2408 H THR 151 54.295 45.160 11.627 +ATOM 2409 CA THR 151 54.420 43.120 10.930 +ATOM 2410 HA THR 151 54.043 42.917 9.928 +ATOM 2411 CB THR 151 55.970 43.150 10.880 +ATOM 2412 HB THR 151 56.307 43.080 11.914 +ATOM 2413 CG2 THR 151 56.640 42.050 10.050 +ATOM 2414 1HG2 THR 151 56.304 42.119 9.015 +ATOM 2415 2HG2 THR 151 57.722 42.173 10.089 +ATOM 2416 3HG2 THR 151 56.371 41.074 10.454 +ATOM 2417 OG1 THR 151 56.470 44.360 10.310 +ATOM 2418 1HG THR 151 57.430 44.336 10.299 +ATOM 2419 C THR 151 53.990 41.940 11.790 +ATOM 2420 O THR 151 53.750 40.870 11.220 +ATOM 2421 N THR 152 53.930 42.140 13.120 +ATOM 2422 H THR 152 54.292 42.987 13.533 +ATOM 2423 CA THR 152 53.440 41.090 14.010 +ATOM 2424 HA THR 152 53.880 40.140 13.706 +ATOM 2425 CB THR 152 53.730 41.310 15.480 +ATOM 2426 HB THR 152 53.436 42.336 15.701 +ATOM 2427 CG2 THR 152 53.020 40.360 16.440 +ATOM 2428 1HG2 THR 152 53.314 39.334 16.220 +ATOM 2429 2HG2 THR 152 53.297 40.605 17.465 +ATOM 2430 3HG2 THR 152 51.941 40.462 16.322 +ATOM 2431 OG1 THR 152 55.190 41.170 15.650 +ATOM 2432 1HG THR 152 55.419 41.303 16.573 +ATOM 2433 C THR 152 51.880 40.870 13.790 +ATOM 2434 O THR 152 51.410 39.780 13.580 +ATOM 2435 N PHE 153 51.190 41.960 13.530 +ATOM 2436 H PHE 153 51.655 42.843 13.375 +ATOM 2437 CA PHE 153 49.690 41.910 13.400 +ATOM 2438 HA PHE 153 49.254 41.438 14.280 +ATOM 2439 CB PHE 153 49.140 43.300 13.280 +ATOM 2440 2HB PHE 153 49.785 44.074 13.696 +ATOM 2441 3HB PHE 153 48.971 43.498 12.222 +ATOM 2442 CG PHE 153 47.790 43.440 13.970 +ATOM 2443 CD1 PHE 153 46.910 42.390 14.210 +ATOM 2444 HD1 PHE 153 47.086 41.374 13.858 +ATOM 2445 CE1 PHE 153 45.740 42.690 14.950 +ATOM 2446 HE1 PHE 153 45.022 41.880 15.075 +ATOM 2447 CZ PHE 153 45.480 43.950 15.510 +ATOM 2448 HZ PHE 153 44.630 44.108 16.174 +ATOM 2449 CE2 PHE 153 46.340 45.020 15.200 +ATOM 2450 HE2 PHE 153 46.121 46.037 15.524 +ATOM 2451 CD2 PHE 153 47.480 44.760 14.470 +ATOM 2452 HD2 PHE 153 48.183 45.564 14.253 +ATOM 2453 C PHE 153 49.400 41.120 12.050 +ATOM 2454 O PHE 153 48.360 40.320 11.950 +ATOM 2455 N ARG 154 50.290 41.210 11.020 +ATOM 2456 H ARG 154 50.979 41.943 11.106 +ATOM 2457 CA ARG 154 50.220 40.460 9.750 +ATOM 2458 HA ARG 154 49.173 40.412 9.451 +ATOM 2459 CB ARG 154 51.030 41.070 8.600 +ATOM 2460 2HB ARG 154 50.807 42.136 8.567 +ATOM 2461 3HB ARG 154 52.087 40.927 8.827 +ATOM 2462 CG ARG 154 50.700 40.420 7.200 +ATOM 2463 2HG ARG 154 50.925 39.358 7.297 +ATOM 2464 3HG ARG 154 49.629 40.552 7.048 +ATOM 2465 CD ARG 154 51.480 41.010 5.970 +ATOM 2466 2HD ARG 154 51.480 40.274 5.166 +ATOM 2467 3HD ARG 154 50.975 41.916 5.633 +ATOM 2468 NE ARG 154 52.860 41.340 6.300 +ATOM 2469 HE ARG 154 52.955 42.339 6.414 +ATOM 2470 CZ ARG 154 53.950 40.560 6.500 +ATOM 2471 NH1 ARG 154 53.920 39.270 6.470 +ATOM 2472 1HH1 ARG 154 53.049 38.792 6.290 +ATOM 2473 2HH1 ARG 154 54.768 38.744 6.627 +ATOM 2474 NH2 ARG 154 55.130 41.050 6.700 +ATOM 2475 1HH2 ARG 154 55.263 42.051 6.711 +ATOM 2476 2HH2 ARG 154 55.913 40.429 6.844 +ATOM 2477 C ARG 154 50.560 38.970 10.020 +ATOM 2478 O ARG 154 49.720 38.190 9.730 +ATOM 2479 N THR 155 51.740 38.600 10.420 +ATOM 2480 H THR 155 52.341 39.336 10.761 +ATOM 2481 CA THR 155 52.250 37.260 10.400 +ATOM 2482 HA THR 155 51.912 36.824 9.460 +ATOM 2483 CB THR 155 53.780 37.090 10.500 +ATOM 2484 HB THR 155 53.938 36.013 10.549 +ATOM 2485 CG2 THR 155 54.650 37.680 9.400 +ATOM 2486 1HG2 THR 155 54.493 38.757 9.350 +ATOM 2487 2HG2 THR 155 55.699 37.476 9.616 +ATOM 2488 3HG2 THR 155 54.383 37.230 8.444 +ATOM 2489 OG1 THR 155 54.210 37.710 11.680 +ATOM 2490 1HG THR 155 55.162 37.616 11.762 +ATOM 2491 C THR 155 51.670 36.350 11.610 +ATOM 2492 O THR 155 51.550 35.160 11.610 +ATOM 2493 N GLY 156 51.180 37.060 12.620 +ATOM 2494 H GLY 156 50.893 38.019 12.484 +ATOM 2495 CA GLY 156 51.040 36.470 13.970 +ATOM 2496 2HA GLY 156 50.678 37.270 14.616 +ATOM 2497 3HA GLY 156 50.276 35.697 13.887 +ATOM 2498 C GLY 156 52.280 35.870 14.580 +ATOM 2499 O GLY 156 52.150 34.800 15.170 +ATOM 2500 N THR 157 53.470 36.480 14.390 +ATOM 2501 H THR 157 53.481 37.212 13.695 +ATOM 2502 CA THR 157 54.730 36.130 15.050 +ATOM 2503 HA THR 157 54.537 35.703 16.034 +ATOM 2504 CB THR 157 55.610 35.110 14.220 +ATOM 2505 HB THR 157 56.605 35.125 14.665 +ATOM 2506 CG2 THR 157 55.100 33.710 14.190 +ATOM 2507 1HG2 THR 157 54.105 33.695 13.745 +ATOM 2508 2HG2 THR 157 55.773 33.090 13.597 +ATOM 2509 3HG2 THR 157 55.049 33.320 15.206 +ATOM 2510 OG1 THR 157 55.800 35.470 12.880 +ATOM 2511 1HG THR 157 56.340 34.807 12.444 +ATOM 2512 C THR 157 55.570 37.380 15.350 +ATOM 2513 O THR 157 55.350 38.490 14.830 +ATOM 2514 N TRP 158 56.460 37.310 16.420 +ATOM 2515 H TRP 158 56.637 36.358 16.706 +ATOM 2516 CA TRP 158 57.200 38.430 17.140 +ATOM 2517 HA TRP 158 56.493 39.213 17.414 +ATOM 2518 CB TRP 158 57.880 37.920 18.410 +ATOM 2519 2HB TRP 158 58.553 37.101 18.155 +ATOM 2520 3HB TRP 158 58.442 38.710 18.909 +ATOM 2521 CG TRP 158 56.910 37.380 19.420 +ATOM 2522 CD1 TRP 158 56.840 36.120 19.840 +ATOM 2523 HD1 TRP 158 57.611 35.464 19.435 +ATOM 2524 NE1 TRP 158 55.780 35.910 20.720 +ATOM 2525 HE1 TRP 158 55.397 34.996 20.912 +ATOM 2526 CE2 TRP 158 55.200 37.070 21.020 +ATOM 2527 CZ2 TRP 158 54.050 37.460 21.750 +ATOM 2528 HZ2 TRP 158 53.585 36.638 22.295 +ATOM 2529 CH2 TRP 158 53.570 38.780 21.760 +ATOM 2530 HH2 TRP 158 52.658 39.091 22.270 +ATOM 2531 CZ3 TRP 158 54.330 39.750 21.060 +ATOM 2532 HZ3 TRP 158 54.176 40.820 21.201 +ATOM 2533 CE3 TRP 158 55.320 39.340 20.150 +ATOM 2534 HE3 TRP 158 55.634 40.111 19.447 +ATOM 2535 CD2 TRP 158 55.830 38.070 20.140 +ATOM 2536 C TRP 158 58.350 39.000 16.230 +ATOM 2537 O TRP 158 59.280 39.630 16.710 +ATOM 2538 N ASP 159 58.170 39.020 14.920 +ATOM 2539 H ASP 159 57.245 38.781 14.591 +ATOM 2540 CA ASP 159 59.230 39.250 13.920 +ATOM 2541 HA ASP 159 59.943 38.426 13.958 +ATOM 2542 CB ASP 159 58.660 39.340 12.500 +ATOM 2543 2HB ASP 159 57.898 40.119 12.528 +ATOM 2544 3HB ASP 159 59.445 39.625 11.799 +ATOM 2545 CG ASP 159 58.030 38.030 12.050 +ATOM 2546 OD1 ASP 159 58.580 37.380 11.170 +ATOM 2547 OD2 ASP 159 56.950 37.670 12.550 +ATOM 2548 C ASP 159 60.090 40.470 14.230 +ATOM 2549 O ASP 159 61.320 40.430 14.240 +ATOM 2550 N ALA 160 59.470 41.620 14.420 +ATOM 2551 H ALA 160 58.463 41.576 14.361 +ATOM 2552 CA ALA 160 60.070 42.870 14.620 +ATOM 2553 HA ALA 160 60.873 42.980 13.891 +ATOM 2554 CB ALA 160 59.050 43.930 14.370 +ATOM 2555 1HB ALA 160 58.244 43.838 15.098 +ATOM 2556 2HB ALA 160 59.514 44.912 14.465 +ATOM 2557 3HB ALA 160 58.645 43.816 13.364 +ATOM 2558 C ALA 160 60.690 43.030 16.000 +ATOM 2559 O ALA 160 61.340 44.050 16.260 +ATOM 2560 N TYR 161 60.360 42.120 16.950 +ATOM 2561 H TYR 161 59.730 41.373 16.694 +ATOM 2562 CA TYR 161 60.730 42.270 18.380 +ATOM 2563 HA TYR 161 61.180 43.247 18.556 +ATOM 2564 CB TYR 161 59.490 42.150 19.230 +ATOM 2565 2HB TYR 161 59.091 41.202 18.869 +ATOM 2566 3HB TYR 161 59.690 42.076 20.299 +ATOM 2567 CG TYR 161 58.480 43.250 18.980 +ATOM 2568 CD1 TYR 161 57.620 43.090 17.840 +ATOM 2569 HD1 TYR 161 57.663 42.167 17.261 +ATOM 2570 CE1 TYR 161 56.730 44.110 17.470 +ATOM 2571 HE1 TYR 161 55.999 43.993 16.670 +ATOM 2572 CZ TYR 161 56.740 45.330 18.280 +ATOM 2573 OH TYR 161 55.880 46.380 17.980 +ATOM 2574 HH TYR 161 55.320 46.201 17.221 +ATOM 2575 CE2 TYR 161 57.700 45.490 19.320 +ATOM 2576 HE2 TYR 161 57.783 46.461 19.808 +ATOM 2577 CD2 TYR 161 58.530 44.430 19.720 +ATOM 2578 HD2 TYR 161 59.185 44.546 20.584 +ATOM 2579 C TYR 161 61.870 41.340 18.770 +ATOM 2580 O TYR 161 62.560 41.620 19.760 +ATOM 2581 N LYS 162 62.070 40.200 18.030 +ATOM 2582 H LYS 162 61.477 40.074 17.222 +ATOM 2583 CA LYS 162 62.970 39.090 18.420 +ATOM 2584 HA LYS 162 63.396 39.263 19.408 +ATOM 2585 CB LYS 162 62.160 37.820 18.460 +ATOM 2586 2HB LYS 162 61.276 37.979 19.077 +ATOM 2587 3HB LYS 162 61.853 37.559 17.447 +ATOM 2588 CG LYS 162 63.010 36.660 19.060 +ATOM 2589 2HG LYS 162 63.732 36.374 18.295 +ATOM 2590 3HG LYS 162 63.538 37.073 19.920 +ATOM 2591 CD LYS 162 62.220 35.440 19.490 +ATOM 2592 2HD LYS 162 62.852 34.879 20.179 +ATOM 2593 3HD LYS 162 61.339 35.803 20.020 +ATOM 2594 CE LYS 162 61.780 34.520 18.330 +ATOM 2595 2HE LYS 162 60.797 34.093 18.530 +ATOM 2596 3HE LYS 162 61.751 35.073 17.391 +ATOM 2597 NZ LYS 162 62.790 33.420 18.230 +ATOM 2598 1HZ LYS 162 62.816 32.907 19.100 +ATOM 2599 2HZ LYS 162 62.534 32.795 17.479 +ATOM 2600 3HZ LYS 162 63.701 33.815 18.044 +ATOM 2601 C LYS 162 64.210 39.000 17.570 +ATOM 2602 O LYS 162 64.120 39.120 16.360 +ATOM 2603 OXT LYS 162 65.310 38.890 18.140 +TER +END diff --git a/src/data/T4-lysozyme-L99A-implicit/receptor.prmtop b/src/data/T4-lysozyme-L99A-implicit/receptor.prmtop new file mode 100644 index 000000000..8cf3535f9 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/receptor.prmtop @@ -0,0 +1,12077 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 06/25/09 06:55:51 +%FLAG TITLE +%FORMAT(20a4) + +%FLAG POINTERS +%FORMAT(10I8) + 2603 14 1313 1310 2969 1765 5312 3079 0 0 + 14304 162 1310 1765 3079 39 86 29 26 0 + 0 0 0 0 0 0 0 0 24 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +N H1 H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N +H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 +HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG +CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG +HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 +HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22 +HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 +HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13 +CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H +CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA2 HA3 C O +N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N +H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21 +HH22C O N H CA HA CB HB2 HB3 CG HG CD1 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000000000..2e73df812 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/setup.leap.in @@ -0,0 +1,40 @@ +# Set up complex for GBSA simulation with OBC model. + +# Load AMBER '96 forcefield for protein. +source leaprc.ff96 + +# Load GAFF parameters. +source leaprc.gaff + +# Set GB radii to recommended values for OBC. +set default PBRadii mbondi2 + +# Load in protein. +receptor = loadPdb receptor.pdb + +# Load parameters for ligand. +mods = loadAmberParams ligand.frcmod + +# Load parameters for ligand. +loadAmberParams ligand.frcmod + +# Load ligand. +ligand = loadMol2 ligand.mol2 + +# Create complex. +complex = combine { receptor ligand } + +# Check complex. +check complex + +# Report on net charge. +charge complex + +# Write parameters. +saveAmberParm ligand ligand.prmtop ligand.crd +saveAmberParm receptor receptor.prmtop receptor.crd +saveAmberParm complex complex.prmtop complex.crd + +# Exit +quit + diff --git a/src/data/T4-lysozyme-L99A-implicit/setup.leap.out b/src/data/T4-lysozyme-L99A-implicit/setup.leap.out new file mode 100644 index 000000000..48670bf93 --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/setup.leap.out @@ -0,0 +1,124 @@ +~/datasets/lysozyme_am1bcc/amber-gbsa ~/datasets/lysozyme_am1bcc/amber-gbsa +-I: Adding /Users/jchodera/local/src/amber10/dat/leap/prep to search path. +-I: Adding /Users/jchodera/local/src/amber10/dat/leap/lib to search path. +-I: Adding /Users/jchodera/local/src/amber10/dat/leap/parm to search path. +-I: Adding /Users/jchodera/local/src/amber10/dat/leap/cmd to search path. +-f: Source setup.leap.in. + +Welcome to LEaP! +(no leaprc in search path) +Sourcing: ./setup.leap.in +----- Source: /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.ff96 +----- Source of /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.ff96 done +Log file: ./leap.log +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/parm96.dat +Reading title: +PARM96 for DNA, RNA and proteins with TIP3P Water. USE SCEE=1.2 in energy progs +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_nucleic94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_amino94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminoct94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminont94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/ions94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/solvents.lib +----- Source: /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.gaff +----- Source of /Users/jchodera/local/src/amber10/dat/leap/cmd/leaprc.gaff done +Log file: ./leap.log +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/gaff.dat +Reading title: +AMBER General Force Field for organic mol., add. info. at the end (June, 2003) +Using H(N)-modified Bondi radii +Loading PDB file: ./receptor.pdb + total atoms in file: 1290 + Leap added 1313 missing atoms according to residue templates: + 1313 H / lone pairs +Loading parameters: ./ligand.frcmod +Reading force field modification type file (frcmod) +Reading title: +remark goes here +Loading parameters: ./ligand.frcmod +Reading force field modification type file (frcmod) +Reading title: +remark goes here +Loading Mol2 file: ./ligand.mol2 +Reading MOLECULE named TMP +Checking 'complex'.... +WARNING: The unperturbed charge of the unit: 8.000200 is not zero. +Warning: Close contact of 1.518782 angstroms between .R.A and .R.A +Warning: Close contact of 2.072268 angstroms between .R.A and .R.A +Checking parameters for unit 'complex'. +Checking for bond parameters. +Checking for angle parameters. +check: Warnings: 3 +Unit is OK. +Total unperturbed charge: 8.000200 +Total perturbed charge: 8.000200 +Checking Unit. +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 6 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + TMP 1 + ) + (no restraints) +Checking Unit. +WARNING: The unperturbed charge of the unit: 8.000000 is not zero. + + -- ignoring the warning. + +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 516 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + CLYS 1 + NMET 1 + ) + (no restraints) +Checking Unit. +WARNING: The unperturbed charge of the unit: 8.000200 is not zero. + + -- ignoring the warning. + +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 522 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + CLYS 1 + NMET 1 + TMP 1 + ) + (no restraints) + Quit +~/datasets/lysozyme_am1bcc/amber-gbsa \ No newline at end of file diff --git a/src/data/T4-lysozyme-L99A-implicit/testenergy.sander.in b/src/data/T4-lysozyme-L99A-implicit/testenergy.sander.in new file mode 100644 index 000000000..035b1b13e --- /dev/null +++ b/src/data/T4-lysozyme-L99A-implicit/testenergy.sander.in @@ -0,0 +1,10 @@ +Single-point energy evaluation + &cntrl + nstlim = 0, dt=0.002, + ntb=0, + igb=2, cut=999.0, rgbmax=999.0, + ntt=3, tempi=300.0, temp0=300., gamma_ln=95., + ntc=2, ntf=2, tol=0.00000001, + &end + + diff --git a/src/data/alanine-dipeptide-explicit/alanine-dipeptide.crd b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.crd new file mode 100644 index 000000000..46c6c2872 --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.crd @@ -0,0 +1,1138 @@ +ACE + 2269 + 15.9081745 11.9692554 16.0887376 15.3772539 12.8994663 15.8864236 + 14.4705674 12.9396154 16.4900842 15.1121570 12.9447762 14.8301237 + 16.2444450 14.1135468 16.2253753 17.3824473 13.9641059 16.6647591 + 15.6989683 15.3142922 16.0182746 14.7592066 15.3862303 15.6552704 + 16.4175862 16.5406327 16.2998410 16.6830859 16.5723495 17.3565355 + 17.6960364 16.6299321 15.4732728 17.4457854 16.6085548 14.4126043 + 18.2148775 17.5601067 15.7049610 18.3425233 15.7850529 15.7106183 + 15.5675811 17.7606820 15.9751026 14.4281062 17.6276186 15.5342725 + 16.1255317 18.9534919 16.1944672 17.0659732 19.0119080 16.5581383 + 15.4197488 20.1900762 15.9255217 14.4251903 19.9650242 15.5404170 + 15.3303961 20.7657892 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6.8877490 16.0919090 12.2084930 + 6.8136190 16.9954230 12.5157300 5.9856330 15.7730990 12.1807000 + 2.8866700 11.7502690 3.1720520 2.5862240 11.6267660 4.0724430 + 2.7804190 10.8911280 2.7636250 16.1175050 9.1296670 5.2223330 + 16.4883880 8.3463990 4.8159300 16.7576980 9.8185770 5.0440630 + 13.1008810 10.5133250 10.6353650 12.2868650 10.9430410 10.8979440 + 13.5083010 11.1251660 10.0222700 15.0599590 6.5049930 2.5283350 + 14.6843190 5.7377860 2.0964640 14.3302710 6.8872630 3.0158280 + 14.4499210 5.6521450 12.1622870 14.2185300 5.4234200 11.2620820 + 14.7103760 6.5721000 12.1167760 14.3350550 4.7307420 5.8290590 + 14.8588030 4.2370070 5.1980760 14.9209970 4.8657780 6.5738160 + 14.5140270 4.8147290 9.3510140 13.5642980 4.7810830 9.4655130 + 14.6953280 5.7247400 9.1159910 13.8250520 3.9880770 1.7683000 + 14.3209640 3.7551640 2.5531880 13.6266590 3.1492610 1.3520640 + 15.2537680 2.6241720 4.3020680 15.1436960 2.4697760 5.2402950 + 16.0145270 2.0962660 4.0596090 13.1584860 15.2651850 4.1621920 + 13.7543930 14.9436420 3.4856340 13.4163010 14.7923670 4.9535190 + 4.7653460 13.2529350 9.9122270 4.5244820 13.5203910 9.0252790 + 5.7056100 13.4235080 9.9673130 16.0257620 15.2723730 10.7132910 + 15.5315900 15.6692600 9.9960040 15.4170910 14.6472940 11.1070190 + 13.7097070 15.9147150 7.9919650 13.2500040 16.6662960 7.6177670 + 13.0809530 15.1953620 7.9334450 4.1392790 14.2235390 7.1667780 + 4.6557810 13.6122750 6.6416040 4.7890170 14.7264170 7.6578790 + 6.8788290 15.1143880 7.9936760 7.1666100 14.8598180 7.1169770 + 7.3911510 14.5621240 8.5842330 6.9460650 16.0359980 15.3604960 + 7.8727960 15.8004250 15.4040920 6.9311080 16.8631980 14.8790990 + 15.1805710 15.5785550 2.3579210 15.3557900 14.8923290 1.7140130 + 14.4827280 16.1032600 1.9655880 + 32.8528630 32.8616480 31.8550980 90.0000000 90.0000000 90.0000000 diff --git a/src/data/alanine-dipeptide-explicit/alanine-dipeptide.pdb b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.pdb new file mode 100644 index 000000000..4f9747cb1 --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.pdb @@ -0,0 +1,3021 @@ +REMARK ACE +ATOM 1 1HH3 ACE 1 15.908 11.969 16.089 +ATOM 2 CH3 ACE 1 15.377 12.899 15.886 +ATOM 3 2HH3 ACE 1 14.471 12.940 16.490 +ATOM 4 3HH3 ACE 1 15.112 12.945 14.830 +ATOM 5 C ACE 1 16.244 14.114 16.225 +ATOM 6 O ACE 1 17.382 13.964 16.665 +ATOM 7 N ALA 2 15.699 15.314 16.018 +ATOM 8 H ALA 2 14.759 15.386 15.655 +ATOM 9 CA ALA 2 16.418 16.541 16.300 +ATOM 10 HA ALA 2 16.683 16.572 17.357 +ATOM 11 CB ALA 2 17.696 16.630 15.473 +ATOM 12 1HB ALA 2 17.446 16.609 14.413 +ATOM 13 2HB ALA 2 18.215 17.560 15.705 +ATOM 14 3HB ALA 2 18.343 15.785 15.711 +ATOM 15 C ALA 2 15.568 17.761 15.975 +ATOM 16 O ALA 2 14.428 17.628 15.534 +ATOM 17 N NME 3 16.126 18.953 16.194 +ATOM 18 H NME 3 17.066 19.012 16.558 +ATOM 19 CH3 NME 3 15.420 20.190 15.926 +ATOM 20 1HH3 NME 3 14.425 19.965 15.540 +ATOM 21 2HH3 NME 3 15.330 20.766 16.847 +ATOM 22 3HH3 NME 3 15.972 20.771 15.187 +TER +ATOM 23 O WAT 4 28.414 24.909 23.615 +ATOM 24 H1 WAT 4 28.334 23.995 23.344 +ATOM 25 H2 WAT 4 28.001 25.406 22.909 +TER +ATOM 26 O WAT 5 26.546 26.687 25.496 +ATOM 27 H1 WAT 5 25.770 26.207 25.786 +ATOM 28 H2 WAT 5 27.197 26.008 25.321 +TER +ATOM 29 O WAT 6 20.563 26.999 26.373 +ATOM 30 H1 WAT 6 19.731 26.744 26.773 +ATOM 31 H2 WAT 6 21.171 27.070 27.109 +TER +ATOM 32 O WAT 7 18.972 21.959 20.158 +ATOM 33 H1 WAT 7 18.083 22.301 20.056 +ATOM 34 H2 WAT 7 19.256 21.760 19.266 +TER +ATOM 35 O WAT 8 16.935 24.560 26.042 +ATOM 36 H1 WAT 8 17.507 23.792 26.042 +ATOM 37 H2 WAT 8 16.935 24.859 25.132 +TER +ATOM 38 O WAT 9 25.987 29.363 25.503 +ATOM 39 H1 WAT 9 25.918 28.422 25.342 +ATOM 40 H2 WAT 9 26.749 29.453 26.075 +TER +ATOM 41 O WAT 10 18.178 19.968 27.829 +ATOM 42 H1 WAT 10 17.998 19.071 28.109 +ATOM 43 H2 WAT 10 17.776 20.516 28.503 +TER +ATOM 44 O WAT 11 27.017 22.170 25.730 +ATOM 45 H1 WAT 11 27.394 21.297 25.617 +ATOM 46 H2 WAT 11 26.919 22.506 24.839 +TER +ATOM 47 O WAT 12 21.148 20.543 21.191 +ATOM 48 H1 WAT 12 21.255 21.443 21.498 +ATOM 49 H2 WAT 12 20.237 20.494 20.901 +TER +ATOM 50 O WAT 13 18.796 22.465 26.437 +ATOM 51 H1 WAT 13 19.477 22.728 27.055 +ATOM 52 H2 WAT 13 18.481 21.625 26.771 +TER +ATOM 53 O WAT 14 22.989 23.511 25.524 +ATOM 54 H1 WAT 14 23.496 24.009 26.165 +ATOM 55 H2 WAT 14 23.520 22.735 25.348 +TER +ATOM 56 O WAT 15 21.272 18.151 29.790 +ATOM 57 H1 WAT 15 21.274 18.668 28.985 +ATOM 58 H2 WAT 15 20.443 17.674 29.767 +TER +ATOM 59 O WAT 16 27.659 28.263 21.289 +ATOM 60 H1 WAT 16 27.041 28.728 20.726 +ATOM 61 H2 WAT 16 28.172 28.956 21.706 +TER +ATOM 62 O WAT 17 22.523 27.791 27.968 +ATOM 63 H1 WAT 17 22.189 28.418 28.610 +ATOM 64 H2 WAT 17 22.699 28.317 27.188 +TER +ATOM 65 O WAT 18 20.954 19.862 27.797 +ATOM 66 H1 WAT 18 21.295 20.706 27.503 +ATOM 67 H2 WAT 18 20.015 20.011 27.914 +TER +ATOM 68 O WAT 19 21.734 29.759 29.783 +ATOM 69 H1 WAT 19 22.352 30.434 29.501 +ATOM 70 H2 WAT 19 20.874 30.168 29.691 +TER +ATOM 71 O WAT 20 17.028 28.949 18.663 +ATOM 72 H1 WAT 20 16.650 29.437 17.932 +ATOM 73 H2 WAT 20 17.285 29.621 19.294 +TER +ATOM 74 O WAT 21 24.637 17.350 24.122 +ATOM 75 H1 WAT 21 24.944 16.795 23.405 +ATOM 76 H2 WAT 21 23.707 17.485 23.939 +TER +ATOM 77 O WAT 22 29.587 27.970 27.741 +ATOM 78 H1 WAT 22 30.003 27.756 26.906 +ATOM 79 H2 WAT 22 30.311 28.227 28.312 +TER +ATOM 80 O WAT 23 27.025 25.415 20.858 +ATOM 81 H1 WAT 23 26.098 25.349 21.087 +ATOM 82 H2 WAT 23 27.177 26.353 20.743 +TER +ATOM 83 O WAT 24 27.012 21.687 17.855 +ATOM 84 H1 WAT 24 26.072 21.848 17.940 +ATOM 85 H2 WAT 24 27.330 22.406 17.308 +TER +ATOM 86 O WAT 25 31.054 26.977 21.361 +ATOM 87 H1 WAT 25 30.436 26.639 20.714 +ATOM 88 H2 WAT 25 31.037 26.333 22.069 +TER +ATOM 89 O WAT 26 30.497 23.156 28.778 +ATOM 90 H1 WAT 26 30.084 23.981 29.032 +ATOM 91 H2 WAT 26 29.765 22.570 28.586 +TER +ATOM 92 O WAT 27 22.630 25.942 23.640 +ATOM 93 H1 WAT 27 22.226 25.229 23.144 +ATOM 94 H2 WAT 27 22.717 25.597 24.529 +TER +ATOM 95 O WAT 28 23.098 29.628 25.804 +ATOM 96 H1 WAT 28 22.801 29.023 25.125 +ATOM 97 H2 WAT 28 24.048 29.666 25.693 +TER +ATOM 98 O WAT 29 21.343 22.716 27.420 +ATOM 99 H1 WAT 29 21.895 22.826 26.645 +ATOM 100 H2 WAT 29 21.858 23.090 28.135 +TER +ATOM 101 O WAT 30 29.231 26.216 18.369 +ATOM 102 H1 WAT 30 29.670 25.378 18.222 +ATOM 103 H2 WAT 30 29.944 26.849 18.455 +TER +ATOM 104 O WAT 31 19.331 24.836 21.140 +ATOM 105 H1 WAT 31 19.211 25.562 20.529 +ATOM 106 H2 WAT 31 19.021 24.067 20.663 +TER +ATOM 107 O WAT 32 16.969 28.008 26.947 +ATOM 108 H1 WAT 32 17.047 28.143 26.003 +ATOM 109 H2 WAT 32 17.583 27.299 27.140 +TER +ATOM 110 O WAT 33 18.214 29.708 23.358 +ATOM 111 H1 WAT 33 17.807 29.849 22.503 +ATOM 112 H2 WAT 33 19.105 29.424 23.155 +TER +ATOM 113 O WAT 34 17.025 29.049 29.487 +ATOM 114 H1 WAT 34 17.188 28.580 28.669 +ATOM 115 H2 WAT 34 17.490 28.542 30.152 +TER +ATOM 116 O WAT 35 21.797 18.180 24.523 +ATOM 117 H1 WAT 35 21.354 18.961 24.191 +ATOM 118 H2 WAT 35 22.356 18.503 25.230 +TER +ATOM 119 O WAT 36 24.913 17.801 19.403 +ATOM 120 H1 WAT 36 24.288 17.797 20.129 +ATOM 121 H2 WAT 36 24.826 16.934 19.007 +TER +ATOM 122 O WAT 37 23.835 18.724 26.382 +ATOM 123 H1 WAT 37 24.132 19.631 26.301 +ATOM 124 H2 WAT 37 24.383 18.236 25.768 +TER +ATOM 125 O WAT 38 21.589 23.303 22.251 +ATOM 126 H1 WAT 38 21.363 23.087 23.156 +ATOM 127 H2 WAT 38 20.808 23.736 21.906 +TER +ATOM 128 O WAT 39 28.818 23.309 20.850 +ATOM 129 H1 WAT 39 28.219 24.033 20.666 +ATOM 130 H2 WAT 39 29.366 23.247 20.068 +TER +ATOM 131 O WAT 40 27.425 21.946 22.880 +ATOM 132 H1 WAT 40 27.818 22.263 22.067 +ATOM 133 H2 WAT 40 27.787 21.067 22.995 +TER +ATOM 134 O WAT 41 16.461 18.536 25.103 +ATOM 135 H1 WAT 41 16.173 19.106 25.816 +ATOM 136 H2 WAT 41 17.206 18.056 25.467 +TER +ATOM 137 O WAT 42 28.010 24.536 26.975 +ATOM 138 H1 WAT 42 27.278 25.045 27.324 +ATOM 139 H2 WAT 42 27.613 23.719 26.674 +TER +ATOM 140 O WAT 43 24.448 21.212 25.381 +ATOM 141 H1 WAT 43 24.452 20.771 24.531 +ATOM 142 H2 WAT 43 25.343 21.534 25.488 +TER +ATOM 143 O WAT 44 20.298 21.094 24.340 +ATOM 144 H1 WAT 44 19.958 21.572 25.097 +ATOM 145 H2 WAT 44 19.536 20.641 23.980 +TER +ATOM 146 O WAT 45 24.510 22.213 18.371 +ATOM 147 H1 WAT 45 24.631 22.172 19.320 +ATOM 148 H2 WAT 45 24.125 23.075 18.216 +TER +ATOM 149 O WAT 46 28.473 19.990 26.388 +ATOM 150 H1 WAT 46 28.490 20.441 27.232 +ATOM 151 H2 WAT 46 28.224 19.090 26.601 +TER +ATOM 152 O WAT 47 23.522 24.523 17.770 +ATOM 153 H1 WAT 47 22.954 24.075 17.143 +ATOM 154 H2 WAT 47 24.231 24.882 17.236 +TER +ATOM 155 O WAT 48 24.749 25.272 27.127 +ATOM 156 H1 WAT 48 25.116 24.798 27.873 +ATOM 157 H2 WAT 48 24.559 26.146 27.468 +TER +ATOM 158 O WAT 49 17.613 20.016 23.257 +ATOM 159 H1 WAT 49 17.328 19.652 24.094 +ATOM 160 H2 WAT 49 17.551 19.284 22.643 +TER +ATOM 161 O WAT 50 22.539 24.313 29.446 +ATOM 162 H1 WAT 50 22.235 25.192 29.671 +ATOM 163 H2 WAT 50 23.493 24.373 29.481 +TER +ATOM 164 O WAT 51 21.067 28.519 20.042 +ATOM 165 H1 WAT 51 20.293 27.979 19.882 +ATOM 166 H2 WAT 51 21.796 28.000 19.704 +TER +ATOM 167 O WAT 52 27.287 18.909 19.978 +ATOM 168 H1 WAT 52 26.473 18.411 19.902 +ATOM 169 H2 WAT 52 27.093 19.749 19.562 +TER +ATOM 170 O WAT 53 30.002 23.281 18.274 +ATOM 171 H1 WAT 53 30.890 23.593 18.099 +ATOM 172 H2 WAT 53 29.972 22.408 17.882 +TER +ATOM 173 O WAT 54 21.111 28.187 23.680 +ATOM 174 H1 WAT 54 21.629 27.384 23.626 +ATOM 175 H2 WAT 54 20.659 28.125 24.522 +TER +ATOM 176 O WAT 55 25.998 29.454 18.953 +ATOM 177 H1 WAT 55 26.339 30.198 18.457 +ATOM 178 H2 WAT 55 25.169 29.767 19.315 +TER +ATOM 179 O WAT 56 28.880 28.775 24.318 +ATOM 180 H1 WAT 56 29.233 28.178 23.658 +ATOM 181 H2 WAT 56 27.997 28.450 24.488 +TER +ATOM 182 O WAT 57 24.967 29.535 21.725 +ATOM 183 H1 WAT 57 25.654 30.082 22.105 +ATOM 184 H2 WAT 57 24.180 30.079 21.760 +TER +ATOM 185 O WAT 58 17.106 25.152 17.216 +ATOM 186 H1 WAT 58 17.975 25.435 17.500 +ATOM 187 H2 WAT 58 16.615 25.966 17.101 +TER +ATOM 188 O WAT 59 24.269 26.540 21.337 +ATOM 189 H1 WAT 59 24.726 27.350 21.563 +ATOM 190 H2 WAT 59 23.918 26.222 22.169 +TER +ATOM 191 O WAT 60 20.171 16.883 21.809 +ATOM 192 H1 WAT 60 20.042 16.875 22.758 +ATOM 193 H2 WAT 60 19.347 17.222 21.458 +TER +ATOM 194 O WAT 61 27.846 30.053 27.284 +ATOM 195 H1 WAT 61 28.488 29.353 27.397 +ATOM 196 H2 WAT 61 28.371 30.833 27.104 +TER +ATOM 197 O WAT 62 19.091 26.970 19.344 +ATOM 198 H1 WAT 62 18.483 27.709 19.354 +ATOM 199 H2 WAT 62 19.566 27.059 18.518 +TER +ATOM 200 O WAT 63 28.664 21.135 29.020 +ATOM 201 H1 WAT 63 29.032 20.314 29.348 +ATOM 202 H2 WAT 63 27.804 21.195 29.436 +TER +ATOM 203 O WAT 64 23.999 22.369 21.245 +ATOM 204 H1 WAT 64 23.290 22.838 21.686 +ATOM 205 H2 WAT 64 24.283 21.711 21.879 +TER +ATOM 206 O WAT 65 25.624 23.789 29.244 +ATOM 207 H1 WAT 65 26.123 24.263 29.909 +ATOM 208 H2 WAT 65 25.766 22.865 29.451 +TER +ATOM 209 O WAT 66 28.030 19.094 22.684 +ATOM 210 H1 WAT 66 27.907 19.113 21.735 +ATOM 211 H2 WAT 66 28.979 19.142 22.804 +TER +ATOM 212 O WAT 67 22.202 20.677 18.620 +ATOM 213 H1 WAT 67 23.051 21.114 18.554 +ATOM 214 H2 WAT 67 21.835 20.989 19.447 +TER +ATOM 215 O WAT 68 21.101 26.931 17.093 +ATOM 216 H1 WAT 68 21.867 26.819 17.656 +ATOM 217 H2 WAT 68 21.179 26.234 16.441 +TER +ATOM 218 O WAT 69 19.796 24.363 17.777 +ATOM 219 H1 WAT 69 19.876 23.416 17.888 +ATOM 220 H2 WAT 69 20.688 24.694 17.883 +TER +ATOM 221 O WAT 70 24.225 28.906 16.567 +ATOM 222 H1 WAT 70 24.120 28.291 17.293 +ATOM 223 H2 WAT 70 24.058 28.383 15.783 +TER +ATOM 224 O WAT 71 27.466 27.968 17.171 +ATOM 225 H1 WAT 71 26.917 28.415 17.815 +ATOM 226 H2 WAT 71 28.087 27.463 17.695 +TER +ATOM 227 O WAT 72 23.133 26.927 19.068 +ATOM 228 H1 WAT 72 23.555 26.761 19.911 +ATOM 229 H2 WAT 72 23.258 26.117 18.573 +TER +ATOM 230 O WAT 73 25.646 25.951 16.315 +ATOM 231 H1 WAT 73 26.166 25.236 15.949 +ATOM 232 H2 WAT 73 26.293 26.590 16.615 +TER +ATOM 233 O WAT 74 24.549 18.430 28.987 +ATOM 234 H1 WAT 74 24.101 18.453 28.142 +ATOM 235 H2 WAT 74 23.916 18.032 29.584 +TER +ATOM 236 O WAT 75 24.955 27.326 29.608 +ATOM 237 H1 WAT 75 25.374 28.169 29.436 +ATOM 238 H2 WAT 75 24.036 27.463 29.379 +TER +ATOM 239 O WAT 76 29.630 25.611 29.568 +ATOM 240 H1 WAT 76 29.104 26.135 28.965 +ATOM 241 H2 WAT 76 29.973 26.244 30.199 +TER +ATOM 242 O WAT 77 22.029 23.001 16.013 +ATOM 243 H1 WAT 77 21.828 22.137 16.375 +ATOM 244 H2 WAT 77 21.858 22.914 15.076 +TER +ATOM 245 O WAT 78 29.508 17.811 18.542 +ATOM 246 H1 WAT 78 29.788 16.968 18.898 +ATOM 247 H2 WAT 78 28.734 18.044 19.056 +TER +ATOM 248 O WAT 79 20.827 20.101 16.001 +ATOM 249 H1 WAT 79 21.130 20.107 15.093 +ATOM 250 H2 WAT 79 21.567 19.750 16.498 +TER +ATOM 251 O WAT 80 24.046 19.044 16.987 +ATOM 252 H1 WAT 80 23.698 18.366 16.407 +ATOM 253 H2 WAT 80 24.247 18.583 17.801 +TER +ATOM 254 O WAT 81 19.850 29.405 16.834 +ATOM 255 H1 WAT 81 20.288 29.948 17.490 +ATOM 256 H2 WAT 81 20.335 28.580 16.844 +TER +ATOM 257 O WAT 82 21.661 30.525 21.946 +ATOM 258 H1 WAT 82 21.361 30.401 22.847 +ATOM 259 H2 WAT 82 21.555 29.665 21.538 +TER +ATOM 260 O WAT 83 17.386 25.573 23.383 +ATOM 261 H1 WAT 83 16.731 25.304 22.739 +ATOM 262 H2 WAT 83 18.224 25.463 22.933 +TER +ATOM 263 O WAT 84 30.335 20.367 17.605 +ATOM 264 H1 WAT 84 30.754 20.180 16.765 +ATOM 265 H2 WAT 84 30.029 19.515 17.915 +TER +ATOM 266 O WAT 85 18.424 25.958 27.924 +ATOM 267 H1 WAT 85 18.791 25.871 28.803 +ATOM 268 H2 WAT 85 17.855 25.195 27.824 +TER +ATOM 269 O WAT 86 16.600 22.783 19.326 +ATOM 270 H1 WAT 86 15.697 23.046 19.151 +ATOM 271 H2 WAT 86 17.084 23.054 18.546 +TER +ATOM 272 O WAT 87 19.143 21.839 17.235 +ATOM 273 H1 WAT 87 19.852 21.418 16.750 +ATOM 274 H2 WAT 87 18.427 21.907 16.604 +TER +ATOM 275 O WAT 88 18.479 17.144 26.178 +ATOM 276 H1 WAT 88 19.127 16.594 25.737 +ATOM 277 H2 WAT 88 18.900 17.398 26.999 +TER +ATOM 278 O WAT 89 18.233 17.299 28.920 +ATOM 279 H1 WAT 89 17.884 17.756 29.686 +ATOM 280 H2 WAT 89 17.901 16.405 29.003 +TER +ATOM 281 O WAT 90 29.123 16.711 28.408 +ATOM 282 H1 WAT 90 28.249 17.044 28.206 +ATOM 283 H2 WAT 90 29.014 16.238 29.234 +TER +ATOM 284 O WAT 91 30.031 18.918 29.793 +ATOM 285 H1 WAT 91 29.702 18.103 29.413 +ATOM 286 H2 WAT 91 30.979 18.875 29.669 +TER +ATOM 287 O WAT 92 26.871 17.628 27.348 +ATOM 288 H1 WAT 92 26.088 18.102 27.627 +ATOM 289 H2 WAT 92 26.577 16.723 27.239 +TER +ATOM 290 O WAT 93 18.215 17.933 19.869 +ATOM 291 H1 WAT 93 18.973 18.045 19.295 +ATOM 292 H2 WAT 93 17.753 18.769 19.823 +TER +ATOM 293 O WAT 94 24.756 20.046 22.859 +ATOM 294 H1 WAT 94 23.944 19.672 22.519 +ATOM 295 H2 WAT 94 25.260 19.291 23.161 +TER +ATOM 296 O WAT 95 29.259 16.711 24.098 +ATOM 297 H1 WAT 95 29.862 17.283 24.572 +ATOM 298 H2 WAT 95 28.518 17.275 23.875 +TER +ATOM 299 O WAT 96 20.587 18.459 18.409 +ATOM 300 H1 WAT 96 21.117 17.672 18.280 +ATOM 301 H2 WAT 96 21.220 19.138 18.643 +TER +ATOM 302 O WAT 97 22.781 18.196 21.464 +ATOM 303 H1 WAT 97 22.151 17.495 21.631 +ATOM 304 H2 WAT 97 22.242 18.957 21.247 +TER +ATOM 305 O WAT 98 28.414 24.909 4.841 +ATOM 306 H1 WAT 98 28.334 23.995 4.570 +ATOM 307 H2 WAT 98 28.001 25.406 4.135 +TER +ATOM 308 O WAT 99 26.546 26.687 6.721 +ATOM 309 H1 WAT 99 25.770 26.207 7.011 +ATOM 310 H2 WAT 99 27.197 26.008 6.547 +TER +ATOM 311 O WAT 100 20.563 26.999 7.599 +ATOM 312 H1 WAT 100 19.731 26.744 7.999 +ATOM 313 H2 WAT 100 21.171 27.070 8.335 +TER +ATOM 314 O WAT 101 16.935 24.560 7.267 +ATOM 315 H1 WAT 101 17.507 23.792 7.268 +ATOM 316 H2 WAT 101 16.935 24.859 6.358 +TER +ATOM 317 O WAT 102 25.987 29.363 6.728 +ATOM 318 H1 WAT 102 25.918 28.422 6.567 +ATOM 319 H2 WAT 102 26.749 29.453 7.301 +TER +ATOM 320 O WAT 103 18.178 19.968 9.054 +ATOM 321 H1 WAT 103 17.998 19.071 9.334 +ATOM 322 H2 WAT 103 17.776 20.516 9.729 +TER +ATOM 323 O WAT 104 27.017 22.170 6.955 +ATOM 324 H1 WAT 104 27.394 21.297 6.843 +ATOM 325 H2 WAT 104 26.919 22.506 6.064 +TER +ATOM 326 O WAT 105 21.148 20.543 2.417 +ATOM 327 H1 WAT 105 21.255 21.443 2.724 +ATOM 328 H2 WAT 105 20.237 20.494 2.127 +TER +ATOM 329 O WAT 106 18.796 22.465 7.662 +ATOM 330 H1 WAT 106 19.477 22.728 8.281 +ATOM 331 H2 WAT 106 18.481 21.625 7.996 +TER +ATOM 332 O WAT 107 22.989 23.511 6.750 +ATOM 333 H1 WAT 107 23.496 24.009 7.390 +ATOM 334 H2 WAT 107 23.520 22.735 6.574 +TER +ATOM 335 O WAT 108 21.272 18.151 11.016 +ATOM 336 H1 WAT 108 21.274 18.668 10.211 +ATOM 337 H2 WAT 108 20.443 17.674 10.993 +TER +ATOM 338 O WAT 109 27.659 28.263 2.515 +ATOM 339 H1 WAT 109 27.041 28.728 1.951 +ATOM 340 H2 WAT 109 28.172 28.956 2.932 +TER +ATOM 341 O WAT 110 22.523 27.791 9.193 +ATOM 342 H1 WAT 110 22.189 28.418 9.835 +ATOM 343 H2 WAT 110 22.699 28.317 8.414 +TER +ATOM 344 O WAT 111 20.954 19.862 9.023 +ATOM 345 H1 WAT 111 21.295 20.706 8.728 +ATOM 346 H2 WAT 111 20.015 20.011 9.140 +TER +ATOM 347 O WAT 112 21.734 29.759 11.008 +ATOM 348 H1 WAT 112 22.352 30.434 10.727 +ATOM 349 H2 WAT 112 20.874 30.168 10.917 +TER +ATOM 350 O WAT 113 24.637 17.350 5.347 +ATOM 351 H1 WAT 113 24.944 16.795 4.631 +ATOM 352 H2 WAT 113 23.707 17.485 5.165 +TER +ATOM 353 O WAT 114 29.587 27.970 8.967 +ATOM 354 H1 WAT 114 30.003 27.756 8.132 +ATOM 355 H2 WAT 114 30.311 28.227 9.537 +TER +ATOM 356 O WAT 115 27.025 25.415 2.084 +ATOM 357 H1 WAT 115 26.098 25.349 2.312 +ATOM 358 H2 WAT 115 27.177 26.353 1.969 +TER +ATOM 359 O WAT 116 31.054 26.977 2.587 +ATOM 360 H1 WAT 116 30.436 26.639 1.940 +ATOM 361 H2 WAT 116 31.037 26.333 3.295 +TER +ATOM 362 O WAT 117 30.497 23.156 10.004 +ATOM 363 H1 WAT 117 30.084 23.981 10.258 +ATOM 364 H2 WAT 117 29.765 22.570 9.811 +TER +ATOM 365 O WAT 118 22.630 25.942 4.865 +ATOM 366 H1 WAT 118 22.226 25.229 4.370 +ATOM 367 H2 WAT 118 22.717 25.597 5.754 +TER +ATOM 368 O WAT 119 23.098 29.628 7.029 +ATOM 369 H1 WAT 119 22.801 29.023 6.350 +ATOM 370 H2 WAT 119 24.048 29.666 6.918 +TER +ATOM 371 O WAT 120 21.343 22.716 8.645 +ATOM 372 H1 WAT 120 21.895 22.826 7.871 +ATOM 373 H2 WAT 120 21.858 23.090 9.361 +TER +ATOM 374 O WAT 121 22.190 29.367 13.680 +ATOM 375 H1 WAT 121 21.293 29.591 13.928 +ATOM 376 H2 WAT 121 22.216 29.490 12.731 +TER +ATOM 377 O WAT 122 21.017 26.238 12.256 +ATOM 378 H1 WAT 122 20.878 27.110 12.625 +ATOM 379 H2 WAT 122 20.136 25.895 12.111 +TER +ATOM 380 O WAT 123 19.331 24.836 2.366 +ATOM 381 H1 WAT 123 19.211 25.562 1.754 +ATOM 382 H2 WAT 123 19.021 24.067 1.889 +TER +ATOM 383 O WAT 124 16.969 28.008 8.173 +ATOM 384 H1 WAT 124 17.047 28.143 7.229 +ATOM 385 H2 WAT 124 17.583 27.299 8.366 +TER +ATOM 386 O WAT 125 18.214 29.708 4.584 +ATOM 387 H1 WAT 125 17.807 29.849 3.729 +ATOM 388 H2 WAT 125 19.105 29.424 4.381 +TER +ATOM 389 O WAT 126 17.025 29.049 10.712 +ATOM 390 H1 WAT 126 17.188 28.580 9.894 +ATOM 391 H2 WAT 126 17.490 28.542 11.377 +TER +ATOM 392 O WAT 127 21.797 18.180 5.749 +ATOM 393 H1 WAT 127 21.354 18.961 5.417 +ATOM 394 H2 WAT 127 22.356 18.503 6.456 +TER +ATOM 395 O WAT 128 26.084 21.047 11.352 +ATOM 396 H1 WAT 128 25.622 21.255 12.164 +ATOM 397 H2 WAT 128 25.682 20.233 11.049 +TER +ATOM 398 O WAT 129 31.085 22.267 12.482 +ATOM 399 H1 WAT 129 30.234 21.968 12.803 +ATOM 400 H2 WAT 129 30.925 22.512 11.570 +TER +ATOM 401 O WAT 130 28.180 23.768 14.582 +ATOM 402 H1 WAT 130 28.505 22.934 14.242 +ATOM 403 H2 WAT 130 28.968 24.291 14.729 +TER +ATOM 404 O WAT 131 23.835 18.724 7.607 +ATOM 405 H1 WAT 131 24.132 19.631 7.527 +ATOM 406 H2 WAT 131 24.383 18.236 6.993 +TER +ATOM 407 O WAT 132 21.589 23.303 3.477 +ATOM 408 H1 WAT 132 21.363 23.087 4.381 +ATOM 409 H2 WAT 132 20.808 23.736 3.131 +TER +ATOM 410 O WAT 133 28.818 23.309 2.076 +ATOM 411 H1 WAT 133 28.219 24.033 1.892 +ATOM 412 H2 WAT 133 29.366 23.247 1.293 +TER +ATOM 413 O WAT 134 24.028 24.202 14.143 +ATOM 414 H1 WAT 134 23.933 23.261 13.993 +ATOM 415 H2 WAT 134 24.872 24.423 13.747 +TER +ATOM 416 O WAT 135 27.425 21.946 4.106 +ATOM 417 H1 WAT 135 27.818 22.263 3.293 +ATOM 418 H2 WAT 135 27.787 21.067 4.220 +TER +ATOM 419 O WAT 136 19.160 20.613 12.296 +ATOM 420 H1 WAT 136 18.766 21.461 12.503 +ATOM 421 H2 WAT 136 18.471 19.976 12.487 +TER +ATOM 422 O WAT 137 25.734 20.697 15.366 +ATOM 423 H1 WAT 137 25.044 20.504 16.000 +ATOM 424 H2 WAT 137 26.477 20.980 15.898 +TER +ATOM 425 O WAT 138 16.461 18.536 6.329 +ATOM 426 H1 WAT 138 16.173 19.106 7.042 +ATOM 427 H2 WAT 138 17.206 18.056 6.692 +TER +ATOM 428 O WAT 139 28.010 24.536 8.201 +ATOM 429 H1 WAT 139 27.278 25.045 8.550 +ATOM 430 H2 WAT 139 27.613 23.719 7.900 +TER +ATOM 431 O WAT 140 24.448 21.212 6.606 +ATOM 432 H1 WAT 140 24.452 20.771 5.757 +ATOM 433 H2 WAT 140 25.343 21.534 6.714 +TER +ATOM 434 O WAT 141 20.298 21.094 5.566 +ATOM 435 H1 WAT 141 19.958 21.572 6.322 +ATOM 436 H2 WAT 141 19.536 20.641 5.206 +TER +ATOM 437 O WAT 142 28.473 19.990 7.613 +ATOM 438 H1 WAT 142 28.490 20.441 8.458 +ATOM 439 H2 WAT 142 28.224 19.090 7.827 +TER +ATOM 440 O WAT 143 18.599 28.424 12.872 +ATOM 441 H1 WAT 143 18.215 27.784 13.470 +ATOM 442 H2 WAT 143 18.910 29.128 13.442 +TER +ATOM 443 O WAT 144 24.749 25.272 8.353 +ATOM 444 H1 WAT 144 25.116 24.798 9.099 +ATOM 445 H2 WAT 144 24.559 26.146 8.694 +TER +ATOM 446 O WAT 145 17.613 20.016 4.482 +ATOM 447 H1 WAT 145 17.328 19.652 5.320 +ATOM 448 H2 WAT 145 17.551 19.284 3.869 +TER +ATOM 449 O WAT 146 22.539 24.313 10.671 +ATOM 450 H1 WAT 146 22.235 25.192 10.896 +ATOM 451 H2 WAT 146 23.493 24.373 10.707 +TER +ATOM 452 O WAT 147 27.208 27.586 12.948 +ATOM 453 H1 WAT 147 27.141 26.666 12.693 +ATOM 454 H2 WAT 147 26.578 27.684 13.662 +TER +ATOM 455 O WAT 148 21.111 28.187 4.906 +ATOM 456 H1 WAT 148 21.629 27.384 4.852 +ATOM 457 H2 WAT 148 20.659 28.125 5.748 +TER +ATOM 458 O WAT 149 18.595 25.153 11.818 +ATOM 459 H1 WAT 149 18.237 25.818 12.406 +ATOM 460 H2 WAT 149 18.301 24.321 12.190 +TER +ATOM 461 O WAT 150 21.796 25.612 14.702 +ATOM 462 H1 WAT 150 21.497 25.757 13.805 +ATOM 463 H2 WAT 150 22.568 25.052 14.610 +TER +ATOM 464 O WAT 151 27.139 30.408 12.698 +ATOM 465 H1 WAT 151 27.154 29.477 12.480 +ATOM 466 H2 WAT 151 26.432 30.494 13.337 +TER +ATOM 467 O WAT 152 28.880 28.775 5.543 +ATOM 468 H1 WAT 152 29.233 28.178 4.883 +ATOM 469 H2 WAT 152 27.997 28.450 5.714 +TER +ATOM 470 O WAT 153 24.967 29.535 2.950 +ATOM 471 H1 WAT 153 25.654 30.082 3.331 +ATOM 472 H2 WAT 153 24.180 30.079 2.985 +TER +ATOM 473 O WAT 154 24.269 26.540 2.563 +ATOM 474 H1 WAT 154 24.726 27.350 2.789 +ATOM 475 H2 WAT 154 23.918 26.222 3.395 +TER +ATOM 476 O WAT 155 20.171 16.883 3.035 +ATOM 477 H1 WAT 155 20.042 16.875 3.983 +ATOM 478 H2 WAT 155 19.347 17.222 2.684 +TER +ATOM 479 O WAT 156 27.846 30.053 8.510 +ATOM 480 H1 WAT 156 28.488 29.353 8.623 +ATOM 481 H2 WAT 156 28.371 30.833 8.329 +TER +ATOM 482 O WAT 157 28.664 21.135 10.246 +ATOM 483 H1 WAT 157 29.032 20.314 10.574 +ATOM 484 H2 WAT 157 27.804 21.195 10.661 +TER +ATOM 485 O WAT 158 23.999 22.369 2.470 +ATOM 486 H1 WAT 158 23.290 22.838 2.912 +ATOM 487 H2 WAT 158 24.283 21.711 3.105 +TER +ATOM 488 O WAT 159 25.624 23.789 10.470 +ATOM 489 H1 WAT 159 26.123 24.263 11.135 +ATOM 490 H2 WAT 159 25.766 22.865 10.677 +TER +ATOM 491 O WAT 160 28.030 19.094 3.910 +ATOM 492 H1 WAT 160 27.907 19.113 2.961 +ATOM 493 H2 WAT 160 28.979 19.142 4.030 +TER +ATOM 494 O WAT 161 28.440 29.805 15.242 +ATOM 495 H1 WAT 161 27.833 29.828 14.501 +ATOM 496 H2 WAT 161 28.135 29.074 15.779 +TER +ATOM 497 O WAT 162 17.323 26.185 14.238 +ATOM 498 H1 WAT 162 17.827 25.605 14.810 +ATOM 499 H2 WAT 162 16.584 26.469 14.776 +TER +ATOM 500 O WAT 163 24.377 27.592 13.771 +ATOM 501 H1 WAT 163 23.611 28.160 13.687 +ATOM 502 H2 WAT 163 24.558 27.299 12.878 +TER +ATOM 503 O WAT 164 19.355 24.328 15.133 +ATOM 504 H1 WAT 164 19.396 24.029 16.041 +ATOM 505 H2 WAT 164 20.210 24.728 14.974 +TER +ATOM 506 O WAT 165 21.296 22.907 13.100 +ATOM 507 H1 WAT 165 20.765 22.416 12.473 +ATOM 508 H2 WAT 165 21.965 23.335 12.566 +TER +ATOM 509 O WAT 166 30.194 27.374 12.864 +ATOM 510 H1 WAT 166 30.608 27.528 13.714 +ATOM 511 H2 WAT 166 29.259 27.499 13.027 +TER +ATOM 512 O WAT 167 21.783 19.873 13.180 +ATOM 513 H1 WAT 167 21.689 19.255 12.455 +ATOM 514 H2 WAT 167 21.203 20.600 12.953 +TER +ATOM 515 O WAT 168 24.549 18.430 10.213 +ATOM 516 H1 WAT 168 24.101 18.453 9.367 +ATOM 517 H2 WAT 168 23.916 18.032 10.810 +TER +ATOM 518 O WAT 169 24.955 27.326 10.834 +ATOM 519 H1 WAT 169 25.374 28.169 10.662 +ATOM 520 H2 WAT 169 24.036 27.463 10.605 +TER +ATOM 521 O WAT 170 27.292 25.057 12.218 +ATOM 522 H1 WAT 170 27.411 24.462 12.957 +ATOM 523 H2 WAT 170 28.151 25.094 11.798 +TER +ATOM 524 O WAT 171 29.630 25.611 10.794 +ATOM 525 H1 WAT 171 29.104 26.135 10.191 +ATOM 526 H2 WAT 171 29.973 26.244 11.425 +TER +ATOM 527 O WAT 172 24.058 21.600 13.475 +ATOM 528 H1 WAT 172 24.648 21.291 14.163 +ATOM 529 H2 WAT 172 23.240 21.128 13.631 +TER +ATOM 530 O WAT 173 28.878 21.216 13.709 +ATOM 531 H1 WAT 173 28.189 20.554 13.644 +ATOM 532 H2 WAT 173 29.598 20.770 14.154 +TER +ATOM 533 O WAT 174 21.661 30.525 3.172 +ATOM 534 H1 WAT 174 21.361 30.401 4.072 +ATOM 535 H2 WAT 174 21.555 29.665 2.764 +TER +ATOM 536 O WAT 175 17.386 25.573 4.609 +ATOM 537 H1 WAT 175 16.731 25.304 3.965 +ATOM 538 H2 WAT 175 18.224 25.463 4.159 +TER +ATOM 539 O WAT 176 18.424 25.958 9.149 +ATOM 540 H1 WAT 176 18.791 25.871 10.029 +ATOM 541 H2 WAT 176 17.855 25.195 9.050 +TER +ATOM 542 O WAT 177 17.975 22.869 13.055 +ATOM 543 H1 WAT 177 17.081 22.836 13.394 +ATOM 544 H2 WAT 177 18.515 23.068 13.820 +TER +ATOM 545 O WAT 178 18.479 17.144 7.403 +ATOM 546 H1 WAT 178 19.127 16.594 6.963 +ATOM 547 H2 WAT 178 18.900 17.398 8.225 +TER +ATOM 548 O WAT 179 18.233 17.299 10.146 +ATOM 549 H1 WAT 179 17.884 17.756 10.912 +ATOM 550 H2 WAT 179 17.901 16.405 10.228 +TER +ATOM 551 O WAT 180 25.745 18.491 13.668 +ATOM 552 H1 WAT 180 25.684 19.083 14.417 +ATOM 553 H2 WAT 180 26.685 18.383 13.523 +TER +ATOM 554 O WAT 181 28.383 18.148 13.307 +ATOM 555 H1 WAT 181 28.997 18.465 12.645 +ATOM 556 H2 WAT 181 28.928 17.662 13.927 +TER +ATOM 557 O WAT 182 29.123 16.711 9.634 +ATOM 558 H1 WAT 182 28.249 17.044 9.431 +ATOM 559 H2 WAT 182 29.014 16.238 10.459 +TER +ATOM 560 O WAT 183 30.031 18.918 11.018 +ATOM 561 H1 WAT 183 29.702 18.103 10.638 +ATOM 562 H2 WAT 183 30.979 18.875 10.895 +TER +ATOM 563 O WAT 184 26.871 17.628 8.573 +ATOM 564 H1 WAT 184 26.088 18.102 8.853 +ATOM 565 H2 WAT 184 26.577 16.723 8.465 +TER +ATOM 566 O WAT 185 24.756 20.046 4.085 +ATOM 567 H1 WAT 185 23.944 19.672 3.745 +ATOM 568 H2 WAT 185 25.260 19.291 4.387 +TER +ATOM 569 O WAT 186 29.259 16.711 5.323 +ATOM 570 H1 WAT 186 29.862 17.283 5.798 +ATOM 571 H2 WAT 186 28.518 17.275 5.101 +TER +ATOM 572 O WAT 187 22.781 18.196 2.689 +ATOM 573 H1 WAT 187 22.151 17.495 2.856 +ATOM 574 H2 WAT 187 22.242 18.957 2.473 +TER +ATOM 575 O WAT 188 22.907 17.475 15.125 +ATOM 576 H1 WAT 188 22.625 17.978 14.361 +ATOM 577 H2 WAT 188 23.289 16.677 14.759 +TER +ATOM 578 O WAT 189 29.508 16.890 15.703 +ATOM 579 H1 WAT 189 29.395 17.210 16.598 +ATOM 580 H2 WAT 189 30.325 17.291 15.406 +TER +ATOM 581 O WAT 190 28.414 6.135 23.615 +ATOM 582 H1 WAT 190 28.334 5.221 23.344 +ATOM 583 H2 WAT 190 28.001 6.632 22.909 +TER +ATOM 584 O WAT 191 26.546 7.913 25.496 +ATOM 585 H1 WAT 191 25.770 7.433 25.786 +ATOM 586 H2 WAT 191 27.197 7.234 25.321 +TER +ATOM 587 O WAT 192 20.563 8.225 26.373 +ATOM 588 H1 WAT 192 19.731 7.970 26.773 +ATOM 589 H2 WAT 192 21.171 8.296 27.109 +TER +ATOM 590 O WAT 193 20.543 12.259 26.569 +ATOM 591 H1 WAT 193 20.845 11.369 26.390 +ATOM 592 H2 WAT 193 21.287 12.816 26.341 +TER +ATOM 593 O WAT 194 18.972 3.185 20.158 +ATOM 594 H1 WAT 194 18.083 3.527 20.056 +ATOM 595 H2 WAT 194 19.256 2.985 19.266 +TER +ATOM 596 O WAT 195 16.935 5.786 26.042 +ATOM 597 H1 WAT 195 17.507 5.018 26.042 +ATOM 598 H2 WAT 195 16.935 6.085 25.132 +TER +ATOM 599 O WAT 196 26.793 14.605 23.896 +ATOM 600 H1 WAT 196 26.174 15.061 23.326 +ATOM 601 H2 WAT 196 27.648 14.760 23.495 +TER +ATOM 602 O WAT 197 25.987 10.589 25.503 +ATOM 603 H1 WAT 197 25.918 9.648 25.342 +ATOM 604 H2 WAT 197 26.749 10.679 26.075 +TER +ATOM 605 O WAT 198 27.017 3.396 25.730 +ATOM 606 H1 WAT 198 27.394 2.523 25.617 +ATOM 607 H2 WAT 198 26.919 3.732 24.839 +TER +ATOM 608 O WAT 199 21.148 1.768 21.191 +ATOM 609 H1 WAT 199 21.255 2.669 21.498 +ATOM 610 H2 WAT 199 20.237 1.720 20.901 +TER +ATOM 611 O WAT 200 18.796 3.690 26.437 +ATOM 612 H1 WAT 200 19.477 3.954 27.055 +ATOM 613 H2 WAT 200 18.481 2.850 26.771 +TER +ATOM 614 O WAT 201 22.989 4.737 25.524 +ATOM 615 H1 WAT 201 23.496 5.235 26.165 +ATOM 616 H2 WAT 201 23.520 3.960 25.348 +TER +ATOM 617 O WAT 202 27.659 9.489 21.289 +ATOM 618 H1 WAT 202 27.041 9.954 20.726 +ATOM 619 H2 WAT 202 28.172 10.181 21.706 +TER +ATOM 620 O WAT 203 22.523 9.016 27.968 +ATOM 621 H1 WAT 203 22.189 9.643 28.610 +ATOM 622 H2 WAT 203 22.699 9.542 27.188 +TER +ATOM 623 O WAT 204 21.734 10.984 29.783 +ATOM 624 H1 WAT 204 22.352 11.659 29.501 +ATOM 625 H2 WAT 204 20.874 11.393 29.691 +TER +ATOM 626 O WAT 205 30.188 14.293 26.413 +ATOM 627 H1 WAT 205 30.201 13.889 25.545 +ATOM 628 H2 WAT 205 29.636 15.067 26.309 +TER +ATOM 629 O WAT 206 29.587 9.196 27.741 +ATOM 630 H1 WAT 206 30.003 8.982 26.906 +ATOM 631 H2 WAT 206 30.311 9.453 28.312 +TER +ATOM 632 O WAT 207 27.025 6.641 20.858 +ATOM 633 H1 WAT 207 26.098 6.575 21.087 +ATOM 634 H2 WAT 207 27.177 7.579 20.743 +TER +ATOM 635 O WAT 208 27.012 2.913 17.855 +ATOM 636 H1 WAT 208 26.072 3.074 17.940 +ATOM 637 H2 WAT 208 27.330 3.631 17.308 +TER +ATOM 638 O WAT 209 31.054 8.203 21.361 +ATOM 639 H1 WAT 209 30.436 7.865 20.714 +ATOM 640 H2 WAT 209 31.037 7.559 22.069 +TER +ATOM 641 O WAT 210 30.497 4.381 28.778 +ATOM 642 H1 WAT 210 30.084 5.207 29.032 +ATOM 643 H2 WAT 210 29.765 3.796 28.586 +TER +ATOM 644 O WAT 211 22.630 7.167 23.640 +ATOM 645 H1 WAT 211 22.226 6.455 23.144 +ATOM 646 H2 WAT 211 22.717 6.823 24.529 +TER +ATOM 647 O WAT 212 23.098 10.854 25.804 +ATOM 648 H1 WAT 212 22.801 10.249 25.125 +ATOM 649 H2 WAT 212 24.048 10.892 25.693 +TER +ATOM 650 O WAT 213 21.343 3.942 27.420 +ATOM 651 H1 WAT 213 21.895 4.051 26.645 +ATOM 652 H2 WAT 213 21.858 4.315 28.135 +TER +ATOM 653 O WAT 214 29.231 7.442 18.369 +ATOM 654 H1 WAT 214 29.670 6.604 18.222 +ATOM 655 H2 WAT 214 29.944 8.075 18.455 +TER +ATOM 656 O WAT 215 27.340 12.381 22.337 +ATOM 657 H1 WAT 215 27.780 13.124 21.922 +ATOM 658 H2 WAT 215 27.279 12.624 23.261 +TER +ATOM 659 O WAT 216 19.331 6.062 21.140 +ATOM 660 H1 WAT 216 19.211 6.788 20.529 +ATOM 661 H2 WAT 216 19.021 5.292 20.663 +TER +ATOM 662 O WAT 217 16.969 9.233 26.947 +ATOM 663 H1 WAT 217 17.047 9.368 26.003 +ATOM 664 H2 WAT 217 17.583 8.525 27.140 +TER +ATOM 665 O WAT 218 18.214 10.933 23.358 +ATOM 666 H1 WAT 218 17.807 11.075 22.503 +ATOM 667 H2 WAT 218 19.105 10.649 23.155 +TER +ATOM 668 O WAT 219 30.007 15.368 19.693 +ATOM 669 H1 WAT 219 29.848 15.078 20.591 +ATOM 670 H2 WAT 219 29.842 14.592 19.158 +TER +ATOM 671 O WAT 220 22.486 15.148 21.470 +ATOM 672 H1 WAT 220 22.310 14.232 21.257 +ATOM 673 H2 WAT 220 21.632 15.507 21.710 +TER +ATOM 674 O WAT 221 29.710 12.877 18.253 +ATOM 675 H1 WAT 221 29.017 12.875 17.593 +ATOM 676 H2 WAT 221 30.452 12.453 17.822 +TER +ATOM 677 O WAT 222 29.275 14.503 22.328 +ATOM 678 H1 WAT 222 29.731 13.722 22.642 +ATOM 679 H2 WAT 222 29.614 15.214 22.872 +TER +ATOM 680 O WAT 223 17.025 10.275 29.487 +ATOM 681 H1 WAT 223 17.188 9.805 28.669 +ATOM 682 H2 WAT 223 17.490 9.767 30.152 +TER +ATOM 683 O WAT 224 21.589 4.529 22.251 +ATOM 684 H1 WAT 224 21.363 4.312 23.156 +ATOM 685 H2 WAT 224 20.808 4.962 21.906 +TER +ATOM 686 O WAT 225 28.818 4.535 20.850 +ATOM 687 H1 WAT 225 28.219 5.259 20.666 +ATOM 688 H2 WAT 225 29.366 4.473 20.068 +TER +ATOM 689 O WAT 226 27.425 3.171 22.880 +ATOM 690 H1 WAT 226 27.818 3.489 22.067 +ATOM 691 H2 WAT 226 27.787 2.293 22.995 +TER +ATOM 692 O WAT 227 16.648 3.704 16.314 +ATOM 693 H1 WAT 227 16.566 4.647 16.455 +ATOM 694 H2 WAT 227 16.297 3.561 15.435 +TER +ATOM 695 O WAT 228 28.010 5.762 26.975 +ATOM 696 H1 WAT 228 27.278 6.271 27.324 +ATOM 697 H2 WAT 228 27.613 4.945 26.674 +TER +ATOM 698 O WAT 229 24.448 2.437 25.381 +ATOM 699 H1 WAT 229 24.452 1.996 24.531 +ATOM 700 H2 WAT 229 25.343 2.759 25.488 +TER +ATOM 701 O WAT 230 20.298 2.320 24.340 +ATOM 702 H1 WAT 230 19.958 2.798 25.097 +ATOM 703 H2 WAT 230 19.536 1.867 23.980 +TER +ATOM 704 O WAT 231 24.510 3.439 18.371 +ATOM 705 H1 WAT 231 24.631 3.397 19.320 +ATOM 706 H2 WAT 231 24.125 4.301 18.216 +TER +ATOM 707 O WAT 232 23.522 5.749 17.770 +ATOM 708 H1 WAT 232 22.954 5.301 17.143 +ATOM 709 H2 WAT 232 24.231 6.108 17.236 +TER +ATOM 710 O WAT 233 24.749 6.498 27.127 +ATOM 711 H1 WAT 233 25.116 6.023 27.873 +ATOM 712 H2 WAT 233 24.559 7.372 27.468 +TER +ATOM 713 O WAT 234 22.539 5.538 29.446 +ATOM 714 H1 WAT 234 22.235 6.418 29.671 +ATOM 715 H2 WAT 234 23.493 5.598 29.481 +TER +ATOM 716 O WAT 235 21.067 9.745 20.042 +ATOM 717 H1 WAT 235 20.293 9.204 19.882 +ATOM 718 H2 WAT 235 21.796 9.225 19.704 +TER +ATOM 719 O WAT 236 30.002 4.507 18.274 +ATOM 720 H1 WAT 236 30.890 4.819 18.099 +ATOM 721 H2 WAT 236 29.972 3.634 17.882 +TER +ATOM 722 O WAT 237 21.111 9.413 23.680 +ATOM 723 H1 WAT 237 21.629 8.609 23.626 +ATOM 724 H2 WAT 237 20.659 9.351 24.522 +TER +ATOM 725 O WAT 238 25.998 10.679 18.953 +ATOM 726 H1 WAT 238 26.339 11.423 18.457 +ATOM 727 H2 WAT 238 25.169 10.992 19.315 +TER +ATOM 728 O WAT 239 28.880 10.001 24.318 +ATOM 729 H1 WAT 239 29.233 9.404 23.658 +ATOM 730 H2 WAT 239 27.997 9.675 24.488 +TER +ATOM 731 O WAT 240 24.967 10.761 21.725 +ATOM 732 H1 WAT 240 25.654 11.308 22.105 +ATOM 733 H2 WAT 240 24.180 11.305 21.760 +TER +ATOM 734 O WAT 241 17.106 6.378 17.216 +ATOM 735 H1 WAT 241 17.975 6.660 17.500 +ATOM 736 H2 WAT 241 16.615 7.191 17.101 +TER +ATOM 737 O WAT 242 24.269 7.765 21.337 +ATOM 738 H1 WAT 242 24.726 8.576 21.563 +ATOM 739 H2 WAT 242 23.918 7.447 22.169 +TER +ATOM 740 O WAT 243 26.573 13.276 28.566 +ATOM 741 H1 WAT 243 27.217 13.482 29.244 +ATOM 742 H2 WAT 243 26.936 12.515 28.113 +TER +ATOM 743 O WAT 244 27.846 11.279 27.284 +ATOM 744 H1 WAT 244 28.488 10.578 27.397 +ATOM 745 H2 WAT 244 28.371 12.059 27.104 +TER +ATOM 746 O WAT 245 23.490 12.974 18.600 +ATOM 747 H1 WAT 245 23.481 13.707 17.984 +ATOM 748 H2 WAT 245 22.570 12.727 18.692 +TER +ATOM 749 O WAT 246 19.091 8.195 19.344 +ATOM 750 H1 WAT 246 18.483 8.935 19.354 +ATOM 751 H2 WAT 246 19.566 8.285 18.518 +TER +ATOM 752 O WAT 247 28.664 2.360 29.020 +ATOM 753 H1 WAT 247 29.032 1.540 29.348 +ATOM 754 H2 WAT 247 27.804 2.420 29.436 +TER +ATOM 755 O WAT 248 26.476 13.037 17.262 +ATOM 756 H1 WAT 248 26.577 12.833 16.333 +ATOM 757 H2 WAT 248 25.576 12.782 17.467 +TER +ATOM 758 O WAT 249 23.999 3.595 21.245 +ATOM 759 H1 WAT 249 23.290 4.063 21.686 +ATOM 760 H2 WAT 249 24.283 2.937 21.879 +TER +ATOM 761 O WAT 250 25.624 5.014 29.244 +ATOM 762 H1 WAT 250 26.123 5.489 29.909 +ATOM 763 H2 WAT 250 25.766 4.091 29.451 +TER +ATOM 764 O WAT 251 25.118 15.555 21.957 +ATOM 765 H1 WAT 251 25.372 15.517 21.035 +ATOM 766 H2 WAT 251 24.169 15.429 21.950 +TER +ATOM 767 O WAT 252 22.202 1.903 18.620 +ATOM 768 H1 WAT 252 23.051 2.340 18.554 +ATOM 769 H2 WAT 252 21.835 2.215 19.447 +TER +ATOM 770 O WAT 253 21.101 8.156 17.093 +ATOM 771 H1 WAT 253 21.867 8.044 17.656 +ATOM 772 H2 WAT 253 21.179 7.460 16.441 +TER +ATOM 773 O WAT 254 19.796 5.589 17.777 +ATOM 774 H1 WAT 254 19.876 4.642 17.888 +ATOM 775 H2 WAT 254 20.688 5.920 17.883 +TER +ATOM 776 O WAT 255 20.597 15.738 24.880 +ATOM 777 H1 WAT 255 21.334 15.190 25.151 +ATOM 778 H2 WAT 255 20.981 16.604 24.741 +TER +ATOM 779 O WAT 256 17.482 11.806 20.754 +ATOM 780 H1 WAT 256 16.556 12.048 20.745 +ATOM 781 H2 WAT 256 17.947 12.633 20.633 +TER +ATOM 782 O WAT 257 23.708 14.911 16.703 +ATOM 783 H1 WAT 257 24.500 15.200 16.251 +ATOM 784 H2 WAT 257 23.188 14.481 16.024 +TER +ATOM 785 O WAT 258 24.225 10.132 16.567 +ATOM 786 H1 WAT 258 24.120 9.517 17.293 +ATOM 787 H2 WAT 258 24.058 9.608 15.783 +TER +ATOM 788 O WAT 259 27.466 9.194 17.171 +ATOM 789 H1 WAT 259 26.917 9.641 17.815 +ATOM 790 H2 WAT 259 28.087 8.689 17.695 +TER +ATOM 791 O WAT 260 23.133 8.153 19.068 +ATOM 792 H1 WAT 260 23.555 7.987 19.911 +ATOM 793 H2 WAT 260 23.258 7.343 18.573 +TER +ATOM 794 O WAT 261 25.646 7.177 16.315 +ATOM 795 H1 WAT 261 26.166 6.462 15.949 +ATOM 796 H2 WAT 261 26.293 7.815 16.615 +TER +ATOM 797 O WAT 262 24.955 8.551 29.608 +ATOM 798 H1 WAT 262 25.374 9.395 29.436 +ATOM 799 H2 WAT 262 24.036 8.689 29.379 +TER +ATOM 800 O WAT 263 29.630 6.837 29.568 +ATOM 801 H1 WAT 263 29.104 7.361 28.965 +ATOM 802 H2 WAT 263 29.973 7.470 30.199 +TER +ATOM 803 O WAT 264 22.029 4.226 16.013 +ATOM 804 H1 WAT 264 21.828 3.363 16.375 +ATOM 805 H2 WAT 264 21.858 4.139 15.076 +TER +ATOM 806 O WAT 265 26.211 15.258 18.605 +ATOM 807 H1 WAT 265 27.106 15.596 18.627 +ATOM 808 H2 WAT 265 26.242 14.536 17.978 +TER +ATOM 809 O WAT 266 19.850 10.630 16.834 +ATOM 810 H1 WAT 266 20.288 11.173 17.490 +ATOM 811 H2 WAT 266 20.335 9.805 16.844 +TER +ATOM 812 O WAT 267 17.065 13.419 24.286 +ATOM 813 H1 WAT 267 17.395 12.551 24.054 +ATOM 814 H2 WAT 267 17.494 13.625 25.117 +TER +ATOM 815 O WAT 268 21.661 11.750 21.946 +ATOM 816 H1 WAT 268 21.361 11.627 22.847 +ATOM 817 H2 WAT 268 21.555 10.891 21.538 +TER +ATOM 818 O WAT 269 17.554 14.286 27.024 +ATOM 819 H1 WAT 269 17.117 14.467 27.857 +ATOM 820 H2 WAT 269 18.122 15.044 26.883 +TER +ATOM 821 O WAT 270 17.386 6.798 23.383 +ATOM 822 H1 WAT 270 16.731 6.530 22.739 +ATOM 823 H2 WAT 270 18.224 6.689 22.933 +TER +ATOM 824 O WAT 271 18.424 7.184 27.924 +ATOM 825 H1 WAT 271 18.791 7.096 28.803 +ATOM 826 H2 WAT 271 17.855 6.420 27.824 +TER +ATOM 827 O WAT 272 16.600 4.008 19.326 +ATOM 828 H1 WAT 272 15.697 4.271 19.151 +ATOM 829 H2 WAT 272 17.084 4.279 18.546 +TER +ATOM 830 O WAT 273 19.143 3.065 17.235 +ATOM 831 H1 WAT 273 19.852 2.643 16.750 +ATOM 832 H2 WAT 273 18.427 3.132 16.604 +TER +ATOM 833 O WAT 274 23.540 13.253 28.687 +ATOM 834 H1 WAT 274 23.299 13.520 27.800 +ATOM 835 H2 WAT 274 24.480 13.424 28.742 +TER +ATOM 836 O WAT 275 19.309 12.009 29.156 +ATOM 837 H1 WAT 275 18.583 11.390 29.089 +ATOM 838 H2 WAT 275 19.370 12.403 28.286 +TER +ATOM 839 O WAT 276 22.914 14.224 25.941 +ATOM 840 H1 WAT 276 23.430 13.612 25.416 +ATOM 841 H2 WAT 276 23.563 14.726 26.432 +TER +ATOM 842 O WAT 277 25.653 15.114 26.768 +ATOM 843 H1 WAT 277 25.941 14.860 25.891 +ATOM 844 H2 WAT 277 26.166 14.562 27.359 +TER +ATOM 845 O WAT 278 17.592 15.326 22.366 +ATOM 846 H1 WAT 278 17.424 14.694 23.064 +ATOM 847 H2 WAT 278 16.726 15.532 22.015 +TER +ATOM 848 O WAT 279 19.198 14.020 19.811 +ATOM 849 H1 WAT 279 18.673 14.401 19.107 +ATOM 850 H2 WAT 279 19.123 14.645 20.532 +TER +ATOM 851 O WAT 280 21.798 15.968 18.686 +ATOM 852 H1 WAT 280 22.530 15.684 18.138 +ATOM 853 H2 WAT 280 22.057 15.729 19.576 +TER +ATOM 854 O WAT 281 20.959 12.085 18.690 +ATOM 855 H1 WAT 281 20.330 12.553 19.239 +ATOM 856 H2 WAT 281 21.074 11.239 19.125 +TER +ATOM 857 O WAT 282 28.414 6.135 4.841 +ATOM 858 H1 WAT 282 28.334 5.221 4.570 +ATOM 859 H2 WAT 282 28.001 6.632 4.135 +TER +ATOM 860 O WAT 283 26.546 7.913 6.721 +ATOM 861 H1 WAT 283 25.770 7.433 7.011 +ATOM 862 H2 WAT 283 27.197 7.234 6.547 +TER +ATOM 863 O WAT 284 20.563 8.225 7.599 +ATOM 864 H1 WAT 284 19.731 7.970 7.999 +ATOM 865 H2 WAT 284 21.171 8.296 8.335 +TER +ATOM 866 O WAT 285 20.543 12.259 7.795 +ATOM 867 H1 WAT 285 20.845 11.369 7.616 +ATOM 868 H2 WAT 285 21.287 12.816 7.567 +TER +ATOM 869 O WAT 286 16.935 5.786 7.267 +ATOM 870 H1 WAT 286 17.507 5.018 7.268 +ATOM 871 H2 WAT 286 16.935 6.085 6.358 +TER +ATOM 872 O WAT 287 26.793 14.605 5.122 +ATOM 873 H1 WAT 287 26.174 15.061 4.551 +ATOM 874 H2 WAT 287 27.648 14.760 4.721 +TER +ATOM 875 O WAT 288 25.987 10.589 6.728 +ATOM 876 H1 WAT 288 25.918 9.648 6.567 +ATOM 877 H2 WAT 288 26.749 10.679 7.301 +TER +ATOM 878 O WAT 289 27.017 3.396 6.955 +ATOM 879 H1 WAT 289 27.394 2.523 6.843 +ATOM 880 H2 WAT 289 26.919 3.732 6.064 +TER +ATOM 881 O WAT 290 21.148 1.768 2.417 +ATOM 882 H1 WAT 290 21.255 2.669 2.724 +ATOM 883 H2 WAT 290 20.237 1.720 2.127 +TER +ATOM 884 O WAT 291 18.796 3.690 7.662 +ATOM 885 H1 WAT 291 19.477 3.954 8.281 +ATOM 886 H2 WAT 291 18.481 2.850 7.996 +TER +ATOM 887 O WAT 292 22.989 4.737 6.750 +ATOM 888 H1 WAT 292 23.496 5.235 7.390 +ATOM 889 H2 WAT 292 23.520 3.960 6.574 +TER +ATOM 890 O WAT 293 27.659 9.489 2.515 +ATOM 891 H1 WAT 293 27.041 9.954 1.951 +ATOM 892 H2 WAT 293 28.172 10.181 2.932 +TER +ATOM 893 O WAT 294 22.523 9.016 9.193 +ATOM 894 H1 WAT 294 22.189 9.643 9.835 +ATOM 895 H2 WAT 294 22.699 9.542 8.414 +TER +ATOM 896 O WAT 295 21.734 10.984 11.008 +ATOM 897 H1 WAT 295 22.352 11.659 10.727 +ATOM 898 H2 WAT 295 20.874 11.393 10.917 +TER +ATOM 899 O WAT 296 30.188 14.293 7.638 +ATOM 900 H1 WAT 296 30.201 13.889 6.770 +ATOM 901 H2 WAT 296 29.636 15.067 7.534 +TER +ATOM 902 O WAT 297 29.587 9.196 8.967 +ATOM 903 H1 WAT 297 30.003 8.982 8.132 +ATOM 904 H2 WAT 297 30.311 9.453 9.537 +TER +ATOM 905 O WAT 298 27.025 6.641 2.084 +ATOM 906 H1 WAT 298 26.098 6.575 2.312 +ATOM 907 H2 WAT 298 27.177 7.579 1.969 +TER +ATOM 908 O WAT 299 31.054 8.203 2.587 +ATOM 909 H1 WAT 299 30.436 7.865 1.940 +ATOM 910 H2 WAT 299 31.037 7.559 3.295 +TER +ATOM 911 O WAT 300 30.497 4.381 10.004 +ATOM 912 H1 WAT 300 30.084 5.207 10.258 +ATOM 913 H2 WAT 300 29.765 3.796 9.811 +TER +ATOM 914 O WAT 301 22.630 7.167 4.865 +ATOM 915 H1 WAT 301 22.226 6.455 4.370 +ATOM 916 H2 WAT 301 22.717 6.823 5.754 +TER +ATOM 917 O WAT 302 23.098 10.854 7.029 +ATOM 918 H1 WAT 302 22.801 10.249 6.350 +ATOM 919 H2 WAT 302 24.048 10.892 6.918 +TER +ATOM 920 O WAT 303 21.343 3.942 8.645 +ATOM 921 H1 WAT 303 21.895 4.051 7.871 +ATOM 922 H2 WAT 303 21.858 4.315 9.361 +TER +ATOM 923 O WAT 304 22.190 10.592 13.680 +ATOM 924 H1 WAT 304 21.293 10.816 13.928 +ATOM 925 H2 WAT 304 22.216 10.716 12.731 +TER +ATOM 926 O WAT 305 21.017 7.464 12.256 +ATOM 927 H1 WAT 305 20.878 8.336 12.625 +ATOM 928 H2 WAT 305 20.136 7.121 12.111 +TER +ATOM 929 O WAT 306 27.340 12.381 3.562 +ATOM 930 H1 WAT 306 27.780 13.124 3.148 +ATOM 931 H2 WAT 306 27.279 12.624 4.486 +TER +ATOM 932 O WAT 307 22.815 13.406 14.464 +ATOM 933 H1 WAT 307 22.787 13.810 13.597 +ATOM 934 H2 WAT 307 22.652 12.477 14.302 +TER +ATOM 935 O WAT 308 19.331 6.062 2.366 +ATOM 936 H1 WAT 308 19.211 6.788 1.754 +ATOM 937 H2 WAT 308 19.021 5.292 1.889 +TER +ATOM 938 O WAT 309 16.969 9.233 8.173 +ATOM 939 H1 WAT 309 17.047 9.368 7.229 +ATOM 940 H2 WAT 309 17.583 8.525 8.366 +TER +ATOM 941 O WAT 310 18.214 10.933 4.584 +ATOM 942 H1 WAT 310 17.807 11.075 3.729 +ATOM 943 H2 WAT 310 19.105 10.649 4.381 +TER +ATOM 944 O WAT 311 28.032 15.083 11.490 +ATOM 945 H1 WAT 311 28.546 14.993 12.293 +ATOM 946 H2 WAT 311 27.189 15.429 11.783 +TER +ATOM 947 O WAT 312 22.486 15.148 2.696 +ATOM 948 H1 WAT 312 22.310 14.232 2.483 +ATOM 949 H2 WAT 312 21.632 15.507 2.936 +TER +ATOM 950 O WAT 313 29.275 14.503 3.553 +ATOM 951 H1 WAT 313 29.731 13.722 3.867 +ATOM 952 H2 WAT 313 29.614 15.214 4.098 +TER +ATOM 953 O WAT 314 17.025 10.275 10.712 +ATOM 954 H1 WAT 314 17.188 9.805 9.894 +ATOM 955 H2 WAT 314 17.490 9.767 11.377 +TER +ATOM 956 O WAT 315 31.085 3.493 12.482 +ATOM 957 H1 WAT 315 30.234 3.194 12.803 +ATOM 958 H2 WAT 315 30.925 3.737 11.570 +TER +ATOM 959 O WAT 316 28.180 4.993 14.582 +ATOM 960 H1 WAT 316 28.505 4.160 14.242 +ATOM 961 H2 WAT 316 28.968 5.516 14.729 +TER +ATOM 962 O WAT 317 21.589 4.529 3.477 +ATOM 963 H1 WAT 317 21.363 4.312 4.381 +ATOM 964 H2 WAT 317 20.808 4.962 3.131 +TER +ATOM 965 O WAT 318 28.818 4.535 2.076 +ATOM 966 H1 WAT 318 28.219 5.259 1.892 +ATOM 967 H2 WAT 318 29.366 4.473 1.293 +TER +ATOM 968 O WAT 319 24.028 5.427 14.143 +ATOM 969 H1 WAT 319 23.933 4.487 13.993 +ATOM 970 H2 WAT 319 24.872 5.649 13.747 +TER +ATOM 971 O WAT 320 27.425 3.171 4.106 +ATOM 972 H1 WAT 320 27.818 3.489 3.293 +ATOM 973 H2 WAT 320 27.787 2.293 4.220 +TER +ATOM 974 O WAT 321 25.734 1.922 15.366 +ATOM 975 H1 WAT 321 25.044 1.729 16.000 +ATOM 976 H2 WAT 321 26.477 2.206 15.898 +TER +ATOM 977 O WAT 322 28.010 5.762 8.201 +ATOM 978 H1 WAT 322 27.278 6.271 8.550 +ATOM 979 H2 WAT 322 27.613 4.945 7.900 +TER +ATOM 980 O WAT 323 24.448 2.437 6.606 +ATOM 981 H1 WAT 323 24.452 1.996 5.757 +ATOM 982 H2 WAT 323 25.343 2.759 6.714 +TER +ATOM 983 O WAT 324 20.298 2.320 5.566 +ATOM 984 H1 WAT 324 19.958 2.798 6.322 +ATOM 985 H2 WAT 324 19.536 1.867 5.206 +TER +ATOM 986 O WAT 325 18.599 9.650 12.872 +ATOM 987 H1 WAT 325 18.215 9.009 13.470 +ATOM 988 H2 WAT 325 18.910 10.354 13.442 +TER +ATOM 989 O WAT 326 24.749 6.498 8.353 +ATOM 990 H1 WAT 326 25.116 6.023 9.099 +ATOM 991 H2 WAT 326 24.559 7.372 8.694 +TER +ATOM 992 O WAT 327 22.539 5.538 10.671 +ATOM 993 H1 WAT 327 22.235 6.418 10.896 +ATOM 994 H2 WAT 327 23.493 5.598 10.707 +TER +ATOM 995 O WAT 328 27.208 8.812 12.948 +ATOM 996 H1 WAT 328 27.141 7.892 12.693 +ATOM 997 H2 WAT 328 26.578 8.910 13.662 +TER +ATOM 998 O WAT 329 21.111 9.413 4.906 +ATOM 999 H1 WAT 329 21.629 8.609 4.852 +ATOM 1000 H2 WAT 329 20.659 9.351 5.748 +TER +ATOM 1001 O WAT 330 18.595 6.379 11.818 +ATOM 1002 H1 WAT 330 18.237 7.044 12.406 +ATOM 1003 H2 WAT 330 18.301 5.547 12.190 +TER +ATOM 1004 O WAT 331 21.796 6.837 14.702 +ATOM 1005 H1 WAT 331 21.497 6.983 13.805 +ATOM 1006 H2 WAT 331 22.568 6.278 14.610 +TER +ATOM 1007 O WAT 332 27.139 11.634 12.698 +ATOM 1008 H1 WAT 332 27.154 10.702 12.480 +ATOM 1009 H2 WAT 332 26.432 11.720 13.337 +TER +ATOM 1010 O WAT 333 28.880 10.001 5.543 +ATOM 1011 H1 WAT 333 29.233 9.404 4.883 +ATOM 1012 H2 WAT 333 27.997 9.675 5.714 +TER +ATOM 1013 O WAT 334 24.967 10.761 2.950 +ATOM 1014 H1 WAT 334 25.654 11.308 3.331 +ATOM 1015 H2 WAT 334 24.180 11.305 2.985 +TER +ATOM 1016 O WAT 335 24.269 7.765 2.563 +ATOM 1017 H1 WAT 335 24.726 8.576 2.789 +ATOM 1018 H2 WAT 335 23.918 7.447 3.395 +TER +ATOM 1019 O WAT 336 26.573 13.276 9.792 +ATOM 1020 H1 WAT 336 27.217 13.482 10.469 +ATOM 1021 H2 WAT 336 26.936 12.515 9.339 +TER +ATOM 1022 O WAT 337 27.846 11.279 8.510 +ATOM 1023 H1 WAT 337 28.488 10.578 8.623 +ATOM 1024 H2 WAT 337 28.371 12.059 8.329 +TER +ATOM 1025 O WAT 338 29.620 12.079 11.713 +ATOM 1026 H1 WAT 338 29.955 12.665 12.391 +ATOM 1027 H2 WAT 338 28.700 11.948 11.943 +TER +ATOM 1028 O WAT 339 25.449 12.128 14.882 +ATOM 1029 H1 WAT 339 25.128 11.409 15.427 +ATOM 1030 H2 WAT 339 24.774 12.803 14.956 +TER +ATOM 1031 O WAT 340 28.664 2.360 10.246 +ATOM 1032 H1 WAT 340 29.032 1.540 10.574 +ATOM 1033 H2 WAT 340 27.804 2.420 10.661 +TER +ATOM 1034 O WAT 341 23.999 3.595 2.470 +ATOM 1035 H1 WAT 341 23.290 4.063 2.912 +ATOM 1036 H2 WAT 341 24.283 2.937 3.105 +TER +ATOM 1037 O WAT 342 25.624 5.014 10.470 +ATOM 1038 H1 WAT 342 26.123 5.489 11.135 +ATOM 1039 H2 WAT 342 25.766 4.091 10.677 +TER +ATOM 1040 O WAT 343 25.118 15.555 3.183 +ATOM 1041 H1 WAT 343 25.372 15.517 2.261 +ATOM 1042 H2 WAT 343 24.169 15.429 3.176 +TER +ATOM 1043 O WAT 344 20.597 15.738 6.106 +ATOM 1044 H1 WAT 344 21.334 15.190 6.377 +ATOM 1045 H2 WAT 344 20.981 16.604 5.966 +TER +ATOM 1046 O WAT 345 17.482 11.806 1.980 +ATOM 1047 H1 WAT 345 16.556 12.048 1.970 +ATOM 1048 H2 WAT 345 17.947 12.633 1.858 +TER +ATOM 1049 O WAT 346 28.440 11.031 15.242 +ATOM 1050 H1 WAT 346 27.833 11.054 14.501 +ATOM 1051 H2 WAT 346 28.135 10.299 15.779 +TER +ATOM 1052 O WAT 347 29.870 14.759 13.853 +ATOM 1053 H1 WAT 347 30.822 14.675 13.803 +ATOM 1054 H2 WAT 347 29.722 15.423 14.526 +TER +ATOM 1055 O WAT 348 17.323 7.410 14.238 +ATOM 1056 H1 WAT 348 17.827 6.831 14.810 +ATOM 1057 H2 WAT 348 16.584 7.694 14.776 +TER +ATOM 1058 O WAT 349 24.377 8.817 13.771 +ATOM 1059 H1 WAT 349 23.611 9.386 13.687 +ATOM 1060 H2 WAT 349 24.558 8.525 12.878 +TER +ATOM 1061 O WAT 350 19.355 5.553 15.133 +ATOM 1062 H1 WAT 350 19.396 5.255 16.041 +ATOM 1063 H2 WAT 350 20.210 5.954 14.974 +TER +ATOM 1064 O WAT 351 21.296 4.132 13.100 +ATOM 1065 H1 WAT 351 20.765 3.642 12.473 +ATOM 1066 H2 WAT 351 21.965 4.561 12.566 +TER +ATOM 1067 O WAT 352 30.194 8.599 12.864 +ATOM 1068 H1 WAT 352 30.608 8.754 13.714 +ATOM 1069 H2 WAT 352 29.259 8.725 13.027 +TER +ATOM 1070 O WAT 353 24.955 8.551 10.834 +ATOM 1071 H1 WAT 353 25.374 9.395 10.662 +ATOM 1072 H2 WAT 353 24.036 8.689 10.605 +TER +ATOM 1073 O WAT 354 27.292 6.283 12.218 +ATOM 1074 H1 WAT 354 27.411 5.687 12.957 +ATOM 1075 H2 WAT 354 28.151 6.320 11.798 +TER +ATOM 1076 O WAT 355 29.630 6.837 10.794 +ATOM 1077 H1 WAT 355 29.104 7.361 10.191 +ATOM 1078 H2 WAT 355 29.973 7.470 11.425 +TER +ATOM 1079 O WAT 356 22.806 14.857 11.950 +ATOM 1080 H1 WAT 356 22.268 15.581 11.631 +ATOM 1081 H2 WAT 356 23.059 14.380 11.160 +TER +ATOM 1082 O WAT 357 24.058 2.825 13.475 +ATOM 1083 H1 WAT 357 24.648 2.517 14.163 +ATOM 1084 H2 WAT 357 23.240 2.353 13.631 +TER +ATOM 1085 O WAT 358 28.878 2.442 13.709 +ATOM 1086 H1 WAT 358 28.189 1.780 13.644 +ATOM 1087 H2 WAT 358 29.598 1.996 14.154 +TER +ATOM 1088 O WAT 359 25.662 16.092 12.208 +ATOM 1089 H1 WAT 359 25.588 16.995 12.516 +ATOM 1090 H2 WAT 359 24.760 15.773 12.181 +TER +ATOM 1091 O WAT 360 17.065 13.419 5.512 +ATOM 1092 H1 WAT 360 17.395 12.551 5.280 +ATOM 1093 H2 WAT 360 17.494 13.625 6.342 +TER +ATOM 1094 O WAT 361 21.661 11.750 3.172 +ATOM 1095 H1 WAT 361 21.361 11.627 4.072 +ATOM 1096 H2 WAT 361 21.555 10.891 2.764 +TER +ATOM 1097 O WAT 362 17.554 14.286 8.250 +ATOM 1098 H1 WAT 362 17.117 14.467 9.082 +ATOM 1099 H2 WAT 362 18.122 15.044 8.108 +TER +ATOM 1100 O WAT 363 17.386 6.798 4.609 +ATOM 1101 H1 WAT 363 16.731 6.530 3.965 +ATOM 1102 H2 WAT 363 18.224 6.689 4.159 +TER +ATOM 1103 O WAT 364 18.424 7.184 9.149 +ATOM 1104 H1 WAT 364 18.791 7.096 10.029 +ATOM 1105 H2 WAT 364 17.855 6.420 9.050 +TER +ATOM 1106 O WAT 365 17.975 4.095 13.055 +ATOM 1107 H1 WAT 365 17.081 4.061 13.394 +ATOM 1108 H2 WAT 365 18.515 4.293 13.820 +TER +ATOM 1109 O WAT 366 19.839 11.697 14.311 +ATOM 1110 H1 WAT 366 19.796 11.326 15.193 +ATOM 1111 H2 WAT 366 19.970 12.635 14.451 +TER +ATOM 1112 O WAT 367 23.540 13.253 9.912 +ATOM 1113 H1 WAT 367 23.299 13.520 9.025 +ATOM 1114 H2 WAT 367 24.480 13.424 9.967 +TER +ATOM 1115 O WAT 368 19.678 14.643 11.431 +ATOM 1116 H1 WAT 368 19.084 14.512 12.170 +ATOM 1117 H2 WAT 368 19.670 13.807 10.965 +TER +ATOM 1118 O WAT 369 19.309 12.009 10.382 +ATOM 1119 H1 WAT 369 18.583 11.390 10.314 +ATOM 1120 H2 WAT 369 19.370 12.403 9.512 +TER +ATOM 1121 O WAT 370 22.914 14.224 7.167 +ATOM 1122 H1 WAT 370 23.430 13.612 6.642 +ATOM 1123 H2 WAT 370 23.563 14.726 7.658 +TER +ATOM 1124 O WAT 371 25.653 15.114 7.994 +ATOM 1125 H1 WAT 371 25.941 14.860 7.117 +ATOM 1126 H2 WAT 371 26.166 14.562 8.584 +TER +ATOM 1127 O WAT 372 17.592 15.326 3.592 +ATOM 1128 H1 WAT 372 17.424 14.694 4.290 +ATOM 1129 H2 WAT 372 16.726 15.532 3.241 +TER +ATOM 1130 O WAT 373 25.720 16.036 15.360 +ATOM 1131 H1 WAT 373 26.647 15.800 15.404 +ATOM 1132 H2 WAT 373 25.705 16.863 14.879 +TER +ATOM 1133 O WAT 374 9.640 24.909 23.615 +ATOM 1134 H1 WAT 374 9.559 23.995 23.344 +ATOM 1135 H2 WAT 374 9.226 25.406 22.909 +TER +ATOM 1136 O WAT 375 7.772 26.687 25.496 +ATOM 1137 H1 WAT 375 6.996 26.207 25.786 +ATOM 1138 H2 WAT 375 8.423 26.008 25.321 +TER +ATOM 1139 O WAT 376 11.792 31.093 24.276 +ATOM 1140 H1 WAT 376 11.330 30.322 24.604 +ATOM 1141 H2 WAT 376 12.605 31.120 24.781 +TER +ATOM 1142 O WAT 377 7.212 29.363 25.503 +ATOM 1143 H1 WAT 377 7.143 28.422 25.342 +ATOM 1144 H2 WAT 377 7.974 29.453 26.075 +TER +ATOM 1145 O WAT 378 8.243 22.170 25.730 +ATOM 1146 H1 WAT 378 8.619 21.297 25.617 +ATOM 1147 H2 WAT 378 8.145 22.506 24.839 +TER +ATOM 1148 O WAT 379 2.374 20.543 21.191 +ATOM 1149 H1 WAT 379 2.480 21.443 21.498 +ATOM 1150 H2 WAT 379 1.463 20.494 20.901 +TER +ATOM 1151 O WAT 380 12.025 19.665 22.663 +ATOM 1152 H1 WAT 380 12.846 19.175 22.705 +ATOM 1153 H2 WAT 380 12.059 20.255 23.416 +TER +ATOM 1154 O WAT 381 4.214 23.511 25.524 +ATOM 1155 H1 WAT 381 4.722 24.009 26.165 +ATOM 1156 H2 WAT 381 4.746 22.735 25.348 +TER +ATOM 1157 O WAT 382 16.315 21.682 29.227 +ATOM 1158 H1 WAT 382 15.611 22.070 28.708 +ATOM 1159 H2 WAT 382 16.581 22.377 29.829 +TER +ATOM 1160 O WAT 383 2.498 18.151 29.790 +ATOM 1161 H1 WAT 383 2.500 18.668 28.985 +ATOM 1162 H2 WAT 383 1.668 17.674 29.767 +TER +ATOM 1163 O WAT 384 8.885 28.263 21.289 +ATOM 1164 H1 WAT 384 8.267 28.728 20.726 +ATOM 1165 H2 WAT 384 9.397 28.956 21.706 +TER +ATOM 1166 O WAT 385 3.748 27.791 27.968 +ATOM 1167 H1 WAT 385 3.415 28.418 28.610 +ATOM 1168 H2 WAT 385 3.925 28.317 27.188 +TER +ATOM 1169 O WAT 386 12.262 21.605 25.435 +ATOM 1170 H1 WAT 386 11.557 21.894 26.016 +ATOM 1171 H2 WAT 386 12.623 22.415 25.075 +TER +ATOM 1172 O WAT 387 2.960 29.759 29.783 +ATOM 1173 H1 WAT 387 3.577 30.434 29.501 +ATOM 1174 H2 WAT 387 2.099 30.168 29.691 +TER +ATOM 1175 O WAT 388 15.330 21.051 25.826 +ATOM 1176 H1 WAT 388 14.383 21.085 25.958 +ATOM 1177 H2 WAT 388 15.655 21.865 26.211 +TER +ATOM 1178 O WAT 389 5.862 17.350 24.122 +ATOM 1179 H1 WAT 389 6.170 16.795 23.405 +ATOM 1180 H2 WAT 389 4.932 17.485 23.939 +TER +ATOM 1181 O WAT 390 12.708 29.789 21.502 +ATOM 1182 H1 WAT 390 12.598 28.846 21.627 +ATOM 1183 H2 WAT 390 12.705 30.150 22.388 +TER +ATOM 1184 O WAT 391 10.812 27.970 27.741 +ATOM 1185 H1 WAT 391 11.229 27.756 26.906 +ATOM 1186 H2 WAT 391 11.536 28.227 28.312 +TER +ATOM 1187 O WAT 392 8.250 25.415 20.858 +ATOM 1188 H1 WAT 392 7.323 25.349 21.087 +ATOM 1189 H2 WAT 392 8.403 26.353 20.743 +TER +ATOM 1190 O WAT 393 8.237 21.687 17.855 +ATOM 1191 H1 WAT 393 7.298 21.848 17.940 +ATOM 1192 H2 WAT 393 8.556 22.406 17.308 +TER +ATOM 1193 O WAT 394 14.758 26.369 27.832 +ATOM 1194 H1 WAT 394 13.930 26.438 27.357 +ATOM 1195 H2 WAT 394 15.354 26.954 27.364 +TER +ATOM 1196 O WAT 395 12.280 26.977 21.361 +ATOM 1197 H1 WAT 395 11.661 26.639 20.714 +ATOM 1198 H2 WAT 395 12.262 26.333 22.069 +TER +ATOM 1199 O WAT 396 11.723 23.156 28.778 +ATOM 1200 H1 WAT 396 11.310 23.981 29.032 +ATOM 1201 H2 WAT 396 10.990 22.570 28.586 +TER +ATOM 1202 O WAT 397 3.856 25.942 23.640 +ATOM 1203 H1 WAT 397 3.452 25.229 23.144 +ATOM 1204 H2 WAT 397 3.942 25.597 24.529 +TER +ATOM 1205 O WAT 398 4.324 29.628 25.804 +ATOM 1206 H1 WAT 398 4.027 29.023 25.125 +ATOM 1207 H2 WAT 398 5.274 29.666 25.693 +TER +ATOM 1208 O WAT 399 2.569 22.716 27.420 +ATOM 1209 H1 WAT 399 3.120 22.826 26.645 +ATOM 1210 H2 WAT 399 3.083 23.090 28.135 +TER +ATOM 1211 O WAT 400 10.456 26.216 18.369 +ATOM 1212 H1 WAT 400 10.896 25.378 18.222 +ATOM 1213 H2 WAT 400 11.169 26.849 18.455 +TER +ATOM 1214 O WAT 401 3.023 18.180 24.523 +ATOM 1215 H1 WAT 401 2.580 18.961 24.191 +ATOM 1216 H2 WAT 401 3.581 18.503 25.230 +TER +ATOM 1217 O WAT 402 6.139 17.801 19.403 +ATOM 1218 H1 WAT 402 5.514 17.797 20.129 +ATOM 1219 H2 WAT 402 6.052 16.934 19.007 +TER +ATOM 1220 O WAT 403 5.060 18.724 26.382 +ATOM 1221 H1 WAT 403 5.358 19.631 26.301 +ATOM 1222 H2 WAT 403 5.609 18.236 25.768 +TER +ATOM 1223 O WAT 404 2.814 23.303 22.251 +ATOM 1224 H1 WAT 404 2.588 23.087 23.156 +ATOM 1225 H2 WAT 404 2.033 23.736 21.906 +TER +ATOM 1226 O WAT 405 10.044 23.309 20.850 +ATOM 1227 H1 WAT 405 9.445 24.033 20.666 +ATOM 1228 H2 WAT 405 10.592 23.247 20.068 +TER +ATOM 1229 O WAT 406 8.650 21.946 22.880 +ATOM 1230 H1 WAT 406 9.043 22.263 22.067 +ATOM 1231 H2 WAT 406 9.012 21.067 22.995 +TER +ATOM 1232 O WAT 407 9.236 24.536 26.975 +ATOM 1233 H1 WAT 407 8.504 25.045 27.324 +ATOM 1234 H2 WAT 407 8.838 23.719 26.674 +TER +ATOM 1235 O WAT 408 5.674 21.212 25.381 +ATOM 1236 H1 WAT 408 5.677 20.771 24.531 +ATOM 1237 H2 WAT 408 6.569 21.534 25.488 +TER +ATOM 1238 O WAT 409 5.736 22.213 18.371 +ATOM 1239 H1 WAT 409 5.857 22.172 19.320 +ATOM 1240 H2 WAT 409 5.351 23.075 18.216 +TER +ATOM 1241 O WAT 410 9.699 19.990 26.388 +ATOM 1242 H1 WAT 410 9.716 20.441 27.232 +ATOM 1243 H2 WAT 410 9.450 19.090 26.601 +TER +ATOM 1244 O WAT 411 4.748 24.523 17.770 +ATOM 1245 H1 WAT 411 4.180 24.075 17.143 +ATOM 1246 H2 WAT 411 5.457 24.882 17.236 +TER +ATOM 1247 O WAT 412 5.975 25.272 27.127 +ATOM 1248 H1 WAT 412 6.342 24.798 27.873 +ATOM 1249 H2 WAT 412 5.785 26.146 27.468 +TER +ATOM 1250 O WAT 413 3.764 24.313 29.446 +ATOM 1251 H1 WAT 413 3.460 25.192 29.671 +ATOM 1252 H2 WAT 413 4.719 24.373 29.481 +TER +ATOM 1253 O WAT 414 2.293 28.519 20.042 +ATOM 1254 H1 WAT 414 1.519 27.979 19.882 +ATOM 1255 H2 WAT 414 3.022 28.000 19.704 +TER +ATOM 1256 O WAT 415 13.051 27.515 25.835 +ATOM 1257 H1 WAT 415 13.771 28.011 25.445 +ATOM 1258 H2 WAT 415 12.850 26.837 25.190 +TER +ATOM 1259 O WAT 416 8.512 18.909 19.978 +ATOM 1260 H1 WAT 416 7.699 18.411 19.902 +ATOM 1261 H2 WAT 416 8.319 19.749 19.562 +TER +ATOM 1262 O WAT 417 11.227 23.281 18.274 +ATOM 1263 H1 WAT 417 12.115 23.593 18.099 +ATOM 1264 H2 WAT 417 11.198 22.408 17.882 +TER +ATOM 1265 O WAT 418 2.336 28.187 23.680 +ATOM 1266 H1 WAT 418 2.854 27.384 23.626 +ATOM 1267 H2 WAT 418 1.885 28.125 24.522 +TER +ATOM 1268 O WAT 419 7.223 29.454 18.953 +ATOM 1269 H1 WAT 419 7.565 30.198 18.457 +ATOM 1270 H2 WAT 419 6.395 29.767 19.315 +TER +ATOM 1271 O WAT 420 13.499 24.592 17.742 +ATOM 1272 H1 WAT 420 13.415 25.024 16.892 +ATOM 1273 H2 WAT 420 14.218 25.052 18.175 +TER +ATOM 1274 O WAT 421 10.106 28.775 24.318 +ATOM 1275 H1 WAT 421 10.458 28.178 23.658 +ATOM 1276 H2 WAT 421 9.222 28.450 24.488 +TER +ATOM 1277 O WAT 422 6.192 29.535 21.725 +ATOM 1278 H1 WAT 422 6.880 30.082 22.105 +ATOM 1279 H2 WAT 422 5.406 30.079 21.760 +TER +ATOM 1280 O WAT 423 5.495 26.540 21.337 +ATOM 1281 H1 WAT 423 5.951 27.350 21.563 +ATOM 1282 H2 WAT 423 5.144 26.222 22.169 +TER +ATOM 1283 O WAT 424 9.072 30.053 27.284 +ATOM 1284 H1 WAT 424 9.714 29.353 27.397 +ATOM 1285 H2 WAT 424 9.597 30.833 27.104 +TER +ATOM 1286 O WAT 425 12.917 30.338 17.008 +ATOM 1287 H1 WAT 425 12.691 29.621 17.600 +ATOM 1288 H2 WAT 425 12.527 30.090 16.170 +TER +ATOM 1289 O WAT 426 12.499 28.255 18.669 +ATOM 1290 H1 WAT 426 12.211 28.717 19.457 +ATOM 1291 H2 WAT 426 13.294 27.795 18.938 +TER +ATOM 1292 O WAT 427 9.890 21.135 29.020 +ATOM 1293 H1 WAT 427 10.258 20.314 29.348 +ATOM 1294 H2 WAT 427 9.029 21.195 29.436 +TER +ATOM 1295 O WAT 428 13.256 20.090 19.829 +ATOM 1296 H1 WAT 428 12.627 20.195 19.115 +ATOM 1297 H2 WAT 428 12.761 20.310 20.618 +TER +ATOM 1298 O WAT 429 5.224 22.369 21.245 +ATOM 1299 H1 WAT 429 4.516 22.838 21.686 +ATOM 1300 H2 WAT 429 5.509 21.711 21.879 +TER +ATOM 1301 O WAT 430 6.850 23.789 29.244 +ATOM 1302 H1 WAT 430 7.348 24.263 29.909 +ATOM 1303 H2 WAT 430 6.992 22.865 29.451 +TER +ATOM 1304 O WAT 431 9.256 19.094 22.684 +ATOM 1305 H1 WAT 431 9.132 19.113 21.735 +ATOM 1306 H2 WAT 431 10.204 19.142 22.804 +TER +ATOM 1307 O WAT 432 3.428 20.677 18.620 +ATOM 1308 H1 WAT 432 4.277 21.114 18.554 +ATOM 1309 H2 WAT 432 3.061 20.989 19.447 +TER +ATOM 1310 O WAT 433 14.056 20.005 30.087 +ATOM 1311 H1 WAT 433 13.554 20.746 30.426 +ATOM 1312 H2 WAT 433 14.872 20.394 29.770 +TER +ATOM 1313 O WAT 434 12.349 25.249 23.533 +ATOM 1314 H1 WAT 434 11.408 25.264 23.708 +ATOM 1315 H2 WAT 434 12.663 24.462 23.979 +TER +ATOM 1316 O WAT 435 2.327 26.931 17.093 +ATOM 1317 H1 WAT 435 3.093 26.819 17.656 +ATOM 1318 H2 WAT 435 2.404 26.234 16.441 +TER +ATOM 1319 O WAT 436 5.451 28.906 16.567 +ATOM 1320 H1 WAT 436 5.346 28.291 17.293 +ATOM 1321 H2 WAT 436 5.283 28.383 15.783 +TER +ATOM 1322 O WAT 437 8.691 27.968 17.171 +ATOM 1323 H1 WAT 437 8.142 28.415 17.815 +ATOM 1324 H2 WAT 437 9.313 27.463 17.695 +TER +ATOM 1325 O WAT 438 4.359 26.927 19.068 +ATOM 1326 H1 WAT 438 4.780 26.761 19.911 +ATOM 1327 H2 WAT 438 4.484 26.117 18.573 +TER +ATOM 1328 O WAT 439 6.871 25.951 16.315 +ATOM 1329 H1 WAT 439 7.392 25.236 15.949 +ATOM 1330 H2 WAT 439 7.518 26.590 16.615 +TER +ATOM 1331 O WAT 440 5.775 18.430 28.987 +ATOM 1332 H1 WAT 440 5.327 18.453 28.142 +ATOM 1333 H2 WAT 440 5.141 18.032 29.584 +TER +ATOM 1334 O WAT 441 6.181 27.326 29.608 +ATOM 1335 H1 WAT 441 6.600 28.169 29.436 +ATOM 1336 H2 WAT 441 5.262 27.463 29.379 +TER +ATOM 1337 O WAT 442 10.856 25.611 29.568 +ATOM 1338 H1 WAT 442 10.329 26.135 28.965 +ATOM 1339 H2 WAT 442 11.199 26.244 30.199 +TER +ATOM 1340 O WAT 443 3.255 23.001 16.013 +ATOM 1341 H1 WAT 443 3.054 22.137 16.375 +ATOM 1342 H2 WAT 443 3.084 22.914 15.076 +TER +ATOM 1343 O WAT 444 10.733 17.811 18.542 +ATOM 1344 H1 WAT 444 11.014 16.968 18.898 +ATOM 1345 H2 WAT 444 9.960 18.044 19.056 +TER +ATOM 1346 O WAT 445 2.053 20.101 16.001 +ATOM 1347 H1 WAT 445 2.355 20.107 15.093 +ATOM 1348 H2 WAT 445 2.792 19.750 16.498 +TER +ATOM 1349 O WAT 446 5.271 19.044 16.987 +ATOM 1350 H1 WAT 446 4.924 18.366 16.407 +ATOM 1351 H2 WAT 446 5.473 18.583 17.801 +TER +ATOM 1352 O WAT 447 2.887 30.525 21.946 +ATOM 1353 H1 WAT 447 2.586 30.401 22.847 +ATOM 1354 H2 WAT 447 2.780 29.665 21.538 +TER +ATOM 1355 O WAT 448 15.112 27.049 19.152 +ATOM 1356 H1 WAT 448 15.873 27.619 19.258 +ATOM 1357 H2 WAT 448 15.127 26.482 19.923 +TER +ATOM 1358 O WAT 449 16.118 27.904 23.997 +ATOM 1359 H1 WAT 449 16.488 27.121 23.590 +ATOM 1360 H2 WAT 449 16.758 28.593 23.818 +TER +ATOM 1361 O WAT 450 13.101 29.288 29.410 +ATOM 1362 H1 WAT 450 12.287 29.717 29.672 +ATOM 1363 H2 WAT 450 13.508 29.900 28.797 +TER +ATOM 1364 O WAT 451 15.163 27.342 16.310 +ATOM 1365 H1 WAT 451 15.438 28.250 16.182 +ATOM 1366 H2 WAT 451 14.974 27.279 17.246 +TER +ATOM 1367 O WAT 452 11.561 20.367 17.605 +ATOM 1368 H1 WAT 452 11.979 20.180 16.765 +ATOM 1369 H2 WAT 452 11.255 19.515 17.915 +TER +ATOM 1370 O WAT 453 15.060 25.279 21.303 +ATOM 1371 H1 WAT 453 14.684 24.512 20.871 +ATOM 1372 H2 WAT 453 14.330 25.662 21.790 +TER +ATOM 1373 O WAT 454 14.335 23.505 24.603 +ATOM 1374 H1 WAT 454 14.859 23.011 23.972 +ATOM 1375 H2 WAT 454 14.921 23.640 25.348 +TER +ATOM 1376 O WAT 455 14.514 23.589 28.125 +ATOM 1377 H1 WAT 455 13.564 23.555 28.240 +ATOM 1378 H2 WAT 455 14.695 24.499 27.890 +TER +ATOM 1379 O WAT 456 13.825 22.762 20.543 +ATOM 1380 H1 WAT 456 14.321 22.530 21.328 +ATOM 1381 H2 WAT 456 13.627 21.924 20.126 +TER +ATOM 1382 O WAT 457 15.254 21.399 23.076 +ATOM 1383 H1 WAT 457 15.144 21.244 24.015 +ATOM 1384 H2 WAT 457 16.015 20.871 22.834 +TER +ATOM 1385 O WAT 458 13.600 17.338 29.535 +ATOM 1386 H1 WAT 458 14.238 17.951 29.901 +ATOM 1387 H2 WAT 458 13.748 17.374 28.590 +TER +ATOM 1388 O WAT 459 10.349 16.711 28.408 +ATOM 1389 H1 WAT 459 9.475 17.044 28.206 +ATOM 1390 H2 WAT 459 10.240 16.238 29.234 +TER +ATOM 1391 O WAT 460 11.256 18.918 29.793 +ATOM 1392 H1 WAT 460 10.928 18.103 29.413 +ATOM 1393 H2 WAT 460 12.204 18.875 29.669 +TER +ATOM 1394 O WAT 461 8.097 17.628 27.348 +ATOM 1395 H1 WAT 461 7.314 18.102 27.627 +ATOM 1396 H2 WAT 461 7.803 16.723 27.239 +TER +ATOM 1397 O WAT 462 12.649 18.330 25.393 +ATOM 1398 H1 WAT 462 13.089 18.275 24.545 +ATOM 1399 H2 WAT 462 12.379 19.246 25.464 +TER +ATOM 1400 O WAT 463 14.512 17.962 23.403 +ATOM 1401 H1 WAT 463 14.451 17.018 23.257 +ATOM 1402 H2 WAT 463 15.292 18.070 23.949 +TER +ATOM 1403 O WAT 464 5.982 20.046 22.859 +ATOM 1404 H1 WAT 464 5.169 19.672 22.519 +ATOM 1405 H2 WAT 464 6.486 19.291 23.161 +TER +ATOM 1406 O WAT 465 10.484 16.711 24.098 +ATOM 1407 H1 WAT 465 11.087 17.283 24.572 +ATOM 1408 H2 WAT 465 9.744 17.275 23.875 +TER +ATOM 1409 O WAT 466 13.628 17.113 19.372 +ATOM 1410 H1 WAT 466 13.823 18.011 19.638 +ATOM 1411 H2 WAT 466 12.841 16.882 19.865 +TER +ATOM 1412 O WAT 467 1.813 18.459 18.409 +ATOM 1413 H1 WAT 467 2.342 17.672 18.280 +ATOM 1414 H2 WAT 467 2.446 19.138 18.643 +TER +ATOM 1415 O WAT 468 4.007 18.196 21.464 +ATOM 1416 H1 WAT 468 3.377 17.495 21.631 +ATOM 1417 H2 WAT 468 3.467 18.957 21.247 +TER +ATOM 1418 O WAT 469 9.640 24.909 4.841 +ATOM 1419 H1 WAT 469 9.559 23.995 4.570 +ATOM 1420 H2 WAT 469 9.226 25.406 4.135 +TER +ATOM 1421 O WAT 470 7.772 26.687 6.721 +ATOM 1422 H1 WAT 470 6.996 26.207 7.011 +ATOM 1423 H2 WAT 470 8.423 26.008 6.547 +TER +ATOM 1424 O WAT 471 11.792 31.093 5.501 +ATOM 1425 H1 WAT 471 11.330 30.322 5.830 +ATOM 1426 H2 WAT 471 12.605 31.120 6.007 +TER +ATOM 1427 O WAT 472 7.212 29.363 6.728 +ATOM 1428 H1 WAT 472 7.143 28.422 6.567 +ATOM 1429 H2 WAT 472 7.974 29.453 7.301 +TER +ATOM 1430 O WAT 473 8.243 22.170 6.955 +ATOM 1431 H1 WAT 473 8.619 21.297 6.843 +ATOM 1432 H2 WAT 473 8.145 22.506 6.064 +TER +ATOM 1433 O WAT 474 2.374 20.543 2.417 +ATOM 1434 H1 WAT 474 2.480 21.443 2.724 +ATOM 1435 H2 WAT 474 1.463 20.494 2.127 +TER +ATOM 1436 O WAT 475 12.025 19.665 3.888 +ATOM 1437 H1 WAT 475 12.846 19.175 3.931 +ATOM 1438 H2 WAT 475 12.059 20.255 4.641 +TER +ATOM 1439 O WAT 476 4.214 23.511 6.750 +ATOM 1440 H1 WAT 476 4.722 24.009 7.390 +ATOM 1441 H2 WAT 476 4.746 22.735 6.574 +TER +ATOM 1442 O WAT 477 16.315 21.682 10.453 +ATOM 1443 H1 WAT 477 15.611 22.070 9.934 +ATOM 1444 H2 WAT 477 16.581 22.377 11.055 +TER +ATOM 1445 O WAT 478 2.498 18.151 11.016 +ATOM 1446 H1 WAT 478 2.500 18.668 10.211 +ATOM 1447 H2 WAT 478 1.668 17.674 10.993 +TER +ATOM 1448 O WAT 479 8.885 28.263 2.515 +ATOM 1449 H1 WAT 479 8.267 28.728 1.951 +ATOM 1450 H2 WAT 479 9.397 28.956 2.932 +TER +ATOM 1451 O WAT 480 3.748 27.791 9.193 +ATOM 1452 H1 WAT 480 3.415 28.418 9.835 +ATOM 1453 H2 WAT 480 3.925 28.317 8.414 +TER +ATOM 1454 O WAT 481 12.262 21.605 6.661 +ATOM 1455 H1 WAT 481 11.557 21.894 7.241 +ATOM 1456 H2 WAT 481 12.623 22.415 6.301 +TER +ATOM 1457 O WAT 482 2.960 29.759 11.008 +ATOM 1458 H1 WAT 482 3.577 30.434 10.727 +ATOM 1459 H2 WAT 482 2.099 30.168 10.917 +TER +ATOM 1460 O WAT 483 15.330 21.051 7.052 +ATOM 1461 H1 WAT 483 14.383 21.085 7.183 +ATOM 1462 H2 WAT 483 15.655 21.865 7.437 +TER +ATOM 1463 O WAT 484 5.862 17.350 5.347 +ATOM 1464 H1 WAT 484 6.170 16.795 4.631 +ATOM 1465 H2 WAT 484 4.932 17.485 5.165 +TER +ATOM 1466 O WAT 485 12.708 29.789 2.727 +ATOM 1467 H1 WAT 485 12.598 28.846 2.852 +ATOM 1468 H2 WAT 485 12.705 30.150 3.614 +TER +ATOM 1469 O WAT 486 10.812 27.970 8.967 +ATOM 1470 H1 WAT 486 11.229 27.756 8.132 +ATOM 1471 H2 WAT 486 11.536 28.227 9.537 +TER +ATOM 1472 O WAT 487 8.250 25.415 2.084 +ATOM 1473 H1 WAT 487 7.323 25.349 2.312 +ATOM 1474 H2 WAT 487 8.403 26.353 1.969 +TER +ATOM 1475 O WAT 488 14.758 26.369 9.058 +ATOM 1476 H1 WAT 488 13.930 26.438 8.583 +ATOM 1477 H2 WAT 488 15.354 26.954 8.590 +TER +ATOM 1478 O WAT 489 12.280 26.977 2.587 +ATOM 1479 H1 WAT 489 11.661 26.639 1.940 +ATOM 1480 H2 WAT 489 12.262 26.333 3.295 +TER +ATOM 1481 O WAT 490 11.723 23.156 10.004 +ATOM 1482 H1 WAT 490 11.310 23.981 10.258 +ATOM 1483 H2 WAT 490 10.990 22.570 9.811 +TER +ATOM 1484 O WAT 491 3.856 25.942 4.865 +ATOM 1485 H1 WAT 491 3.452 25.229 4.370 +ATOM 1486 H2 WAT 491 3.942 25.597 5.754 +TER +ATOM 1487 O WAT 492 4.324 29.628 7.029 +ATOM 1488 H1 WAT 492 4.027 29.023 6.350 +ATOM 1489 H2 WAT 492 5.274 29.666 6.918 +TER +ATOM 1490 O WAT 493 2.569 22.716 8.645 +ATOM 1491 H1 WAT 493 3.120 22.826 7.871 +ATOM 1492 H2 WAT 493 3.083 23.090 9.361 +TER +ATOM 1493 O WAT 494 3.416 29.367 13.680 +ATOM 1494 H1 WAT 494 2.519 29.591 13.928 +ATOM 1495 H2 WAT 494 3.441 29.490 12.731 +TER +ATOM 1496 O WAT 495 15.396 30.154 12.921 +ATOM 1497 H1 WAT 495 15.522 29.915 12.003 +ATOM 1498 H2 WAT 495 15.438 29.323 13.393 +TER +ATOM 1499 O WAT 496 3.023 18.180 5.749 +ATOM 1500 H1 WAT 496 2.580 18.961 5.417 +ATOM 1501 H2 WAT 496 3.581 18.503 6.456 +TER +ATOM 1502 O WAT 497 7.310 21.047 11.352 +ATOM 1503 H1 WAT 497 6.848 21.255 12.164 +ATOM 1504 H2 WAT 497 6.908 20.233 11.049 +TER +ATOM 1505 O WAT 498 12.310 22.267 12.482 +ATOM 1506 H1 WAT 498 11.460 21.968 12.803 +ATOM 1507 H2 WAT 498 12.150 22.512 11.570 +TER +ATOM 1508 O WAT 499 9.405 23.768 14.582 +ATOM 1509 H1 WAT 499 9.731 22.934 14.242 +ATOM 1510 H2 WAT 499 10.193 24.291 14.729 +TER +ATOM 1511 O WAT 500 5.060 18.724 7.607 +ATOM 1512 H1 WAT 500 5.358 19.631 7.527 +ATOM 1513 H2 WAT 500 5.609 18.236 6.993 +TER +ATOM 1514 O WAT 501 2.814 23.303 3.477 +ATOM 1515 H1 WAT 501 2.588 23.087 4.381 +ATOM 1516 H2 WAT 501 2.033 23.736 3.131 +TER +ATOM 1517 O WAT 502 10.044 23.309 2.076 +ATOM 1518 H1 WAT 502 9.445 24.033 1.892 +ATOM 1519 H2 WAT 502 10.592 23.247 1.293 +TER +ATOM 1520 O WAT 503 5.254 24.202 14.143 +ATOM 1521 H1 WAT 503 5.158 23.261 13.993 +ATOM 1522 H2 WAT 503 6.097 24.423 13.747 +TER +ATOM 1523 O WAT 504 8.650 21.946 4.106 +ATOM 1524 H1 WAT 504 9.043 22.263 3.293 +ATOM 1525 H2 WAT 504 9.012 21.067 4.220 +TER +ATOM 1526 O WAT 505 6.960 20.697 15.366 +ATOM 1527 H1 WAT 505 6.270 20.504 16.000 +ATOM 1528 H2 WAT 505 7.703 20.980 15.898 +TER +ATOM 1529 O WAT 506 9.236 24.536 8.201 +ATOM 1530 H1 WAT 506 8.504 25.045 8.550 +ATOM 1531 H2 WAT 506 8.838 23.719 7.900 +TER +ATOM 1532 O WAT 507 5.674 21.212 6.606 +ATOM 1533 H1 WAT 507 5.677 20.771 5.757 +ATOM 1534 H2 WAT 507 6.569 21.534 6.714 +TER +ATOM 1535 O WAT 508 9.699 19.990 7.613 +ATOM 1536 H1 WAT 508 9.716 20.441 8.458 +ATOM 1537 H2 WAT 508 9.450 19.090 7.827 +TER +ATOM 1538 O WAT 509 5.975 25.272 8.353 +ATOM 1539 H1 WAT 509 6.342 24.798 9.099 +ATOM 1540 H2 WAT 509 5.785 26.146 8.694 +TER +ATOM 1541 O WAT 510 3.764 24.313 10.671 +ATOM 1542 H1 WAT 510 3.460 25.192 10.896 +ATOM 1543 H2 WAT 510 4.719 24.373 10.707 +TER +ATOM 1544 O WAT 511 13.051 27.515 7.061 +ATOM 1545 H1 WAT 511 13.771 28.011 6.670 +ATOM 1546 H2 WAT 511 12.850 26.837 6.416 +TER +ATOM 1547 O WAT 512 8.433 27.586 12.948 +ATOM 1548 H1 WAT 512 8.367 26.666 12.693 +ATOM 1549 H2 WAT 512 7.804 27.684 13.662 +TER +ATOM 1550 O WAT 513 2.336 28.187 4.906 +ATOM 1551 H1 WAT 513 2.854 27.384 4.852 +ATOM 1552 H2 WAT 513 1.885 28.125 5.748 +TER +ATOM 1553 O WAT 514 3.022 25.612 14.702 +ATOM 1554 H1 WAT 514 2.722 25.757 13.805 +ATOM 1555 H2 WAT 514 3.793 25.052 14.610 +TER +ATOM 1556 O WAT 515 8.365 30.408 12.698 +ATOM 1557 H1 WAT 515 8.379 29.477 12.480 +ATOM 1558 H2 WAT 515 7.657 30.494 13.337 +TER +ATOM 1559 O WAT 516 14.576 27.049 12.045 +ATOM 1560 H1 WAT 516 13.851 27.642 11.848 +ATOM 1561 H2 WAT 516 15.104 27.041 11.246 +TER +ATOM 1562 O WAT 517 10.106 28.775 5.543 +ATOM 1563 H1 WAT 517 10.458 28.178 4.883 +ATOM 1564 H2 WAT 517 9.222 28.450 5.714 +TER +ATOM 1565 O WAT 518 6.192 29.535 2.950 +ATOM 1566 H1 WAT 518 6.880 30.082 3.331 +ATOM 1567 H2 WAT 518 5.406 30.079 2.985 +TER +ATOM 1568 O WAT 519 5.495 26.540 2.563 +ATOM 1569 H1 WAT 519 5.951 27.350 2.789 +ATOM 1570 H2 WAT 519 5.144 26.222 3.395 +TER +ATOM 1571 O WAT 520 9.072 30.053 8.510 +ATOM 1572 H1 WAT 520 9.714 29.353 8.623 +ATOM 1573 H2 WAT 520 9.597 30.833 8.329 +TER +ATOM 1574 O WAT 521 9.890 21.135 10.246 +ATOM 1575 H1 WAT 521 10.258 20.314 10.574 +ATOM 1576 H2 WAT 521 9.029 21.195 10.661 +TER +ATOM 1577 O WAT 522 5.224 22.369 2.470 +ATOM 1578 H1 WAT 522 4.516 22.838 2.912 +ATOM 1579 H2 WAT 522 5.509 21.711 3.105 +TER +ATOM 1580 O WAT 523 6.850 23.789 10.470 +ATOM 1581 H1 WAT 523 7.348 24.263 11.135 +ATOM 1582 H2 WAT 523 6.992 22.865 10.677 +TER +ATOM 1583 O WAT 524 9.256 19.094 3.910 +ATOM 1584 H1 WAT 524 9.132 19.113 2.961 +ATOM 1585 H2 WAT 524 10.204 19.142 4.030 +TER +ATOM 1586 O WAT 525 14.056 20.005 11.312 +ATOM 1587 H1 WAT 525 13.554 20.746 11.652 +ATOM 1588 H2 WAT 525 14.872 20.394 10.996 +TER +ATOM 1589 O WAT 526 12.349 25.249 4.759 +ATOM 1590 H1 WAT 526 11.408 25.264 4.933 +ATOM 1591 H2 WAT 526 12.663 24.462 5.205 +TER +ATOM 1592 O WAT 527 9.665 29.805 15.242 +ATOM 1593 H1 WAT 527 9.059 29.828 14.501 +ATOM 1594 H2 WAT 527 9.361 29.074 15.779 +TER +ATOM 1595 O WAT 528 5.602 27.592 13.771 +ATOM 1596 H1 WAT 528 4.837 28.160 13.687 +ATOM 1597 H2 WAT 528 5.784 27.299 12.878 +TER +ATOM 1598 O WAT 529 12.745 29.322 14.329 +ATOM 1599 H1 WAT 529 13.486 29.660 13.826 +ATOM 1600 H2 WAT 529 11.982 29.492 13.776 +TER +ATOM 1601 O WAT 530 2.521 22.907 13.100 +ATOM 1602 H1 WAT 530 1.991 22.416 12.473 +ATOM 1603 H2 WAT 530 3.190 23.335 12.566 +TER +ATOM 1604 O WAT 531 11.419 27.374 12.864 +ATOM 1605 H1 WAT 531 11.833 27.528 13.714 +ATOM 1606 H2 WAT 531 10.484 27.499 13.027 +TER +ATOM 1607 O WAT 532 11.891 24.713 14.868 +ATOM 1608 H1 WAT 532 12.474 23.959 14.780 +ATOM 1609 H2 WAT 532 12.068 25.244 14.092 +TER +ATOM 1610 O WAT 533 3.009 19.873 13.180 +ATOM 1611 H1 WAT 533 2.914 19.255 12.455 +ATOM 1612 H2 WAT 533 2.428 20.600 12.953 +TER +ATOM 1613 O WAT 534 5.775 18.430 10.213 +ATOM 1614 H1 WAT 534 5.327 18.453 9.367 +ATOM 1615 H2 WAT 534 5.141 18.032 10.810 +TER +ATOM 1616 O WAT 535 6.181 27.326 10.834 +ATOM 1617 H1 WAT 535 6.600 28.169 10.662 +ATOM 1618 H2 WAT 535 5.262 27.463 10.605 +TER +ATOM 1619 O WAT 536 8.517 25.057 12.218 +ATOM 1620 H1 WAT 536 8.637 24.462 12.957 +ATOM 1621 H2 WAT 536 9.377 25.094 11.798 +TER +ATOM 1622 O WAT 537 10.856 25.611 10.794 +ATOM 1623 H1 WAT 537 10.329 26.135 10.191 +ATOM 1624 H2 WAT 537 11.199 26.244 11.425 +TER +ATOM 1625 O WAT 538 5.284 21.600 13.475 +ATOM 1626 H1 WAT 538 5.874 21.291 14.163 +ATOM 1627 H2 WAT 538 4.466 21.128 13.631 +TER +ATOM 1628 O WAT 539 10.103 21.216 13.709 +ATOM 1629 H1 WAT 539 9.415 20.554 13.644 +ATOM 1630 H2 WAT 539 10.824 20.770 14.154 +TER +ATOM 1631 O WAT 540 2.887 30.525 3.172 +ATOM 1632 H1 WAT 540 2.586 30.401 4.072 +ATOM 1633 H2 WAT 540 2.780 29.665 2.764 +TER +ATOM 1634 O WAT 541 16.118 27.904 5.222 +ATOM 1635 H1 WAT 541 16.488 27.121 4.816 +ATOM 1636 H2 WAT 541 16.758 28.593 5.044 +TER +ATOM 1637 O WAT 542 13.101 29.288 10.635 +ATOM 1638 H1 WAT 542 12.287 29.717 10.898 +ATOM 1639 H2 WAT 542 13.508 29.900 10.022 +TER +ATOM 1640 O WAT 543 15.060 25.279 2.528 +ATOM 1641 H1 WAT 543 14.684 24.512 2.096 +ATOM 1642 H2 WAT 543 14.330 25.662 3.016 +TER +ATOM 1643 O WAT 544 14.450 24.426 12.162 +ATOM 1644 H1 WAT 544 14.219 24.198 11.262 +ATOM 1645 H2 WAT 544 14.710 25.346 12.117 +TER +ATOM 1646 O WAT 545 14.335 23.505 5.829 +ATOM 1647 H1 WAT 545 14.859 23.011 5.198 +ATOM 1648 H2 WAT 545 14.921 23.640 6.574 +TER +ATOM 1649 O WAT 546 14.514 23.589 9.351 +ATOM 1650 H1 WAT 546 13.564 23.555 9.466 +ATOM 1651 H2 WAT 546 14.695 24.499 9.116 +TER +ATOM 1652 O WAT 547 13.825 22.762 1.768 +ATOM 1653 H1 WAT 547 14.321 22.530 2.553 +ATOM 1654 H2 WAT 547 13.627 21.924 1.352 +TER +ATOM 1655 O WAT 548 15.254 21.399 4.302 +ATOM 1656 H1 WAT 548 15.144 21.244 5.240 +ATOM 1657 H2 WAT 548 16.015 20.871 4.060 +TER +ATOM 1658 O WAT 549 13.600 17.338 10.760 +ATOM 1659 H1 WAT 549 14.238 17.951 11.126 +ATOM 1660 H2 WAT 549 13.748 17.374 9.815 +TER +ATOM 1661 O WAT 550 6.971 18.491 13.668 +ATOM 1662 H1 WAT 550 6.910 19.083 14.417 +ATOM 1663 H2 WAT 550 7.911 18.383 13.523 +TER +ATOM 1664 O WAT 551 9.608 18.148 13.307 +ATOM 1665 H1 WAT 551 10.222 18.465 12.645 +ATOM 1666 H2 WAT 551 10.153 17.662 13.927 +TER +ATOM 1667 O WAT 552 10.349 16.711 9.634 +ATOM 1668 H1 WAT 552 9.475 17.044 9.431 +ATOM 1669 H2 WAT 552 10.240 16.238 10.459 +TER +ATOM 1670 O WAT 553 11.256 18.918 11.018 +ATOM 1671 H1 WAT 553 10.928 18.103 10.638 +ATOM 1672 H2 WAT 553 12.204 18.875 10.895 +TER +ATOM 1673 O WAT 554 8.097 17.628 8.573 +ATOM 1674 H1 WAT 554 7.314 18.102 8.853 +ATOM 1675 H2 WAT 554 7.803 16.723 8.465 +TER +ATOM 1676 O WAT 555 12.649 18.330 6.618 +ATOM 1677 H1 WAT 555 13.089 18.275 5.770 +ATOM 1678 H2 WAT 555 12.379 19.246 6.689 +TER +ATOM 1679 O WAT 556 14.512 17.962 4.629 +ATOM 1680 H1 WAT 556 14.451 17.018 4.482 +ATOM 1681 H2 WAT 556 15.292 18.070 5.174 +TER +ATOM 1682 O WAT 557 5.982 20.046 4.085 +ATOM 1683 H1 WAT 557 5.169 19.672 3.745 +ATOM 1684 H2 WAT 557 6.486 19.291 4.387 +TER +ATOM 1685 O WAT 558 10.484 16.711 5.323 +ATOM 1686 H1 WAT 558 11.087 17.283 5.798 +ATOM 1687 H2 WAT 558 9.744 17.275 5.101 +TER +ATOM 1688 O WAT 559 4.007 18.196 2.689 +ATOM 1689 H1 WAT 559 3.377 17.495 2.856 +ATOM 1690 H2 WAT 559 3.467 18.957 2.473 +TER +ATOM 1691 O WAT 560 4.132 17.475 15.125 +ATOM 1692 H1 WAT 560 3.851 17.978 14.361 +ATOM 1693 H2 WAT 560 4.514 16.677 14.759 +TER +ATOM 1694 O WAT 561 10.734 16.890 15.703 +ATOM 1695 H1 WAT 561 10.621 17.210 16.598 +ATOM 1696 H2 WAT 561 11.551 17.291 15.406 +TER +ATOM 1697 O WAT 562 9.640 6.135 23.615 +ATOM 1698 H1 WAT 562 9.559 5.221 23.344 +ATOM 1699 H2 WAT 562 9.226 6.632 22.909 +TER +ATOM 1700 O WAT 563 7.772 7.913 25.496 +ATOM 1701 H1 WAT 563 6.996 7.433 25.786 +ATOM 1702 H2 WAT 563 8.423 7.234 25.321 +TER +ATOM 1703 O WAT 564 11.792 12.319 24.276 +ATOM 1704 H1 WAT 564 11.330 11.548 24.604 +ATOM 1705 H2 WAT 564 12.605 12.346 24.781 +TER +ATOM 1706 O WAT 565 1.768 12.259 26.569 +ATOM 1707 H1 WAT 565 2.071 11.369 26.390 +ATOM 1708 H2 WAT 565 2.513 12.816 26.341 +TER +ATOM 1709 O WAT 566 8.019 14.605 23.896 +ATOM 1710 H1 WAT 566 7.400 15.061 23.326 +ATOM 1711 H2 WAT 566 8.874 14.760 23.495 +TER +ATOM 1712 O WAT 567 7.212 10.589 25.503 +ATOM 1713 H1 WAT 567 7.143 9.648 25.342 +ATOM 1714 H2 WAT 567 7.974 10.679 26.075 +TER +ATOM 1715 O WAT 568 8.243 3.396 25.730 +ATOM 1716 H1 WAT 568 8.619 2.523 25.617 +ATOM 1717 H2 WAT 568 8.145 3.732 24.839 +TER +ATOM 1718 O WAT 569 2.374 1.768 21.191 +ATOM 1719 H1 WAT 569 2.480 2.669 21.498 +ATOM 1720 H2 WAT 569 1.463 1.720 20.901 +TER +ATOM 1721 O WAT 570 4.214 4.737 25.524 +ATOM 1722 H1 WAT 570 4.722 5.235 26.165 +ATOM 1723 H2 WAT 570 4.746 3.960 25.348 +TER +ATOM 1724 O WAT 571 16.315 2.907 29.227 +ATOM 1725 H1 WAT 571 15.611 3.296 28.708 +ATOM 1726 H2 WAT 571 16.581 3.602 29.829 +TER +ATOM 1727 O WAT 572 8.885 9.489 21.289 +ATOM 1728 H1 WAT 572 8.267 9.954 20.726 +ATOM 1729 H2 WAT 572 9.397 10.181 21.706 +TER +ATOM 1730 O WAT 573 3.748 9.016 27.968 +ATOM 1731 H1 WAT 573 3.415 9.643 28.610 +ATOM 1732 H2 WAT 573 3.925 9.542 27.188 +TER +ATOM 1733 O WAT 574 12.262 2.831 25.435 +ATOM 1734 H1 WAT 574 11.557 3.119 26.016 +ATOM 1735 H2 WAT 574 12.623 3.641 25.075 +TER +ATOM 1736 O WAT 575 2.960 10.984 29.783 +ATOM 1737 H1 WAT 575 3.577 11.659 29.501 +ATOM 1738 H2 WAT 575 2.099 11.393 29.691 +TER +ATOM 1739 O WAT 576 13.878 12.448 27.698 +ATOM 1740 H1 WAT 576 13.194 13.118 27.690 +ATOM 1741 H2 WAT 576 14.417 12.646 26.933 +TER +ATOM 1742 O WAT 577 15.330 2.276 25.826 +ATOM 1743 H1 WAT 577 14.383 2.310 25.958 +ATOM 1744 H2 WAT 577 15.655 3.090 26.211 +TER +ATOM 1745 O WAT 578 11.414 14.293 26.413 +ATOM 1746 H1 WAT 578 11.426 13.889 25.545 +ATOM 1747 H2 WAT 578 10.861 15.067 26.309 +TER +ATOM 1748 O WAT 579 12.708 11.014 21.502 +ATOM 1749 H1 WAT 579 12.598 10.072 21.627 +ATOM 1750 H2 WAT 579 12.705 11.376 22.388 +TER +ATOM 1751 O WAT 580 10.812 9.196 27.741 +ATOM 1752 H1 WAT 580 11.229 8.982 26.906 +ATOM 1753 H2 WAT 580 11.536 9.453 28.312 +TER +ATOM 1754 O WAT 581 8.250 6.641 20.858 +ATOM 1755 H1 WAT 581 7.323 6.575 21.087 +ATOM 1756 H2 WAT 581 8.403 7.579 20.743 +TER +ATOM 1757 O WAT 582 8.237 2.913 17.855 +ATOM 1758 H1 WAT 582 7.298 3.074 17.940 +ATOM 1759 H2 WAT 582 8.556 3.631 17.308 +TER +ATOM 1760 O WAT 583 14.758 7.594 27.832 +ATOM 1761 H1 WAT 583 13.930 7.664 27.357 +ATOM 1762 H2 WAT 583 15.354 8.180 27.364 +TER +ATOM 1763 O WAT 584 12.280 8.203 21.361 +ATOM 1764 H1 WAT 584 11.661 7.865 20.714 +ATOM 1765 H2 WAT 584 12.262 7.559 22.069 +TER +ATOM 1766 O WAT 585 11.723 4.381 28.778 +ATOM 1767 H1 WAT 585 11.310 5.207 29.032 +ATOM 1768 H2 WAT 585 10.990 3.796 28.586 +TER +ATOM 1769 O WAT 586 3.856 7.167 23.640 +ATOM 1770 H1 WAT 586 3.452 6.455 23.144 +ATOM 1771 H2 WAT 586 3.942 6.823 24.529 +TER +ATOM 1772 O WAT 587 4.324 10.854 25.804 +ATOM 1773 H1 WAT 587 4.027 10.249 25.125 +ATOM 1774 H2 WAT 587 5.274 10.892 25.693 +TER +ATOM 1775 O WAT 588 2.569 3.942 27.420 +ATOM 1776 H1 WAT 588 3.120 4.051 26.645 +ATOM 1777 H2 WAT 588 3.083 4.315 28.135 +TER +ATOM 1778 O WAT 589 12.413 14.427 29.466 +ATOM 1779 H1 WAT 589 11.936 15.235 29.273 +ATOM 1780 H2 WAT 589 11.729 13.775 29.619 +TER +ATOM 1781 O WAT 590 10.456 7.442 18.369 +ATOM 1782 H1 WAT 590 10.896 6.604 18.222 +ATOM 1783 H2 WAT 590 11.169 8.075 18.455 +TER +ATOM 1784 O WAT 591 8.566 12.381 22.337 +ATOM 1785 H1 WAT 591 9.006 13.124 21.922 +ATOM 1786 H2 WAT 591 8.505 12.624 23.261 +TER +ATOM 1787 O WAT 592 11.233 15.368 19.693 +ATOM 1788 H1 WAT 592 11.073 15.078 20.591 +ATOM 1789 H2 WAT 592 11.068 14.592 19.158 +TER +ATOM 1790 O WAT 593 3.712 15.148 21.470 +ATOM 1791 H1 WAT 593 3.536 14.232 21.257 +ATOM 1792 H2 WAT 593 2.857 15.507 21.710 +TER +ATOM 1793 O WAT 594 10.936 12.877 18.253 +ATOM 1794 H1 WAT 594 10.242 12.875 17.593 +ATOM 1795 H2 WAT 594 11.678 12.453 17.822 +TER +ATOM 1796 O WAT 595 10.501 14.503 22.328 +ATOM 1797 H1 WAT 595 10.956 13.722 22.642 +ATOM 1798 H2 WAT 595 10.840 15.214 22.872 +TER +ATOM 1799 O WAT 596 2.814 4.529 22.251 +ATOM 1800 H1 WAT 596 2.588 4.312 23.156 +ATOM 1801 H2 WAT 596 2.033 4.962 21.906 +TER +ATOM 1802 O WAT 597 10.044 4.535 20.850 +ATOM 1803 H1 WAT 597 9.445 5.259 20.666 +ATOM 1804 H2 WAT 597 10.592 4.473 20.068 +TER +ATOM 1805 O WAT 598 8.650 3.171 22.880 +ATOM 1806 H1 WAT 598 9.043 3.489 22.067 +ATOM 1807 H2 WAT 598 9.012 2.293 22.995 +TER +ATOM 1808 O WAT 599 9.236 5.762 26.975 +ATOM 1809 H1 WAT 599 8.504 6.271 27.324 +ATOM 1810 H2 WAT 599 8.838 4.945 26.674 +TER +ATOM 1811 O WAT 600 5.674 2.437 25.381 +ATOM 1812 H1 WAT 600 5.677 1.996 24.531 +ATOM 1813 H2 WAT 600 6.569 2.759 25.488 +TER +ATOM 1814 O WAT 601 5.736 3.439 18.371 +ATOM 1815 H1 WAT 601 5.857 3.397 19.320 +ATOM 1816 H2 WAT 601 5.351 4.301 18.216 +TER +ATOM 1817 O WAT 602 4.748 5.749 17.770 +ATOM 1818 H1 WAT 602 4.180 5.301 17.143 +ATOM 1819 H2 WAT 602 5.457 6.108 17.236 +TER +ATOM 1820 O WAT 603 5.975 6.498 27.127 +ATOM 1821 H1 WAT 603 6.342 6.023 27.873 +ATOM 1822 H2 WAT 603 5.785 7.372 27.468 +TER +ATOM 1823 O WAT 604 3.764 5.538 29.446 +ATOM 1824 H1 WAT 604 3.460 6.418 29.671 +ATOM 1825 H2 WAT 604 4.719 5.598 29.481 +TER +ATOM 1826 O WAT 605 2.293 9.745 20.042 +ATOM 1827 H1 WAT 605 1.519 9.204 19.882 +ATOM 1828 H2 WAT 605 3.022 9.225 19.704 +TER +ATOM 1829 O WAT 606 13.051 8.741 25.835 +ATOM 1830 H1 WAT 606 13.771 9.237 25.445 +ATOM 1831 H2 WAT 606 12.850 8.063 25.190 +TER +ATOM 1832 O WAT 607 11.227 4.507 18.274 +ATOM 1833 H1 WAT 607 12.115 4.819 18.099 +ATOM 1834 H2 WAT 607 11.198 3.634 17.882 +TER +ATOM 1835 O WAT 608 2.336 9.413 23.680 +ATOM 1836 H1 WAT 608 2.854 8.609 23.626 +ATOM 1837 H2 WAT 608 1.885 9.351 24.522 +TER +ATOM 1838 O WAT 609 7.223 10.679 18.953 +ATOM 1839 H1 WAT 609 7.565 11.423 18.457 +ATOM 1840 H2 WAT 609 6.395 10.992 19.315 +TER +ATOM 1841 O WAT 610 13.499 5.818 17.742 +ATOM 1842 H1 WAT 610 13.415 6.249 16.892 +ATOM 1843 H2 WAT 610 14.218 6.278 18.175 +TER +ATOM 1844 O WAT 611 14.527 12.672 20.470 +ATOM 1845 H1 WAT 611 13.885 12.018 20.745 +ATOM 1846 H2 WAT 611 14.140 13.078 19.694 +TER +ATOM 1847 O WAT 612 10.106 10.001 24.318 +ATOM 1848 H1 WAT 612 10.458 9.404 23.658 +ATOM 1849 H2 WAT 612 9.222 9.675 24.488 +TER +ATOM 1850 O WAT 613 6.192 10.761 21.725 +ATOM 1851 H1 WAT 613 6.880 11.308 22.105 +ATOM 1852 H2 WAT 613 5.406 11.305 21.760 +TER +ATOM 1853 O WAT 614 5.495 7.765 21.337 +ATOM 1854 H1 WAT 614 5.951 8.576 21.563 +ATOM 1855 H2 WAT 614 5.144 7.447 22.169 +TER +ATOM 1856 O WAT 615 7.798 13.276 28.566 +ATOM 1857 H1 WAT 615 8.443 13.482 29.244 +ATOM 1858 H2 WAT 615 8.161 12.515 28.113 +TER +ATOM 1859 O WAT 616 9.072 11.279 27.284 +ATOM 1860 H1 WAT 616 9.714 10.578 27.397 +ATOM 1861 H2 WAT 616 9.597 12.059 27.104 +TER +ATOM 1862 O WAT 617 12.499 9.481 18.669 +ATOM 1863 H1 WAT 617 12.211 9.942 19.457 +ATOM 1864 H2 WAT 617 13.294 9.021 18.938 +TER +ATOM 1865 O WAT 618 4.716 12.974 18.600 +ATOM 1866 H1 WAT 618 4.707 13.707 17.984 +ATOM 1867 H2 WAT 618 3.795 12.727 18.692 +TER +ATOM 1868 O WAT 619 9.890 2.360 29.020 +ATOM 1869 H1 WAT 619 10.258 1.540 29.348 +ATOM 1870 H2 WAT 619 9.029 2.420 29.436 +TER +ATOM 1871 O WAT 620 7.702 13.037 17.262 +ATOM 1872 H1 WAT 620 7.803 12.833 16.333 +ATOM 1873 H2 WAT 620 6.802 12.782 17.467 +TER +ATOM 1874 O WAT 621 5.224 3.595 21.245 +ATOM 1875 H1 WAT 621 4.516 4.063 21.686 +ATOM 1876 H2 WAT 621 5.509 2.937 21.879 +TER +ATOM 1877 O WAT 622 6.850 5.014 29.244 +ATOM 1878 H1 WAT 622 7.348 5.489 29.909 +ATOM 1879 H2 WAT 622 6.992 4.091 29.451 +TER +ATOM 1880 O WAT 623 6.343 15.555 21.957 +ATOM 1881 H1 WAT 623 6.598 15.517 21.035 +ATOM 1882 H2 WAT 623 5.395 15.429 21.950 +TER +ATOM 1883 O WAT 624 3.428 1.903 18.620 +ATOM 1884 H1 WAT 624 4.277 2.340 18.554 +ATOM 1885 H2 WAT 624 3.061 2.215 19.447 +TER +ATOM 1886 O WAT 625 12.349 6.474 23.533 +ATOM 1887 H1 WAT 625 11.408 6.489 23.708 +ATOM 1888 H2 WAT 625 12.663 5.688 23.979 +TER +ATOM 1889 O WAT 626 2.327 8.156 17.093 +ATOM 1890 H1 WAT 626 3.093 8.044 17.656 +ATOM 1891 H2 WAT 626 2.404 7.460 16.441 +TER +ATOM 1892 O WAT 627 14.351 13.645 25.208 +ATOM 1893 H1 WAT 627 14.476 14.468 25.681 +ATOM 1894 H2 WAT 627 15.218 13.434 24.861 +TER +ATOM 1895 O WAT 628 1.823 15.738 24.880 +ATOM 1896 H1 WAT 628 2.559 15.190 25.151 +ATOM 1897 H2 WAT 628 2.207 16.604 24.741 +TER +ATOM 1898 O WAT 629 4.933 14.911 16.703 +ATOM 1899 H1 WAT 629 5.726 15.200 16.251 +ATOM 1900 H2 WAT 629 4.414 14.481 16.024 +TER +ATOM 1901 O WAT 630 5.451 10.132 16.567 +ATOM 1902 H1 WAT 630 5.346 9.517 17.293 +ATOM 1903 H2 WAT 630 5.283 9.608 15.783 +TER +ATOM 1904 O WAT 631 8.691 9.194 17.171 +ATOM 1905 H1 WAT 631 8.142 9.641 17.815 +ATOM 1906 H2 WAT 631 9.313 8.689 17.695 +TER +ATOM 1907 O WAT 632 4.359 8.153 19.068 +ATOM 1908 H1 WAT 632 4.780 7.987 19.911 +ATOM 1909 H2 WAT 632 4.484 7.343 18.573 +TER +ATOM 1910 O WAT 633 6.871 7.177 16.315 +ATOM 1911 H1 WAT 633 7.392 6.462 15.949 +ATOM 1912 H2 WAT 633 7.518 7.815 16.615 +TER +ATOM 1913 O WAT 634 6.181 8.551 29.608 +ATOM 1914 H1 WAT 634 6.600 9.395 29.436 +ATOM 1915 H2 WAT 634 5.262 8.689 29.379 +TER +ATOM 1916 O WAT 635 10.856 6.837 29.568 +ATOM 1917 H1 WAT 635 10.329 7.361 28.965 +ATOM 1918 H2 WAT 635 11.199 7.470 30.199 +TER +ATOM 1919 O WAT 636 3.255 4.226 16.013 +ATOM 1920 H1 WAT 636 3.054 3.363 16.375 +ATOM 1921 H2 WAT 636 3.084 4.139 15.076 +TER +ATOM 1922 O WAT 637 7.436 15.258 18.605 +ATOM 1923 H1 WAT 637 8.331 15.596 18.627 +ATOM 1924 H2 WAT 637 7.468 14.536 17.978 +TER +ATOM 1925 O WAT 638 2.887 11.750 21.946 +ATOM 1926 H1 WAT 638 2.586 11.627 22.847 +ATOM 1927 H2 WAT 638 2.780 10.891 21.538 +TER +ATOM 1928 O WAT 639 15.112 8.275 19.152 +ATOM 1929 H1 WAT 639 15.873 8.844 19.258 +ATOM 1930 H2 WAT 639 15.127 7.707 19.923 +TER +ATOM 1931 O WAT 640 16.118 9.130 23.997 +ATOM 1932 H1 WAT 640 16.488 8.346 23.590 +ATOM 1933 H2 WAT 640 16.758 9.819 23.818 +TER +ATOM 1934 O WAT 641 13.101 10.513 29.410 +ATOM 1935 H1 WAT 641 12.287 10.943 29.672 +ATOM 1936 H2 WAT 641 13.508 11.125 28.797 +TER +ATOM 1937 O WAT 642 15.163 8.568 16.310 +ATOM 1938 H1 WAT 642 15.438 9.476 16.182 +ATOM 1939 H2 WAT 642 14.974 8.504 17.246 +TER +ATOM 1940 O WAT 643 15.060 6.505 21.303 +ATOM 1941 H1 WAT 643 14.684 5.738 20.871 +ATOM 1942 H2 WAT 643 14.330 6.887 21.790 +TER +ATOM 1943 O WAT 644 14.335 4.731 24.603 +ATOM 1944 H1 WAT 644 14.859 4.237 23.972 +ATOM 1945 H2 WAT 644 14.921 4.866 25.348 +TER +ATOM 1946 O WAT 645 14.514 4.815 28.125 +ATOM 1947 H1 WAT 645 13.564 4.781 28.240 +ATOM 1948 H2 WAT 645 14.695 5.725 27.890 +TER +ATOM 1949 O WAT 646 13.825 3.988 20.543 +ATOM 1950 H1 WAT 646 14.321 3.755 21.328 +ATOM 1951 H2 WAT 646 13.627 3.149 20.126 +TER +ATOM 1952 O WAT 647 15.254 2.624 23.076 +ATOM 1953 H1 WAT 647 15.144 2.470 24.015 +ATOM 1954 H2 WAT 647 16.015 2.096 22.834 +TER +ATOM 1955 O WAT 648 13.158 15.265 22.937 +ATOM 1956 H1 WAT 648 13.754 14.944 22.260 +ATOM 1957 H2 WAT 648 13.416 14.792 23.728 +TER +ATOM 1958 O WAT 649 4.765 13.253 28.687 +ATOM 1959 H1 WAT 649 4.524 13.520 27.800 +ATOM 1960 H2 WAT 649 5.706 13.424 28.742 +TER +ATOM 1961 O WAT 650 16.026 15.272 29.488 +ATOM 1962 H1 WAT 650 15.532 15.669 28.770 +ATOM 1963 H2 WAT 650 15.417 14.647 29.881 +TER +ATOM 1964 O WAT 651 13.710 15.915 26.766 +ATOM 1965 H1 WAT 651 13.250 16.666 26.392 +ATOM 1966 H2 WAT 651 13.081 15.195 26.708 +TER +ATOM 1967 O WAT 652 4.139 14.224 25.941 +ATOM 1968 H1 WAT 652 4.656 13.612 25.416 +ATOM 1969 H2 WAT 652 4.789 14.726 26.432 +TER +ATOM 1970 O WAT 653 6.879 15.114 26.768 +ATOM 1971 H1 WAT 653 7.167 14.860 25.891 +ATOM 1972 H2 WAT 653 7.391 14.562 27.359 +TER +ATOM 1973 O WAT 654 15.181 15.579 21.132 +ATOM 1974 H1 WAT 654 15.356 14.892 20.488 +ATOM 1975 H2 WAT 654 14.483 16.103 20.740 +TER +ATOM 1976 O WAT 655 3.023 15.968 18.686 +ATOM 1977 H1 WAT 655 3.755 15.684 18.138 +ATOM 1978 H2 WAT 655 3.283 15.729 19.576 +TER +ATOM 1979 O WAT 656 2.185 12.085 18.690 +ATOM 1980 H1 WAT 656 1.556 12.553 19.239 +ATOM 1981 H2 WAT 656 2.300 11.239 19.125 +TER +ATOM 1982 O WAT 657 9.640 6.135 4.841 +ATOM 1983 H1 WAT 657 9.559 5.221 4.570 +ATOM 1984 H2 WAT 657 9.226 6.632 4.135 +TER +ATOM 1985 O WAT 658 7.772 7.913 6.721 +ATOM 1986 H1 WAT 658 6.996 7.433 7.011 +ATOM 1987 H2 WAT 658 8.423 7.234 6.547 +TER +ATOM 1988 O WAT 659 11.792 12.319 5.501 +ATOM 1989 H1 WAT 659 11.330 11.548 5.830 +ATOM 1990 H2 WAT 659 12.605 12.346 6.007 +TER +ATOM 1991 O WAT 660 1.768 12.259 7.795 +ATOM 1992 H1 WAT 660 2.071 11.369 7.616 +ATOM 1993 H2 WAT 660 2.513 12.816 7.567 +TER +ATOM 1994 O WAT 661 8.019 14.605 5.122 +ATOM 1995 H1 WAT 661 7.400 15.061 4.551 +ATOM 1996 H2 WAT 661 8.874 14.760 4.721 +TER +ATOM 1997 O WAT 662 7.212 10.589 6.728 +ATOM 1998 H1 WAT 662 7.143 9.648 6.567 +ATOM 1999 H2 WAT 662 7.974 10.679 7.301 +TER +ATOM 2000 O WAT 663 8.243 3.396 6.955 +ATOM 2001 H1 WAT 663 8.619 2.523 6.843 +ATOM 2002 H2 WAT 663 8.145 3.732 6.064 +TER +ATOM 2003 O WAT 664 2.374 1.768 2.417 +ATOM 2004 H1 WAT 664 2.480 2.669 2.724 +ATOM 2005 H2 WAT 664 1.463 1.720 2.127 +TER +ATOM 2006 O WAT 665 4.214 4.737 6.750 +ATOM 2007 H1 WAT 665 4.722 5.235 7.390 +ATOM 2008 H2 WAT 665 4.746 3.960 6.574 +TER +ATOM 2009 O WAT 666 16.315 2.907 10.453 +ATOM 2010 H1 WAT 666 15.611 3.296 9.934 +ATOM 2011 H2 WAT 666 16.581 3.602 11.055 +TER +ATOM 2012 O WAT 667 8.885 9.489 2.515 +ATOM 2013 H1 WAT 667 8.267 9.954 1.951 +ATOM 2014 H2 WAT 667 9.397 10.181 2.932 +TER +ATOM 2015 O WAT 668 3.748 9.016 9.193 +ATOM 2016 H1 WAT 668 3.415 9.643 9.835 +ATOM 2017 H2 WAT 668 3.925 9.542 8.414 +TER +ATOM 2018 O WAT 669 12.262 2.831 6.661 +ATOM 2019 H1 WAT 669 11.557 3.119 7.241 +ATOM 2020 H2 WAT 669 12.623 3.641 6.301 +TER +ATOM 2021 O WAT 670 2.960 10.984 11.008 +ATOM 2022 H1 WAT 670 3.577 11.659 10.727 +ATOM 2023 H2 WAT 670 2.099 11.393 10.917 +TER +ATOM 2024 O WAT 671 13.878 12.448 8.924 +ATOM 2025 H1 WAT 671 13.194 13.118 8.915 +ATOM 2026 H2 WAT 671 14.417 12.646 8.158 +TER +ATOM 2027 O WAT 672 15.330 2.276 7.052 +ATOM 2028 H1 WAT 672 14.383 2.310 7.183 +ATOM 2029 H2 WAT 672 15.655 3.090 7.437 +TER +ATOM 2030 O WAT 673 11.414 14.293 7.638 +ATOM 2031 H1 WAT 673 11.426 13.889 6.770 +ATOM 2032 H2 WAT 673 10.861 15.067 7.534 +TER +ATOM 2033 O WAT 674 12.708 11.014 2.727 +ATOM 2034 H1 WAT 674 12.598 10.072 2.852 +ATOM 2035 H2 WAT 674 12.705 11.376 3.614 +TER +ATOM 2036 O WAT 675 10.812 9.196 8.967 +ATOM 2037 H1 WAT 675 11.229 8.982 8.132 +ATOM 2038 H2 WAT 675 11.536 9.453 9.537 +TER +ATOM 2039 O WAT 676 8.250 6.641 2.084 +ATOM 2040 H1 WAT 676 7.323 6.575 2.312 +ATOM 2041 H2 WAT 676 8.403 7.579 1.969 +TER +ATOM 2042 O WAT 677 14.758 7.594 9.058 +ATOM 2043 H1 WAT 677 13.930 7.664 8.583 +ATOM 2044 H2 WAT 677 15.354 8.180 8.590 +TER +ATOM 2045 O WAT 678 12.280 8.203 2.587 +ATOM 2046 H1 WAT 678 11.661 7.865 1.940 +ATOM 2047 H2 WAT 678 12.262 7.559 3.295 +TER +ATOM 2048 O WAT 679 11.723 4.381 10.004 +ATOM 2049 H1 WAT 679 11.310 5.207 10.258 +ATOM 2050 H2 WAT 679 10.990 3.796 9.811 +TER +ATOM 2051 O WAT 680 3.856 7.167 4.865 +ATOM 2052 H1 WAT 680 3.452 6.455 4.370 +ATOM 2053 H2 WAT 680 3.942 6.823 5.754 +TER +ATOM 2054 O WAT 681 4.324 10.854 7.029 +ATOM 2055 H1 WAT 681 4.027 10.249 6.350 +ATOM 2056 H2 WAT 681 5.274 10.892 6.918 +TER +ATOM 2057 O WAT 682 2.569 3.942 8.645 +ATOM 2058 H1 WAT 682 3.120 4.051 7.871 +ATOM 2059 H2 WAT 682 3.083 4.315 9.361 +TER +ATOM 2060 O WAT 683 12.413 14.427 10.692 +ATOM 2061 H1 WAT 683 11.936 15.235 10.499 +ATOM 2062 H2 WAT 683 11.729 13.775 10.844 +TER +ATOM 2063 O WAT 684 3.416 10.592 13.680 +ATOM 2064 H1 WAT 684 2.519 10.816 13.928 +ATOM 2065 H2 WAT 684 3.441 10.716 12.731 +TER +ATOM 2066 O WAT 685 8.566 12.381 3.562 +ATOM 2067 H1 WAT 685 9.006 13.124 3.148 +ATOM 2068 H2 WAT 685 8.505 12.624 4.486 +TER +ATOM 2069 O WAT 686 4.041 13.406 14.464 +ATOM 2070 H1 WAT 686 4.013 13.810 13.597 +ATOM 2071 H2 WAT 686 3.878 12.477 14.302 +TER +ATOM 2072 O WAT 687 9.258 15.083 11.490 +ATOM 2073 H1 WAT 687 9.772 14.993 12.293 +ATOM 2074 H2 WAT 687 8.415 15.429 11.783 +TER +ATOM 2075 O WAT 688 3.712 15.148 2.696 +ATOM 2076 H1 WAT 688 3.536 14.232 2.483 +ATOM 2077 H2 WAT 688 2.857 15.507 2.936 +TER +ATOM 2078 O WAT 689 10.501 14.503 3.553 +ATOM 2079 H1 WAT 689 10.956 13.722 3.867 +ATOM 2080 H2 WAT 689 10.840 15.214 4.098 +TER +ATOM 2081 O WAT 690 15.248 3.433 13.886 +ATOM 2082 H1 WAT 690 14.633 3.941 13.357 +ATOM 2083 H2 WAT 690 14.928 2.533 13.828 +TER +ATOM 2084 O WAT 691 12.310 3.493 12.482 +ATOM 2085 H1 WAT 691 11.460 3.194 12.803 +ATOM 2086 H2 WAT 691 12.150 3.737 11.570 +TER +ATOM 2087 O WAT 692 9.405 4.993 14.582 +ATOM 2088 H1 WAT 692 9.731 4.160 14.242 +ATOM 2089 H2 WAT 692 10.193 5.516 14.729 +TER +ATOM 2090 O WAT 693 2.814 4.529 3.477 +ATOM 2091 H1 WAT 693 2.588 4.312 4.381 +ATOM 2092 H2 WAT 693 2.033 4.962 3.131 +TER +ATOM 2093 O WAT 694 10.044 4.535 2.076 +ATOM 2094 H1 WAT 694 9.445 5.259 1.892 +ATOM 2095 H2 WAT 694 10.592 4.473 1.293 +TER +ATOM 2096 O WAT 695 5.254 5.427 14.143 +ATOM 2097 H1 WAT 695 5.158 4.487 13.993 +ATOM 2098 H2 WAT 695 6.097 5.649 13.747 +TER +ATOM 2099 O WAT 696 8.650 3.171 4.106 +ATOM 2100 H1 WAT 696 9.043 3.489 3.293 +ATOM 2101 H2 WAT 696 9.012 2.293 4.220 +TER +ATOM 2102 O WAT 697 6.960 1.922 15.366 +ATOM 2103 H1 WAT 697 6.270 1.729 16.000 +ATOM 2104 H2 WAT 697 7.703 2.206 15.898 +TER +ATOM 2105 O WAT 698 9.236 5.762 8.201 +ATOM 2106 H1 WAT 698 8.504 6.271 8.550 +ATOM 2107 H2 WAT 698 8.838 4.945 7.900 +TER +ATOM 2108 O WAT 699 5.674 2.437 6.606 +ATOM 2109 H1 WAT 699 5.677 1.996 5.757 +ATOM 2110 H2 WAT 699 6.569 2.759 6.714 +TER +ATOM 2111 O WAT 700 5.975 6.498 8.353 +ATOM 2112 H1 WAT 700 6.342 6.023 9.099 +ATOM 2113 H2 WAT 700 5.785 7.372 8.694 +TER +ATOM 2114 O WAT 701 3.764 5.538 10.671 +ATOM 2115 H1 WAT 701 3.460 6.418 10.896 +ATOM 2116 H2 WAT 701 4.719 5.598 10.707 +TER +ATOM 2117 O WAT 702 13.051 8.741 7.061 +ATOM 2118 H1 WAT 702 13.771 9.237 6.670 +ATOM 2119 H2 WAT 702 12.850 8.063 6.416 +TER +ATOM 2120 O WAT 703 8.433 8.812 12.948 +ATOM 2121 H1 WAT 703 8.367 7.892 12.693 +ATOM 2122 H2 WAT 703 7.804 8.910 13.662 +TER +ATOM 2123 O WAT 704 2.336 9.413 4.906 +ATOM 2124 H1 WAT 704 2.854 8.609 4.852 +ATOM 2125 H2 WAT 704 1.885 9.351 5.748 +TER +ATOM 2126 O WAT 705 3.022 6.837 14.702 +ATOM 2127 H1 WAT 705 2.722 6.983 13.805 +ATOM 2128 H2 WAT 705 3.793 6.278 14.610 +TER +ATOM 2129 O WAT 706 8.365 11.634 12.698 +ATOM 2130 H1 WAT 706 8.379 10.702 12.480 +ATOM 2131 H2 WAT 706 7.657 11.720 13.337 +TER +ATOM 2132 O WAT 707 14.576 8.275 12.045 +ATOM 2133 H1 WAT 707 13.851 8.868 11.848 +ATOM 2134 H2 WAT 707 15.104 8.267 11.246 +TER +ATOM 2135 O WAT 708 10.106 10.001 5.543 +ATOM 2136 H1 WAT 708 10.458 9.404 4.883 +ATOM 2137 H2 WAT 708 9.222 9.675 5.714 +TER +ATOM 2138 O WAT 709 6.192 10.761 2.950 +ATOM 2139 H1 WAT 709 6.880 11.308 3.331 +ATOM 2140 H2 WAT 709 5.406 11.305 2.985 +TER +ATOM 2141 O WAT 710 5.495 7.765 2.563 +ATOM 2142 H1 WAT 710 5.951 8.576 2.789 +ATOM 2143 H2 WAT 710 5.144 7.447 3.395 +TER +ATOM 2144 O WAT 711 7.798 13.276 9.792 +ATOM 2145 H1 WAT 711 8.443 13.482 10.469 +ATOM 2146 H2 WAT 711 8.161 12.515 9.339 +TER +ATOM 2147 O WAT 712 9.072 11.279 8.510 +ATOM 2148 H1 WAT 712 9.714 10.578 8.623 +ATOM 2149 H2 WAT 712 9.597 12.059 8.329 +TER +ATOM 2150 O WAT 713 10.845 12.079 11.713 +ATOM 2151 H1 WAT 713 11.181 12.665 12.391 +ATOM 2152 H2 WAT 713 9.925 11.948 11.943 +TER +ATOM 2153 O WAT 714 6.674 12.128 14.882 +ATOM 2154 H1 WAT 714 6.354 11.409 15.427 +ATOM 2155 H2 WAT 714 6.000 12.803 14.956 +TER +ATOM 2156 O WAT 715 9.890 2.360 10.246 +ATOM 2157 H1 WAT 715 10.258 1.540 10.574 +ATOM 2158 H2 WAT 715 9.029 2.420 10.661 +TER +ATOM 2159 O WAT 716 5.224 3.595 2.470 +ATOM 2160 H1 WAT 716 4.516 4.063 2.912 +ATOM 2161 H2 WAT 716 5.509 2.937 3.105 +TER +ATOM 2162 O WAT 717 6.850 5.014 10.470 +ATOM 2163 H1 WAT 717 7.348 5.489 11.135 +ATOM 2164 H2 WAT 717 6.992 4.091 10.677 +TER +ATOM 2165 O WAT 718 6.343 15.555 3.183 +ATOM 2166 H1 WAT 718 6.598 15.517 2.261 +ATOM 2167 H2 WAT 718 5.395 15.429 3.176 +TER +ATOM 2168 O WAT 719 12.349 6.474 4.759 +ATOM 2169 H1 WAT 719 11.408 6.489 4.933 +ATOM 2170 H2 WAT 719 12.663 5.688 5.205 +TER +ATOM 2171 O WAT 720 14.351 13.645 6.434 +ATOM 2172 H1 WAT 720 14.476 14.468 6.906 +ATOM 2173 H2 WAT 720 15.218 13.434 6.086 +TER +ATOM 2174 O WAT 721 1.823 15.738 6.106 +ATOM 2175 H1 WAT 721 2.559 15.190 6.377 +ATOM 2176 H2 WAT 721 2.207 16.604 5.966 +TER +ATOM 2177 O WAT 722 9.665 11.031 15.242 +ATOM 2178 H1 WAT 722 9.059 11.054 14.501 +ATOM 2179 H2 WAT 722 9.361 10.299 15.779 +TER +ATOM 2180 O WAT 723 11.095 14.759 13.853 +ATOM 2181 H1 WAT 723 12.047 14.675 13.803 +ATOM 2182 H2 WAT 723 10.948 15.423 14.526 +TER +ATOM 2183 O WAT 724 5.602 8.817 13.771 +ATOM 2184 H1 WAT 724 4.837 9.386 13.687 +ATOM 2185 H2 WAT 724 5.784 8.525 12.878 +TER +ATOM 2186 O WAT 725 12.745 10.548 14.329 +ATOM 2187 H1 WAT 725 13.486 10.886 13.826 +ATOM 2188 H2 WAT 725 11.982 10.717 13.776 +TER +ATOM 2189 O WAT 726 2.521 4.132 13.100 +ATOM 2190 H1 WAT 726 1.991 3.642 12.473 +ATOM 2191 H2 WAT 726 3.190 4.561 12.566 +TER +ATOM 2192 O WAT 727 11.419 8.599 12.864 +ATOM 2193 H1 WAT 727 11.833 8.754 13.714 +ATOM 2194 H2 WAT 727 10.484 8.725 13.027 +TER +ATOM 2195 O WAT 728 11.891 5.939 14.868 +ATOM 2196 H1 WAT 728 12.474 5.184 14.780 +ATOM 2197 H2 WAT 728 12.068 6.470 14.092 +TER +ATOM 2198 O WAT 729 6.181 8.551 10.834 +ATOM 2199 H1 WAT 729 6.600 9.395 10.662 +ATOM 2200 H2 WAT 729 5.262 8.689 10.605 +TER +ATOM 2201 O WAT 730 8.517 6.283 12.218 +ATOM 2202 H1 WAT 730 8.637 5.687 12.957 +ATOM 2203 H2 WAT 730 9.377 6.320 11.798 +TER +ATOM 2204 O WAT 731 10.856 6.837 10.794 +ATOM 2205 H1 WAT 731 10.329 7.361 10.191 +ATOM 2206 H2 WAT 731 11.199 7.470 11.425 +TER +ATOM 2207 O WAT 732 4.032 14.857 11.950 +ATOM 2208 H1 WAT 732 3.494 15.581 11.631 +ATOM 2209 H2 WAT 732 4.285 14.380 11.160 +TER +ATOM 2210 O WAT 733 5.284 2.825 13.475 +ATOM 2211 H1 WAT 733 5.874 2.517 14.163 +ATOM 2212 H2 WAT 733 4.466 2.353 13.631 +TER +ATOM 2213 O WAT 734 10.103 2.442 13.709 +ATOM 2214 H1 WAT 734 9.415 1.780 13.644 +ATOM 2215 H2 WAT 734 10.824 1.996 14.154 +TER +ATOM 2216 O WAT 735 6.888 16.092 12.208 +ATOM 2217 H1 WAT 735 6.814 16.995 12.516 +ATOM 2218 H2 WAT 735 5.986 15.773 12.181 +TER +ATOM 2219 O WAT 736 2.887 11.750 3.172 +ATOM 2220 H1 WAT 736 2.586 11.627 4.072 +ATOM 2221 H2 WAT 736 2.780 10.891 2.764 +TER +ATOM 2222 O WAT 737 16.118 9.130 5.222 +ATOM 2223 H1 WAT 737 16.488 8.346 4.816 +ATOM 2224 H2 WAT 737 16.758 9.819 5.044 +TER +ATOM 2225 O WAT 738 13.101 10.513 10.635 +ATOM 2226 H1 WAT 738 12.287 10.943 10.898 +ATOM 2227 H2 WAT 738 13.508 11.125 10.022 +TER +ATOM 2228 O WAT 739 15.060 6.505 2.528 +ATOM 2229 H1 WAT 739 14.684 5.738 2.096 +ATOM 2230 H2 WAT 739 14.330 6.887 3.016 +TER +ATOM 2231 O WAT 740 14.450 5.652 12.162 +ATOM 2232 H1 WAT 740 14.219 5.423 11.262 +ATOM 2233 H2 WAT 740 14.710 6.572 12.117 +TER +ATOM 2234 O WAT 741 14.335 4.731 5.829 +ATOM 2235 H1 WAT 741 14.859 4.237 5.198 +ATOM 2236 H2 WAT 741 14.921 4.866 6.574 +TER +ATOM 2237 O WAT 742 14.514 4.815 9.351 +ATOM 2238 H1 WAT 742 13.564 4.781 9.466 +ATOM 2239 H2 WAT 742 14.695 5.725 9.116 +TER +ATOM 2240 O WAT 743 13.825 3.988 1.768 +ATOM 2241 H1 WAT 743 14.321 3.755 2.553 +ATOM 2242 H2 WAT 743 13.627 3.149 1.352 +TER +ATOM 2243 O WAT 744 15.254 2.624 4.302 +ATOM 2244 H1 WAT 744 15.144 2.470 5.240 +ATOM 2245 H2 WAT 744 16.015 2.096 4.060 +TER +ATOM 2246 O WAT 745 13.158 15.265 4.162 +ATOM 2247 H1 WAT 745 13.754 14.944 3.486 +ATOM 2248 H2 WAT 745 13.416 14.792 4.954 +TER +ATOM 2249 O WAT 746 4.765 13.253 9.912 +ATOM 2250 H1 WAT 746 4.524 13.520 9.025 +ATOM 2251 H2 WAT 746 5.706 13.424 9.967 +TER +ATOM 2252 O WAT 747 16.026 15.272 10.713 +ATOM 2253 H1 WAT 747 15.532 15.669 9.996 +ATOM 2254 H2 WAT 747 15.417 14.647 11.107 +TER +ATOM 2255 O WAT 748 13.710 15.915 7.992 +ATOM 2256 H1 WAT 748 13.250 16.666 7.618 +ATOM 2257 H2 WAT 748 13.081 15.195 7.933 +TER +ATOM 2258 O WAT 749 4.139 14.224 7.167 +ATOM 2259 H1 WAT 749 4.656 13.612 6.642 +ATOM 2260 H2 WAT 749 4.789 14.726 7.658 +TER +ATOM 2261 O WAT 750 6.879 15.114 7.994 +ATOM 2262 H1 WAT 750 7.167 14.860 7.117 +ATOM 2263 H2 WAT 750 7.391 14.562 8.584 +TER +ATOM 2264 O WAT 751 6.946 16.036 15.360 +ATOM 2265 H1 WAT 751 7.873 15.800 15.404 +ATOM 2266 H2 WAT 751 6.931 16.863 14.879 +TER +ATOM 2267 O WAT 752 15.181 15.579 2.358 +ATOM 2268 H1 WAT 752 15.356 14.892 1.714 +ATOM 2269 H2 WAT 752 14.483 16.103 1.966 +TER +END diff --git a/src/data/alanine-dipeptide-explicit/alanine-dipeptide.prmtop b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.prmtop new file mode 100644 index 000000000..d41b9e2ce --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/alanine-dipeptide.prmtop @@ -0,0 +1,4430 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 12/02/09 14:14:48 +%FLAG TITLE +%FORMAT(20a4) +ACE +%FLAG POINTERS +%FORMAT(10I8) + 2269 9 2259 9 25 11 35 17 0 0 + 3095 752 9 11 17 10 16 13 9 1 + 0 0 0 0 0 0 0 1 10 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +HH31CH3 HH32HH33C O N H CA HA CB HB1 HB2 HB3 C O N H CH3 HH31 +HH32HH33O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 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OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW +%FLAG TREE_CHAIN_CLASSIFICATION +%FORMAT(20a4) +M M E E M E M E M E 3 E E E M E M E M E +E E BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA +%FLAG JOIN_ARRAY +%FORMAT(10I8) + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 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8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 diff --git a/src/data/alanine-dipeptide-explicit/leap.log b/src/data/alanine-dipeptide-explicit/leap.log new file mode 100644 index 000000000..72cbb0a0f --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/leap.log @@ -0,0 +1,408 @@ +log started: Wed Dec 2 14:14:48 2009 + +Log file: ./leap.log +>> # +>> # ----- leaprc for loading the Cornell et al. topology and +>> # parm96.dat for proteins +>> # assumes that any unspecified nucleic acids are DNA +>> # +>> # load atom type hybridizations +>> # +>> addAtomTypes { +>> { "H" "H" "sp3" } +>> { "HO" "H" "sp3" } +>> { "HS" "H" "sp3" } +>> { "H1" "H" "sp3" } +>> { "H2" "H" "sp3" } +>> { "H3" "H" "sp3" } +>> { "H4" "H" "sp3" } +>> { "H5" "H" "sp3" } +>> { "HW" "H" "sp3" } +>> { "HC" "H" "sp3" } +>> { "HA" "H" "sp3" } +>> { "HP" "H" "sp3" } +>> { "OH" "O" "sp3" } +>> { "OS" "O" "sp3" } +>> { "O" "O" "sp2" } +>> { "O2" "O" "sp2" } +>> { "OW" "O" "sp3" } +>> { "CT" "C" "sp3" } +>> { "CH" "C" "sp3" } +>> { "C2" "C" "sp3" } +>> { "C3" "C" "sp3" } +>> { "C" "C" "sp2" } +>> { "C*" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CB" "C" "sp2" } +>> { "CC" "C" "sp2" } +>> { "CN" "C" "sp2" } +>> { "CM" "C" "sp2" } +>> { "CK" "C" "sp2" } +>> { "CQ" "C" "sp2" } +>> { "CD" "C" "sp2" } +>> { "CE" "C" "sp2" } +>> { "CF" "C" "sp2" } +>> { "CG" "C" "sp2" } +>> { "CP" "C" "sp2" } +>> { "CI" "C" "sp2" } +>> { "CJ" "C" "sp2" } +>> { "CW" "C" "sp2" } +>> { "CV" "C" "sp2" } +>> { "CR" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CY" "C" "sp2" } +>> { "C0" "C" "sp2" } +>> { "MG" "Mg" "sp3" } +>> { "N" "N" "sp2" } +>> { "NA" "N" "sp2" } +>> { "N2" "N" "sp2" } +>> { "N*" "N" "sp2" } +>> { "NP" "N" "sp2" } +>> { "NQ" "N" "sp2" } +>> { "NB" "N" "sp2" } +>> { "NC" "N" "sp2" } +>> { "NT" "N" "sp3" } +>> { "N3" "N" "sp3" } +>> { "S" "S" "sp3" } +>> { "SH" "S" "sp3" } +>> { "P" "P" "sp3" } +>> { "LP" "" "sp3" } +>> { "F" "F" "sp3" } +>> { "CL" "Cl" "sp3" } +>> { "BR" "Br" "sp3" } +>> { "I" "I" "sp3" } +>> { "FE" "Fe" "sp3" } +>> # glycam +>> { "OG" "O" "sp3" } +>> { "OL" "O" "sp3" } +>> { "AC" "C" "sp3" } +>> { "EC" "C" "sp3" } +>> } +>> # +>> # Load the main parameter set. +>> # +>> parm96 = loadamberparams parm96.dat +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/parm96.dat +Reading title: +PARM96 for DNA, RNA and proteins with TIP3P Water. USE SCEE=1.2 in energy progs +(UNKNOWN ATOM TYPE: IM) +(UNKNOWN ATOM TYPE: Li) +(UNKNOWN ATOM TYPE: IP) +(UNKNOWN ATOM TYPE: K) +(UNKNOWN ATOM TYPE: Rb) +(UNKNOWN ATOM TYPE: Cs) +(UNKNOWN ATOM TYPE: IB) +>> # +>> # Load DNA/RNA libraries +>> # +>> loadOff all_nucleic94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_nucleic94.lib +Loading: DA +Loading: DA3 +Loading: DA5 +Loading: DAN +Loading: DC +Loading: DC3 +Loading: DC5 +Loading: DCN +Loading: DG +Loading: DG3 +Loading: DG5 +Loading: DGN +Loading: DT +Loading: DT3 +Loading: DT5 +Loading: DTN +Loading: RA +Loading: RA3 +Loading: RA5 +Loading: RAN +Loading: RC +Loading: RC3 +Loading: RC5 +Loading: RCN +Loading: RG +Loading: RG3 +Loading: RG5 +Loading: RGN +Loading: RU +Loading: RU3 +Loading: RU5 +Loading: RUN +>> # +>> # Load main chain and terminating +>> # amino acid libraries. +>> # +>> loadOff all_amino94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_amino94.lib +Loading: ALA +Loading: ARG +Loading: ASH +Loading: ASN +Loading: ASP +Loading: CYM +Loading: CYS +Loading: CYX +Loading: GLH +Loading: GLN +Loading: GLU +Loading: GLY +Loading: HID +Loading: HIE +Loading: HIP +Loading: ILE +Loading: LEU +Loading: LYN +Loading: LYS +Loading: MET +Loading: PHE +Loading: PRO +Loading: SER +Loading: THR +Loading: TRP +Loading: TYR +Loading: VAL +>> loadOff all_aminoct94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminoct94.lib +Loading: CALA +Loading: CARG +Loading: CASN +Loading: CASP +Loading: CCYS +Loading: CCYX +Loading: CGLN +Loading: CGLU +Loading: CGLY +Loading: CHID +Loading: CHIE +Loading: CHIP +Loading: CILE +Loading: CLEU +Loading: CLYS +Loading: CMET +Loading: CPHE +Loading: CPRO +Loading: CSER +Loading: CTHR +Loading: CTRP +Loading: CTYR +Loading: CVAL +Loading: NHE +Loading: NME +>> loadOff all_aminont94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminont94.lib +Loading: ACE +Loading: NALA +Loading: NARG +Loading: NASN +Loading: NASP +Loading: NCYS +Loading: NCYX +Loading: NGLN +Loading: NGLU +Loading: NGLY +Loading: NHID +Loading: NHIE +Loading: NHIP +Loading: NILE +Loading: NLEU +Loading: NLYS +Loading: NMET +Loading: NPHE +Loading: NPRO +Loading: NSER +Loading: NTHR +Loading: NTRP +Loading: NTYR +Loading: NVAL +>> +>> loadOff ions94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/ions94.lib +Loading: CIO +Loading: Cl- +Loading: Cs+ +Loading: IB +Loading: K+ +Loading: Li+ +Loading: MG2 +Loading: Na+ +Loading: Rb+ +>> loadOff solvents.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/solvents.lib +Loading: CHCL3BOX +Loading: DC4 +Loading: MEOHBOX +Loading: NMABOX +Loading: PL3 +Loading: POL3BOX +Loading: QSPCFWBOX +Loading: SPC +Loading: SPCBOX +Loading: SPCFWBOX +Loading: SPF +Loading: SPG +Loading: T4E +Loading: TIP3PBOX +Loading: TIP3PFBOX +Loading: TIP4PBOX +Loading: TIP4PEWBOX +Loading: TP3 +Loading: TP4 +Loading: TP5 +Loading: TPF +>> HOH = TP3 +>> WAT = TP3 +>> +>> +>> # +>> # Define the PDB name map for the amino acids and DNA. +>> # +>> addPdbResMap { +>> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } +>> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } +>> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } +>> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } +>> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } +>> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } +>> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } +>> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } +>> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } +>> { 0 "HID" "NHID" } { 1 "HID" "CHID" } +>> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } +>> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } +>> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } +>> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } +>> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } +>> { 0 "MET" "NMET" } { 1 "MET" "CMET" } +>> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } +>> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } +>> { 0 "SER" "NSER" } { 1 "SER" "CSER" } +>> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } +>> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } +>> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } +>> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } +>> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } +>> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } +>> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } +>> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } +>> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } +>> { 0 "G" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } +>> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } +>> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } +>> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } +>> { 0 "C5" "DC5" } +>> { 0 "G5" "DG5" } +>> { 0 "A5" "DA5" } +>> { 0 "T5" "DT5" } +>> { 1 "C3" "DC3" } +>> { 1 "G3" "DG3" } +>> { 1 "A3" "DA3" } +>> { 1 "T3" "DT3" } +>> +>> } +>> +>> addPdbAtomMap { +>> { "O5*" "O5'" } +>> { "C5*" "C5'" } +>> { "C4*" "C4'" } +>> { "O4*" "O4'" } +>> { "C3*" "C3'" } +>> { "O3*" "O3'" } +>> { "C2*" "C2'" } +>> { "C1*" "C1'" } +>> { "C5M" "C7" } +>> { "H1*" "H1'" } +>> { "H2*1" "H2'1" } +>> { "H2*2" "H2'2" } +>> { "H3*" "H3'" } +>> { "H4*" "H4'" } +>> { "H5*1" "H5'1" } +>> { "H5*2" "H5'2" } +>> # old ff atom names -> new +>> { "O1'" "O4'" } +>> { "OA" "O1P" } +>> { "OB" "O2P" } +>> } +>> +>> +>> # +>> # assumed that most often proteins use HIE +>> # +>> NHIS = NHIE +>> HIS = HIE +>> CHIS = CHIE +> +> +> # Create sequence. +> peptide = sequence { ACE ALA NME } +Sequence: ACE +Sequence: ALA +Joining ACE - ALA +Sequence: NME +Joining ALA - NME +> +> # Check peptide. +> check peptide +Checking 'peptide'.... +Checking parameters for unit 'peptide'. +Checking for bond parameters. +Checking for angle parameters. +Unit is OK. +> +> # Report on net charge. +> charge peptide +Total unperturbed charge: 0.000000 +Total perturbed charge: 0.000000 +> +> # Solvate in water box. +> solvateBox peptide TIP3PBOX 9.0 iso + Solute vdw bounding box: 7.063 11.676 5.818 + Total bounding box for atom centers: 29.676 29.676 29.676 + (box expansion for 'iso' is 47.5%) + Solvent unit box: 18.774 18.774 18.774 +The number of boxes: x= 2 y= 2 z= 2 +Adding box at: x=0 y=0 z=0 +Center of solvent box is: 9.387175, 9.387175, 9.387175 +Adding box at: x=0 y=0 z=1 +Center of solvent box is: 9.387175, 9.387175, -9.387175 +Adding box at: x=0 y=1 z=0 +Center of solvent box is: 9.387175, -9.387175, 9.387175 +Adding box at: x=0 y=1 z=1 +Center of solvent box is: 9.387175, -9.387175, -9.387175 +Adding box at: x=1 y=0 z=0 +Center of solvent box is: -9.387175, 9.387175, 9.387175 +Adding box at: x=1 y=0 z=1 +Center of solvent box is: -9.387175, 9.387175, -9.387175 +Adding box at: x=1 y=1 z=0 +Center of solvent box is: -9.387175, -9.387175, 9.387175 +Adding box at: x=1 y=1 z=1 +Center of solvent box is: -9.387175, -9.387175, -9.387175 + Volume: 34390.739 A^3 + Total mass 13638.160 amu, Density 0.659 g/cc + Added 749 residues. +> +> # Write parameters. +> saveAmberParm peptide alanine-dipeptide.prmtop alanine-dipeptide.crd +Checking Unit. +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 4 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (Residues lacking connect0/connect1 - + these don't have chain types marked: + + res total affected + + WAT 749 + ) + (no restraints) +> +> # Exit +> quit + Quit diff --git a/src/data/alanine-dipeptide-explicit/run.sh b/src/data/alanine-dipeptide-explicit/run.sh new file mode 100755 index 000000000..f9fd30b97 --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/run.sh @@ -0,0 +1,14 @@ +#!/bin/tcsh + +# Name of system +setenv SYSTEM alanine-dipeptide + +# Clean up old files, if present. +rm -f leap.log ${SYSTEM}.{crd,prmtop,pdb} + +# Create prmtop/crd files. +tleap -f setup.leap.in + +# Create PDB file. +cat ${SYSTEM}.crd | ambpdb -p ${SYSTEM}.prmtop > ${SYSTEM}.pdb + diff --git a/src/data/alanine-dipeptide-explicit/setup.leap.in b/src/data/alanine-dipeptide-explicit/setup.leap.in new file mode 100644 index 000000000..78ffb7988 --- /dev/null +++ b/src/data/alanine-dipeptide-explicit/setup.leap.in @@ -0,0 +1,23 @@ +# Create terminally-blocked alanine peptide model with AMBER ff96 and OBC GBSA. + +# Load AMBER '96 forcefield for protein. +source leaprc.ff96 + +# Create sequence. +peptide = sequence { ACE ALA NME } + +# Check peptide. +check peptide + +# Report on net charge. +charge peptide + +# Solvate in water box. +solvateBox peptide TIP3PBOX 9.0 iso + +# Write parameters. +saveAmberParm peptide alanine-dipeptide.prmtop alanine-dipeptide.crd + +# Exit +quit + diff --git a/src/data/alanine-dipeptide-gbsa/README b/src/data/alanine-dipeptide-gbsa/README new file mode 100644 index 000000000..ab0594f61 --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/README @@ -0,0 +1 @@ +Alanine dipeptide in OBC GB/SA and AMBER ff96 diff --git a/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.crd b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.crd new file mode 100644 index 000000000..34893ad6a --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.crd @@ -0,0 +1,13 @@ +ACE + 22 + 2.0000010 1.0000000 -0.0000013 2.0000010 2.0900000 0.0000001 + 1.4862640 2.4538490 0.8898240 1.4862590 2.4538520 -0.8898200 + 3.4274200 2.6407950 -0.0000030 4.3905800 1.8774060 -0.0000066 + 3.5553754 3.9696488 -0.0000031 2.7331200 4.5561601 -0.0000013 + 4.8532621 4.6139253 -0.0000043 5.4075960 4.3155388 0.8898152 + 5.6613044 4.2208425 -1.2321480 5.1232615 4.5213630 -2.1312016 + 6.6304840 4.7189354 -1.2057907 5.8085401 3.1408724 -1.2413850 + 4.7126759 6.1294185 0.0000014 3.6006445 6.6527027 0.0000062 + 5.8460533 6.8348833 0.0000025 6.7370014 6.3591620 -0.0000004 + 5.8460551 8.2838837 0.0000062 4.8185761 8.6477349 0.0000104 + 6.3597984 8.6477313 0.8898283 6.3597900 8.6477354 -0.8898187 diff --git a/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.pdb b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.pdb new file mode 100644 index 000000000..32ba37bd5 --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.pdb @@ -0,0 +1,25 @@ +REMARK ACE +ATOM 1 1HH3 ACE 1 2.000 1.000 -0.000 +ATOM 2 CH3 ACE 1 2.000 2.090 0.000 +ATOM 3 2HH3 ACE 1 1.486 2.454 0.890 +ATOM 4 3HH3 ACE 1 1.486 2.454 -0.890 +ATOM 5 C ACE 1 3.427 2.641 -0.000 +ATOM 6 O ACE 1 4.391 1.877 -0.000 +ATOM 7 N ALA 2 3.555 3.970 -0.000 +ATOM 8 H ALA 2 2.733 4.556 -0.000 +ATOM 9 CA ALA 2 4.853 4.614 -0.000 +ATOM 10 HA ALA 2 5.408 4.316 0.890 +ATOM 11 CB ALA 2 5.661 4.221 -1.232 +ATOM 12 1HB ALA 2 5.123 4.521 -2.131 +ATOM 13 2HB ALA 2 6.630 4.719 -1.206 +ATOM 14 3HB ALA 2 5.809 3.141 -1.241 +ATOM 15 C ALA 2 4.713 6.129 0.000 +ATOM 16 O ALA 2 3.601 6.653 0.000 +ATOM 17 N NME 3 5.846 6.835 0.000 +ATOM 18 H NME 3 6.737 6.359 -0.000 +ATOM 19 CH3 NME 3 5.846 8.284 0.000 +ATOM 20 1HH3 NME 3 4.819 8.648 0.000 +ATOM 21 2HH3 NME 3 6.360 8.648 0.890 +ATOM 22 3HH3 NME 3 6.360 8.648 -0.890 +TER +END diff --git a/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop new file mode 100644 index 000000000..b0d5131aa --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop @@ -0,0 +1,223 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 12/02/09 14:15:18 +%FLAG TITLE +%FORMAT(20a4) +ACE +%FLAG POINTERS +%FORMAT(10I8) + 22 7 12 9 25 11 35 17 0 0 + 99 3 9 11 17 8 16 13 7 0 + 0 0 0 0 0 0 0 0 10 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +HH31CH3 HH32HH33C O N H CA HA CB HB1 HB2 HB3 C O N H CH3 HH31 +HH32HH33 +%FLAG CHARGE +%FORMAT(5E16.8) + 2.04636429E+00 -6.67300626E+00 2.04636429E+00 2.04636429E+00 1.08823576E+01 + -1.03484442E+01 -7.57501011E+00 4.95464337E+00 6.14091510E-01 1.49969529E+00 + -3.32556975E+00 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 + -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -2.71512270E+00 1.77849648E+00 + 1.77849648E+00 1.77849648E+00 +%FLAG MASS +%FORMAT(5E16.8) + 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 + 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 + 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 + 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 + 1.00800000E+00 1.00800000E+00 +%FLAG ATOM_TYPE_INDEX +%FORMAT(10I8) + 1 2 1 1 3 4 5 6 2 7 + 2 1 1 1 3 4 5 6 2 7 + 7 7 +%FLAG NUMBER_EXCLUDED_ATOMS +%FORMAT(10I8) + 6 7 4 3 7 3 10 4 10 7 + 6 3 2 1 7 3 5 4 3 2 + 1 1 +%FLAG NONBONDED_PARM_INDEX +%FORMAT(10I8) + 1 2 4 7 11 16 22 2 3 5 + 8 12 17 23 4 5 6 9 13 18 + 24 7 8 9 10 14 19 25 11 12 + 13 14 15 20 26 16 17 18 19 20 + 21 27 22 23 24 25 26 27 28 +%FLAG RESIDUE_LABEL +%FORMAT(20a4) +ACE ALA NME +%FLAG RESIDUE_POINTER +%FORMAT(10I8) + 1 7 17 +%FLAG BOND_FORCE_CONSTANT +%FORMAT(5E16.8) + 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 + 3.10000000E+02 4.34000000E+02 3.37000000E+02 +%FLAG BOND_EQUIL_VALUE +%FORMAT(5E16.8) + 1.22900000E+00 1.33500000E+00 1.09000000E+00 1.52200000E+00 1.09000000E+00 + 1.52600000E+00 1.01000000E+00 1.44900000E+00 +%FLAG ANGLE_FORCE_CONSTANT +%FORMAT(5E16.8) + 8.00000000E+01 3.00000000E+01 5.00000000E+01 5.00000000E+01 3.50000000E+01 + 8.00000000E+01 7.00000000E+01 6.30000000E+01 5.00000000E+01 5.00000000E+01 + 5.00000000E+01 3.00000000E+01 5.00000000E+01 8.00000000E+01 6.30000000E+01 + 3.50000000E+01 +%FLAG ANGLE_EQUIL_VALUE +%FORMAT(5E16.8) + 2.14501057E+00 2.09439600E+00 2.12755727E+00 1.91113635E+00 1.91113635E+00 + 2.10137732E+00 2.03505478E+00 1.93906163E+00 1.91113635E+00 1.91113635E+00 + 1.91113635E+00 2.06018753E+00 1.91113635E+00 1.91462701E+00 1.92160833E+00 + 1.91113635E+00 +%FLAG DIHEDRAL_FORCE_CONSTANT +%FORMAT(5E16.8) + 2.00000000E+00 2.50000000E+00 0.00000000E+00 5.30000000E-01 1.50000000E-01 + 5.00000000E-01 8.50000000E-01 3.00000000E-01 1.55555556E-01 7.00000000E-02 + 1.00000000E-01 1.05000000E+01 1.00000000E+00 +%FLAG DIHEDRAL_PERIODICITY +%FORMAT(5E16.8) + 1.00000000E+00 2.00000000E+00 2.00000000E+00 1.00000000E+00 3.00000000E+00 + 4.00000000E+00 1.00000000E+00 2.00000000E+00 3.00000000E+00 2.00000000E+00 + 4.00000000E+00 2.00000000E+00 2.00000000E+00 +%FLAG DIHEDRAL_PHASE +%FORMAT(5E16.8) + 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 3.14159400E+00 + 3.14159400E+00 0.00000000E+00 3.14159400E+00 0.00000000E+00 0.00000000E+00 + 0.00000000E+00 3.14159400E+00 3.14159400E+00 +%FLAG SOLTY +%FORMAT(5E16.8) + 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 + 0.00000000E+00 0.00000000E+00 +%FLAG LENNARD_JONES_ACOEF +%FORMAT(5E16.8) + 7.51607703E+03 9.71708117E+04 1.04308023E+06 8.61541883E+04 9.24822270E+05 + 8.19971662E+05 5.44261042E+04 6.47841731E+05 5.74393458E+05 3.79876399E+05 + 8.96776989E+04 9.95480466E+05 8.82619071E+05 6.06829342E+05 9.44293233E+05 + 1.07193646E+02 2.56678134E+03 2.27577561E+03 1.02595236E+03 2.12601181E+03 + 1.39982777E-01 4.98586848E+03 6.78771368E+04 6.01816484E+04 3.69471530E+04 + 6.20665997E+04 5.94667300E+01 3.25969625E+03 +%FLAG LENNARD_JONES_BCOEF +%FORMAT(5E16.8) + 2.17257828E+01 1.26919150E+02 6.75612247E+02 1.12529845E+02 5.99015525E+02 + 5.31102864E+02 1.11805549E+02 6.26720080E+02 5.55666448E+02 5.64885984E+02 + 1.36131731E+02 7.36907417E+02 6.53361429E+02 6.77220874E+02 8.01323529E+02 + 2.59456373E+00 2.06278363E+01 1.82891803E+01 1.53505284E+01 2.09604198E+01 + 9.37598976E-02 1.76949863E+01 1.06076943E+02 9.40505980E+01 9.21192136E+01 + 1.13252061E+02 1.93248820E+00 1.43076527E+01 +%FLAG BONDS_INC_HYDROGEN +%FORMAT(10I8) + 3 6 3 3 9 3 0 3 3 30 + 33 3 30 36 3 30 39 3 24 27 + 5 18 21 7 54 57 5 54 60 5 + 54 63 5 48 51 7 +%FLAG BONDS_WITHOUT_HYDROGEN +%FORMAT(10I8) + 12 15 1 12 18 2 3 12 4 42 + 45 1 42 48 2 24 30 6 24 42 + 4 18 24 8 48 54 8 +%FLAG ANGLES_INC_HYDROGEN +%FORMAT(10I8) + 12 18 21 2 9 3 12 4 6 3 + 9 5 6 3 12 4 0 3 6 5 + 0 3 9 5 0 3 12 4 42 48 + 51 2 36 30 39 5 33 30 36 5 + 33 30 39 5 27 24 30 9 27 24 + 42 10 24 30 33 11 24 30 36 11 + 24 30 39 11 21 18 24 12 18 24 + 27 13 60 54 63 16 57 54 60 16 + 57 54 63 16 51 48 54 12 48 54 + 57 13 48 54 60 13 48 54 63 13 +%FLAG ANGLES_WITHOUT_HYDROGEN +%FORMAT(10I8) + 15 12 18 1 12 18 24 3 3 12 + 15 6 3 12 18 7 45 42 48 1 + 42 48 54 3 30 24 42 8 24 42 + 45 6 24 42 48 7 18 24 30 14 + 18 24 42 15 +%FLAG DIHEDRALS_INC_HYDROGEN +%FORMAT(10I8) + 15 12 18 21 1 15 12 -18 21 2 + 12 18 24 27 3 9 3 12 15 3 + 9 3 12 18 3 6 3 12 15 3 + 6 3 12 18 3 3 12 18 21 2 + 0 3 12 15 3 0 3 12 18 3 + 45 42 48 51 1 45 42 -48 51 2 + 42 48 54 57 3 42 48 54 60 3 + 42 48 54 63 3 39 30 24 42 9 + 36 30 24 42 9 33 30 24 42 9 + 27 24 30 33 9 27 24 30 36 9 + 27 24 30 39 9 27 24 42 45 3 + 27 24 42 48 3 24 42 48 51 2 + 21 18 24 27 3 21 18 24 30 3 + 21 18 24 42 3 18 24 30 33 9 + 18 24 30 36 9 18 24 30 39 9 + 51 48 54 57 3 51 48 54 60 3 + 51 48 54 63 3 12 24 -18 -21 13 + 42 54 -48 -51 13 +%FLAG DIHEDRALS_WITHOUT_HYDROGEN +%FORMAT(10I8) + 15 12 18 24 2 12 18 24 30 4 + 12 18 -24 30 5 12 18 -24 30 6 + 12 18 24 42 7 12 18 -24 42 8 + 3 12 18 24 2 45 42 48 54 2 + 30 24 42 45 3 30 24 42 48 10 + 30 24 -42 48 11 24 42 48 54 2 + 18 24 42 45 3 18 24 42 48 7 + 18 24 -42 48 8 3 18 -12 -15 12 + 24 48 -42 -45 12 +%FLAG EXCLUDED_ATOMS_LIST +%FORMAT(10I8) + 2 3 4 5 6 7 3 4 5 6 + 7 8 9 4 5 6 7 5 6 7 + 6 7 8 9 10 11 15 7 8 9 + 8 9 10 11 12 13 14 15 16 17 + 9 10 11 15 10 11 12 13 14 15 + 16 17 18 19 11 12 13 14 15 16 + 17 12 13 14 15 16 17 13 14 15 + 14 15 15 16 17 18 19 20 21 22 + 17 18 19 18 19 20 21 22 19 20 + 21 22 20 21 22 21 22 22 0 +%FLAG HBOND_ACOEF +%FORMAT(5E16.8) + +%FLAG HBOND_BCOEF +%FORMAT(5E16.8) + +%FLAG HBCUT +%FORMAT(5E16.8) + +%FLAG AMBER_ATOM_TYPE +%FORMAT(20a4) +HC CT HC HC C O N H CT H1 CT HC HC HC C O N H CT H1 +H1 H1 +%FLAG TREE_CHAIN_CLASSIFICATION +%FORMAT(20a4) +M M E E M E M E M E 3 E E E M E M E M E +E E +%FLAG JOIN_ARRAY +%FORMAT(10I8) + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 +%FLAG IROTAT +%FORMAT(10I8) + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 +%FLAG RADIUS_SET +%FORMAT(1a80) +H(N)-modified Bondi radii (mbondi2) +%FLAG RADII +%FORMAT(5E16.8) + 1.20000000E+00 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 + 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 + 1.70000000E+00 1.20000000E+00 1.20000000E+00 1.20000000E+00 1.70000000E+00 + 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.20000000E+00 + 1.20000000E+00 1.20000000E+00 +%FLAG SCREEN +%FORMAT(5E16.8) + 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 + 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 + 8.50000000E-01 8.50000000E-01 diff --git a/src/data/alanine-dipeptide-gbsa/leap.log b/src/data/alanine-dipeptide-gbsa/leap.log new file mode 100644 index 000000000..c27c858f8 --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/leap.log @@ -0,0 +1,378 @@ +log started: Wed Dec 2 14:15:18 2009 + +Log file: ./leap.log +>> # +>> # ----- leaprc for loading the Cornell et al. topology and +>> # parm96.dat for proteins +>> # assumes that any unspecified nucleic acids are DNA +>> # +>> # load atom type hybridizations +>> # +>> addAtomTypes { +>> { "H" "H" "sp3" } +>> { "HO" "H" "sp3" } +>> { "HS" "H" "sp3" } +>> { "H1" "H" "sp3" } +>> { "H2" "H" "sp3" } +>> { "H3" "H" "sp3" } +>> { "H4" "H" "sp3" } +>> { "H5" "H" "sp3" } +>> { "HW" "H" "sp3" } +>> { "HC" "H" "sp3" } +>> { "HA" "H" "sp3" } +>> { "HP" "H" "sp3" } +>> { "OH" "O" "sp3" } +>> { "OS" "O" "sp3" } +>> { "O" "O" "sp2" } +>> { "O2" "O" "sp2" } +>> { "OW" "O" "sp3" } +>> { "CT" "C" "sp3" } +>> { "CH" "C" "sp3" } +>> { "C2" "C" "sp3" } +>> { "C3" "C" "sp3" } +>> { "C" "C" "sp2" } +>> { "C*" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CB" "C" "sp2" } +>> { "CC" "C" "sp2" } +>> { "CN" "C" "sp2" } +>> { "CM" "C" "sp2" } +>> { "CK" "C" "sp2" } +>> { "CQ" "C" "sp2" } +>> { "CD" "C" "sp2" } +>> { "CE" "C" "sp2" } +>> { "CF" "C" "sp2" } +>> { "CG" "C" "sp2" } +>> { "CP" "C" "sp2" } +>> { "CI" "C" "sp2" } +>> { "CJ" "C" "sp2" } +>> { "CW" "C" "sp2" } +>> { "CV" "C" "sp2" } +>> { "CR" "C" "sp2" } +>> { "CA" "C" "sp2" } +>> { "CY" "C" "sp2" } +>> { "C0" "C" "sp2" } +>> { "MG" "Mg" "sp3" } +>> { "N" "N" "sp2" } +>> { "NA" "N" "sp2" } +>> { "N2" "N" "sp2" } +>> { "N*" "N" "sp2" } +>> { "NP" "N" "sp2" } +>> { "NQ" "N" "sp2" } +>> { "NB" "N" "sp2" } +>> { "NC" "N" "sp2" } +>> { "NT" "N" "sp3" } +>> { "N3" "N" "sp3" } +>> { "S" "S" "sp3" } +>> { "SH" "S" "sp3" } +>> { "P" "P" "sp3" } +>> { "LP" "" "sp3" } +>> { "F" "F" "sp3" } +>> { "CL" "Cl" "sp3" } +>> { "BR" "Br" "sp3" } +>> { "I" "I" "sp3" } +>> { "FE" "Fe" "sp3" } +>> # glycam +>> { "OG" "O" "sp3" } +>> { "OL" "O" "sp3" } +>> { "AC" "C" "sp3" } +>> { "EC" "C" "sp3" } +>> } +>> # +>> # Load the main parameter set. +>> # +>> parm96 = loadamberparams parm96.dat +Loading parameters: /Users/jchodera/local/src/amber10/dat/leap/parm/parm96.dat +Reading title: +PARM96 for DNA, RNA and proteins with TIP3P Water. USE SCEE=1.2 in energy progs +(UNKNOWN ATOM TYPE: IM) +(UNKNOWN ATOM TYPE: Li) +(UNKNOWN ATOM TYPE: IP) +(UNKNOWN ATOM TYPE: K) +(UNKNOWN ATOM TYPE: Rb) +(UNKNOWN ATOM TYPE: Cs) +(UNKNOWN ATOM TYPE: IB) +>> # +>> # Load DNA/RNA libraries +>> # +>> loadOff all_nucleic94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_nucleic94.lib +Loading: DA +Loading: DA3 +Loading: DA5 +Loading: DAN +Loading: DC +Loading: DC3 +Loading: DC5 +Loading: DCN +Loading: DG +Loading: DG3 +Loading: DG5 +Loading: DGN +Loading: DT +Loading: DT3 +Loading: DT5 +Loading: DTN +Loading: RA +Loading: RA3 +Loading: RA5 +Loading: RAN +Loading: RC +Loading: RC3 +Loading: RC5 +Loading: RCN +Loading: RG +Loading: RG3 +Loading: RG5 +Loading: RGN +Loading: RU +Loading: RU3 +Loading: RU5 +Loading: RUN +>> # +>> # Load main chain and terminating +>> # amino acid libraries. +>> # +>> loadOff all_amino94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_amino94.lib +Loading: ALA +Loading: ARG +Loading: ASH +Loading: ASN +Loading: ASP +Loading: CYM +Loading: CYS +Loading: CYX +Loading: GLH +Loading: GLN +Loading: GLU +Loading: GLY +Loading: HID +Loading: HIE +Loading: HIP +Loading: ILE +Loading: LEU +Loading: LYN +Loading: LYS +Loading: MET +Loading: PHE +Loading: PRO +Loading: SER +Loading: THR +Loading: TRP +Loading: TYR +Loading: VAL +>> loadOff all_aminoct94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminoct94.lib +Loading: CALA +Loading: CARG +Loading: CASN +Loading: CASP +Loading: CCYS +Loading: CCYX +Loading: CGLN +Loading: CGLU +Loading: CGLY +Loading: CHID +Loading: CHIE +Loading: CHIP +Loading: CILE +Loading: CLEU +Loading: CLYS +Loading: CMET +Loading: CPHE +Loading: CPRO +Loading: CSER +Loading: CTHR +Loading: CTRP +Loading: CTYR +Loading: CVAL +Loading: NHE +Loading: NME +>> loadOff all_aminont94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/all_aminont94.lib +Loading: ACE +Loading: NALA +Loading: NARG +Loading: NASN +Loading: NASP +Loading: NCYS +Loading: NCYX +Loading: NGLN +Loading: NGLU +Loading: NGLY +Loading: NHID +Loading: NHIE +Loading: NHIP +Loading: NILE +Loading: NLEU +Loading: NLYS +Loading: NMET +Loading: NPHE +Loading: NPRO +Loading: NSER +Loading: NTHR +Loading: NTRP +Loading: NTYR +Loading: NVAL +>> +>> loadOff ions94.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/ions94.lib +Loading: CIO +Loading: Cl- +Loading: Cs+ +Loading: IB +Loading: K+ +Loading: Li+ +Loading: MG2 +Loading: Na+ +Loading: Rb+ +>> loadOff solvents.lib +Loading library: /Users/jchodera/local/src/amber10/dat/leap/lib/solvents.lib +Loading: CHCL3BOX +Loading: DC4 +Loading: MEOHBOX +Loading: NMABOX +Loading: PL3 +Loading: POL3BOX +Loading: QSPCFWBOX +Loading: SPC +Loading: SPCBOX +Loading: SPCFWBOX +Loading: SPF +Loading: SPG +Loading: T4E +Loading: TIP3PBOX +Loading: TIP3PFBOX +Loading: TIP4PBOX +Loading: TIP4PEWBOX +Loading: TP3 +Loading: TP4 +Loading: TP5 +Loading: TPF +>> HOH = TP3 +>> WAT = TP3 +>> +>> +>> # +>> # Define the PDB name map for the amino acids and DNA. +>> # +>> addPdbResMap { +>> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } +>> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } +>> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } +>> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } +>> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } +>> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } +>> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } +>> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } +>> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } +>> { 0 "HID" "NHID" } { 1 "HID" "CHID" } +>> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } +>> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } +>> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } +>> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } +>> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } +>> { 0 "MET" "NMET" } { 1 "MET" "CMET" } +>> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } +>> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } +>> { 0 "SER" "NSER" } { 1 "SER" "CSER" } +>> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } +>> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } +>> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } +>> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } +>> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } +>> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } +>> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } +>> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } +>> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } +>> { 0 "G" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } +>> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } +>> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } +>> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } +>> { 0 "C5" "DC5" } +>> { 0 "G5" "DG5" } +>> { 0 "A5" "DA5" } +>> { 0 "T5" "DT5" } +>> { 1 "C3" "DC3" } +>> { 1 "G3" "DG3" } +>> { 1 "A3" "DA3" } +>> { 1 "T3" "DT3" } +>> +>> } +>> +>> addPdbAtomMap { +>> { "O5*" "O5'" } +>> { "C5*" "C5'" } +>> { "C4*" "C4'" } +>> { "O4*" "O4'" } +>> { "C3*" "C3'" } +>> { "O3*" "O3'" } +>> { "C2*" "C2'" } +>> { "C1*" "C1'" } +>> { "C5M" "C7" } +>> { "H1*" "H1'" } +>> { "H2*1" "H2'1" } +>> { "H2*2" "H2'2" } +>> { "H3*" "H3'" } +>> { "H4*" "H4'" } +>> { "H5*1" "H5'1" } +>> { "H5*2" "H5'2" } +>> # old ff atom names -> new +>> { "O1'" "O4'" } +>> { "OA" "O1P" } +>> { "OB" "O2P" } +>> } +>> +>> +>> # +>> # assumed that most often proteins use HIE +>> # +>> NHIS = NHIE +>> HIS = HIE +>> CHIS = CHIE +> +> +> # Set GB radii to recommended values for OBC GBSA. +> set default PBRadii mbondi2 +Using H(N)-modified Bondi radii +> +> # Create sequence. +> peptide = sequence { ACE ALA NME } +Sequence: ACE +Sequence: ALA +Joining ACE - ALA +Sequence: NME +Joining ALA - NME +> +> # Check peptide. +> check peptide +Checking 'peptide'.... +Checking parameters for unit 'peptide'. +Checking for bond parameters. +Checking for angle parameters. +Unit is OK. +> +> # Report on net charge. +> charge peptide +Total unperturbed charge: 0.000000 +Total perturbed charge: 0.000000 +> +> # Write parameters. +> saveAmberParm peptide alanine-dipeptide.prmtop alanine-dipeptide.crd +Checking Unit. +Building topology. +Building atom parameters. +Building bond parameters. +Building angle parameters. +Building proper torsion parameters. +Building improper torsion parameters. + total 4 improper torsions applied +Building H-Bond parameters. +Not Marking per-residue atom chain types. +Marking per-residue atom chain types. + (no restraints) +> +> # Exit +> quit + Quit diff --git a/src/data/alanine-dipeptide-gbsa/run.sh b/src/data/alanine-dipeptide-gbsa/run.sh new file mode 100755 index 000000000..f9fd30b97 --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/run.sh @@ -0,0 +1,14 @@ +#!/bin/tcsh + +# Name of system +setenv SYSTEM alanine-dipeptide + +# Clean up old files, if present. +rm -f leap.log ${SYSTEM}.{crd,prmtop,pdb} + +# Create prmtop/crd files. +tleap -f setup.leap.in + +# Create PDB file. +cat ${SYSTEM}.crd | ambpdb -p ${SYSTEM}.prmtop > ${SYSTEM}.pdb + diff --git a/src/data/alanine-dipeptide-gbsa/setup.leap.in b/src/data/alanine-dipeptide-gbsa/setup.leap.in new file mode 100644 index 000000000..557934231 --- /dev/null +++ b/src/data/alanine-dipeptide-gbsa/setup.leap.in @@ -0,0 +1,23 @@ +# Create terminally-blocked alanine peptide model with AMBER ff96 and OBC GBSA. + +# Load AMBER '96 forcefield for protein. +source leaprc.ff96 + +# Set GB radii to recommended values for OBC GBSA. +set default PBRadii mbondi2 + +# Create sequence. +peptide = sequence { ACE ALA NME } + +# Check peptide. +check peptide + +# Report on net charge. +charge peptide + +# Write parameters. +saveAmberParm peptide alanine-dipeptide.prmtop alanine-dipeptide.crd + +# Exit +quit + diff --git a/src/data/amoeba/1AP4_14_wat.pdb b/src/data/amoeba/1AP4_14_wat.pdb new file mode 100644 index 000000000..1e5bb4a86 --- /dev/null +++ b/src/data/amoeba/1AP4_14_wat.pdb @@ -0,0 +1,31980 @@ +CRYST1 67.538 69.977 67.897 90.00 90.00 90.00 P 1 1 +REMARK +ATOM 1 N MET 1 40.280 36.085 48.627 1.00 0.00 N +ATOM 2 H1 MET 1 40.603 35.098 48.643 1.00 0.00 H +ATOM 3 H2 MET 1 40.243 36.451 49.599 1.00 0.00 H +ATOM 4 H3 MET 1 39.332 36.135 48.201 1.00 0.00 H +ATOM 5 CA MET 1 41.229 36.907 47.821 1.00 0.00 C +ATOM 6 HA MET 1 40.725 37.760 47.397 1.00 0.00 H +ATOM 7 CB MET 1 42.295 37.369 48.815 1.00 0.00 C +ATOM 8 HB2 MET 1 43.120 37.813 48.277 1.00 0.00 H +ATOM 9 HB3 MET 1 41.868 38.098 49.487 1.00 0.00 H +ATOM 10 CG MET 1 42.796 36.167 49.620 1.00 0.00 C +ATOM 11 HG2 MET 1 41.968 35.720 50.153 1.00 0.00 H +ATOM 12 HG3 MET 1 43.226 35.439 48.949 1.00 0.00 H +ATOM 13 SD MET 1 44.052 36.712 50.804 1.00 0.00 S +ATOM 14 CE MET 1 42.954 37.678 51.871 1.00 0.00 C +ATOM 15 HE1 MET 1 42.474 38.449 51.292 1.00 0.00 H +ATOM 16 HE2 MET 1 42.202 37.028 52.296 1.00 0.00 H +ATOM 17 HE3 MET 1 43.534 38.133 52.663 1.00 0.00 H +ATOM 18 C MET 1 41.860 36.053 46.717 1.00 0.00 C +ATOM 19 O MET 1 42.966 36.303 46.281 1.00 0.00 O +ATOM 20 N ASP 2 41.167 35.043 46.266 1.00 0.00 N +ATOM 21 H ASP 2 40.278 34.857 46.633 1.00 0.00 H +ATOM 22 CA ASP 2 41.729 34.173 45.192 1.00 0.00 C +ATOM 23 HA ASP 2 42.596 33.643 45.554 1.00 0.00 H +ATOM 24 CB ASP 2 40.613 33.182 44.860 1.00 0.00 C +ATOM 25 HB2 ASP 2 39.655 33.674 44.954 1.00 0.00 H +ATOM 26 HB3 ASP 2 40.737 32.826 43.847 1.00 0.00 H +ATOM 27 CG ASP 2 40.677 31.997 45.825 1.00 0.00 C +ATOM 28 OD1 ASP 2 41.641 31.917 46.570 1.00 0.00 O +ATOM 29 OD2 ASP 2 39.762 31.191 45.805 1.00 0.00 O +ATOM 30 C ASP 2 42.088 35.009 43.963 1.00 0.00 C +ATOM 31 O ASP 2 41.337 35.867 43.540 1.00 0.00 O +ATOM 32 N ASP 3 43.231 34.766 43.384 1.00 0.00 N +ATOM 33 H ASP 3 43.823 34.069 43.739 1.00 0.00 H +ATOM 34 CA ASP 3 43.638 35.546 42.181 1.00 0.00 C +ATOM 35 HA ASP 3 42.833 36.186 41.858 1.00 0.00 H +ATOM 36 CB ASP 3 44.827 36.392 42.639 1.00 0.00 C +ATOM 37 HB2 ASP 3 45.606 35.744 43.013 1.00 0.00 H +ATOM 38 HB3 ASP 3 45.202 36.965 41.806 1.00 0.00 H +ATOM 39 CG ASP 3 44.377 37.344 43.749 1.00 0.00 C +ATOM 40 OD1 ASP 3 43.662 38.284 43.443 1.00 0.00 O +ATOM 41 OD2 ASP 3 44.756 37.117 44.886 1.00 0.00 O +ATOM 42 C ASP 3 44.053 34.598 41.054 1.00 0.00 C +ATOM 43 O ASP 3 44.634 35.006 40.068 1.00 0.00 O +ATOM 44 N ILE 4 43.754 33.334 41.188 1.00 0.00 N +ATOM 45 H ILE 4 43.282 33.025 41.989 1.00 0.00 H +ATOM 46 CA ILE 4 44.128 32.363 40.120 1.00 0.00 C +ATOM 47 HA ILE 4 45.183 32.426 39.903 1.00 0.00 H +ATOM 48 CB ILE 4 43.792 30.988 40.695 1.00 0.00 C +ATOM 49 HB ILE 4 42.726 30.914 40.851 1.00 0.00 H +ATOM 50 CG2 ILE 4 44.240 29.903 39.714 1.00 0.00 C +ATOM 51 HG21 ILE 4 44.583 30.364 38.800 1.00 0.00 H +ATOM 52 HG22 ILE 4 45.044 29.330 40.153 1.00 0.00 H +ATOM 53 HG23 ILE 4 43.409 29.248 39.497 1.00 0.00 H +ATOM 54 CG1 ILE 4 44.521 30.801 42.028 1.00 0.00 C +ATOM 55 HG12 ILE 4 45.588 30.836 41.863 1.00 0.00 H +ATOM 56 HG13 ILE 4 44.237 31.591 42.707 1.00 0.00 H +ATOM 57 CD1 ILE 4 44.140 29.449 42.634 1.00 0.00 C +ATOM 58 HD11 ILE 4 43.137 29.189 42.332 1.00 0.00 H +ATOM 59 HD12 ILE 4 44.828 28.693 42.286 1.00 0.00 H +ATOM 60 HD13 ILE 4 44.187 29.511 43.711 1.00 0.00 H +ATOM 61 C ILE 4 43.305 32.634 38.860 1.00 0.00 C +ATOM 62 O ILE 4 43.836 32.779 37.776 1.00 0.00 O +ATOM 63 N TYR 5 42.009 32.708 38.995 1.00 0.00 N +ATOM 64 H TYR 5 41.602 32.592 39.880 1.00 0.00 H +ATOM 65 CA TYR 5 41.149 32.975 37.810 1.00 0.00 C +ATOM 66 HA TYR 5 41.291 32.214 37.059 1.00 0.00 H +ATOM 67 CB TYR 5 39.717 32.928 38.342 1.00 0.00 C +ATOM 68 HB2 TYR 5 39.658 33.488 39.263 1.00 0.00 H +ATOM 69 HB3 TYR 5 39.047 33.362 37.613 1.00 0.00 H +ATOM 70 CG TYR 5 39.322 31.493 38.597 1.00 0.00 C +ATOM 71 CD1 TYR 5 38.948 30.669 37.529 1.00 0.00 C +ATOM 72 HD1 TYR 5 38.944 31.058 36.522 1.00 0.00 H +ATOM 73 CE1 TYR 5 38.581 29.338 37.767 1.00 0.00 C +ATOM 74 HE1 TYR 5 38.293 28.702 36.943 1.00 0.00 H +ATOM 75 CZ TYR 5 38.588 28.833 39.073 1.00 0.00 C +ATOM 76 OH TYR 5 38.227 27.522 39.308 1.00 0.00 O +ATOM 77 HH TYR 5 38.974 27.077 39.713 1.00 0.00 H +ATOM 78 CE2 TYR 5 38.961 29.659 40.140 1.00 0.00 C +ATOM 79 HE2 TYR 5 38.966 29.269 41.148 1.00 0.00 H +ATOM 80 CD2 TYR 5 39.328 30.988 39.902 1.00 0.00 C +ATOM 81 HD2 TYR 5 39.616 31.625 40.726 1.00 0.00 H +ATOM 82 C TYR 5 41.466 34.359 37.237 1.00 0.00 C +ATOM 83 O TYR 5 41.570 34.538 36.040 1.00 0.00 O +ATOM 84 N LYS 6 41.622 35.340 38.084 1.00 0.00 N +ATOM 85 H LYS 6 41.536 35.176 39.046 1.00 0.00 H +ATOM 86 CA LYS 6 41.936 36.710 37.587 1.00 0.00 C +ATOM 87 HA LYS 6 41.053 37.178 37.181 1.00 0.00 H +ATOM 88 CB LYS 6 42.418 37.479 38.816 1.00 0.00 C +ATOM 89 HB2 LYS 6 43.039 36.835 39.423 1.00 0.00 H +ATOM 90 HB3 LYS 6 42.992 38.338 38.501 1.00 0.00 H +ATOM 91 CG LYS 6 41.214 37.948 39.634 1.00 0.00 C +ATOM 92 HG2 LYS 6 40.404 38.204 38.967 1.00 0.00 H +ATOM 93 HG3 LYS 6 40.899 37.156 40.297 1.00 0.00 H +ATOM 94 CD LYS 6 41.605 39.175 40.460 1.00 0.00 C +ATOM 95 HD2 LYS 6 42.497 38.955 41.030 1.00 0.00 H +ATOM 96 HD3 LYS 6 41.795 40.008 39.799 1.00 0.00 H +ATOM 97 CE LYS 6 40.465 39.534 41.415 1.00 0.00 C +ATOM 98 HE2 LYS 6 40.226 40.586 41.334 1.00 0.00 H +ATOM 99 HE3 LYS 6 39.594 38.933 41.205 1.00 0.00 H +ATOM 100 NZ LYS 6 40.987 39.219 42.774 1.00 0.00 N +ATOM 101 HZ1 LYS 6 41.969 39.554 42.853 1.00 0.00 H +ATOM 102 HZ2 LYS 6 40.399 39.691 43.489 1.00 0.00 H +ATOM 103 HZ3 LYS 6 40.957 38.191 42.927 1.00 0.00 H +ATOM 104 C LYS 6 43.043 36.643 36.533 1.00 0.00 C +ATOM 105 O LYS 6 42.892 37.121 35.426 1.00 0.00 O +ATOM 106 N ALA 7 44.155 36.048 36.870 1.00 0.00 N +ATOM 107 H ALA 7 44.255 35.669 37.767 1.00 0.00 H +ATOM 108 CA ALA 7 45.272 35.946 35.889 1.00 0.00 C +ATOM 109 HA ALA 7 45.551 36.925 35.532 1.00 0.00 H +ATOM 110 CB ALA 7 46.430 35.324 36.671 1.00 0.00 C +ATOM 111 HB1 ALA 7 46.057 34.516 37.284 1.00 0.00 H +ATOM 112 HB2 ALA 7 47.167 34.943 35.981 1.00 0.00 H +ATOM 113 HB3 ALA 7 46.882 36.075 37.303 1.00 0.00 H +ATOM 114 C ALA 7 44.866 35.044 34.721 1.00 0.00 C +ATOM 115 O ALA 7 45.323 35.208 33.608 1.00 0.00 O +ATOM 116 N ALA 8 44.006 34.092 34.967 1.00 0.00 N +ATOM 117 H ALA 8 43.646 33.977 35.872 1.00 0.00 H +ATOM 118 CA ALA 8 43.567 33.181 33.871 1.00 0.00 C +ATOM 119 HA ALA 8 44.400 32.601 33.506 1.00 0.00 H +ATOM 120 CB ALA 8 42.528 32.260 34.512 1.00 0.00 C +ATOM 121 HB1 ALA 8 42.826 32.029 35.524 1.00 0.00 H +ATOM 122 HB2 ALA 8 41.568 32.753 34.522 1.00 0.00 H +ATOM 123 HB3 ALA 8 42.456 31.346 33.941 1.00 0.00 H +ATOM 124 C ALA 8 42.939 33.992 32.735 1.00 0.00 C +ATOM 125 O ALA 8 43.082 33.666 31.573 1.00 0.00 O +ATOM 126 N VAL 9 42.243 35.046 33.062 1.00 0.00 N +ATOM 127 H VAL 9 42.141 35.291 34.005 1.00 0.00 H +ATOM 128 CA VAL 9 41.608 35.880 32.002 1.00 0.00 C +ATOM 129 HA VAL 9 41.004 35.267 31.351 1.00 0.00 H +ATOM 130 CB VAL 9 40.722 36.872 32.758 1.00 0.00 C +ATOM 131 HB VAL 9 41.250 37.230 33.632 1.00 0.00 H +ATOM 132 CG1 VAL 9 40.380 38.057 31.851 1.00 0.00 C +ATOM 133 HG11 VAL 9 40.593 37.797 30.825 1.00 0.00 H +ATOM 134 HG12 VAL 9 39.332 38.297 31.952 1.00 0.00 H +ATOM 135 HG13 VAL 9 40.974 38.912 32.137 1.00 0.00 H +ATOM 136 CG2 VAL 9 39.431 36.175 33.192 1.00 0.00 C +ATOM 137 HG21 VAL 9 39.416 35.169 32.799 1.00 0.00 H +ATOM 138 HG22 VAL 9 39.385 36.142 34.271 1.00 0.00 H +ATOM 139 HG23 VAL 9 38.582 36.723 32.813 1.00 0.00 H +ATOM 140 C VAL 9 42.685 36.616 31.201 1.00 0.00 C +ATOM 141 O VAL 9 42.560 36.816 30.008 1.00 0.00 O +ATOM 142 N GLU 10 43.742 37.023 31.849 1.00 0.00 N +ATOM 143 H GLU 10 43.823 36.852 32.810 1.00 0.00 H +ATOM 144 CA GLU 10 44.827 37.748 31.127 1.00 0.00 C +ATOM 145 HA GLU 10 44.412 38.531 30.511 1.00 0.00 H +ATOM 146 CB GLU 10 45.696 38.356 32.229 1.00 0.00 C +ATOM 147 HB2 GLU 10 46.190 37.565 32.775 1.00 0.00 H +ATOM 148 HB3 GLU 10 46.437 39.005 31.787 1.00 0.00 H +ATOM 149 CG GLU 10 44.818 39.166 33.186 1.00 0.00 C +ATOM 150 HG2 GLU 10 44.003 39.614 32.635 1.00 0.00 H +ATOM 151 HG3 GLU 10 44.422 38.514 33.949 1.00 0.00 H +ATOM 152 CD GLU 10 45.655 40.266 33.842 1.00 0.00 C +ATOM 153 OE1 GLU 10 46.329 39.968 34.815 1.00 0.00 O +ATOM 154 OE2 GLU 10 45.608 41.386 33.362 1.00 0.00 O +ATOM 155 C GLU 10 45.643 36.772 30.274 1.00 0.00 C +ATOM 156 O GLU 10 46.235 37.146 29.282 1.00 0.00 O +ATOM 157 N GLN 11 45.678 35.523 30.653 1.00 0.00 N +ATOM 158 H GLN 11 45.195 35.240 31.457 1.00 0.00 H +ATOM 159 CA GLN 11 46.457 34.526 29.863 1.00 0.00 C +ATOM 160 HA GLN 11 47.499 34.801 29.830 1.00 0.00 H +ATOM 161 CB GLN 11 46.289 33.207 30.619 1.00 0.00 C +ATOM 162 HB2 GLN 11 45.551 33.331 31.398 1.00 0.00 H +ATOM 163 HB3 GLN 11 45.966 32.437 29.934 1.00 0.00 H +ATOM 164 CG GLN 11 47.627 32.802 31.241 1.00 0.00 C +ATOM 165 HG2 GLN 11 47.597 31.757 31.510 1.00 0.00 H +ATOM 166 HG3 GLN 11 48.420 32.970 30.528 1.00 0.00 H +ATOM 167 CD GLN 11 47.884 33.646 32.492 1.00 0.00 C +ATOM 168 OE1 GLN 11 48.170 34.822 32.398 1.00 0.00 O +ATOM 169 NE2 GLN 11 47.795 33.089 33.669 1.00 0.00 N +ATOM 170 HE21 GLN 11 47.565 32.139 33.744 1.00 0.00 H +ATOM 171 HE22 GLN 11 47.958 33.620 34.476 1.00 0.00 H +ATOM 172 C GLN 11 45.888 34.409 28.446 1.00 0.00 C +ATOM 173 O GLN 11 46.596 34.105 27.506 1.00 0.00 O +ATOM 174 N LEU 12 44.616 34.647 28.284 1.00 0.00 N +ATOM 175 H LEU 12 44.061 34.890 29.055 1.00 0.00 H +ATOM 176 CA LEU 12 44.005 34.550 26.927 1.00 0.00 C +ATOM 177 HA LEU 12 43.924 33.518 26.624 1.00 0.00 H +ATOM 178 CB LEU 12 42.612 35.161 27.076 1.00 0.00 C +ATOM 179 HB2 LEU 12 42.700 36.164 27.469 1.00 0.00 H +ATOM 180 HB3 LEU 12 42.129 35.194 26.111 1.00 0.00 H +ATOM 181 CG LEU 12 41.778 34.308 28.032 1.00 0.00 C +ATOM 182 HG LEU 12 42.329 34.151 28.948 1.00 0.00 H +ATOM 183 CD1 LEU 12 40.465 35.027 28.343 1.00 0.00 C +ATOM 184 HD11 LEU 12 40.591 36.089 28.187 1.00 0.00 H +ATOM 185 HD12 LEU 12 39.688 34.657 27.692 1.00 0.00 H +ATOM 186 HD13 LEU 12 40.190 34.846 29.372 1.00 0.00 H +ATOM 187 CD2 LEU 12 41.474 32.957 27.378 1.00 0.00 C +ATOM 188 HD21 LEU 12 42.391 32.516 27.019 1.00 0.00 H +ATOM 189 HD22 LEU 12 41.019 32.300 28.105 1.00 0.00 H +ATOM 190 HD23 LEU 12 40.795 33.103 26.551 1.00 0.00 H +ATOM 191 C LEU 12 44.834 35.343 25.915 1.00 0.00 C +ATOM 192 O LEU 12 45.239 36.460 26.168 1.00 0.00 O +ATOM 193 N THR 13 45.087 34.776 24.767 1.00 0.00 N +ATOM 194 H THR 13 44.748 33.874 24.583 1.00 0.00 H +ATOM 195 CA THR 13 45.887 35.496 23.735 1.00 0.00 C +ATOM 196 HA THR 13 46.838 35.803 24.142 1.00 0.00 H +ATOM 197 CB THR 13 46.102 34.479 22.611 1.00 0.00 C +ATOM 198 HB THR 13 45.818 34.919 21.668 1.00 0.00 H +ATOM 199 CG2 THR 13 47.577 34.079 22.556 1.00 0.00 C +ATOM 200 HG21 THR 13 48.192 34.965 22.593 1.00 0.00 H +ATOM 201 HG22 THR 13 47.810 33.444 23.396 1.00 0.00 H +ATOM 202 HG23 THR 13 47.770 33.544 21.637 1.00 0.00 H +ATOM 203 OG1 THR 13 45.305 33.326 22.854 1.00 0.00 O +ATOM 204 HG1 THR 13 45.379 32.749 22.091 1.00 0.00 H +ATOM 205 C THR 13 45.109 36.711 23.219 1.00 0.00 C +ATOM 206 O THR 13 43.911 36.811 23.392 1.00 0.00 O +ATOM 207 N GLU 14 45.782 37.634 22.589 1.00 0.00 N +ATOM 208 H GLU 14 46.749 37.534 22.461 1.00 0.00 H +ATOM 209 CA GLU 14 45.083 38.842 22.063 1.00 0.00 C +ATOM 210 HA GLU 14 44.730 39.457 22.876 1.00 0.00 H +ATOM 211 CB GLU 14 46.146 39.596 21.263 1.00 0.00 C +ATOM 212 HB2 GLU 14 45.695 40.454 20.785 1.00 0.00 H +ATOM 213 HB3 GLU 14 46.932 39.923 21.926 1.00 0.00 H +ATOM 214 CG GLU 14 46.734 38.669 20.197 1.00 0.00 C +ATOM 215 HG2 GLU 14 46.795 37.663 20.588 1.00 0.00 H +ATOM 216 HG3 GLU 14 46.101 38.677 19.323 1.00 0.00 H +ATOM 217 CD GLU 14 48.135 39.151 19.813 1.00 0.00 C +ATOM 218 OE1 GLU 14 48.712 39.903 20.580 1.00 0.00 O +ATOM 219 OE2 GLU 14 48.605 38.760 18.757 1.00 0.00 O +ATOM 220 C GLU 14 43.919 38.432 21.155 1.00 0.00 C +ATOM 221 O GLU 14 42.838 38.983 21.229 1.00 0.00 O +ATOM 222 N GLU 15 44.133 37.472 20.297 1.00 0.00 N +ATOM 223 H GLU 15 45.012 37.043 20.252 1.00 0.00 H +ATOM 224 CA GLU 15 43.039 37.032 19.383 1.00 0.00 C +ATOM 225 HA GLU 15 42.841 37.790 18.642 1.00 0.00 H +ATOM 226 CB GLU 15 43.573 35.769 18.708 1.00 0.00 C +ATOM 227 HB2 GLU 15 42.900 35.474 17.915 1.00 0.00 H +ATOM 228 HB3 GLU 15 44.551 35.966 18.295 1.00 0.00 H +ATOM 229 CG GLU 15 43.674 34.643 19.739 1.00 0.00 C +ATOM 230 HG2 GLU 15 44.030 35.046 20.676 1.00 0.00 H +ATOM 231 HG3 GLU 15 42.700 34.200 19.884 1.00 0.00 H +ATOM 232 CD GLU 15 44.648 33.576 19.237 1.00 0.00 C +ATOM 233 OE1 GLU 15 44.247 32.785 18.399 1.00 0.00 O +ATOM 234 OE2 GLU 15 45.776 33.568 19.699 1.00 0.00 O +ATOM 235 C GLU 15 41.770 36.718 20.182 1.00 0.00 C +ATOM 236 O GLU 15 40.669 36.828 19.680 1.00 0.00 O +ATOM 237 N GLN 16 41.914 36.326 21.418 1.00 0.00 N +ATOM 238 H GLN 16 42.811 36.243 21.805 1.00 0.00 H +ATOM 239 CA GLN 16 40.712 36.005 22.244 1.00 0.00 C +ATOM 240 HA GLN 16 40.035 35.370 21.694 1.00 0.00 H +ATOM 241 CB GLN 16 41.245 35.264 23.475 1.00 0.00 C +ATOM 242 HB2 GLN 16 41.615 35.981 24.192 1.00 0.00 H +ATOM 243 HB3 GLN 16 40.447 34.690 23.922 1.00 0.00 H +ATOM 244 CG GLN 16 42.379 34.320 23.067 1.00 0.00 C +ATOM 245 HG2 GLN 16 42.311 34.114 22.009 1.00 0.00 H +ATOM 246 HG3 GLN 16 43.328 34.787 23.284 1.00 0.00 H +ATOM 247 CD GLN 16 42.265 33.011 23.851 1.00 0.00 C +ATOM 248 OE1 GLN 16 42.906 32.842 24.869 1.00 0.00 O +ATOM 249 NE2 GLN 16 41.472 32.071 23.416 1.00 0.00 N +ATOM 250 HE21 GLN 16 40.955 32.208 22.594 1.00 0.00 H +ATOM 251 HE22 GLN 16 41.392 31.228 23.910 1.00 0.00 H +ATOM 252 C GLN 16 40.010 37.296 22.669 1.00 0.00 C +ATOM 253 O GLN 16 38.855 37.520 22.359 1.00 0.00 O +ATOM 254 N LYS 17 40.700 38.146 23.377 1.00 0.00 N +ATOM 255 H LYS 17 41.630 37.942 23.614 1.00 0.00 H +ATOM 256 CA LYS 17 40.077 39.425 23.827 1.00 0.00 C +ATOM 257 HA LYS 17 39.189 39.229 24.404 1.00 0.00 H +ATOM 258 CB LYS 17 41.134 40.090 24.710 1.00 0.00 C +ATOM 259 HB2 LYS 17 42.064 40.165 24.163 1.00 0.00 H +ATOM 260 HB3 LYS 17 40.800 41.077 24.991 1.00 0.00 H +ATOM 261 CG LYS 17 41.351 39.249 25.969 1.00 0.00 C +ATOM 262 HG2 LYS 17 40.670 39.579 26.742 1.00 0.00 H +ATOM 263 HG3 LYS 17 41.165 38.210 25.745 1.00 0.00 H +ATOM 264 CD LYS 17 42.792 39.416 26.453 1.00 0.00 C +ATOM 265 HD2 LYS 17 43.179 38.458 26.768 1.00 0.00 H +ATOM 266 HD3 LYS 17 43.400 39.803 25.648 1.00 0.00 H +ATOM 267 CE LYS 17 42.827 40.393 27.630 1.00 0.00 C +ATOM 268 HE2 LYS 17 42.151 41.219 27.452 1.00 0.00 H +ATOM 269 HE3 LYS 17 42.572 39.886 28.547 1.00 0.00 H +ATOM 270 NZ LYS 17 44.235 40.873 27.686 1.00 0.00 N +ATOM 271 HZ1 LYS 17 44.880 40.057 27.672 1.00 0.00 H +ATOM 272 HZ2 LYS 17 44.428 41.482 26.866 1.00 0.00 H +ATOM 273 HZ3 LYS 17 44.382 41.417 28.560 1.00 0.00 H +ATOM 274 C LYS 17 39.750 40.315 22.624 1.00 0.00 C +ATOM 275 O LYS 17 39.035 41.290 22.739 1.00 0.00 O +ATOM 276 N ASN 18 40.271 39.990 21.471 1.00 0.00 N +ATOM 277 H ASN 18 40.850 39.202 21.399 1.00 0.00 H +ATOM 278 CA ASN 18 39.990 40.824 20.266 1.00 0.00 C +ATOM 279 HA ASN 18 40.126 41.869 20.492 1.00 0.00 H +ATOM 280 CB ASN 18 41.019 40.380 19.225 1.00 0.00 C +ATOM 281 HB2 ASN 18 41.568 39.528 19.602 1.00 0.00 H +ATOM 282 HB3 ASN 18 40.513 40.107 18.312 1.00 0.00 H +ATOM 283 CG ASN 18 41.989 41.529 18.944 1.00 0.00 C +ATOM 284 OD1 ASN 18 42.043 42.489 19.686 1.00 0.00 O +ATOM 285 ND2 ASN 18 42.764 41.471 17.896 1.00 0.00 N +ATOM 286 HD21 ASN 18 42.721 40.697 17.297 1.00 0.00 H +ATOM 287 HD22 ASN 18 43.387 42.202 17.706 1.00 0.00 H +ATOM 288 C ASN 18 38.569 40.568 19.758 1.00 0.00 C +ATOM 289 O ASN 18 37.851 41.482 19.406 1.00 0.00 O +ATOM 290 N GLU 19 38.157 39.330 19.711 1.00 0.00 N +ATOM 291 H GLU 19 38.751 38.605 19.996 1.00 0.00 H +ATOM 292 CA GLU 19 36.783 39.019 19.220 1.00 0.00 C +ATOM 293 HA GLU 19 36.531 39.650 18.383 1.00 0.00 H +ATOM 294 CB GLU 19 36.848 37.560 18.770 1.00 0.00 C +ATOM 295 HB2 GLU 19 37.105 36.934 19.613 1.00 0.00 H +ATOM 296 HB3 GLU 19 35.887 37.260 18.379 1.00 0.00 H +ATOM 297 CG GLU 19 37.909 37.411 17.679 1.00 0.00 C +ATOM 298 HG2 GLU 19 37.441 37.496 16.708 1.00 0.00 H +ATOM 299 HG3 GLU 19 38.651 38.187 17.791 1.00 0.00 H +ATOM 300 CD GLU 19 38.581 36.043 17.804 1.00 0.00 C +ATOM 301 OE1 GLU 19 38.365 35.389 18.811 1.00 0.00 O +ATOM 302 OE2 GLU 19 39.301 35.673 16.891 1.00 0.00 O +ATOM 303 C GLU 19 35.760 39.190 20.347 1.00 0.00 C +ATOM 304 O GLU 19 34.614 39.515 20.110 1.00 0.00 O +ATOM 305 N PHE 20 36.162 38.971 21.568 1.00 0.00 N +ATOM 306 H PHE 20 37.090 38.708 21.739 1.00 0.00 H +ATOM 307 CA PHE 20 35.205 39.121 22.703 1.00 0.00 C +ATOM 308 HA PHE 20 34.325 38.524 22.534 1.00 0.00 H +ATOM 309 CB PHE 20 35.959 38.606 23.930 1.00 0.00 C +ATOM 310 HB2 PHE 20 36.857 39.189 24.070 1.00 0.00 H +ATOM 311 HB3 PHE 20 35.330 38.700 24.804 1.00 0.00 H +ATOM 312 CG PHE 20 36.329 37.153 23.733 1.00 0.00 C +ATOM 313 CD1 PHE 20 35.553 36.333 22.902 1.00 0.00 C +ATOM 314 HD1 PHE 20 34.688 36.735 22.399 1.00 0.00 H +ATOM 315 CE1 PHE 20 35.899 34.988 22.725 1.00 0.00 C +ATOM 316 HE1 PHE 20 35.300 34.356 22.084 1.00 0.00 H +ATOM 317 CZ PHE 20 37.020 34.461 23.376 1.00 0.00 C +ATOM 318 HZ PHE 20 37.287 33.423 23.238 1.00 0.00 H +ATOM 319 CE2 PHE 20 37.796 35.279 24.206 1.00 0.00 C +ATOM 320 HE2 PHE 20 38.662 34.873 24.708 1.00 0.00 H +ATOM 321 CD2 PHE 20 37.451 36.624 24.384 1.00 0.00 C +ATOM 322 HD2 PHE 20 38.050 37.255 25.024 1.00 0.00 H +ATOM 323 C PHE 20 34.821 40.593 22.883 1.00 0.00 C +ATOM 324 O PHE 20 33.734 40.908 23.322 1.00 0.00 O +ATOM 325 N LYS 21 35.699 41.497 22.543 1.00 0.00 N +ATOM 326 H LYS 21 36.570 41.225 22.186 1.00 0.00 H +ATOM 327 CA LYS 21 35.371 42.944 22.693 1.00 0.00 C +ATOM 328 HA LYS 21 35.064 43.159 23.704 1.00 0.00 H +ATOM 329 CB LYS 21 36.671 43.684 22.370 1.00 0.00 C +ATOM 330 HB2 LYS 21 37.345 43.610 23.212 1.00 0.00 H +ATOM 331 HB3 LYS 21 37.130 43.241 21.500 1.00 0.00 H +ATOM 332 CG LYS 21 36.366 45.157 22.090 1.00 0.00 C +ATOM 333 HG2 LYS 21 36.197 45.293 21.031 1.00 0.00 H +ATOM 334 HG3 LYS 21 35.483 45.453 22.636 1.00 0.00 H +ATOM 335 CD LYS 21 37.550 46.019 22.534 1.00 0.00 C +ATOM 336 HD2 LYS 21 37.952 45.630 23.458 1.00 0.00 H +ATOM 337 HD3 LYS 21 38.315 46.002 21.772 1.00 0.00 H +ATOM 338 CE LYS 21 37.080 47.460 22.748 1.00 0.00 C +ATOM 339 HE2 LYS 21 36.536 47.810 21.882 1.00 0.00 H +ATOM 340 HE3 LYS 21 36.466 47.528 23.633 1.00 0.00 H +ATOM 341 NZ LYS 21 38.329 48.249 22.934 1.00 0.00 N +ATOM 342 HZ1 LYS 21 39.123 47.754 22.476 1.00 0.00 H +ATOM 343 HZ2 LYS 21 38.213 49.189 22.505 1.00 0.00 H +ATOM 344 HZ3 LYS 21 38.525 48.356 23.949 1.00 0.00 H +ATOM 345 C LYS 21 34.268 43.332 21.707 1.00 0.00 C +ATOM 346 O LYS 21 33.334 44.031 22.049 1.00 0.00 O +ATOM 347 N ALA 22 34.363 42.877 20.489 1.00 0.00 N +ATOM 348 H ALA 22 35.121 42.311 20.235 1.00 0.00 H +ATOM 349 CA ALA 22 33.314 43.214 19.486 1.00 0.00 C +ATOM 350 HA ALA 22 33.245 44.282 19.355 1.00 0.00 H +ATOM 351 CB ALA 22 33.781 42.555 18.188 1.00 0.00 C +ATOM 352 HB1 ALA 22 34.160 41.567 18.402 1.00 0.00 H +ATOM 353 HB2 ALA 22 32.948 42.481 17.503 1.00 0.00 H +ATOM 354 HB3 ALA 22 34.562 43.151 17.741 1.00 0.00 H +ATOM 355 C ALA 22 31.968 42.638 19.928 1.00 0.00 C +ATOM 356 O ALA 22 30.953 43.306 19.891 1.00 0.00 O +ATOM 357 N ALA 23 31.952 41.403 20.351 1.00 0.00 N +ATOM 358 H ALA 23 32.783 40.883 20.376 1.00 0.00 H +ATOM 359 CA ALA 23 30.673 40.787 20.801 1.00 0.00 C +ATOM 360 HA ALA 23 29.918 40.881 20.036 1.00 0.00 H +ATOM 361 CB ALA 23 31.003 39.312 21.032 1.00 0.00 C +ATOM 362 HB1 ALA 23 31.785 39.006 20.351 1.00 0.00 H +ATOM 363 HB2 ALA 23 31.338 39.173 22.050 1.00 0.00 H +ATOM 364 HB3 ALA 23 30.120 38.713 20.858 1.00 0.00 H +ATOM 365 C ALA 23 30.204 41.445 22.102 1.00 0.00 C +ATOM 366 O ALA 23 29.023 41.572 22.355 1.00 0.00 O +ATOM 367 N PHE 24 31.124 41.870 22.926 1.00 0.00 N +ATOM 368 H PHE 24 32.072 41.761 22.701 1.00 0.00 H +ATOM 369 CA PHE 24 30.733 42.525 24.206 1.00 0.00 C +ATOM 370 HA PHE 24 30.284 41.809 24.876 1.00 0.00 H +ATOM 371 CB PHE 24 32.042 43.050 24.799 1.00 0.00 C +ATOM 372 HB2 PHE 24 32.609 42.225 25.205 1.00 0.00 H +ATOM 373 HB3 PHE 24 32.617 43.537 24.026 1.00 0.00 H +ATOM 374 CG PHE 24 31.737 44.041 25.897 1.00 0.00 C +ATOM 375 CD1 PHE 24 31.388 45.358 25.573 1.00 0.00 C +ATOM 376 HD1 PHE 24 31.336 45.663 24.539 1.00 0.00 H +ATOM 377 CE1 PHE 24 31.106 46.277 26.590 1.00 0.00 C +ATOM 378 HE1 PHE 24 30.836 47.293 26.339 1.00 0.00 H +ATOM 379 CZ PHE 24 31.172 45.882 27.930 1.00 0.00 C +ATOM 380 HZ PHE 24 30.954 46.592 28.714 1.00 0.00 H +ATOM 381 CE2 PHE 24 31.522 44.565 28.256 1.00 0.00 C +ATOM 382 HE2 PHE 24 31.573 44.260 29.290 1.00 0.00 H +ATOM 383 CD2 PHE 24 31.804 43.644 27.239 1.00 0.00 C +ATOM 384 HD2 PHE 24 32.073 42.629 27.490 1.00 0.00 H +ATOM 385 C PHE 24 29.767 43.679 23.927 1.00 0.00 C +ATOM 386 O PHE 24 28.792 43.870 24.626 1.00 0.00 O +ATOM 387 N ASP 25 30.033 44.449 22.907 1.00 0.00 N +ATOM 388 H ASP 25 30.825 44.277 22.356 1.00 0.00 H +ATOM 389 CA ASP 25 29.129 45.590 22.580 1.00 0.00 C +ATOM 390 HA ASP 25 28.969 46.209 23.449 1.00 0.00 H +ATOM 391 CB ASP 25 29.869 46.384 21.502 1.00 0.00 C +ATOM 392 HB2 ASP 25 30.094 45.733 20.669 1.00 0.00 H +ATOM 393 HB3 ASP 25 29.246 47.198 21.163 1.00 0.00 H +ATOM 394 CG ASP 25 31.169 46.945 22.077 1.00 0.00 C +ATOM 395 OD1 ASP 25 32.118 46.188 22.196 1.00 0.00 O +ATOM 396 OD2 ASP 25 31.194 48.125 22.390 1.00 0.00 O +ATOM 397 C ASP 25 27.797 45.071 22.036 1.00 0.00 C +ATOM 398 O ASP 25 26.797 45.762 22.051 1.00 0.00 O +ATOM 399 N ILE 26 27.776 43.860 21.547 1.00 0.00 N +ATOM 400 H ILE 26 28.594 43.322 21.539 1.00 0.00 H +ATOM 401 CA ILE 26 26.512 43.300 20.993 1.00 0.00 C +ATOM 402 HA ILE 26 26.050 44.006 20.323 1.00 0.00 H +ATOM 403 CB ILE 26 26.942 42.063 20.215 1.00 0.00 C +ATOM 404 HB ILE 26 27.509 41.408 20.861 1.00 0.00 H +ATOM 405 CG2 ILE 26 25.696 41.329 19.710 1.00 0.00 C +ATOM 406 HG21 ILE 26 24.932 41.352 20.472 1.00 0.00 H +ATOM 407 HG22 ILE 26 25.330 41.814 18.818 1.00 0.00 H +ATOM 408 HG23 ILE 26 25.949 40.303 19.485 1.00 0.00 H +ATOM 409 CG1 ILE 26 27.811 42.497 19.029 1.00 0.00 C +ATOM 410 HG12 ILE 26 27.391 43.388 18.583 1.00 0.00 H +ATOM 411 HG13 ILE 26 28.812 42.707 19.375 1.00 0.00 H +ATOM 412 CD1 ILE 26 27.863 41.384 17.983 1.00 0.00 C +ATOM 413 HD11 ILE 26 27.594 40.446 18.446 1.00 0.00 H +ATOM 414 HD12 ILE 26 27.166 41.606 17.190 1.00 0.00 H +ATOM 415 HD13 ILE 26 28.861 41.313 17.579 1.00 0.00 H +ATOM 416 C ILE 26 25.547 42.917 22.120 1.00 0.00 C +ATOM 417 O ILE 26 24.351 42.839 21.922 1.00 0.00 O +ATOM 418 N PHE 27 26.053 42.675 23.299 1.00 0.00 N +ATOM 419 H PHE 27 27.020 42.739 23.443 1.00 0.00 H +ATOM 420 CA PHE 27 25.156 42.295 24.426 1.00 0.00 C +ATOM 421 HA PHE 27 24.314 41.728 24.061 1.00 0.00 H +ATOM 422 CB PHE 27 26.019 41.418 25.333 1.00 0.00 C +ATOM 423 HB2 PHE 27 26.784 42.023 25.797 1.00 0.00 H +ATOM 424 HB3 PHE 27 25.401 40.969 26.098 1.00 0.00 H +ATOM 425 CG PHE 27 26.663 40.331 24.506 1.00 0.00 C +ATOM 426 CD1 PHE 27 25.870 39.485 23.722 1.00 0.00 C +ATOM 427 HD1 PHE 27 24.797 39.605 23.712 1.00 0.00 H +ATOM 428 CE1 PHE 27 26.468 38.479 22.951 1.00 0.00 C +ATOM 429 HE1 PHE 27 25.855 37.826 22.347 1.00 0.00 H +ATOM 430 CZ PHE 27 27.859 38.322 22.964 1.00 0.00 C +ATOM 431 HZ PHE 27 28.319 37.547 22.369 1.00 0.00 H +ATOM 432 CE2 PHE 27 28.652 39.168 23.747 1.00 0.00 C +ATOM 433 HE2 PHE 27 29.725 39.045 23.758 1.00 0.00 H +ATOM 434 CD2 PHE 27 28.055 40.172 24.519 1.00 0.00 C +ATOM 435 HD2 PHE 27 28.667 40.824 25.124 1.00 0.00 H +ATOM 436 C PHE 27 24.677 43.545 25.170 1.00 0.00 C +ATOM 437 O PHE 27 23.599 43.568 25.731 1.00 0.00 O +ATOM 438 N VAL 28 25.465 44.586 25.176 1.00 0.00 N +ATOM 439 H VAL 28 26.328 44.550 24.718 1.00 0.00 H +ATOM 440 CA VAL 28 25.050 45.831 25.880 1.00 0.00 C +ATOM 441 HA VAL 28 24.622 45.597 26.842 1.00 0.00 H +ATOM 442 CB VAL 28 26.341 46.626 26.063 1.00 0.00 C +ATOM 443 HB VAL 28 26.129 47.532 26.605 1.00 0.00 H +ATOM 444 CG1 VAL 28 27.350 45.788 26.850 1.00 0.00 C +ATOM 445 HG11 VAL 28 26.852 44.925 27.266 1.00 0.00 H +ATOM 446 HG12 VAL 28 28.142 45.466 26.191 1.00 0.00 H +ATOM 447 HG13 VAL 28 27.765 46.384 27.650 1.00 0.00 H +ATOM 448 CG2 VAL 28 26.927 46.975 24.692 1.00 0.00 C +ATOM 449 HG21 VAL 28 26.171 47.458 24.090 1.00 0.00 H +ATOM 450 HG22 VAL 28 27.767 47.642 24.819 1.00 0.00 H +ATOM 451 HG23 VAL 28 27.256 46.072 24.200 1.00 0.00 H +ATOM 452 C VAL 28 24.050 46.616 25.026 1.00 0.00 C +ATOM 453 O VAL 28 23.645 47.708 25.372 1.00 0.00 O +ATOM 454 N LEU 29 23.650 46.068 23.911 1.00 0.00 N +ATOM 455 H LEU 29 23.989 45.186 23.650 1.00 0.00 H +ATOM 456 CA LEU 29 22.676 46.781 23.036 1.00 0.00 C +ATOM 457 HA LEU 29 23.131 47.657 22.601 1.00 0.00 H +ATOM 458 CB LEU 29 22.322 45.778 21.937 1.00 0.00 C +ATOM 459 HB2 LEU 29 22.649 44.792 22.234 1.00 0.00 H +ATOM 460 HB3 LEU 29 21.254 45.774 21.785 1.00 0.00 H +ATOM 461 CG LEU 29 23.019 46.177 20.637 1.00 0.00 C +ATOM 462 HG LEU 29 22.913 45.382 19.913 1.00 0.00 H +ATOM 463 CD1 LEU 29 22.378 47.454 20.086 1.00 0.00 C +ATOM 464 HD11 LEU 29 21.490 47.685 20.655 1.00 0.00 H +ATOM 465 HD12 LEU 29 23.080 48.270 20.163 1.00 0.00 H +ATOM 466 HD13 LEU 29 22.112 47.304 19.051 1.00 0.00 H +ATOM 467 CD2 LEU 29 24.503 46.430 20.911 1.00 0.00 C +ATOM 468 HD21 LEU 29 24.710 46.260 21.957 1.00 0.00 H +ATOM 469 HD22 LEU 29 25.099 45.756 20.312 1.00 0.00 H +ATOM 470 HD23 LEU 29 24.749 47.451 20.656 1.00 0.00 H +ATOM 471 C LEU 29 21.426 47.164 23.831 1.00 0.00 C +ATOM 472 O LEU 29 20.445 46.448 23.848 1.00 0.00 O +ATOM 473 N GLY 30 21.452 48.290 24.491 1.00 0.00 N +ATOM 474 H GLY 30 22.252 48.855 24.465 1.00 0.00 H +ATOM 475 CA GLY 30 20.264 48.716 25.283 1.00 0.00 C +ATOM 476 HA2 GLY 30 19.798 49.566 24.803 1.00 0.00 H +ATOM 477 HA3 GLY 30 19.557 47.901 25.340 1.00 0.00 H +ATOM 478 C GLY 30 20.703 49.103 26.696 1.00 0.00 C +ATOM 479 O GLY 30 19.972 49.736 27.431 1.00 0.00 O +ATOM 480 N ALA 31 21.892 48.729 27.081 1.00 0.00 N +ATOM 481 H ALA 31 22.469 48.219 26.473 1.00 0.00 H +ATOM 482 CA ALA 31 22.375 49.080 28.447 1.00 0.00 C +ATOM 483 HA ALA 31 21.801 48.557 29.196 1.00 0.00 H +ATOM 484 CB ALA 31 23.830 48.614 28.484 1.00 0.00 C +ATOM 485 HB1 ALA 31 23.875 47.558 28.261 1.00 0.00 H +ATOM 486 HB2 ALA 31 24.402 49.162 27.750 1.00 0.00 H +ATOM 487 HB3 ALA 31 24.239 48.791 29.467 1.00 0.00 H +ATOM 488 C ALA 31 22.288 50.593 28.663 1.00 0.00 C +ATOM 489 O ALA 31 21.779 51.318 27.832 1.00 0.00 O +ATOM 490 N GLU 32 22.782 51.075 29.770 1.00 0.00 N +ATOM 491 H GLU 32 23.189 50.475 30.428 1.00 0.00 H +ATOM 492 CA GLU 32 22.726 52.543 30.031 1.00 0.00 C +ATOM 493 HA GLU 32 22.088 53.029 29.310 1.00 0.00 H +ATOM 494 CB GLU 32 22.127 52.676 31.431 1.00 0.00 C +ATOM 495 HB2 GLU 32 22.214 53.701 31.763 1.00 0.00 H +ATOM 496 HB3 GLU 32 21.086 52.393 31.406 1.00 0.00 H +ATOM 497 CG GLU 32 22.878 51.761 32.399 1.00 0.00 C +ATOM 498 HG2 GLU 32 22.370 50.810 32.462 1.00 0.00 H +ATOM 499 HG3 GLU 32 23.885 51.608 32.042 1.00 0.00 H +ATOM 500 CD GLU 32 22.923 52.411 33.783 1.00 0.00 C +ATOM 501 OE1 GLU 32 21.867 52.765 34.283 1.00 0.00 O +ATOM 502 OE2 GLU 32 24.010 52.543 34.318 1.00 0.00 O +ATOM 503 C GLU 32 24.133 53.142 29.989 1.00 0.00 C +ATOM 504 O GLU 32 24.314 54.307 29.696 1.00 0.00 O +ATOM 505 N ASP 33 25.134 52.356 30.279 1.00 0.00 N +ATOM 506 H ASP 33 24.970 51.419 30.514 1.00 0.00 H +ATOM 507 CA ASP 33 26.528 52.885 30.253 1.00 0.00 C +ATOM 508 HA ASP 33 26.537 53.905 29.902 1.00 0.00 H +ATOM 509 CB ASP 33 26.999 52.831 31.707 1.00 0.00 C +ATOM 510 HB2 ASP 33 27.918 53.391 31.809 1.00 0.00 H +ATOM 511 HB3 ASP 33 26.243 53.261 32.347 1.00 0.00 H +ATOM 512 CG ASP 33 27.240 51.376 32.112 1.00 0.00 C +ATOM 513 OD1 ASP 33 26.792 50.499 31.392 1.00 0.00 O +ATOM 514 OD2 ASP 33 27.867 51.162 33.137 1.00 0.00 O +ATOM 515 C ASP 33 27.415 52.006 29.367 1.00 0.00 C +ATOM 516 O ASP 33 28.549 52.338 29.085 1.00 0.00 O +ATOM 517 N GLY 34 26.908 50.888 28.926 1.00 0.00 N +ATOM 518 H GLY 34 25.991 50.636 29.163 1.00 0.00 H +ATOM 519 CA GLY 34 27.725 49.992 28.058 1.00 0.00 C +ATOM 520 HA2 GLY 34 27.132 49.672 27.213 1.00 0.00 H +ATOM 521 HA3 GLY 34 28.593 50.526 27.706 1.00 0.00 H +ATOM 522 C GLY 34 28.176 48.770 28.861 1.00 0.00 C +ATOM 523 O GLY 34 29.348 48.459 28.928 1.00 0.00 O +ATOM 524 N CYS 35 27.254 48.074 29.468 1.00 0.00 N +ATOM 525 H CYS 35 26.314 48.340 29.399 1.00 0.00 H +ATOM 526 CA CYS 35 27.632 46.870 30.263 1.00 0.00 C +ATOM 527 HA CYS 35 28.683 46.657 30.148 1.00 0.00 H +ATOM 528 CB CYS 35 27.327 47.240 31.715 1.00 0.00 C +ATOM 529 HB2 CYS 35 26.389 47.775 31.761 1.00 0.00 H +ATOM 530 HB3 CYS 35 27.259 46.342 32.310 1.00 0.00 H +ATOM 531 SG CYS 35 28.652 48.291 32.361 1.00 0.00 S +ATOM 532 HG CYS 35 28.827 48.979 31.713 1.00 0.00 H +ATOM 533 C CYS 35 26.791 45.667 29.826 1.00 0.00 C +ATOM 534 O CYS 35 25.763 45.815 29.195 1.00 0.00 O +ATOM 535 N ILE 36 27.218 44.480 30.154 1.00 0.00 N +ATOM 536 H ILE 36 28.051 44.380 30.661 1.00 0.00 H +ATOM 537 CA ILE 36 26.439 43.271 29.752 1.00 0.00 C +ATOM 538 HA ILE 36 25.730 43.522 28.978 1.00 0.00 H +ATOM 539 CB ILE 36 27.468 42.264 29.212 1.00 0.00 C +ATOM 540 HB ILE 36 27.812 41.635 30.022 1.00 0.00 H +ATOM 541 CG2 ILE 36 26.811 41.393 28.139 1.00 0.00 C +ATOM 542 HG21 ILE 36 25.929 41.888 27.764 1.00 0.00 H +ATOM 543 HG22 ILE 36 27.507 41.236 27.327 1.00 0.00 H +ATOM 544 HG23 ILE 36 26.537 40.440 28.567 1.00 0.00 H +ATOM 545 CG1 ILE 36 28.664 42.999 28.591 1.00 0.00 C +ATOM 546 HG12 ILE 36 28.318 43.632 27.786 1.00 0.00 H +ATOM 547 HG13 ILE 36 29.145 43.604 29.344 1.00 0.00 H +ATOM 548 CD1 ILE 36 29.664 41.978 28.046 1.00 0.00 C +ATOM 549 HD11 ILE 36 29.272 40.982 28.184 1.00 0.00 H +ATOM 550 HD12 ILE 36 29.827 42.159 26.995 1.00 0.00 H +ATOM 551 HD13 ILE 36 30.600 42.072 28.576 1.00 0.00 H +ATOM 552 C ILE 36 25.713 42.694 30.973 1.00 0.00 C +ATOM 553 O ILE 36 26.102 41.680 31.517 1.00 0.00 O +ATOM 554 N SER 37 24.665 43.339 31.408 1.00 0.00 N +ATOM 555 H SER 37 24.372 44.157 30.955 1.00 0.00 H +ATOM 556 CA SER 37 23.916 42.839 32.597 1.00 0.00 C +ATOM 557 HA SER 37 24.493 42.985 33.496 1.00 0.00 H +ATOM 558 CB SER 37 22.648 43.690 32.650 1.00 0.00 C +ATOM 559 HB2 SER 37 22.816 44.622 32.137 1.00 0.00 H +ATOM 560 HB3 SER 37 21.837 43.158 32.169 1.00 0.00 H +ATOM 561 OG SER 37 22.317 43.958 34.007 1.00 0.00 O +ATOM 562 HG SER 37 21.667 43.309 34.288 1.00 0.00 H +ATOM 563 C SER 37 23.560 41.360 32.426 1.00 0.00 C +ATOM 564 O SER 37 23.624 40.815 31.342 1.00 0.00 O +ATOM 565 N THR 38 23.185 40.708 33.492 1.00 0.00 N +ATOM 566 H THR 38 23.142 41.167 34.356 1.00 0.00 H +ATOM 567 CA THR 38 22.824 39.264 33.398 1.00 0.00 C +ATOM 568 HA THR 38 23.673 38.682 33.077 1.00 0.00 H +ATOM 569 CB THR 38 22.427 38.867 34.821 1.00 0.00 C +ATOM 570 HB THR 38 22.239 37.806 34.860 1.00 0.00 H +ATOM 571 CG2 THR 38 23.563 39.214 35.785 1.00 0.00 C +ATOM 572 HG21 THR 38 24.328 39.764 35.258 1.00 0.00 H +ATOM 573 HG22 THR 38 23.177 39.819 36.593 1.00 0.00 H +ATOM 574 HG23 THR 38 23.985 38.304 36.186 1.00 0.00 H +ATOM 575 OG1 THR 38 21.253 39.574 35.196 1.00 0.00 O +ATOM 576 HG1 THR 38 20.495 39.088 34.862 1.00 0.00 H +ATOM 577 C THR 38 21.647 39.071 32.439 1.00 0.00 C +ATOM 578 O THR 38 21.694 38.254 31.541 1.00 0.00 O +ATOM 579 N LYS 39 20.590 39.816 32.620 1.00 0.00 N +ATOM 580 H LYS 39 20.569 40.470 33.349 1.00 0.00 H +ATOM 581 CA LYS 39 19.414 39.670 31.714 1.00 0.00 C +ATOM 582 HA LYS 39 18.838 38.798 31.983 1.00 0.00 H +ATOM 583 CB LYS 39 18.582 40.934 31.932 1.00 0.00 C +ATOM 584 HB2 LYS 39 19.227 41.736 32.260 1.00 0.00 H +ATOM 585 HB3 LYS 39 18.103 41.213 31.006 1.00 0.00 H +ATOM 586 CG LYS 39 17.514 40.668 32.996 1.00 0.00 C +ATOM 587 HG2 LYS 39 16.649 40.217 32.530 1.00 0.00 H +ATOM 588 HG3 LYS 39 17.911 39.999 33.744 1.00 0.00 H +ATOM 589 CD LYS 39 17.111 41.987 33.656 1.00 0.00 C +ATOM 590 HD2 LYS 39 17.195 41.893 34.729 1.00 0.00 H +ATOM 591 HD3 LYS 39 17.762 42.776 33.311 1.00 0.00 H +ATOM 592 CE LYS 39 15.665 42.323 33.282 1.00 0.00 C +ATOM 593 HE2 LYS 39 15.445 41.975 32.283 1.00 0.00 H +ATOM 594 HE3 LYS 39 14.982 41.887 33.993 1.00 0.00 H +ATOM 595 NZ LYS 39 15.588 43.809 33.348 1.00 0.00 N +ATOM 596 HZ1 LYS 39 16.358 44.220 32.778 1.00 0.00 H +ATOM 597 HZ2 LYS 39 14.672 44.126 32.973 1.00 0.00 H +ATOM 598 HZ3 LYS 39 15.683 44.119 34.335 1.00 0.00 H +ATOM 599 C LYS 39 19.879 39.575 30.259 1.00 0.00 C +ATOM 600 O LYS 39 19.258 38.928 29.439 1.00 0.00 O +ATOM 601 N GLU 40 20.970 40.215 29.933 1.00 0.00 N +ATOM 602 H GLU 40 21.457 40.730 30.610 1.00 0.00 H +ATOM 603 CA GLU 40 21.475 40.160 28.531 1.00 0.00 C +ATOM 604 HA GLU 40 20.694 39.838 27.861 1.00 0.00 H +ATOM 605 CB GLU 40 21.887 41.596 28.203 1.00 0.00 C +ATOM 606 HB2 GLU 40 22.229 42.087 29.103 1.00 0.00 H +ATOM 607 HB3 GLU 40 22.684 41.584 27.475 1.00 0.00 H +ATOM 608 CG GLU 40 20.687 42.353 27.630 1.00 0.00 C +ATOM 609 HG2 GLU 40 20.232 41.764 26.847 1.00 0.00 H +ATOM 610 HG3 GLU 40 19.966 42.530 28.413 1.00 0.00 H +ATOM 611 CD GLU 40 21.155 43.692 27.059 1.00 0.00 C +ATOM 612 OE1 GLU 40 22.192 44.167 27.491 1.00 0.00 O +ATOM 613 OE2 GLU 40 20.468 44.220 26.200 1.00 0.00 O +ATOM 614 C GLU 40 22.682 39.221 28.442 1.00 0.00 C +ATOM 615 O GLU 40 23.678 39.533 27.822 1.00 0.00 O +ATOM 616 N LEU 41 22.599 38.074 29.058 1.00 0.00 N +ATOM 617 H LEU 41 21.786 37.840 29.553 1.00 0.00 H +ATOM 618 CA LEU 41 23.743 37.118 29.007 1.00 0.00 C +ATOM 619 HA LEU 41 24.546 37.524 28.414 1.00 0.00 H +ATOM 620 CB LEU 41 24.193 36.960 30.460 1.00 0.00 C +ATOM 621 HB2 LEU 41 24.241 37.933 30.928 1.00 0.00 H +ATOM 622 HB3 LEU 41 23.487 36.340 30.991 1.00 0.00 H +ATOM 623 CG LEU 41 25.575 36.305 30.499 1.00 0.00 C +ATOM 624 HG LEU 41 25.950 36.317 31.511 1.00 0.00 H +ATOM 625 CD1 LEU 41 25.469 34.858 30.013 1.00 0.00 C +ATOM 626 HD11 LEU 41 24.494 34.466 30.260 1.00 0.00 H +ATOM 627 HD12 LEU 41 25.609 34.827 28.941 1.00 0.00 H +ATOM 628 HD13 LEU 41 26.230 34.261 30.492 1.00 0.00 H +ATOM 629 CD2 LEU 41 26.531 37.078 29.588 1.00 0.00 C +ATOM 630 HD21 LEU 41 26.373 38.139 29.719 1.00 0.00 H +ATOM 631 HD22 LEU 41 27.551 36.832 29.845 1.00 0.00 H +ATOM 632 HD23 LEU 41 26.344 36.811 28.559 1.00 0.00 H +ATOM 633 C LEU 41 23.284 35.773 28.437 1.00 0.00 C +ATOM 634 O LEU 41 23.907 35.218 27.553 1.00 0.00 O +ATOM 635 N GLY 42 22.199 35.244 28.934 1.00 0.00 N +ATOM 636 H GLY 42 21.711 35.708 29.647 1.00 0.00 H +ATOM 637 CA GLY 42 21.703 33.937 28.419 1.00 0.00 C +ATOM 638 HA2 GLY 42 22.319 33.139 28.809 1.00 0.00 H +ATOM 639 HA3 GLY 42 20.681 33.791 28.733 1.00 0.00 H +ATOM 640 C GLY 42 21.767 33.931 26.890 1.00 0.00 C +ATOM 641 O GLY 42 22.382 33.073 26.290 1.00 0.00 O +ATOM 642 N LYS 43 21.136 34.881 26.253 1.00 0.00 N +ATOM 643 H LYS 43 20.644 35.565 26.754 1.00 0.00 H +ATOM 644 CA LYS 43 21.165 34.922 24.763 1.00 0.00 C +ATOM 645 HA LYS 43 20.698 34.038 24.357 1.00 0.00 H +ATOM 646 CB LYS 43 20.351 36.163 24.379 1.00 0.00 C +ATOM 647 HB2 LYS 43 20.040 36.083 23.349 1.00 0.00 H +ATOM 648 HB3 LYS 43 19.479 36.229 25.013 1.00 0.00 H +ATOM 649 CG LYS 43 21.200 37.425 24.556 1.00 0.00 C +ATOM 650 HG2 LYS 43 21.450 37.547 25.601 1.00 0.00 H +ATOM 651 HG3 LYS 43 22.107 37.335 23.977 1.00 0.00 H +ATOM 652 CD LYS 43 20.407 38.641 24.074 1.00 0.00 C +ATOM 653 HD2 LYS 43 19.657 38.324 23.365 1.00 0.00 H +ATOM 654 HD3 LYS 43 19.928 39.117 24.918 1.00 0.00 H +ATOM 655 CE LYS 43 21.354 39.638 23.402 1.00 0.00 C +ATOM 656 HE2 LYS 43 22.325 39.614 23.879 1.00 0.00 H +ATOM 657 HE3 LYS 43 21.445 39.421 22.349 1.00 0.00 H +ATOM 658 NZ LYS 43 20.711 40.968 23.595 1.00 0.00 N +ATOM 659 HZ1 LYS 43 19.681 40.844 23.680 1.00 0.00 H +ATOM 660 HZ2 LYS 43 21.079 41.410 24.460 1.00 0.00 H +ATOM 661 HZ3 LYS 43 20.922 41.577 22.780 1.00 0.00 H +ATOM 662 C LYS 43 22.610 35.033 24.266 1.00 0.00 C +ATOM 663 O LYS 43 22.916 34.702 23.138 1.00 0.00 O +ATOM 664 N VAL 44 23.501 35.492 25.102 1.00 0.00 N +ATOM 665 H VAL 44 23.235 35.750 26.009 1.00 0.00 H +ATOM 666 CA VAL 44 24.926 35.616 24.679 1.00 0.00 C +ATOM 667 HA VAL 44 24.990 36.028 23.685 1.00 0.00 H +ATOM 668 CB VAL 44 25.559 36.576 25.686 1.00 0.00 C +ATOM 669 HB VAL 44 25.599 36.104 26.657 1.00 0.00 H +ATOM 670 CG1 VAL 44 26.976 36.930 25.234 1.00 0.00 C +ATOM 671 HG11 VAL 44 27.160 36.501 24.260 1.00 0.00 H +ATOM 672 HG12 VAL 44 27.078 38.004 25.178 1.00 0.00 H +ATOM 673 HG13 VAL 44 27.690 36.536 25.941 1.00 0.00 H +ATOM 674 CG2 VAL 44 24.718 37.851 25.771 1.00 0.00 C +ATOM 675 HG21 VAL 44 24.207 38.009 24.833 1.00 0.00 H +ATOM 676 HG22 VAL 44 23.992 37.752 26.564 1.00 0.00 H +ATOM 677 HG23 VAL 44 25.361 38.694 25.976 1.00 0.00 H +ATOM 678 C VAL 44 25.609 34.247 24.740 1.00 0.00 C +ATOM 679 O VAL 44 26.338 33.864 23.845 1.00 0.00 O +ATOM 680 N MET 45 25.376 33.505 25.786 1.00 0.00 N +ATOM 681 H MET 45 24.782 33.830 26.495 1.00 0.00 H +ATOM 682 CA MET 45 26.006 32.161 25.901 1.00 0.00 C +ATOM 683 HA MET 45 27.068 32.223 25.720 1.00 0.00 H +ATOM 684 CB MET 45 25.744 31.721 27.342 1.00 0.00 C +ATOM 685 HB2 MET 45 24.816 32.153 27.686 1.00 0.00 H +ATOM 686 HB3 MET 45 25.679 30.644 27.384 1.00 0.00 H +ATOM 687 CG MET 45 26.890 32.193 28.238 1.00 0.00 C +ATOM 688 HG2 MET 45 27.395 33.025 27.769 1.00 0.00 H +ATOM 689 HG3 MET 45 26.495 32.505 29.194 1.00 0.00 H +ATOM 690 SD MET 45 28.063 30.835 28.484 1.00 0.00 S +ATOM 691 CE MET 45 29.578 31.811 28.323 1.00 0.00 C +ATOM 692 HE1 MET 45 29.361 32.848 28.536 1.00 0.00 H +ATOM 693 HE2 MET 45 30.316 31.449 29.020 1.00 0.00 H +ATOM 694 HE3 MET 45 29.960 31.716 27.315 1.00 0.00 H +ATOM 695 C MET 45 25.349 31.191 24.917 1.00 0.00 C +ATOM 696 O MET 45 25.887 30.149 24.600 1.00 0.00 O +ATOM 697 N ARG 46 24.185 31.528 24.431 1.00 0.00 N +ATOM 698 H ARG 46 23.769 32.374 24.701 1.00 0.00 H +ATOM 699 CA ARG 46 23.488 30.629 23.468 1.00 0.00 C +ATOM 700 HA ARG 46 23.464 29.619 23.846 1.00 0.00 H +ATOM 701 CB ARG 46 22.067 31.183 23.371 1.00 0.00 C +ATOM 702 HB2 ARG 46 22.023 32.147 23.857 1.00 0.00 H +ATOM 703 HB3 ARG 46 21.793 31.289 22.332 1.00 0.00 H +ATOM 704 CG ARG 46 21.096 30.219 24.056 1.00 0.00 C +ATOM 705 HG2 ARG 46 20.745 29.492 23.338 1.00 0.00 H +ATOM 706 HG3 ARG 46 21.603 29.713 24.864 1.00 0.00 H +ATOM 707 CD ARG 46 19.907 31.003 24.615 1.00 0.00 C +ATOM 708 HD2 ARG 46 20.075 31.250 25.653 1.00 0.00 H +ATOM 709 HD3 ARG 46 19.737 31.896 24.035 1.00 0.00 H +ATOM 710 NE ARG 46 18.745 30.080 24.480 1.00 0.00 N +ATOM 711 HE ARG 46 18.887 29.149 24.210 1.00 0.00 H +ATOM 712 CZ ARG 46 17.537 30.512 24.723 1.00 0.00 C +ATOM 713 NH1 ARG 46 17.361 31.664 25.309 1.00 0.00 N +ATOM 714 HH11 ARG 46 18.151 32.218 25.573 1.00 0.00 H +ATOM 715 HH12 ARG 46 16.436 31.993 25.495 1.00 0.00 H +ATOM 716 NH2 ARG 46 16.506 29.789 24.381 1.00 0.00 N +ATOM 717 HH21 ARG 46 16.641 28.905 23.933 1.00 0.00 H +ATOM 718 HH22 ARG 46 15.581 30.120 24.566 1.00 0.00 H +ATOM 719 C ARG 46 24.179 30.674 22.104 1.00 0.00 C +ATOM 720 O ARG 46 24.468 29.654 21.510 1.00 0.00 O +ATOM 721 N MET 47 24.447 31.848 21.600 1.00 0.00 N +ATOM 722 H MET 47 24.207 32.659 22.094 1.00 0.00 H +ATOM 723 CA MET 47 25.120 31.951 20.273 1.00 0.00 C +ATOM 724 HA MET 47 24.691 31.247 19.578 1.00 0.00 H +ATOM 725 CB MET 47 24.851 33.382 19.801 1.00 0.00 C +ATOM 726 HB2 MET 47 25.102 33.467 18.754 1.00 0.00 H +ATOM 727 HB3 MET 47 23.807 33.616 19.941 1.00 0.00 H +ATOM 728 CG MET 47 25.703 34.359 20.612 1.00 0.00 C +ATOM 729 HG2 MET 47 25.510 34.217 21.665 1.00 0.00 H +ATOM 730 HG3 MET 47 26.748 34.178 20.410 1.00 0.00 H +ATOM 731 SD MET 47 25.285 36.057 20.143 1.00 0.00 S +ATOM 732 CE MET 47 26.812 36.429 19.249 1.00 0.00 C +ATOM 733 HE1 MET 47 27.603 35.780 19.602 1.00 0.00 H +ATOM 734 HE2 MET 47 26.662 36.266 18.194 1.00 0.00 H +ATOM 735 HE3 MET 47 27.085 37.461 19.417 1.00 0.00 H +ATOM 736 C MET 47 26.624 31.707 20.425 1.00 0.00 C +ATOM 737 O MET 47 27.232 31.012 19.636 1.00 0.00 O +ATOM 738 N LEU 48 27.227 32.271 21.437 1.00 0.00 N +ATOM 739 H LEU 48 26.719 32.828 22.064 1.00 0.00 H +ATOM 740 CA LEU 48 28.689 32.068 21.643 1.00 0.00 C +ATOM 741 HA LEU 48 29.257 32.646 20.932 1.00 0.00 H +ATOM 742 CB LEU 48 28.951 32.578 23.060 1.00 0.00 C +ATOM 743 HB2 LEU 48 28.047 32.488 23.645 1.00 0.00 H +ATOM 744 HB3 LEU 48 29.733 31.990 23.514 1.00 0.00 H +ATOM 745 CG LEU 48 29.383 34.047 23.016 1.00 0.00 C +ATOM 746 HG LEU 48 29.285 34.474 24.002 1.00 0.00 H +ATOM 747 CD1 LEU 48 30.841 34.138 22.566 1.00 0.00 C +ATOM 748 HD11 LEU 48 31.433 33.426 23.121 1.00 0.00 H +ATOM 749 HD12 LEU 48 30.907 33.916 21.511 1.00 0.00 H +ATOM 750 HD13 LEU 48 31.213 35.135 22.748 1.00 0.00 H +ATOM 751 CD2 LEU 48 28.498 34.826 22.035 1.00 0.00 C +ATOM 752 HD21 LEU 48 28.488 34.324 21.079 1.00 0.00 H +ATOM 753 HD22 LEU 48 27.492 34.881 22.423 1.00 0.00 H +ATOM 754 HD23 LEU 48 28.891 35.824 21.912 1.00 0.00 H +ATOM 755 C LEU 48 29.043 30.582 21.530 1.00 0.00 C +ATOM 756 O LEU 48 30.147 30.225 21.171 1.00 0.00 O +ATOM 757 N GLY 49 28.116 29.715 21.832 1.00 0.00 N +ATOM 758 H GLY 49 27.231 30.022 22.118 1.00 0.00 H +ATOM 759 CA GLY 49 28.406 28.255 21.737 1.00 0.00 C +ATOM 760 HA2 GLY 49 27.767 27.811 20.986 1.00 0.00 H +ATOM 761 HA3 GLY 49 29.440 28.111 21.461 1.00 0.00 H +ATOM 762 C GLY 49 28.147 27.588 23.089 1.00 0.00 C +ATOM 763 O GLY 49 28.475 26.436 23.295 1.00 0.00 O +ATOM 764 N GLN 50 27.561 28.299 24.013 1.00 0.00 N +ATOM 765 H GLN 50 27.302 29.227 23.828 1.00 0.00 H +ATOM 766 CA GLN 50 27.282 27.697 25.349 1.00 0.00 C +ATOM 767 HA GLN 50 27.784 26.748 25.448 1.00 0.00 H +ATOM 768 CB GLN 50 27.848 28.694 26.362 1.00 0.00 C +ATOM 769 HB2 GLN 50 27.605 29.701 26.052 1.00 0.00 H +ATOM 770 HB3 GLN 50 27.416 28.504 27.334 1.00 0.00 H +ATOM 771 CG GLN 50 29.368 28.537 26.444 1.00 0.00 C +ATOM 772 HG2 GLN 50 29.703 28.793 27.439 1.00 0.00 H +ATOM 773 HG3 GLN 50 29.637 27.515 26.225 1.00 0.00 H +ATOM 774 CD GLN 50 30.034 29.466 25.427 1.00 0.00 C +ATOM 775 OE1 GLN 50 29.375 30.270 24.798 1.00 0.00 O +ATOM 776 NE2 GLN 50 31.323 29.391 25.239 1.00 0.00 N +ATOM 777 HE21 GLN 50 31.855 28.744 25.746 1.00 0.00 H +ATOM 778 HE22 GLN 50 31.759 29.982 24.589 1.00 0.00 H +ATOM 779 C GLN 50 25.773 27.530 25.549 1.00 0.00 C +ATOM 780 O GLN 50 24.976 28.004 24.764 1.00 0.00 O +ATOM 781 N ASN 51 25.377 26.860 26.596 1.00 0.00 N +ATOM 782 H ASN 51 26.038 26.487 27.217 1.00 0.00 H +ATOM 783 CA ASN 51 23.922 26.660 26.852 1.00 0.00 C +ATOM 784 HA ASN 51 23.347 27.456 26.403 1.00 0.00 H +ATOM 785 CB ASN 51 23.580 25.326 26.185 1.00 0.00 C +ATOM 786 HB2 ASN 51 22.586 25.022 26.479 1.00 0.00 H +ATOM 787 HB3 ASN 51 23.619 25.441 25.111 1.00 0.00 H +ATOM 788 CG ASN 51 24.590 24.263 26.619 1.00 0.00 C +ATOM 789 OD1 ASN 51 25.310 24.449 27.579 1.00 0.00 O +ATOM 790 ND2 ASN 51 24.673 23.147 25.948 1.00 0.00 N +ATOM 791 HD21 ASN 51 24.091 22.996 25.174 1.00 0.00 H +ATOM 792 HD22 ASN 51 25.317 22.460 26.219 1.00 0.00 H +ATOM 793 C ASN 51 23.660 26.589 28.358 1.00 0.00 C +ATOM 794 O ASN 51 23.195 25.586 28.862 1.00 0.00 O +ATOM 795 N PRO 52 23.974 27.665 29.027 1.00 0.00 N +ATOM 796 CD PRO 52 24.536 28.906 28.482 1.00 0.00 C +ATOM 797 HD2 PRO 52 23.899 29.305 27.705 1.00 0.00 H +ATOM 798 HD3 PRO 52 25.532 28.729 28.107 1.00 0.00 H +ATOM 799 CG PRO 52 24.573 29.840 29.665 1.00 0.00 C +ATOM 800 HG2 PRO 52 23.712 30.494 29.648 1.00 0.00 H +ATOM 801 HG3 PRO 52 25.481 30.422 29.639 1.00 0.00 H +ATOM 802 CB PRO 52 24.544 28.993 30.897 1.00 0.00 C +ATOM 803 HB2 PRO 52 24.027 29.506 31.698 1.00 0.00 H +ATOM 804 HB3 PRO 52 25.550 28.742 31.195 1.00 0.00 H +ATOM 805 CA PRO 52 23.779 27.736 30.495 1.00 0.00 C +ATOM 806 HA PRO 52 24.203 26.872 30.980 1.00 0.00 H +ATOM 807 C PRO 52 22.292 27.875 30.834 1.00 0.00 C +ATOM 808 O PRO 52 21.560 28.590 30.179 1.00 0.00 O +ATOM 809 N THR 53 21.843 27.198 31.855 1.00 0.00 N +ATOM 810 H THR 53 22.451 26.630 32.372 1.00 0.00 H +ATOM 811 CA THR 53 20.405 27.293 32.238 1.00 0.00 C +ATOM 812 HA THR 53 19.775 27.005 31.411 1.00 0.00 H +ATOM 813 CB THR 53 20.232 26.308 33.396 1.00 0.00 C +ATOM 814 HB THR 53 19.678 26.781 34.192 1.00 0.00 H +ATOM 815 CG2 THR 53 19.465 25.077 32.911 1.00 0.00 C +ATOM 816 HG21 THR 53 18.509 25.383 32.512 1.00 0.00 H +ATOM 817 HG22 THR 53 20.036 24.579 32.140 1.00 0.00 H +ATOM 818 HG23 THR 53 19.311 24.401 33.739 1.00 0.00 H +ATOM 819 OG1 THR 53 21.510 25.913 33.879 1.00 0.00 O +ATOM 820 HG1 THR 53 21.377 25.258 34.568 1.00 0.00 H +ATOM 821 C THR 53 20.075 28.717 32.694 1.00 0.00 C +ATOM 822 O THR 53 20.943 29.562 32.763 1.00 0.00 O +ATOM 823 N PRO 54 18.823 28.930 32.993 1.00 0.00 N +ATOM 824 CD PRO 54 17.724 27.959 32.934 1.00 0.00 C +ATOM 825 HD2 PRO 54 17.965 27.071 33.505 1.00 0.00 H +ATOM 826 HD3 PRO 54 17.505 27.706 31.909 1.00 0.00 H +ATOM 827 CG PRO 54 16.564 28.688 33.562 1.00 0.00 C +ATOM 828 HG2 PRO 54 16.480 28.425 34.607 1.00 0.00 H +ATOM 829 HG3 PRO 54 15.652 28.435 33.042 1.00 0.00 H +ATOM 830 CB PRO 54 16.843 30.150 33.426 1.00 0.00 C +ATOM 831 HB2 PRO 54 16.412 30.697 34.252 1.00 0.00 H +ATOM 832 HB3 PRO 54 16.455 30.515 32.488 1.00 0.00 H +ATOM 833 CA PRO 54 18.365 30.265 33.452 1.00 0.00 C +ATOM 834 HA PRO 54 18.691 31.034 32.771 1.00 0.00 H +ATOM 835 C PRO 54 18.873 30.541 34.870 1.00 0.00 C +ATOM 836 O PRO 54 19.237 31.652 35.205 1.00 0.00 O +ATOM 837 N GLU 55 18.906 29.537 35.704 1.00 0.00 N +ATOM 838 H GLU 55 18.612 28.649 35.413 1.00 0.00 H +ATOM 839 CA GLU 55 19.396 29.741 37.097 1.00 0.00 C +ATOM 840 HA GLU 55 18.936 30.613 37.536 1.00 0.00 H +ATOM 841 CB GLU 55 18.968 28.485 37.855 1.00 0.00 C +ATOM 842 HB2 GLU 55 18.446 27.819 37.183 1.00 0.00 H +ATOM 843 HB3 GLU 55 19.841 27.986 38.249 1.00 0.00 H +ATOM 844 CG GLU 55 18.042 28.873 39.010 1.00 0.00 C +ATOM 845 HG2 GLU 55 18.502 29.660 39.591 1.00 0.00 H +ATOM 846 HG3 GLU 55 17.100 29.223 38.615 1.00 0.00 H +ATOM 847 CD GLU 55 17.798 27.655 39.903 1.00 0.00 C +ATOM 848 OE1 GLU 55 18.570 27.456 40.825 1.00 0.00 O +ATOM 849 OE2 GLU 55 16.840 26.942 39.649 1.00 0.00 O +ATOM 850 C GLU 55 20.921 29.878 37.100 1.00 0.00 C +ATOM 851 O GLU 55 21.496 30.515 37.961 1.00 0.00 O +ATOM 852 N GLU 56 21.578 29.286 36.140 1.00 0.00 N +ATOM 853 H GLU 56 21.093 28.779 35.456 1.00 0.00 H +ATOM 854 CA GLU 56 23.064 29.381 36.082 1.00 0.00 C +ATOM 855 HA GLU 56 23.502 29.070 37.017 1.00 0.00 H +ATOM 856 CB GLU 56 23.478 28.421 34.965 1.00 0.00 C +ATOM 857 HB2 GLU 56 22.654 28.294 34.276 1.00 0.00 H +ATOM 858 HB3 GLU 56 24.328 28.826 34.438 1.00 0.00 H +ATOM 859 CG GLU 56 23.853 27.066 35.567 1.00 0.00 C +ATOM 860 HG2 GLU 56 24.512 27.218 36.410 1.00 0.00 H +ATOM 861 HG3 GLU 56 22.959 26.559 35.896 1.00 0.00 H +ATOM 862 CD GLU 56 24.560 26.216 34.510 1.00 0.00 C +ATOM 863 OE1 GLU 56 23.929 25.898 33.516 1.00 0.00 O +ATOM 864 OE2 GLU 56 25.720 25.898 34.713 1.00 0.00 O +ATOM 865 C GLU 56 23.485 30.813 35.740 1.00 0.00 C +ATOM 866 O GLU 56 24.497 31.302 36.205 1.00 0.00 O +ATOM 867 N LEU 57 22.716 31.488 34.929 1.00 0.00 N +ATOM 868 H LEU 57 21.906 31.073 34.566 1.00 0.00 H +ATOM 869 CA LEU 57 23.070 32.888 34.555 1.00 0.00 C +ATOM 870 HA LEU 57 23.909 32.896 33.878 1.00 0.00 H +ATOM 871 CB LEU 57 21.826 33.432 33.851 1.00 0.00 C +ATOM 872 HB2 LEU 57 20.971 32.826 34.114 1.00 0.00 H +ATOM 873 HB3 LEU 57 21.654 34.451 34.160 1.00 0.00 H +ATOM 874 CG LEU 57 22.037 33.390 32.336 1.00 0.00 C +ATOM 875 HG LEU 57 22.897 33.991 32.076 1.00 0.00 H +ATOM 876 CD1 LEU 57 22.272 31.945 31.893 1.00 0.00 C +ATOM 877 HD11 LEU 57 22.943 31.459 32.585 1.00 0.00 H +ATOM 878 HD12 LEU 57 21.330 31.418 31.874 1.00 0.00 H +ATOM 879 HD13 LEU 57 22.708 31.937 30.905 1.00 0.00 H +ATOM 880 CD2 LEU 57 20.794 33.939 31.633 1.00 0.00 C +ATOM 881 HD21 LEU 57 19.909 33.533 32.098 1.00 0.00 H +ATOM 882 HD22 LEU 57 20.782 35.016 31.712 1.00 0.00 H +ATOM 883 HD23 LEU 57 20.816 33.654 30.591 1.00 0.00 H +ATOM 884 C LEU 57 23.384 33.709 35.808 1.00 0.00 C +ATOM 885 O LEU 57 24.513 34.090 36.043 1.00 0.00 O +ATOM 886 N GLN 58 22.396 33.985 36.616 1.00 0.00 N +ATOM 887 H GLN 58 21.492 33.670 36.409 1.00 0.00 H +ATOM 888 CA GLN 58 22.644 34.783 37.852 1.00 0.00 C +ATOM 889 HA GLN 58 23.035 35.755 37.599 1.00 0.00 H +ATOM 890 CB GLN 58 21.267 34.925 38.512 1.00 0.00 C +ATOM 891 HB2 GLN 58 20.722 35.723 38.031 1.00 0.00 H +ATOM 892 HB3 GLN 58 20.722 33.999 38.401 1.00 0.00 H +ATOM 893 CG GLN 58 21.425 35.244 40.003 1.00 0.00 C +ATOM 894 HG2 GLN 58 20.476 35.574 40.401 1.00 0.00 H +ATOM 895 HG3 GLN 58 21.744 34.355 40.528 1.00 0.00 H +ATOM 896 CD GLN 58 22.469 36.347 40.192 1.00 0.00 C +ATOM 897 OE1 GLN 58 23.108 36.422 41.221 1.00 0.00 O +ATOM 898 NE2 GLN 58 22.665 37.217 39.241 1.00 0.00 N +ATOM 899 HE21 GLN 58 22.145 37.164 38.412 1.00 0.00 H +ATOM 900 HE22 GLN 58 23.337 37.923 39.355 1.00 0.00 H +ATOM 901 C GLN 58 23.620 34.037 38.769 1.00 0.00 C +ATOM 902 O GLN 58 24.533 34.618 39.321 1.00 0.00 O +ATOM 903 N GLU 59 23.435 32.756 38.932 1.00 0.00 N +ATOM 904 H GLU 59 22.693 32.306 38.477 1.00 0.00 H +ATOM 905 CA GLU 59 24.353 31.977 39.812 1.00 0.00 C +ATOM 906 HA GLU 59 24.225 32.269 40.843 1.00 0.00 H +ATOM 907 CB GLU 59 23.935 30.518 39.629 1.00 0.00 C +ATOM 908 HB2 GLU 59 22.858 30.442 39.685 1.00 0.00 H +ATOM 909 HB3 GLU 59 24.273 30.164 38.667 1.00 0.00 H +ATOM 910 CG GLU 59 24.565 29.666 40.733 1.00 0.00 C +ATOM 911 HG2 GLU 59 24.880 30.306 41.544 1.00 0.00 H +ATOM 912 HG3 GLU 59 23.841 28.953 41.096 1.00 0.00 H +ATOM 913 CD GLU 59 25.776 28.918 40.171 1.00 0.00 C +ATOM 914 OE1 GLU 59 25.885 28.834 38.959 1.00 0.00 O +ATOM 915 OE2 GLU 59 26.574 28.445 40.963 1.00 0.00 O +ATOM 916 C GLU 59 25.807 32.177 39.378 1.00 0.00 C +ATOM 917 O GLU 59 26.653 32.550 40.165 1.00 0.00 O +ATOM 918 N MET 60 26.106 31.931 38.131 1.00 0.00 N +ATOM 919 H MET 60 25.410 31.630 37.510 1.00 0.00 H +ATOM 920 CA MET 60 27.507 32.108 37.654 1.00 0.00 C +ATOM 921 HA MET 60 28.188 31.536 38.264 1.00 0.00 H +ATOM 922 CB MET 60 27.511 31.566 36.223 1.00 0.00 C +ATOM 923 HB2 MET 60 26.952 30.642 36.187 1.00 0.00 H +ATOM 924 HB3 MET 60 27.055 32.289 35.563 1.00 0.00 H +ATOM 925 CG MET 60 28.951 31.310 35.779 1.00 0.00 C +ATOM 926 HG2 MET 60 29.028 31.443 34.711 1.00 0.00 H +ATOM 927 HG3 MET 60 29.611 32.005 36.277 1.00 0.00 H +ATOM 928 SD MET 60 29.422 29.617 36.211 1.00 0.00 S +ATOM 929 CE MET 60 31.185 29.767 35.834 1.00 0.00 C +ATOM 930 HE1 MET 60 31.428 30.807 35.664 1.00 0.00 H +ATOM 931 HE2 MET 60 31.765 29.396 36.663 1.00 0.00 H +ATOM 932 HE3 MET 60 31.414 29.189 34.949 1.00 0.00 H +ATOM 933 C MET 60 27.890 33.590 37.671 1.00 0.00 C +ATOM 934 O MET 60 29.052 33.939 37.727 1.00 0.00 O +ATOM 935 N ILE 61 26.922 34.464 37.625 1.00 0.00 N +ATOM 936 H ILE 61 25.990 34.162 37.582 1.00 0.00 H +ATOM 937 CA ILE 61 27.233 35.923 37.642 1.00 0.00 C +ATOM 938 HA ILE 61 28.200 36.108 37.200 1.00 0.00 H +ATOM 939 CB ILE 61 26.137 36.573 36.798 1.00 0.00 C +ATOM 940 HB ILE 61 25.172 36.216 37.126 1.00 0.00 H +ATOM 941 CG2 ILE 61 26.199 38.093 36.962 1.00 0.00 C +ATOM 942 HG21 ILE 61 27.210 38.388 37.198 1.00 0.00 H +ATOM 943 HG22 ILE 61 25.890 38.566 36.041 1.00 0.00 H +ATOM 944 HG23 ILE 61 25.539 38.396 37.761 1.00 0.00 H +ATOM 945 CG1 ILE 61 26.344 36.212 35.326 1.00 0.00 C +ATOM 946 HG12 ILE 61 27.075 36.880 34.891 1.00 0.00 H +ATOM 947 HG13 ILE 61 26.697 35.195 35.250 1.00 0.00 H +ATOM 948 CD1 ILE 61 25.018 36.348 34.577 1.00 0.00 C +ATOM 949 HD11 ILE 61 24.202 36.331 35.285 1.00 0.00 H +ATOM 950 HD12 ILE 61 25.004 37.282 34.035 1.00 0.00 H +ATOM 951 HD13 ILE 61 24.909 35.528 33.884 1.00 0.00 H +ATOM 952 C ILE 61 27.188 36.454 39.077 1.00 0.00 C +ATOM 953 O ILE 61 27.485 37.603 39.334 1.00 0.00 O +ATOM 954 N ASP 62 26.811 35.626 40.013 1.00 0.00 N +ATOM 955 H ASP 62 26.571 34.704 39.786 1.00 0.00 H +ATOM 956 CA ASP 62 26.740 36.086 41.430 1.00 0.00 C +ATOM 957 HA ASP 62 26.521 37.141 41.473 1.00 0.00 H +ATOM 958 CB ASP 62 25.588 35.291 42.045 1.00 0.00 C +ATOM 959 HB2 ASP 62 24.795 35.190 41.321 1.00 0.00 H +ATOM 960 HB3 ASP 62 25.941 34.312 42.332 1.00 0.00 H +ATOM 961 CG ASP 62 25.065 36.023 43.282 1.00 0.00 C +ATOM 962 OD1 ASP 62 25.295 37.217 43.381 1.00 0.00 O +ATOM 963 OD2 ASP 62 24.444 35.376 44.109 1.00 0.00 O +ATOM 964 C ASP 62 28.049 35.776 42.163 1.00 0.00 C +ATOM 965 O ASP 62 28.268 36.222 43.272 1.00 0.00 O +ATOM 966 N GLU 63 28.916 35.011 41.559 1.00 0.00 N +ATOM 967 H GLU 63 28.721 34.654 40.667 1.00 0.00 H +ATOM 968 CA GLU 63 30.203 34.671 42.235 1.00 0.00 C +ATOM 969 HA GLU 63 30.147 34.900 43.288 1.00 0.00 H +ATOM 970 CB GLU 63 30.367 33.165 42.039 1.00 0.00 C +ATOM 971 HB2 GLU 63 30.517 32.953 40.990 1.00 0.00 H +ATOM 972 HB3 GLU 63 31.221 32.819 42.602 1.00 0.00 H +ATOM 973 CG GLU 63 29.111 32.445 42.530 1.00 0.00 C +ATOM 974 HG2 GLU 63 28.292 33.148 42.588 1.00 0.00 H +ATOM 975 HG3 GLU 63 28.858 31.652 41.843 1.00 0.00 H +ATOM 976 CD GLU 63 29.373 31.851 43.915 1.00 0.00 C +ATOM 977 OE1 GLU 63 29.921 32.554 44.746 1.00 0.00 O +ATOM 978 OE2 GLU 63 29.019 30.700 44.121 1.00 0.00 O +ATOM 979 C GLU 63 31.368 35.424 41.586 1.00 0.00 C +ATOM 980 O GLU 63 32.200 35.996 42.261 1.00 0.00 O +ATOM 981 N VAL 64 31.439 35.422 40.284 1.00 0.00 N +ATOM 982 H VAL 64 30.761 34.951 39.755 1.00 0.00 H +ATOM 983 CA VAL 64 32.557 36.133 39.600 1.00 0.00 C +ATOM 984 HA VAL 64 33.504 35.817 40.007 1.00 0.00 H +ATOM 985 CB VAL 64 32.456 35.710 38.132 1.00 0.00 C +ATOM 986 HB VAL 64 32.234 34.654 38.080 1.00 0.00 H +ATOM 987 CG1 VAL 64 31.340 36.495 37.437 1.00 0.00 C +ATOM 988 HG11 VAL 64 30.780 37.054 38.171 1.00 0.00 H +ATOM 989 HG12 VAL 64 31.773 37.177 36.719 1.00 0.00 H +ATOM 990 HG13 VAL 64 30.680 35.809 36.928 1.00 0.00 H +ATOM 991 CG2 VAL 64 33.786 35.988 37.430 1.00 0.00 C +ATOM 992 HG21 VAL 64 34.593 35.910 38.145 1.00 0.00 H +ATOM 993 HG22 VAL 64 33.934 35.266 36.640 1.00 0.00 H +ATOM 994 HG23 VAL 64 33.772 36.983 37.012 1.00 0.00 H +ATOM 995 C VAL 64 32.396 37.650 39.749 1.00 0.00 C +ATOM 996 O VAL 64 33.324 38.405 39.537 1.00 0.00 O +ATOM 997 N ASP 65 31.227 38.101 40.113 1.00 0.00 N +ATOM 998 H ASP 65 30.490 37.477 40.279 1.00 0.00 H +ATOM 999 CA ASP 65 31.013 39.569 40.273 1.00 0.00 C +ATOM 1000 HA ASP 65 31.316 40.094 39.381 1.00 0.00 H +ATOM 1001 CB ASP 65 29.509 39.731 40.489 1.00 0.00 C +ATOM 1002 HB2 ASP 65 28.981 38.966 39.938 1.00 0.00 H +ATOM 1003 HB3 ASP 65 29.283 39.637 41.541 1.00 0.00 H +ATOM 1004 CG ASP 65 29.069 41.112 39.998 1.00 0.00 C +ATOM 1005 OD1 ASP 65 29.849 41.749 39.309 1.00 0.00 O +ATOM 1006 OD2 ASP 65 27.961 41.508 40.319 1.00 0.00 O +ATOM 1007 C ASP 65 31.789 40.085 41.488 1.00 0.00 C +ATOM 1008 O ASP 65 31.432 39.829 42.621 1.00 0.00 O +ATOM 1009 N GLU 66 32.849 40.812 41.261 1.00 0.00 N +ATOM 1010 H GLU 66 33.121 41.007 40.339 1.00 0.00 H +ATOM 1011 CA GLU 66 33.647 41.342 42.403 1.00 0.00 C +ATOM 1012 HA GLU 66 33.558 40.694 43.259 1.00 0.00 H +ATOM 1013 CB GLU 66 35.092 41.353 41.904 1.00 0.00 C +ATOM 1014 HB2 GLU 66 35.134 41.829 40.934 1.00 0.00 H +ATOM 1015 HB3 GLU 66 35.711 41.897 42.601 1.00 0.00 H +ATOM 1016 CG GLU 66 35.601 39.914 41.788 1.00 0.00 C +ATOM 1017 HG2 GLU 66 35.970 39.585 42.748 1.00 0.00 H +ATOM 1018 HG3 GLU 66 34.793 39.270 41.474 1.00 0.00 H +ATOM 1019 CD GLU 66 36.730 39.853 40.757 1.00 0.00 C +ATOM 1020 OE1 GLU 66 37.712 40.553 40.941 1.00 0.00 O +ATOM 1021 OE2 GLU 66 36.592 39.108 39.801 1.00 0.00 O +ATOM 1022 C GLU 66 33.190 42.761 42.756 1.00 0.00 C +ATOM 1023 O GLU 66 33.208 43.161 43.903 1.00 0.00 O +ATOM 1024 N ASP 67 32.778 43.524 41.781 1.00 0.00 N +ATOM 1025 H ASP 67 32.769 43.183 40.862 1.00 0.00 H +ATOM 1026 CA ASP 67 32.319 44.914 42.065 1.00 0.00 C +ATOM 1027 HA ASP 67 33.056 45.443 42.648 1.00 0.00 H +ATOM 1028 CB ASP 67 32.168 45.571 40.693 1.00 0.00 C +ATOM 1029 HB2 ASP 67 31.747 46.558 40.812 1.00 0.00 H +ATOM 1030 HB3 ASP 67 33.136 45.647 40.221 1.00 0.00 H +ATOM 1031 CG ASP 67 31.244 44.721 39.820 1.00 0.00 C +ATOM 1032 OD1 ASP 67 30.648 43.797 40.347 1.00 0.00 O +ATOM 1033 OD2 ASP 67 31.147 45.010 38.639 1.00 0.00 O +ATOM 1034 C ASP 67 30.976 44.887 42.796 1.00 0.00 C +ATOM 1035 O ASP 67 30.512 45.890 43.301 1.00 0.00 O +ATOM 1036 N GLY 68 30.348 43.744 42.858 1.00 0.00 N +ATOM 1037 H GLY 68 30.739 42.947 42.444 1.00 0.00 H +ATOM 1038 CA GLY 68 29.034 43.653 43.556 1.00 0.00 C +ATOM 1039 HA2 GLY 68 28.701 42.625 43.560 1.00 0.00 H +ATOM 1040 HA3 GLY 68 29.141 44.002 44.571 1.00 0.00 H +ATOM 1041 C GLY 68 28.009 44.524 42.828 1.00 0.00 C +ATOM 1042 O GLY 68 26.945 44.808 43.341 1.00 0.00 O +ATOM 1043 N SER 69 28.322 44.949 41.634 1.00 0.00 N +ATOM 1044 H SER 69 29.186 44.708 41.239 1.00 0.00 H +ATOM 1045 CA SER 69 27.367 45.803 40.871 1.00 0.00 C +ATOM 1046 HA SER 69 26.956 46.570 41.506 1.00 0.00 H +ATOM 1047 CB SER 69 28.205 46.436 39.761 1.00 0.00 C +ATOM 1048 HB2 SER 69 27.711 47.318 39.393 1.00 0.00 H +ATOM 1049 HB3 SER 69 29.175 46.707 40.155 1.00 0.00 H +ATOM 1050 OG SER 69 28.353 45.505 38.697 1.00 0.00 O +ATOM 1051 HG SER 69 28.696 44.687 39.064 1.00 0.00 H +ATOM 1052 C SER 69 26.248 44.945 40.274 1.00 0.00 C +ATOM 1053 O SER 69 25.146 45.408 40.056 1.00 0.00 O +ATOM 1054 N GLY 70 26.522 43.698 40.009 1.00 0.00 N +ATOM 1055 H GLY 70 27.417 43.343 40.191 1.00 0.00 H +ATOM 1056 CA GLY 70 25.475 42.812 39.427 1.00 0.00 C +ATOM 1057 HA2 GLY 70 25.552 41.828 39.866 1.00 0.00 H +ATOM 1058 HA3 GLY 70 24.499 43.225 39.636 1.00 0.00 H +ATOM 1059 C GLY 70 25.668 42.715 37.913 1.00 0.00 C +ATOM 1060 O GLY 70 25.214 41.783 37.278 1.00 0.00 O +ATOM 1061 N THR 71 26.337 43.670 37.328 1.00 0.00 N +ATOM 1062 H THR 71 26.694 44.414 37.857 1.00 0.00 H +ATOM 1063 CA THR 71 26.557 43.630 35.853 1.00 0.00 C +ATOM 1064 HA THR 71 25.718 43.168 35.359 1.00 0.00 H +ATOM 1065 CB THR 71 26.673 45.095 35.429 1.00 0.00 C +ATOM 1066 HB THR 71 27.192 45.157 34.485 1.00 0.00 H +ATOM 1067 CG2 THR 71 25.274 45.696 35.275 1.00 0.00 C +ATOM 1068 HG21 THR 71 24.533 44.936 35.471 1.00 0.00 H +ATOM 1069 HG22 THR 71 25.153 46.506 35.979 1.00 0.00 H +ATOM 1070 HG23 THR 71 25.152 46.069 34.269 1.00 0.00 H +ATOM 1071 OG1 THR 71 27.396 45.817 36.416 1.00 0.00 O +ATOM 1072 HG1 THR 71 28.080 45.240 36.763 1.00 0.00 H +ATOM 1073 C THR 71 27.851 42.877 35.531 1.00 0.00 C +ATOM 1074 O THR 71 28.680 42.651 36.391 1.00 0.00 O +ATOM 1075 N VAL 72 28.027 42.485 34.299 1.00 0.00 N +ATOM 1076 H VAL 72 27.347 42.674 33.622 1.00 0.00 H +ATOM 1077 CA VAL 72 29.264 41.747 33.920 1.00 0.00 C +ATOM 1078 HA VAL 72 29.854 41.524 34.795 1.00 0.00 H +ATOM 1079 CB VAL 72 28.769 40.451 33.278 1.00 0.00 C +ATOM 1080 HB VAL 72 28.432 40.654 32.270 1.00 0.00 H +ATOM 1081 CG1 VAL 72 29.911 39.439 33.237 1.00 0.00 C +ATOM 1082 HG11 VAL 72 30.854 39.962 33.262 1.00 0.00 H +ATOM 1083 HG12 VAL 72 29.839 38.782 34.091 1.00 0.00 H +ATOM 1084 HG13 VAL 72 29.845 38.857 32.330 1.00 0.00 H +ATOM 1085 CG2 VAL 72 27.612 39.875 34.100 1.00 0.00 C +ATOM 1086 HG21 VAL 72 27.862 39.917 35.150 1.00 0.00 H +ATOM 1087 HG22 VAL 72 26.718 40.454 33.919 1.00 0.00 H +ATOM 1088 HG23 VAL 72 27.440 38.849 33.812 1.00 0.00 H +ATOM 1089 C VAL 72 30.079 42.567 32.915 1.00 0.00 C +ATOM 1090 O VAL 72 29.789 42.588 31.736 1.00 0.00 O +ATOM 1091 N ASP 73 31.098 43.244 33.374 1.00 0.00 N +ATOM 1092 H ASP 73 31.316 43.214 34.330 1.00 0.00 H +ATOM 1093 CA ASP 73 31.930 44.062 32.444 1.00 0.00 C +ATOM 1094 HA ASP 73 31.325 44.456 31.644 1.00 0.00 H +ATOM 1095 CB ASP 73 32.475 45.207 33.300 1.00 0.00 C +ATOM 1096 HB2 ASP 73 31.652 45.781 33.698 1.00 0.00 H +ATOM 1097 HB3 ASP 73 33.060 44.802 34.112 1.00 0.00 H +ATOM 1098 CG ASP 73 33.361 46.110 32.438 1.00 0.00 C +ATOM 1099 OD1 ASP 73 32.821 46.994 31.793 1.00 0.00 O +ATOM 1100 OD2 ASP 73 34.563 45.903 32.438 1.00 0.00 O +ATOM 1101 C ASP 73 33.079 43.220 31.883 1.00 0.00 C +ATOM 1102 O ASP 73 33.333 42.120 32.332 1.00 0.00 O +ATOM 1103 N PHE 74 33.776 43.729 30.904 1.00 0.00 N +ATOM 1104 H PHE 74 33.556 44.618 30.554 1.00 0.00 H +ATOM 1105 CA PHE 74 34.909 42.956 30.316 1.00 0.00 C +ATOM 1106 HA PHE 74 34.539 42.198 29.644 1.00 0.00 H +ATOM 1107 CB PHE 74 35.734 43.984 29.542 1.00 0.00 C +ATOM 1108 HB2 PHE 74 35.075 44.720 29.104 1.00 0.00 H +ATOM 1109 HB3 PHE 74 36.424 44.473 30.214 1.00 0.00 H +ATOM 1110 CG PHE 74 36.508 43.286 28.450 1.00 0.00 C +ATOM 1111 CD1 PHE 74 35.863 42.367 27.613 1.00 0.00 C +ATOM 1112 HD1 PHE 74 34.812 42.160 27.747 1.00 0.00 H +ATOM 1113 CE1 PHE 74 36.581 41.717 26.601 1.00 0.00 C +ATOM 1114 HE1 PHE 74 36.083 41.009 25.955 1.00 0.00 H +ATOM 1115 CZ PHE 74 37.943 41.987 26.426 1.00 0.00 C +ATOM 1116 HZ PHE 74 38.497 41.486 25.646 1.00 0.00 H +ATOM 1117 CE2 PHE 74 38.588 42.905 27.264 1.00 0.00 C +ATOM 1118 HE2 PHE 74 39.639 43.113 27.129 1.00 0.00 H +ATOM 1119 CD2 PHE 74 37.872 43.554 28.276 1.00 0.00 C +ATOM 1120 HD2 PHE 74 38.369 44.263 28.920 1.00 0.00 H +ATOM 1121 C PHE 74 35.747 42.324 31.431 1.00 0.00 C +ATOM 1122 O PHE 74 36.359 41.290 31.249 1.00 0.00 O +ATOM 1123 N ASP 75 35.774 42.934 32.583 1.00 0.00 N +ATOM 1124 H ASP 75 35.272 43.765 32.711 1.00 0.00 H +ATOM 1125 CA ASP 75 36.570 42.364 33.707 1.00 0.00 C +ATOM 1126 HA ASP 75 37.597 42.223 33.410 1.00 0.00 H +ATOM 1127 CB ASP 75 36.486 43.408 34.822 1.00 0.00 C +ATOM 1128 HB2 ASP 75 35.497 43.391 35.256 1.00 0.00 H +ATOM 1129 HB3 ASP 75 37.218 43.182 35.583 1.00 0.00 H +ATOM 1130 CG ASP 75 36.767 44.796 34.244 1.00 0.00 C +ATOM 1131 OD1 ASP 75 37.233 44.863 33.118 1.00 0.00 O +ATOM 1132 OD2 ASP 75 36.512 45.767 34.936 1.00 0.00 O +ATOM 1133 C ASP 75 35.955 41.038 34.165 1.00 0.00 C +ATOM 1134 O ASP 75 36.568 39.993 34.069 1.00 0.00 O +ATOM 1135 N GLU 76 34.748 41.075 34.658 1.00 0.00 N +ATOM 1136 H GLU 76 34.270 41.928 34.723 1.00 0.00 H +ATOM 1137 CA GLU 76 34.091 39.817 35.117 1.00 0.00 C +ATOM 1138 HA GLU 76 34.772 39.230 35.712 1.00 0.00 H +ATOM 1139 CB GLU 76 32.910 40.275 35.972 1.00 0.00 C +ATOM 1140 HB2 GLU 76 32.191 40.785 35.347 1.00 0.00 H +ATOM 1141 HB3 GLU 76 32.442 39.416 36.430 1.00 0.00 H +ATOM 1142 CG GLU 76 33.404 41.226 37.064 1.00 0.00 C +ATOM 1143 HG2 GLU 76 33.680 40.656 37.939 1.00 0.00 H +ATOM 1144 HG3 GLU 76 34.264 41.772 36.703 1.00 0.00 H +ATOM 1145 CD GLU 76 32.292 42.213 37.425 1.00 0.00 C +ATOM 1146 OE1 GLU 76 31.365 42.343 36.641 1.00 0.00 O +ATOM 1147 OE2 GLU 76 32.384 42.820 38.478 1.00 0.00 O +ATOM 1148 C GLU 76 33.599 39.011 33.912 1.00 0.00 C +ATOM 1149 O GLU 76 33.672 37.799 33.892 1.00 0.00 O +ATOM 1150 N PHE 77 33.099 39.675 32.907 1.00 0.00 N +ATOM 1151 H PHE 77 33.050 40.655 32.941 1.00 0.00 H +ATOM 1152 CA PHE 77 32.605 38.946 31.704 1.00 0.00 C +ATOM 1153 HA PHE 77 31.636 38.512 31.898 1.00 0.00 H +ATOM 1154 CB PHE 77 32.492 40.010 30.611 1.00 0.00 C +ATOM 1155 HB2 PHE 77 31.786 40.768 30.918 1.00 0.00 H +ATOM 1156 HB3 PHE 77 33.458 40.461 30.447 1.00 0.00 H +ATOM 1157 CG PHE 77 32.016 39.365 29.331 1.00 0.00 C +ATOM 1158 CD1 PHE 77 30.775 38.718 29.293 1.00 0.00 C +ATOM 1159 HD1 PHE 77 30.159 38.679 30.178 1.00 0.00 H +ATOM 1160 CE1 PHE 77 30.334 38.120 28.106 1.00 0.00 C +ATOM 1161 HE1 PHE 77 29.377 37.620 28.077 1.00 0.00 H +ATOM 1162 CZ PHE 77 31.134 38.170 26.958 1.00 0.00 C +ATOM 1163 HZ PHE 77 30.793 37.709 26.043 1.00 0.00 H +ATOM 1164 CE2 PHE 77 32.375 38.817 26.997 1.00 0.00 C +ATOM 1165 HE2 PHE 77 32.991 38.856 26.111 1.00 0.00 H +ATOM 1166 CD2 PHE 77 32.816 39.415 28.183 1.00 0.00 C +ATOM 1167 HD2 PHE 77 33.772 39.915 28.213 1.00 0.00 H +ATOM 1168 C PHE 77 33.606 37.863 31.298 1.00 0.00 C +ATOM 1169 O PHE 77 33.241 36.735 31.031 1.00 0.00 O +ATOM 1170 N LEU 78 34.867 38.196 31.252 1.00 0.00 N +ATOM 1171 H LEU 78 35.142 39.110 31.472 1.00 0.00 H +ATOM 1172 CA LEU 78 35.889 37.181 30.866 1.00 0.00 C +ATOM 1173 HA LEU 78 35.619 36.707 29.937 1.00 0.00 H +ATOM 1174 CB LEU 78 37.188 37.968 30.696 1.00 0.00 C +ATOM 1175 HB2 LEU 78 37.149 38.863 31.299 1.00 0.00 H +ATOM 1176 HB3 LEU 78 38.021 37.358 31.009 1.00 0.00 H +ATOM 1177 CG LEU 78 37.364 38.351 29.226 1.00 0.00 C +ATOM 1178 HG LEU 78 36.423 38.702 28.830 1.00 0.00 H +ATOM 1179 CD1 LEU 78 38.412 39.459 29.108 1.00 0.00 C +ATOM 1180 HD11 LEU 78 38.282 40.165 29.915 1.00 0.00 H +ATOM 1181 HD12 LEU 78 39.401 39.029 29.163 1.00 0.00 H +ATOM 1182 HD13 LEU 78 38.293 39.968 28.163 1.00 0.00 H +ATOM 1183 CD2 LEU 78 37.828 37.125 28.435 1.00 0.00 C +ATOM 1184 HD21 LEU 78 38.502 36.539 29.042 1.00 0.00 H +ATOM 1185 HD22 LEU 78 36.971 36.525 28.167 1.00 0.00 H +ATOM 1186 HD23 LEU 78 38.337 37.447 27.539 1.00 0.00 H +ATOM 1187 C LEU 78 36.034 36.140 31.977 1.00 0.00 C +ATOM 1188 O LEU 78 35.949 34.951 31.742 1.00 0.00 O +ATOM 1189 N VAL 79 36.251 36.577 33.188 1.00 0.00 N +ATOM 1190 H VAL 79 36.313 37.540 33.358 1.00 0.00 H +ATOM 1191 CA VAL 79 36.398 35.611 34.314 1.00 0.00 C +ATOM 1192 HA VAL 79 37.358 35.122 34.268 1.00 0.00 H +ATOM 1193 CB VAL 79 36.301 36.460 35.579 1.00 0.00 C +ATOM 1194 HB VAL 79 35.317 36.902 35.642 1.00 0.00 H +ATOM 1195 CG1 VAL 79 36.543 35.579 36.806 1.00 0.00 C +ATOM 1196 HG11 VAL 79 37.513 35.109 36.726 1.00 0.00 H +ATOM 1197 HG12 VAL 79 36.510 36.187 37.697 1.00 0.00 H +ATOM 1198 HG13 VAL 79 35.779 34.818 36.859 1.00 0.00 H +ATOM 1199 CG2 VAL 79 37.358 37.567 35.529 1.00 0.00 C +ATOM 1200 HG21 VAL 79 37.842 37.557 34.563 1.00 0.00 H +ATOM 1201 HG22 VAL 79 36.884 38.524 35.684 1.00 0.00 H +ATOM 1202 HG23 VAL 79 38.092 37.398 36.301 1.00 0.00 H +ATOM 1203 C VAL 79 35.269 34.579 34.268 1.00 0.00 C +ATOM 1204 O VAL 79 35.454 33.426 34.602 1.00 0.00 O +ATOM 1205 N MET 80 34.101 34.985 33.852 1.00 0.00 N +ATOM 1206 H MET 80 33.973 35.919 33.583 1.00 0.00 H +ATOM 1207 CA MET 80 32.963 34.027 33.779 1.00 0.00 C +ATOM 1208 HA MET 80 32.824 33.531 34.728 1.00 0.00 H +ATOM 1209 CB MET 80 31.741 34.885 33.452 1.00 0.00 C +ATOM 1210 HB2 MET 80 32.015 35.929 33.486 1.00 0.00 H +ATOM 1211 HB3 MET 80 31.382 34.637 32.464 1.00 0.00 H +ATOM 1212 CG MET 80 30.639 34.612 34.475 1.00 0.00 C +ATOM 1213 HG2 MET 80 30.230 33.626 34.310 1.00 0.00 H +ATOM 1214 HG3 MET 80 31.050 34.669 35.471 1.00 0.00 H +ATOM 1215 SD MET 80 29.328 35.846 34.294 1.00 0.00 S +ATOM 1216 CE MET 80 28.571 35.155 32.802 1.00 0.00 C +ATOM 1217 HE1 MET 80 28.724 34.085 32.786 1.00 0.00 H +ATOM 1218 HE2 MET 80 27.512 35.374 32.803 1.00 0.00 H +ATOM 1219 HE3 MET 80 29.025 35.595 31.929 1.00 0.00 H +ATOM 1220 C MET 80 33.217 33.003 32.671 1.00 0.00 C +ATOM 1221 O MET 80 32.867 31.845 32.789 1.00 0.00 O +ATOM 1222 N MET 81 33.829 33.422 31.597 1.00 0.00 N +ATOM 1223 H MET 81 34.107 34.359 31.527 1.00 0.00 H +ATOM 1224 CA MET 81 34.113 32.474 30.483 1.00 0.00 C +ATOM 1225 HA MET 81 33.226 31.916 30.225 1.00 0.00 H +ATOM 1226 CB MET 81 34.536 33.360 29.310 1.00 0.00 C +ATOM 1227 HB2 MET 81 34.727 34.361 29.666 1.00 0.00 H +ATOM 1228 HB3 MET 81 35.432 32.961 28.861 1.00 0.00 H +ATOM 1229 CG MET 81 33.419 33.395 28.266 1.00 0.00 C +ATOM 1230 HG2 MET 81 33.378 32.447 27.749 1.00 0.00 H +ATOM 1231 HG3 MET 81 32.473 33.576 28.757 1.00 0.00 H +ATOM 1232 SD MET 81 33.747 34.718 27.076 1.00 0.00 S +ATOM 1233 CE MET 81 32.045 34.939 26.502 1.00 0.00 C +ATOM 1234 HE1 MET 81 31.640 33.981 26.203 1.00 0.00 H +ATOM 1235 HE2 MET 81 31.445 35.347 27.300 1.00 0.00 H +ATOM 1236 HE3 MET 81 32.035 35.619 25.662 1.00 0.00 H +ATOM 1237 C MET 81 35.247 31.525 30.883 1.00 0.00 C +ATOM 1238 O MET 81 35.115 30.319 30.812 1.00 0.00 O +ATOM 1239 N VAL 82 36.359 32.061 31.307 1.00 0.00 N +ATOM 1240 H VAL 82 36.443 33.037 31.360 1.00 0.00 H +ATOM 1241 CA VAL 82 37.499 31.192 31.719 1.00 0.00 C +ATOM 1242 HA VAL 82 37.933 30.704 30.860 1.00 0.00 H +ATOM 1243 CB VAL 82 38.513 32.146 32.347 1.00 0.00 C +ATOM 1244 HB VAL 82 38.931 32.784 31.582 1.00 0.00 H +ATOM 1245 CG1 VAL 82 37.817 33.005 33.402 1.00 0.00 C +ATOM 1246 HG11 VAL 82 37.190 32.379 34.020 1.00 0.00 H +ATOM 1247 HG12 VAL 82 38.560 33.491 34.019 1.00 0.00 H +ATOM 1248 HG13 VAL 82 37.210 33.753 32.915 1.00 0.00 H +ATOM 1249 CG2 VAL 82 39.630 31.339 33.010 1.00 0.00 C +ATOM 1250 HG21 VAL 82 39.685 30.360 32.558 1.00 0.00 H +ATOM 1251 HG22 VAL 82 40.572 31.851 32.875 1.00 0.00 H +ATOM 1252 HG23 VAL 82 39.424 31.239 34.066 1.00 0.00 H +ATOM 1253 C VAL 82 37.026 30.159 32.746 1.00 0.00 C +ATOM 1254 O VAL 82 37.614 29.106 32.897 1.00 0.00 O +ATOM 1255 N ARG 83 35.971 30.455 33.454 1.00 0.00 N +ATOM 1256 H ARG 83 35.513 31.311 33.318 1.00 0.00 H +ATOM 1257 CA ARG 83 35.461 29.494 34.475 1.00 0.00 C +ATOM 1258 HA ARG 83 36.274 28.920 34.894 1.00 0.00 H +ATOM 1259 CB ARG 83 34.826 30.367 35.559 1.00 0.00 C +ATOM 1260 HB2 ARG 83 34.330 31.208 35.097 1.00 0.00 H +ATOM 1261 HB3 ARG 83 34.105 29.784 36.113 1.00 0.00 H +ATOM 1262 CG ARG 83 35.909 30.874 36.515 1.00 0.00 C +ATOM 1263 HG2 ARG 83 36.205 30.074 37.179 1.00 0.00 H +ATOM 1264 HG3 ARG 83 36.764 31.207 35.947 1.00 0.00 H +ATOM 1265 CD ARG 83 35.356 32.042 37.335 1.00 0.00 C +ATOM 1266 HD2 ARG 83 35.111 32.872 36.686 1.00 0.00 H +ATOM 1267 HD3 ARG 83 34.488 31.731 37.896 1.00 0.00 H +ATOM 1268 NE ARG 83 36.458 32.415 38.265 1.00 0.00 N +ATOM 1269 HE ARG 83 37.343 32.639 37.911 1.00 0.00 H +ATOM 1270 CZ ARG 83 36.244 32.444 39.553 1.00 0.00 C +ATOM 1271 NH1 ARG 83 35.788 31.385 40.163 1.00 0.00 N +ATOM 1272 HH11 ARG 83 35.601 30.550 39.644 1.00 0.00 H +ATOM 1273 HH12 ARG 83 35.625 31.407 41.150 1.00 0.00 H +ATOM 1274 NH2 ARG 83 36.488 33.533 40.230 1.00 0.00 N +ATOM 1275 HH21 ARG 83 36.837 34.345 39.762 1.00 0.00 H +ATOM 1276 HH22 ARG 83 36.327 33.554 41.216 1.00 0.00 H +ATOM 1277 C ARG 83 34.410 28.566 33.858 1.00 0.00 C +ATOM 1278 O ARG 83 34.232 27.443 34.287 1.00 0.00 O +ATOM 1279 N CYS 84 33.707 29.026 32.858 1.00 0.00 N +ATOM 1280 H CYS 84 33.861 29.937 32.530 1.00 0.00 H +ATOM 1281 CA CYS 84 32.664 28.169 32.226 1.00 0.00 C +ATOM 1282 HA CYS 84 32.374 27.374 32.894 1.00 0.00 H +ATOM 1283 CB CYS 84 31.478 29.104 31.985 1.00 0.00 C +ATOM 1284 HB2 CYS 84 31.520 29.924 32.686 1.00 0.00 H +ATOM 1285 HB3 CYS 84 31.523 29.490 30.977 1.00 0.00 H +ATOM 1286 SG CYS 84 29.932 28.193 32.216 1.00 0.00 S +ATOM 1287 HG CYS 84 29.270 28.809 32.540 1.00 0.00 H +ATOM 1288 C CYS 84 33.172 27.592 30.900 1.00 0.00 C +ATOM 1289 O CYS 84 32.503 26.807 30.258 1.00 0.00 O +ATOM 1290 N MET 85 34.349 27.975 30.483 1.00 0.00 N +ATOM 1291 H MET 85 34.876 28.609 31.013 1.00 0.00 H +ATOM 1292 CA MET 85 34.891 27.444 29.198 1.00 0.00 C +ATOM 1293 HA MET 85 34.084 27.202 28.523 1.00 0.00 H +ATOM 1294 CB MET 85 35.734 28.583 28.616 1.00 0.00 C +ATOM 1295 HB2 MET 85 35.933 28.384 27.572 1.00 0.00 H +ATOM 1296 HB3 MET 85 35.192 29.512 28.708 1.00 0.00 H +ATOM 1297 CG MET 85 37.060 28.691 29.377 1.00 0.00 C +ATOM 1298 HG2 MET 85 36.878 29.093 30.363 1.00 0.00 H +ATOM 1299 HG3 MET 85 37.510 27.714 29.464 1.00 0.00 H +ATOM 1300 SD MET 85 38.182 29.790 28.477 1.00 0.00 S +ATOM 1301 CE MET 85 36.971 31.071 28.073 1.00 0.00 C +ATOM 1302 HE1 MET 85 36.141 30.631 27.546 1.00 0.00 H +ATOM 1303 HE2 MET 85 36.616 31.528 28.986 1.00 0.00 H +ATOM 1304 HE3 MET 85 37.437 31.821 27.446 1.00 0.00 H +ATOM 1305 C MET 85 35.756 26.207 29.457 1.00 0.00 C +ATOM 1306 O MET 85 36.237 25.571 28.541 1.00 0.00 O +ATOM 1307 N LYS 86 35.961 25.865 30.700 1.00 0.00 N +ATOM 1308 H LYS 86 35.566 26.394 31.425 1.00 0.00 H +ATOM 1309 CA LYS 86 36.798 24.673 31.017 1.00 0.00 C +ATOM 1310 HA LYS 86 37.267 24.293 30.123 1.00 0.00 H +ATOM 1311 CB LYS 86 37.864 25.185 31.988 1.00 0.00 C +ATOM 1312 HB2 LYS 86 37.819 26.263 32.036 1.00 0.00 H +ATOM 1313 HB3 LYS 86 37.684 24.773 32.970 1.00 0.00 H +ATOM 1314 CG LYS 86 39.248 24.752 31.502 1.00 0.00 C +ATOM 1315 HG2 LYS 86 39.398 23.706 31.730 1.00 0.00 H +ATOM 1316 HG3 LYS 86 39.318 24.902 30.436 1.00 0.00 H +ATOM 1317 CD LYS 86 40.320 25.588 32.203 1.00 0.00 C +ATOM 1318 HD2 LYS 86 41.037 25.940 31.474 1.00 0.00 H +ATOM 1319 HD3 LYS 86 39.858 26.432 32.691 1.00 0.00 H +ATOM 1320 CE LYS 86 41.036 24.729 33.247 1.00 0.00 C +ATOM 1321 HE2 LYS 86 40.322 24.119 33.784 1.00 0.00 H +ATOM 1322 HE3 LYS 86 41.784 24.110 32.777 1.00 0.00 H +ATOM 1323 NZ LYS 86 41.686 25.704 34.168 1.00 0.00 N +ATOM 1324 HZ1 LYS 86 41.926 26.568 33.643 1.00 0.00 H +ATOM 1325 HZ2 LYS 86 41.032 25.940 34.941 1.00 0.00 H +ATOM 1326 HZ3 LYS 86 42.552 25.284 34.562 1.00 0.00 H +ATOM 1327 C LYS 86 35.947 23.587 31.678 1.00 0.00 C +ATOM 1328 O LYS 86 34.914 23.860 32.255 1.00 0.00 O +ATOM 1329 N ASP 87 36.375 22.357 31.599 1.00 0.00 N +ATOM 1330 H ASP 87 37.211 22.157 31.129 1.00 0.00 H +ATOM 1331 CA ASP 87 35.590 21.253 32.223 1.00 0.00 C +ATOM 1332 HA ASP 87 34.534 21.399 32.057 1.00 0.00 H +ATOM 1333 CB ASP 87 36.061 19.983 31.515 1.00 0.00 C +ATOM 1334 HB2 ASP 87 36.381 20.228 30.512 1.00 0.00 H +ATOM 1335 HB3 ASP 87 36.885 19.550 32.061 1.00 0.00 H +ATOM 1336 CG ASP 87 34.911 18.975 31.452 1.00 0.00 C +ATOM 1337 OD1 ASP 87 34.609 18.386 32.476 1.00 0.00 O +ATOM 1338 OD2 ASP 87 34.353 18.810 30.380 1.00 0.00 O +ATOM 1339 C ASP 87 35.890 21.174 33.722 1.00 0.00 C +ATOM 1340 O ASP 87 36.847 20.555 34.142 1.00 0.00 O +ATOM 1341 N ASP 88 35.079 21.797 34.533 1.00 0.00 N +ATOM 1342 H ASP 88 34.312 22.291 34.175 1.00 0.00 H +ATOM 1343 CA ASP 88 35.318 21.756 36.004 1.00 0.00 C +ATOM 1344 HA ASP 88 36.152 21.111 36.232 1.00 0.00 H +ATOM 1345 CB ASP 88 35.648 23.198 36.393 1.00 0.00 C +ATOM 1346 HB2 ASP 88 36.097 23.211 37.375 1.00 0.00 H +ATOM 1347 HB3 ASP 88 36.338 23.615 35.676 1.00 0.00 H +ATOM 1348 CG ASP 88 34.366 24.035 36.407 1.00 0.00 C +ATOM 1349 OD1 ASP 88 33.429 23.658 35.722 1.00 0.00 O +ATOM 1350 OD2 ASP 88 34.343 25.036 37.102 1.00 0.00 O +ATOM 1351 C ASP 88 34.057 21.274 36.726 1.00 0.00 C +ATOM 1352 O ASP 88 33.756 21.701 37.823 1.00 0.00 O +ATOM 1353 N SER 89 33.316 20.392 36.115 1.00 0.00 N +ATOM 1354 H SER 89 33.577 20.063 35.230 1.00 0.00 H +ATOM 1355 CA SER 89 32.073 19.884 36.761 1.00 0.00 C +ATOM 1356 HA SER 89 31.772 20.534 37.567 1.00 0.00 H +ATOM 1357 CB SER 89 31.020 19.903 35.654 1.00 0.00 C +ATOM 1358 HB2 SER 89 31.215 20.722 34.983 1.00 0.00 H +ATOM 1359 HB3 SER 89 31.063 18.972 35.104 1.00 0.00 H +ATOM 1360 OG SER 89 29.733 20.068 36.232 1.00 0.00 O +ATOM 1361 HG SER 89 29.645 19.436 36.949 1.00 0.00 H +ATOM 1362 C SER 89 32.288 18.458 37.275 1.00 0.00 C +ATOM 1363 O SER 89 32.239 17.545 36.468 1.00 0.00 O +ATOM 1364 OXT SER 89 32.497 18.304 38.468 1.00 0.00 O +TER +ATOM 1365 Ca Ca 90 29.868 43.679 37.727 1.00 0.00 +TER +ATOM 1366 Na+ Na+ 91 28.804 26.677 38.840 1.00 0.00 +TER +ATOM 1367 Na+ Na+ 92 36.804 48.677 32.840 1.00 0.00 +TER +ATOM 1368 Na+ Na+ 93 26.804 35.677 46.840 1.00 0.00 +TER +ATOM 1369 Na+ Na+ 94 29.804 23.677 34.840 1.00 0.00 +TER +ATOM 1370 Na+ Na+ 95 34.804 15.677 34.840 1.00 0.00 +TER +ATOM 1371 Na+ Na+ 96 25.804 50.677 36.840 1.00 0.00 +TER +ATOM 1372 Na+ Na+ 97 24.804 40.677 42.840 1.00 0.00 +TER +ATOM 1373 Na+ Na+ 98 41.804 32.677 15.840 1.00 0.00 +TER +ATOM 1374 Na+ Na+ 99 31.804 50.677 30.840 1.00 0.00 +TER +ATOM 1375 Na+ Na+ 100 26.804 27.677 44.840 1.00 0.00 +TER +ATOM 1376 Na+ Na+ 101 46.804 43.677 35.840 1.00 0.00 +TER +ATOM 1377 Na+ Na+ 102 51.804 40.677 18.840 1.00 0.00 +TER +ATOM 1378 Na+ Na+ 103 15.804 25.677 42.840 1.00 0.00 +TER +ATOM 1379 O WAT 104 64.605 62.252 60.565 1.00 0.00 O +ATOM 1380 H1 WAT 104 64.525 61.337 60.294 1.00 0.00 H +ATOM 1381 H2 WAT 104 64.192 62.749 59.859 1.00 0.00 H +TER +ATOM 1382 O WAT 105 62.737 64.030 62.446 1.00 0.00 O +ATOM 1383 H1 WAT 105 61.961 63.550 62.736 1.00 0.00 H +ATOM 1384 H2 WAT 105 63.388 63.350 62.272 1.00 0.00 H +TER +ATOM 1385 O WAT 106 56.754 64.342 63.324 1.00 0.00 O +ATOM 1386 H1 WAT 106 55.922 64.087 63.723 1.00 0.00 H +ATOM 1387 H2 WAT 106 57.362 64.413 64.060 1.00 0.00 H +TER +ATOM 1388 O WAT 107 55.163 59.302 57.108 1.00 0.00 O +ATOM 1389 H1 WAT 107 54.274 59.644 57.006 1.00 0.00 H +ATOM 1390 H2 WAT 107 55.447 59.102 56.216 1.00 0.00 H +TER +ATOM 1391 O WAT 108 53.126 61.903 62.992 1.00 0.00 O +ATOM 1392 H1 WAT 108 53.698 61.135 62.992 1.00 0.00 H +ATOM 1393 H2 WAT 108 53.126 62.201 62.083 1.00 0.00 H +TER +ATOM 1394 O WAT 109 62.178 66.706 62.453 1.00 0.00 O +ATOM 1395 H1 WAT 109 62.109 65.765 62.292 1.00 0.00 H +ATOM 1396 H2 WAT 109 62.940 66.796 63.025 1.00 0.00 H +TER +ATOM 1397 O WAT 110 54.369 57.311 64.779 1.00 0.00 O +ATOM 1398 H1 WAT 110 54.189 56.414 65.059 1.00 0.00 H +ATOM 1399 H2 WAT 110 53.967 57.858 65.454 1.00 0.00 H +TER +ATOM 1400 O WAT 111 63.208 59.513 62.680 1.00 0.00 O +ATOM 1401 H1 WAT 111 63.585 58.640 62.567 1.00 0.00 H +ATOM 1402 H2 WAT 111 63.110 59.849 61.789 1.00 0.00 H +TER +ATOM 1403 O WAT 112 57.339 57.885 58.142 1.00 0.00 O +ATOM 1404 H1 WAT 112 57.446 58.786 58.449 1.00 0.00 H +ATOM 1405 H2 WAT 112 56.428 57.837 57.851 1.00 0.00 H +TER +ATOM 1406 O WAT 113 54.987 59.807 63.387 1.00 0.00 O +ATOM 1407 H1 WAT 113 55.668 60.071 64.006 1.00 0.00 H +ATOM 1408 H2 WAT 113 54.672 58.967 63.721 1.00 0.00 H +TER +ATOM 1409 O WAT 114 59.180 60.854 62.474 1.00 0.00 O +ATOM 1410 H1 WAT 114 59.688 61.352 63.115 1.00 0.00 H +ATOM 1411 H2 WAT 114 59.711 60.077 62.298 1.00 0.00 H +TER +ATOM 1412 O WAT 115 63.850 65.606 58.240 1.00 0.00 O +ATOM 1413 H1 WAT 115 63.232 66.071 57.676 1.00 0.00 H +ATOM 1414 H2 WAT 115 64.363 66.298 58.657 1.00 0.00 H +TER +ATOM 1415 O WAT 116 58.714 65.133 64.918 1.00 0.00 O +ATOM 1416 H1 WAT 116 58.381 65.760 65.560 1.00 0.00 H +ATOM 1417 H2 WAT 116 58.890 65.659 64.138 1.00 0.00 H +TER +ATOM 1418 O WAT 117 57.145 57.205 64.748 1.00 0.00 O +ATOM 1419 H1 WAT 117 57.487 58.049 64.453 1.00 0.00 H +ATOM 1420 H2 WAT 117 56.206 57.353 64.864 1.00 0.00 H +TER +ATOM 1421 O WAT 118 53.219 66.291 55.614 1.00 0.00 O +ATOM 1422 H1 WAT 118 52.842 66.780 54.882 1.00 0.00 H +ATOM 1423 H2 WAT 118 53.476 66.964 56.244 1.00 0.00 H +TER +ATOM 1424 O WAT 119 60.828 54.693 61.072 1.00 0.00 O +ATOM 1425 H1 WAT 119 61.135 54.138 60.356 1.00 0.00 H +ATOM 1426 H2 WAT 119 59.898 54.827 60.890 1.00 0.00 H +TER +ATOM 1427 O WAT 120 63.216 62.758 57.808 1.00 0.00 O +ATOM 1428 H1 WAT 120 62.289 62.692 58.037 1.00 0.00 H +ATOM 1429 H2 WAT 120 63.368 63.696 57.694 1.00 0.00 H +TER +ATOM 1430 O WAT 121 63.203 59.030 54.805 1.00 0.00 O +ATOM 1431 H1 WAT 121 62.263 59.191 54.890 1.00 0.00 H +ATOM 1432 H2 WAT 121 63.521 59.748 54.259 1.00 0.00 H +TER +ATOM 1433 O WAT 122 58.821 63.284 60.590 1.00 0.00 O +ATOM 1434 H1 WAT 122 58.417 62.572 60.095 1.00 0.00 H +ATOM 1435 H2 WAT 122 58.908 62.940 61.479 1.00 0.00 H +TER +ATOM 1436 O WAT 123 59.290 66.971 62.754 1.00 0.00 O +ATOM 1437 H1 WAT 123 58.992 66.366 62.075 1.00 0.00 H +ATOM 1438 H2 WAT 123 60.240 67.009 62.643 1.00 0.00 H +TER +ATOM 1439 O WAT 124 57.534 60.059 64.370 1.00 0.00 O +ATOM 1440 H1 WAT 124 58.086 60.168 63.595 1.00 0.00 H +ATOM 1441 H2 WAT 124 58.049 60.432 65.086 1.00 0.00 H +TER +ATOM 1442 O WAT 125 55.522 62.179 58.091 1.00 0.00 O +ATOM 1443 H1 WAT 125 55.402 62.905 57.479 1.00 0.00 H +ATOM 1444 H2 WAT 125 55.212 61.409 57.614 1.00 0.00 H +TER +ATOM 1445 O WAT 126 53.160 65.350 63.898 1.00 0.00 O +ATOM 1446 H1 WAT 126 53.238 65.485 62.953 1.00 0.00 H +ATOM 1447 H2 WAT 126 53.775 64.642 64.091 1.00 0.00 H +TER +ATOM 1448 O WAT 127 54.405 67.050 60.308 1.00 0.00 O +ATOM 1449 H1 WAT 127 53.998 67.192 59.454 1.00 0.00 H +ATOM 1450 H2 WAT 127 55.296 66.766 60.105 1.00 0.00 H +TER +ATOM 1451 O WAT 128 57.988 55.522 61.473 1.00 0.00 O +ATOM 1452 H1 WAT 128 57.545 56.303 61.142 1.00 0.00 H +ATOM 1453 H2 WAT 128 58.547 55.845 62.180 1.00 0.00 H +TER +ATOM 1454 O WAT 129 61.104 55.143 56.354 1.00 0.00 O +ATOM 1455 H1 WAT 129 60.480 55.139 57.079 1.00 0.00 H +ATOM 1456 H2 WAT 129 61.017 54.276 55.957 1.00 0.00 H +TER +ATOM 1457 O WAT 130 60.026 56.067 63.332 1.00 0.00 O +ATOM 1458 H1 WAT 130 60.323 56.973 63.251 1.00 0.00 H +ATOM 1459 H2 WAT 130 60.574 55.579 62.718 1.00 0.00 H +TER +ATOM 1460 O WAT 131 57.780 60.646 59.201 1.00 0.00 O +ATOM 1461 H1 WAT 131 57.554 60.429 60.106 1.00 0.00 H +ATOM 1462 H2 WAT 131 56.999 61.078 58.856 1.00 0.00 H +TER +ATOM 1463 O WAT 132 65.009 60.652 57.800 1.00 0.00 O +ATOM 1464 H1 WAT 132 64.410 61.376 57.617 1.00 0.00 H +ATOM 1465 H2 WAT 132 65.557 60.590 57.018 1.00 0.00 H +TER +ATOM 1466 O WAT 133 63.616 59.288 59.831 1.00 0.00 O +ATOM 1467 H1 WAT 133 64.009 59.606 59.018 1.00 0.00 H +ATOM 1468 H2 WAT 133 63.978 58.410 59.945 1.00 0.00 H +TER +ATOM 1469 O WAT 134 52.652 55.878 62.054 1.00 0.00 O +ATOM 1470 H1 WAT 134 52.364 56.449 62.766 1.00 0.00 H +ATOM 1471 H2 WAT 134 53.397 55.399 62.417 1.00 0.00 H +TER +ATOM 1472 O WAT 135 52.839 59.820 53.264 1.00 0.00 O +ATOM 1473 H1 WAT 135 52.757 60.764 53.406 1.00 0.00 H +ATOM 1474 H2 WAT 135 52.488 59.678 52.385 1.00 0.00 H +TER +ATOM 1475 O WAT 136 64.201 61.879 63.926 1.00 0.00 O +ATOM 1476 H1 WAT 136 63.470 62.388 64.275 1.00 0.00 H +ATOM 1477 H2 WAT 136 63.804 61.062 63.625 1.00 0.00 H +TER +ATOM 1478 O WAT 137 60.639 58.554 62.331 1.00 0.00 O +ATOM 1479 H1 WAT 137 60.643 58.113 61.482 1.00 0.00 H +ATOM 1480 H2 WAT 137 61.534 58.876 62.438 1.00 0.00 H +TER +ATOM 1481 O WAT 138 56.489 58.437 61.290 1.00 0.00 O +ATOM 1482 H1 WAT 138 56.149 58.914 62.047 1.00 0.00 H +ATOM 1483 H2 WAT 138 55.727 57.983 60.931 1.00 0.00 H +TER +ATOM 1484 O WAT 139 60.701 59.556 55.322 1.00 0.00 O +ATOM 1485 H1 WAT 139 60.822 59.514 56.270 1.00 0.00 H +ATOM 1486 H2 WAT 139 60.316 60.418 55.166 1.00 0.00 H +TER +ATOM 1487 O WAT 140 64.664 57.332 63.338 1.00 0.00 O +ATOM 1488 H1 WAT 140 64.681 57.783 64.182 1.00 0.00 H +ATOM 1489 H2 WAT 140 64.416 56.433 63.551 1.00 0.00 H +TER +ATOM 1490 O WAT 141 59.713 61.866 54.720 1.00 0.00 O +ATOM 1491 H1 WAT 141 59.145 61.417 54.094 1.00 0.00 H +ATOM 1492 H2 WAT 141 60.422 62.225 54.187 1.00 0.00 H +TER +ATOM 1493 O WAT 142 60.940 62.615 64.078 1.00 0.00 O +ATOM 1494 H1 WAT 142 61.307 62.140 64.824 1.00 0.00 H +ATOM 1495 H2 WAT 142 60.750 63.489 64.418 1.00 0.00 H +TER +ATOM 1496 O WAT 143 53.804 57.359 60.207 1.00 0.00 O +ATOM 1497 H1 WAT 143 53.519 56.994 61.045 1.00 0.00 H +ATOM 1498 H2 WAT 143 53.742 56.627 59.593 1.00 0.00 H +TER +ATOM 1499 O WAT 144 57.258 65.861 56.993 1.00 0.00 O +ATOM 1500 H1 WAT 144 56.484 65.321 56.833 1.00 0.00 H +ATOM 1501 H2 WAT 144 57.988 65.342 56.654 1.00 0.00 H +TER +ATOM 1502 O WAT 145 63.478 56.252 56.928 1.00 0.00 O +ATOM 1503 H1 WAT 145 62.664 55.753 56.853 1.00 0.00 H +ATOM 1504 H2 WAT 145 63.284 57.092 56.512 1.00 0.00 H +TER +ATOM 1505 O WAT 146 57.302 65.530 60.631 1.00 0.00 O +ATOM 1506 H1 WAT 146 57.820 64.726 60.576 1.00 0.00 H +ATOM 1507 H2 WAT 146 56.850 65.467 61.472 1.00 0.00 H +TER +ATOM 1508 O WAT 147 62.189 66.796 55.903 1.00 0.00 O +ATOM 1509 H1 WAT 147 62.530 67.540 55.408 1.00 0.00 H +ATOM 1510 H2 WAT 147 61.360 67.109 56.266 1.00 0.00 H +TER +ATOM 1511 O WAT 148 65.072 66.118 61.268 1.00 0.00 O +ATOM 1512 H1 WAT 148 65.424 65.521 60.608 1.00 0.00 H +ATOM 1513 H2 WAT 148 64.188 65.792 61.439 1.00 0.00 H +TER +ATOM 1514 O WAT 149 61.158 66.877 58.675 1.00 0.00 O +ATOM 1515 H1 WAT 149 61.845 67.424 59.056 1.00 0.00 H +ATOM 1516 H2 WAT 149 60.371 67.422 58.710 1.00 0.00 H +TER +ATOM 1517 O WAT 150 53.297 62.495 54.167 1.00 0.00 O +ATOM 1518 H1 WAT 150 54.167 62.777 54.450 1.00 0.00 H +ATOM 1519 H2 WAT 150 52.806 63.308 54.052 1.00 0.00 H +TER +ATOM 1520 O WAT 151 60.461 63.882 58.287 1.00 0.00 O +ATOM 1521 H1 WAT 151 60.917 64.693 58.513 1.00 0.00 H +ATOM 1522 H2 WAT 151 60.109 63.564 59.119 1.00 0.00 H +TER +ATOM 1523 O WAT 152 56.362 54.226 58.760 1.00 0.00 O +ATOM 1524 H1 WAT 152 56.233 54.218 59.708 1.00 0.00 H +ATOM 1525 H2 WAT 152 55.538 54.564 58.409 1.00 0.00 H +TER +ATOM 1526 O WAT 153 55.282 64.312 56.295 1.00 0.00 O +ATOM 1527 H1 WAT 153 54.675 65.052 56.304 1.00 0.00 H +ATOM 1528 H2 WAT 153 55.757 64.402 55.469 1.00 0.00 H +TER +ATOM 1529 O WAT 154 60.190 59.711 58.195 1.00 0.00 O +ATOM 1530 H1 WAT 154 59.481 60.180 58.636 1.00 0.00 H +ATOM 1531 H2 WAT 154 60.474 59.054 58.830 1.00 0.00 H +TER +ATOM 1532 O WAT 155 64.221 56.437 59.635 1.00 0.00 O +ATOM 1533 H1 WAT 155 64.098 56.455 58.686 1.00 0.00 H +ATOM 1534 H2 WAT 155 65.170 56.484 59.754 1.00 0.00 H +TER +ATOM 1535 O WAT 156 58.393 58.020 55.570 1.00 0.00 O +ATOM 1536 H1 WAT 156 59.242 58.457 55.504 1.00 0.00 H +ATOM 1537 H2 WAT 156 58.026 58.332 56.397 1.00 0.00 H +TER +ATOM 1538 O WAT 157 57.292 64.273 54.044 1.00 0.00 O +ATOM 1539 H1 WAT 157 58.059 64.161 54.606 1.00 0.00 H +ATOM 1540 H2 WAT 157 57.370 63.577 53.391 1.00 0.00 H +TER +ATOM 1541 O WAT 158 55.987 61.706 54.727 1.00 0.00 O +ATOM 1542 H1 WAT 158 56.067 60.758 54.839 1.00 0.00 H +ATOM 1543 H2 WAT 158 56.879 62.036 54.833 1.00 0.00 H +TER +ATOM 1544 O WAT 159 60.416 66.249 53.517 1.00 0.00 O +ATOM 1545 H1 WAT 159 60.311 65.634 54.243 1.00 0.00 H +ATOM 1546 H2 WAT 159 60.249 65.725 52.734 1.00 0.00 H +TER +ATOM 1547 O WAT 160 63.657 65.311 54.121 1.00 0.00 O +ATOM 1548 H1 WAT 160 63.108 65.758 54.766 1.00 0.00 H +ATOM 1549 H2 WAT 160 64.279 64.806 54.645 1.00 0.00 H +TER +ATOM 1550 O WAT 161 59.324 64.270 56.018 1.00 0.00 O +ATOM 1551 H1 WAT 161 59.746 64.104 56.861 1.00 0.00 H +ATOM 1552 H2 WAT 161 59.449 63.460 55.523 1.00 0.00 H +TER +ATOM 1553 O WAT 162 61.837 63.294 53.266 1.00 0.00 O +ATOM 1554 H1 WAT 162 62.358 62.578 52.900 1.00 0.00 H +ATOM 1555 H2 WAT 162 62.484 63.932 53.566 1.00 0.00 H +TER +ATOM 1556 O WAT 163 58.220 60.343 52.964 1.00 0.00 O +ATOM 1557 H1 WAT 163 58.019 59.480 53.325 1.00 0.00 H +ATOM 1558 H2 WAT 163 58.049 60.256 52.026 1.00 0.00 H +TER +ATOM 1559 O WAT 164 57.018 57.443 52.952 1.00 0.00 O +ATOM 1560 H1 WAT 164 57.321 57.450 52.043 1.00 0.00 H +ATOM 1561 H2 WAT 164 57.758 57.093 53.448 1.00 0.00 H +TER +ATOM 1562 O WAT 165 60.237 56.387 53.937 1.00 0.00 O +ATOM 1563 H1 WAT 165 59.889 55.709 53.357 1.00 0.00 H +ATOM 1564 H2 WAT 165 60.438 55.926 54.752 1.00 0.00 H +TER +ATOM 1565 O WAT 166 56.041 66.747 53.785 1.00 0.00 O +ATOM 1566 H1 WAT 166 56.479 67.290 54.440 1.00 0.00 H +ATOM 1567 H2 WAT 166 56.526 65.922 53.794 1.00 0.00 H +TER +ATOM 1568 O WAT 167 57.852 67.867 58.897 1.00 0.00 O +ATOM 1569 H1 WAT 167 57.552 67.744 59.797 1.00 0.00 H +ATOM 1570 H2 WAT 167 57.746 67.008 58.488 1.00 0.00 H +TER +ATOM 1571 O WAT 168 53.577 62.915 60.334 1.00 0.00 O +ATOM 1572 H1 WAT 168 52.922 62.647 59.690 1.00 0.00 H +ATOM 1573 H2 WAT 168 54.415 62.806 59.884 1.00 0.00 H +TER +ATOM 1574 O WAT 169 54.615 63.301 64.874 1.00 0.00 O +ATOM 1575 H1 WAT 169 54.982 63.213 65.754 1.00 0.00 H +ATOM 1576 H2 WAT 169 54.046 62.537 64.775 1.00 0.00 H +TER +ATOM 1577 O WAT 170 52.791 60.125 56.276 1.00 0.00 O +ATOM 1578 H1 WAT 170 51.888 60.388 56.101 1.00 0.00 H +ATOM 1579 H2 WAT 170 53.275 60.396 55.496 1.00 0.00 H +TER +ATOM 1580 O WAT 171 55.334 59.182 54.186 1.00 0.00 O +ATOM 1581 H1 WAT 171 56.043 58.760 53.700 1.00 0.00 H +ATOM 1582 H2 WAT 171 54.618 59.249 53.554 1.00 0.00 H +TER +ATOM 1583 O WAT 172 54.981 55.236 53.226 1.00 0.00 O +ATOM 1584 H1 WAT 172 55.704 55.777 53.544 1.00 0.00 H +ATOM 1585 H2 WAT 172 55.254 54.962 52.350 1.00 0.00 H +TER +ATOM 1586 O WAT 173 54.671 54.486 63.128 1.00 0.00 O +ATOM 1587 H1 WAT 173 55.318 53.936 62.688 1.00 0.00 H +ATOM 1588 H2 WAT 173 55.091 54.741 63.950 1.00 0.00 H +TER +ATOM 1589 O WAT 174 63.062 54.970 64.298 1.00 0.00 O +ATOM 1590 H1 WAT 174 62.279 55.445 64.578 1.00 0.00 H +ATOM 1591 H2 WAT 174 62.768 54.066 64.189 1.00 0.00 H +TER +ATOM 1592 O WAT 175 54.406 55.275 56.819 1.00 0.00 O +ATOM 1593 H1 WAT 175 55.164 55.388 56.246 1.00 0.00 H +ATOM 1594 H2 WAT 175 53.944 56.112 56.774 1.00 0.00 H +TER +ATOM 1595 O WAT 176 60.947 57.389 59.810 1.00 0.00 O +ATOM 1596 H1 WAT 176 60.135 57.015 59.469 1.00 0.00 H +ATOM 1597 H2 WAT 176 61.452 56.633 60.112 1.00 0.00 H +TER +ATOM 1598 O WAT 177 56.779 55.801 55.360 1.00 0.00 O +ATOM 1599 H1 WAT 177 57.308 55.014 55.230 1.00 0.00 H +ATOM 1600 H2 WAT 177 57.411 56.481 55.593 1.00 0.00 H +TER +ATOM 1601 O WAT 178 58.972 55.539 58.414 1.00 0.00 O +ATOM 1602 H1 WAT 178 58.343 54.838 58.581 1.00 0.00 H +ATOM 1603 H2 WAT 178 58.433 56.299 58.197 1.00 0.00 H +TER +ATOM 1604 O WAT 179 64.605 62.252 41.791 1.00 0.00 O +ATOM 1605 H1 WAT 179 64.525 61.337 41.520 1.00 0.00 H +ATOM 1606 H2 WAT 179 64.192 62.749 41.085 1.00 0.00 H +TER +ATOM 1607 O WAT 180 62.737 64.030 43.672 1.00 0.00 O +ATOM 1608 H1 WAT 180 61.961 63.550 43.962 1.00 0.00 H +ATOM 1609 H2 WAT 180 63.388 63.350 43.497 1.00 0.00 H +TER +ATOM 1610 O WAT 181 56.754 64.342 44.549 1.00 0.00 O +ATOM 1611 H1 WAT 181 55.922 64.087 44.949 1.00 0.00 H +ATOM 1612 H2 WAT 181 57.362 64.413 45.285 1.00 0.00 H +TER +ATOM 1613 O WAT 182 55.163 59.302 38.334 1.00 0.00 O +ATOM 1614 H1 WAT 182 54.274 59.644 38.232 1.00 0.00 H +ATOM 1615 H2 WAT 182 55.447 59.102 37.442 1.00 0.00 H +TER +ATOM 1616 O WAT 183 53.126 61.903 44.218 1.00 0.00 O +ATOM 1617 H1 WAT 183 53.698 61.135 44.218 1.00 0.00 H +ATOM 1618 H2 WAT 183 53.126 62.201 43.308 1.00 0.00 H +TER +ATOM 1619 O WAT 184 62.178 66.706 43.679 1.00 0.00 O +ATOM 1620 H1 WAT 184 62.109 65.765 43.518 1.00 0.00 H +ATOM 1621 H2 WAT 184 62.940 66.796 44.251 1.00 0.00 H +TER +ATOM 1622 O WAT 185 54.369 57.311 46.005 1.00 0.00 O +ATOM 1623 H1 WAT 185 54.189 56.414 46.285 1.00 0.00 H +ATOM 1624 H2 WAT 185 53.967 57.858 46.679 1.00 0.00 H +TER +ATOM 1625 O WAT 186 63.208 59.513 43.906 1.00 0.00 O +ATOM 1626 H1 WAT 186 63.585 58.640 43.793 1.00 0.00 H +ATOM 1627 H2 WAT 186 63.110 59.849 43.015 1.00 0.00 H +TER +ATOM 1628 O WAT 187 57.339 57.885 39.367 1.00 0.00 O +ATOM 1629 H1 WAT 187 57.446 58.786 39.674 1.00 0.00 H +ATOM 1630 H2 WAT 187 56.428 57.837 39.077 1.00 0.00 H +TER +ATOM 1631 O WAT 188 54.987 59.807 44.613 1.00 0.00 O +ATOM 1632 H1 WAT 188 55.668 60.071 45.231 1.00 0.00 H +ATOM 1633 H2 WAT 188 54.672 58.967 44.947 1.00 0.00 H +TER +ATOM 1634 O WAT 189 59.180 60.854 43.700 1.00 0.00 O +ATOM 1635 H1 WAT 189 59.688 61.352 44.341 1.00 0.00 H +ATOM 1636 H2 WAT 189 59.711 60.077 43.524 1.00 0.00 H +TER +ATOM 1637 O WAT 190 57.463 55.494 47.966 1.00 0.00 O +ATOM 1638 H1 WAT 190 57.465 56.011 47.161 1.00 0.00 H +ATOM 1639 H2 WAT 190 56.634 55.017 47.943 1.00 0.00 H +TER +ATOM 1640 O WAT 191 63.850 65.606 39.465 1.00 0.00 O +ATOM 1641 H1 WAT 191 63.232 66.071 38.902 1.00 0.00 H +ATOM 1642 H2 WAT 191 64.363 66.298 39.882 1.00 0.00 H +TER +ATOM 1643 O WAT 192 58.714 65.133 46.144 1.00 0.00 O +ATOM 1644 H1 WAT 192 58.381 65.760 46.786 1.00 0.00 H +ATOM 1645 H2 WAT 192 58.890 65.659 45.364 1.00 0.00 H +TER +ATOM 1646 O WAT 193 57.145 57.205 45.973 1.00 0.00 O +ATOM 1647 H1 WAT 193 57.487 58.049 45.679 1.00 0.00 H +ATOM 1648 H2 WAT 193 56.206 57.353 46.090 1.00 0.00 H +TER +ATOM 1649 O WAT 194 57.926 67.101 47.959 1.00 0.00 O +ATOM 1650 H1 WAT 194 58.543 67.776 47.677 1.00 0.00 H +ATOM 1651 H2 WAT 194 57.065 67.510 47.867 1.00 0.00 H +TER +ATOM 1652 O WAT 195 53.219 66.291 36.839 1.00 0.00 O +ATOM 1653 H1 WAT 195 52.842 66.780 36.108 1.00 0.00 H +ATOM 1654 H2 WAT 195 53.476 66.964 37.470 1.00 0.00 H +TER +ATOM 1655 O WAT 196 60.828 54.693 42.298 1.00 0.00 O +ATOM 1656 H1 WAT 196 61.135 54.138 41.581 1.00 0.00 H +ATOM 1657 H2 WAT 196 59.898 54.827 42.115 1.00 0.00 H +TER +ATOM 1658 O WAT 197 63.216 62.758 39.034 1.00 0.00 O +ATOM 1659 H1 WAT 197 62.289 62.692 39.263 1.00 0.00 H +ATOM 1660 H2 WAT 197 63.368 63.696 38.919 1.00 0.00 H +TER +ATOM 1661 O WAT 198 63.203 59.030 36.031 1.00 0.00 O +ATOM 1662 H1 WAT 198 62.263 59.191 36.116 1.00 0.00 H +ATOM 1663 H2 WAT 198 63.521 59.748 35.484 1.00 0.00 H +TER +ATOM 1664 O WAT 199 58.821 63.284 41.816 1.00 0.00 O +ATOM 1665 H1 WAT 199 58.417 62.572 41.320 1.00 0.00 H +ATOM 1666 H2 WAT 199 58.908 62.940 42.705 1.00 0.00 H +TER +ATOM 1667 O WAT 200 59.290 66.971 43.980 1.00 0.00 O +ATOM 1668 H1 WAT 200 58.992 66.366 43.301 1.00 0.00 H +ATOM 1669 H2 WAT 200 60.240 67.009 43.869 1.00 0.00 H +TER +ATOM 1670 O WAT 201 57.534 60.059 45.596 1.00 0.00 O +ATOM 1671 H1 WAT 201 58.086 60.168 44.821 1.00 0.00 H +ATOM 1672 H2 WAT 201 58.049 60.432 46.311 1.00 0.00 H +TER +ATOM 1673 O WAT 202 58.381 66.709 50.631 1.00 0.00 O +ATOM 1674 H1 WAT 202 57.484 66.933 50.878 1.00 0.00 H +ATOM 1675 H2 WAT 202 58.407 66.833 49.682 1.00 0.00 H +TER +ATOM 1676 O WAT 203 57.209 63.581 49.206 1.00 0.00 O +ATOM 1677 H1 WAT 203 57.069 64.453 49.575 1.00 0.00 H +ATOM 1678 H2 WAT 203 56.327 63.238 49.061 1.00 0.00 H +TER +ATOM 1679 O WAT 204 55.522 62.179 39.317 1.00 0.00 O +ATOM 1680 H1 WAT 204 55.402 62.905 38.705 1.00 0.00 H +ATOM 1681 H2 WAT 204 55.212 61.409 38.839 1.00 0.00 H +TER +ATOM 1682 O WAT 205 53.160 65.350 45.123 1.00 0.00 O +ATOM 1683 H1 WAT 205 53.238 65.485 44.179 1.00 0.00 H +ATOM 1684 H2 WAT 205 53.775 64.642 45.316 1.00 0.00 H +TER +ATOM 1685 O WAT 206 54.405 67.050 41.534 1.00 0.00 O +ATOM 1686 H1 WAT 206 53.998 67.192 40.679 1.00 0.00 H +ATOM 1687 H2 WAT 206 55.296 66.766 41.331 1.00 0.00 H +TER +ATOM 1688 O WAT 207 53.216 66.392 47.663 1.00 0.00 O +ATOM 1689 H1 WAT 207 53.379 65.922 46.845 1.00 0.00 H +ATOM 1690 H2 WAT 207 53.682 65.884 48.328 1.00 0.00 H +TER +ATOM 1691 O WAT 208 57.988 55.522 42.699 1.00 0.00 O +ATOM 1692 H1 WAT 208 57.545 56.303 42.367 1.00 0.00 H +ATOM 1693 H2 WAT 208 58.547 55.845 43.406 1.00 0.00 H +TER +ATOM 1694 O WAT 209 62.275 58.389 48.302 1.00 0.00 O +ATOM 1695 H1 WAT 209 61.813 58.597 49.114 1.00 0.00 H +ATOM 1696 H2 WAT 209 61.873 57.575 47.999 1.00 0.00 H +TER +ATOM 1697 O WAT 210 64.371 61.110 51.532 1.00 0.00 O +ATOM 1698 H1 WAT 210 64.696 60.277 51.192 1.00 0.00 H +ATOM 1699 H2 WAT 210 65.159 61.633 51.680 1.00 0.00 H +TER +ATOM 1700 O WAT 211 61.104 55.143 37.579 1.00 0.00 O +ATOM 1701 H1 WAT 211 60.480 55.139 38.305 1.00 0.00 H +ATOM 1702 H2 WAT 211 61.017 54.276 37.183 1.00 0.00 H +TER +ATOM 1703 O WAT 212 60.026 56.067 44.558 1.00 0.00 O +ATOM 1704 H1 WAT 212 60.323 56.973 44.477 1.00 0.00 H +ATOM 1705 H2 WAT 212 60.574 55.579 43.944 1.00 0.00 H +TER +ATOM 1706 O WAT 213 57.780 60.646 40.427 1.00 0.00 O +ATOM 1707 H1 WAT 213 57.554 60.429 41.332 1.00 0.00 H +ATOM 1708 H2 WAT 213 56.999 61.078 40.082 1.00 0.00 H +TER +ATOM 1709 O WAT 214 65.009 60.652 39.026 1.00 0.00 O +ATOM 1710 H1 WAT 214 64.410 61.376 38.842 1.00 0.00 H +ATOM 1711 H2 WAT 214 65.557 60.590 38.244 1.00 0.00 H +TER +ATOM 1712 O WAT 215 60.220 61.544 51.093 1.00 0.00 O +ATOM 1713 H1 WAT 215 60.124 60.604 50.943 1.00 0.00 H +ATOM 1714 H2 WAT 215 61.063 61.766 50.698 1.00 0.00 H +TER +ATOM 1715 O WAT 216 63.616 59.288 41.056 1.00 0.00 O +ATOM 1716 H1 WAT 216 64.009 59.606 40.243 1.00 0.00 H +ATOM 1717 H2 WAT 216 63.978 58.410 41.171 1.00 0.00 H +TER +ATOM 1718 O WAT 217 55.351 57.956 49.246 1.00 0.00 O +ATOM 1719 H1 WAT 217 54.957 58.803 49.454 1.00 0.00 H +ATOM 1720 H2 WAT 217 54.662 57.318 49.437 1.00 0.00 H +TER +ATOM 1721 O WAT 218 61.925 58.039 52.316 1.00 0.00 O +ATOM 1722 H1 WAT 218 61.235 57.846 52.951 1.00 0.00 H +ATOM 1723 H2 WAT 218 62.668 58.323 52.849 1.00 0.00 H +TER +ATOM 1724 O WAT 219 52.652 55.878 43.279 1.00 0.00 O +ATOM 1725 H1 WAT 219 52.364 56.449 43.992 1.00 0.00 H +ATOM 1726 H2 WAT 219 53.397 55.399 43.643 1.00 0.00 H +TER +ATOM 1727 O WAT 220 52.839 59.820 34.490 1.00 0.00 O +ATOM 1728 H1 WAT 220 52.757 60.764 34.631 1.00 0.00 H +ATOM 1729 H2 WAT 220 52.488 59.678 33.611 1.00 0.00 H +TER +ATOM 1730 O WAT 221 64.201 61.879 45.151 1.00 0.00 O +ATOM 1731 H1 WAT 221 63.470 62.388 45.500 1.00 0.00 H +ATOM 1732 H2 WAT 221 63.804 61.062 44.850 1.00 0.00 H +TER +ATOM 1733 O WAT 222 60.639 58.554 43.557 1.00 0.00 O +ATOM 1734 H1 WAT 222 60.643 58.113 42.707 1.00 0.00 H +ATOM 1735 H2 WAT 222 61.534 58.876 43.664 1.00 0.00 H +TER +ATOM 1736 O WAT 223 56.489 58.437 42.516 1.00 0.00 O +ATOM 1737 H1 WAT 223 56.149 58.914 43.273 1.00 0.00 H +ATOM 1738 H2 WAT 223 55.727 57.983 42.156 1.00 0.00 H +TER +ATOM 1739 O WAT 224 60.701 59.556 36.547 1.00 0.00 O +ATOM 1740 H1 WAT 224 60.822 59.514 37.496 1.00 0.00 H +ATOM 1741 H2 WAT 224 60.316 60.418 36.392 1.00 0.00 H +TER +ATOM 1742 O WAT 225 64.664 57.332 44.564 1.00 0.00 O +ATOM 1743 H1 WAT 225 64.681 57.783 45.408 1.00 0.00 H +ATOM 1744 H2 WAT 225 64.416 56.433 44.777 1.00 0.00 H +TER +ATOM 1745 O WAT 226 59.713 61.866 35.946 1.00 0.00 O +ATOM 1746 H1 WAT 226 59.145 61.417 35.319 1.00 0.00 H +ATOM 1747 H2 WAT 226 60.422 62.225 35.412 1.00 0.00 H +TER +ATOM 1748 O WAT 227 54.790 65.767 49.822 1.00 0.00 O +ATOM 1749 H1 WAT 227 54.406 65.126 50.421 1.00 0.00 H +ATOM 1750 H2 WAT 227 55.101 66.470 50.392 1.00 0.00 H +TER +ATOM 1751 O WAT 228 60.940 62.615 45.303 1.00 0.00 O +ATOM 1752 H1 WAT 228 61.307 62.140 46.049 1.00 0.00 H +ATOM 1753 H2 WAT 228 60.750 63.489 45.644 1.00 0.00 H +TER +ATOM 1754 O WAT 229 53.804 57.359 41.433 1.00 0.00 O +ATOM 1755 H1 WAT 229 53.519 56.994 42.270 1.00 0.00 H +ATOM 1756 H2 WAT 229 53.742 56.627 40.819 1.00 0.00 H +TER +ATOM 1757 O WAT 230 58.730 61.655 47.622 1.00 0.00 O +ATOM 1758 H1 WAT 230 58.426 62.535 47.847 1.00 0.00 H +ATOM 1759 H2 WAT 230 59.685 61.715 47.657 1.00 0.00 H +TER +ATOM 1760 O WAT 231 57.258 65.861 38.218 1.00 0.00 O +ATOM 1761 H1 WAT 231 56.484 65.321 38.058 1.00 0.00 H +ATOM 1762 H2 WAT 231 57.988 65.342 37.880 1.00 0.00 H +TER +ATOM 1763 O WAT 232 63.478 56.252 38.154 1.00 0.00 O +ATOM 1764 H1 WAT 232 62.664 55.753 38.078 1.00 0.00 H +ATOM 1765 H2 WAT 232 63.284 57.092 37.738 1.00 0.00 H +TER +ATOM 1766 O WAT 233 63.399 64.929 49.898 1.00 0.00 O +ATOM 1767 H1 WAT 233 63.332 64.008 49.644 1.00 0.00 H +ATOM 1768 H2 WAT 233 62.769 65.026 50.612 1.00 0.00 H +TER +ATOM 1769 O WAT 234 57.302 65.530 41.856 1.00 0.00 O +ATOM 1770 H1 WAT 234 57.820 64.726 41.802 1.00 0.00 H +ATOM 1771 H2 WAT 234 56.850 65.467 42.698 1.00 0.00 H +TER +ATOM 1772 O WAT 235 62.189 66.796 37.129 1.00 0.00 O +ATOM 1773 H1 WAT 235 62.530 67.540 36.633 1.00 0.00 H +ATOM 1774 H2 WAT 235 61.360 67.109 37.491 1.00 0.00 H +TER +ATOM 1775 O WAT 236 54.786 62.496 48.769 1.00 0.00 O +ATOM 1776 H1 WAT 236 54.428 63.161 49.356 1.00 0.00 H +ATOM 1777 H2 WAT 236 54.492 61.664 49.140 1.00 0.00 H +TER +ATOM 1778 O WAT 237 57.988 62.954 51.653 1.00 0.00 O +ATOM 1779 H1 WAT 237 57.688 63.100 50.756 1.00 0.00 H +ATOM 1780 H2 WAT 237 58.759 62.395 51.560 1.00 0.00 H +TER +ATOM 1781 O WAT 238 63.330 67.751 49.648 1.00 0.00 O +ATOM 1782 H1 WAT 238 63.345 66.819 49.430 1.00 0.00 H +ATOM 1783 H2 WAT 238 62.623 67.837 50.287 1.00 0.00 H +TER +ATOM 1784 O WAT 239 65.072 66.118 42.494 1.00 0.00 O +ATOM 1785 H1 WAT 239 65.424 65.521 41.834 1.00 0.00 H +ATOM 1786 H2 WAT 239 64.188 65.792 42.664 1.00 0.00 H +TER +ATOM 1787 O WAT 240 61.158 66.877 39.901 1.00 0.00 O +ATOM 1788 H1 WAT 240 61.845 67.424 40.281 1.00 0.00 H +ATOM 1789 H2 WAT 240 60.371 67.422 39.936 1.00 0.00 H +TER +ATOM 1790 O WAT 241 53.297 62.495 35.392 1.00 0.00 O +ATOM 1791 H1 WAT 241 54.167 62.777 35.676 1.00 0.00 H +ATOM 1792 H2 WAT 241 52.806 63.308 35.277 1.00 0.00 H +TER +ATOM 1793 O WAT 242 60.461 63.882 39.513 1.00 0.00 O +ATOM 1794 H1 WAT 242 60.917 64.693 39.739 1.00 0.00 H +ATOM 1795 H2 WAT 242 60.109 63.564 40.345 1.00 0.00 H +TER +ATOM 1796 O WAT 243 56.362 54.226 39.985 1.00 0.00 O +ATOM 1797 H1 WAT 243 56.233 54.218 40.934 1.00 0.00 H +ATOM 1798 H2 WAT 243 55.538 54.564 39.634 1.00 0.00 H +TER +ATOM 1799 O WAT 244 53.361 55.985 49.446 1.00 0.00 O +ATOM 1800 H1 WAT 244 52.647 56.185 50.051 1.00 0.00 H +ATOM 1801 H2 WAT 244 53.781 55.209 49.818 1.00 0.00 H +TER +ATOM 1802 O WAT 245 55.282 64.312 37.520 1.00 0.00 O +ATOM 1803 H1 WAT 245 54.675 65.052 37.530 1.00 0.00 H +ATOM 1804 H2 WAT 245 55.757 64.402 36.694 1.00 0.00 H +TER +ATOM 1805 O WAT 246 64.855 58.477 47.196 1.00 0.00 O +ATOM 1806 H1 WAT 246 65.223 57.657 47.524 1.00 0.00 H +ATOM 1807 H2 WAT 246 63.995 58.537 47.612 1.00 0.00 H +TER +ATOM 1808 O WAT 247 60.190 59.711 39.421 1.00 0.00 O +ATOM 1809 H1 WAT 247 59.481 60.180 39.862 1.00 0.00 H +ATOM 1810 H2 WAT 247 60.474 59.054 40.055 1.00 0.00 H +TER +ATOM 1811 O WAT 248 61.815 61.131 47.420 1.00 0.00 O +ATOM 1812 H1 WAT 248 62.314 61.606 48.085 1.00 0.00 H +ATOM 1813 H2 WAT 248 61.958 60.208 47.627 1.00 0.00 H +TER +ATOM 1814 O WAT 249 64.221 56.437 40.860 1.00 0.00 O +ATOM 1815 H1 WAT 249 64.098 56.455 39.911 1.00 0.00 H +ATOM 1816 H2 WAT 249 65.170 56.484 40.980 1.00 0.00 H +TER +ATOM 1817 O WAT 250 58.393 58.020 36.796 1.00 0.00 O +ATOM 1818 H1 WAT 250 59.242 58.457 36.730 1.00 0.00 H +ATOM 1819 H2 WAT 250 58.026 58.332 37.623 1.00 0.00 H +TER +ATOM 1820 O WAT 251 57.292 64.273 35.269 1.00 0.00 O +ATOM 1821 H1 WAT 251 58.059 64.161 35.832 1.00 0.00 H +ATOM 1822 H2 WAT 251 57.370 63.577 34.617 1.00 0.00 H +TER +ATOM 1823 O WAT 252 55.987 61.706 35.953 1.00 0.00 O +ATOM 1824 H1 WAT 252 56.067 60.758 36.064 1.00 0.00 H +ATOM 1825 H2 WAT 252 56.879 62.036 36.059 1.00 0.00 H +TER +ATOM 1826 O WAT 253 64.631 67.148 52.192 1.00 0.00 O +ATOM 1827 H1 WAT 253 64.025 67.171 51.452 1.00 0.00 H +ATOM 1828 H2 WAT 253 64.326 66.416 52.729 1.00 0.00 H +TER +ATOM 1829 O WAT 254 53.514 63.527 51.188 1.00 0.00 O +ATOM 1830 H1 WAT 254 54.018 62.948 51.760 1.00 0.00 H +ATOM 1831 H2 WAT 254 52.775 63.811 51.726 1.00 0.00 H +TER +ATOM 1832 O WAT 255 60.416 66.249 34.743 1.00 0.00 O +ATOM 1833 H1 WAT 255 60.311 65.634 35.469 1.00 0.00 H +ATOM 1834 H2 WAT 255 60.249 65.725 33.959 1.00 0.00 H +TER +ATOM 1835 O WAT 256 60.568 64.934 50.722 1.00 0.00 O +ATOM 1836 H1 WAT 256 59.802 65.503 50.637 1.00 0.00 H +ATOM 1837 H2 WAT 256 60.749 64.642 49.829 1.00 0.00 H +TER +ATOM 1838 O WAT 257 63.657 65.311 35.347 1.00 0.00 O +ATOM 1839 H1 WAT 257 63.108 65.758 35.991 1.00 0.00 H +ATOM 1840 H2 WAT 257 64.279 64.806 35.871 1.00 0.00 H +TER +ATOM 1841 O WAT 258 55.546 61.670 52.083 1.00 0.00 O +ATOM 1842 H1 WAT 258 55.587 61.372 52.992 1.00 0.00 H +ATOM 1843 H2 WAT 258 56.401 62.071 51.924 1.00 0.00 H +TER +ATOM 1844 O WAT 259 59.324 64.270 37.244 1.00 0.00 O +ATOM 1845 H1 WAT 259 59.746 64.104 38.087 1.00 0.00 H +ATOM 1846 H2 WAT 259 59.449 63.460 36.749 1.00 0.00 H +TER +ATOM 1847 O WAT 260 57.487 60.249 50.051 1.00 0.00 O +ATOM 1848 H1 WAT 260 56.957 59.758 49.423 1.00 0.00 H +ATOM 1849 H2 WAT 260 58.156 60.678 49.516 1.00 0.00 H +TER +ATOM 1850 O WAT 261 61.837 63.294 34.491 1.00 0.00 O +ATOM 1851 H1 WAT 261 62.358 62.578 34.125 1.00 0.00 H +ATOM 1852 H2 WAT 261 62.484 63.932 34.791 1.00 0.00 H +TER +ATOM 1853 O WAT 262 57.974 57.216 50.130 1.00 0.00 O +ATOM 1854 H1 WAT 262 57.880 56.598 49.406 1.00 0.00 H +ATOM 1855 H2 WAT 262 57.394 57.942 49.903 1.00 0.00 H +TER +ATOM 1856 O WAT 263 60.740 55.773 47.163 1.00 0.00 O +ATOM 1857 H1 WAT 263 60.292 55.795 46.318 1.00 0.00 H +ATOM 1858 H2 WAT 263 60.107 55.375 47.760 1.00 0.00 H +TER +ATOM 1859 O WAT 264 61.146 64.668 47.784 1.00 0.00 O +ATOM 1860 H1 WAT 264 61.565 65.512 47.612 1.00 0.00 H +ATOM 1861 H2 WAT 264 60.227 64.806 47.555 1.00 0.00 H +TER +ATOM 1862 O WAT 265 63.483 62.400 49.168 1.00 0.00 O +ATOM 1863 H1 WAT 265 63.602 61.804 49.908 1.00 0.00 H +ATOM 1864 H2 WAT 265 64.342 62.437 48.748 1.00 0.00 H +TER +ATOM 1865 O WAT 266 58.220 60.343 34.189 1.00 0.00 O +ATOM 1866 H1 WAT 266 58.019 59.480 34.551 1.00 0.00 H +ATOM 1867 H2 WAT 266 58.049 60.256 33.252 1.00 0.00 H +TER +ATOM 1868 O WAT 267 60.250 58.942 50.426 1.00 0.00 O +ATOM 1869 H1 WAT 267 60.839 58.634 51.114 1.00 0.00 H +ATOM 1870 H2 WAT 267 59.432 58.470 50.582 1.00 0.00 H +TER +ATOM 1871 O WAT 268 57.018 57.443 34.177 1.00 0.00 O +ATOM 1872 H1 WAT 268 57.321 57.450 33.269 1.00 0.00 H +ATOM 1873 H2 WAT 268 57.758 57.093 34.674 1.00 0.00 H +TER +ATOM 1874 O WAT 269 60.237 56.387 35.163 1.00 0.00 O +ATOM 1875 H1 WAT 269 59.889 55.709 34.583 1.00 0.00 H +ATOM 1876 H2 WAT 269 60.438 55.926 35.977 1.00 0.00 H +TER +ATOM 1877 O WAT 270 56.041 66.747 35.010 1.00 0.00 O +ATOM 1878 H1 WAT 270 56.479 67.290 35.666 1.00 0.00 H +ATOM 1879 H2 WAT 270 56.526 65.922 35.020 1.00 0.00 H +TER +ATOM 1880 O WAT 271 57.852 67.867 40.122 1.00 0.00 O +ATOM 1881 H1 WAT 271 57.552 67.744 41.023 1.00 0.00 H +ATOM 1882 H2 WAT 271 57.746 67.008 39.714 1.00 0.00 H +TER +ATOM 1883 O WAT 272 53.577 62.915 41.559 1.00 0.00 O +ATOM 1884 H1 WAT 272 52.922 62.647 40.915 1.00 0.00 H +ATOM 1885 H2 WAT 272 54.415 62.806 41.109 1.00 0.00 H +TER +ATOM 1886 O WAT 273 54.615 63.301 46.100 1.00 0.00 O +ATOM 1887 H1 WAT 273 54.982 63.213 46.979 1.00 0.00 H +ATOM 1888 H2 WAT 273 54.046 62.537 46.000 1.00 0.00 H +TER +ATOM 1889 O WAT 274 54.167 60.212 50.005 1.00 0.00 O +ATOM 1890 H1 WAT 274 53.272 60.178 50.345 1.00 0.00 H +ATOM 1891 H2 WAT 274 54.706 60.410 50.771 1.00 0.00 H +TER +ATOM 1892 O WAT 275 52.791 60.125 37.502 1.00 0.00 O +ATOM 1893 H1 WAT 275 51.888 60.388 37.327 1.00 0.00 H +ATOM 1894 H2 WAT 275 53.275 60.396 36.722 1.00 0.00 H +TER +ATOM 1895 O WAT 276 55.334 59.182 35.411 1.00 0.00 O +ATOM 1896 H1 WAT 276 56.043 58.760 34.926 1.00 0.00 H +ATOM 1897 H2 WAT 276 54.618 59.249 34.780 1.00 0.00 H +TER +ATOM 1898 O WAT 277 54.981 55.236 34.452 1.00 0.00 O +ATOM 1899 H1 WAT 277 55.704 55.777 34.770 1.00 0.00 H +ATOM 1900 H2 WAT 277 55.254 54.962 33.576 1.00 0.00 H +TER +ATOM 1901 O WAT 278 54.671 54.486 44.354 1.00 0.00 O +ATOM 1902 H1 WAT 278 55.318 53.936 43.913 1.00 0.00 H +ATOM 1903 H2 WAT 278 55.091 54.741 45.175 1.00 0.00 H +TER +ATOM 1904 O WAT 279 54.424 54.642 47.096 1.00 0.00 O +ATOM 1905 H1 WAT 279 54.075 55.098 47.862 1.00 0.00 H +ATOM 1906 H2 WAT 279 54.093 53.748 47.179 1.00 0.00 H +TER +ATOM 1907 O WAT 280 61.936 55.833 50.618 1.00 0.00 O +ATOM 1908 H1 WAT 280 61.875 56.425 51.368 1.00 0.00 H +ATOM 1909 H2 WAT 280 62.876 55.726 50.473 1.00 0.00 H +TER +ATOM 1910 O WAT 281 64.574 55.490 50.257 1.00 0.00 O +ATOM 1911 H1 WAT 281 65.188 55.808 49.596 1.00 0.00 H +ATOM 1912 H2 WAT 281 65.119 55.005 50.877 1.00 0.00 H +TER +ATOM 1913 O WAT 282 55.096 54.170 50.371 1.00 0.00 O +ATOM 1914 H1 WAT 282 55.644 53.988 49.608 1.00 0.00 H +ATOM 1915 H2 WAT 282 55.161 53.379 50.907 1.00 0.00 H +TER +ATOM 1916 O WAT 283 65.315 54.053 46.584 1.00 0.00 O +ATOM 1917 H1 WAT 283 64.440 54.387 46.382 1.00 0.00 H +ATOM 1918 H2 WAT 283 65.206 53.581 47.410 1.00 0.00 H +TER +ATOM 1919 O WAT 284 63.062 54.970 45.524 1.00 0.00 O +ATOM 1920 H1 WAT 284 62.279 55.445 45.803 1.00 0.00 H +ATOM 1921 H2 WAT 284 62.768 54.066 45.415 1.00 0.00 H +TER +ATOM 1922 O WAT 285 54.406 55.275 38.045 1.00 0.00 O +ATOM 1923 H1 WAT 285 55.164 55.388 37.471 1.00 0.00 H +ATOM 1924 H2 WAT 285 53.944 56.112 37.999 1.00 0.00 H +TER +ATOM 1925 O WAT 286 60.947 57.389 41.035 1.00 0.00 O +ATOM 1926 H1 WAT 286 60.135 57.015 40.695 1.00 0.00 H +ATOM 1927 H2 WAT 286 61.452 56.633 41.337 1.00 0.00 H +TER +ATOM 1928 O WAT 287 56.779 55.801 36.585 1.00 0.00 O +ATOM 1929 H1 WAT 287 57.308 55.014 36.456 1.00 0.00 H +ATOM 1930 H2 WAT 287 57.411 56.481 36.819 1.00 0.00 H +TER +ATOM 1931 O WAT 288 58.972 55.539 39.640 1.00 0.00 O +ATOM 1932 H1 WAT 288 58.343 54.838 39.807 1.00 0.00 H +ATOM 1933 H2 WAT 288 58.433 56.299 39.423 1.00 0.00 H +TER +ATOM 1934 O WAT 289 59.098 54.817 52.075 1.00 0.00 O +ATOM 1935 H1 WAT 289 58.816 55.321 51.311 1.00 0.00 H +ATOM 1936 H2 WAT 289 59.480 54.020 51.709 1.00 0.00 H +TER +ATOM 1937 O WAT 290 64.605 62.252 23.017 1.00 0.00 O +ATOM 1938 H1 WAT 290 64.525 61.337 22.746 1.00 0.00 H +ATOM 1939 H2 WAT 290 64.192 62.749 22.311 1.00 0.00 H +TER +ATOM 1940 O WAT 291 62.737 64.030 24.897 1.00 0.00 O +ATOM 1941 H1 WAT 291 61.961 63.550 25.187 1.00 0.00 H +ATOM 1942 H2 WAT 291 63.388 63.350 24.723 1.00 0.00 H +TER +ATOM 1943 O WAT 292 56.754 64.342 25.775 1.00 0.00 O +ATOM 1944 H1 WAT 292 55.922 64.087 26.175 1.00 0.00 H +ATOM 1945 H2 WAT 292 57.362 64.413 26.511 1.00 0.00 H +TER +ATOM 1946 O WAT 293 55.163 59.302 19.559 1.00 0.00 O +ATOM 1947 H1 WAT 293 54.274 59.644 19.457 1.00 0.00 H +ATOM 1948 H2 WAT 293 55.447 59.102 18.667 1.00 0.00 H +TER +ATOM 1949 O WAT 294 53.126 61.903 25.443 1.00 0.00 O +ATOM 1950 H1 WAT 294 53.698 61.135 25.444 1.00 0.00 H +ATOM 1951 H2 WAT 294 53.126 62.201 24.534 1.00 0.00 H +TER +ATOM 1952 O WAT 295 62.178 66.706 24.905 1.00 0.00 O +ATOM 1953 H1 WAT 295 62.109 65.765 24.743 1.00 0.00 H +ATOM 1954 H2 WAT 295 62.940 66.796 25.477 1.00 0.00 H +TER +ATOM 1955 O WAT 296 54.369 57.311 27.230 1.00 0.00 O +ATOM 1956 H1 WAT 296 54.189 56.414 27.510 1.00 0.00 H +ATOM 1957 H2 WAT 296 53.967 57.858 27.905 1.00 0.00 H +TER +ATOM 1958 O WAT 297 63.208 59.513 25.131 1.00 0.00 O +ATOM 1959 H1 WAT 297 63.585 58.640 25.019 1.00 0.00 H +ATOM 1960 H2 WAT 297 63.110 59.849 24.240 1.00 0.00 H +TER +ATOM 1961 O WAT 298 57.339 57.885 20.593 1.00 0.00 O +ATOM 1962 H1 WAT 298 57.446 58.786 20.900 1.00 0.00 H +ATOM 1963 H2 WAT 298 56.428 57.837 20.303 1.00 0.00 H +TER +ATOM 1964 O WAT 299 54.987 59.807 25.838 1.00 0.00 O +ATOM 1965 H1 WAT 299 55.668 60.071 26.457 1.00 0.00 H +ATOM 1966 H2 WAT 299 54.672 58.967 26.172 1.00 0.00 H +TER +ATOM 1967 O WAT 300 59.180 60.854 24.926 1.00 0.00 O +ATOM 1968 H1 WAT 300 59.688 61.352 25.566 1.00 0.00 H +ATOM 1969 H2 WAT 300 59.711 60.077 24.750 1.00 0.00 H +TER +ATOM 1970 O WAT 301 57.463 55.494 29.192 1.00 0.00 O +ATOM 1971 H1 WAT 301 57.465 56.011 28.387 1.00 0.00 H +ATOM 1972 H2 WAT 301 56.634 55.017 29.169 1.00 0.00 H +TER +ATOM 1973 O WAT 302 63.850 65.606 20.691 1.00 0.00 O +ATOM 1974 H1 WAT 302 63.232 66.071 20.127 1.00 0.00 H +ATOM 1975 H2 WAT 302 64.363 66.298 21.108 1.00 0.00 H +TER +ATOM 1976 O WAT 303 58.714 65.133 27.369 1.00 0.00 O +ATOM 1977 H1 WAT 303 58.381 65.760 28.011 1.00 0.00 H +ATOM 1978 H2 WAT 303 58.890 65.659 26.590 1.00 0.00 H +TER +ATOM 1979 O WAT 304 57.145 57.205 27.199 1.00 0.00 O +ATOM 1980 H1 WAT 304 57.487 58.049 26.904 1.00 0.00 H +ATOM 1981 H2 WAT 304 56.206 57.353 27.316 1.00 0.00 H +TER +ATOM 1982 O WAT 305 57.926 67.101 29.184 1.00 0.00 O +ATOM 1983 H1 WAT 305 58.543 67.776 28.903 1.00 0.00 H +ATOM 1984 H2 WAT 305 57.065 67.510 29.093 1.00 0.00 H +TER +ATOM 1985 O WAT 306 53.219 66.291 18.065 1.00 0.00 O +ATOM 1986 H1 WAT 306 52.842 66.780 17.333 1.00 0.00 H +ATOM 1987 H2 WAT 306 53.476 66.964 18.696 1.00 0.00 H +TER +ATOM 1988 O WAT 307 60.828 54.693 23.524 1.00 0.00 O +ATOM 1989 H1 WAT 307 61.135 54.138 22.807 1.00 0.00 H +ATOM 1990 H2 WAT 307 59.898 54.827 23.341 1.00 0.00 H +TER +ATOM 1991 O WAT 308 63.216 62.758 20.260 1.00 0.00 O +ATOM 1992 H1 WAT 308 62.289 62.692 20.488 1.00 0.00 H +ATOM 1993 H2 WAT 308 63.368 63.696 20.145 1.00 0.00 H +TER +ATOM 1994 O WAT 309 63.203 59.030 17.256 1.00 0.00 O +ATOM 1995 H1 WAT 309 62.263 59.191 17.341 1.00 0.00 H +ATOM 1996 H2 WAT 309 63.521 59.748 16.710 1.00 0.00 H +TER +ATOM 1997 O WAT 310 58.821 63.284 23.041 1.00 0.00 O +ATOM 1998 H1 WAT 310 58.417 62.572 22.546 1.00 0.00 H +ATOM 1999 H2 WAT 310 58.908 62.940 23.930 1.00 0.00 H +TER +ATOM 2000 O WAT 311 59.290 66.971 25.205 1.00 0.00 O +ATOM 2001 H1 WAT 311 58.992 66.366 24.526 1.00 0.00 H +ATOM 2002 H2 WAT 311 60.240 67.009 25.094 1.00 0.00 H +TER +ATOM 2003 O WAT 312 57.534 60.059 26.821 1.00 0.00 O +ATOM 2004 H1 WAT 312 58.086 60.168 26.047 1.00 0.00 H +ATOM 2005 H2 WAT 312 58.049 60.432 27.537 1.00 0.00 H +TER +ATOM 2006 O WAT 313 58.381 66.709 31.856 1.00 0.00 O +ATOM 2007 H1 WAT 313 57.484 66.933 32.104 1.00 0.00 H +ATOM 2008 H2 WAT 313 58.407 66.833 30.907 1.00 0.00 H +TER +ATOM 2009 O WAT 314 57.209 63.581 30.432 1.00 0.00 O +ATOM 2010 H1 WAT 314 57.069 64.453 30.801 1.00 0.00 H +ATOM 2011 H2 WAT 314 56.327 63.238 30.287 1.00 0.00 H +TER +ATOM 2012 O WAT 315 55.522 62.179 20.542 1.00 0.00 O +ATOM 2013 H1 WAT 315 55.402 62.905 19.930 1.00 0.00 H +ATOM 2014 H2 WAT 315 55.212 61.409 20.065 1.00 0.00 H +TER +ATOM 2015 O WAT 316 53.160 65.350 26.349 1.00 0.00 O +ATOM 2016 H1 WAT 316 53.238 65.485 25.405 1.00 0.00 H +ATOM 2017 H2 WAT 316 53.775 64.642 26.542 1.00 0.00 H +TER +ATOM 2018 O WAT 317 54.405 67.050 22.760 1.00 0.00 O +ATOM 2019 H1 WAT 317 53.998 67.192 21.905 1.00 0.00 H +ATOM 2020 H2 WAT 317 55.296 66.766 22.557 1.00 0.00 H +TER +ATOM 2021 O WAT 318 53.216 66.392 28.888 1.00 0.00 O +ATOM 2022 H1 WAT 318 53.379 65.922 28.070 1.00 0.00 H +ATOM 2023 H2 WAT 318 53.682 65.884 29.553 1.00 0.00 H +TER +ATOM 2024 O WAT 319 57.988 55.522 23.925 1.00 0.00 O +ATOM 2025 H1 WAT 319 57.545 56.303 23.593 1.00 0.00 H +ATOM 2026 H2 WAT 319 58.547 55.845 24.632 1.00 0.00 H +TER +ATOM 2027 O WAT 320 62.275 58.389 29.528 1.00 0.00 O +ATOM 2028 H1 WAT 320 61.813 58.597 30.340 1.00 0.00 H +ATOM 2029 H2 WAT 320 61.873 57.575 29.225 1.00 0.00 H +TER +ATOM 2030 O WAT 321 64.371 61.110 32.758 1.00 0.00 O +ATOM 2031 H1 WAT 321 64.696 60.277 32.418 1.00 0.00 H +ATOM 2032 H2 WAT 321 65.159 61.633 32.905 1.00 0.00 H +TER +ATOM 2033 O WAT 322 61.104 55.143 18.805 1.00 0.00 O +ATOM 2034 H1 WAT 322 60.480 55.139 19.530 1.00 0.00 H +ATOM 2035 H2 WAT 322 61.017 54.276 18.409 1.00 0.00 H +TER +ATOM 2036 O WAT 323 60.026 56.067 25.783 1.00 0.00 O +ATOM 2037 H1 WAT 323 60.323 56.973 25.703 1.00 0.00 H +ATOM 2038 H2 WAT 323 60.574 55.579 25.169 1.00 0.00 H +TER +ATOM 2039 O WAT 324 57.780 60.646 21.653 1.00 0.00 O +ATOM 2040 H1 WAT 324 57.554 60.429 22.557 1.00 0.00 H +ATOM 2041 H2 WAT 324 56.999 61.078 21.307 1.00 0.00 H +TER +ATOM 2042 O WAT 325 65.009 60.652 20.252 1.00 0.00 O +ATOM 2043 H1 WAT 325 64.410 61.376 20.068 1.00 0.00 H +ATOM 2044 H2 WAT 325 65.557 60.590 19.469 1.00 0.00 H +TER +ATOM 2045 O WAT 326 60.220 61.544 32.319 1.00 0.00 O +ATOM 2046 H1 WAT 326 60.124 60.604 32.169 1.00 0.00 H +ATOM 2047 H2 WAT 326 61.063 61.766 31.923 1.00 0.00 H +TER +ATOM 2048 O WAT 327 63.616 59.288 22.282 1.00 0.00 O +ATOM 2049 H1 WAT 327 64.009 59.606 21.469 1.00 0.00 H +ATOM 2050 H2 WAT 327 63.978 58.410 22.396 1.00 0.00 H +TER +ATOM 2051 O WAT 328 55.351 57.956 30.472 1.00 0.00 O +ATOM 2052 H1 WAT 328 54.957 58.803 30.679 1.00 0.00 H +ATOM 2053 H2 WAT 328 54.662 57.318 30.663 1.00 0.00 H +TER +ATOM 2054 O WAT 329 61.925 58.039 33.542 1.00 0.00 O +ATOM 2055 H1 WAT 329 61.235 57.846 34.176 1.00 0.00 H +ATOM 2056 H2 WAT 329 62.668 58.323 34.074 1.00 0.00 H +TER +ATOM 2057 O WAT 330 52.652 55.878 24.505 1.00 0.00 O +ATOM 2058 H1 WAT 330 52.364 56.449 25.218 1.00 0.00 H +ATOM 2059 H2 WAT 330 53.397 55.399 24.868 1.00 0.00 H +TER +ATOM 2060 O WAT 331 52.839 59.820 15.715 1.00 0.00 O +ATOM 2061 H1 WAT 331 52.757 60.764 15.857 1.00 0.00 H +ATOM 2062 H2 WAT 331 52.488 59.678 14.837 1.00 0.00 H +TER +ATOM 2063 O WAT 332 64.201 61.879 26.377 1.00 0.00 O +ATOM 2064 H1 WAT 332 63.470 62.388 26.726 1.00 0.00 H +ATOM 2065 H2 WAT 332 63.804 61.062 26.076 1.00 0.00 H +TER +ATOM 2066 O WAT 333 60.639 58.554 24.782 1.00 0.00 O +ATOM 2067 H1 WAT 333 60.643 58.113 23.933 1.00 0.00 H +ATOM 2068 H2 WAT 333 61.534 58.876 24.890 1.00 0.00 H +TER +ATOM 2069 O WAT 334 56.489 58.437 23.742 1.00 0.00 O +ATOM 2070 H1 WAT 334 56.149 58.914 24.498 1.00 0.00 H +ATOM 2071 H2 WAT 334 55.727 57.983 23.382 1.00 0.00 H +TER +ATOM 2072 O WAT 335 60.701 59.556 17.773 1.00 0.00 O +ATOM 2073 H1 WAT 335 60.822 59.514 18.722 1.00 0.00 H +ATOM 2074 H2 WAT 335 60.316 60.418 17.618 1.00 0.00 H +TER +ATOM 2075 O WAT 336 64.664 57.332 25.789 1.00 0.00 O +ATOM 2076 H1 WAT 336 64.681 57.783 26.634 1.00 0.00 H +ATOM 2077 H2 WAT 336 64.416 56.433 26.003 1.00 0.00 H +TER +ATOM 2078 O WAT 337 59.713 61.866 17.171 1.00 0.00 O +ATOM 2079 H1 WAT 337 59.145 61.417 16.545 1.00 0.00 H +ATOM 2080 H2 WAT 337 60.422 62.225 16.638 1.00 0.00 H +TER +ATOM 2081 O WAT 338 54.790 65.767 31.048 1.00 0.00 O +ATOM 2082 H1 WAT 338 54.406 65.126 31.646 1.00 0.00 H +ATOM 2083 H2 WAT 338 55.101 66.470 31.618 1.00 0.00 H +TER +ATOM 2084 O WAT 339 60.940 62.615 26.529 1.00 0.00 O +ATOM 2085 H1 WAT 339 61.307 62.140 27.275 1.00 0.00 H +ATOM 2086 H2 WAT 339 60.750 63.489 26.870 1.00 0.00 H +TER +ATOM 2087 O WAT 340 53.804 57.359 22.658 1.00 0.00 O +ATOM 2088 H1 WAT 340 53.519 56.994 23.496 1.00 0.00 H +ATOM 2089 H2 WAT 340 53.742 56.627 22.045 1.00 0.00 H +TER +ATOM 2090 O WAT 341 58.730 61.655 28.847 1.00 0.00 O +ATOM 2091 H1 WAT 341 58.426 62.535 29.072 1.00 0.00 H +ATOM 2092 H2 WAT 341 59.685 61.715 28.883 1.00 0.00 H +TER +ATOM 2093 O WAT 342 57.258 65.861 19.444 1.00 0.00 O +ATOM 2094 H1 WAT 342 56.484 65.321 19.284 1.00 0.00 H +ATOM 2095 H2 WAT 342 57.988 65.342 19.106 1.00 0.00 H +TER +ATOM 2096 O WAT 343 63.478 56.252 19.380 1.00 0.00 O +ATOM 2097 H1 WAT 343 62.664 55.753 19.304 1.00 0.00 H +ATOM 2098 H2 WAT 343 63.284 57.092 18.963 1.00 0.00 H +TER +ATOM 2099 O WAT 344 63.399 64.929 31.124 1.00 0.00 O +ATOM 2100 H1 WAT 344 63.332 64.008 30.869 1.00 0.00 H +ATOM 2101 H2 WAT 344 62.769 65.026 31.838 1.00 0.00 H +TER +ATOM 2102 O WAT 345 57.302 65.530 23.082 1.00 0.00 O +ATOM 2103 H1 WAT 345 57.820 64.726 23.028 1.00 0.00 H +ATOM 2104 H2 WAT 345 56.850 65.467 23.924 1.00 0.00 H +TER +ATOM 2105 O WAT 346 62.189 66.796 18.355 1.00 0.00 O +ATOM 2106 H1 WAT 346 62.530 67.540 17.859 1.00 0.00 H +ATOM 2107 H2 WAT 346 61.360 67.109 18.717 1.00 0.00 H +TER +ATOM 2108 O WAT 347 54.786 62.496 29.994 1.00 0.00 O +ATOM 2109 H1 WAT 347 54.428 63.161 30.582 1.00 0.00 H +ATOM 2110 H2 WAT 347 54.492 61.664 30.366 1.00 0.00 H +TER +ATOM 2111 O WAT 348 57.988 62.954 32.878 1.00 0.00 O +ATOM 2112 H1 WAT 348 57.688 63.100 31.981 1.00 0.00 H +ATOM 2113 H2 WAT 348 58.759 62.395 32.786 1.00 0.00 H +TER +ATOM 2114 O WAT 349 63.330 67.751 30.874 1.00 0.00 O +ATOM 2115 H1 WAT 349 63.345 66.819 30.656 1.00 0.00 H +ATOM 2116 H2 WAT 349 62.623 67.837 31.513 1.00 0.00 H +TER +ATOM 2117 O WAT 350 65.072 66.118 23.719 1.00 0.00 O +ATOM 2118 H1 WAT 350 65.424 65.521 23.059 1.00 0.00 H +ATOM 2119 H2 WAT 350 64.188 65.792 23.890 1.00 0.00 H +TER +ATOM 2120 O WAT 351 61.158 66.877 21.126 1.00 0.00 O +ATOM 2121 H1 WAT 351 61.845 67.424 21.507 1.00 0.00 H +ATOM 2122 H2 WAT 351 60.371 67.422 21.161 1.00 0.00 H +TER +ATOM 2123 O WAT 352 53.297 62.495 16.618 1.00 0.00 O +ATOM 2124 H1 WAT 352 54.167 62.777 16.902 1.00 0.00 H +ATOM 2125 H2 WAT 352 52.806 63.308 16.503 1.00 0.00 H +TER +ATOM 2126 O WAT 353 60.461 63.882 20.739 1.00 0.00 O +ATOM 2127 H1 WAT 353 60.917 64.693 20.965 1.00 0.00 H +ATOM 2128 H2 WAT 353 60.109 63.564 21.571 1.00 0.00 H +TER +ATOM 2129 O WAT 354 56.362 54.226 21.211 1.00 0.00 O +ATOM 2130 H1 WAT 354 56.233 54.218 22.160 1.00 0.00 H +ATOM 2131 H2 WAT 354 55.538 54.564 20.860 1.00 0.00 H +TER +ATOM 2132 O WAT 355 53.361 55.985 30.672 1.00 0.00 O +ATOM 2133 H1 WAT 355 52.647 56.185 31.277 1.00 0.00 H +ATOM 2134 H2 WAT 355 53.781 55.209 31.043 1.00 0.00 H +TER +ATOM 2135 O WAT 356 55.282 64.312 18.746 1.00 0.00 O +ATOM 2136 H1 WAT 356 54.675 65.052 18.756 1.00 0.00 H +ATOM 2137 H2 WAT 356 55.757 64.402 17.920 1.00 0.00 H +TER +ATOM 2138 O WAT 357 64.855 58.477 28.422 1.00 0.00 O +ATOM 2139 H1 WAT 357 65.223 57.657 28.750 1.00 0.00 H +ATOM 2140 H2 WAT 357 63.995 58.537 28.837 1.00 0.00 H +TER +ATOM 2141 O WAT 358 60.190 59.711 20.646 1.00 0.00 O +ATOM 2142 H1 WAT 358 59.481 60.180 21.088 1.00 0.00 H +ATOM 2143 H2 WAT 358 60.474 59.054 21.281 1.00 0.00 H +TER +ATOM 2144 O WAT 359 61.815 61.131 28.646 1.00 0.00 O +ATOM 2145 H1 WAT 359 62.314 61.606 29.311 1.00 0.00 H +ATOM 2146 H2 WAT 359 61.958 60.208 28.853 1.00 0.00 H +TER +ATOM 2147 O WAT 360 64.221 56.437 22.086 1.00 0.00 O +ATOM 2148 H1 WAT 360 64.098 56.455 21.137 1.00 0.00 H +ATOM 2149 H2 WAT 360 65.170 56.484 22.206 1.00 0.00 H +TER +ATOM 2150 O WAT 361 58.393 58.020 18.021 1.00 0.00 O +ATOM 2151 H1 WAT 361 59.242 58.457 17.955 1.00 0.00 H +ATOM 2152 H2 WAT 361 58.026 58.332 18.849 1.00 0.00 H +TER +ATOM 2153 O WAT 362 57.292 64.273 16.495 1.00 0.00 O +ATOM 2154 H1 WAT 362 58.059 64.161 17.058 1.00 0.00 H +ATOM 2155 H2 WAT 362 57.370 63.577 15.843 1.00 0.00 H +TER +ATOM 2156 O WAT 363 55.987 61.706 17.178 1.00 0.00 O +ATOM 2157 H1 WAT 363 56.067 60.758 17.290 1.00 0.00 H +ATOM 2158 H2 WAT 363 56.879 62.036 17.284 1.00 0.00 H +TER +ATOM 2159 O WAT 364 64.631 67.148 33.418 1.00 0.00 O +ATOM 2160 H1 WAT 364 64.025 67.171 32.677 1.00 0.00 H +ATOM 2161 H2 WAT 364 64.326 66.416 33.955 1.00 0.00 H +TER +ATOM 2162 O WAT 365 53.514 63.527 32.414 1.00 0.00 O +ATOM 2163 H1 WAT 365 54.018 62.948 32.986 1.00 0.00 H +ATOM 2164 H2 WAT 365 52.775 63.811 32.952 1.00 0.00 H +TER +ATOM 2165 O WAT 366 60.416 66.249 15.969 1.00 0.00 O +ATOM 2166 H1 WAT 366 60.311 65.634 16.695 1.00 0.00 H +ATOM 2167 H2 WAT 366 60.249 65.725 15.185 1.00 0.00 H +TER +ATOM 2168 O WAT 367 60.568 64.934 31.947 1.00 0.00 O +ATOM 2169 H1 WAT 367 59.802 65.503 31.863 1.00 0.00 H +ATOM 2170 H2 WAT 367 60.749 64.642 31.054 1.00 0.00 H +TER +ATOM 2171 O WAT 368 63.657 65.311 16.573 1.00 0.00 O +ATOM 2172 H1 WAT 368 63.108 65.758 17.217 1.00 0.00 H +ATOM 2173 H2 WAT 368 64.279 64.806 17.096 1.00 0.00 H +TER +ATOM 2174 O WAT 369 55.546 61.670 33.309 1.00 0.00 O +ATOM 2175 H1 WAT 369 55.587 61.372 34.217 1.00 0.00 H +ATOM 2176 H2 WAT 369 56.401 62.071 33.150 1.00 0.00 H +TER +ATOM 2177 O WAT 370 59.324 64.270 18.469 1.00 0.00 O +ATOM 2178 H1 WAT 370 59.746 64.104 19.312 1.00 0.00 H +ATOM 2179 H2 WAT 370 59.449 63.460 17.975 1.00 0.00 H +TER +ATOM 2180 O WAT 371 57.487 60.249 31.276 1.00 0.00 O +ATOM 2181 H1 WAT 371 56.957 59.758 30.649 1.00 0.00 H +ATOM 2182 H2 WAT 371 58.156 60.678 30.742 1.00 0.00 H +TER +ATOM 2183 O WAT 372 61.837 63.294 15.717 1.00 0.00 O +ATOM 2184 H1 WAT 372 62.358 62.578 15.351 1.00 0.00 H +ATOM 2185 H2 WAT 372 62.484 63.932 16.017 1.00 0.00 H +TER +ATOM 2186 O WAT 373 57.974 57.216 31.356 1.00 0.00 O +ATOM 2187 H1 WAT 373 57.880 56.598 30.631 1.00 0.00 H +ATOM 2188 H2 WAT 373 57.394 57.942 31.129 1.00 0.00 H +TER +ATOM 2189 O WAT 374 60.740 55.773 28.389 1.00 0.00 O +ATOM 2190 H1 WAT 374 60.292 55.795 27.543 1.00 0.00 H +ATOM 2191 H2 WAT 374 60.107 55.375 28.986 1.00 0.00 H +TER +ATOM 2192 O WAT 375 61.146 64.668 29.010 1.00 0.00 O +ATOM 2193 H1 WAT 375 61.565 65.512 28.838 1.00 0.00 H +ATOM 2194 H2 WAT 375 60.227 64.806 28.781 1.00 0.00 H +TER +ATOM 2195 O WAT 376 63.483 62.400 30.394 1.00 0.00 O +ATOM 2196 H1 WAT 376 63.602 61.804 31.133 1.00 0.00 H +ATOM 2197 H2 WAT 376 64.342 62.437 29.974 1.00 0.00 H +TER +ATOM 2198 O WAT 377 58.220 60.343 15.415 1.00 0.00 O +ATOM 2199 H1 WAT 377 58.019 59.480 15.776 1.00 0.00 H +ATOM 2200 H2 WAT 377 58.049 60.256 14.477 1.00 0.00 H +TER +ATOM 2201 O WAT 378 60.250 58.942 31.651 1.00 0.00 O +ATOM 2202 H1 WAT 378 60.839 58.634 32.339 1.00 0.00 H +ATOM 2203 H2 WAT 378 59.432 58.470 31.807 1.00 0.00 H +TER +ATOM 2204 O WAT 379 57.018 57.443 15.403 1.00 0.00 O +ATOM 2205 H1 WAT 379 57.321 57.450 14.495 1.00 0.00 H +ATOM 2206 H2 WAT 379 57.758 57.093 15.900 1.00 0.00 H +TER +ATOM 2207 O WAT 380 60.237 56.387 16.388 1.00 0.00 O +ATOM 2208 H1 WAT 380 59.889 55.709 15.809 1.00 0.00 H +ATOM 2209 H2 WAT 380 60.438 55.926 17.203 1.00 0.00 H +TER +ATOM 2210 O WAT 381 56.041 66.747 16.236 1.00 0.00 O +ATOM 2211 H1 WAT 381 56.479 67.290 16.892 1.00 0.00 H +ATOM 2212 H2 WAT 381 56.526 65.922 16.245 1.00 0.00 H +TER +ATOM 2213 O WAT 382 57.852 67.867 21.348 1.00 0.00 O +ATOM 2214 H1 WAT 382 57.552 67.744 22.248 1.00 0.00 H +ATOM 2215 H2 WAT 382 57.746 67.008 20.940 1.00 0.00 H +TER +ATOM 2216 O WAT 383 53.577 62.915 22.785 1.00 0.00 O +ATOM 2217 H1 WAT 383 52.922 62.647 22.141 1.00 0.00 H +ATOM 2218 H2 WAT 383 54.415 62.806 22.335 1.00 0.00 H +TER +ATOM 2219 O WAT 384 54.615 63.301 27.325 1.00 0.00 O +ATOM 2220 H1 WAT 384 54.982 63.213 28.205 1.00 0.00 H +ATOM 2221 H2 WAT 384 54.046 62.537 27.226 1.00 0.00 H +TER +ATOM 2222 O WAT 385 54.167 60.212 31.231 1.00 0.00 O +ATOM 2223 H1 WAT 385 53.272 60.178 31.570 1.00 0.00 H +ATOM 2224 H2 WAT 385 54.706 60.410 31.996 1.00 0.00 H +TER +ATOM 2225 O WAT 386 52.791 60.125 18.727 1.00 0.00 O +ATOM 2226 H1 WAT 386 51.888 60.388 18.553 1.00 0.00 H +ATOM 2227 H2 WAT 386 53.275 60.396 17.947 1.00 0.00 H +TER +ATOM 2228 O WAT 387 55.334 59.182 16.637 1.00 0.00 O +ATOM 2229 H1 WAT 387 56.043 58.760 16.152 1.00 0.00 H +ATOM 2230 H2 WAT 387 54.618 59.249 16.005 1.00 0.00 H +TER +ATOM 2231 O WAT 388 54.981 55.236 15.677 1.00 0.00 O +ATOM 2232 H1 WAT 388 55.704 55.777 15.995 1.00 0.00 H +ATOM 2233 H2 WAT 388 55.254 54.962 14.801 1.00 0.00 H +TER +ATOM 2234 O WAT 389 54.671 54.486 25.579 1.00 0.00 O +ATOM 2235 H1 WAT 389 55.318 53.936 25.139 1.00 0.00 H +ATOM 2236 H2 WAT 389 55.091 54.741 26.401 1.00 0.00 H +TER +ATOM 2237 O WAT 390 54.424 54.642 28.322 1.00 0.00 O +ATOM 2238 H1 WAT 390 54.075 55.098 29.088 1.00 0.00 H +ATOM 2239 H2 WAT 390 54.093 53.748 28.404 1.00 0.00 H +TER +ATOM 2240 O WAT 391 61.936 55.833 31.844 1.00 0.00 O +ATOM 2241 H1 WAT 391 61.875 56.425 32.593 1.00 0.00 H +ATOM 2242 H2 WAT 391 62.876 55.726 31.699 1.00 0.00 H +TER +ATOM 2243 O WAT 392 64.574 55.490 31.483 1.00 0.00 O +ATOM 2244 H1 WAT 392 65.188 55.808 30.821 1.00 0.00 H +ATOM 2245 H2 WAT 392 65.119 55.005 32.103 1.00 0.00 H +TER +ATOM 2246 O WAT 393 55.096 54.170 31.597 1.00 0.00 O +ATOM 2247 H1 WAT 393 55.644 53.988 30.834 1.00 0.00 H +ATOM 2248 H2 WAT 393 55.161 53.379 32.133 1.00 0.00 H +TER +ATOM 2249 O WAT 394 65.315 54.053 27.810 1.00 0.00 O +ATOM 2250 H1 WAT 394 64.440 54.387 27.607 1.00 0.00 H +ATOM 2251 H2 WAT 394 65.206 53.581 28.635 1.00 0.00 H +TER +ATOM 2252 O WAT 395 63.062 54.970 26.749 1.00 0.00 O +ATOM 2253 H1 WAT 395 62.279 55.445 27.029 1.00 0.00 H +ATOM 2254 H2 WAT 395 62.768 54.066 26.641 1.00 0.00 H +TER +ATOM 2255 O WAT 396 54.406 55.275 19.271 1.00 0.00 O +ATOM 2256 H1 WAT 396 55.164 55.388 18.697 1.00 0.00 H +ATOM 2257 H2 WAT 396 53.944 56.112 19.225 1.00 0.00 H +TER +ATOM 2258 O WAT 397 60.947 57.389 22.261 1.00 0.00 O +ATOM 2259 H1 WAT 397 60.135 57.015 21.921 1.00 0.00 H +ATOM 2260 H2 WAT 397 61.452 56.633 22.563 1.00 0.00 H +TER +ATOM 2261 O WAT 398 56.779 55.801 17.811 1.00 0.00 O +ATOM 2262 H1 WAT 398 57.308 55.014 17.682 1.00 0.00 H +ATOM 2263 H2 WAT 398 57.411 56.481 18.044 1.00 0.00 H +TER +ATOM 2264 O WAT 399 58.972 55.539 20.865 1.00 0.00 O +ATOM 2265 H1 WAT 399 58.343 54.838 21.032 1.00 0.00 H +ATOM 2266 H2 WAT 399 58.433 56.299 20.649 1.00 0.00 H +TER +ATOM 2267 O WAT 400 59.098 54.817 33.301 1.00 0.00 O +ATOM 2268 H1 WAT 400 58.816 55.321 32.537 1.00 0.00 H +ATOM 2269 H2 WAT 400 59.480 54.020 32.935 1.00 0.00 H +TER +ATOM 2270 O WAT 401 64.605 62.252 4.242 1.00 0.00 O +ATOM 2271 H1 WAT 401 64.525 61.337 3.971 1.00 0.00 H +ATOM 2272 H2 WAT 401 64.192 62.749 3.536 1.00 0.00 H +TER +ATOM 2273 O WAT 402 62.737 64.030 6.123 1.00 0.00 O +ATOM 2274 H1 WAT 402 61.961 63.550 6.413 1.00 0.00 H +ATOM 2275 H2 WAT 402 63.388 63.350 5.949 1.00 0.00 H +TER +ATOM 2276 O WAT 403 56.754 64.342 7.001 1.00 0.00 O +ATOM 2277 H1 WAT 403 55.922 64.087 7.400 1.00 0.00 H +ATOM 2278 H2 WAT 403 57.362 64.413 7.737 1.00 0.00 H +TER +ATOM 2279 O WAT 404 53.126 61.903 6.669 1.00 0.00 O +ATOM 2280 H1 WAT 404 53.698 61.135 6.669 1.00 0.00 H +ATOM 2281 H2 WAT 404 53.126 62.201 5.760 1.00 0.00 H +TER +ATOM 2282 O WAT 405 62.178 66.706 6.130 1.00 0.00 O +ATOM 2283 H1 WAT 405 62.109 65.765 5.969 1.00 0.00 H +ATOM 2284 H2 WAT 405 62.940 66.796 6.702 1.00 0.00 H +TER +ATOM 2285 O WAT 406 54.369 57.311 8.456 1.00 0.00 O +ATOM 2286 H1 WAT 406 54.189 56.414 8.736 1.00 0.00 H +ATOM 2287 H2 WAT 406 53.967 57.858 9.131 1.00 0.00 H +TER +ATOM 2288 O WAT 407 63.208 59.513 6.357 1.00 0.00 O +ATOM 2289 H1 WAT 407 63.585 58.640 6.244 1.00 0.00 H +ATOM 2290 H2 WAT 407 63.110 59.849 5.466 1.00 0.00 H +TER +ATOM 2291 O WAT 408 54.987 59.807 7.064 1.00 0.00 O +ATOM 2292 H1 WAT 408 55.668 60.071 7.683 1.00 0.00 H +ATOM 2293 H2 WAT 408 54.672 58.967 7.398 1.00 0.00 H +TER +ATOM 2294 O WAT 409 59.180 60.854 6.151 1.00 0.00 O +ATOM 2295 H1 WAT 409 59.688 61.352 6.792 1.00 0.00 H +ATOM 2296 H2 WAT 409 59.711 60.077 5.975 1.00 0.00 H +TER +ATOM 2297 O WAT 410 57.463 55.494 10.418 1.00 0.00 O +ATOM 2298 H1 WAT 410 57.465 56.011 9.612 1.00 0.00 H +ATOM 2299 H2 WAT 410 56.634 55.017 10.395 1.00 0.00 H +TER +ATOM 2300 O WAT 411 58.714 65.133 8.595 1.00 0.00 O +ATOM 2301 H1 WAT 411 58.381 65.760 9.237 1.00 0.00 H +ATOM 2302 H2 WAT 411 58.890 65.659 7.815 1.00 0.00 H +TER +ATOM 2303 O WAT 412 57.145 57.205 8.425 1.00 0.00 O +ATOM 2304 H1 WAT 412 57.487 58.049 8.130 1.00 0.00 H +ATOM 2305 H2 WAT 412 56.206 57.353 8.541 1.00 0.00 H +TER +ATOM 2306 O WAT 413 57.926 67.101 10.410 1.00 0.00 O +ATOM 2307 H1 WAT 413 58.543 67.776 10.128 1.00 0.00 H +ATOM 2308 H2 WAT 413 57.065 67.510 10.319 1.00 0.00 H +TER +ATOM 2309 O WAT 414 60.828 54.693 4.749 1.00 0.00 O +ATOM 2310 H1 WAT 414 61.135 54.138 4.033 1.00 0.00 H +ATOM 2311 H2 WAT 414 59.898 54.827 4.566 1.00 0.00 H +TER +ATOM 2312 O WAT 415 58.821 63.284 4.267 1.00 0.00 O +ATOM 2313 H1 WAT 415 58.417 62.572 3.772 1.00 0.00 H +ATOM 2314 H2 WAT 415 58.908 62.940 5.156 1.00 0.00 H +TER +ATOM 2315 O WAT 416 59.290 66.971 6.431 1.00 0.00 O +ATOM 2316 H1 WAT 416 58.992 66.366 5.752 1.00 0.00 H +ATOM 2317 H2 WAT 416 60.240 67.009 6.320 1.00 0.00 H +TER +ATOM 2318 O WAT 417 57.534 60.059 8.047 1.00 0.00 O +ATOM 2319 H1 WAT 417 58.086 60.168 7.272 1.00 0.00 H +ATOM 2320 H2 WAT 417 58.049 60.432 8.763 1.00 0.00 H +TER +ATOM 2321 O WAT 418 58.381 66.709 13.082 1.00 0.00 O +ATOM 2322 H1 WAT 418 57.484 66.933 13.329 1.00 0.00 H +ATOM 2323 H2 WAT 418 58.407 66.833 12.133 1.00 0.00 H +TER +ATOM 2324 O WAT 419 57.209 63.581 11.658 1.00 0.00 O +ATOM 2325 H1 WAT 419 57.069 64.453 12.026 1.00 0.00 H +ATOM 2326 H2 WAT 419 56.327 63.238 11.512 1.00 0.00 H +TER +ATOM 2327 O WAT 420 53.160 65.350 7.575 1.00 0.00 O +ATOM 2328 H1 WAT 420 53.238 65.485 6.630 1.00 0.00 H +ATOM 2329 H2 WAT 420 53.775 64.642 7.767 1.00 0.00 H +TER +ATOM 2330 O WAT 421 54.405 67.050 3.985 1.00 0.00 O +ATOM 2331 H1 WAT 421 53.998 67.192 3.131 1.00 0.00 H +ATOM 2332 H2 WAT 421 55.296 66.766 3.782 1.00 0.00 H +TER +ATOM 2333 O WAT 422 53.216 66.392 10.114 1.00 0.00 O +ATOM 2334 H1 WAT 422 53.379 65.922 9.296 1.00 0.00 H +ATOM 2335 H2 WAT 422 53.682 65.884 10.779 1.00 0.00 H +TER +ATOM 2336 O WAT 423 57.988 55.522 5.150 1.00 0.00 O +ATOM 2337 H1 WAT 423 57.545 56.303 4.819 1.00 0.00 H +ATOM 2338 H2 WAT 423 58.547 55.845 5.857 1.00 0.00 H +TER +ATOM 2339 O WAT 424 62.275 58.389 10.754 1.00 0.00 O +ATOM 2340 H1 WAT 424 61.813 58.597 11.566 1.00 0.00 H +ATOM 2341 H2 WAT 424 61.873 57.575 10.451 1.00 0.00 H +TER +ATOM 2342 O WAT 425 64.371 61.110 13.983 1.00 0.00 O +ATOM 2343 H1 WAT 425 64.696 60.277 13.643 1.00 0.00 H +ATOM 2344 H2 WAT 425 65.159 61.633 14.131 1.00 0.00 H +TER +ATOM 2345 O WAT 426 60.026 56.067 7.009 1.00 0.00 O +ATOM 2346 H1 WAT 426 60.323 56.973 6.928 1.00 0.00 H +ATOM 2347 H2 WAT 426 60.574 55.579 6.395 1.00 0.00 H +TER +ATOM 2348 O WAT 427 57.780 60.646 2.878 1.00 0.00 O +ATOM 2349 H1 WAT 427 57.554 60.429 3.783 1.00 0.00 H +ATOM 2350 H2 WAT 427 56.999 61.078 2.533 1.00 0.00 H +TER +ATOM 2351 O WAT 428 60.220 61.544 13.544 1.00 0.00 O +ATOM 2352 H1 WAT 428 60.124 60.604 13.394 1.00 0.00 H +ATOM 2353 H2 WAT 428 61.063 61.766 13.149 1.00 0.00 H +TER +ATOM 2354 O WAT 429 63.616 59.288 3.508 1.00 0.00 O +ATOM 2355 H1 WAT 429 64.009 59.606 2.695 1.00 0.00 H +ATOM 2356 H2 WAT 429 63.978 58.410 3.622 1.00 0.00 H +TER +ATOM 2357 O WAT 430 55.351 57.956 11.698 1.00 0.00 O +ATOM 2358 H1 WAT 430 54.957 58.803 11.905 1.00 0.00 H +ATOM 2359 H2 WAT 430 54.662 57.318 11.889 1.00 0.00 H +TER +ATOM 2360 O WAT 431 61.925 58.039 14.767 1.00 0.00 O +ATOM 2361 H1 WAT 431 61.235 57.846 15.402 1.00 0.00 H +ATOM 2362 H2 WAT 431 62.668 58.323 15.300 1.00 0.00 H +TER +ATOM 2363 O WAT 432 52.652 55.878 5.731 1.00 0.00 O +ATOM 2364 H1 WAT 432 52.364 56.449 6.443 1.00 0.00 H +ATOM 2365 H2 WAT 432 53.397 55.399 6.094 1.00 0.00 H +TER +ATOM 2366 O WAT 433 64.201 61.879 7.603 1.00 0.00 O +ATOM 2367 H1 WAT 433 63.470 62.388 7.952 1.00 0.00 H +ATOM 2368 H2 WAT 433 63.804 61.062 7.302 1.00 0.00 H +TER +ATOM 2369 O WAT 434 60.639 58.554 6.008 1.00 0.00 O +ATOM 2370 H1 WAT 434 60.643 58.113 5.158 1.00 0.00 H +ATOM 2371 H2 WAT 434 61.534 58.876 6.115 1.00 0.00 H +TER +ATOM 2372 O WAT 435 56.489 58.437 4.967 1.00 0.00 O +ATOM 2373 H1 WAT 435 56.149 58.914 5.724 1.00 0.00 H +ATOM 2374 H2 WAT 435 55.727 57.983 4.608 1.00 0.00 H +TER +ATOM 2375 O WAT 436 64.664 57.332 7.015 1.00 0.00 O +ATOM 2376 H1 WAT 436 64.681 57.783 7.859 1.00 0.00 H +ATOM 2377 H2 WAT 436 64.416 56.433 7.228 1.00 0.00 H +TER +ATOM 2378 O WAT 437 54.790 65.767 12.274 1.00 0.00 O +ATOM 2379 H1 WAT 437 54.406 65.126 12.872 1.00 0.00 H +ATOM 2380 H2 WAT 437 55.101 66.470 12.843 1.00 0.00 H +TER +ATOM 2381 O WAT 438 60.940 62.615 7.755 1.00 0.00 O +ATOM 2382 H1 WAT 438 61.307 62.140 8.501 1.00 0.00 H +ATOM 2383 H2 WAT 438 60.750 63.489 8.095 1.00 0.00 H +TER +ATOM 2384 O WAT 439 53.804 57.359 3.884 1.00 0.00 O +ATOM 2385 H1 WAT 439 53.519 56.994 4.722 1.00 0.00 H +ATOM 2386 H2 WAT 439 53.742 56.627 3.270 1.00 0.00 H +TER +ATOM 2387 O WAT 440 58.730 61.655 10.073 1.00 0.00 O +ATOM 2388 H1 WAT 440 58.426 62.535 10.298 1.00 0.00 H +ATOM 2389 H2 WAT 440 59.685 61.715 10.109 1.00 0.00 H +TER +ATOM 2390 O WAT 441 63.399 64.929 12.349 1.00 0.00 O +ATOM 2391 H1 WAT 441 63.332 64.008 12.095 1.00 0.00 H +ATOM 2392 H2 WAT 441 62.769 65.026 13.064 1.00 0.00 H +TER +ATOM 2393 O WAT 442 57.302 65.530 4.308 1.00 0.00 O +ATOM 2394 H1 WAT 442 57.820 64.726 4.253 1.00 0.00 H +ATOM 2395 H2 WAT 442 56.850 65.467 5.149 1.00 0.00 H +TER +ATOM 2396 O WAT 443 54.786 62.496 11.220 1.00 0.00 O +ATOM 2397 H1 WAT 443 54.428 63.161 11.807 1.00 0.00 H +ATOM 2398 H2 WAT 443 54.492 61.664 11.591 1.00 0.00 H +TER +ATOM 2399 O WAT 444 57.988 62.954 14.104 1.00 0.00 O +ATOM 2400 H1 WAT 444 57.688 63.100 13.207 1.00 0.00 H +ATOM 2401 H2 WAT 444 58.759 62.395 14.011 1.00 0.00 H +TER +ATOM 2402 O WAT 445 63.330 67.751 12.100 1.00 0.00 O +ATOM 2403 H1 WAT 445 63.345 66.819 11.881 1.00 0.00 H +ATOM 2404 H2 WAT 445 62.623 67.837 12.739 1.00 0.00 H +TER +ATOM 2405 O WAT 446 65.072 66.118 4.945 1.00 0.00 O +ATOM 2406 H1 WAT 446 65.424 65.521 4.285 1.00 0.00 H +ATOM 2407 H2 WAT 446 64.188 65.792 5.116 1.00 0.00 H +TER +ATOM 2408 O WAT 447 61.158 66.877 2.352 1.00 0.00 O +ATOM 2409 H1 WAT 447 61.845 67.424 2.733 1.00 0.00 H +ATOM 2410 H2 WAT 447 60.371 67.422 2.387 1.00 0.00 H +TER +ATOM 2411 O WAT 448 56.362 54.226 2.437 1.00 0.00 O +ATOM 2412 H1 WAT 448 56.233 54.218 3.385 1.00 0.00 H +ATOM 2413 H2 WAT 448 55.538 54.564 2.086 1.00 0.00 H +TER +ATOM 2414 O WAT 449 53.361 55.985 11.897 1.00 0.00 O +ATOM 2415 H1 WAT 449 52.647 56.185 12.503 1.00 0.00 H +ATOM 2416 H2 WAT 449 53.781 55.209 12.269 1.00 0.00 H +TER +ATOM 2417 O WAT 450 64.855 58.477 9.647 1.00 0.00 O +ATOM 2418 H1 WAT 450 65.223 57.657 9.975 1.00 0.00 H +ATOM 2419 H2 WAT 450 63.995 58.537 10.063 1.00 0.00 H +TER +ATOM 2420 O WAT 451 61.815 61.131 9.871 1.00 0.00 O +ATOM 2421 H1 WAT 451 62.314 61.606 10.536 1.00 0.00 H +ATOM 2422 H2 WAT 451 61.958 60.208 10.078 1.00 0.00 H +TER +ATOM 2423 O WAT 452 64.221 56.437 3.312 1.00 0.00 O +ATOM 2424 H1 WAT 452 64.098 56.455 2.363 1.00 0.00 H +ATOM 2425 H2 WAT 452 65.170 56.484 3.431 1.00 0.00 H +TER +ATOM 2426 O WAT 453 64.631 67.148 14.643 1.00 0.00 O +ATOM 2427 H1 WAT 453 64.025 67.171 13.903 1.00 0.00 H +ATOM 2428 H2 WAT 453 64.326 66.416 15.180 1.00 0.00 H +TER +ATOM 2429 O WAT 454 53.514 63.527 13.640 1.00 0.00 O +ATOM 2430 H1 WAT 454 54.018 62.948 14.211 1.00 0.00 H +ATOM 2431 H2 WAT 454 52.775 63.811 14.177 1.00 0.00 H +TER +ATOM 2432 O WAT 455 60.568 64.934 13.173 1.00 0.00 O +ATOM 2433 H1 WAT 455 59.802 65.503 13.089 1.00 0.00 H +ATOM 2434 H2 WAT 455 60.749 64.642 12.280 1.00 0.00 H +TER +ATOM 2435 O WAT 456 55.546 61.670 14.535 1.00 0.00 O +ATOM 2436 H1 WAT 456 55.587 61.372 15.443 1.00 0.00 H +ATOM 2437 H2 WAT 456 56.401 62.071 14.375 1.00 0.00 H +TER +ATOM 2438 O WAT 457 57.487 60.249 12.502 1.00 0.00 O +ATOM 2439 H1 WAT 457 56.957 59.758 11.874 1.00 0.00 H +ATOM 2440 H2 WAT 457 58.156 60.678 11.968 1.00 0.00 H +TER +ATOM 2441 O WAT 458 57.974 57.216 12.582 1.00 0.00 O +ATOM 2442 H1 WAT 458 57.880 56.598 11.857 1.00 0.00 H +ATOM 2443 H2 WAT 458 57.394 57.942 12.355 1.00 0.00 H +TER +ATOM 2444 O WAT 459 60.740 55.773 9.614 1.00 0.00 O +ATOM 2445 H1 WAT 459 60.292 55.795 8.769 1.00 0.00 H +ATOM 2446 H2 WAT 459 60.107 55.375 10.212 1.00 0.00 H +TER +ATOM 2447 O WAT 460 61.146 64.668 10.236 1.00 0.00 O +ATOM 2448 H1 WAT 460 61.565 65.512 10.063 1.00 0.00 H +ATOM 2449 H2 WAT 460 60.227 64.806 10.006 1.00 0.00 H +TER +ATOM 2450 O WAT 461 63.483 62.400 11.620 1.00 0.00 O +ATOM 2451 H1 WAT 461 63.602 61.804 12.359 1.00 0.00 H +ATOM 2452 H2 WAT 461 64.342 62.437 11.200 1.00 0.00 H +TER +ATOM 2453 O WAT 462 60.250 58.942 12.877 1.00 0.00 O +ATOM 2454 H1 WAT 462 60.839 58.634 13.565 1.00 0.00 H +ATOM 2455 H2 WAT 462 59.432 58.470 13.033 1.00 0.00 H +TER +ATOM 2456 O WAT 463 57.852 67.867 2.574 1.00 0.00 O +ATOM 2457 H1 WAT 463 57.552 67.744 3.474 1.00 0.00 H +ATOM 2458 H2 WAT 463 57.746 67.008 2.165 1.00 0.00 H +TER +ATOM 2459 O WAT 464 53.577 62.915 4.011 1.00 0.00 O +ATOM 2460 H1 WAT 464 52.922 62.647 3.367 1.00 0.00 H +ATOM 2461 H2 WAT 464 54.415 62.806 3.561 1.00 0.00 H +TER +ATOM 2462 O WAT 465 54.615 63.301 8.551 1.00 0.00 O +ATOM 2463 H1 WAT 465 54.982 63.213 9.431 1.00 0.00 H +ATOM 2464 H2 WAT 465 54.046 62.537 8.452 1.00 0.00 H +TER +ATOM 2465 O WAT 466 54.167 60.212 12.457 1.00 0.00 O +ATOM 2466 H1 WAT 466 53.272 60.178 12.796 1.00 0.00 H +ATOM 2467 H2 WAT 466 54.706 60.410 13.222 1.00 0.00 H +TER +ATOM 2468 O WAT 467 54.671 54.486 6.805 1.00 0.00 O +ATOM 2469 H1 WAT 467 55.318 53.936 6.365 1.00 0.00 H +ATOM 2470 H2 WAT 467 55.091 54.741 7.627 1.00 0.00 H +TER +ATOM 2471 O WAT 468 54.424 54.642 9.548 1.00 0.00 O +ATOM 2472 H1 WAT 468 54.075 55.098 10.313 1.00 0.00 H +ATOM 2473 H2 WAT 468 54.093 53.748 9.630 1.00 0.00 H +TER +ATOM 2474 O WAT 469 61.936 55.833 13.070 1.00 0.00 O +ATOM 2475 H1 WAT 469 61.875 56.425 13.819 1.00 0.00 H +ATOM 2476 H2 WAT 469 62.876 55.726 12.925 1.00 0.00 H +TER +ATOM 2477 O WAT 470 64.574 55.490 12.709 1.00 0.00 O +ATOM 2478 H1 WAT 470 65.188 55.808 12.047 1.00 0.00 H +ATOM 2479 H2 WAT 470 65.119 55.005 13.328 1.00 0.00 H +TER +ATOM 2480 O WAT 471 55.096 54.170 12.823 1.00 0.00 O +ATOM 2481 H1 WAT 471 55.644 53.988 12.059 1.00 0.00 H +ATOM 2482 H2 WAT 471 55.161 53.379 13.358 1.00 0.00 H +TER +ATOM 2483 O WAT 472 65.315 54.053 9.036 1.00 0.00 O +ATOM 2484 H1 WAT 472 64.440 54.387 8.833 1.00 0.00 H +ATOM 2485 H2 WAT 472 65.206 53.581 9.861 1.00 0.00 H +TER +ATOM 2486 O WAT 473 63.062 54.970 7.975 1.00 0.00 O +ATOM 2487 H1 WAT 473 62.279 55.445 8.255 1.00 0.00 H +ATOM 2488 H2 WAT 473 62.768 54.066 7.866 1.00 0.00 H +TER +ATOM 2489 O WAT 474 60.947 57.389 3.487 1.00 0.00 O +ATOM 2490 H1 WAT 474 60.135 57.015 3.146 1.00 0.00 H +ATOM 2491 H2 WAT 474 61.452 56.633 3.789 1.00 0.00 H +TER +ATOM 2492 O WAT 475 59.098 54.817 14.526 1.00 0.00 O +ATOM 2493 H1 WAT 475 58.816 55.321 13.762 1.00 0.00 H +ATOM 2494 H2 WAT 475 59.480 54.020 14.161 1.00 0.00 H +TER +ATOM 2495 O WAT 476 64.605 43.478 60.565 1.00 0.00 O +ATOM 2496 H1 WAT 476 64.525 42.563 60.294 1.00 0.00 H +ATOM 2497 H2 WAT 476 64.192 43.974 59.859 1.00 0.00 H +TER +ATOM 2498 O WAT 477 62.737 45.256 62.446 1.00 0.00 O +ATOM 2499 H1 WAT 477 61.961 44.776 62.736 1.00 0.00 H +ATOM 2500 H2 WAT 477 63.388 44.576 62.272 1.00 0.00 H +TER +ATOM 2501 O WAT 478 56.754 45.568 63.324 1.00 0.00 O +ATOM 2502 H1 WAT 478 55.922 45.312 63.723 1.00 0.00 H +ATOM 2503 H2 WAT 478 57.362 45.639 64.060 1.00 0.00 H +TER +ATOM 2504 O WAT 479 56.734 49.602 63.520 1.00 0.00 O +ATOM 2505 H1 WAT 479 57.037 48.711 63.341 1.00 0.00 H +ATOM 2506 H2 WAT 479 57.478 50.159 63.292 1.00 0.00 H +TER +ATOM 2507 O WAT 480 55.163 40.528 57.108 1.00 0.00 O +ATOM 2508 H1 WAT 480 54.274 40.869 57.006 1.00 0.00 H +ATOM 2509 H2 WAT 480 55.447 40.328 56.216 1.00 0.00 H +TER +ATOM 2510 O WAT 481 53.126 43.128 62.992 1.00 0.00 O +ATOM 2511 H1 WAT 481 53.698 42.360 62.992 1.00 0.00 H +ATOM 2512 H2 WAT 481 53.126 43.427 62.083 1.00 0.00 H +TER +ATOM 2513 O WAT 482 62.984 51.947 60.847 1.00 0.00 O +ATOM 2514 H1 WAT 482 62.365 52.403 60.276 1.00 0.00 H +ATOM 2515 H2 WAT 482 63.839 52.103 60.445 1.00 0.00 H +TER +ATOM 2516 O WAT 483 62.178 47.931 62.453 1.00 0.00 O +ATOM 2517 H1 WAT 483 62.109 46.990 62.292 1.00 0.00 H +ATOM 2518 H2 WAT 483 62.940 48.021 63.025 1.00 0.00 H +TER +ATOM 2519 O WAT 484 54.369 38.537 64.779 1.00 0.00 O +ATOM 2520 H1 WAT 484 54.189 37.639 65.059 1.00 0.00 H +ATOM 2521 H2 WAT 484 53.967 39.084 65.454 1.00 0.00 H +TER +ATOM 2522 O WAT 485 63.208 40.738 62.680 1.00 0.00 O +ATOM 2523 H1 WAT 485 63.585 39.865 62.567 1.00 0.00 H +ATOM 2524 H2 WAT 485 63.110 41.074 61.789 1.00 0.00 H +TER +ATOM 2525 O WAT 486 57.339 39.111 58.142 1.00 0.00 O +ATOM 2526 H1 WAT 486 57.446 40.011 58.449 1.00 0.00 H +ATOM 2527 H2 WAT 486 56.428 39.063 57.851 1.00 0.00 H +TER +ATOM 2528 O WAT 487 54.987 41.033 63.387 1.00 0.00 O +ATOM 2529 H1 WAT 487 55.668 41.297 64.006 1.00 0.00 H +ATOM 2530 H2 WAT 487 54.672 40.193 63.721 1.00 0.00 H +TER +ATOM 2531 O WAT 488 59.180 42.079 62.474 1.00 0.00 O +ATOM 2532 H1 WAT 488 59.688 42.578 63.115 1.00 0.00 H +ATOM 2533 H2 WAT 488 59.711 41.303 62.298 1.00 0.00 H +TER +ATOM 2534 O WAT 489 63.850 46.831 58.240 1.00 0.00 O +ATOM 2535 H1 WAT 489 63.232 47.296 57.676 1.00 0.00 H +ATOM 2536 H2 WAT 489 64.363 47.524 58.657 1.00 0.00 H +TER +ATOM 2537 O WAT 490 58.714 46.359 64.918 1.00 0.00 O +ATOM 2538 H1 WAT 490 58.381 46.986 65.560 1.00 0.00 H +ATOM 2539 H2 WAT 490 58.890 46.885 64.138 1.00 0.00 H +TER +ATOM 2540 O WAT 491 57.145 38.430 64.748 1.00 0.00 O +ATOM 2541 H1 WAT 491 57.487 39.275 64.453 1.00 0.00 H +ATOM 2542 H2 WAT 491 56.206 38.579 64.864 1.00 0.00 H +TER +ATOM 2543 O WAT 492 53.219 47.517 55.614 1.00 0.00 O +ATOM 2544 H1 WAT 492 52.842 48.006 54.882 1.00 0.00 H +ATOM 2545 H2 WAT 492 53.476 48.189 56.244 1.00 0.00 H +TER +ATOM 2546 O WAT 493 60.828 35.919 61.072 1.00 0.00 O +ATOM 2547 H1 WAT 493 61.135 35.363 60.356 1.00 0.00 H +ATOM 2548 H2 WAT 493 59.898 36.053 60.890 1.00 0.00 H +TER +ATOM 2549 O WAT 494 63.216 43.983 57.808 1.00 0.00 O +ATOM 2550 H1 WAT 494 62.289 43.917 58.037 1.00 0.00 H +ATOM 2551 H2 WAT 494 63.368 44.921 57.694 1.00 0.00 H +TER +ATOM 2552 O WAT 495 63.203 40.255 54.805 1.00 0.00 O +ATOM 2553 H1 WAT 495 62.263 40.417 54.890 1.00 0.00 H +ATOM 2554 H2 WAT 495 63.521 40.974 54.259 1.00 0.00 H +TER +ATOM 2555 O WAT 496 58.821 44.510 60.590 1.00 0.00 O +ATOM 2556 H1 WAT 496 58.417 43.798 60.095 1.00 0.00 H +ATOM 2557 H2 WAT 496 58.908 44.165 61.479 1.00 0.00 H +TER +ATOM 2558 O WAT 497 59.290 48.197 62.754 1.00 0.00 O +ATOM 2559 H1 WAT 497 58.992 47.591 62.075 1.00 0.00 H +ATOM 2560 H2 WAT 497 60.240 48.234 62.643 1.00 0.00 H +TER +ATOM 2561 O WAT 498 57.534 41.284 64.370 1.00 0.00 O +ATOM 2562 H1 WAT 498 58.086 41.394 63.595 1.00 0.00 H +ATOM 2563 H2 WAT 498 58.049 41.658 65.086 1.00 0.00 H +TER +ATOM 2564 O WAT 499 63.531 49.724 59.287 1.00 0.00 O +ATOM 2565 H1 WAT 499 63.971 50.466 58.873 1.00 0.00 H +ATOM 2566 H2 WAT 499 63.470 49.966 60.211 1.00 0.00 H +TER +ATOM 2567 O WAT 500 55.522 43.404 58.091 1.00 0.00 O +ATOM 2568 H1 WAT 500 55.402 44.131 57.479 1.00 0.00 H +ATOM 2569 H2 WAT 500 55.212 42.635 57.614 1.00 0.00 H +TER +ATOM 2570 O WAT 501 53.160 46.576 63.898 1.00 0.00 O +ATOM 2571 H1 WAT 501 53.238 46.711 62.953 1.00 0.00 H +ATOM 2572 H2 WAT 501 53.775 45.868 64.091 1.00 0.00 H +TER +ATOM 2573 O WAT 502 54.405 48.276 60.308 1.00 0.00 O +ATOM 2574 H1 WAT 502 53.998 48.417 59.454 1.00 0.00 H +ATOM 2575 H2 WAT 502 55.296 47.992 60.105 1.00 0.00 H +TER +ATOM 2576 O WAT 503 58.677 52.491 58.421 1.00 0.00 O +ATOM 2577 H1 WAT 503 58.502 51.574 58.207 1.00 0.00 H +ATOM 2578 H2 WAT 503 57.823 52.849 58.660 1.00 0.00 H +TER +ATOM 2579 O WAT 504 57.988 36.748 61.473 1.00 0.00 O +ATOM 2580 H1 WAT 504 57.545 37.529 61.142 1.00 0.00 H +ATOM 2581 H2 WAT 504 58.547 37.071 62.180 1.00 0.00 H +TER +ATOM 2582 O WAT 505 61.104 36.369 56.354 1.00 0.00 O +ATOM 2583 H1 WAT 505 60.480 36.365 57.079 1.00 0.00 H +ATOM 2584 H2 WAT 505 61.017 35.502 55.957 1.00 0.00 H +TER +ATOM 2585 O WAT 506 60.026 37.293 63.332 1.00 0.00 O +ATOM 2586 H1 WAT 506 60.323 38.199 63.251 1.00 0.00 H +ATOM 2587 H2 WAT 506 60.574 36.805 62.718 1.00 0.00 H +TER +ATOM 2588 O WAT 507 57.780 41.871 59.201 1.00 0.00 O +ATOM 2589 H1 WAT 507 57.554 41.655 60.106 1.00 0.00 H +ATOM 2590 H2 WAT 507 56.999 42.304 58.856 1.00 0.00 H +TER +ATOM 2591 O WAT 508 65.009 41.878 57.800 1.00 0.00 O +ATOM 2592 H1 WAT 508 64.410 42.601 57.617 1.00 0.00 H +ATOM 2593 H2 WAT 508 65.557 41.815 57.018 1.00 0.00 H +TER +ATOM 2594 O WAT 509 63.616 40.514 59.831 1.00 0.00 O +ATOM 2595 H1 WAT 509 64.009 40.831 59.018 1.00 0.00 H +ATOM 2596 H2 WAT 509 63.978 39.635 59.945 1.00 0.00 H +TER +ATOM 2597 O WAT 510 52.652 37.104 62.054 1.00 0.00 O +ATOM 2598 H1 WAT 510 52.364 37.674 62.766 1.00 0.00 H +ATOM 2599 H2 WAT 510 53.397 36.625 62.417 1.00 0.00 H +TER +ATOM 2600 O WAT 511 52.839 41.046 53.264 1.00 0.00 O +ATOM 2601 H1 WAT 511 52.757 41.989 53.406 1.00 0.00 H +ATOM 2602 H2 WAT 511 52.488 40.904 52.385 1.00 0.00 H +TER +ATOM 2603 O WAT 512 64.201 43.105 63.926 1.00 0.00 O +ATOM 2604 H1 WAT 512 63.470 43.613 64.275 1.00 0.00 H +ATOM 2605 H2 WAT 512 63.804 42.288 63.625 1.00 0.00 H +TER +ATOM 2606 O WAT 513 60.639 39.780 62.331 1.00 0.00 O +ATOM 2607 H1 WAT 513 60.643 39.339 61.482 1.00 0.00 H +ATOM 2608 H2 WAT 513 61.534 40.102 62.438 1.00 0.00 H +TER +ATOM 2609 O WAT 514 56.489 39.663 61.290 1.00 0.00 O +ATOM 2610 H1 WAT 514 56.149 40.140 62.047 1.00 0.00 H +ATOM 2611 H2 WAT 514 55.727 39.209 60.931 1.00 0.00 H +TER +ATOM 2612 O WAT 515 60.701 40.781 55.322 1.00 0.00 O +ATOM 2613 H1 WAT 515 60.822 40.740 56.270 1.00 0.00 H +ATOM 2614 H2 WAT 515 60.316 41.644 55.166 1.00 0.00 H +TER +ATOM 2615 O WAT 516 64.664 38.558 63.338 1.00 0.00 O +ATOM 2616 H1 WAT 516 64.681 39.009 64.182 1.00 0.00 H +ATOM 2617 H2 WAT 516 64.416 37.658 63.551 1.00 0.00 H +TER +ATOM 2618 O WAT 517 59.713 43.091 54.720 1.00 0.00 O +ATOM 2619 H1 WAT 517 59.145 42.643 54.094 1.00 0.00 H +ATOM 2620 H2 WAT 517 60.422 43.451 54.187 1.00 0.00 H +TER +ATOM 2621 O WAT 518 60.940 43.840 64.078 1.00 0.00 O +ATOM 2622 H1 WAT 518 61.307 43.366 64.824 1.00 0.00 H +ATOM 2623 H2 WAT 518 60.750 44.714 64.418 1.00 0.00 H +TER +ATOM 2624 O WAT 519 53.804 38.585 60.207 1.00 0.00 O +ATOM 2625 H1 WAT 519 53.519 38.220 61.045 1.00 0.00 H +ATOM 2626 H2 WAT 519 53.742 37.853 59.593 1.00 0.00 H +TER +ATOM 2627 O WAT 520 57.258 47.087 56.993 1.00 0.00 O +ATOM 2628 H1 WAT 520 56.484 46.547 56.833 1.00 0.00 H +ATOM 2629 H2 WAT 520 57.988 46.568 56.654 1.00 0.00 H +TER +ATOM 2630 O WAT 521 63.478 37.477 56.928 1.00 0.00 O +ATOM 2631 H1 WAT 521 62.664 36.979 56.853 1.00 0.00 H +ATOM 2632 H2 WAT 521 63.284 38.317 56.512 1.00 0.00 H +TER +ATOM 2633 O WAT 522 57.302 46.755 60.631 1.00 0.00 O +ATOM 2634 H1 WAT 522 57.820 45.952 60.576 1.00 0.00 H +ATOM 2635 H2 WAT 522 56.850 46.693 61.472 1.00 0.00 H +TER +ATOM 2636 O WAT 523 62.189 48.022 55.903 1.00 0.00 O +ATOM 2637 H1 WAT 523 62.530 48.766 55.408 1.00 0.00 H +ATOM 2638 H2 WAT 523 61.360 48.335 56.266 1.00 0.00 H +TER +ATOM 2639 O WAT 524 65.072 47.343 61.268 1.00 0.00 O +ATOM 2640 H1 WAT 524 65.424 46.746 60.608 1.00 0.00 H +ATOM 2641 H2 WAT 524 64.188 47.018 61.439 1.00 0.00 H +TER +ATOM 2642 O WAT 525 61.158 48.103 58.675 1.00 0.00 O +ATOM 2643 H1 WAT 525 61.845 48.650 59.056 1.00 0.00 H +ATOM 2644 H2 WAT 525 60.371 48.647 58.710 1.00 0.00 H +TER +ATOM 2645 O WAT 526 53.297 43.720 54.167 1.00 0.00 O +ATOM 2646 H1 WAT 526 54.167 44.003 54.450 1.00 0.00 H +ATOM 2647 H2 WAT 526 52.806 44.534 54.052 1.00 0.00 H +TER +ATOM 2648 O WAT 527 60.461 45.108 58.287 1.00 0.00 O +ATOM 2649 H1 WAT 527 60.917 45.918 58.513 1.00 0.00 H +ATOM 2650 H2 WAT 527 60.109 44.790 59.119 1.00 0.00 H +TER +ATOM 2651 O WAT 528 56.362 35.452 58.760 1.00 0.00 O +ATOM 2652 H1 WAT 528 56.233 35.443 59.708 1.00 0.00 H +ATOM 2653 H2 WAT 528 55.538 35.790 58.409 1.00 0.00 H +TER +ATOM 2654 O WAT 529 64.037 48.622 64.234 1.00 0.00 O +ATOM 2655 H1 WAT 529 64.679 47.921 64.348 1.00 0.00 H +ATOM 2656 H2 WAT 529 64.562 49.401 64.054 1.00 0.00 H +TER +ATOM 2657 O WAT 530 53.664 52.933 54.733 1.00 0.00 O +ATOM 2658 H1 WAT 530 54.024 53.532 54.079 1.00 0.00 H +ATOM 2659 H2 WAT 530 53.523 53.479 55.506 1.00 0.00 H +TER +ATOM 2660 O WAT 531 59.681 50.316 55.550 1.00 0.00 O +ATOM 2661 H1 WAT 531 59.672 51.049 54.935 1.00 0.00 H +ATOM 2662 H2 WAT 531 58.761 50.069 55.643 1.00 0.00 H +TER +ATOM 2663 O WAT 532 55.282 45.538 56.295 1.00 0.00 O +ATOM 2664 H1 WAT 532 54.675 46.278 56.304 1.00 0.00 H +ATOM 2665 H2 WAT 532 55.757 45.628 55.469 1.00 0.00 H +TER +ATOM 2666 O WAT 533 62.667 50.379 54.213 1.00 0.00 O +ATOM 2667 H1 WAT 533 62.768 50.176 53.283 1.00 0.00 H +ATOM 2668 H2 WAT 533 61.767 50.125 54.417 1.00 0.00 H +TER +ATOM 2669 O WAT 534 60.190 40.937 58.195 1.00 0.00 O +ATOM 2670 H1 WAT 534 59.481 41.406 58.636 1.00 0.00 H +ATOM 2671 H2 WAT 534 60.474 40.279 58.830 1.00 0.00 H +TER +ATOM 2672 O WAT 535 64.221 37.662 59.635 1.00 0.00 O +ATOM 2673 H1 WAT 535 64.098 37.681 58.686 1.00 0.00 H +ATOM 2674 H2 WAT 535 65.170 37.710 59.754 1.00 0.00 H +TER +ATOM 2675 O WAT 536 61.309 52.898 58.907 1.00 0.00 O +ATOM 2676 H1 WAT 536 61.563 52.860 57.985 1.00 0.00 H +ATOM 2677 H2 WAT 536 60.360 52.771 58.900 1.00 0.00 H +TER +ATOM 2678 O WAT 537 58.393 39.246 55.570 1.00 0.00 O +ATOM 2679 H1 WAT 537 59.242 39.683 55.504 1.00 0.00 H +ATOM 2680 H2 WAT 537 58.026 39.558 56.397 1.00 0.00 H +TER +ATOM 2681 O WAT 538 57.292 45.499 54.044 1.00 0.00 O +ATOM 2682 H1 WAT 538 58.059 45.387 54.606 1.00 0.00 H +ATOM 2683 H2 WAT 538 57.370 44.803 53.391 1.00 0.00 H +TER +ATOM 2684 O WAT 539 55.987 42.931 54.727 1.00 0.00 O +ATOM 2685 H1 WAT 539 56.067 41.984 54.839 1.00 0.00 H +ATOM 2686 H2 WAT 539 56.879 43.262 54.833 1.00 0.00 H +TER +ATOM 2687 O WAT 540 56.788 53.081 61.830 1.00 0.00 O +ATOM 2688 H1 WAT 540 57.525 52.532 62.101 1.00 0.00 H +ATOM 2689 H2 WAT 540 57.173 53.947 61.691 1.00 0.00 H +TER +ATOM 2690 O WAT 541 53.673 49.148 57.705 1.00 0.00 O +ATOM 2691 H1 WAT 541 52.747 49.390 57.695 1.00 0.00 H +ATOM 2692 H2 WAT 541 54.139 49.976 57.583 1.00 0.00 H +TER +ATOM 2693 O WAT 542 59.899 52.254 53.653 1.00 0.00 O +ATOM 2694 H1 WAT 542 60.692 52.543 53.201 1.00 0.00 H +ATOM 2695 H2 WAT 542 59.379 51.823 52.974 1.00 0.00 H +TER +ATOM 2696 O WAT 543 60.416 47.474 53.517 1.00 0.00 O +ATOM 2697 H1 WAT 543 60.311 46.860 54.243 1.00 0.00 H +ATOM 2698 H2 WAT 543 60.249 46.951 52.734 1.00 0.00 H +TER +ATOM 2699 O WAT 544 63.657 46.536 54.121 1.00 0.00 O +ATOM 2700 H1 WAT 544 63.108 46.983 54.766 1.00 0.00 H +ATOM 2701 H2 WAT 544 64.279 46.031 54.645 1.00 0.00 H +TER +ATOM 2702 O WAT 545 59.324 45.495 56.018 1.00 0.00 O +ATOM 2703 H1 WAT 545 59.746 45.329 56.861 1.00 0.00 H +ATOM 2704 H2 WAT 545 59.449 44.685 55.523 1.00 0.00 H +TER +ATOM 2705 O WAT 546 61.837 44.519 53.266 1.00 0.00 O +ATOM 2706 H1 WAT 546 62.358 43.804 52.900 1.00 0.00 H +ATOM 2707 H2 WAT 546 62.484 45.158 53.566 1.00 0.00 H +TER +ATOM 2708 O WAT 547 58.220 41.569 52.964 1.00 0.00 O +ATOM 2709 H1 WAT 547 58.019 40.705 53.325 1.00 0.00 H +ATOM 2710 H2 WAT 547 58.049 41.482 52.026 1.00 0.00 H +TER +ATOM 2711 O WAT 548 57.018 38.669 52.952 1.00 0.00 O +ATOM 2712 H1 WAT 548 57.321 38.676 52.043 1.00 0.00 H +ATOM 2713 H2 WAT 548 57.758 38.319 53.448 1.00 0.00 H +TER +ATOM 2714 O WAT 549 60.237 37.612 53.937 1.00 0.00 O +ATOM 2715 H1 WAT 549 59.889 36.935 53.357 1.00 0.00 H +ATOM 2716 H2 WAT 549 60.438 37.151 54.752 1.00 0.00 H +TER +ATOM 2717 O WAT 550 62.402 52.600 55.556 1.00 0.00 O +ATOM 2718 H1 WAT 550 63.297 52.939 55.578 1.00 0.00 H +ATOM 2719 H2 WAT 550 62.434 51.878 54.928 1.00 0.00 H +TER +ATOM 2720 O WAT 551 56.041 47.973 53.785 1.00 0.00 O +ATOM 2721 H1 WAT 551 56.479 48.516 54.440 1.00 0.00 H +ATOM 2722 H2 WAT 551 56.526 47.148 53.794 1.00 0.00 H +TER +ATOM 2723 O WAT 552 53.256 50.762 61.237 1.00 0.00 O +ATOM 2724 H1 WAT 552 53.586 49.894 61.004 1.00 0.00 H +ATOM 2725 H2 WAT 552 53.685 50.968 62.067 1.00 0.00 H +TER +ATOM 2726 O WAT 553 57.852 49.093 58.897 1.00 0.00 O +ATOM 2727 H1 WAT 553 57.552 48.969 59.797 1.00 0.00 H +ATOM 2728 H2 WAT 553 57.746 48.234 58.488 1.00 0.00 H +TER +ATOM 2729 O WAT 554 53.745 51.629 63.975 1.00 0.00 O +ATOM 2730 H1 WAT 554 53.308 51.809 64.807 1.00 0.00 H +ATOM 2731 H2 WAT 554 54.313 52.386 63.833 1.00 0.00 H +TER +ATOM 2732 O WAT 555 53.577 44.141 60.334 1.00 0.00 O +ATOM 2733 H1 WAT 555 52.922 43.872 59.690 1.00 0.00 H +ATOM 2734 H2 WAT 555 54.415 44.031 59.884 1.00 0.00 H +TER +ATOM 2735 O WAT 556 54.615 44.526 64.874 1.00 0.00 O +ATOM 2736 H1 WAT 556 54.982 44.439 65.754 1.00 0.00 H +ATOM 2737 H2 WAT 556 54.046 43.763 64.775 1.00 0.00 H +TER +ATOM 2738 O WAT 557 52.791 41.351 56.276 1.00 0.00 O +ATOM 2739 H1 WAT 557 51.888 41.614 56.101 1.00 0.00 H +ATOM 2740 H2 WAT 557 53.275 41.622 55.496 1.00 0.00 H +TER +ATOM 2741 O WAT 558 55.334 40.407 54.186 1.00 0.00 O +ATOM 2742 H1 WAT 558 56.043 39.986 53.700 1.00 0.00 H +ATOM 2743 H2 WAT 558 54.618 40.475 53.554 1.00 0.00 H +TER +ATOM 2744 O WAT 559 54.981 36.461 53.226 1.00 0.00 O +ATOM 2745 H1 WAT 559 55.704 37.002 53.544 1.00 0.00 H +ATOM 2746 H2 WAT 559 55.254 36.188 52.350 1.00 0.00 H +TER +ATOM 2747 O WAT 560 54.671 35.712 63.128 1.00 0.00 O +ATOM 2748 H1 WAT 560 55.318 35.162 62.688 1.00 0.00 H +ATOM 2749 H2 WAT 560 55.091 35.966 63.950 1.00 0.00 H +TER +ATOM 2750 O WAT 561 59.731 50.595 65.637 1.00 0.00 O +ATOM 2751 H1 WAT 561 59.490 50.863 64.750 1.00 0.00 H +ATOM 2752 H2 WAT 561 60.671 50.766 65.692 1.00 0.00 H +TER +ATOM 2753 O WAT 562 59.105 51.566 62.891 1.00 0.00 O +ATOM 2754 H1 WAT 562 59.621 50.955 62.366 1.00 0.00 H +ATOM 2755 H2 WAT 562 59.754 52.069 63.383 1.00 0.00 H +TER +ATOM 2756 O WAT 563 61.844 52.457 63.718 1.00 0.00 O +ATOM 2757 H1 WAT 563 62.132 52.202 62.842 1.00 0.00 H +ATOM 2758 H2 WAT 563 62.357 51.905 64.309 1.00 0.00 H +TER +ATOM 2759 O WAT 564 63.062 36.196 64.298 1.00 0.00 O +ATOM 2760 H1 WAT 564 62.279 36.671 64.578 1.00 0.00 H +ATOM 2761 H2 WAT 564 62.768 35.291 64.189 1.00 0.00 H +TER +ATOM 2762 O WAT 565 53.783 52.669 59.316 1.00 0.00 O +ATOM 2763 H1 WAT 565 53.615 52.036 60.014 1.00 0.00 H +ATOM 2764 H2 WAT 565 52.917 52.875 58.966 1.00 0.00 H +TER +ATOM 2765 O WAT 566 54.406 36.501 56.819 1.00 0.00 O +ATOM 2766 H1 WAT 566 55.164 36.614 56.246 1.00 0.00 H +ATOM 2767 H2 WAT 566 53.944 37.338 56.774 1.00 0.00 H +TER +ATOM 2768 O WAT 567 60.947 38.615 59.810 1.00 0.00 O +ATOM 2769 H1 WAT 567 60.135 38.240 59.469 1.00 0.00 H +ATOM 2770 H2 WAT 567 61.452 37.859 60.112 1.00 0.00 H +TER +ATOM 2771 O WAT 568 55.389 51.362 56.761 1.00 0.00 O +ATOM 2772 H1 WAT 568 54.864 51.743 56.057 1.00 0.00 H +ATOM 2773 H2 WAT 568 55.314 51.987 57.482 1.00 0.00 H +TER +ATOM 2774 O WAT 569 56.779 37.027 55.360 1.00 0.00 O +ATOM 2775 H1 WAT 569 57.308 36.240 55.230 1.00 0.00 H +ATOM 2776 H2 WAT 569 57.411 37.706 55.593 1.00 0.00 H +TER +ATOM 2777 O WAT 570 58.972 36.765 58.414 1.00 0.00 O +ATOM 2778 H1 WAT 570 58.343 36.063 58.581 1.00 0.00 H +ATOM 2779 H2 WAT 570 58.433 37.525 58.197 1.00 0.00 H +TER +ATOM 2780 O WAT 571 57.989 53.311 55.636 1.00 0.00 O +ATOM 2781 H1 WAT 571 58.721 53.027 55.089 1.00 0.00 H +ATOM 2782 H2 WAT 571 58.248 53.072 56.526 1.00 0.00 H +TER +ATOM 2783 O WAT 572 57.150 49.427 55.641 1.00 0.00 O +ATOM 2784 H1 WAT 572 56.521 49.896 56.189 1.00 0.00 H +ATOM 2785 H2 WAT 572 57.265 48.582 56.075 1.00 0.00 H +TER +ATOM 2786 O WAT 573 64.605 43.478 41.791 1.00 0.00 O +ATOM 2787 H1 WAT 573 64.525 42.563 41.520 1.00 0.00 H +ATOM 2788 H2 WAT 573 64.192 43.974 41.085 1.00 0.00 H +TER +ATOM 2789 O WAT 574 62.737 45.256 43.672 1.00 0.00 O +ATOM 2790 H1 WAT 574 61.961 44.776 43.962 1.00 0.00 H +ATOM 2791 H2 WAT 574 63.388 44.576 43.497 1.00 0.00 H +TER +ATOM 2792 O WAT 575 56.754 45.568 44.549 1.00 0.00 O +ATOM 2793 H1 WAT 575 55.922 45.312 44.949 1.00 0.00 H +ATOM 2794 H2 WAT 575 57.362 45.639 45.285 1.00 0.00 H +TER +ATOM 2795 O WAT 576 56.734 49.602 44.745 1.00 0.00 O +ATOM 2796 H1 WAT 576 57.037 48.711 44.566 1.00 0.00 H +ATOM 2797 H2 WAT 576 57.478 50.159 44.517 1.00 0.00 H +TER +ATOM 2798 O WAT 577 55.163 40.528 38.334 1.00 0.00 O +ATOM 2799 H1 WAT 577 54.274 40.869 38.232 1.00 0.00 H +ATOM 2800 H2 WAT 577 55.447 40.328 37.442 1.00 0.00 H +TER +ATOM 2801 O WAT 578 53.126 43.128 44.218 1.00 0.00 O +ATOM 2802 H1 WAT 578 53.698 42.360 44.218 1.00 0.00 H +ATOM 2803 H2 WAT 578 53.126 43.427 43.308 1.00 0.00 H +TER +ATOM 2804 O WAT 579 62.984 51.947 42.072 1.00 0.00 O +ATOM 2805 H1 WAT 579 62.365 52.403 41.502 1.00 0.00 H +ATOM 2806 H2 WAT 579 63.839 52.103 41.671 1.00 0.00 H +TER +ATOM 2807 O WAT 580 62.178 47.931 43.679 1.00 0.00 O +ATOM 2808 H1 WAT 580 62.109 46.990 43.518 1.00 0.00 H +ATOM 2809 H2 WAT 580 62.940 48.021 44.251 1.00 0.00 H +TER +ATOM 2810 O WAT 581 54.369 38.537 46.005 1.00 0.00 O +ATOM 2811 H1 WAT 581 54.189 37.639 46.285 1.00 0.00 H +ATOM 2812 H2 WAT 581 53.967 39.084 46.679 1.00 0.00 H +TER +ATOM 2813 O WAT 582 63.208 40.738 43.906 1.00 0.00 O +ATOM 2814 H1 WAT 582 63.585 39.865 43.793 1.00 0.00 H +ATOM 2815 H2 WAT 582 63.110 41.074 43.015 1.00 0.00 H +TER +ATOM 2816 O WAT 583 57.339 39.111 39.367 1.00 0.00 O +ATOM 2817 H1 WAT 583 57.446 40.011 39.674 1.00 0.00 H +ATOM 2818 H2 WAT 583 56.428 39.063 39.077 1.00 0.00 H +TER +ATOM 2819 O WAT 584 54.987 41.033 44.613 1.00 0.00 O +ATOM 2820 H1 WAT 584 55.668 41.297 45.231 1.00 0.00 H +ATOM 2821 H2 WAT 584 54.672 40.193 44.947 1.00 0.00 H +TER +ATOM 2822 O WAT 585 59.180 42.079 43.700 1.00 0.00 O +ATOM 2823 H1 WAT 585 59.688 42.578 44.341 1.00 0.00 H +ATOM 2824 H2 WAT 585 59.711 41.303 43.524 1.00 0.00 H +TER +ATOM 2825 O WAT 586 57.463 36.719 47.966 1.00 0.00 O +ATOM 2826 H1 WAT 586 57.465 37.237 47.161 1.00 0.00 H +ATOM 2827 H2 WAT 586 56.634 36.242 47.943 1.00 0.00 H +TER +ATOM 2828 O WAT 587 63.850 46.831 39.465 1.00 0.00 O +ATOM 2829 H1 WAT 587 63.232 47.296 38.902 1.00 0.00 H +ATOM 2830 H2 WAT 587 64.363 47.524 39.882 1.00 0.00 H +TER +ATOM 2831 O WAT 588 58.714 46.359 46.144 1.00 0.00 O +ATOM 2832 H1 WAT 588 58.381 46.986 46.786 1.00 0.00 H +ATOM 2833 H2 WAT 588 58.890 46.885 45.364 1.00 0.00 H +TER +ATOM 2834 O WAT 589 57.145 38.430 45.973 1.00 0.00 O +ATOM 2835 H1 WAT 589 57.487 39.275 45.679 1.00 0.00 H +ATOM 2836 H2 WAT 589 56.206 38.579 46.090 1.00 0.00 H +TER +ATOM 2837 O WAT 590 57.926 48.327 47.959 1.00 0.00 O +ATOM 2838 H1 WAT 590 58.543 49.002 47.677 1.00 0.00 H +ATOM 2839 H2 WAT 590 57.065 48.736 47.867 1.00 0.00 H +TER +ATOM 2840 O WAT 591 53.219 47.517 36.839 1.00 0.00 O +ATOM 2841 H1 WAT 591 52.842 48.006 36.108 1.00 0.00 H +ATOM 2842 H2 WAT 591 53.476 48.189 37.470 1.00 0.00 H +TER +ATOM 2843 O WAT 592 60.828 35.919 42.298 1.00 0.00 O +ATOM 2844 H1 WAT 592 61.135 35.363 41.581 1.00 0.00 H +ATOM 2845 H2 WAT 592 59.898 36.053 42.115 1.00 0.00 H +TER +ATOM 2846 O WAT 593 63.216 43.983 39.034 1.00 0.00 O +ATOM 2847 H1 WAT 593 62.289 43.917 39.263 1.00 0.00 H +ATOM 2848 H2 WAT 593 63.368 44.921 38.919 1.00 0.00 H +TER +ATOM 2849 O WAT 594 63.203 40.255 36.031 1.00 0.00 O +ATOM 2850 H1 WAT 594 62.263 40.417 36.116 1.00 0.00 H +ATOM 2851 H2 WAT 594 63.521 40.974 35.484 1.00 0.00 H +TER +ATOM 2852 O WAT 595 58.821 44.510 41.816 1.00 0.00 O +ATOM 2853 H1 WAT 595 58.417 43.798 41.320 1.00 0.00 H +ATOM 2854 H2 WAT 595 58.908 44.165 42.705 1.00 0.00 H +TER +ATOM 2855 O WAT 596 59.290 48.197 43.980 1.00 0.00 O +ATOM 2856 H1 WAT 596 58.992 47.591 43.301 1.00 0.00 H +ATOM 2857 H2 WAT 596 60.240 48.234 43.869 1.00 0.00 H +TER +ATOM 2858 O WAT 597 57.534 41.284 45.596 1.00 0.00 O +ATOM 2859 H1 WAT 597 58.086 41.394 44.821 1.00 0.00 H +ATOM 2860 H2 WAT 597 58.049 41.658 46.311 1.00 0.00 H +TER +ATOM 2861 O WAT 598 58.381 47.935 50.631 1.00 0.00 O +ATOM 2862 H1 WAT 598 57.484 48.159 50.878 1.00 0.00 H +ATOM 2863 H2 WAT 598 58.407 48.058 49.682 1.00 0.00 H +TER +ATOM 2864 O WAT 599 57.209 44.806 49.206 1.00 0.00 O +ATOM 2865 H1 WAT 599 57.069 45.678 49.575 1.00 0.00 H +ATOM 2866 H2 WAT 599 56.327 44.463 49.061 1.00 0.00 H +TER +ATOM 2867 O WAT 600 63.531 49.724 40.513 1.00 0.00 O +ATOM 2868 H1 WAT 600 63.971 50.466 40.098 1.00 0.00 H +ATOM 2869 H2 WAT 600 63.470 49.966 41.437 1.00 0.00 H +TER +ATOM 2870 O WAT 601 59.007 50.748 51.415 1.00 0.00 O +ATOM 2871 H1 WAT 601 58.978 51.153 50.548 1.00 0.00 H +ATOM 2872 H2 WAT 601 58.843 49.819 51.252 1.00 0.00 H +TER +ATOM 2873 O WAT 602 55.522 43.404 39.317 1.00 0.00 O +ATOM 2874 H1 WAT 602 55.402 44.131 38.705 1.00 0.00 H +ATOM 2875 H2 WAT 602 55.212 42.635 38.839 1.00 0.00 H +TER +ATOM 2876 O WAT 603 53.160 46.576 45.123 1.00 0.00 O +ATOM 2877 H1 WAT 603 53.238 46.711 44.179 1.00 0.00 H +ATOM 2878 H2 WAT 603 53.775 45.868 45.316 1.00 0.00 H +TER +ATOM 2879 O WAT 604 54.405 48.276 41.534 1.00 0.00 O +ATOM 2880 H1 WAT 604 53.998 48.417 40.679 1.00 0.00 H +ATOM 2881 H2 WAT 604 55.296 47.992 41.331 1.00 0.00 H +TER +ATOM 2882 O WAT 605 64.223 52.425 48.441 1.00 0.00 O +ATOM 2883 H1 WAT 605 64.738 52.336 49.243 1.00 0.00 H +ATOM 2884 H2 WAT 605 63.380 52.771 48.733 1.00 0.00 H +TER +ATOM 2885 O WAT 606 58.677 52.491 39.646 1.00 0.00 O +ATOM 2886 H1 WAT 606 58.502 51.574 39.433 1.00 0.00 H +ATOM 2887 H2 WAT 606 57.823 52.849 39.886 1.00 0.00 H +TER +ATOM 2888 O WAT 607 53.216 47.617 47.663 1.00 0.00 O +ATOM 2889 H1 WAT 607 53.379 47.148 46.845 1.00 0.00 H +ATOM 2890 H2 WAT 607 53.682 47.110 48.328 1.00 0.00 H +TER +ATOM 2891 O WAT 608 57.988 36.748 42.699 1.00 0.00 O +ATOM 2892 H1 WAT 608 57.545 37.529 42.367 1.00 0.00 H +ATOM 2893 H2 WAT 608 58.547 37.071 43.406 1.00 0.00 H +TER +ATOM 2894 O WAT 609 62.275 39.615 48.302 1.00 0.00 O +ATOM 2895 H1 WAT 609 61.813 39.823 49.114 1.00 0.00 H +ATOM 2896 H2 WAT 609 61.873 38.801 47.999 1.00 0.00 H +TER +ATOM 2897 O WAT 610 64.371 42.336 51.532 1.00 0.00 O +ATOM 2898 H1 WAT 610 64.696 41.502 51.192 1.00 0.00 H +ATOM 2899 H2 WAT 610 65.159 42.859 51.680 1.00 0.00 H +TER +ATOM 2900 O WAT 611 61.104 36.369 37.579 1.00 0.00 O +ATOM 2901 H1 WAT 611 60.480 36.365 38.305 1.00 0.00 H +ATOM 2902 H2 WAT 611 61.017 35.502 37.183 1.00 0.00 H +TER +ATOM 2903 O WAT 612 60.026 37.293 44.558 1.00 0.00 O +ATOM 2904 H1 WAT 612 60.323 38.199 44.477 1.00 0.00 H +ATOM 2905 H2 WAT 612 60.574 36.805 43.944 1.00 0.00 H +TER +ATOM 2906 O WAT 613 57.780 41.871 40.427 1.00 0.00 O +ATOM 2907 H1 WAT 613 57.554 41.655 41.332 1.00 0.00 H +ATOM 2908 H2 WAT 613 56.999 42.304 40.082 1.00 0.00 H +TER +ATOM 2909 O WAT 614 65.009 41.878 39.026 1.00 0.00 O +ATOM 2910 H1 WAT 614 64.410 42.601 38.842 1.00 0.00 H +ATOM 2911 H2 WAT 614 65.557 41.815 38.244 1.00 0.00 H +TER +ATOM 2912 O WAT 615 60.220 42.770 51.093 1.00 0.00 O +ATOM 2913 H1 WAT 615 60.124 41.829 50.943 1.00 0.00 H +ATOM 2914 H2 WAT 615 61.063 42.991 50.698 1.00 0.00 H +TER +ATOM 2915 O WAT 616 63.616 40.514 41.056 1.00 0.00 O +ATOM 2916 H1 WAT 616 64.009 40.831 40.243 1.00 0.00 H +ATOM 2917 H2 WAT 616 63.978 39.635 41.171 1.00 0.00 H +TER +ATOM 2918 O WAT 617 55.351 39.181 49.246 1.00 0.00 O +ATOM 2919 H1 WAT 617 54.957 40.029 49.454 1.00 0.00 H +ATOM 2920 H2 WAT 617 54.662 38.544 49.437 1.00 0.00 H +TER +ATOM 2921 O WAT 618 61.925 39.265 52.316 1.00 0.00 O +ATOM 2922 H1 WAT 618 61.235 39.072 52.951 1.00 0.00 H +ATOM 2923 H2 WAT 618 62.668 39.548 52.849 1.00 0.00 H +TER +ATOM 2924 O WAT 619 52.652 37.104 43.279 1.00 0.00 O +ATOM 2925 H1 WAT 619 52.364 37.674 43.992 1.00 0.00 H +ATOM 2926 H2 WAT 619 53.397 36.625 43.643 1.00 0.00 H +TER +ATOM 2927 O WAT 620 52.839 41.046 34.490 1.00 0.00 O +ATOM 2928 H1 WAT 620 52.757 41.989 34.631 1.00 0.00 H +ATOM 2929 H2 WAT 620 52.488 40.904 33.611 1.00 0.00 H +TER +ATOM 2930 O WAT 621 64.201 43.105 45.151 1.00 0.00 O +ATOM 2931 H1 WAT 621 63.470 43.613 45.500 1.00 0.00 H +ATOM 2932 H2 WAT 621 63.804 42.288 44.850 1.00 0.00 H +TER +ATOM 2933 O WAT 622 60.639 39.780 43.557 1.00 0.00 O +ATOM 2934 H1 WAT 622 60.643 39.339 42.707 1.00 0.00 H +ATOM 2935 H2 WAT 622 61.534 40.102 43.664 1.00 0.00 H +TER +ATOM 2936 O WAT 623 56.489 39.663 42.516 1.00 0.00 O +ATOM 2937 H1 WAT 623 56.149 40.140 43.273 1.00 0.00 H +ATOM 2938 H2 WAT 623 55.727 39.209 42.156 1.00 0.00 H +TER +ATOM 2939 O WAT 624 60.701 40.781 36.547 1.00 0.00 O +ATOM 2940 H1 WAT 624 60.822 40.740 37.496 1.00 0.00 H +ATOM 2941 H2 WAT 624 60.316 41.644 36.392 1.00 0.00 H +TER +ATOM 2942 O WAT 625 64.664 38.558 44.564 1.00 0.00 O +ATOM 2943 H1 WAT 625 64.681 39.009 45.408 1.00 0.00 H +ATOM 2944 H2 WAT 625 64.416 37.658 44.777 1.00 0.00 H +TER +ATOM 2945 O WAT 626 59.713 43.091 35.946 1.00 0.00 O +ATOM 2946 H1 WAT 626 59.145 42.643 35.319 1.00 0.00 H +ATOM 2947 H2 WAT 626 60.422 43.451 35.412 1.00 0.00 H +TER +ATOM 2948 O WAT 627 54.790 46.993 49.822 1.00 0.00 O +ATOM 2949 H1 WAT 627 54.406 46.352 50.421 1.00 0.00 H +ATOM 2950 H2 WAT 627 55.101 47.696 50.392 1.00 0.00 H +TER +ATOM 2951 O WAT 628 60.940 43.840 45.303 1.00 0.00 O +ATOM 2952 H1 WAT 628 61.307 43.366 46.049 1.00 0.00 H +ATOM 2953 H2 WAT 628 60.750 44.714 45.644 1.00 0.00 H +TER +ATOM 2954 O WAT 629 53.804 38.585 41.433 1.00 0.00 O +ATOM 2955 H1 WAT 629 53.519 38.220 42.270 1.00 0.00 H +ATOM 2956 H2 WAT 629 53.742 37.853 40.819 1.00 0.00 H +TER +ATOM 2957 O WAT 630 58.730 42.881 47.622 1.00 0.00 O +ATOM 2958 H1 WAT 630 58.426 43.760 47.847 1.00 0.00 H +ATOM 2959 H2 WAT 630 59.685 42.941 47.657 1.00 0.00 H +TER +ATOM 2960 O WAT 631 57.258 47.087 38.218 1.00 0.00 O +ATOM 2961 H1 WAT 631 56.484 46.547 38.058 1.00 0.00 H +ATOM 2962 H2 WAT 631 57.988 46.568 37.880 1.00 0.00 H +TER +ATOM 2963 O WAT 632 63.478 37.477 38.154 1.00 0.00 O +ATOM 2964 H1 WAT 632 62.664 36.979 38.078 1.00 0.00 H +ATOM 2965 H2 WAT 632 63.284 38.317 37.738 1.00 0.00 H +TER +ATOM 2966 O WAT 633 63.399 46.155 49.898 1.00 0.00 O +ATOM 2967 H1 WAT 633 63.332 45.234 49.644 1.00 0.00 H +ATOM 2968 H2 WAT 633 62.769 46.252 50.612 1.00 0.00 H +TER +ATOM 2969 O WAT 634 57.302 46.755 41.856 1.00 0.00 O +ATOM 2970 H1 WAT 634 57.820 45.952 41.802 1.00 0.00 H +ATOM 2971 H2 WAT 634 56.850 46.693 42.698 1.00 0.00 H +TER +ATOM 2972 O WAT 635 62.189 48.022 37.129 1.00 0.00 O +ATOM 2973 H1 WAT 635 62.530 48.766 36.633 1.00 0.00 H +ATOM 2974 H2 WAT 635 61.360 48.335 37.491 1.00 0.00 H +TER +ATOM 2975 O WAT 636 54.786 43.721 48.769 1.00 0.00 O +ATOM 2976 H1 WAT 636 54.428 44.387 49.356 1.00 0.00 H +ATOM 2977 H2 WAT 636 54.492 42.890 49.140 1.00 0.00 H +TER +ATOM 2978 O WAT 637 57.988 44.180 51.653 1.00 0.00 O +ATOM 2979 H1 WAT 637 57.688 44.325 50.756 1.00 0.00 H +ATOM 2980 H2 WAT 637 58.759 43.620 51.560 1.00 0.00 H +TER +ATOM 2981 O WAT 638 63.330 48.977 49.648 1.00 0.00 O +ATOM 2982 H1 WAT 638 63.345 48.045 49.430 1.00 0.00 H +ATOM 2983 H2 WAT 638 62.623 49.063 50.287 1.00 0.00 H +TER +ATOM 2984 O WAT 639 65.072 47.343 42.494 1.00 0.00 O +ATOM 2985 H1 WAT 639 65.424 46.746 41.834 1.00 0.00 H +ATOM 2986 H2 WAT 639 64.188 47.018 42.664 1.00 0.00 H +TER +ATOM 2987 O WAT 640 61.158 48.103 39.901 1.00 0.00 O +ATOM 2988 H1 WAT 640 61.845 48.650 40.281 1.00 0.00 H +ATOM 2989 H2 WAT 640 60.371 48.647 39.936 1.00 0.00 H +TER +ATOM 2990 O WAT 641 53.297 43.720 35.392 1.00 0.00 O +ATOM 2991 H1 WAT 641 54.167 44.003 35.676 1.00 0.00 H +ATOM 2992 H2 WAT 641 52.806 44.534 35.277 1.00 0.00 H +TER +ATOM 2993 O WAT 642 60.461 45.108 39.513 1.00 0.00 O +ATOM 2994 H1 WAT 642 60.917 45.918 39.739 1.00 0.00 H +ATOM 2995 H2 WAT 642 60.109 44.790 40.345 1.00 0.00 H +TER +ATOM 2996 O WAT 643 62.764 50.618 46.742 1.00 0.00 O +ATOM 2997 H1 WAT 643 63.408 50.824 47.420 1.00 0.00 H +ATOM 2998 H2 WAT 643 63.127 49.857 46.289 1.00 0.00 H +TER +ATOM 2999 O WAT 644 56.362 35.452 39.985 1.00 0.00 O +ATOM 3000 H1 WAT 644 56.233 35.443 40.934 1.00 0.00 H +ATOM 3001 H2 WAT 644 55.538 35.790 39.634 1.00 0.00 H +TER +ATOM 3002 O WAT 645 64.037 48.622 45.460 1.00 0.00 O +ATOM 3003 H1 WAT 645 64.679 47.921 45.573 1.00 0.00 H +ATOM 3004 H2 WAT 645 64.562 49.401 45.280 1.00 0.00 H +TER +ATOM 3005 O WAT 646 53.664 52.933 35.958 1.00 0.00 O +ATOM 3006 H1 WAT 646 54.024 53.532 35.304 1.00 0.00 H +ATOM 3007 H2 WAT 646 53.523 53.479 36.732 1.00 0.00 H +TER +ATOM 3008 O WAT 647 53.361 37.211 49.446 1.00 0.00 O +ATOM 3009 H1 WAT 647 52.647 37.410 50.051 1.00 0.00 H +ATOM 3010 H2 WAT 647 53.781 36.435 49.818 1.00 0.00 H +TER +ATOM 3011 O WAT 648 53.648 51.199 50.433 1.00 0.00 O +ATOM 3012 H1 WAT 648 53.758 50.258 50.292 1.00 0.00 H +ATOM 3013 H2 WAT 648 52.996 51.464 49.784 1.00 0.00 H +TER +ATOM 3014 O WAT 649 61.640 49.470 51.832 1.00 0.00 O +ATOM 3015 H1 WAT 649 61.319 48.751 52.377 1.00 0.00 H +ATOM 3016 H2 WAT 649 60.965 50.146 51.906 1.00 0.00 H +TER +ATOM 3017 O WAT 650 59.681 50.316 36.776 1.00 0.00 O +ATOM 3018 H1 WAT 650 59.672 51.049 36.160 1.00 0.00 H +ATOM 3019 H2 WAT 650 58.761 50.069 36.869 1.00 0.00 H +TER +ATOM 3020 O WAT 651 55.282 45.538 37.520 1.00 0.00 O +ATOM 3021 H1 WAT 651 54.675 46.278 37.530 1.00 0.00 H +ATOM 3022 H2 WAT 651 55.757 45.628 36.694 1.00 0.00 H +TER +ATOM 3023 O WAT 652 64.855 39.703 47.196 1.00 0.00 O +ATOM 3024 H1 WAT 652 65.223 38.882 47.524 1.00 0.00 H +ATOM 3025 H2 WAT 652 63.995 39.763 47.612 1.00 0.00 H +TER +ATOM 3026 O WAT 653 62.667 50.379 35.438 1.00 0.00 O +ATOM 3027 H1 WAT 653 62.768 50.176 34.509 1.00 0.00 H +ATOM 3028 H2 WAT 653 61.767 50.125 35.643 1.00 0.00 H +TER +ATOM 3029 O WAT 654 60.190 40.937 39.421 1.00 0.00 O +ATOM 3030 H1 WAT 654 59.481 41.406 39.862 1.00 0.00 H +ATOM 3031 H2 WAT 654 60.474 40.279 40.055 1.00 0.00 H +TER +ATOM 3032 O WAT 655 61.815 42.357 47.420 1.00 0.00 O +ATOM 3033 H1 WAT 655 62.314 42.831 48.085 1.00 0.00 H +ATOM 3034 H2 WAT 655 61.958 41.433 47.627 1.00 0.00 H +TER +ATOM 3035 O WAT 656 64.221 37.662 40.860 1.00 0.00 O +ATOM 3036 H1 WAT 656 64.098 37.681 39.911 1.00 0.00 H +ATOM 3037 H2 WAT 656 65.170 37.710 40.980 1.00 0.00 H +TER +ATOM 3038 O WAT 657 61.309 52.898 40.133 1.00 0.00 O +ATOM 3039 H1 WAT 657 61.563 52.860 39.211 1.00 0.00 H +ATOM 3040 H2 WAT 657 60.360 52.771 40.126 1.00 0.00 H +TER +ATOM 3041 O WAT 658 58.393 39.246 36.796 1.00 0.00 O +ATOM 3042 H1 WAT 658 59.242 39.683 36.730 1.00 0.00 H +ATOM 3043 H2 WAT 658 58.026 39.558 37.623 1.00 0.00 H +TER +ATOM 3044 O WAT 659 57.292 45.499 35.269 1.00 0.00 O +ATOM 3045 H1 WAT 659 58.059 45.387 35.832 1.00 0.00 H +ATOM 3046 H2 WAT 659 57.370 44.803 34.617 1.00 0.00 H +TER +ATOM 3047 O WAT 660 55.987 42.931 35.953 1.00 0.00 O +ATOM 3048 H1 WAT 660 56.067 41.984 36.064 1.00 0.00 H +ATOM 3049 H2 WAT 660 56.879 43.262 36.059 1.00 0.00 H +TER +ATOM 3050 O WAT 661 56.788 53.081 43.056 1.00 0.00 O +ATOM 3051 H1 WAT 661 57.525 52.532 43.327 1.00 0.00 H +ATOM 3052 H2 WAT 661 57.173 53.947 42.917 1.00 0.00 H +TER +ATOM 3053 O WAT 662 53.673 49.148 38.930 1.00 0.00 O +ATOM 3054 H1 WAT 662 52.747 49.390 38.921 1.00 0.00 H +ATOM 3055 H2 WAT 662 54.139 49.976 38.809 1.00 0.00 H +TER +ATOM 3056 O WAT 663 55.794 52.266 52.245 1.00 0.00 O +ATOM 3057 H1 WAT 663 56.596 52.587 52.658 1.00 0.00 H +ATOM 3058 H2 WAT 663 55.279 51.905 52.967 1.00 0.00 H +TER +ATOM 3059 O WAT 664 59.899 52.254 34.879 1.00 0.00 O +ATOM 3060 H1 WAT 664 60.692 52.543 34.427 1.00 0.00 H +ATOM 3061 H2 WAT 664 59.379 51.823 34.200 1.00 0.00 H +TER +ATOM 3062 O WAT 665 64.631 48.374 52.192 1.00 0.00 O +ATOM 3063 H1 WAT 665 64.025 48.397 51.452 1.00 0.00 H +ATOM 3064 H2 WAT 665 64.326 47.642 52.729 1.00 0.00 H +TER +ATOM 3065 O WAT 666 53.514 44.753 51.188 1.00 0.00 O +ATOM 3066 H1 WAT 666 54.018 44.174 51.760 1.00 0.00 H +ATOM 3067 H2 WAT 666 52.775 45.037 51.726 1.00 0.00 H +TER +ATOM 3068 O WAT 667 60.416 47.474 34.743 1.00 0.00 O +ATOM 3069 H1 WAT 667 60.311 46.860 35.469 1.00 0.00 H +ATOM 3070 H2 WAT 667 60.249 46.951 33.959 1.00 0.00 H +TER +ATOM 3071 O WAT 668 60.568 46.160 50.722 1.00 0.00 O +ATOM 3072 H1 WAT 668 59.802 46.728 50.637 1.00 0.00 H +ATOM 3073 H2 WAT 668 60.749 45.868 49.829 1.00 0.00 H +TER +ATOM 3074 O WAT 669 63.657 46.536 35.347 1.00 0.00 O +ATOM 3075 H1 WAT 669 63.108 46.983 35.991 1.00 0.00 H +ATOM 3076 H2 WAT 669 64.279 46.031 35.871 1.00 0.00 H +TER +ATOM 3077 O WAT 670 55.546 42.896 52.083 1.00 0.00 O +ATOM 3078 H1 WAT 670 55.587 42.597 52.992 1.00 0.00 H +ATOM 3079 H2 WAT 670 56.401 43.297 51.924 1.00 0.00 H +TER +ATOM 3080 O WAT 671 59.324 45.495 37.244 1.00 0.00 O +ATOM 3081 H1 WAT 671 59.746 45.329 38.087 1.00 0.00 H +ATOM 3082 H2 WAT 671 59.449 44.685 36.749 1.00 0.00 H +TER +ATOM 3083 O WAT 672 57.487 41.475 50.051 1.00 0.00 O +ATOM 3084 H1 WAT 672 56.957 40.984 49.423 1.00 0.00 H +ATOM 3085 H2 WAT 672 58.156 41.903 49.516 1.00 0.00 H +TER +ATOM 3086 O WAT 673 61.837 44.519 34.491 1.00 0.00 O +ATOM 3087 H1 WAT 673 62.358 43.804 34.125 1.00 0.00 H +ATOM 3088 H2 WAT 673 62.484 45.158 34.791 1.00 0.00 H +TER +ATOM 3089 O WAT 674 57.974 38.441 50.130 1.00 0.00 O +ATOM 3090 H1 WAT 674 57.880 37.823 49.406 1.00 0.00 H +ATOM 3091 H2 WAT 674 57.394 39.168 49.903 1.00 0.00 H +TER +ATOM 3092 O WAT 675 60.740 36.999 47.163 1.00 0.00 O +ATOM 3093 H1 WAT 675 60.292 37.021 46.318 1.00 0.00 H +ATOM 3094 H2 WAT 675 60.107 36.601 47.760 1.00 0.00 H +TER +ATOM 3095 O WAT 676 61.146 45.894 47.784 1.00 0.00 O +ATOM 3096 H1 WAT 676 61.565 46.737 47.612 1.00 0.00 H +ATOM 3097 H2 WAT 676 60.227 46.031 47.555 1.00 0.00 H +TER +ATOM 3098 O WAT 677 63.483 43.626 49.168 1.00 0.00 O +ATOM 3099 H1 WAT 677 63.602 43.030 49.908 1.00 0.00 H +ATOM 3100 H2 WAT 677 64.342 43.663 48.748 1.00 0.00 H +TER +ATOM 3101 O WAT 678 58.220 41.569 34.189 1.00 0.00 O +ATOM 3102 H1 WAT 678 58.019 40.705 34.551 1.00 0.00 H +ATOM 3103 H2 WAT 678 58.049 41.482 33.252 1.00 0.00 H +TER +ATOM 3104 O WAT 679 58.997 52.199 48.900 1.00 0.00 O +ATOM 3105 H1 WAT 679 58.459 52.924 48.581 1.00 0.00 H +ATOM 3106 H2 WAT 679 59.250 51.722 48.110 1.00 0.00 H +TER +ATOM 3107 O WAT 680 60.250 40.168 50.426 1.00 0.00 O +ATOM 3108 H1 WAT 680 60.839 39.859 51.114 1.00 0.00 H +ATOM 3109 H2 WAT 680 59.432 39.696 50.582 1.00 0.00 H +TER +ATOM 3110 O WAT 681 57.018 38.669 34.177 1.00 0.00 O +ATOM 3111 H1 WAT 681 57.321 38.676 33.269 1.00 0.00 H +ATOM 3112 H2 WAT 681 57.758 38.319 34.674 1.00 0.00 H +TER +ATOM 3113 O WAT 682 61.853 53.434 49.159 1.00 0.00 O +ATOM 3114 H1 WAT 682 61.779 54.338 49.466 1.00 0.00 H +ATOM 3115 H2 WAT 682 60.951 53.116 49.131 1.00 0.00 H +TER +ATOM 3116 O WAT 683 60.237 37.612 35.163 1.00 0.00 O +ATOM 3117 H1 WAT 683 59.889 36.935 34.583 1.00 0.00 H +ATOM 3118 H2 WAT 683 60.438 37.151 35.977 1.00 0.00 H +TER +ATOM 3119 O WAT 684 62.402 52.600 36.781 1.00 0.00 O +ATOM 3120 H1 WAT 684 63.297 52.939 36.803 1.00 0.00 H +ATOM 3121 H2 WAT 684 62.434 51.878 36.154 1.00 0.00 H +TER +ATOM 3122 O WAT 685 56.041 47.973 35.010 1.00 0.00 O +ATOM 3123 H1 WAT 685 56.479 48.516 35.666 1.00 0.00 H +ATOM 3124 H2 WAT 685 56.526 47.148 35.020 1.00 0.00 H +TER +ATOM 3125 O WAT 686 53.256 50.762 42.462 1.00 0.00 O +ATOM 3126 H1 WAT 686 53.586 49.894 42.230 1.00 0.00 H +ATOM 3127 H2 WAT 686 53.685 50.968 43.293 1.00 0.00 H +TER +ATOM 3128 O WAT 687 57.852 49.093 40.122 1.00 0.00 O +ATOM 3129 H1 WAT 687 57.552 48.969 41.023 1.00 0.00 H +ATOM 3130 H2 WAT 687 57.746 48.234 39.714 1.00 0.00 H +TER +ATOM 3131 O WAT 688 53.745 51.629 45.200 1.00 0.00 O +ATOM 3132 H1 WAT 688 53.308 51.809 46.033 1.00 0.00 H +ATOM 3133 H2 WAT 688 54.313 52.386 45.059 1.00 0.00 H +TER +ATOM 3134 O WAT 689 53.577 44.141 41.559 1.00 0.00 O +ATOM 3135 H1 WAT 689 52.922 43.872 40.915 1.00 0.00 H +ATOM 3136 H2 WAT 689 54.415 44.031 41.109 1.00 0.00 H +TER +ATOM 3137 O WAT 690 54.615 44.526 46.100 1.00 0.00 O +ATOM 3138 H1 WAT 690 54.982 44.439 46.979 1.00 0.00 H +ATOM 3139 H2 WAT 690 54.046 43.763 46.000 1.00 0.00 H +TER +ATOM 3140 O WAT 691 54.167 41.437 50.005 1.00 0.00 O +ATOM 3141 H1 WAT 691 53.272 41.404 50.345 1.00 0.00 H +ATOM 3142 H2 WAT 691 54.706 41.636 50.771 1.00 0.00 H +TER +ATOM 3143 O WAT 692 52.791 41.351 37.502 1.00 0.00 O +ATOM 3144 H1 WAT 692 51.888 41.614 37.327 1.00 0.00 H +ATOM 3145 H2 WAT 692 53.275 41.622 36.722 1.00 0.00 H +TER +ATOM 3146 O WAT 693 55.334 40.407 35.411 1.00 0.00 O +ATOM 3147 H1 WAT 693 56.043 39.986 34.926 1.00 0.00 H +ATOM 3148 H2 WAT 693 54.618 40.475 34.780 1.00 0.00 H +TER +ATOM 3149 O WAT 694 54.981 36.461 34.452 1.00 0.00 O +ATOM 3150 H1 WAT 694 55.704 37.002 34.770 1.00 0.00 H +ATOM 3151 H2 WAT 694 55.254 36.188 33.576 1.00 0.00 H +TER +ATOM 3152 O WAT 695 54.671 35.712 44.354 1.00 0.00 O +ATOM 3153 H1 WAT 695 55.318 35.162 43.913 1.00 0.00 H +ATOM 3154 H2 WAT 695 55.091 35.966 45.175 1.00 0.00 H +TER +ATOM 3155 O WAT 696 54.424 35.868 47.096 1.00 0.00 O +ATOM 3156 H1 WAT 696 54.075 36.324 47.862 1.00 0.00 H +ATOM 3157 H2 WAT 696 54.093 34.973 47.179 1.00 0.00 H +TER +ATOM 3158 O WAT 697 56.030 49.040 51.262 1.00 0.00 O +ATOM 3159 H1 WAT 697 55.987 48.669 52.143 1.00 0.00 H +ATOM 3160 H2 WAT 697 56.161 49.977 51.402 1.00 0.00 H +TER +ATOM 3161 O WAT 698 59.731 50.595 46.863 1.00 0.00 O +ATOM 3162 H1 WAT 698 59.490 50.863 45.976 1.00 0.00 H +ATOM 3163 H2 WAT 698 60.671 50.766 46.918 1.00 0.00 H +TER +ATOM 3164 O WAT 699 61.936 37.059 50.618 1.00 0.00 O +ATOM 3165 H1 WAT 699 61.875 37.651 51.368 1.00 0.00 H +ATOM 3166 H2 WAT 699 62.876 36.951 50.473 1.00 0.00 H +TER +ATOM 3167 O WAT 700 64.574 36.716 50.257 1.00 0.00 O +ATOM 3168 H1 WAT 700 65.188 37.034 49.596 1.00 0.00 H +ATOM 3169 H2 WAT 700 65.119 36.231 50.877 1.00 0.00 H +TER +ATOM 3170 O WAT 701 55.096 35.395 50.371 1.00 0.00 O +ATOM 3171 H1 WAT 701 55.644 35.214 49.608 1.00 0.00 H +ATOM 3172 H2 WAT 701 55.161 34.605 50.907 1.00 0.00 H +TER +ATOM 3173 O WAT 702 55.869 51.986 48.381 1.00 0.00 O +ATOM 3174 H1 WAT 702 55.275 51.854 49.120 1.00 0.00 H +ATOM 3175 H2 WAT 702 55.861 51.150 47.916 1.00 0.00 H +TER +ATOM 3176 O WAT 703 65.315 35.279 46.584 1.00 0.00 O +ATOM 3177 H1 WAT 703 64.440 35.612 46.382 1.00 0.00 H +ATOM 3178 H2 WAT 703 65.206 34.806 47.410 1.00 0.00 H +TER +ATOM 3179 O WAT 704 55.500 49.352 47.332 1.00 0.00 O +ATOM 3180 H1 WAT 704 54.774 48.732 47.265 1.00 0.00 H +ATOM 3181 H2 WAT 704 55.561 49.746 46.462 1.00 0.00 H +TER +ATOM 3182 O WAT 705 59.105 51.566 44.117 1.00 0.00 O +ATOM 3183 H1 WAT 705 59.621 50.955 43.592 1.00 0.00 H +ATOM 3184 H2 WAT 705 59.754 52.069 44.608 1.00 0.00 H +TER +ATOM 3185 O WAT 706 61.844 52.457 44.944 1.00 0.00 O +ATOM 3186 H1 WAT 706 62.132 52.202 44.067 1.00 0.00 H +ATOM 3187 H2 WAT 706 62.357 51.905 45.535 1.00 0.00 H +TER +ATOM 3188 O WAT 707 63.062 36.196 45.524 1.00 0.00 O +ATOM 3189 H1 WAT 707 62.279 36.671 45.803 1.00 0.00 H +ATOM 3190 H2 WAT 707 62.768 35.291 45.415 1.00 0.00 H +TER +ATOM 3191 O WAT 708 53.783 52.669 40.542 1.00 0.00 O +ATOM 3192 H1 WAT 708 53.615 52.036 41.240 1.00 0.00 H +ATOM 3193 H2 WAT 708 52.917 52.875 40.191 1.00 0.00 H +TER +ATOM 3194 O WAT 709 54.406 36.501 38.045 1.00 0.00 O +ATOM 3195 H1 WAT 709 55.164 36.614 37.471 1.00 0.00 H +ATOM 3196 H2 WAT 709 53.944 37.338 37.999 1.00 0.00 H +TER +ATOM 3197 O WAT 710 60.947 38.615 41.035 1.00 0.00 O +ATOM 3198 H1 WAT 710 60.135 38.240 40.695 1.00 0.00 H +ATOM 3199 H2 WAT 710 61.452 37.859 41.337 1.00 0.00 H +TER +ATOM 3200 O WAT 711 55.389 51.362 37.987 1.00 0.00 O +ATOM 3201 H1 WAT 711 54.864 51.743 37.283 1.00 0.00 H +ATOM 3202 H2 WAT 711 55.314 51.987 38.708 1.00 0.00 H +TER +ATOM 3203 O WAT 712 56.779 37.027 36.585 1.00 0.00 O +ATOM 3204 H1 WAT 712 57.308 36.240 36.456 1.00 0.00 H +ATOM 3205 H2 WAT 712 57.411 37.706 36.819 1.00 0.00 H +TER +ATOM 3206 O WAT 713 58.972 36.765 39.640 1.00 0.00 O +ATOM 3207 H1 WAT 713 58.343 36.063 39.807 1.00 0.00 H +ATOM 3208 H2 WAT 713 58.433 37.525 39.423 1.00 0.00 H +TER +ATOM 3209 O WAT 714 61.912 53.379 52.311 1.00 0.00 O +ATOM 3210 H1 WAT 714 62.838 53.143 52.354 1.00 0.00 H +ATOM 3211 H2 WAT 714 61.897 54.206 51.829 1.00 0.00 H +TER +ATOM 3212 O WAT 715 59.098 36.043 52.075 1.00 0.00 O +ATOM 3213 H1 WAT 715 58.816 36.546 51.311 1.00 0.00 H +ATOM 3214 H2 WAT 715 59.480 35.245 51.709 1.00 0.00 H +TER +ATOM 3215 O WAT 716 57.989 53.311 36.862 1.00 0.00 O +ATOM 3216 H1 WAT 716 58.721 53.027 36.314 1.00 0.00 H +ATOM 3217 H2 WAT 716 58.248 53.072 37.752 1.00 0.00 H +TER +ATOM 3218 O WAT 717 57.150 49.427 36.866 1.00 0.00 O +ATOM 3219 H1 WAT 717 56.521 49.896 37.415 1.00 0.00 H +ATOM 3220 H2 WAT 717 57.265 48.582 37.301 1.00 0.00 H +TER +ATOM 3221 O WAT 718 64.605 43.478 23.017 1.00 0.00 O +ATOM 3222 H1 WAT 718 64.525 42.563 22.746 1.00 0.00 H +ATOM 3223 H2 WAT 718 64.192 43.974 22.311 1.00 0.00 H +TER +ATOM 3224 O WAT 719 62.737 45.256 24.897 1.00 0.00 O +ATOM 3225 H1 WAT 719 61.961 44.776 25.187 1.00 0.00 H +ATOM 3226 H2 WAT 719 63.388 44.576 24.723 1.00 0.00 H +TER +ATOM 3227 O WAT 720 56.754 45.568 25.775 1.00 0.00 O +ATOM 3228 H1 WAT 720 55.922 45.312 26.175 1.00 0.00 H +ATOM 3229 H2 WAT 720 57.362 45.639 26.511 1.00 0.00 H +TER +ATOM 3230 O WAT 721 56.734 49.602 25.971 1.00 0.00 O +ATOM 3231 H1 WAT 721 57.037 48.711 25.792 1.00 0.00 H +ATOM 3232 H2 WAT 721 57.478 50.159 25.743 1.00 0.00 H +TER +ATOM 3233 O WAT 722 53.126 43.128 25.443 1.00 0.00 O +ATOM 3234 H1 WAT 722 53.698 42.360 25.444 1.00 0.00 H +ATOM 3235 H2 WAT 722 53.126 43.427 24.534 1.00 0.00 H +TER +ATOM 3236 O WAT 723 62.984 51.947 23.298 1.00 0.00 O +ATOM 3237 H1 WAT 723 62.365 52.403 22.727 1.00 0.00 H +ATOM 3238 H2 WAT 723 63.839 52.103 22.897 1.00 0.00 H +TER +ATOM 3239 O WAT 724 62.178 47.931 24.905 1.00 0.00 O +ATOM 3240 H1 WAT 724 62.109 46.990 24.743 1.00 0.00 H +ATOM 3241 H2 WAT 724 62.940 48.021 25.477 1.00 0.00 H +TER +ATOM 3242 O WAT 725 54.369 38.537 27.230 1.00 0.00 O +ATOM 3243 H1 WAT 725 54.189 37.639 27.510 1.00 0.00 H +ATOM 3244 H2 WAT 725 53.967 39.084 27.905 1.00 0.00 H +TER +ATOM 3245 O WAT 726 63.208 40.738 25.131 1.00 0.00 O +ATOM 3246 H1 WAT 726 63.585 39.865 25.019 1.00 0.00 H +ATOM 3247 H2 WAT 726 63.110 41.074 24.240 1.00 0.00 H +TER +ATOM 3248 O WAT 727 57.339 39.111 20.593 1.00 0.00 O +ATOM 3249 H1 WAT 727 57.446 40.011 20.900 1.00 0.00 H +ATOM 3250 H2 WAT 727 56.428 39.063 20.303 1.00 0.00 H +TER +ATOM 3251 O WAT 728 54.987 41.033 25.838 1.00 0.00 O +ATOM 3252 H1 WAT 728 55.668 41.297 26.457 1.00 0.00 H +ATOM 3253 H2 WAT 728 54.672 40.193 26.172 1.00 0.00 H +TER +ATOM 3254 O WAT 729 59.180 42.079 24.926 1.00 0.00 O +ATOM 3255 H1 WAT 729 59.688 42.578 25.566 1.00 0.00 H +ATOM 3256 H2 WAT 729 59.711 41.303 24.750 1.00 0.00 H +TER +ATOM 3257 O WAT 730 57.463 36.719 29.192 1.00 0.00 O +ATOM 3258 H1 WAT 730 57.465 37.237 28.387 1.00 0.00 H +ATOM 3259 H2 WAT 730 56.634 36.242 29.169 1.00 0.00 H +TER +ATOM 3260 O WAT 731 63.850 46.831 20.691 1.00 0.00 O +ATOM 3261 H1 WAT 731 63.232 47.296 20.127 1.00 0.00 H +ATOM 3262 H2 WAT 731 64.363 47.524 21.108 1.00 0.00 H +TER +ATOM 3263 O WAT 732 58.714 46.359 27.369 1.00 0.00 O +ATOM 3264 H1 WAT 732 58.381 46.986 28.011 1.00 0.00 H +ATOM 3265 H2 WAT 732 58.890 46.885 26.590 1.00 0.00 H +TER +ATOM 3266 O WAT 733 57.145 38.430 27.199 1.00 0.00 O +ATOM 3267 H1 WAT 733 57.487 39.275 26.904 1.00 0.00 H +ATOM 3268 H2 WAT 733 56.206 38.579 27.316 1.00 0.00 H +TER +ATOM 3269 O WAT 734 57.926 48.327 29.184 1.00 0.00 O +ATOM 3270 H1 WAT 734 58.543 49.002 28.903 1.00 0.00 H +ATOM 3271 H2 WAT 734 57.065 48.736 29.093 1.00 0.00 H +TER +ATOM 3272 O WAT 735 53.219 47.517 18.065 1.00 0.00 O +ATOM 3273 H1 WAT 735 52.842 48.006 17.333 1.00 0.00 H +ATOM 3274 H2 WAT 735 53.476 48.189 18.696 1.00 0.00 H +TER +ATOM 3275 O WAT 736 60.828 35.919 23.524 1.00 0.00 O +ATOM 3276 H1 WAT 736 61.135 35.363 22.807 1.00 0.00 H +ATOM 3277 H2 WAT 736 59.898 36.053 23.341 1.00 0.00 H +TER +ATOM 3278 O WAT 737 63.216 43.983 20.260 1.00 0.00 O +ATOM 3279 H1 WAT 737 62.289 43.917 20.488 1.00 0.00 H +ATOM 3280 H2 WAT 737 63.368 44.921 20.145 1.00 0.00 H +TER +ATOM 3281 O WAT 738 63.203 40.255 17.256 1.00 0.00 O +ATOM 3282 H1 WAT 738 62.263 40.417 17.341 1.00 0.00 H +ATOM 3283 H2 WAT 738 63.521 40.974 16.710 1.00 0.00 H +TER +ATOM 3284 O WAT 739 58.821 44.510 23.041 1.00 0.00 O +ATOM 3285 H1 WAT 739 58.417 43.798 22.546 1.00 0.00 H +ATOM 3286 H2 WAT 739 58.908 44.165 23.930 1.00 0.00 H +TER +ATOM 3287 O WAT 740 59.290 48.197 25.205 1.00 0.00 O +ATOM 3288 H1 WAT 740 58.992 47.591 24.526 1.00 0.00 H +ATOM 3289 H2 WAT 740 60.240 48.234 25.094 1.00 0.00 H +TER +ATOM 3290 O WAT 741 57.534 41.284 26.821 1.00 0.00 O +ATOM 3291 H1 WAT 741 58.086 41.394 26.047 1.00 0.00 H +ATOM 3292 H2 WAT 741 58.049 41.658 27.537 1.00 0.00 H +TER +ATOM 3293 O WAT 742 58.381 47.935 31.856 1.00 0.00 O +ATOM 3294 H1 WAT 742 57.484 48.159 32.104 1.00 0.00 H +ATOM 3295 H2 WAT 742 58.407 48.058 30.907 1.00 0.00 H +TER +ATOM 3296 O WAT 743 57.209 44.806 30.432 1.00 0.00 O +ATOM 3297 H1 WAT 743 57.069 45.678 30.801 1.00 0.00 H +ATOM 3298 H2 WAT 743 56.327 44.463 30.287 1.00 0.00 H +TER +ATOM 3299 O WAT 744 63.531 49.724 21.738 1.00 0.00 O +ATOM 3300 H1 WAT 744 63.971 50.466 21.324 1.00 0.00 H +ATOM 3301 H2 WAT 744 63.470 49.966 22.662 1.00 0.00 H +TER +ATOM 3302 O WAT 745 59.007 50.748 32.640 1.00 0.00 O +ATOM 3303 H1 WAT 745 58.978 51.153 31.773 1.00 0.00 H +ATOM 3304 H2 WAT 745 58.843 49.819 32.478 1.00 0.00 H +TER +ATOM 3305 O WAT 746 55.522 43.404 20.542 1.00 0.00 O +ATOM 3306 H1 WAT 746 55.402 44.131 19.930 1.00 0.00 H +ATOM 3307 H2 WAT 746 55.212 42.635 20.065 1.00 0.00 H +TER +ATOM 3308 O WAT 747 53.160 46.576 26.349 1.00 0.00 O +ATOM 3309 H1 WAT 747 53.238 46.711 25.405 1.00 0.00 H +ATOM 3310 H2 WAT 747 53.775 45.868 26.542 1.00 0.00 H +TER +ATOM 3311 O WAT 748 54.405 48.276 22.760 1.00 0.00 O +ATOM 3312 H1 WAT 748 53.998 48.417 21.905 1.00 0.00 H +ATOM 3313 H2 WAT 748 55.296 47.992 22.557 1.00 0.00 H +TER +ATOM 3314 O WAT 749 64.223 52.425 29.666 1.00 0.00 O +ATOM 3315 H1 WAT 749 64.738 52.336 30.469 1.00 0.00 H +ATOM 3316 H2 WAT 749 63.380 52.771 29.959 1.00 0.00 H +TER +ATOM 3317 O WAT 750 58.677 52.491 20.872 1.00 0.00 O +ATOM 3318 H1 WAT 750 58.502 51.574 20.659 1.00 0.00 H +ATOM 3319 H2 WAT 750 57.823 52.849 21.112 1.00 0.00 H +TER +ATOM 3320 O WAT 751 53.216 47.617 28.888 1.00 0.00 O +ATOM 3321 H1 WAT 751 53.379 47.148 28.070 1.00 0.00 H +ATOM 3322 H2 WAT 751 53.682 47.110 29.553 1.00 0.00 H +TER +ATOM 3323 O WAT 752 57.988 36.748 23.925 1.00 0.00 O +ATOM 3324 H1 WAT 752 57.545 37.529 23.593 1.00 0.00 H +ATOM 3325 H2 WAT 752 58.547 37.071 24.632 1.00 0.00 H +TER +ATOM 3326 O WAT 753 62.275 39.615 29.528 1.00 0.00 O +ATOM 3327 H1 WAT 753 61.813 39.823 30.340 1.00 0.00 H +ATOM 3328 H2 WAT 753 61.873 38.801 29.225 1.00 0.00 H +TER +ATOM 3329 O WAT 754 64.371 42.336 32.758 1.00 0.00 O +ATOM 3330 H1 WAT 754 64.696 41.502 32.418 1.00 0.00 H +ATOM 3331 H2 WAT 754 65.159 42.859 32.905 1.00 0.00 H +TER +ATOM 3332 O WAT 755 61.104 36.369 18.805 1.00 0.00 O +ATOM 3333 H1 WAT 755 60.480 36.365 19.530 1.00 0.00 H +ATOM 3334 H2 WAT 755 61.017 35.502 18.409 1.00 0.00 H +TER +ATOM 3335 O WAT 756 60.026 37.293 25.783 1.00 0.00 O +ATOM 3336 H1 WAT 756 60.323 38.199 25.703 1.00 0.00 H +ATOM 3337 H2 WAT 756 60.574 36.805 25.169 1.00 0.00 H +TER +ATOM 3338 O WAT 757 57.780 41.871 21.653 1.00 0.00 O +ATOM 3339 H1 WAT 757 57.554 41.655 22.557 1.00 0.00 H +ATOM 3340 H2 WAT 757 56.999 42.304 21.307 1.00 0.00 H +TER +ATOM 3341 O WAT 758 65.009 41.878 20.252 1.00 0.00 O +ATOM 3342 H1 WAT 758 64.410 42.601 20.068 1.00 0.00 H +ATOM 3343 H2 WAT 758 65.557 41.815 19.469 1.00 0.00 H +TER +ATOM 3344 O WAT 759 60.220 42.770 32.319 1.00 0.00 O +ATOM 3345 H1 WAT 759 60.124 41.829 32.169 1.00 0.00 H +ATOM 3346 H2 WAT 759 61.063 42.991 31.923 1.00 0.00 H +TER +ATOM 3347 O WAT 760 63.616 40.514 22.282 1.00 0.00 O +ATOM 3348 H1 WAT 760 64.009 40.831 21.469 1.00 0.00 H +ATOM 3349 H2 WAT 760 63.978 39.635 22.396 1.00 0.00 H +TER +ATOM 3350 O WAT 761 55.351 39.181 30.472 1.00 0.00 O +ATOM 3351 H1 WAT 761 54.957 40.029 30.679 1.00 0.00 H +ATOM 3352 H2 WAT 761 54.662 38.544 30.663 1.00 0.00 H +TER +ATOM 3353 O WAT 762 61.925 39.265 33.542 1.00 0.00 O +ATOM 3354 H1 WAT 762 61.235 39.072 34.176 1.00 0.00 H +ATOM 3355 H2 WAT 762 62.668 39.548 34.074 1.00 0.00 H +TER +ATOM 3356 O WAT 763 52.652 37.104 24.505 1.00 0.00 O +ATOM 3357 H1 WAT 763 52.364 37.674 25.218 1.00 0.00 H +ATOM 3358 H2 WAT 763 53.397 36.625 24.868 1.00 0.00 H +TER +ATOM 3359 O WAT 764 64.201 43.105 26.377 1.00 0.00 O +ATOM 3360 H1 WAT 764 63.470 43.613 26.726 1.00 0.00 H +ATOM 3361 H2 WAT 764 63.804 42.288 26.076 1.00 0.00 H +TER +ATOM 3362 O WAT 765 60.639 39.780 24.782 1.00 0.00 O +ATOM 3363 H1 WAT 765 60.643 39.339 23.933 1.00 0.00 H +ATOM 3364 H2 WAT 765 61.534 40.102 24.890 1.00 0.00 H +TER +ATOM 3365 O WAT 766 56.489 39.663 23.742 1.00 0.00 O +ATOM 3366 H1 WAT 766 56.149 40.140 24.498 1.00 0.00 H +ATOM 3367 H2 WAT 766 55.727 39.209 23.382 1.00 0.00 H +TER +ATOM 3368 O WAT 767 60.701 40.781 17.773 1.00 0.00 O +ATOM 3369 H1 WAT 767 60.822 40.740 18.722 1.00 0.00 H +ATOM 3370 H2 WAT 767 60.316 41.644 17.618 1.00 0.00 H +TER +ATOM 3371 O WAT 768 64.664 38.558 25.789 1.00 0.00 O +ATOM 3372 H1 WAT 768 64.681 39.009 26.634 1.00 0.00 H +ATOM 3373 H2 WAT 768 64.416 37.658 26.003 1.00 0.00 H +TER +ATOM 3374 O WAT 769 59.713 43.091 17.171 1.00 0.00 O +ATOM 3375 H1 WAT 769 59.145 42.643 16.545 1.00 0.00 H +ATOM 3376 H2 WAT 769 60.422 43.451 16.638 1.00 0.00 H +TER +ATOM 3377 O WAT 770 54.790 46.993 31.048 1.00 0.00 O +ATOM 3378 H1 WAT 770 54.406 46.352 31.646 1.00 0.00 H +ATOM 3379 H2 WAT 770 55.101 47.696 31.618 1.00 0.00 H +TER +ATOM 3380 O WAT 771 60.940 43.840 26.529 1.00 0.00 O +ATOM 3381 H1 WAT 771 61.307 43.366 27.275 1.00 0.00 H +ATOM 3382 H2 WAT 771 60.750 44.714 26.870 1.00 0.00 H +TER +ATOM 3383 O WAT 772 53.804 38.585 22.658 1.00 0.00 O +ATOM 3384 H1 WAT 772 53.519 38.220 23.496 1.00 0.00 H +ATOM 3385 H2 WAT 772 53.742 37.853 22.045 1.00 0.00 H +TER +ATOM 3386 O WAT 773 58.730 42.881 28.847 1.00 0.00 O +ATOM 3387 H1 WAT 773 58.426 43.760 29.072 1.00 0.00 H +ATOM 3388 H2 WAT 773 59.685 42.941 28.883 1.00 0.00 H +TER +ATOM 3389 O WAT 774 57.258 47.087 19.444 1.00 0.00 O +ATOM 3390 H1 WAT 774 56.484 46.547 19.284 1.00 0.00 H +ATOM 3391 H2 WAT 774 57.988 46.568 19.106 1.00 0.00 H +TER +ATOM 3392 O WAT 775 63.478 37.477 19.380 1.00 0.00 O +ATOM 3393 H1 WAT 775 62.664 36.979 19.304 1.00 0.00 H +ATOM 3394 H2 WAT 775 63.284 38.317 18.963 1.00 0.00 H +TER +ATOM 3395 O WAT 776 63.399 46.155 31.124 1.00 0.00 O +ATOM 3396 H1 WAT 776 63.332 45.234 30.869 1.00 0.00 H +ATOM 3397 H2 WAT 776 62.769 46.252 31.838 1.00 0.00 H +TER +ATOM 3398 O WAT 777 57.302 46.755 23.082 1.00 0.00 O +ATOM 3399 H1 WAT 777 57.820 45.952 23.028 1.00 0.00 H +ATOM 3400 H2 WAT 777 56.850 46.693 23.924 1.00 0.00 H +TER +ATOM 3401 O WAT 778 62.189 48.022 18.355 1.00 0.00 O +ATOM 3402 H1 WAT 778 62.530 48.766 17.859 1.00 0.00 H +ATOM 3403 H2 WAT 778 61.360 48.335 18.717 1.00 0.00 H +TER +ATOM 3404 O WAT 779 54.786 43.721 29.994 1.00 0.00 O +ATOM 3405 H1 WAT 779 54.428 44.387 30.582 1.00 0.00 H +ATOM 3406 H2 WAT 779 54.492 42.890 30.366 1.00 0.00 H +TER +ATOM 3407 O WAT 780 57.988 44.180 32.878 1.00 0.00 O +ATOM 3408 H1 WAT 780 57.688 44.325 31.981 1.00 0.00 H +ATOM 3409 H2 WAT 780 58.759 43.620 32.786 1.00 0.00 H +TER +ATOM 3410 O WAT 781 63.330 48.977 30.874 1.00 0.00 O +ATOM 3411 H1 WAT 781 63.345 48.045 30.656 1.00 0.00 H +ATOM 3412 H2 WAT 781 62.623 49.063 31.513 1.00 0.00 H +TER +ATOM 3413 O WAT 782 65.072 47.343 23.719 1.00 0.00 O +ATOM 3414 H1 WAT 782 65.424 46.746 23.059 1.00 0.00 H +ATOM 3415 H2 WAT 782 64.188 47.018 23.890 1.00 0.00 H +TER +ATOM 3416 O WAT 783 61.158 48.103 21.126 1.00 0.00 O +ATOM 3417 H1 WAT 783 61.845 48.650 21.507 1.00 0.00 H +ATOM 3418 H2 WAT 783 60.371 48.647 21.161 1.00 0.00 H +TER +ATOM 3419 O WAT 784 53.297 43.720 16.618 1.00 0.00 O +ATOM 3420 H1 WAT 784 54.167 44.003 16.902 1.00 0.00 H +ATOM 3421 H2 WAT 784 52.806 44.534 16.503 1.00 0.00 H +TER +ATOM 3422 O WAT 785 60.461 45.108 20.739 1.00 0.00 O +ATOM 3423 H1 WAT 785 60.917 45.918 20.965 1.00 0.00 H +ATOM 3424 H2 WAT 785 60.109 44.790 21.571 1.00 0.00 H +TER +ATOM 3425 O WAT 786 62.764 50.618 27.968 1.00 0.00 O +ATOM 3426 H1 WAT 786 63.408 50.824 28.645 1.00 0.00 H +ATOM 3427 H2 WAT 786 63.127 49.857 27.515 1.00 0.00 H +TER +ATOM 3428 O WAT 787 56.362 35.452 21.211 1.00 0.00 O +ATOM 3429 H1 WAT 787 56.233 35.443 22.160 1.00 0.00 H +ATOM 3430 H2 WAT 787 55.538 35.790 20.860 1.00 0.00 H +TER +ATOM 3431 O WAT 788 64.037 48.622 26.686 1.00 0.00 O +ATOM 3432 H1 WAT 788 64.679 47.921 26.799 1.00 0.00 H +ATOM 3433 H2 WAT 788 64.562 49.401 26.505 1.00 0.00 H +TER +ATOM 3434 O WAT 789 53.664 52.933 17.184 1.00 0.00 O +ATOM 3435 H1 WAT 789 54.024 53.532 16.530 1.00 0.00 H +ATOM 3436 H2 WAT 789 53.523 53.479 17.958 1.00 0.00 H +TER +ATOM 3437 O WAT 790 53.361 37.211 30.672 1.00 0.00 O +ATOM 3438 H1 WAT 790 52.647 37.410 31.277 1.00 0.00 H +ATOM 3439 H2 WAT 790 53.781 36.435 31.043 1.00 0.00 H +TER +ATOM 3440 O WAT 791 53.648 51.199 31.658 1.00 0.00 O +ATOM 3441 H1 WAT 791 53.758 50.258 31.518 1.00 0.00 H +ATOM 3442 H2 WAT 791 52.996 51.464 31.010 1.00 0.00 H +TER +ATOM 3443 O WAT 792 61.640 49.470 33.058 1.00 0.00 O +ATOM 3444 H1 WAT 792 61.319 48.751 33.603 1.00 0.00 H +ATOM 3445 H2 WAT 792 60.965 50.146 33.132 1.00 0.00 H +TER +ATOM 3446 O WAT 793 59.681 50.316 18.001 1.00 0.00 O +ATOM 3447 H1 WAT 793 59.672 51.049 17.386 1.00 0.00 H +ATOM 3448 H2 WAT 793 58.761 50.069 18.094 1.00 0.00 H +TER +ATOM 3449 O WAT 794 55.282 45.538 18.746 1.00 0.00 O +ATOM 3450 H1 WAT 794 54.675 46.278 18.756 1.00 0.00 H +ATOM 3451 H2 WAT 794 55.757 45.628 17.920 1.00 0.00 H +TER +ATOM 3452 O WAT 795 64.855 39.703 28.422 1.00 0.00 O +ATOM 3453 H1 WAT 795 65.223 38.882 28.750 1.00 0.00 H +ATOM 3454 H2 WAT 795 63.995 39.763 28.837 1.00 0.00 H +TER +ATOM 3455 O WAT 796 62.667 50.379 16.664 1.00 0.00 O +ATOM 3456 H1 WAT 796 62.768 50.176 15.734 1.00 0.00 H +ATOM 3457 H2 WAT 796 61.767 50.125 16.869 1.00 0.00 H +TER +ATOM 3458 O WAT 797 60.190 40.937 20.646 1.00 0.00 O +ATOM 3459 H1 WAT 797 59.481 41.406 21.088 1.00 0.00 H +ATOM 3460 H2 WAT 797 60.474 40.279 21.281 1.00 0.00 H +TER +ATOM 3461 O WAT 798 61.815 42.357 28.646 1.00 0.00 O +ATOM 3462 H1 WAT 798 62.314 42.831 29.311 1.00 0.00 H +ATOM 3463 H2 WAT 798 61.958 41.433 28.853 1.00 0.00 H +TER +ATOM 3464 O WAT 799 64.221 37.662 22.086 1.00 0.00 O +ATOM 3465 H1 WAT 799 64.098 37.681 21.137 1.00 0.00 H +ATOM 3466 H2 WAT 799 65.170 37.710 22.206 1.00 0.00 H +TER +ATOM 3467 O WAT 800 61.309 52.898 21.359 1.00 0.00 O +ATOM 3468 H1 WAT 800 61.563 52.860 20.437 1.00 0.00 H +ATOM 3469 H2 WAT 800 60.360 52.771 21.352 1.00 0.00 H +TER +ATOM 3470 O WAT 801 58.393 39.246 18.021 1.00 0.00 O +ATOM 3471 H1 WAT 801 59.242 39.683 17.955 1.00 0.00 H +ATOM 3472 H2 WAT 801 58.026 39.558 18.849 1.00 0.00 H +TER +ATOM 3473 O WAT 802 57.292 45.499 16.495 1.00 0.00 O +ATOM 3474 H1 WAT 802 58.059 45.387 17.058 1.00 0.00 H +ATOM 3475 H2 WAT 802 57.370 44.803 15.843 1.00 0.00 H +TER +ATOM 3476 O WAT 803 55.987 42.931 17.178 1.00 0.00 O +ATOM 3477 H1 WAT 803 56.067 41.984 17.290 1.00 0.00 H +ATOM 3478 H2 WAT 803 56.879 43.262 17.284 1.00 0.00 H +TER +ATOM 3479 O WAT 804 56.788 53.081 24.282 1.00 0.00 O +ATOM 3480 H1 WAT 804 57.525 52.532 24.553 1.00 0.00 H +ATOM 3481 H2 WAT 804 57.173 53.947 24.142 1.00 0.00 H +TER +ATOM 3482 O WAT 805 53.673 49.148 20.156 1.00 0.00 O +ATOM 3483 H1 WAT 805 52.747 49.390 20.146 1.00 0.00 H +ATOM 3484 H2 WAT 805 54.139 49.976 20.034 1.00 0.00 H +TER +ATOM 3485 O WAT 806 55.794 52.266 33.470 1.00 0.00 O +ATOM 3486 H1 WAT 806 56.596 52.587 33.884 1.00 0.00 H +ATOM 3487 H2 WAT 806 55.279 51.905 34.192 1.00 0.00 H +TER +ATOM 3488 O WAT 807 59.899 52.254 16.104 1.00 0.00 O +ATOM 3489 H1 WAT 807 60.692 52.543 15.652 1.00 0.00 H +ATOM 3490 H2 WAT 807 59.379 51.823 15.426 1.00 0.00 H +TER +ATOM 3491 O WAT 808 64.631 48.374 33.418 1.00 0.00 O +ATOM 3492 H1 WAT 808 64.025 48.397 32.677 1.00 0.00 H +ATOM 3493 H2 WAT 808 64.326 47.642 33.955 1.00 0.00 H +TER +ATOM 3494 O WAT 809 53.514 44.753 32.414 1.00 0.00 O +ATOM 3495 H1 WAT 809 54.018 44.174 32.986 1.00 0.00 H +ATOM 3496 H2 WAT 809 52.775 45.037 32.952 1.00 0.00 H +TER +ATOM 3497 O WAT 810 60.416 47.474 15.969 1.00 0.00 O +ATOM 3498 H1 WAT 810 60.311 46.860 16.695 1.00 0.00 H +ATOM 3499 H2 WAT 810 60.249 46.951 15.185 1.00 0.00 H +TER +ATOM 3500 O WAT 811 60.568 46.160 31.947 1.00 0.00 O +ATOM 3501 H1 WAT 811 59.802 46.728 31.863 1.00 0.00 H +ATOM 3502 H2 WAT 811 60.749 45.868 31.054 1.00 0.00 H +TER +ATOM 3503 O WAT 812 63.657 46.536 16.573 1.00 0.00 O +ATOM 3504 H1 WAT 812 63.108 46.983 17.217 1.00 0.00 H +ATOM 3505 H2 WAT 812 64.279 46.031 17.096 1.00 0.00 H +TER +ATOM 3506 O WAT 813 55.546 42.896 33.309 1.00 0.00 O +ATOM 3507 H1 WAT 813 55.587 42.597 34.217 1.00 0.00 H +ATOM 3508 H2 WAT 813 56.401 43.297 33.150 1.00 0.00 H +TER +ATOM 3509 O WAT 814 59.324 45.495 18.469 1.00 0.00 O +ATOM 3510 H1 WAT 814 59.746 45.329 19.312 1.00 0.00 H +ATOM 3511 H2 WAT 814 59.449 44.685 17.975 1.00 0.00 H +TER +ATOM 3512 O WAT 815 57.487 41.475 31.276 1.00 0.00 O +ATOM 3513 H1 WAT 815 56.957 40.984 30.649 1.00 0.00 H +ATOM 3514 H2 WAT 815 58.156 41.903 30.742 1.00 0.00 H +TER +ATOM 3515 O WAT 816 61.837 44.519 15.717 1.00 0.00 O +ATOM 3516 H1 WAT 816 62.358 43.804 15.351 1.00 0.00 H +ATOM 3517 H2 WAT 816 62.484 45.158 16.017 1.00 0.00 H +TER +ATOM 3518 O WAT 817 57.974 38.441 31.356 1.00 0.00 O +ATOM 3519 H1 WAT 817 57.880 37.823 30.631 1.00 0.00 H +ATOM 3520 H2 WAT 817 57.394 39.168 31.129 1.00 0.00 H +TER +ATOM 3521 O WAT 818 60.740 36.999 28.389 1.00 0.00 O +ATOM 3522 H1 WAT 818 60.292 37.021 27.543 1.00 0.00 H +ATOM 3523 H2 WAT 818 60.107 36.601 28.986 1.00 0.00 H +TER +ATOM 3524 O WAT 819 61.146 45.894 29.010 1.00 0.00 O +ATOM 3525 H1 WAT 819 61.565 46.737 28.838 1.00 0.00 H +ATOM 3526 H2 WAT 819 60.227 46.031 28.781 1.00 0.00 H +TER +ATOM 3527 O WAT 820 63.483 43.626 30.394 1.00 0.00 O +ATOM 3528 H1 WAT 820 63.602 43.030 31.133 1.00 0.00 H +ATOM 3529 H2 WAT 820 64.342 43.663 29.974 1.00 0.00 H +TER +ATOM 3530 O WAT 821 58.220 41.569 15.415 1.00 0.00 O +ATOM 3531 H1 WAT 821 58.019 40.705 15.776 1.00 0.00 H +ATOM 3532 H2 WAT 821 58.049 41.482 14.477 1.00 0.00 H +TER +ATOM 3533 O WAT 822 58.997 52.199 30.126 1.00 0.00 O +ATOM 3534 H1 WAT 822 58.459 52.924 29.807 1.00 0.00 H +ATOM 3535 H2 WAT 822 59.250 51.722 29.336 1.00 0.00 H +TER +ATOM 3536 O WAT 823 60.250 40.168 31.651 1.00 0.00 O +ATOM 3537 H1 WAT 823 60.839 39.859 32.339 1.00 0.00 H +ATOM 3538 H2 WAT 823 59.432 39.696 31.807 1.00 0.00 H +TER +ATOM 3539 O WAT 824 57.018 38.669 15.403 1.00 0.00 O +ATOM 3540 H1 WAT 824 57.321 38.676 14.495 1.00 0.00 H +ATOM 3541 H2 WAT 824 57.758 38.319 15.900 1.00 0.00 H +TER +ATOM 3542 O WAT 825 61.853 53.434 30.385 1.00 0.00 O +ATOM 3543 H1 WAT 825 61.779 54.338 30.692 1.00 0.00 H +ATOM 3544 H2 WAT 825 60.951 53.116 30.357 1.00 0.00 H +TER +ATOM 3545 O WAT 826 60.237 37.612 16.388 1.00 0.00 O +ATOM 3546 H1 WAT 826 59.889 36.935 15.809 1.00 0.00 H +ATOM 3547 H2 WAT 826 60.438 37.151 17.203 1.00 0.00 H +TER +ATOM 3548 O WAT 827 62.402 52.600 18.007 1.00 0.00 O +ATOM 3549 H1 WAT 827 63.297 52.939 18.029 1.00 0.00 H +ATOM 3550 H2 WAT 827 62.434 51.878 17.380 1.00 0.00 H +TER +ATOM 3551 O WAT 828 56.041 47.973 16.236 1.00 0.00 O +ATOM 3552 H1 WAT 828 56.479 48.516 16.892 1.00 0.00 H +ATOM 3553 H2 WAT 828 56.526 47.148 16.245 1.00 0.00 H +TER +ATOM 3554 O WAT 829 53.256 50.762 23.688 1.00 0.00 O +ATOM 3555 H1 WAT 829 53.586 49.894 23.456 1.00 0.00 H +ATOM 3556 H2 WAT 829 53.685 50.968 24.518 1.00 0.00 H +TER +ATOM 3557 O WAT 830 57.852 49.093 21.348 1.00 0.00 O +ATOM 3558 H1 WAT 830 57.552 48.969 22.248 1.00 0.00 H +ATOM 3559 H2 WAT 830 57.746 48.234 20.940 1.00 0.00 H +TER +ATOM 3560 O WAT 831 53.745 51.629 26.426 1.00 0.00 O +ATOM 3561 H1 WAT 831 53.308 51.809 27.258 1.00 0.00 H +ATOM 3562 H2 WAT 831 54.313 52.386 26.284 1.00 0.00 H +TER +ATOM 3563 O WAT 832 53.577 44.141 22.785 1.00 0.00 O +ATOM 3564 H1 WAT 832 52.922 43.872 22.141 1.00 0.00 H +ATOM 3565 H2 WAT 832 54.415 44.031 22.335 1.00 0.00 H +TER +ATOM 3566 O WAT 833 54.615 44.526 27.325 1.00 0.00 O +ATOM 3567 H1 WAT 833 54.982 44.439 28.205 1.00 0.00 H +ATOM 3568 H2 WAT 833 54.046 43.763 27.226 1.00 0.00 H +TER +ATOM 3569 O WAT 834 54.167 41.437 31.231 1.00 0.00 O +ATOM 3570 H1 WAT 834 53.272 41.404 31.570 1.00 0.00 H +ATOM 3571 H2 WAT 834 54.706 41.636 31.996 1.00 0.00 H +TER +ATOM 3572 O WAT 835 55.334 40.407 16.637 1.00 0.00 O +ATOM 3573 H1 WAT 835 56.043 39.986 16.152 1.00 0.00 H +ATOM 3574 H2 WAT 835 54.618 40.475 16.005 1.00 0.00 H +TER +ATOM 3575 O WAT 836 54.981 36.461 15.677 1.00 0.00 O +ATOM 3576 H1 WAT 836 55.704 37.002 15.995 1.00 0.00 H +ATOM 3577 H2 WAT 836 55.254 36.188 14.801 1.00 0.00 H +TER +ATOM 3578 O WAT 837 54.671 35.712 25.579 1.00 0.00 O +ATOM 3579 H1 WAT 837 55.318 35.162 25.139 1.00 0.00 H +ATOM 3580 H2 WAT 837 55.091 35.966 26.401 1.00 0.00 H +TER +ATOM 3581 O WAT 838 54.424 35.868 28.322 1.00 0.00 O +ATOM 3582 H1 WAT 838 54.075 36.324 29.088 1.00 0.00 H +ATOM 3583 H2 WAT 838 54.093 34.973 28.404 1.00 0.00 H +TER +ATOM 3584 O WAT 839 56.030 49.040 32.487 1.00 0.00 O +ATOM 3585 H1 WAT 839 55.987 48.669 33.369 1.00 0.00 H +ATOM 3586 H2 WAT 839 56.161 49.977 32.627 1.00 0.00 H +TER +ATOM 3587 O WAT 840 59.731 50.595 28.088 1.00 0.00 O +ATOM 3588 H1 WAT 840 59.490 50.863 27.201 1.00 0.00 H +ATOM 3589 H2 WAT 840 60.671 50.766 28.143 1.00 0.00 H +TER +ATOM 3590 O WAT 841 61.936 37.059 31.844 1.00 0.00 O +ATOM 3591 H1 WAT 841 61.875 37.651 32.593 1.00 0.00 H +ATOM 3592 H2 WAT 841 62.876 36.951 31.699 1.00 0.00 H +TER +ATOM 3593 O WAT 842 64.574 36.716 31.483 1.00 0.00 O +ATOM 3594 H1 WAT 842 65.188 37.034 30.821 1.00 0.00 H +ATOM 3595 H2 WAT 842 65.119 36.231 32.103 1.00 0.00 H +TER +ATOM 3596 O WAT 843 55.096 35.395 31.597 1.00 0.00 O +ATOM 3597 H1 WAT 843 55.644 35.214 30.834 1.00 0.00 H +ATOM 3598 H2 WAT 843 55.161 34.605 32.133 1.00 0.00 H +TER +ATOM 3599 O WAT 844 55.869 51.986 29.607 1.00 0.00 O +ATOM 3600 H1 WAT 844 55.275 51.854 30.346 1.00 0.00 H +ATOM 3601 H2 WAT 844 55.861 51.150 29.141 1.00 0.00 H +TER +ATOM 3602 O WAT 845 65.315 35.279 27.810 1.00 0.00 O +ATOM 3603 H1 WAT 845 64.440 35.612 27.607 1.00 0.00 H +ATOM 3604 H2 WAT 845 65.206 34.806 28.635 1.00 0.00 H +TER +ATOM 3605 O WAT 846 55.500 49.352 28.558 1.00 0.00 O +ATOM 3606 H1 WAT 846 54.774 48.732 28.490 1.00 0.00 H +ATOM 3607 H2 WAT 846 55.561 49.746 27.688 1.00 0.00 H +TER +ATOM 3608 O WAT 847 59.105 51.566 25.343 1.00 0.00 O +ATOM 3609 H1 WAT 847 59.621 50.955 24.818 1.00 0.00 H +ATOM 3610 H2 WAT 847 59.754 52.069 25.834 1.00 0.00 H +TER +ATOM 3611 O WAT 848 61.844 52.457 26.170 1.00 0.00 O +ATOM 3612 H1 WAT 848 62.132 52.202 25.293 1.00 0.00 H +ATOM 3613 H2 WAT 848 62.357 51.905 26.760 1.00 0.00 H +TER +ATOM 3614 O WAT 849 63.062 36.196 26.749 1.00 0.00 O +ATOM 3615 H1 WAT 849 62.279 36.671 27.029 1.00 0.00 H +ATOM 3616 H2 WAT 849 62.768 35.291 26.641 1.00 0.00 H +TER +ATOM 3617 O WAT 850 53.783 52.669 21.768 1.00 0.00 O +ATOM 3618 H1 WAT 850 53.615 52.036 22.466 1.00 0.00 H +ATOM 3619 H2 WAT 850 52.917 52.875 21.417 1.00 0.00 H +TER +ATOM 3620 O WAT 851 54.406 36.501 19.271 1.00 0.00 O +ATOM 3621 H1 WAT 851 55.164 36.614 18.697 1.00 0.00 H +ATOM 3622 H2 WAT 851 53.944 37.338 19.225 1.00 0.00 H +TER +ATOM 3623 O WAT 852 60.947 38.615 22.261 1.00 0.00 O +ATOM 3624 H1 WAT 852 60.135 38.240 21.921 1.00 0.00 H +ATOM 3625 H2 WAT 852 61.452 37.859 22.563 1.00 0.00 H +TER +ATOM 3626 O WAT 853 55.389 51.362 19.213 1.00 0.00 O +ATOM 3627 H1 WAT 853 54.864 51.743 18.509 1.00 0.00 H +ATOM 3628 H2 WAT 853 55.314 51.987 19.934 1.00 0.00 H +TER +ATOM 3629 O WAT 854 56.779 37.027 17.811 1.00 0.00 O +ATOM 3630 H1 WAT 854 57.308 36.240 17.682 1.00 0.00 H +ATOM 3631 H2 WAT 854 57.411 37.706 18.044 1.00 0.00 H +TER +ATOM 3632 O WAT 855 58.972 36.765 20.865 1.00 0.00 O +ATOM 3633 H1 WAT 855 58.343 36.063 21.032 1.00 0.00 H +ATOM 3634 H2 WAT 855 58.433 37.525 20.649 1.00 0.00 H +TER +ATOM 3635 O WAT 856 61.912 53.379 33.537 1.00 0.00 O +ATOM 3636 H1 WAT 856 62.838 53.143 33.580 1.00 0.00 H +ATOM 3637 H2 WAT 856 61.897 54.206 33.055 1.00 0.00 H +TER +ATOM 3638 O WAT 857 59.098 36.043 33.301 1.00 0.00 O +ATOM 3639 H1 WAT 857 58.816 36.546 32.537 1.00 0.00 H +ATOM 3640 H2 WAT 857 59.480 35.245 32.935 1.00 0.00 H +TER +ATOM 3641 O WAT 858 57.989 53.311 18.087 1.00 0.00 O +ATOM 3642 H1 WAT 858 58.721 53.027 17.540 1.00 0.00 H +ATOM 3643 H2 WAT 858 58.248 53.072 18.977 1.00 0.00 H +TER +ATOM 3644 O WAT 859 57.150 49.427 18.092 1.00 0.00 O +ATOM 3645 H1 WAT 859 56.521 49.896 18.641 1.00 0.00 H +ATOM 3646 H2 WAT 859 57.265 48.582 18.527 1.00 0.00 H +TER +ATOM 3647 O WAT 860 64.605 43.478 4.242 1.00 0.00 O +ATOM 3648 H1 WAT 860 64.525 42.563 3.971 1.00 0.00 H +ATOM 3649 H2 WAT 860 64.192 43.974 3.536 1.00 0.00 H +TER +ATOM 3650 O WAT 861 62.737 45.256 6.123 1.00 0.00 O +ATOM 3651 H1 WAT 861 61.961 44.776 6.413 1.00 0.00 H +ATOM 3652 H2 WAT 861 63.388 44.576 5.949 1.00 0.00 H +TER +ATOM 3653 O WAT 862 56.754 45.568 7.001 1.00 0.00 O +ATOM 3654 H1 WAT 862 55.922 45.312 7.400 1.00 0.00 H +ATOM 3655 H2 WAT 862 57.362 45.639 7.737 1.00 0.00 H +TER +ATOM 3656 O WAT 863 56.734 49.602 7.197 1.00 0.00 O +ATOM 3657 H1 WAT 863 57.037 48.711 7.018 1.00 0.00 H +ATOM 3658 H2 WAT 863 57.478 50.159 6.969 1.00 0.00 H +TER +ATOM 3659 O WAT 864 53.126 43.128 6.669 1.00 0.00 O +ATOM 3660 H1 WAT 864 53.698 42.360 6.669 1.00 0.00 H +ATOM 3661 H2 WAT 864 53.126 43.427 5.760 1.00 0.00 H +TER +ATOM 3662 O WAT 865 62.984 51.947 4.523 1.00 0.00 O +ATOM 3663 H1 WAT 865 62.365 52.403 3.953 1.00 0.00 H +ATOM 3664 H2 WAT 865 63.839 52.103 4.122 1.00 0.00 H +TER +ATOM 3665 O WAT 866 62.178 47.931 6.130 1.00 0.00 O +ATOM 3666 H1 WAT 866 62.109 46.990 5.969 1.00 0.00 H +ATOM 3667 H2 WAT 866 62.940 48.021 6.702 1.00 0.00 H +TER +ATOM 3668 O WAT 867 54.369 38.537 8.456 1.00 0.00 O +ATOM 3669 H1 WAT 867 54.189 37.639 8.736 1.00 0.00 H +ATOM 3670 H2 WAT 867 53.967 39.084 9.131 1.00 0.00 H +TER +ATOM 3671 O WAT 868 63.208 40.738 6.357 1.00 0.00 O +ATOM 3672 H1 WAT 868 63.585 39.865 6.244 1.00 0.00 H +ATOM 3673 H2 WAT 868 63.110 41.074 5.466 1.00 0.00 H +TER +ATOM 3674 O WAT 869 54.987 41.033 7.064 1.00 0.00 O +ATOM 3675 H1 WAT 869 55.668 41.297 7.683 1.00 0.00 H +ATOM 3676 H2 WAT 869 54.672 40.193 7.398 1.00 0.00 H +TER +ATOM 3677 O WAT 870 59.180 42.079 6.151 1.00 0.00 O +ATOM 3678 H1 WAT 870 59.688 42.578 6.792 1.00 0.00 H +ATOM 3679 H2 WAT 870 59.711 41.303 5.975 1.00 0.00 H +TER +ATOM 3680 O WAT 871 57.463 36.719 10.418 1.00 0.00 O +ATOM 3681 H1 WAT 871 57.465 37.237 9.612 1.00 0.00 H +ATOM 3682 H2 WAT 871 56.634 36.242 10.395 1.00 0.00 H +TER +ATOM 3683 O WAT 872 58.714 46.359 8.595 1.00 0.00 O +ATOM 3684 H1 WAT 872 58.381 46.986 9.237 1.00 0.00 H +ATOM 3685 H2 WAT 872 58.890 46.885 7.815 1.00 0.00 H +TER +ATOM 3686 O WAT 873 57.145 38.430 8.425 1.00 0.00 O +ATOM 3687 H1 WAT 873 57.487 39.275 8.130 1.00 0.00 H +ATOM 3688 H2 WAT 873 56.206 38.579 8.541 1.00 0.00 H +TER +ATOM 3689 O WAT 874 57.926 48.327 10.410 1.00 0.00 O +ATOM 3690 H1 WAT 874 58.543 49.002 10.128 1.00 0.00 H +ATOM 3691 H2 WAT 874 57.065 48.736 10.319 1.00 0.00 H +TER +ATOM 3692 O WAT 875 60.828 35.919 4.749 1.00 0.00 O +ATOM 3693 H1 WAT 875 61.135 35.363 4.033 1.00 0.00 H +ATOM 3694 H2 WAT 875 59.898 36.053 4.566 1.00 0.00 H +TER +ATOM 3695 O WAT 876 58.821 44.510 4.267 1.00 0.00 O +ATOM 3696 H1 WAT 876 58.417 43.798 3.772 1.00 0.00 H +ATOM 3697 H2 WAT 876 58.908 44.165 5.156 1.00 0.00 H +TER +ATOM 3698 O WAT 877 59.290 48.197 6.431 1.00 0.00 O +ATOM 3699 H1 WAT 877 58.992 47.591 5.752 1.00 0.00 H +ATOM 3700 H2 WAT 877 60.240 48.234 6.320 1.00 0.00 H +TER +ATOM 3701 O WAT 878 57.534 41.284 8.047 1.00 0.00 O +ATOM 3702 H1 WAT 878 58.086 41.394 7.272 1.00 0.00 H +ATOM 3703 H2 WAT 878 58.049 41.658 8.763 1.00 0.00 H +TER +ATOM 3704 O WAT 879 58.381 47.935 13.082 1.00 0.00 O +ATOM 3705 H1 WAT 879 57.484 48.159 13.329 1.00 0.00 H +ATOM 3706 H2 WAT 879 58.407 48.058 12.133 1.00 0.00 H +TER +ATOM 3707 O WAT 880 57.209 44.806 11.658 1.00 0.00 O +ATOM 3708 H1 WAT 880 57.069 45.678 12.026 1.00 0.00 H +ATOM 3709 H2 WAT 880 56.327 44.463 11.512 1.00 0.00 H +TER +ATOM 3710 O WAT 881 63.531 49.724 2.964 1.00 0.00 O +ATOM 3711 H1 WAT 881 63.971 50.466 2.550 1.00 0.00 H +ATOM 3712 H2 WAT 881 63.470 49.966 3.888 1.00 0.00 H +TER +ATOM 3713 O WAT 882 59.007 50.748 13.866 1.00 0.00 O +ATOM 3714 H1 WAT 882 58.978 51.153 12.999 1.00 0.00 H +ATOM 3715 H2 WAT 882 58.843 49.819 13.703 1.00 0.00 H +TER +ATOM 3716 O WAT 883 53.160 46.576 7.575 1.00 0.00 O +ATOM 3717 H1 WAT 883 53.238 46.711 6.630 1.00 0.00 H +ATOM 3718 H2 WAT 883 53.775 45.868 7.767 1.00 0.00 H +TER +ATOM 3719 O WAT 884 54.405 48.276 3.985 1.00 0.00 O +ATOM 3720 H1 WAT 884 53.998 48.417 3.131 1.00 0.00 H +ATOM 3721 H2 WAT 884 55.296 47.992 3.782 1.00 0.00 H +TER +ATOM 3722 O WAT 885 64.223 52.425 10.892 1.00 0.00 O +ATOM 3723 H1 WAT 885 64.738 52.336 11.694 1.00 0.00 H +ATOM 3724 H2 WAT 885 63.380 52.771 11.185 1.00 0.00 H +TER +ATOM 3725 O WAT 886 53.216 47.617 10.114 1.00 0.00 O +ATOM 3726 H1 WAT 886 53.379 47.148 9.296 1.00 0.00 H +ATOM 3727 H2 WAT 886 53.682 47.110 10.779 1.00 0.00 H +TER +ATOM 3728 O WAT 887 57.988 36.748 5.150 1.00 0.00 O +ATOM 3729 H1 WAT 887 57.545 37.529 4.819 1.00 0.00 H +ATOM 3730 H2 WAT 887 58.547 37.071 5.857 1.00 0.00 H +TER +ATOM 3731 O WAT 888 62.275 39.615 10.754 1.00 0.00 O +ATOM 3732 H1 WAT 888 61.813 39.823 11.566 1.00 0.00 H +ATOM 3733 H2 WAT 888 61.873 38.801 10.451 1.00 0.00 H +TER +ATOM 3734 O WAT 889 64.371 42.336 13.983 1.00 0.00 O +ATOM 3735 H1 WAT 889 64.696 41.502 13.643 1.00 0.00 H +ATOM 3736 H2 WAT 889 65.159 42.859 14.131 1.00 0.00 H +TER +ATOM 3737 O WAT 890 60.026 37.293 7.009 1.00 0.00 O +ATOM 3738 H1 WAT 890 60.323 38.199 6.928 1.00 0.00 H +ATOM 3739 H2 WAT 890 60.574 36.805 6.395 1.00 0.00 H +TER +ATOM 3740 O WAT 891 57.780 41.871 2.878 1.00 0.00 O +ATOM 3741 H1 WAT 891 57.554 41.655 3.783 1.00 0.00 H +ATOM 3742 H2 WAT 891 56.999 42.304 2.533 1.00 0.00 H +TER +ATOM 3743 O WAT 892 60.220 42.770 13.544 1.00 0.00 O +ATOM 3744 H1 WAT 892 60.124 41.829 13.394 1.00 0.00 H +ATOM 3745 H2 WAT 892 61.063 42.991 13.149 1.00 0.00 H +TER +ATOM 3746 O WAT 893 63.616 40.514 3.508 1.00 0.00 O +ATOM 3747 H1 WAT 893 64.009 40.831 2.695 1.00 0.00 H +ATOM 3748 H2 WAT 893 63.978 39.635 3.622 1.00 0.00 H +TER +ATOM 3749 O WAT 894 55.351 39.181 11.698 1.00 0.00 O +ATOM 3750 H1 WAT 894 54.957 40.029 11.905 1.00 0.00 H +ATOM 3751 H2 WAT 894 54.662 38.544 11.889 1.00 0.00 H +TER +ATOM 3752 O WAT 895 61.925 39.265 14.767 1.00 0.00 O +ATOM 3753 H1 WAT 895 61.235 39.072 15.402 1.00 0.00 H +ATOM 3754 H2 WAT 895 62.668 39.548 15.300 1.00 0.00 H +TER +ATOM 3755 O WAT 896 52.652 37.104 5.731 1.00 0.00 O +ATOM 3756 H1 WAT 896 52.364 37.674 6.443 1.00 0.00 H +ATOM 3757 H2 WAT 896 53.397 36.625 6.094 1.00 0.00 H +TER +ATOM 3758 O WAT 897 64.201 43.105 7.603 1.00 0.00 O +ATOM 3759 H1 WAT 897 63.470 43.613 7.952 1.00 0.00 H +ATOM 3760 H2 WAT 897 63.804 42.288 7.302 1.00 0.00 H +TER +ATOM 3761 O WAT 898 60.639 39.780 6.008 1.00 0.00 O +ATOM 3762 H1 WAT 898 60.643 39.339 5.158 1.00 0.00 H +ATOM 3763 H2 WAT 898 61.534 40.102 6.115 1.00 0.00 H +TER +ATOM 3764 O WAT 899 56.489 39.663 4.967 1.00 0.00 O +ATOM 3765 H1 WAT 899 56.149 40.140 5.724 1.00 0.00 H +ATOM 3766 H2 WAT 899 55.727 39.209 4.608 1.00 0.00 H +TER +ATOM 3767 O WAT 900 64.664 38.558 7.015 1.00 0.00 O +ATOM 3768 H1 WAT 900 64.681 39.009 7.859 1.00 0.00 H +ATOM 3769 H2 WAT 900 64.416 37.658 7.228 1.00 0.00 H +TER +ATOM 3770 O WAT 901 54.790 46.993 12.274 1.00 0.00 O +ATOM 3771 H1 WAT 901 54.406 46.352 12.872 1.00 0.00 H +ATOM 3772 H2 WAT 901 55.101 47.696 12.843 1.00 0.00 H +TER +ATOM 3773 O WAT 902 60.940 43.840 7.755 1.00 0.00 O +ATOM 3774 H1 WAT 902 61.307 43.366 8.501 1.00 0.00 H +ATOM 3775 H2 WAT 902 60.750 44.714 8.095 1.00 0.00 H +TER +ATOM 3776 O WAT 903 53.804 38.585 3.884 1.00 0.00 O +ATOM 3777 H1 WAT 903 53.519 38.220 4.722 1.00 0.00 H +ATOM 3778 H2 WAT 903 53.742 37.853 3.270 1.00 0.00 H +TER +ATOM 3779 O WAT 904 58.730 42.881 10.073 1.00 0.00 O +ATOM 3780 H1 WAT 904 58.426 43.760 10.298 1.00 0.00 H +ATOM 3781 H2 WAT 904 59.685 42.941 10.109 1.00 0.00 H +TER +ATOM 3782 O WAT 905 63.399 46.155 12.349 1.00 0.00 O +ATOM 3783 H1 WAT 905 63.332 45.234 12.095 1.00 0.00 H +ATOM 3784 H2 WAT 905 62.769 46.252 13.064 1.00 0.00 H +TER +ATOM 3785 O WAT 906 57.302 46.755 4.308 1.00 0.00 O +ATOM 3786 H1 WAT 906 57.820 45.952 4.253 1.00 0.00 H +ATOM 3787 H2 WAT 906 56.850 46.693 5.149 1.00 0.00 H +TER +ATOM 3788 O WAT 907 54.786 43.721 11.220 1.00 0.00 O +ATOM 3789 H1 WAT 907 54.428 44.387 11.807 1.00 0.00 H +ATOM 3790 H2 WAT 907 54.492 42.890 11.591 1.00 0.00 H +TER +ATOM 3791 O WAT 908 57.988 44.180 14.104 1.00 0.00 O +ATOM 3792 H1 WAT 908 57.688 44.325 13.207 1.00 0.00 H +ATOM 3793 H2 WAT 908 58.759 43.620 14.011 1.00 0.00 H +TER +ATOM 3794 O WAT 909 63.330 48.977 12.100 1.00 0.00 O +ATOM 3795 H1 WAT 909 63.345 48.045 11.881 1.00 0.00 H +ATOM 3796 H2 WAT 909 62.623 49.063 12.739 1.00 0.00 H +TER +ATOM 3797 O WAT 910 65.072 47.343 4.945 1.00 0.00 O +ATOM 3798 H1 WAT 910 65.424 46.746 4.285 1.00 0.00 H +ATOM 3799 H2 WAT 910 64.188 47.018 5.116 1.00 0.00 H +TER +ATOM 3800 O WAT 911 61.158 48.103 2.352 1.00 0.00 O +ATOM 3801 H1 WAT 911 61.845 48.650 2.733 1.00 0.00 H +ATOM 3802 H2 WAT 911 60.371 48.647 2.387 1.00 0.00 H +TER +ATOM 3803 O WAT 912 62.764 50.618 9.194 1.00 0.00 O +ATOM 3804 H1 WAT 912 63.408 50.824 9.871 1.00 0.00 H +ATOM 3805 H2 WAT 912 63.127 49.857 8.741 1.00 0.00 H +TER +ATOM 3806 O WAT 913 56.362 35.452 2.437 1.00 0.00 O +ATOM 3807 H1 WAT 913 56.233 35.443 3.385 1.00 0.00 H +ATOM 3808 H2 WAT 913 55.538 35.790 2.086 1.00 0.00 H +TER +ATOM 3809 O WAT 914 64.037 48.622 7.911 1.00 0.00 O +ATOM 3810 H1 WAT 914 64.679 47.921 8.025 1.00 0.00 H +ATOM 3811 H2 WAT 914 64.562 49.401 7.731 1.00 0.00 H +TER +ATOM 3812 O WAT 915 53.361 37.211 11.897 1.00 0.00 O +ATOM 3813 H1 WAT 915 52.647 37.410 12.503 1.00 0.00 H +ATOM 3814 H2 WAT 915 53.781 36.435 12.269 1.00 0.00 H +TER +ATOM 3815 O WAT 916 53.648 51.199 12.884 1.00 0.00 O +ATOM 3816 H1 WAT 916 53.758 50.258 12.744 1.00 0.00 H +ATOM 3817 H2 WAT 916 52.996 51.464 12.235 1.00 0.00 H +TER +ATOM 3818 O WAT 917 61.640 49.470 14.284 1.00 0.00 O +ATOM 3819 H1 WAT 917 61.319 48.751 14.828 1.00 0.00 H +ATOM 3820 H2 WAT 917 60.965 50.146 14.357 1.00 0.00 H +TER +ATOM 3821 O WAT 918 64.855 39.703 9.647 1.00 0.00 O +ATOM 3822 H1 WAT 918 65.223 38.882 9.975 1.00 0.00 H +ATOM 3823 H2 WAT 918 63.995 39.763 10.063 1.00 0.00 H +TER +ATOM 3824 O WAT 919 61.815 42.357 9.871 1.00 0.00 O +ATOM 3825 H1 WAT 919 62.314 42.831 10.536 1.00 0.00 H +ATOM 3826 H2 WAT 919 61.958 41.433 10.078 1.00 0.00 H +TER +ATOM 3827 O WAT 920 64.221 37.662 3.312 1.00 0.00 O +ATOM 3828 H1 WAT 920 64.098 37.681 2.363 1.00 0.00 H +ATOM 3829 H2 WAT 920 65.170 37.710 3.431 1.00 0.00 H +TER +ATOM 3830 O WAT 921 56.788 53.081 5.507 1.00 0.00 O +ATOM 3831 H1 WAT 921 57.525 52.532 5.778 1.00 0.00 H +ATOM 3832 H2 WAT 921 57.173 53.947 5.368 1.00 0.00 H +TER +ATOM 3833 O WAT 922 55.794 52.266 14.696 1.00 0.00 O +ATOM 3834 H1 WAT 922 56.596 52.587 15.109 1.00 0.00 H +ATOM 3835 H2 WAT 922 55.279 51.905 15.418 1.00 0.00 H +TER +ATOM 3836 O WAT 923 64.631 48.374 14.643 1.00 0.00 O +ATOM 3837 H1 WAT 923 64.025 48.397 13.903 1.00 0.00 H +ATOM 3838 H2 WAT 923 64.326 47.642 15.180 1.00 0.00 H +TER +ATOM 3839 O WAT 924 53.514 44.753 13.640 1.00 0.00 O +ATOM 3840 H1 WAT 924 54.018 44.174 14.211 1.00 0.00 H +ATOM 3841 H2 WAT 924 52.775 45.037 14.177 1.00 0.00 H +TER +ATOM 3842 O WAT 925 60.568 46.160 13.173 1.00 0.00 O +ATOM 3843 H1 WAT 925 59.802 46.728 13.089 1.00 0.00 H +ATOM 3844 H2 WAT 925 60.749 45.868 12.280 1.00 0.00 H +TER +ATOM 3845 O WAT 926 55.546 42.896 14.535 1.00 0.00 O +ATOM 3846 H1 WAT 926 55.587 42.597 15.443 1.00 0.00 H +ATOM 3847 H2 WAT 926 56.401 43.297 14.375 1.00 0.00 H +TER +ATOM 3848 O WAT 927 57.487 41.475 12.502 1.00 0.00 O +ATOM 3849 H1 WAT 927 56.957 40.984 11.874 1.00 0.00 H +ATOM 3850 H2 WAT 927 58.156 41.903 11.968 1.00 0.00 H +TER +ATOM 3851 O WAT 928 57.974 38.441 12.582 1.00 0.00 O +ATOM 3852 H1 WAT 928 57.880 37.823 11.857 1.00 0.00 H +ATOM 3853 H2 WAT 928 57.394 39.168 12.355 1.00 0.00 H +TER +ATOM 3854 O WAT 929 60.740 36.999 9.614 1.00 0.00 O +ATOM 3855 H1 WAT 929 60.292 37.021 8.769 1.00 0.00 H +ATOM 3856 H2 WAT 929 60.107 36.601 10.212 1.00 0.00 H +TER +ATOM 3857 O WAT 930 61.146 45.894 10.236 1.00 0.00 O +ATOM 3858 H1 WAT 930 61.565 46.737 10.063 1.00 0.00 H +ATOM 3859 H2 WAT 930 60.227 46.031 10.006 1.00 0.00 H +TER +ATOM 3860 O WAT 931 63.483 43.626 11.620 1.00 0.00 O +ATOM 3861 H1 WAT 931 63.602 43.030 12.359 1.00 0.00 H +ATOM 3862 H2 WAT 931 64.342 43.663 11.200 1.00 0.00 H +TER +ATOM 3863 O WAT 932 58.997 52.199 11.351 1.00 0.00 O +ATOM 3864 H1 WAT 932 58.459 52.924 11.032 1.00 0.00 H +ATOM 3865 H2 WAT 932 59.250 51.722 10.561 1.00 0.00 H +TER +ATOM 3866 O WAT 933 60.250 40.168 12.877 1.00 0.00 O +ATOM 3867 H1 WAT 933 60.839 39.859 13.565 1.00 0.00 H +ATOM 3868 H2 WAT 933 59.432 39.696 13.033 1.00 0.00 H +TER +ATOM 3869 O WAT 934 61.853 53.434 11.610 1.00 0.00 O +ATOM 3870 H1 WAT 934 61.779 54.338 11.917 1.00 0.00 H +ATOM 3871 H2 WAT 934 60.951 53.116 11.582 1.00 0.00 H +TER +ATOM 3872 O WAT 935 53.256 50.762 4.914 1.00 0.00 O +ATOM 3873 H1 WAT 935 53.586 49.894 4.681 1.00 0.00 H +ATOM 3874 H2 WAT 935 53.685 50.968 5.744 1.00 0.00 H +TER +ATOM 3875 O WAT 936 57.852 49.093 2.574 1.00 0.00 O +ATOM 3876 H1 WAT 936 57.552 48.969 3.474 1.00 0.00 H +ATOM 3877 H2 WAT 936 57.746 48.234 2.165 1.00 0.00 H +TER +ATOM 3878 O WAT 937 53.745 51.629 7.652 1.00 0.00 O +ATOM 3879 H1 WAT 937 53.308 51.809 8.484 1.00 0.00 H +ATOM 3880 H2 WAT 937 54.313 52.386 7.510 1.00 0.00 H +TER +ATOM 3881 O WAT 938 53.577 44.141 4.011 1.00 0.00 O +ATOM 3882 H1 WAT 938 52.922 43.872 3.367 1.00 0.00 H +ATOM 3883 H2 WAT 938 54.415 44.031 3.561 1.00 0.00 H +TER +ATOM 3884 O WAT 939 54.615 44.526 8.551 1.00 0.00 O +ATOM 3885 H1 WAT 939 54.982 44.439 9.431 1.00 0.00 H +ATOM 3886 H2 WAT 939 54.046 43.763 8.452 1.00 0.00 H +TER +ATOM 3887 O WAT 940 54.167 41.437 12.457 1.00 0.00 O +ATOM 3888 H1 WAT 940 53.272 41.404 12.796 1.00 0.00 H +ATOM 3889 H2 WAT 940 54.706 41.636 13.222 1.00 0.00 H +TER +ATOM 3890 O WAT 941 54.671 35.712 6.805 1.00 0.00 O +ATOM 3891 H1 WAT 941 55.318 35.162 6.365 1.00 0.00 H +ATOM 3892 H2 WAT 941 55.091 35.966 7.627 1.00 0.00 H +TER +ATOM 3893 O WAT 942 54.424 35.868 9.548 1.00 0.00 O +ATOM 3894 H1 WAT 942 54.075 36.324 10.313 1.00 0.00 H +ATOM 3895 H2 WAT 942 54.093 34.973 9.630 1.00 0.00 H +TER +ATOM 3896 O WAT 943 56.030 49.040 13.713 1.00 0.00 O +ATOM 3897 H1 WAT 943 55.987 48.669 14.594 1.00 0.00 H +ATOM 3898 H2 WAT 943 56.161 49.977 13.853 1.00 0.00 H +TER +ATOM 3899 O WAT 944 59.731 50.595 9.314 1.00 0.00 O +ATOM 3900 H1 WAT 944 59.490 50.863 8.427 1.00 0.00 H +ATOM 3901 H2 WAT 944 60.671 50.766 9.369 1.00 0.00 H +TER +ATOM 3902 O WAT 945 61.936 37.059 13.070 1.00 0.00 O +ATOM 3903 H1 WAT 945 61.875 37.651 13.819 1.00 0.00 H +ATOM 3904 H2 WAT 945 62.876 36.951 12.925 1.00 0.00 H +TER +ATOM 3905 O WAT 946 64.574 36.716 12.709 1.00 0.00 O +ATOM 3906 H1 WAT 946 65.188 37.034 12.047 1.00 0.00 H +ATOM 3907 H2 WAT 946 65.119 36.231 13.328 1.00 0.00 H +TER +ATOM 3908 O WAT 947 55.096 35.395 12.823 1.00 0.00 O +ATOM 3909 H1 WAT 947 55.644 35.214 12.059 1.00 0.00 H +ATOM 3910 H2 WAT 947 55.161 34.605 13.358 1.00 0.00 H +TER +ATOM 3911 O WAT 948 55.869 51.986 10.833 1.00 0.00 O +ATOM 3912 H1 WAT 948 55.275 51.854 11.572 1.00 0.00 H +ATOM 3913 H2 WAT 948 55.861 51.150 10.367 1.00 0.00 H +TER +ATOM 3914 O WAT 949 65.315 35.279 9.036 1.00 0.00 O +ATOM 3915 H1 WAT 949 64.440 35.612 8.833 1.00 0.00 H +ATOM 3916 H2 WAT 949 65.206 34.806 9.861 1.00 0.00 H +TER +ATOM 3917 O WAT 950 55.500 49.352 9.783 1.00 0.00 O +ATOM 3918 H1 WAT 950 54.774 48.732 9.716 1.00 0.00 H +ATOM 3919 H2 WAT 950 55.561 49.746 8.913 1.00 0.00 H +TER +ATOM 3920 O WAT 951 59.105 51.566 6.568 1.00 0.00 O +ATOM 3921 H1 WAT 951 59.621 50.955 6.043 1.00 0.00 H +ATOM 3922 H2 WAT 951 59.754 52.069 7.060 1.00 0.00 H +TER +ATOM 3923 O WAT 952 61.844 52.457 7.395 1.00 0.00 O +ATOM 3924 H1 WAT 952 62.132 52.202 6.519 1.00 0.00 H +ATOM 3925 H2 WAT 952 62.357 51.905 7.986 1.00 0.00 H +TER +ATOM 3926 O WAT 953 63.062 36.196 7.975 1.00 0.00 O +ATOM 3927 H1 WAT 953 62.279 36.671 8.255 1.00 0.00 H +ATOM 3928 H2 WAT 953 62.768 35.291 7.866 1.00 0.00 H +TER +ATOM 3929 O WAT 954 53.783 52.669 2.993 1.00 0.00 O +ATOM 3930 H1 WAT 954 53.615 52.036 3.691 1.00 0.00 H +ATOM 3931 H2 WAT 954 52.917 52.875 2.643 1.00 0.00 H +TER +ATOM 3932 O WAT 955 60.947 38.615 3.487 1.00 0.00 O +ATOM 3933 H1 WAT 955 60.135 38.240 3.146 1.00 0.00 H +ATOM 3934 H2 WAT 955 61.452 37.859 3.789 1.00 0.00 H +TER +ATOM 3935 O WAT 956 61.912 53.379 14.762 1.00 0.00 O +ATOM 3936 H1 WAT 956 62.838 53.143 14.806 1.00 0.00 H +ATOM 3937 H2 WAT 956 61.897 54.206 14.281 1.00 0.00 H +TER +ATOM 3938 O WAT 957 59.098 36.043 14.526 1.00 0.00 O +ATOM 3939 H1 WAT 957 58.816 36.546 13.762 1.00 0.00 H +ATOM 3940 H2 WAT 957 59.480 35.245 14.161 1.00 0.00 H +TER +ATOM 3941 O WAT 958 64.605 24.703 60.565 1.00 0.00 O +ATOM 3942 H1 WAT 958 64.525 23.789 60.294 1.00 0.00 H +ATOM 3943 H2 WAT 958 64.192 25.200 59.859 1.00 0.00 H +TER +ATOM 3944 O WAT 959 62.737 26.481 62.446 1.00 0.00 O +ATOM 3945 H1 WAT 959 61.961 26.001 62.736 1.00 0.00 H +ATOM 3946 H2 WAT 959 63.388 25.802 62.272 1.00 0.00 H +TER +ATOM 3947 O WAT 960 56.754 26.793 63.324 1.00 0.00 O +ATOM 3948 H1 WAT 960 55.922 26.538 63.723 1.00 0.00 H +ATOM 3949 H2 WAT 960 57.362 26.864 64.060 1.00 0.00 H +TER +ATOM 3950 O WAT 961 56.734 30.827 63.520 1.00 0.00 O +ATOM 3951 H1 WAT 961 57.037 29.937 63.341 1.00 0.00 H +ATOM 3952 H2 WAT 961 57.478 31.384 63.292 1.00 0.00 H +TER +ATOM 3953 O WAT 962 55.163 21.753 57.108 1.00 0.00 O +ATOM 3954 H1 WAT 962 54.274 22.095 57.006 1.00 0.00 H +ATOM 3955 H2 WAT 962 55.447 21.553 56.216 1.00 0.00 H +TER +ATOM 3956 O WAT 963 53.126 24.354 62.992 1.00 0.00 O +ATOM 3957 H1 WAT 963 53.698 23.586 62.992 1.00 0.00 H +ATOM 3958 H2 WAT 963 53.126 24.653 62.083 1.00 0.00 H +TER +ATOM 3959 O WAT 964 62.984 33.173 60.847 1.00 0.00 O +ATOM 3960 H1 WAT 964 62.365 33.629 60.276 1.00 0.00 H +ATOM 3961 H2 WAT 964 63.839 33.328 60.445 1.00 0.00 H +TER +ATOM 3962 O WAT 965 62.178 29.157 62.453 1.00 0.00 O +ATOM 3963 H1 WAT 965 62.109 28.216 62.292 1.00 0.00 H +ATOM 3964 H2 WAT 965 62.940 29.247 63.025 1.00 0.00 H +TER +ATOM 3965 O WAT 966 54.369 19.762 64.779 1.00 0.00 O +ATOM 3966 H1 WAT 966 54.189 18.865 65.059 1.00 0.00 H +ATOM 3967 H2 WAT 966 53.967 20.310 65.454 1.00 0.00 H +TER +ATOM 3968 O WAT 967 63.208 21.964 62.680 1.00 0.00 O +ATOM 3969 H1 WAT 967 63.585 21.091 62.567 1.00 0.00 H +ATOM 3970 H2 WAT 967 63.110 22.300 61.789 1.00 0.00 H +TER +ATOM 3971 O WAT 968 57.339 20.337 58.142 1.00 0.00 O +ATOM 3972 H1 WAT 968 57.446 21.237 58.449 1.00 0.00 H +ATOM 3973 H2 WAT 968 56.428 20.288 57.851 1.00 0.00 H +TER +ATOM 3974 O WAT 969 54.987 22.258 63.387 1.00 0.00 O +ATOM 3975 H1 WAT 969 55.668 22.522 64.006 1.00 0.00 H +ATOM 3976 H2 WAT 969 54.672 21.418 63.721 1.00 0.00 H +TER +ATOM 3977 O WAT 970 59.180 23.305 62.474 1.00 0.00 O +ATOM 3978 H1 WAT 970 59.688 23.803 63.115 1.00 0.00 H +ATOM 3979 H2 WAT 970 59.711 22.529 62.298 1.00 0.00 H +TER +ATOM 3980 O WAT 971 63.850 28.057 58.240 1.00 0.00 O +ATOM 3981 H1 WAT 971 63.232 28.522 57.676 1.00 0.00 H +ATOM 3982 H2 WAT 971 64.363 28.750 58.657 1.00 0.00 H +TER +ATOM 3983 O WAT 972 58.714 27.585 64.918 1.00 0.00 O +ATOM 3984 H1 WAT 972 58.381 28.211 65.560 1.00 0.00 H +ATOM 3985 H2 WAT 972 58.890 28.111 64.138 1.00 0.00 H +TER +ATOM 3986 O WAT 973 57.145 19.656 64.748 1.00 0.00 O +ATOM 3987 H1 WAT 973 57.487 20.500 64.453 1.00 0.00 H +ATOM 3988 H2 WAT 973 56.206 19.804 64.864 1.00 0.00 H +TER +ATOM 3989 O WAT 974 53.219 28.743 55.614 1.00 0.00 O +ATOM 3990 H1 WAT 974 52.842 29.231 54.882 1.00 0.00 H +ATOM 3991 H2 WAT 974 53.476 29.415 56.244 1.00 0.00 H +TER +ATOM 3992 O WAT 975 60.828 17.144 61.072 1.00 0.00 O +ATOM 3993 H1 WAT 975 61.135 16.589 60.356 1.00 0.00 H +ATOM 3994 H2 WAT 975 59.898 17.279 60.890 1.00 0.00 H +TER +ATOM 3995 O WAT 976 63.216 25.209 57.808 1.00 0.00 O +ATOM 3996 H1 WAT 976 62.289 25.143 58.037 1.00 0.00 H +ATOM 3997 H2 WAT 976 63.368 26.147 57.694 1.00 0.00 H +TER +ATOM 3998 O WAT 977 63.203 21.481 54.805 1.00 0.00 O +ATOM 3999 H1 WAT 977 62.263 21.642 54.890 1.00 0.00 H +ATOM 4000 H2 WAT 977 63.521 22.199 54.259 1.00 0.00 H +TER +ATOM 4001 O WAT 978 58.821 25.736 60.590 1.00 0.00 O +ATOM 4002 H1 WAT 978 58.417 25.023 60.095 1.00 0.00 H +ATOM 4003 H2 WAT 978 58.908 25.391 61.479 1.00 0.00 H +TER +ATOM 4004 O WAT 979 59.290 29.422 62.754 1.00 0.00 O +ATOM 4005 H1 WAT 979 58.992 28.817 62.075 1.00 0.00 H +ATOM 4006 H2 WAT 979 60.240 29.460 62.643 1.00 0.00 H +TER +ATOM 4007 O WAT 980 57.534 22.510 64.370 1.00 0.00 O +ATOM 4008 H1 WAT 980 58.086 22.619 63.595 1.00 0.00 H +ATOM 4009 H2 WAT 980 58.049 22.884 65.086 1.00 0.00 H +TER +ATOM 4010 O WAT 981 63.531 30.949 59.287 1.00 0.00 O +ATOM 4011 H1 WAT 981 63.971 31.692 58.873 1.00 0.00 H +ATOM 4012 H2 WAT 981 63.470 31.192 60.211 1.00 0.00 H +TER +ATOM 4013 O WAT 982 55.522 24.630 58.091 1.00 0.00 O +ATOM 4014 H1 WAT 982 55.402 25.356 57.479 1.00 0.00 H +ATOM 4015 H2 WAT 982 55.212 23.860 57.614 1.00 0.00 H +TER +ATOM 4016 O WAT 983 53.160 27.802 63.898 1.00 0.00 O +ATOM 4017 H1 WAT 983 53.238 27.936 62.953 1.00 0.00 H +ATOM 4018 H2 WAT 983 53.775 27.093 64.091 1.00 0.00 H +TER +ATOM 4019 O WAT 984 54.405 29.502 60.308 1.00 0.00 O +ATOM 4020 H1 WAT 984 53.998 29.643 59.454 1.00 0.00 H +ATOM 4021 H2 WAT 984 55.296 29.218 60.105 1.00 0.00 H +TER +ATOM 4022 O WAT 985 58.677 33.716 58.421 1.00 0.00 O +ATOM 4023 H1 WAT 985 58.502 32.800 58.207 1.00 0.00 H +ATOM 4024 H2 WAT 985 57.823 34.075 58.660 1.00 0.00 H +TER +ATOM 4025 O WAT 986 57.988 17.974 61.473 1.00 0.00 O +ATOM 4026 H1 WAT 986 57.545 18.755 61.142 1.00 0.00 H +ATOM 4027 H2 WAT 986 58.547 18.297 62.180 1.00 0.00 H +TER +ATOM 4028 O WAT 987 61.104 17.595 56.354 1.00 0.00 O +ATOM 4029 H1 WAT 987 60.480 17.591 57.079 1.00 0.00 H +ATOM 4030 H2 WAT 987 61.017 16.728 55.957 1.00 0.00 H +TER +ATOM 4031 O WAT 988 60.026 18.518 63.332 1.00 0.00 O +ATOM 4032 H1 WAT 988 60.323 19.425 63.251 1.00 0.00 H +ATOM 4033 H2 WAT 988 60.574 18.030 62.718 1.00 0.00 H +TER +ATOM 4034 O WAT 989 57.780 23.097 59.201 1.00 0.00 O +ATOM 4035 H1 WAT 989 57.554 22.881 60.106 1.00 0.00 H +ATOM 4036 H2 WAT 989 56.999 23.530 58.856 1.00 0.00 H +TER +ATOM 4037 O WAT 990 65.009 23.103 57.800 1.00 0.00 O +ATOM 4038 H1 WAT 990 64.410 23.827 57.617 1.00 0.00 H +ATOM 4039 H2 WAT 990 65.557 23.041 57.018 1.00 0.00 H +TER +ATOM 4040 O WAT 991 63.616 21.740 59.831 1.00 0.00 O +ATOM 4041 H1 WAT 991 64.009 22.057 59.018 1.00 0.00 H +ATOM 4042 H2 WAT 991 63.978 20.861 59.945 1.00 0.00 H +TER +ATOM 4043 O WAT 992 52.652 18.330 62.054 1.00 0.00 O +ATOM 4044 H1 WAT 992 52.364 18.900 62.766 1.00 0.00 H +ATOM 4045 H2 WAT 992 53.397 17.850 62.417 1.00 0.00 H +TER +ATOM 4046 O WAT 993 52.839 22.272 53.264 1.00 0.00 O +ATOM 4047 H1 WAT 993 52.757 23.215 53.406 1.00 0.00 H +ATOM 4048 H2 WAT 993 52.488 22.129 52.385 1.00 0.00 H +TER +ATOM 4049 O WAT 994 64.201 24.330 63.926 1.00 0.00 O +ATOM 4050 H1 WAT 994 63.470 24.839 64.275 1.00 0.00 H +ATOM 4051 H2 WAT 994 63.804 23.513 63.625 1.00 0.00 H +TER +ATOM 4052 O WAT 995 60.639 21.006 62.331 1.00 0.00 O +ATOM 4053 H1 WAT 995 60.643 20.565 61.482 1.00 0.00 H +ATOM 4054 H2 WAT 995 61.534 21.327 62.438 1.00 0.00 H +TER +ATOM 4055 O WAT 996 56.489 20.888 61.290 1.00 0.00 O +ATOM 4056 H1 WAT 996 56.149 21.366 62.047 1.00 0.00 H +ATOM 4057 H2 WAT 996 55.727 20.435 60.931 1.00 0.00 H +TER +ATOM 4058 O WAT 997 60.701 22.007 55.322 1.00 0.00 O +ATOM 4059 H1 WAT 997 60.822 21.965 56.270 1.00 0.00 H +ATOM 4060 H2 WAT 997 60.316 22.869 55.166 1.00 0.00 H +TER +ATOM 4061 O WAT 998 64.664 19.784 63.338 1.00 0.00 O +ATOM 4062 H1 WAT 998 64.681 20.234 64.182 1.00 0.00 H +ATOM 4063 H2 WAT 998 64.416 18.884 63.551 1.00 0.00 H +TER +ATOM 4064 O WAT 999 59.713 24.317 54.720 1.00 0.00 O +ATOM 4065 H1 WAT 999 59.145 23.869 54.094 1.00 0.00 H +ATOM 4066 H2 WAT 999 60.422 24.676 54.187 1.00 0.00 H +TER +ATOM 4067 O WAT 1000 60.940 25.066 64.078 1.00 0.00 O +ATOM 4068 H1 WAT 1000 61.307 24.592 64.824 1.00 0.00 H +ATOM 4069 H2 WAT 1000 60.750 25.940 64.418 1.00 0.00 H +TER +ATOM 4070 O WAT 1001 53.804 19.810 60.207 1.00 0.00 O +ATOM 4071 H1 WAT 1001 53.519 19.446 61.045 1.00 0.00 H +ATOM 4072 H2 WAT 1001 53.742 19.078 59.593 1.00 0.00 H +TER +ATOM 4073 O WAT 1002 57.258 28.313 56.993 1.00 0.00 O +ATOM 4074 H1 WAT 1002 56.484 27.773 56.833 1.00 0.00 H +ATOM 4075 H2 WAT 1002 57.988 27.793 56.654 1.00 0.00 H +TER +ATOM 4076 O WAT 1003 63.478 18.703 56.928 1.00 0.00 O +ATOM 4077 H1 WAT 1003 62.664 18.204 56.853 1.00 0.00 H +ATOM 4078 H2 WAT 1003 63.284 19.543 56.512 1.00 0.00 H +TER +ATOM 4079 O WAT 1004 57.302 27.981 60.631 1.00 0.00 O +ATOM 4080 H1 WAT 1004 57.820 27.178 60.576 1.00 0.00 H +ATOM 4081 H2 WAT 1004 56.850 27.919 61.472 1.00 0.00 H +TER +ATOM 4082 O WAT 1005 62.189 29.247 55.903 1.00 0.00 O +ATOM 4083 H1 WAT 1005 62.530 29.992 55.408 1.00 0.00 H +ATOM 4084 H2 WAT 1005 61.360 29.561 56.266 1.00 0.00 H +TER +ATOM 4085 O WAT 1006 65.072 28.569 61.268 1.00 0.00 O +ATOM 4086 H1 WAT 1006 65.424 27.972 60.608 1.00 0.00 H +ATOM 4087 H2 WAT 1006 64.188 28.243 61.439 1.00 0.00 H +TER +ATOM 4088 O WAT 1007 61.158 29.329 58.675 1.00 0.00 O +ATOM 4089 H1 WAT 1007 61.845 29.876 59.056 1.00 0.00 H +ATOM 4090 H2 WAT 1007 60.371 29.873 58.710 1.00 0.00 H +TER +ATOM 4091 O WAT 1008 53.297 24.946 54.167 1.00 0.00 O +ATOM 4092 H1 WAT 1008 54.167 25.229 54.450 1.00 0.00 H +ATOM 4093 H2 WAT 1008 52.806 25.760 54.052 1.00 0.00 H +TER +ATOM 4094 O WAT 1009 60.461 26.333 58.287 1.00 0.00 O +ATOM 4095 H1 WAT 1009 60.917 27.144 58.513 1.00 0.00 H +ATOM 4096 H2 WAT 1009 60.109 26.016 59.119 1.00 0.00 H +TER +ATOM 4097 O WAT 1010 56.362 16.677 58.760 1.00 0.00 O +ATOM 4098 H1 WAT 1010 56.233 16.669 59.708 1.00 0.00 H +ATOM 4099 H2 WAT 1010 55.538 17.015 58.409 1.00 0.00 H +TER +ATOM 4100 O WAT 1011 64.037 29.847 64.234 1.00 0.00 O +ATOM 4101 H1 WAT 1011 64.679 29.147 64.348 1.00 0.00 H +ATOM 4102 H2 WAT 1011 64.562 30.627 64.054 1.00 0.00 H +TER +ATOM 4103 O WAT 1012 53.664 34.159 54.733 1.00 0.00 O +ATOM 4104 H1 WAT 1012 54.024 34.758 54.079 1.00 0.00 H +ATOM 4105 H2 WAT 1012 53.523 34.705 55.506 1.00 0.00 H +TER +ATOM 4106 O WAT 1013 59.681 31.542 55.550 1.00 0.00 O +ATOM 4107 H1 WAT 1013 59.672 32.275 54.935 1.00 0.00 H +ATOM 4108 H2 WAT 1013 58.761 31.295 55.643 1.00 0.00 H +TER +ATOM 4109 O WAT 1014 55.282 26.763 56.295 1.00 0.00 O +ATOM 4110 H1 WAT 1014 54.675 27.503 56.304 1.00 0.00 H +ATOM 4111 H2 WAT 1014 55.757 26.853 55.469 1.00 0.00 H +TER +ATOM 4112 O WAT 1015 62.667 31.605 54.213 1.00 0.00 O +ATOM 4113 H1 WAT 1015 62.768 31.401 53.283 1.00 0.00 H +ATOM 4114 H2 WAT 1015 61.767 31.351 54.417 1.00 0.00 H +TER +ATOM 4115 O WAT 1016 60.190 22.163 58.195 1.00 0.00 O +ATOM 4116 H1 WAT 1016 59.481 22.631 58.636 1.00 0.00 H +ATOM 4117 H2 WAT 1016 60.474 21.505 58.830 1.00 0.00 H +TER +ATOM 4118 O WAT 1017 64.221 18.888 59.635 1.00 0.00 O +ATOM 4119 H1 WAT 1017 64.098 18.906 58.686 1.00 0.00 H +ATOM 4120 H2 WAT 1017 65.170 18.936 59.754 1.00 0.00 H +TER +ATOM 4121 O WAT 1018 61.309 34.123 58.907 1.00 0.00 O +ATOM 4122 H1 WAT 1018 61.563 34.086 57.985 1.00 0.00 H +ATOM 4123 H2 WAT 1018 60.360 33.997 58.900 1.00 0.00 H +TER +ATOM 4124 O WAT 1019 58.393 20.471 55.570 1.00 0.00 O +ATOM 4125 H1 WAT 1019 59.242 20.908 55.504 1.00 0.00 H +ATOM 4126 H2 WAT 1019 58.026 20.783 56.397 1.00 0.00 H +TER +ATOM 4127 O WAT 1020 57.292 26.725 54.044 1.00 0.00 O +ATOM 4128 H1 WAT 1020 58.059 26.613 54.606 1.00 0.00 H +ATOM 4129 H2 WAT 1020 57.370 26.028 53.391 1.00 0.00 H +TER +ATOM 4130 O WAT 1021 55.987 24.157 54.727 1.00 0.00 O +ATOM 4131 H1 WAT 1021 56.067 23.210 54.839 1.00 0.00 H +ATOM 4132 H2 WAT 1021 56.879 24.488 54.833 1.00 0.00 H +TER +ATOM 4133 O WAT 1022 56.788 34.307 61.830 1.00 0.00 O +ATOM 4134 H1 WAT 1022 57.525 33.758 62.101 1.00 0.00 H +ATOM 4135 H2 WAT 1022 57.173 35.172 61.691 1.00 0.00 H +TER +ATOM 4136 O WAT 1023 53.673 30.374 57.705 1.00 0.00 O +ATOM 4137 H1 WAT 1023 52.747 30.616 57.695 1.00 0.00 H +ATOM 4138 H2 WAT 1023 54.139 31.201 57.583 1.00 0.00 H +TER +ATOM 4139 O WAT 1024 59.899 33.480 53.653 1.00 0.00 O +ATOM 4140 H1 WAT 1024 60.692 33.768 53.201 1.00 0.00 H +ATOM 4141 H2 WAT 1024 59.379 33.049 52.974 1.00 0.00 H +TER +ATOM 4142 O WAT 1025 60.416 28.700 53.517 1.00 0.00 O +ATOM 4143 H1 WAT 1025 60.311 28.085 54.243 1.00 0.00 H +ATOM 4144 H2 WAT 1025 60.249 28.177 52.734 1.00 0.00 H +TER +ATOM 4145 O WAT 1026 63.657 27.762 54.121 1.00 0.00 O +ATOM 4146 H1 WAT 1026 63.108 28.209 54.766 1.00 0.00 H +ATOM 4147 H2 WAT 1026 64.279 27.257 54.645 1.00 0.00 H +TER +ATOM 4148 O WAT 1027 59.324 26.721 56.018 1.00 0.00 O +ATOM 4149 H1 WAT 1027 59.746 26.555 56.861 1.00 0.00 H +ATOM 4150 H2 WAT 1027 59.449 25.911 55.523 1.00 0.00 H +TER +ATOM 4151 O WAT 1028 61.837 25.745 53.266 1.00 0.00 O +ATOM 4152 H1 WAT 1028 62.358 25.030 52.900 1.00 0.00 H +ATOM 4153 H2 WAT 1028 62.484 26.383 53.566 1.00 0.00 H +TER +ATOM 4154 O WAT 1029 58.220 22.794 52.964 1.00 0.00 O +ATOM 4155 H1 WAT 1029 58.019 21.931 53.325 1.00 0.00 H +ATOM 4156 H2 WAT 1029 58.049 22.708 52.026 1.00 0.00 H +TER +ATOM 4157 O WAT 1030 57.018 19.894 52.952 1.00 0.00 O +ATOM 4158 H1 WAT 1030 57.321 19.901 52.043 1.00 0.00 H +ATOM 4159 H2 WAT 1030 57.758 19.544 53.448 1.00 0.00 H +TER +ATOM 4160 O WAT 1031 60.237 18.838 53.937 1.00 0.00 O +ATOM 4161 H1 WAT 1031 59.889 18.160 53.357 1.00 0.00 H +ATOM 4162 H2 WAT 1031 60.438 18.377 54.752 1.00 0.00 H +TER +ATOM 4163 O WAT 1032 62.402 33.826 55.556 1.00 0.00 O +ATOM 4164 H1 WAT 1032 63.297 34.164 55.578 1.00 0.00 H +ATOM 4165 H2 WAT 1032 62.434 33.104 54.928 1.00 0.00 H +TER +ATOM 4166 O WAT 1033 56.041 29.199 53.785 1.00 0.00 O +ATOM 4167 H1 WAT 1033 56.479 29.742 54.440 1.00 0.00 H +ATOM 4168 H2 WAT 1033 56.526 28.373 53.794 1.00 0.00 H +TER +ATOM 4169 O WAT 1034 53.256 31.988 61.237 1.00 0.00 O +ATOM 4170 H1 WAT 1034 53.586 31.120 61.004 1.00 0.00 H +ATOM 4171 H2 WAT 1034 53.685 32.193 62.067 1.00 0.00 H +TER +ATOM 4172 O WAT 1035 57.852 30.318 58.897 1.00 0.00 O +ATOM 4173 H1 WAT 1035 57.552 30.195 59.797 1.00 0.00 H +ATOM 4174 H2 WAT 1035 57.746 29.459 58.488 1.00 0.00 H +TER +ATOM 4175 O WAT 1036 53.745 32.855 63.975 1.00 0.00 O +ATOM 4176 H1 WAT 1036 53.308 33.035 64.807 1.00 0.00 H +ATOM 4177 H2 WAT 1036 54.313 33.612 63.833 1.00 0.00 H +TER +ATOM 4178 O WAT 1037 53.577 25.367 60.334 1.00 0.00 O +ATOM 4179 H1 WAT 1037 52.922 25.098 59.690 1.00 0.00 H +ATOM 4180 H2 WAT 1037 54.415 25.257 59.884 1.00 0.00 H +TER +ATOM 4181 O WAT 1038 54.615 25.752 64.874 1.00 0.00 O +ATOM 4182 H1 WAT 1038 54.982 25.665 65.754 1.00 0.00 H +ATOM 4183 H2 WAT 1038 54.046 24.989 64.775 1.00 0.00 H +TER +ATOM 4184 O WAT 1039 52.791 22.577 56.276 1.00 0.00 O +ATOM 4185 H1 WAT 1039 51.888 22.840 56.101 1.00 0.00 H +ATOM 4186 H2 WAT 1039 53.275 22.848 55.496 1.00 0.00 H +TER +ATOM 4187 O WAT 1040 55.334 21.633 54.186 1.00 0.00 O +ATOM 4188 H1 WAT 1040 56.043 21.211 53.700 1.00 0.00 H +ATOM 4189 H2 WAT 1040 54.618 21.701 53.554 1.00 0.00 H +TER +ATOM 4190 O WAT 1041 54.981 17.687 53.226 1.00 0.00 O +ATOM 4191 H1 WAT 1041 55.704 18.228 53.544 1.00 0.00 H +ATOM 4192 H2 WAT 1041 55.254 17.413 52.350 1.00 0.00 H +TER +ATOM 4193 O WAT 1042 54.671 16.938 63.128 1.00 0.00 O +ATOM 4194 H1 WAT 1042 55.318 16.387 62.688 1.00 0.00 H +ATOM 4195 H2 WAT 1042 55.091 17.192 63.950 1.00 0.00 H +TER +ATOM 4196 O WAT 1043 59.731 31.821 65.637 1.00 0.00 O +ATOM 4197 H1 WAT 1043 59.490 32.089 64.750 1.00 0.00 H +ATOM 4198 H2 WAT 1043 60.671 31.992 65.692 1.00 0.00 H +TER +ATOM 4199 O WAT 1044 59.105 32.792 62.891 1.00 0.00 O +ATOM 4200 H1 WAT 1044 59.621 32.180 62.366 1.00 0.00 H +ATOM 4201 H2 WAT 1044 59.754 33.295 63.383 1.00 0.00 H +TER +ATOM 4202 O WAT 1045 61.844 33.683 63.718 1.00 0.00 O +ATOM 4203 H1 WAT 1045 62.132 33.428 62.842 1.00 0.00 H +ATOM 4204 H2 WAT 1045 62.357 33.130 64.309 1.00 0.00 H +TER +ATOM 4205 O WAT 1046 63.062 17.422 64.298 1.00 0.00 O +ATOM 4206 H1 WAT 1046 62.279 17.896 64.578 1.00 0.00 H +ATOM 4207 H2 WAT 1046 62.768 16.517 64.189 1.00 0.00 H +TER +ATOM 4208 O WAT 1047 53.783 33.895 59.316 1.00 0.00 O +ATOM 4209 H1 WAT 1047 53.615 33.262 60.014 1.00 0.00 H +ATOM 4210 H2 WAT 1047 52.917 34.101 58.966 1.00 0.00 H +TER +ATOM 4211 O WAT 1048 54.406 17.726 56.819 1.00 0.00 O +ATOM 4212 H1 WAT 1048 55.164 17.839 56.246 1.00 0.00 H +ATOM 4213 H2 WAT 1048 53.944 18.563 56.774 1.00 0.00 H +TER +ATOM 4214 O WAT 1049 60.947 19.840 59.810 1.00 0.00 O +ATOM 4215 H1 WAT 1049 60.135 19.466 59.469 1.00 0.00 H +ATOM 4216 H2 WAT 1049 61.452 19.085 60.112 1.00 0.00 H +TER +ATOM 4217 O WAT 1050 55.389 32.588 56.761 1.00 0.00 O +ATOM 4218 H1 WAT 1050 54.864 32.969 56.057 1.00 0.00 H +ATOM 4219 H2 WAT 1050 55.314 33.213 57.482 1.00 0.00 H +TER +ATOM 4220 O WAT 1051 56.779 18.253 55.360 1.00 0.00 O +ATOM 4221 H1 WAT 1051 57.308 17.466 55.230 1.00 0.00 H +ATOM 4222 H2 WAT 1051 57.411 18.932 55.593 1.00 0.00 H +TER +ATOM 4223 O WAT 1052 58.972 17.990 58.414 1.00 0.00 O +ATOM 4224 H1 WAT 1052 58.343 17.289 58.581 1.00 0.00 H +ATOM 4225 H2 WAT 1052 58.433 18.751 58.197 1.00 0.00 H +TER +ATOM 4226 O WAT 1053 57.989 34.536 55.636 1.00 0.00 O +ATOM 4227 H1 WAT 1053 58.721 34.252 55.089 1.00 0.00 H +ATOM 4228 H2 WAT 1053 58.248 34.298 56.526 1.00 0.00 H +TER +ATOM 4229 O WAT 1054 57.150 30.653 55.641 1.00 0.00 O +ATOM 4230 H1 WAT 1054 56.521 31.121 56.189 1.00 0.00 H +ATOM 4231 H2 WAT 1054 57.265 29.808 56.075 1.00 0.00 H +TER +ATOM 4232 O WAT 1055 64.605 24.703 41.791 1.00 0.00 O +ATOM 4233 H1 WAT 1055 64.525 23.789 41.520 1.00 0.00 H +ATOM 4234 H2 WAT 1055 64.192 25.200 41.085 1.00 0.00 H +TER +ATOM 4235 O WAT 1056 62.737 26.481 43.672 1.00 0.00 O +ATOM 4236 H1 WAT 1056 61.961 26.001 43.962 1.00 0.00 H +ATOM 4237 H2 WAT 1056 63.388 25.802 43.497 1.00 0.00 H +TER +ATOM 4238 O WAT 1057 56.754 26.793 44.549 1.00 0.00 O +ATOM 4239 H1 WAT 1057 55.922 26.538 44.949 1.00 0.00 H +ATOM 4240 H2 WAT 1057 57.362 26.864 45.285 1.00 0.00 H +TER +ATOM 4241 O WAT 1058 56.734 30.827 44.745 1.00 0.00 O +ATOM 4242 H1 WAT 1058 57.037 29.937 44.566 1.00 0.00 H +ATOM 4243 H2 WAT 1058 57.478 31.384 44.517 1.00 0.00 H +TER +ATOM 4244 O WAT 1059 55.163 21.753 38.334 1.00 0.00 O +ATOM 4245 H1 WAT 1059 54.274 22.095 38.232 1.00 0.00 H +ATOM 4246 H2 WAT 1059 55.447 21.553 37.442 1.00 0.00 H +TER +ATOM 4247 O WAT 1060 53.126 24.354 44.218 1.00 0.00 O +ATOM 4248 H1 WAT 1060 53.698 23.586 44.218 1.00 0.00 H +ATOM 4249 H2 WAT 1060 53.126 24.653 43.308 1.00 0.00 H +TER +ATOM 4250 O WAT 1061 62.984 33.173 42.072 1.00 0.00 O +ATOM 4251 H1 WAT 1061 62.365 33.629 41.502 1.00 0.00 H +ATOM 4252 H2 WAT 1061 63.839 33.328 41.671 1.00 0.00 H +TER +ATOM 4253 O WAT 1062 62.178 29.157 43.679 1.00 0.00 O +ATOM 4254 H1 WAT 1062 62.109 28.216 43.518 1.00 0.00 H +ATOM 4255 H2 WAT 1062 62.940 29.247 44.251 1.00 0.00 H +TER +ATOM 4256 O WAT 1063 54.369 19.762 46.005 1.00 0.00 O +ATOM 4257 H1 WAT 1063 54.189 18.865 46.285 1.00 0.00 H +ATOM 4258 H2 WAT 1063 53.967 20.310 46.679 1.00 0.00 H +TER +ATOM 4259 O WAT 1064 63.208 21.964 43.906 1.00 0.00 O +ATOM 4260 H1 WAT 1064 63.585 21.091 43.793 1.00 0.00 H +ATOM 4261 H2 WAT 1064 63.110 22.300 43.015 1.00 0.00 H +TER +ATOM 4262 O WAT 1065 57.339 20.337 39.367 1.00 0.00 O +ATOM 4263 H1 WAT 1065 57.446 21.237 39.674 1.00 0.00 H +ATOM 4264 H2 WAT 1065 56.428 20.288 39.077 1.00 0.00 H +TER +ATOM 4265 O WAT 1066 54.987 22.258 44.613 1.00 0.00 O +ATOM 4266 H1 WAT 1066 55.668 22.522 45.231 1.00 0.00 H +ATOM 4267 H2 WAT 1066 54.672 21.418 44.947 1.00 0.00 H +TER +ATOM 4268 O WAT 1067 59.180 23.305 43.700 1.00 0.00 O +ATOM 4269 H1 WAT 1067 59.688 23.803 44.341 1.00 0.00 H +ATOM 4270 H2 WAT 1067 59.711 22.529 43.524 1.00 0.00 H +TER +ATOM 4271 O WAT 1068 57.463 17.945 47.966 1.00 0.00 O +ATOM 4272 H1 WAT 1068 57.465 18.462 47.161 1.00 0.00 H +ATOM 4273 H2 WAT 1068 56.634 17.468 47.943 1.00 0.00 H +TER +ATOM 4274 O WAT 1069 63.850 28.057 39.465 1.00 0.00 O +ATOM 4275 H1 WAT 1069 63.232 28.522 38.902 1.00 0.00 H +ATOM 4276 H2 WAT 1069 64.363 28.750 39.882 1.00 0.00 H +TER +ATOM 4277 O WAT 1070 58.714 27.585 46.144 1.00 0.00 O +ATOM 4278 H1 WAT 1070 58.381 28.211 46.786 1.00 0.00 H +ATOM 4279 H2 WAT 1070 58.890 28.111 45.364 1.00 0.00 H +TER +ATOM 4280 O WAT 1071 57.145 19.656 45.973 1.00 0.00 O +ATOM 4281 H1 WAT 1071 57.487 20.500 45.679 1.00 0.00 H +ATOM 4282 H2 WAT 1071 56.206 19.804 46.090 1.00 0.00 H +TER +ATOM 4283 O WAT 1072 57.926 29.553 47.959 1.00 0.00 O +ATOM 4284 H1 WAT 1072 58.543 30.228 47.677 1.00 0.00 H +ATOM 4285 H2 WAT 1072 57.065 29.961 47.867 1.00 0.00 H +TER +ATOM 4286 O WAT 1073 53.219 28.743 36.839 1.00 0.00 O +ATOM 4287 H1 WAT 1073 52.842 29.231 36.108 1.00 0.00 H +ATOM 4288 H2 WAT 1073 53.476 29.415 37.470 1.00 0.00 H +TER +ATOM 4289 O WAT 1074 60.828 17.144 42.298 1.00 0.00 O +ATOM 4290 H1 WAT 1074 61.135 16.589 41.581 1.00 0.00 H +ATOM 4291 H2 WAT 1074 59.898 17.279 42.115 1.00 0.00 H +TER +ATOM 4292 O WAT 1075 63.216 25.209 39.034 1.00 0.00 O +ATOM 4293 H1 WAT 1075 62.289 25.143 39.263 1.00 0.00 H +ATOM 4294 H2 WAT 1075 63.368 26.147 38.919 1.00 0.00 H +TER +ATOM 4295 O WAT 1076 63.203 21.481 36.031 1.00 0.00 O +ATOM 4296 H1 WAT 1076 62.263 21.642 36.116 1.00 0.00 H +ATOM 4297 H2 WAT 1076 63.521 22.199 35.484 1.00 0.00 H +TER +ATOM 4298 O WAT 1077 58.821 25.736 41.816 1.00 0.00 O +ATOM 4299 H1 WAT 1077 58.417 25.023 41.320 1.00 0.00 H +ATOM 4300 H2 WAT 1077 58.908 25.391 42.705 1.00 0.00 H +TER +ATOM 4301 O WAT 1078 59.290 29.422 43.980 1.00 0.00 O +ATOM 4302 H1 WAT 1078 58.992 28.817 43.301 1.00 0.00 H +ATOM 4303 H2 WAT 1078 60.240 29.460 43.869 1.00 0.00 H +TER +ATOM 4304 O WAT 1079 57.534 22.510 45.596 1.00 0.00 O +ATOM 4305 H1 WAT 1079 58.086 22.619 44.821 1.00 0.00 H +ATOM 4306 H2 WAT 1079 58.049 22.884 46.311 1.00 0.00 H +TER +ATOM 4307 O WAT 1080 58.381 29.161 50.631 1.00 0.00 O +ATOM 4308 H1 WAT 1080 57.484 29.385 50.878 1.00 0.00 H +ATOM 4309 H2 WAT 1080 58.407 29.284 49.682 1.00 0.00 H +TER +ATOM 4310 O WAT 1081 57.209 26.032 49.206 1.00 0.00 O +ATOM 4311 H1 WAT 1081 57.069 26.904 49.575 1.00 0.00 H +ATOM 4312 H2 WAT 1081 56.327 25.689 49.061 1.00 0.00 H +TER +ATOM 4313 O WAT 1082 63.531 30.949 40.513 1.00 0.00 O +ATOM 4314 H1 WAT 1082 63.971 31.692 40.098 1.00 0.00 H +ATOM 4315 H2 WAT 1082 63.470 31.192 41.437 1.00 0.00 H +TER +ATOM 4316 O WAT 1083 59.007 31.974 51.415 1.00 0.00 O +ATOM 4317 H1 WAT 1083 58.978 32.378 50.548 1.00 0.00 H +ATOM 4318 H2 WAT 1083 58.843 31.045 51.252 1.00 0.00 H +TER +ATOM 4319 O WAT 1084 55.522 24.630 39.317 1.00 0.00 O +ATOM 4320 H1 WAT 1084 55.402 25.356 38.705 1.00 0.00 H +ATOM 4321 H2 WAT 1084 55.212 23.860 38.839 1.00 0.00 H +TER +ATOM 4322 O WAT 1085 53.160 27.802 45.123 1.00 0.00 O +ATOM 4323 H1 WAT 1085 53.238 27.936 44.179 1.00 0.00 H +ATOM 4324 H2 WAT 1085 53.775 27.093 45.316 1.00 0.00 H +TER +ATOM 4325 O WAT 1086 54.405 29.502 41.534 1.00 0.00 O +ATOM 4326 H1 WAT 1086 53.998 29.643 40.679 1.00 0.00 H +ATOM 4327 H2 WAT 1086 55.296 29.218 41.331 1.00 0.00 H +TER +ATOM 4328 O WAT 1087 64.223 33.651 48.441 1.00 0.00 O +ATOM 4329 H1 WAT 1087 64.738 33.562 49.243 1.00 0.00 H +ATOM 4330 H2 WAT 1087 63.380 33.997 48.733 1.00 0.00 H +TER +ATOM 4331 O WAT 1088 58.677 33.716 39.646 1.00 0.00 O +ATOM 4332 H1 WAT 1088 58.502 32.800 39.433 1.00 0.00 H +ATOM 4333 H2 WAT 1088 57.823 34.075 39.886 1.00 0.00 H +TER +ATOM 4334 O WAT 1089 53.216 28.843 47.663 1.00 0.00 O +ATOM 4335 H1 WAT 1089 53.379 28.374 46.845 1.00 0.00 H +ATOM 4336 H2 WAT 1089 53.682 28.335 48.328 1.00 0.00 H +TER +ATOM 4337 O WAT 1090 57.988 17.974 42.699 1.00 0.00 O +ATOM 4338 H1 WAT 1090 57.545 18.755 42.367 1.00 0.00 H +ATOM 4339 H2 WAT 1090 58.547 18.297 43.406 1.00 0.00 H +TER +ATOM 4340 O WAT 1091 62.275 20.840 48.302 1.00 0.00 O +ATOM 4341 H1 WAT 1091 61.813 21.049 49.114 1.00 0.00 H +ATOM 4342 H2 WAT 1091 61.873 20.026 47.999 1.00 0.00 H +TER +ATOM 4343 O WAT 1092 64.371 23.562 51.532 1.00 0.00 O +ATOM 4344 H1 WAT 1092 64.696 22.728 51.192 1.00 0.00 H +ATOM 4345 H2 WAT 1092 65.159 24.084 51.680 1.00 0.00 H +TER +ATOM 4346 O WAT 1093 61.104 17.595 37.579 1.00 0.00 O +ATOM 4347 H1 WAT 1093 60.480 17.591 38.305 1.00 0.00 H +ATOM 4348 H2 WAT 1093 61.017 16.728 37.183 1.00 0.00 H +TER +ATOM 4349 O WAT 1094 60.026 18.518 44.558 1.00 0.00 O +ATOM 4350 H1 WAT 1094 60.323 19.425 44.477 1.00 0.00 H +ATOM 4351 H2 WAT 1094 60.574 18.030 43.944 1.00 0.00 H +TER +ATOM 4352 O WAT 1095 57.780 23.097 40.427 1.00 0.00 O +ATOM 4353 H1 WAT 1095 57.554 22.881 41.332 1.00 0.00 H +ATOM 4354 H2 WAT 1095 56.999 23.530 40.082 1.00 0.00 H +TER +ATOM 4355 O WAT 1096 65.009 23.103 39.026 1.00 0.00 O +ATOM 4356 H1 WAT 1096 64.410 23.827 38.842 1.00 0.00 H +ATOM 4357 H2 WAT 1096 65.557 23.041 38.244 1.00 0.00 H +TER +ATOM 4358 O WAT 1097 60.220 23.996 51.093 1.00 0.00 O +ATOM 4359 H1 WAT 1097 60.124 23.055 50.943 1.00 0.00 H +ATOM 4360 H2 WAT 1097 61.063 24.217 50.698 1.00 0.00 H +TER +ATOM 4361 O WAT 1098 63.616 21.740 41.056 1.00 0.00 O +ATOM 4362 H1 WAT 1098 64.009 22.057 40.243 1.00 0.00 H +ATOM 4363 H2 WAT 1098 63.978 20.861 41.171 1.00 0.00 H +TER +ATOM 4364 O WAT 1099 55.351 20.407 49.246 1.00 0.00 O +ATOM 4365 H1 WAT 1099 54.957 21.254 49.454 1.00 0.00 H +ATOM 4366 H2 WAT 1099 54.662 19.770 49.437 1.00 0.00 H +TER +ATOM 4367 O WAT 1100 61.925 20.490 52.316 1.00 0.00 O +ATOM 4368 H1 WAT 1100 61.235 20.298 52.951 1.00 0.00 H +ATOM 4369 H2 WAT 1100 62.668 20.774 52.849 1.00 0.00 H +TER +ATOM 4370 O WAT 1101 52.652 18.330 43.279 1.00 0.00 O +ATOM 4371 H1 WAT 1101 52.364 18.900 43.992 1.00 0.00 H +ATOM 4372 H2 WAT 1101 53.397 17.850 43.643 1.00 0.00 H +TER +ATOM 4373 O WAT 1102 52.839 22.272 34.490 1.00 0.00 O +ATOM 4374 H1 WAT 1102 52.757 23.215 34.631 1.00 0.00 H +ATOM 4375 H2 WAT 1102 52.488 22.129 33.611 1.00 0.00 H +TER +ATOM 4376 O WAT 1103 64.201 24.330 45.151 1.00 0.00 O +ATOM 4377 H1 WAT 1103 63.470 24.839 45.500 1.00 0.00 H +ATOM 4378 H2 WAT 1103 63.804 23.513 44.850 1.00 0.00 H +TER +ATOM 4379 O WAT 1104 60.639 21.006 43.557 1.00 0.00 O +ATOM 4380 H1 WAT 1104 60.643 20.565 42.707 1.00 0.00 H +ATOM 4381 H2 WAT 1104 61.534 21.327 43.664 1.00 0.00 H +TER +ATOM 4382 O WAT 1105 56.489 20.888 42.516 1.00 0.00 O +ATOM 4383 H1 WAT 1105 56.149 21.366 43.273 1.00 0.00 H +ATOM 4384 H2 WAT 1105 55.727 20.435 42.156 1.00 0.00 H +TER +ATOM 4385 O WAT 1106 60.701 22.007 36.547 1.00 0.00 O +ATOM 4386 H1 WAT 1106 60.822 21.965 37.496 1.00 0.00 H +ATOM 4387 H2 WAT 1106 60.316 22.869 36.392 1.00 0.00 H +TER +ATOM 4388 O WAT 1107 64.664 19.784 44.564 1.00 0.00 O +ATOM 4389 H1 WAT 1107 64.681 20.234 45.408 1.00 0.00 H +ATOM 4390 H2 WAT 1107 64.416 18.884 44.777 1.00 0.00 H +TER +ATOM 4391 O WAT 1108 59.713 24.317 35.946 1.00 0.00 O +ATOM 4392 H1 WAT 1108 59.145 23.869 35.319 1.00 0.00 H +ATOM 4393 H2 WAT 1108 60.422 24.676 35.412 1.00 0.00 H +TER +ATOM 4394 O WAT 1109 54.790 28.218 49.822 1.00 0.00 O +ATOM 4395 H1 WAT 1109 54.406 27.578 50.421 1.00 0.00 H +ATOM 4396 H2 WAT 1109 55.101 28.922 50.392 1.00 0.00 H +TER +ATOM 4397 O WAT 1110 60.940 25.066 45.303 1.00 0.00 O +ATOM 4398 H1 WAT 1110 61.307 24.592 46.049 1.00 0.00 H +ATOM 4399 H2 WAT 1110 60.750 25.940 45.644 1.00 0.00 H +TER +ATOM 4400 O WAT 1111 53.804 19.810 41.433 1.00 0.00 O +ATOM 4401 H1 WAT 1111 53.519 19.446 42.270 1.00 0.00 H +ATOM 4402 H2 WAT 1111 53.742 19.078 40.819 1.00 0.00 H +TER +ATOM 4403 O WAT 1112 58.730 24.107 47.622 1.00 0.00 O +ATOM 4404 H1 WAT 1112 58.426 24.986 47.847 1.00 0.00 H +ATOM 4405 H2 WAT 1112 59.685 24.167 47.657 1.00 0.00 H +TER +ATOM 4406 O WAT 1113 57.258 28.313 38.218 1.00 0.00 O +ATOM 4407 H1 WAT 1113 56.484 27.773 38.058 1.00 0.00 H +ATOM 4408 H2 WAT 1113 57.988 27.793 37.880 1.00 0.00 H +TER +ATOM 4409 O WAT 1114 63.478 18.703 38.154 1.00 0.00 O +ATOM 4410 H1 WAT 1114 62.664 18.204 38.078 1.00 0.00 H +ATOM 4411 H2 WAT 1114 63.284 19.543 37.738 1.00 0.00 H +TER +ATOM 4412 O WAT 1115 63.399 27.380 49.898 1.00 0.00 O +ATOM 4413 H1 WAT 1115 63.332 26.460 49.644 1.00 0.00 H +ATOM 4414 H2 WAT 1115 62.769 27.478 50.612 1.00 0.00 H +TER +ATOM 4415 O WAT 1116 57.302 27.981 41.856 1.00 0.00 O +ATOM 4416 H1 WAT 1116 57.820 27.178 41.802 1.00 0.00 H +ATOM 4417 H2 WAT 1116 56.850 27.919 42.698 1.00 0.00 H +TER +ATOM 4418 O WAT 1117 62.189 29.247 37.129 1.00 0.00 O +ATOM 4419 H1 WAT 1117 62.530 29.992 36.633 1.00 0.00 H +ATOM 4420 H2 WAT 1117 61.360 29.561 37.491 1.00 0.00 H +TER +ATOM 4421 O WAT 1118 54.786 24.947 48.769 1.00 0.00 O +ATOM 4422 H1 WAT 1118 54.428 25.612 49.356 1.00 0.00 H +ATOM 4423 H2 WAT 1118 54.492 24.115 49.140 1.00 0.00 H +TER +ATOM 4424 O WAT 1119 57.988 25.405 51.653 1.00 0.00 O +ATOM 4425 H1 WAT 1119 57.688 25.551 50.756 1.00 0.00 H +ATOM 4426 H2 WAT 1119 58.759 24.846 51.560 1.00 0.00 H +TER +ATOM 4427 O WAT 1120 63.330 30.202 49.648 1.00 0.00 O +ATOM 4428 H1 WAT 1120 63.345 29.270 49.430 1.00 0.00 H +ATOM 4429 H2 WAT 1120 62.623 30.288 50.287 1.00 0.00 H +TER +ATOM 4430 O WAT 1121 65.072 28.569 42.494 1.00 0.00 O +ATOM 4431 H1 WAT 1121 65.424 27.972 41.834 1.00 0.00 H +ATOM 4432 H2 WAT 1121 64.188 28.243 42.664 1.00 0.00 H +TER +ATOM 4433 O WAT 1122 61.158 29.329 39.901 1.00 0.00 O +ATOM 4434 H1 WAT 1122 61.845 29.876 40.281 1.00 0.00 H +ATOM 4435 H2 WAT 1122 60.371 29.873 39.936 1.00 0.00 H +TER +ATOM 4436 O WAT 1123 53.297 24.946 35.392 1.00 0.00 O +ATOM 4437 H1 WAT 1123 54.167 25.229 35.676 1.00 0.00 H +ATOM 4438 H2 WAT 1123 52.806 25.760 35.277 1.00 0.00 H +TER +ATOM 4439 O WAT 1124 60.461 26.333 39.513 1.00 0.00 O +ATOM 4440 H1 WAT 1124 60.917 27.144 39.739 1.00 0.00 H +ATOM 4441 H2 WAT 1124 60.109 26.016 40.345 1.00 0.00 H +TER +ATOM 4442 O WAT 1125 62.764 31.844 46.742 1.00 0.00 O +ATOM 4443 H1 WAT 1125 63.408 32.050 47.420 1.00 0.00 H +ATOM 4444 H2 WAT 1125 63.127 31.083 46.289 1.00 0.00 H +TER +ATOM 4445 O WAT 1126 56.362 16.677 39.985 1.00 0.00 O +ATOM 4446 H1 WAT 1126 56.233 16.669 40.934 1.00 0.00 H +ATOM 4447 H2 WAT 1126 55.538 17.015 39.634 1.00 0.00 H +TER +ATOM 4448 O WAT 1127 64.037 29.847 45.460 1.00 0.00 O +ATOM 4449 H1 WAT 1127 64.679 29.147 45.573 1.00 0.00 H +ATOM 4450 H2 WAT 1127 64.562 30.627 45.280 1.00 0.00 H +TER +ATOM 4451 O WAT 1128 53.664 34.159 35.958 1.00 0.00 O +ATOM 4452 H1 WAT 1128 54.024 34.758 35.304 1.00 0.00 H +ATOM 4453 H2 WAT 1128 53.523 34.705 36.732 1.00 0.00 H +TER +ATOM 4454 O WAT 1129 53.361 18.436 49.446 1.00 0.00 O +ATOM 4455 H1 WAT 1129 52.647 18.636 50.051 1.00 0.00 H +ATOM 4456 H2 WAT 1129 53.781 17.660 49.818 1.00 0.00 H +TER +ATOM 4457 O WAT 1130 53.648 32.424 50.433 1.00 0.00 O +ATOM 4458 H1 WAT 1130 53.758 31.484 50.292 1.00 0.00 H +ATOM 4459 H2 WAT 1130 52.996 32.690 49.784 1.00 0.00 H +TER +ATOM 4460 O WAT 1131 61.640 30.696 51.832 1.00 0.00 O +ATOM 4461 H1 WAT 1131 61.319 29.977 52.377 1.00 0.00 H +ATOM 4462 H2 WAT 1131 60.965 31.371 51.906 1.00 0.00 H +TER +ATOM 4463 O WAT 1132 59.681 31.542 36.776 1.00 0.00 O +ATOM 4464 H1 WAT 1132 59.672 32.275 36.160 1.00 0.00 H +ATOM 4465 H2 WAT 1132 58.761 31.295 36.869 1.00 0.00 H +TER +ATOM 4466 O WAT 1133 55.282 26.763 37.520 1.00 0.00 O +ATOM 4467 H1 WAT 1133 54.675 27.503 37.530 1.00 0.00 H +ATOM 4468 H2 WAT 1133 55.757 26.853 36.694 1.00 0.00 H +TER +ATOM 4469 O WAT 1134 64.855 20.929 47.196 1.00 0.00 O +ATOM 4470 H1 WAT 1134 65.223 20.108 47.524 1.00 0.00 H +ATOM 4471 H2 WAT 1134 63.995 20.989 47.612 1.00 0.00 H +TER +ATOM 4472 O WAT 1135 62.667 31.605 35.438 1.00 0.00 O +ATOM 4473 H1 WAT 1135 62.768 31.401 34.509 1.00 0.00 H +ATOM 4474 H2 WAT 1135 61.767 31.351 35.643 1.00 0.00 H +TER +ATOM 4475 O WAT 1136 60.190 22.163 39.421 1.00 0.00 O +ATOM 4476 H1 WAT 1136 59.481 22.631 39.862 1.00 0.00 H +ATOM 4477 H2 WAT 1136 60.474 21.505 40.055 1.00 0.00 H +TER +ATOM 4478 O WAT 1137 61.815 23.582 47.420 1.00 0.00 O +ATOM 4479 H1 WAT 1137 62.314 24.057 48.085 1.00 0.00 H +ATOM 4480 H2 WAT 1137 61.958 22.659 47.627 1.00 0.00 H +TER +ATOM 4481 O WAT 1138 64.221 18.888 40.860 1.00 0.00 O +ATOM 4482 H1 WAT 1138 64.098 18.906 39.911 1.00 0.00 H +ATOM 4483 H2 WAT 1138 65.170 18.936 40.980 1.00 0.00 H +TER +ATOM 4484 O WAT 1139 61.309 34.123 40.133 1.00 0.00 O +ATOM 4485 H1 WAT 1139 61.563 34.086 39.211 1.00 0.00 H +ATOM 4486 H2 WAT 1139 60.360 33.997 40.126 1.00 0.00 H +TER +ATOM 4487 O WAT 1140 58.393 20.471 36.796 1.00 0.00 O +ATOM 4488 H1 WAT 1140 59.242 20.908 36.730 1.00 0.00 H +ATOM 4489 H2 WAT 1140 58.026 20.783 37.623 1.00 0.00 H +TER +ATOM 4490 O WAT 1141 57.292 26.725 35.269 1.00 0.00 O +ATOM 4491 H1 WAT 1141 58.059 26.613 35.832 1.00 0.00 H +ATOM 4492 H2 WAT 1141 57.370 26.028 34.617 1.00 0.00 H +TER +ATOM 4493 O WAT 1142 55.987 24.157 35.953 1.00 0.00 O +ATOM 4494 H1 WAT 1142 56.067 23.210 36.064 1.00 0.00 H +ATOM 4495 H2 WAT 1142 56.879 24.488 36.059 1.00 0.00 H +TER +ATOM 4496 O WAT 1143 56.788 34.307 43.056 1.00 0.00 O +ATOM 4497 H1 WAT 1143 57.525 33.758 43.327 1.00 0.00 H +ATOM 4498 H2 WAT 1143 57.173 35.172 42.917 1.00 0.00 H +TER +ATOM 4499 O WAT 1144 53.673 30.374 38.930 1.00 0.00 O +ATOM 4500 H1 WAT 1144 52.747 30.616 38.921 1.00 0.00 H +ATOM 4501 H2 WAT 1144 54.139 31.201 38.809 1.00 0.00 H +TER +ATOM 4502 O WAT 1145 55.794 33.491 52.245 1.00 0.00 O +ATOM 4503 H1 WAT 1145 56.596 33.812 52.658 1.00 0.00 H +ATOM 4504 H2 WAT 1145 55.279 33.131 52.967 1.00 0.00 H +TER +ATOM 4505 O WAT 1146 59.899 33.480 34.879 1.00 0.00 O +ATOM 4506 H1 WAT 1146 60.692 33.768 34.427 1.00 0.00 H +ATOM 4507 H2 WAT 1146 59.379 33.049 34.200 1.00 0.00 H +TER +ATOM 4508 O WAT 1147 64.631 29.599 52.192 1.00 0.00 O +ATOM 4509 H1 WAT 1147 64.025 29.622 51.452 1.00 0.00 H +ATOM 4510 H2 WAT 1147 64.326 28.867 52.729 1.00 0.00 H +TER +ATOM 4511 O WAT 1148 53.514 25.979 51.188 1.00 0.00 O +ATOM 4512 H1 WAT 1148 54.018 25.399 51.760 1.00 0.00 H +ATOM 4513 H2 WAT 1148 52.775 26.263 51.726 1.00 0.00 H +TER +ATOM 4514 O WAT 1149 60.416 28.700 34.743 1.00 0.00 O +ATOM 4515 H1 WAT 1149 60.311 28.085 35.469 1.00 0.00 H +ATOM 4516 H2 WAT 1149 60.249 28.177 33.959 1.00 0.00 H +TER +ATOM 4517 O WAT 1150 60.568 27.386 50.722 1.00 0.00 O +ATOM 4518 H1 WAT 1150 59.802 27.954 50.637 1.00 0.00 H +ATOM 4519 H2 WAT 1150 60.749 27.093 49.829 1.00 0.00 H +TER +ATOM 4520 O WAT 1151 63.657 27.762 35.347 1.00 0.00 O +ATOM 4521 H1 WAT 1151 63.108 28.209 35.991 1.00 0.00 H +ATOM 4522 H2 WAT 1151 64.279 27.257 35.871 1.00 0.00 H +TER +ATOM 4523 O WAT 1152 55.546 24.121 52.083 1.00 0.00 O +ATOM 4524 H1 WAT 1152 55.587 23.823 52.992 1.00 0.00 H +ATOM 4525 H2 WAT 1152 56.401 24.522 51.924 1.00 0.00 H +TER +ATOM 4526 O WAT 1153 59.324 26.721 37.244 1.00 0.00 O +ATOM 4527 H1 WAT 1153 59.746 26.555 38.087 1.00 0.00 H +ATOM 4528 H2 WAT 1153 59.449 25.911 36.749 1.00 0.00 H +TER +ATOM 4529 O WAT 1154 57.487 22.701 50.051 1.00 0.00 O +ATOM 4530 H1 WAT 1154 56.957 22.210 49.423 1.00 0.00 H +ATOM 4531 H2 WAT 1154 58.156 23.129 49.516 1.00 0.00 H +TER +ATOM 4532 O WAT 1155 61.837 25.745 34.491 1.00 0.00 O +ATOM 4533 H1 WAT 1155 62.358 25.030 34.125 1.00 0.00 H +ATOM 4534 H2 WAT 1155 62.484 26.383 34.791 1.00 0.00 H +TER +ATOM 4535 O WAT 1156 57.974 19.667 50.130 1.00 0.00 O +ATOM 4536 H1 WAT 1156 57.880 19.049 49.406 1.00 0.00 H +ATOM 4537 H2 WAT 1156 57.394 20.394 49.903 1.00 0.00 H +TER +ATOM 4538 O WAT 1157 60.740 18.224 47.163 1.00 0.00 O +ATOM 4539 H1 WAT 1157 60.292 18.247 46.318 1.00 0.00 H +ATOM 4540 H2 WAT 1157 60.107 17.826 47.760 1.00 0.00 H +TER +ATOM 4541 O WAT 1158 61.146 27.120 47.784 1.00 0.00 O +ATOM 4542 H1 WAT 1158 61.565 27.963 47.612 1.00 0.00 H +ATOM 4543 H2 WAT 1158 60.227 27.257 47.555 1.00 0.00 H +TER +ATOM 4544 O WAT 1159 63.483 24.851 49.168 1.00 0.00 O +ATOM 4545 H1 WAT 1159 63.602 24.255 49.908 1.00 0.00 H +ATOM 4546 H2 WAT 1159 64.342 24.888 48.748 1.00 0.00 H +TER +ATOM 4547 O WAT 1160 58.220 22.794 34.189 1.00 0.00 O +ATOM 4548 H1 WAT 1160 58.019 21.931 34.551 1.00 0.00 H +ATOM 4549 H2 WAT 1160 58.049 22.708 33.252 1.00 0.00 H +TER +ATOM 4550 O WAT 1161 58.997 33.425 48.900 1.00 0.00 O +ATOM 4551 H1 WAT 1161 58.459 34.150 48.581 1.00 0.00 H +ATOM 4552 H2 WAT 1161 59.250 32.948 48.110 1.00 0.00 H +TER +ATOM 4553 O WAT 1162 60.250 21.393 50.426 1.00 0.00 O +ATOM 4554 H1 WAT 1162 60.839 21.085 51.114 1.00 0.00 H +ATOM 4555 H2 WAT 1162 59.432 20.921 50.582 1.00 0.00 H +TER +ATOM 4556 O WAT 1163 57.018 19.894 34.177 1.00 0.00 O +ATOM 4557 H1 WAT 1163 57.321 19.901 33.269 1.00 0.00 H +ATOM 4558 H2 WAT 1163 57.758 19.544 34.674 1.00 0.00 H +TER +ATOM 4559 O WAT 1164 61.853 34.660 49.159 1.00 0.00 O +ATOM 4560 H1 WAT 1164 61.779 35.564 49.466 1.00 0.00 H +ATOM 4561 H2 WAT 1164 60.951 34.341 49.131 1.00 0.00 H +TER +ATOM 4562 O WAT 1165 60.237 18.838 35.163 1.00 0.00 O +ATOM 4563 H1 WAT 1165 59.889 18.160 34.583 1.00 0.00 H +ATOM 4564 H2 WAT 1165 60.438 18.377 35.977 1.00 0.00 H +TER +ATOM 4565 O WAT 1166 62.402 33.826 36.781 1.00 0.00 O +ATOM 4566 H1 WAT 1166 63.297 34.164 36.803 1.00 0.00 H +ATOM 4567 H2 WAT 1166 62.434 33.104 36.154 1.00 0.00 H +TER +ATOM 4568 O WAT 1167 56.041 29.199 35.010 1.00 0.00 O +ATOM 4569 H1 WAT 1167 56.479 29.742 35.666 1.00 0.00 H +ATOM 4570 H2 WAT 1167 56.526 28.373 35.020 1.00 0.00 H +TER +ATOM 4571 O WAT 1168 53.256 31.988 42.462 1.00 0.00 O +ATOM 4572 H1 WAT 1168 53.586 31.120 42.230 1.00 0.00 H +ATOM 4573 H2 WAT 1168 53.685 32.193 43.293 1.00 0.00 H +TER +ATOM 4574 O WAT 1169 57.852 30.318 40.122 1.00 0.00 O +ATOM 4575 H1 WAT 1169 57.552 30.195 41.023 1.00 0.00 H +ATOM 4576 H2 WAT 1169 57.746 29.459 39.714 1.00 0.00 H +TER +ATOM 4577 O WAT 1170 53.745 32.855 45.200 1.00 0.00 O +ATOM 4578 H1 WAT 1170 53.308 33.035 46.033 1.00 0.00 H +ATOM 4579 H2 WAT 1170 54.313 33.612 45.059 1.00 0.00 H +TER +ATOM 4580 O WAT 1171 53.577 25.367 41.559 1.00 0.00 O +ATOM 4581 H1 WAT 1171 52.922 25.098 40.915 1.00 0.00 H +ATOM 4582 H2 WAT 1171 54.415 25.257 41.109 1.00 0.00 H +TER +ATOM 4583 O WAT 1172 54.615 25.752 46.100 1.00 0.00 O +ATOM 4584 H1 WAT 1172 54.982 25.665 46.979 1.00 0.00 H +ATOM 4585 H2 WAT 1172 54.046 24.989 46.000 1.00 0.00 H +TER +ATOM 4586 O WAT 1173 54.167 22.663 50.005 1.00 0.00 O +ATOM 4587 H1 WAT 1173 53.272 22.630 50.345 1.00 0.00 H +ATOM 4588 H2 WAT 1173 54.706 22.862 50.771 1.00 0.00 H +TER +ATOM 4589 O WAT 1174 52.791 22.577 37.502 1.00 0.00 O +ATOM 4590 H1 WAT 1174 51.888 22.840 37.327 1.00 0.00 H +ATOM 4591 H2 WAT 1174 53.275 22.848 36.722 1.00 0.00 H +TER +ATOM 4592 O WAT 1175 55.334 21.633 35.411 1.00 0.00 O +ATOM 4593 H1 WAT 1175 56.043 21.211 34.926 1.00 0.00 H +ATOM 4594 H2 WAT 1175 54.618 21.701 34.780 1.00 0.00 H +TER +ATOM 4595 O WAT 1176 54.981 17.687 34.452 1.00 0.00 O +ATOM 4596 H1 WAT 1176 55.704 18.228 34.770 1.00 0.00 H +ATOM 4597 H2 WAT 1176 55.254 17.413 33.576 1.00 0.00 H +TER +ATOM 4598 O WAT 1177 54.671 16.938 44.354 1.00 0.00 O +ATOM 4599 H1 WAT 1177 55.318 16.387 43.913 1.00 0.00 H +ATOM 4600 H2 WAT 1177 55.091 17.192 45.175 1.00 0.00 H +TER +ATOM 4601 O WAT 1178 54.424 17.093 47.096 1.00 0.00 O +ATOM 4602 H1 WAT 1178 54.075 17.550 47.862 1.00 0.00 H +ATOM 4603 H2 WAT 1178 54.093 16.199 47.179 1.00 0.00 H +TER +ATOM 4604 O WAT 1179 56.030 30.265 51.262 1.00 0.00 O +ATOM 4605 H1 WAT 1179 55.987 29.894 52.143 1.00 0.00 H +ATOM 4606 H2 WAT 1179 56.161 31.203 51.402 1.00 0.00 H +TER +ATOM 4607 O WAT 1180 59.731 31.821 46.863 1.00 0.00 O +ATOM 4608 H1 WAT 1180 59.490 32.089 45.976 1.00 0.00 H +ATOM 4609 H2 WAT 1180 60.671 31.992 46.918 1.00 0.00 H +TER +ATOM 4610 O WAT 1181 61.936 18.284 50.618 1.00 0.00 O +ATOM 4611 H1 WAT 1181 61.875 18.877 51.368 1.00 0.00 H +ATOM 4612 H2 WAT 1181 62.876 18.177 50.473 1.00 0.00 H +TER +ATOM 4613 O WAT 1182 64.574 17.941 50.257 1.00 0.00 O +ATOM 4614 H1 WAT 1182 65.188 18.259 49.596 1.00 0.00 H +ATOM 4615 H2 WAT 1182 65.119 17.456 50.877 1.00 0.00 H +TER +ATOM 4616 O WAT 1183 55.096 16.621 50.371 1.00 0.00 O +ATOM 4617 H1 WAT 1183 55.644 16.440 49.608 1.00 0.00 H +ATOM 4618 H2 WAT 1183 55.161 15.830 50.907 1.00 0.00 H +TER +ATOM 4619 O WAT 1184 55.869 33.211 48.381 1.00 0.00 O +ATOM 4620 H1 WAT 1184 55.275 33.080 49.120 1.00 0.00 H +ATOM 4621 H2 WAT 1184 55.861 32.375 47.916 1.00 0.00 H +TER +ATOM 4622 O WAT 1185 65.315 16.505 46.584 1.00 0.00 O +ATOM 4623 H1 WAT 1185 64.440 16.838 46.382 1.00 0.00 H +ATOM 4624 H2 WAT 1185 65.206 16.032 47.410 1.00 0.00 H +TER +ATOM 4625 O WAT 1186 55.500 30.577 47.332 1.00 0.00 O +ATOM 4626 H1 WAT 1186 54.774 29.958 47.265 1.00 0.00 H +ATOM 4627 H2 WAT 1186 55.561 30.971 46.462 1.00 0.00 H +TER +ATOM 4628 O WAT 1187 59.105 32.792 44.117 1.00 0.00 O +ATOM 4629 H1 WAT 1187 59.621 32.180 43.592 1.00 0.00 H +ATOM 4630 H2 WAT 1187 59.754 33.295 44.608 1.00 0.00 H +TER +ATOM 4631 O WAT 1188 61.844 33.683 44.944 1.00 0.00 O +ATOM 4632 H1 WAT 1188 62.132 33.428 44.067 1.00 0.00 H +ATOM 4633 H2 WAT 1188 62.357 33.130 45.535 1.00 0.00 H +TER +ATOM 4634 O WAT 1189 63.062 17.422 45.524 1.00 0.00 O +ATOM 4635 H1 WAT 1189 62.279 17.896 45.803 1.00 0.00 H +ATOM 4636 H2 WAT 1189 62.768 16.517 45.415 1.00 0.00 H +TER +ATOM 4637 O WAT 1190 53.783 33.895 40.542 1.00 0.00 O +ATOM 4638 H1 WAT 1190 53.615 33.262 41.240 1.00 0.00 H +ATOM 4639 H2 WAT 1190 52.917 34.101 40.191 1.00 0.00 H +TER +ATOM 4640 O WAT 1191 54.406 17.726 38.045 1.00 0.00 O +ATOM 4641 H1 WAT 1191 55.164 17.839 37.471 1.00 0.00 H +ATOM 4642 H2 WAT 1191 53.944 18.563 37.999 1.00 0.00 H +TER +ATOM 4643 O WAT 1192 60.947 19.840 41.035 1.00 0.00 O +ATOM 4644 H1 WAT 1192 60.135 19.466 40.695 1.00 0.00 H +ATOM 4645 H2 WAT 1192 61.452 19.085 41.337 1.00 0.00 H +TER +ATOM 4646 O WAT 1193 55.389 32.588 37.987 1.00 0.00 O +ATOM 4647 H1 WAT 1193 54.864 32.969 37.283 1.00 0.00 H +ATOM 4648 H2 WAT 1193 55.314 33.213 38.708 1.00 0.00 H +TER +ATOM 4649 O WAT 1194 56.779 18.253 36.585 1.00 0.00 O +ATOM 4650 H1 WAT 1194 57.308 17.466 36.456 1.00 0.00 H +ATOM 4651 H2 WAT 1194 57.411 18.932 36.819 1.00 0.00 H +TER +ATOM 4652 O WAT 1195 58.972 17.990 39.640 1.00 0.00 O +ATOM 4653 H1 WAT 1195 58.343 17.289 39.807 1.00 0.00 H +ATOM 4654 H2 WAT 1195 58.433 18.751 39.423 1.00 0.00 H +TER +ATOM 4655 O WAT 1196 61.912 34.604 52.311 1.00 0.00 O +ATOM 4656 H1 WAT 1196 62.838 34.369 52.354 1.00 0.00 H +ATOM 4657 H2 WAT 1196 61.897 35.431 51.829 1.00 0.00 H +TER +ATOM 4658 O WAT 1197 59.098 17.269 52.075 1.00 0.00 O +ATOM 4659 H1 WAT 1197 58.816 17.772 51.311 1.00 0.00 H +ATOM 4660 H2 WAT 1197 59.480 16.471 51.709 1.00 0.00 H +TER +ATOM 4661 O WAT 1198 57.989 34.536 36.862 1.00 0.00 O +ATOM 4662 H1 WAT 1198 58.721 34.252 36.314 1.00 0.00 H +ATOM 4663 H2 WAT 1198 58.248 34.298 37.752 1.00 0.00 H +TER +ATOM 4664 O WAT 1199 57.150 30.653 36.866 1.00 0.00 O +ATOM 4665 H1 WAT 1199 56.521 31.121 37.415 1.00 0.00 H +ATOM 4666 H2 WAT 1199 57.265 29.808 37.301 1.00 0.00 H +TER +ATOM 4667 O WAT 1200 64.605 24.703 23.017 1.00 0.00 O +ATOM 4668 H1 WAT 1200 64.525 23.789 22.746 1.00 0.00 H +ATOM 4669 H2 WAT 1200 64.192 25.200 22.311 1.00 0.00 H +TER +ATOM 4670 O WAT 1201 62.737 26.481 24.897 1.00 0.00 O +ATOM 4671 H1 WAT 1201 61.961 26.001 25.187 1.00 0.00 H +ATOM 4672 H2 WAT 1201 63.388 25.802 24.723 1.00 0.00 H +TER +ATOM 4673 O WAT 1202 56.754 26.793 25.775 1.00 0.00 O +ATOM 4674 H1 WAT 1202 55.922 26.538 26.175 1.00 0.00 H +ATOM 4675 H2 WAT 1202 57.362 26.864 26.511 1.00 0.00 H +TER +ATOM 4676 O WAT 1203 56.734 30.827 25.971 1.00 0.00 O +ATOM 4677 H1 WAT 1203 57.037 29.937 25.792 1.00 0.00 H +ATOM 4678 H2 WAT 1203 57.478 31.384 25.743 1.00 0.00 H +TER +ATOM 4679 O WAT 1204 55.163 21.753 19.559 1.00 0.00 O +ATOM 4680 H1 WAT 1204 54.274 22.095 19.457 1.00 0.00 H +ATOM 4681 H2 WAT 1204 55.447 21.553 18.667 1.00 0.00 H +TER +ATOM 4682 O WAT 1205 53.126 24.354 25.443 1.00 0.00 O +ATOM 4683 H1 WAT 1205 53.698 23.586 25.444 1.00 0.00 H +ATOM 4684 H2 WAT 1205 53.126 24.653 24.534 1.00 0.00 H +TER +ATOM 4685 O WAT 1206 62.984 33.173 23.298 1.00 0.00 O +ATOM 4686 H1 WAT 1206 62.365 33.629 22.727 1.00 0.00 H +ATOM 4687 H2 WAT 1206 63.839 33.328 22.897 1.00 0.00 H +TER +ATOM 4688 O WAT 1207 62.178 29.157 24.905 1.00 0.00 O +ATOM 4689 H1 WAT 1207 62.109 28.216 24.743 1.00 0.00 H +ATOM 4690 H2 WAT 1207 62.940 29.247 25.477 1.00 0.00 H +TER +ATOM 4691 O WAT 1208 54.369 19.762 27.230 1.00 0.00 O +ATOM 4692 H1 WAT 1208 54.189 18.865 27.510 1.00 0.00 H +ATOM 4693 H2 WAT 1208 53.967 20.310 27.905 1.00 0.00 H +TER +ATOM 4694 O WAT 1209 63.208 21.964 25.131 1.00 0.00 O +ATOM 4695 H1 WAT 1209 63.585 21.091 25.019 1.00 0.00 H +ATOM 4696 H2 WAT 1209 63.110 22.300 24.240 1.00 0.00 H +TER +ATOM 4697 O WAT 1210 57.339 20.337 20.593 1.00 0.00 O +ATOM 4698 H1 WAT 1210 57.446 21.237 20.900 1.00 0.00 H +ATOM 4699 H2 WAT 1210 56.428 20.288 20.303 1.00 0.00 H +TER +ATOM 4700 O WAT 1211 54.987 22.258 25.838 1.00 0.00 O +ATOM 4701 H1 WAT 1211 55.668 22.522 26.457 1.00 0.00 H +ATOM 4702 H2 WAT 1211 54.672 21.418 26.172 1.00 0.00 H +TER +ATOM 4703 O WAT 1212 59.180 23.305 24.926 1.00 0.00 O +ATOM 4704 H1 WAT 1212 59.688 23.803 25.566 1.00 0.00 H +ATOM 4705 H2 WAT 1212 59.711 22.529 24.750 1.00 0.00 H +TER +ATOM 4706 O WAT 1213 57.463 17.945 29.192 1.00 0.00 O +ATOM 4707 H1 WAT 1213 57.465 18.462 28.387 1.00 0.00 H +ATOM 4708 H2 WAT 1213 56.634 17.468 29.169 1.00 0.00 H +TER +ATOM 4709 O WAT 1214 63.850 28.057 20.691 1.00 0.00 O +ATOM 4710 H1 WAT 1214 63.232 28.522 20.127 1.00 0.00 H +ATOM 4711 H2 WAT 1214 64.363 28.750 21.108 1.00 0.00 H +TER +ATOM 4712 O WAT 1215 58.714 27.585 27.369 1.00 0.00 O +ATOM 4713 H1 WAT 1215 58.381 28.211 28.011 1.00 0.00 H +ATOM 4714 H2 WAT 1215 58.890 28.111 26.590 1.00 0.00 H +TER +ATOM 4715 O WAT 1216 57.145 19.656 27.199 1.00 0.00 O +ATOM 4716 H1 WAT 1216 57.487 20.500 26.904 1.00 0.00 H +ATOM 4717 H2 WAT 1216 56.206 19.804 27.316 1.00 0.00 H +TER +ATOM 4718 O WAT 1217 57.926 29.553 29.184 1.00 0.00 O +ATOM 4719 H1 WAT 1217 58.543 30.228 28.903 1.00 0.00 H +ATOM 4720 H2 WAT 1217 57.065 29.961 29.093 1.00 0.00 H +TER +ATOM 4721 O WAT 1218 53.219 28.743 18.065 1.00 0.00 O +ATOM 4722 H1 WAT 1218 52.842 29.231 17.333 1.00 0.00 H +ATOM 4723 H2 WAT 1218 53.476 29.415 18.696 1.00 0.00 H +TER +ATOM 4724 O WAT 1219 60.828 17.144 23.524 1.00 0.00 O +ATOM 4725 H1 WAT 1219 61.135 16.589 22.807 1.00 0.00 H +ATOM 4726 H2 WAT 1219 59.898 17.279 23.341 1.00 0.00 H +TER +ATOM 4727 O WAT 1220 63.216 25.209 20.260 1.00 0.00 O +ATOM 4728 H1 WAT 1220 62.289 25.143 20.488 1.00 0.00 H +ATOM 4729 H2 WAT 1220 63.368 26.147 20.145 1.00 0.00 H +TER +ATOM 4730 O WAT 1221 63.203 21.481 17.256 1.00 0.00 O +ATOM 4731 H1 WAT 1221 62.263 21.642 17.341 1.00 0.00 H +ATOM 4732 H2 WAT 1221 63.521 22.199 16.710 1.00 0.00 H +TER +ATOM 4733 O WAT 1222 58.821 25.736 23.041 1.00 0.00 O +ATOM 4734 H1 WAT 1222 58.417 25.023 22.546 1.00 0.00 H +ATOM 4735 H2 WAT 1222 58.908 25.391 23.930 1.00 0.00 H +TER +ATOM 4736 O WAT 1223 59.290 29.422 25.205 1.00 0.00 O +ATOM 4737 H1 WAT 1223 58.992 28.817 24.526 1.00 0.00 H +ATOM 4738 H2 WAT 1223 60.240 29.460 25.094 1.00 0.00 H +TER +ATOM 4739 O WAT 1224 57.534 22.510 26.821 1.00 0.00 O +ATOM 4740 H1 WAT 1224 58.086 22.619 26.047 1.00 0.00 H +ATOM 4741 H2 WAT 1224 58.049 22.884 27.537 1.00 0.00 H +TER +ATOM 4742 O WAT 1225 58.381 29.161 31.856 1.00 0.00 O +ATOM 4743 H1 WAT 1225 57.484 29.385 32.104 1.00 0.00 H +ATOM 4744 H2 WAT 1225 58.407 29.284 30.907 1.00 0.00 H +TER +ATOM 4745 O WAT 1226 57.209 26.032 30.432 1.00 0.00 O +ATOM 4746 H1 WAT 1226 57.069 26.904 30.801 1.00 0.00 H +ATOM 4747 H2 WAT 1226 56.327 25.689 30.287 1.00 0.00 H +TER +ATOM 4748 O WAT 1227 63.531 30.949 21.738 1.00 0.00 O +ATOM 4749 H1 WAT 1227 63.971 31.692 21.324 1.00 0.00 H +ATOM 4750 H2 WAT 1227 63.470 31.192 22.662 1.00 0.00 H +TER +ATOM 4751 O WAT 1228 59.007 31.974 32.640 1.00 0.00 O +ATOM 4752 H1 WAT 1228 58.978 32.378 31.773 1.00 0.00 H +ATOM 4753 H2 WAT 1228 58.843 31.045 32.478 1.00 0.00 H +TER +ATOM 4754 O WAT 1229 55.522 24.630 20.542 1.00 0.00 O +ATOM 4755 H1 WAT 1229 55.402 25.356 19.930 1.00 0.00 H +ATOM 4756 H2 WAT 1229 55.212 23.860 20.065 1.00 0.00 H +TER +ATOM 4757 O WAT 1230 53.160 27.802 26.349 1.00 0.00 O +ATOM 4758 H1 WAT 1230 53.238 27.936 25.405 1.00 0.00 H +ATOM 4759 H2 WAT 1230 53.775 27.093 26.542 1.00 0.00 H +TER +ATOM 4760 O WAT 1231 54.405 29.502 22.760 1.00 0.00 O +ATOM 4761 H1 WAT 1231 53.998 29.643 21.905 1.00 0.00 H +ATOM 4762 H2 WAT 1231 55.296 29.218 22.557 1.00 0.00 H +TER +ATOM 4763 O WAT 1232 64.223 33.651 29.666 1.00 0.00 O +ATOM 4764 H1 WAT 1232 64.738 33.562 30.469 1.00 0.00 H +ATOM 4765 H2 WAT 1232 63.380 33.997 29.959 1.00 0.00 H +TER +ATOM 4766 O WAT 1233 58.677 33.716 20.872 1.00 0.00 O +ATOM 4767 H1 WAT 1233 58.502 32.800 20.659 1.00 0.00 H +ATOM 4768 H2 WAT 1233 57.823 34.075 21.112 1.00 0.00 H +TER +ATOM 4769 O WAT 1234 53.216 28.843 28.888 1.00 0.00 O +ATOM 4770 H1 WAT 1234 53.379 28.374 28.070 1.00 0.00 H +ATOM 4771 H2 WAT 1234 53.682 28.335 29.553 1.00 0.00 H +TER +ATOM 4772 O WAT 1235 57.988 17.974 23.925 1.00 0.00 O +ATOM 4773 H1 WAT 1235 57.545 18.755 23.593 1.00 0.00 H +ATOM 4774 H2 WAT 1235 58.547 18.297 24.632 1.00 0.00 H +TER +ATOM 4775 O WAT 1236 62.275 20.840 29.528 1.00 0.00 O +ATOM 4776 H1 WAT 1236 61.813 21.049 30.340 1.00 0.00 H +ATOM 4777 H2 WAT 1236 61.873 20.026 29.225 1.00 0.00 H +TER +ATOM 4778 O WAT 1237 64.371 23.562 32.758 1.00 0.00 O +ATOM 4779 H1 WAT 1237 64.696 22.728 32.418 1.00 0.00 H +ATOM 4780 H2 WAT 1237 65.159 24.084 32.905 1.00 0.00 H +TER +ATOM 4781 O WAT 1238 61.104 17.595 18.805 1.00 0.00 O +ATOM 4782 H1 WAT 1238 60.480 17.591 19.530 1.00 0.00 H +ATOM 4783 H2 WAT 1238 61.017 16.728 18.409 1.00 0.00 H +TER +ATOM 4784 O WAT 1239 60.026 18.518 25.783 1.00 0.00 O +ATOM 4785 H1 WAT 1239 60.323 19.425 25.703 1.00 0.00 H +ATOM 4786 H2 WAT 1239 60.574 18.030 25.169 1.00 0.00 H +TER +ATOM 4787 O WAT 1240 57.780 23.097 21.653 1.00 0.00 O +ATOM 4788 H1 WAT 1240 57.554 22.881 22.557 1.00 0.00 H +ATOM 4789 H2 WAT 1240 56.999 23.530 21.307 1.00 0.00 H +TER +ATOM 4790 O WAT 1241 65.009 23.103 20.252 1.00 0.00 O +ATOM 4791 H1 WAT 1241 64.410 23.827 20.068 1.00 0.00 H +ATOM 4792 H2 WAT 1241 65.557 23.041 19.469 1.00 0.00 H +TER +ATOM 4793 O WAT 1242 60.220 23.996 32.319 1.00 0.00 O +ATOM 4794 H1 WAT 1242 60.124 23.055 32.169 1.00 0.00 H +ATOM 4795 H2 WAT 1242 61.063 24.217 31.923 1.00 0.00 H +TER +ATOM 4796 O WAT 1243 63.616 21.740 22.282 1.00 0.00 O +ATOM 4797 H1 WAT 1243 64.009 22.057 21.469 1.00 0.00 H +ATOM 4798 H2 WAT 1243 63.978 20.861 22.396 1.00 0.00 H +TER +ATOM 4799 O WAT 1244 55.351 20.407 30.472 1.00 0.00 O +ATOM 4800 H1 WAT 1244 54.957 21.254 30.679 1.00 0.00 H +ATOM 4801 H2 WAT 1244 54.662 19.770 30.663 1.00 0.00 H +TER +ATOM 4802 O WAT 1245 61.925 20.490 33.542 1.00 0.00 O +ATOM 4803 H1 WAT 1245 61.235 20.298 34.176 1.00 0.00 H +ATOM 4804 H2 WAT 1245 62.668 20.774 34.074 1.00 0.00 H +TER +ATOM 4805 O WAT 1246 52.652 18.330 24.505 1.00 0.00 O +ATOM 4806 H1 WAT 1246 52.364 18.900 25.218 1.00 0.00 H +ATOM 4807 H2 WAT 1246 53.397 17.850 24.868 1.00 0.00 H +TER +ATOM 4808 O WAT 1247 52.839 22.272 15.715 1.00 0.00 O +ATOM 4809 H1 WAT 1247 52.757 23.215 15.857 1.00 0.00 H +ATOM 4810 H2 WAT 1247 52.488 22.129 14.837 1.00 0.00 H +TER +ATOM 4811 O WAT 1248 64.201 24.330 26.377 1.00 0.00 O +ATOM 4812 H1 WAT 1248 63.470 24.839 26.726 1.00 0.00 H +ATOM 4813 H2 WAT 1248 63.804 23.513 26.076 1.00 0.00 H +TER +ATOM 4814 O WAT 1249 60.639 21.006 24.782 1.00 0.00 O +ATOM 4815 H1 WAT 1249 60.643 20.565 23.933 1.00 0.00 H +ATOM 4816 H2 WAT 1249 61.534 21.327 24.890 1.00 0.00 H +TER +ATOM 4817 O WAT 1250 56.489 20.888 23.742 1.00 0.00 O +ATOM 4818 H1 WAT 1250 56.149 21.366 24.498 1.00 0.00 H +ATOM 4819 H2 WAT 1250 55.727 20.435 23.382 1.00 0.00 H +TER +ATOM 4820 O WAT 1251 60.701 22.007 17.773 1.00 0.00 O +ATOM 4821 H1 WAT 1251 60.822 21.965 18.722 1.00 0.00 H +ATOM 4822 H2 WAT 1251 60.316 22.869 17.618 1.00 0.00 H +TER +ATOM 4823 O WAT 1252 64.664 19.784 25.789 1.00 0.00 O +ATOM 4824 H1 WAT 1252 64.681 20.234 26.634 1.00 0.00 H +ATOM 4825 H2 WAT 1252 64.416 18.884 26.003 1.00 0.00 H +TER +ATOM 4826 O WAT 1253 59.713 24.317 17.171 1.00 0.00 O +ATOM 4827 H1 WAT 1253 59.145 23.869 16.545 1.00 0.00 H +ATOM 4828 H2 WAT 1253 60.422 24.676 16.638 1.00 0.00 H +TER +ATOM 4829 O WAT 1254 54.790 28.218 31.048 1.00 0.00 O +ATOM 4830 H1 WAT 1254 54.406 27.578 31.646 1.00 0.00 H +ATOM 4831 H2 WAT 1254 55.101 28.922 31.618 1.00 0.00 H +TER +ATOM 4832 O WAT 1255 60.940 25.066 26.529 1.00 0.00 O +ATOM 4833 H1 WAT 1255 61.307 24.592 27.275 1.00 0.00 H +ATOM 4834 H2 WAT 1255 60.750 25.940 26.870 1.00 0.00 H +TER +ATOM 4835 O WAT 1256 53.804 19.810 22.658 1.00 0.00 O +ATOM 4836 H1 WAT 1256 53.519 19.446 23.496 1.00 0.00 H +ATOM 4837 H2 WAT 1256 53.742 19.078 22.045 1.00 0.00 H +TER +ATOM 4838 O WAT 1257 58.730 24.107 28.847 1.00 0.00 O +ATOM 4839 H1 WAT 1257 58.426 24.986 29.072 1.00 0.00 H +ATOM 4840 H2 WAT 1257 59.685 24.167 28.883 1.00 0.00 H +TER +ATOM 4841 O WAT 1258 57.258 28.313 19.444 1.00 0.00 O +ATOM 4842 H1 WAT 1258 56.484 27.773 19.284 1.00 0.00 H +ATOM 4843 H2 WAT 1258 57.988 27.793 19.106 1.00 0.00 H +TER +ATOM 4844 O WAT 1259 63.478 18.703 19.380 1.00 0.00 O +ATOM 4845 H1 WAT 1259 62.664 18.204 19.304 1.00 0.00 H +ATOM 4846 H2 WAT 1259 63.284 19.543 18.963 1.00 0.00 H +TER +ATOM 4847 O WAT 1260 63.399 27.380 31.124 1.00 0.00 O +ATOM 4848 H1 WAT 1260 63.332 26.460 30.869 1.00 0.00 H +ATOM 4849 H2 WAT 1260 62.769 27.478 31.838 1.00 0.00 H +TER +ATOM 4850 O WAT 1261 57.302 27.981 23.082 1.00 0.00 O +ATOM 4851 H1 WAT 1261 57.820 27.178 23.028 1.00 0.00 H +ATOM 4852 H2 WAT 1261 56.850 27.919 23.924 1.00 0.00 H +TER +ATOM 4853 O WAT 1262 62.189 29.247 18.355 1.00 0.00 O +ATOM 4854 H1 WAT 1262 62.530 29.992 17.859 1.00 0.00 H +ATOM 4855 H2 WAT 1262 61.360 29.561 18.717 1.00 0.00 H +TER +ATOM 4856 O WAT 1263 54.786 24.947 29.994 1.00 0.00 O +ATOM 4857 H1 WAT 1263 54.428 25.612 30.582 1.00 0.00 H +ATOM 4858 H2 WAT 1263 54.492 24.115 30.366 1.00 0.00 H +TER +ATOM 4859 O WAT 1264 57.988 25.405 32.878 1.00 0.00 O +ATOM 4860 H1 WAT 1264 57.688 25.551 31.981 1.00 0.00 H +ATOM 4861 H2 WAT 1264 58.759 24.846 32.786 1.00 0.00 H +TER +ATOM 4862 O WAT 1265 63.330 30.202 30.874 1.00 0.00 O +ATOM 4863 H1 WAT 1265 63.345 29.270 30.656 1.00 0.00 H +ATOM 4864 H2 WAT 1265 62.623 30.288 31.513 1.00 0.00 H +TER +ATOM 4865 O WAT 1266 65.072 28.569 23.719 1.00 0.00 O +ATOM 4866 H1 WAT 1266 65.424 27.972 23.059 1.00 0.00 H +ATOM 4867 H2 WAT 1266 64.188 28.243 23.890 1.00 0.00 H +TER +ATOM 4868 O WAT 1267 61.158 29.329 21.126 1.00 0.00 O +ATOM 4869 H1 WAT 1267 61.845 29.876 21.507 1.00 0.00 H +ATOM 4870 H2 WAT 1267 60.371 29.873 21.161 1.00 0.00 H +TER +ATOM 4871 O WAT 1268 53.297 24.946 16.618 1.00 0.00 O +ATOM 4872 H1 WAT 1268 54.167 25.229 16.902 1.00 0.00 H +ATOM 4873 H2 WAT 1268 52.806 25.760 16.503 1.00 0.00 H +TER +ATOM 4874 O WAT 1269 60.461 26.333 20.739 1.00 0.00 O +ATOM 4875 H1 WAT 1269 60.917 27.144 20.965 1.00 0.00 H +ATOM 4876 H2 WAT 1269 60.109 26.016 21.571 1.00 0.00 H +TER +ATOM 4877 O WAT 1270 62.764 31.844 27.968 1.00 0.00 O +ATOM 4878 H1 WAT 1270 63.408 32.050 28.645 1.00 0.00 H +ATOM 4879 H2 WAT 1270 63.127 31.083 27.515 1.00 0.00 H +TER +ATOM 4880 O WAT 1271 56.362 16.677 21.211 1.00 0.00 O +ATOM 4881 H1 WAT 1271 56.233 16.669 22.160 1.00 0.00 H +ATOM 4882 H2 WAT 1271 55.538 17.015 20.860 1.00 0.00 H +TER +ATOM 4883 O WAT 1272 64.037 29.847 26.686 1.00 0.00 O +ATOM 4884 H1 WAT 1272 64.679 29.147 26.799 1.00 0.00 H +ATOM 4885 H2 WAT 1272 64.562 30.627 26.505 1.00 0.00 H +TER +ATOM 4886 O WAT 1273 53.664 34.159 17.184 1.00 0.00 O +ATOM 4887 H1 WAT 1273 54.024 34.758 16.530 1.00 0.00 H +ATOM 4888 H2 WAT 1273 53.523 34.705 17.958 1.00 0.00 H +TER +ATOM 4889 O WAT 1274 53.361 18.436 30.672 1.00 0.00 O +ATOM 4890 H1 WAT 1274 52.647 18.636 31.277 1.00 0.00 H +ATOM 4891 H2 WAT 1274 53.781 17.660 31.043 1.00 0.00 H +TER +ATOM 4892 O WAT 1275 53.648 32.424 31.658 1.00 0.00 O +ATOM 4893 H1 WAT 1275 53.758 31.484 31.518 1.00 0.00 H +ATOM 4894 H2 WAT 1275 52.996 32.690 31.010 1.00 0.00 H +TER +ATOM 4895 O WAT 1276 61.640 30.696 33.058 1.00 0.00 O +ATOM 4896 H1 WAT 1276 61.319 29.977 33.603 1.00 0.00 H +ATOM 4897 H2 WAT 1276 60.965 31.371 33.132 1.00 0.00 H +TER +ATOM 4898 O WAT 1277 59.681 31.542 18.001 1.00 0.00 O +ATOM 4899 H1 WAT 1277 59.672 32.275 17.386 1.00 0.00 H +ATOM 4900 H2 WAT 1277 58.761 31.295 18.094 1.00 0.00 H +TER +ATOM 4901 O WAT 1278 55.282 26.763 18.746 1.00 0.00 O +ATOM 4902 H1 WAT 1278 54.675 27.503 18.756 1.00 0.00 H +ATOM 4903 H2 WAT 1278 55.757 26.853 17.920 1.00 0.00 H +TER +ATOM 4904 O WAT 1279 64.855 20.929 28.422 1.00 0.00 O +ATOM 4905 H1 WAT 1279 65.223 20.108 28.750 1.00 0.00 H +ATOM 4906 H2 WAT 1279 63.995 20.989 28.837 1.00 0.00 H +TER +ATOM 4907 O WAT 1280 62.667 31.605 16.664 1.00 0.00 O +ATOM 4908 H1 WAT 1280 62.768 31.401 15.734 1.00 0.00 H +ATOM 4909 H2 WAT 1280 61.767 31.351 16.869 1.00 0.00 H +TER +ATOM 4910 O WAT 1281 60.190 22.163 20.646 1.00 0.00 O +ATOM 4911 H1 WAT 1281 59.481 22.631 21.088 1.00 0.00 H +ATOM 4912 H2 WAT 1281 60.474 21.505 21.281 1.00 0.00 H +TER +ATOM 4913 O WAT 1282 61.815 23.582 28.646 1.00 0.00 O +ATOM 4914 H1 WAT 1282 62.314 24.057 29.311 1.00 0.00 H +ATOM 4915 H2 WAT 1282 61.958 22.659 28.853 1.00 0.00 H +TER +ATOM 4916 O WAT 1283 64.221 18.888 22.086 1.00 0.00 O +ATOM 4917 H1 WAT 1283 64.098 18.906 21.137 1.00 0.00 H +ATOM 4918 H2 WAT 1283 65.170 18.936 22.206 1.00 0.00 H +TER +ATOM 4919 O WAT 1284 61.309 34.123 21.359 1.00 0.00 O +ATOM 4920 H1 WAT 1284 61.563 34.086 20.437 1.00 0.00 H +ATOM 4921 H2 WAT 1284 60.360 33.997 21.352 1.00 0.00 H +TER +ATOM 4922 O WAT 1285 58.393 20.471 18.021 1.00 0.00 O +ATOM 4923 H1 WAT 1285 59.242 20.908 17.955 1.00 0.00 H +ATOM 4924 H2 WAT 1285 58.026 20.783 18.849 1.00 0.00 H +TER +ATOM 4925 O WAT 1286 57.292 26.725 16.495 1.00 0.00 O +ATOM 4926 H1 WAT 1286 58.059 26.613 17.058 1.00 0.00 H +ATOM 4927 H2 WAT 1286 57.370 26.028 15.843 1.00 0.00 H +TER +ATOM 4928 O WAT 1287 55.987 24.157 17.178 1.00 0.00 O +ATOM 4929 H1 WAT 1287 56.067 23.210 17.290 1.00 0.00 H +ATOM 4930 H2 WAT 1287 56.879 24.488 17.284 1.00 0.00 H +TER +ATOM 4931 O WAT 1288 56.788 34.307 24.282 1.00 0.00 O +ATOM 4932 H1 WAT 1288 57.525 33.758 24.553 1.00 0.00 H +ATOM 4933 H2 WAT 1288 57.173 35.172 24.142 1.00 0.00 H +TER +ATOM 4934 O WAT 1289 53.673 30.374 20.156 1.00 0.00 O +ATOM 4935 H1 WAT 1289 52.747 30.616 20.146 1.00 0.00 H +ATOM 4936 H2 WAT 1289 54.139 31.201 20.034 1.00 0.00 H +TER +ATOM 4937 O WAT 1290 55.794 33.491 33.470 1.00 0.00 O +ATOM 4938 H1 WAT 1290 56.596 33.812 33.884 1.00 0.00 H +ATOM 4939 H2 WAT 1290 55.279 33.131 34.192 1.00 0.00 H +TER +ATOM 4940 O WAT 1291 59.899 33.480 16.104 1.00 0.00 O +ATOM 4941 H1 WAT 1291 60.692 33.768 15.652 1.00 0.00 H +ATOM 4942 H2 WAT 1291 59.379 33.049 15.426 1.00 0.00 H +TER +ATOM 4943 O WAT 1292 64.631 29.599 33.418 1.00 0.00 O +ATOM 4944 H1 WAT 1292 64.025 29.622 32.677 1.00 0.00 H +ATOM 4945 H2 WAT 1292 64.326 28.867 33.955 1.00 0.00 H +TER +ATOM 4946 O WAT 1293 53.514 25.979 32.414 1.00 0.00 O +ATOM 4947 H1 WAT 1293 54.018 25.399 32.986 1.00 0.00 H +ATOM 4948 H2 WAT 1293 52.775 26.263 32.952 1.00 0.00 H +TER +ATOM 4949 O WAT 1294 60.416 28.700 15.969 1.00 0.00 O +ATOM 4950 H1 WAT 1294 60.311 28.085 16.695 1.00 0.00 H +ATOM 4951 H2 WAT 1294 60.249 28.177 15.185 1.00 0.00 H +TER +ATOM 4952 O WAT 1295 60.568 27.386 31.947 1.00 0.00 O +ATOM 4953 H1 WAT 1295 59.802 27.954 31.863 1.00 0.00 H +ATOM 4954 H2 WAT 1295 60.749 27.093 31.054 1.00 0.00 H +TER +ATOM 4955 O WAT 1296 63.657 27.762 16.573 1.00 0.00 O +ATOM 4956 H1 WAT 1296 63.108 28.209 17.217 1.00 0.00 H +ATOM 4957 H2 WAT 1296 64.279 27.257 17.096 1.00 0.00 H +TER +ATOM 4958 O WAT 1297 55.546 24.121 33.309 1.00 0.00 O +ATOM 4959 H1 WAT 1297 55.587 23.823 34.217 1.00 0.00 H +ATOM 4960 H2 WAT 1297 56.401 24.522 33.150 1.00 0.00 H +TER +ATOM 4961 O WAT 1298 59.324 26.721 18.469 1.00 0.00 O +ATOM 4962 H1 WAT 1298 59.746 26.555 19.312 1.00 0.00 H +ATOM 4963 H2 WAT 1298 59.449 25.911 17.975 1.00 0.00 H +TER +ATOM 4964 O WAT 1299 57.487 22.701 31.276 1.00 0.00 O +ATOM 4965 H1 WAT 1299 56.957 22.210 30.649 1.00 0.00 H +ATOM 4966 H2 WAT 1299 58.156 23.129 30.742 1.00 0.00 H +TER +ATOM 4967 O WAT 1300 61.837 25.745 15.717 1.00 0.00 O +ATOM 4968 H1 WAT 1300 62.358 25.030 15.351 1.00 0.00 H +ATOM 4969 H2 WAT 1300 62.484 26.383 16.017 1.00 0.00 H +TER +ATOM 4970 O WAT 1301 57.974 19.667 31.356 1.00 0.00 O +ATOM 4971 H1 WAT 1301 57.880 19.049 30.631 1.00 0.00 H +ATOM 4972 H2 WAT 1301 57.394 20.394 31.129 1.00 0.00 H +TER +ATOM 4973 O WAT 1302 60.740 18.224 28.389 1.00 0.00 O +ATOM 4974 H1 WAT 1302 60.292 18.247 27.543 1.00 0.00 H +ATOM 4975 H2 WAT 1302 60.107 17.826 28.986 1.00 0.00 H +TER +ATOM 4976 O WAT 1303 61.146 27.120 29.010 1.00 0.00 O +ATOM 4977 H1 WAT 1303 61.565 27.963 28.838 1.00 0.00 H +ATOM 4978 H2 WAT 1303 60.227 27.257 28.781 1.00 0.00 H +TER +ATOM 4979 O WAT 1304 63.483 24.851 30.394 1.00 0.00 O +ATOM 4980 H1 WAT 1304 63.602 24.255 31.133 1.00 0.00 H +ATOM 4981 H2 WAT 1304 64.342 24.888 29.974 1.00 0.00 H +TER +ATOM 4982 O WAT 1305 58.220 22.794 15.415 1.00 0.00 O +ATOM 4983 H1 WAT 1305 58.019 21.931 15.776 1.00 0.00 H +ATOM 4984 H2 WAT 1305 58.049 22.708 14.477 1.00 0.00 H +TER +ATOM 4985 O WAT 1306 58.997 33.425 30.126 1.00 0.00 O +ATOM 4986 H1 WAT 1306 58.459 34.150 29.807 1.00 0.00 H +ATOM 4987 H2 WAT 1306 59.250 32.948 29.336 1.00 0.00 H +TER +ATOM 4988 O WAT 1307 60.250 21.393 31.651 1.00 0.00 O +ATOM 4989 H1 WAT 1307 60.839 21.085 32.339 1.00 0.00 H +ATOM 4990 H2 WAT 1307 59.432 20.921 31.807 1.00 0.00 H +TER +ATOM 4991 O WAT 1308 57.018 19.894 15.403 1.00 0.00 O +ATOM 4992 H1 WAT 1308 57.321 19.901 14.495 1.00 0.00 H +ATOM 4993 H2 WAT 1308 57.758 19.544 15.900 1.00 0.00 H +TER +ATOM 4994 O WAT 1309 61.853 34.660 30.385 1.00 0.00 O +ATOM 4995 H1 WAT 1309 61.779 35.564 30.692 1.00 0.00 H +ATOM 4996 H2 WAT 1309 60.951 34.341 30.357 1.00 0.00 H +TER +ATOM 4997 O WAT 1310 60.237 18.838 16.388 1.00 0.00 O +ATOM 4998 H1 WAT 1310 59.889 18.160 15.809 1.00 0.00 H +ATOM 4999 H2 WAT 1310 60.438 18.377 17.203 1.00 0.00 H +TER +ATOM 5000 O WAT 1311 62.402 33.826 18.007 1.00 0.00 O +ATOM 5001 H1 WAT 1311 63.297 34.164 18.029 1.00 0.00 H +ATOM 5002 H2 WAT 1311 62.434 33.104 17.380 1.00 0.00 H +TER +ATOM 5003 O WAT 1312 56.041 29.199 16.236 1.00 0.00 O +ATOM 5004 H1 WAT 1312 56.479 29.742 16.892 1.00 0.00 H +ATOM 5005 H2 WAT 1312 56.526 28.373 16.245 1.00 0.00 H +TER +ATOM 5006 O WAT 1313 53.256 31.988 23.688 1.00 0.00 O +ATOM 5007 H1 WAT 1313 53.586 31.120 23.456 1.00 0.00 H +ATOM 5008 H2 WAT 1313 53.685 32.193 24.518 1.00 0.00 H +TER +ATOM 5009 O WAT 1314 57.852 30.318 21.348 1.00 0.00 O +ATOM 5010 H1 WAT 1314 57.552 30.195 22.248 1.00 0.00 H +ATOM 5011 H2 WAT 1314 57.746 29.459 20.940 1.00 0.00 H +TER +ATOM 5012 O WAT 1315 53.745 32.855 26.426 1.00 0.00 O +ATOM 5013 H1 WAT 1315 53.308 33.035 27.258 1.00 0.00 H +ATOM 5014 H2 WAT 1315 54.313 33.612 26.284 1.00 0.00 H +TER +ATOM 5015 O WAT 1316 53.577 25.367 22.785 1.00 0.00 O +ATOM 5016 H1 WAT 1316 52.922 25.098 22.141 1.00 0.00 H +ATOM 5017 H2 WAT 1316 54.415 25.257 22.335 1.00 0.00 H +TER +ATOM 5018 O WAT 1317 54.615 25.752 27.325 1.00 0.00 O +ATOM 5019 H1 WAT 1317 54.982 25.665 28.205 1.00 0.00 H +ATOM 5020 H2 WAT 1317 54.046 24.989 27.226 1.00 0.00 H +TER +ATOM 5021 O WAT 1318 54.167 22.663 31.231 1.00 0.00 O +ATOM 5022 H1 WAT 1318 53.272 22.630 31.570 1.00 0.00 H +ATOM 5023 H2 WAT 1318 54.706 22.862 31.996 1.00 0.00 H +TER +ATOM 5024 O WAT 1319 52.791 22.577 18.727 1.00 0.00 O +ATOM 5025 H1 WAT 1319 51.888 22.840 18.553 1.00 0.00 H +ATOM 5026 H2 WAT 1319 53.275 22.848 17.947 1.00 0.00 H +TER +ATOM 5027 O WAT 1320 55.334 21.633 16.637 1.00 0.00 O +ATOM 5028 H1 WAT 1320 56.043 21.211 16.152 1.00 0.00 H +ATOM 5029 H2 WAT 1320 54.618 21.701 16.005 1.00 0.00 H +TER +ATOM 5030 O WAT 1321 54.981 17.687 15.677 1.00 0.00 O +ATOM 5031 H1 WAT 1321 55.704 18.228 15.995 1.00 0.00 H +ATOM 5032 H2 WAT 1321 55.254 17.413 14.801 1.00 0.00 H +TER +ATOM 5033 O WAT 1322 54.671 16.938 25.579 1.00 0.00 O +ATOM 5034 H1 WAT 1322 55.318 16.387 25.139 1.00 0.00 H +ATOM 5035 H2 WAT 1322 55.091 17.192 26.401 1.00 0.00 H +TER +ATOM 5036 O WAT 1323 54.424 17.093 28.322 1.00 0.00 O +ATOM 5037 H1 WAT 1323 54.075 17.550 29.088 1.00 0.00 H +ATOM 5038 H2 WAT 1323 54.093 16.199 28.404 1.00 0.00 H +TER +ATOM 5039 O WAT 1324 56.030 30.265 32.487 1.00 0.00 O +ATOM 5040 H1 WAT 1324 55.987 29.894 33.369 1.00 0.00 H +ATOM 5041 H2 WAT 1324 56.161 31.203 32.627 1.00 0.00 H +TER +ATOM 5042 O WAT 1325 59.731 31.821 28.088 1.00 0.00 O +ATOM 5043 H1 WAT 1325 59.490 32.089 27.201 1.00 0.00 H +ATOM 5044 H2 WAT 1325 60.671 31.992 28.143 1.00 0.00 H +TER +ATOM 5045 O WAT 1326 61.936 18.284 31.844 1.00 0.00 O +ATOM 5046 H1 WAT 1326 61.875 18.877 32.593 1.00 0.00 H +ATOM 5047 H2 WAT 1326 62.876 18.177 31.699 1.00 0.00 H +TER +ATOM 5048 O WAT 1327 64.574 17.941 31.483 1.00 0.00 O +ATOM 5049 H1 WAT 1327 65.188 18.259 30.821 1.00 0.00 H +ATOM 5050 H2 WAT 1327 65.119 17.456 32.103 1.00 0.00 H +TER +ATOM 5051 O WAT 1328 55.096 16.621 31.597 1.00 0.00 O +ATOM 5052 H1 WAT 1328 55.644 16.440 30.834 1.00 0.00 H +ATOM 5053 H2 WAT 1328 55.161 15.830 32.133 1.00 0.00 H +TER +ATOM 5054 O WAT 1329 55.869 33.211 29.607 1.00 0.00 O +ATOM 5055 H1 WAT 1329 55.275 33.080 30.346 1.00 0.00 H +ATOM 5056 H2 WAT 1329 55.861 32.375 29.141 1.00 0.00 H +TER +ATOM 5057 O WAT 1330 65.315 16.505 27.810 1.00 0.00 O +ATOM 5058 H1 WAT 1330 64.440 16.838 27.607 1.00 0.00 H +ATOM 5059 H2 WAT 1330 65.206 16.032 28.635 1.00 0.00 H +TER +ATOM 5060 O WAT 1331 55.500 30.577 28.558 1.00 0.00 O +ATOM 5061 H1 WAT 1331 54.774 29.958 28.490 1.00 0.00 H +ATOM 5062 H2 WAT 1331 55.561 30.971 27.688 1.00 0.00 H +TER +ATOM 5063 O WAT 1332 59.105 32.792 25.343 1.00 0.00 O +ATOM 5064 H1 WAT 1332 59.621 32.180 24.818 1.00 0.00 H +ATOM 5065 H2 WAT 1332 59.754 33.295 25.834 1.00 0.00 H +TER +ATOM 5066 O WAT 1333 61.844 33.683 26.170 1.00 0.00 O +ATOM 5067 H1 WAT 1333 62.132 33.428 25.293 1.00 0.00 H +ATOM 5068 H2 WAT 1333 62.357 33.130 26.760 1.00 0.00 H +TER +ATOM 5069 O WAT 1334 63.062 17.422 26.749 1.00 0.00 O +ATOM 5070 H1 WAT 1334 62.279 17.896 27.029 1.00 0.00 H +ATOM 5071 H2 WAT 1334 62.768 16.517 26.641 1.00 0.00 H +TER +ATOM 5072 O WAT 1335 53.783 33.895 21.768 1.00 0.00 O +ATOM 5073 H1 WAT 1335 53.615 33.262 22.466 1.00 0.00 H +ATOM 5074 H2 WAT 1335 52.917 34.101 21.417 1.00 0.00 H +TER +ATOM 5075 O WAT 1336 54.406 17.726 19.271 1.00 0.00 O +ATOM 5076 H1 WAT 1336 55.164 17.839 18.697 1.00 0.00 H +ATOM 5077 H2 WAT 1336 53.944 18.563 19.225 1.00 0.00 H +TER +ATOM 5078 O WAT 1337 60.947 19.840 22.261 1.00 0.00 O +ATOM 5079 H1 WAT 1337 60.135 19.466 21.921 1.00 0.00 H +ATOM 5080 H2 WAT 1337 61.452 19.085 22.563 1.00 0.00 H +TER +ATOM 5081 O WAT 1338 55.389 32.588 19.213 1.00 0.00 O +ATOM 5082 H1 WAT 1338 54.864 32.969 18.509 1.00 0.00 H +ATOM 5083 H2 WAT 1338 55.314 33.213 19.934 1.00 0.00 H +TER +ATOM 5084 O WAT 1339 56.779 18.253 17.811 1.00 0.00 O +ATOM 5085 H1 WAT 1339 57.308 17.466 17.682 1.00 0.00 H +ATOM 5086 H2 WAT 1339 57.411 18.932 18.044 1.00 0.00 H +TER +ATOM 5087 O WAT 1340 58.972 17.990 20.865 1.00 0.00 O +ATOM 5088 H1 WAT 1340 58.343 17.289 21.032 1.00 0.00 H +ATOM 5089 H2 WAT 1340 58.433 18.751 20.649 1.00 0.00 H +TER +ATOM 5090 O WAT 1341 61.912 34.604 33.537 1.00 0.00 O +ATOM 5091 H1 WAT 1341 62.838 34.369 33.580 1.00 0.00 H +ATOM 5092 H2 WAT 1341 61.897 35.431 33.055 1.00 0.00 H +TER +ATOM 5093 O WAT 1342 59.098 17.269 33.301 1.00 0.00 O +ATOM 5094 H1 WAT 1342 58.816 17.772 32.537 1.00 0.00 H +ATOM 5095 H2 WAT 1342 59.480 16.471 32.935 1.00 0.00 H +TER +ATOM 5096 O WAT 1343 57.989 34.536 18.087 1.00 0.00 O +ATOM 5097 H1 WAT 1343 58.721 34.252 17.540 1.00 0.00 H +ATOM 5098 H2 WAT 1343 58.248 34.298 18.977 1.00 0.00 H +TER +ATOM 5099 O WAT 1344 57.150 30.653 18.092 1.00 0.00 O +ATOM 5100 H1 WAT 1344 56.521 31.121 18.641 1.00 0.00 H +ATOM 5101 H2 WAT 1344 57.265 29.808 18.527 1.00 0.00 H +TER +ATOM 5102 O WAT 1345 64.605 24.703 4.242 1.00 0.00 O +ATOM 5103 H1 WAT 1345 64.525 23.789 3.971 1.00 0.00 H +ATOM 5104 H2 WAT 1345 64.192 25.200 3.536 1.00 0.00 H +TER +ATOM 5105 O WAT 1346 62.737 26.481 6.123 1.00 0.00 O +ATOM 5106 H1 WAT 1346 61.961 26.001 6.413 1.00 0.00 H +ATOM 5107 H2 WAT 1346 63.388 25.802 5.949 1.00 0.00 H +TER +ATOM 5108 O WAT 1347 56.754 26.793 7.001 1.00 0.00 O +ATOM 5109 H1 WAT 1347 55.922 26.538 7.400 1.00 0.00 H +ATOM 5110 H2 WAT 1347 57.362 26.864 7.737 1.00 0.00 H +TER +ATOM 5111 O WAT 1348 56.734 30.827 7.197 1.00 0.00 O +ATOM 5112 H1 WAT 1348 57.037 29.937 7.018 1.00 0.00 H +ATOM 5113 H2 WAT 1348 57.478 31.384 6.969 1.00 0.00 H +TER +ATOM 5114 O WAT 1349 53.126 24.354 6.669 1.00 0.00 O +ATOM 5115 H1 WAT 1349 53.698 23.586 6.669 1.00 0.00 H +ATOM 5116 H2 WAT 1349 53.126 24.653 5.760 1.00 0.00 H +TER +ATOM 5117 O WAT 1350 62.984 33.173 4.523 1.00 0.00 O +ATOM 5118 H1 WAT 1350 62.365 33.629 3.953 1.00 0.00 H +ATOM 5119 H2 WAT 1350 63.839 33.328 4.122 1.00 0.00 H +TER +ATOM 5120 O WAT 1351 62.178 29.157 6.130 1.00 0.00 O +ATOM 5121 H1 WAT 1351 62.109 28.216 5.969 1.00 0.00 H +ATOM 5122 H2 WAT 1351 62.940 29.247 6.702 1.00 0.00 H +TER +ATOM 5123 O WAT 1352 54.369 19.762 8.456 1.00 0.00 O +ATOM 5124 H1 WAT 1352 54.189 18.865 8.736 1.00 0.00 H +ATOM 5125 H2 WAT 1352 53.967 20.310 9.131 1.00 0.00 H +TER +ATOM 5126 O WAT 1353 63.208 21.964 6.357 1.00 0.00 O +ATOM 5127 H1 WAT 1353 63.585 21.091 6.244 1.00 0.00 H +ATOM 5128 H2 WAT 1353 63.110 22.300 5.466 1.00 0.00 H +TER +ATOM 5129 O WAT 1354 54.987 22.258 7.064 1.00 0.00 O +ATOM 5130 H1 WAT 1354 55.668 22.522 7.683 1.00 0.00 H +ATOM 5131 H2 WAT 1354 54.672 21.418 7.398 1.00 0.00 H +TER +ATOM 5132 O WAT 1355 59.180 23.305 6.151 1.00 0.00 O +ATOM 5133 H1 WAT 1355 59.688 23.803 6.792 1.00 0.00 H +ATOM 5134 H2 WAT 1355 59.711 22.529 5.975 1.00 0.00 H +TER +ATOM 5135 O WAT 1356 57.463 17.945 10.418 1.00 0.00 O +ATOM 5136 H1 WAT 1356 57.465 18.462 9.612 1.00 0.00 H +ATOM 5137 H2 WAT 1356 56.634 17.468 10.395 1.00 0.00 H +TER +ATOM 5138 O WAT 1357 58.714 27.585 8.595 1.00 0.00 O +ATOM 5139 H1 WAT 1357 58.381 28.211 9.237 1.00 0.00 H +ATOM 5140 H2 WAT 1357 58.890 28.111 7.815 1.00 0.00 H +TER +ATOM 5141 O WAT 1358 57.145 19.656 8.425 1.00 0.00 O +ATOM 5142 H1 WAT 1358 57.487 20.500 8.130 1.00 0.00 H +ATOM 5143 H2 WAT 1358 56.206 19.804 8.541 1.00 0.00 H +TER +ATOM 5144 O WAT 1359 57.926 29.553 10.410 1.00 0.00 O +ATOM 5145 H1 WAT 1359 58.543 30.228 10.128 1.00 0.00 H +ATOM 5146 H2 WAT 1359 57.065 29.961 10.319 1.00 0.00 H +TER +ATOM 5147 O WAT 1360 60.828 17.144 4.749 1.00 0.00 O +ATOM 5148 H1 WAT 1360 61.135 16.589 4.033 1.00 0.00 H +ATOM 5149 H2 WAT 1360 59.898 17.279 4.566 1.00 0.00 H +TER +ATOM 5150 O WAT 1361 58.821 25.736 4.267 1.00 0.00 O +ATOM 5151 H1 WAT 1361 58.417 25.023 3.772 1.00 0.00 H +ATOM 5152 H2 WAT 1361 58.908 25.391 5.156 1.00 0.00 H +TER +ATOM 5153 O WAT 1362 59.290 29.422 6.431 1.00 0.00 O +ATOM 5154 H1 WAT 1362 58.992 28.817 5.752 1.00 0.00 H +ATOM 5155 H2 WAT 1362 60.240 29.460 6.320 1.00 0.00 H +TER +ATOM 5156 O WAT 1363 57.534 22.510 8.047 1.00 0.00 O +ATOM 5157 H1 WAT 1363 58.086 22.619 7.272 1.00 0.00 H +ATOM 5158 H2 WAT 1363 58.049 22.884 8.763 1.00 0.00 H +TER +ATOM 5159 O WAT 1364 58.381 29.161 13.082 1.00 0.00 O +ATOM 5160 H1 WAT 1364 57.484 29.385 13.329 1.00 0.00 H +ATOM 5161 H2 WAT 1364 58.407 29.284 12.133 1.00 0.00 H +TER +ATOM 5162 O WAT 1365 57.209 26.032 11.658 1.00 0.00 O +ATOM 5163 H1 WAT 1365 57.069 26.904 12.026 1.00 0.00 H +ATOM 5164 H2 WAT 1365 56.327 25.689 11.512 1.00 0.00 H +TER +ATOM 5165 O WAT 1366 63.531 30.949 2.964 1.00 0.00 O +ATOM 5166 H1 WAT 1366 63.971 31.692 2.550 1.00 0.00 H +ATOM 5167 H2 WAT 1366 63.470 31.192 3.888 1.00 0.00 H +TER +ATOM 5168 O WAT 1367 59.007 31.974 13.866 1.00 0.00 O +ATOM 5169 H1 WAT 1367 58.978 32.378 12.999 1.00 0.00 H +ATOM 5170 H2 WAT 1367 58.843 31.045 13.703 1.00 0.00 H +TER +ATOM 5171 O WAT 1368 53.160 27.802 7.575 1.00 0.00 O +ATOM 5172 H1 WAT 1368 53.238 27.936 6.630 1.00 0.00 H +ATOM 5173 H2 WAT 1368 53.775 27.093 7.767 1.00 0.00 H +TER +ATOM 5174 O WAT 1369 54.405 29.502 3.985 1.00 0.00 O +ATOM 5175 H1 WAT 1369 53.998 29.643 3.131 1.00 0.00 H +ATOM 5176 H2 WAT 1369 55.296 29.218 3.782 1.00 0.00 H +TER +ATOM 5177 O WAT 1370 64.223 33.651 10.892 1.00 0.00 O +ATOM 5178 H1 WAT 1370 64.738 33.562 11.694 1.00 0.00 H +ATOM 5179 H2 WAT 1370 63.380 33.997 11.185 1.00 0.00 H +TER +ATOM 5180 O WAT 1371 53.216 28.843 10.114 1.00 0.00 O +ATOM 5181 H1 WAT 1371 53.379 28.374 9.296 1.00 0.00 H +ATOM 5182 H2 WAT 1371 53.682 28.335 10.779 1.00 0.00 H +TER +ATOM 5183 O WAT 1372 57.988 17.974 5.150 1.00 0.00 O +ATOM 5184 H1 WAT 1372 57.545 18.755 4.819 1.00 0.00 H +ATOM 5185 H2 WAT 1372 58.547 18.297 5.857 1.00 0.00 H +TER +ATOM 5186 O WAT 1373 62.275 20.840 10.754 1.00 0.00 O +ATOM 5187 H1 WAT 1373 61.813 21.049 11.566 1.00 0.00 H +ATOM 5188 H2 WAT 1373 61.873 20.026 10.451 1.00 0.00 H +TER +ATOM 5189 O WAT 1374 64.371 23.562 13.983 1.00 0.00 O +ATOM 5190 H1 WAT 1374 64.696 22.728 13.643 1.00 0.00 H +ATOM 5191 H2 WAT 1374 65.159 24.084 14.131 1.00 0.00 H +TER +ATOM 5192 O WAT 1375 60.026 18.518 7.009 1.00 0.00 O +ATOM 5193 H1 WAT 1375 60.323 19.425 6.928 1.00 0.00 H +ATOM 5194 H2 WAT 1375 60.574 18.030 6.395 1.00 0.00 H +TER +ATOM 5195 O WAT 1376 57.780 23.097 2.878 1.00 0.00 O +ATOM 5196 H1 WAT 1376 57.554 22.881 3.783 1.00 0.00 H +ATOM 5197 H2 WAT 1376 56.999 23.530 2.533 1.00 0.00 H +TER +ATOM 5198 O WAT 1377 60.220 23.996 13.544 1.00 0.00 O +ATOM 5199 H1 WAT 1377 60.124 23.055 13.394 1.00 0.00 H +ATOM 5200 H2 WAT 1377 61.063 24.217 13.149 1.00 0.00 H +TER +ATOM 5201 O WAT 1378 63.616 21.740 3.508 1.00 0.00 O +ATOM 5202 H1 WAT 1378 64.009 22.057 2.695 1.00 0.00 H +ATOM 5203 H2 WAT 1378 63.978 20.861 3.622 1.00 0.00 H +TER +ATOM 5204 O WAT 1379 55.351 20.407 11.698 1.00 0.00 O +ATOM 5205 H1 WAT 1379 54.957 21.254 11.905 1.00 0.00 H +ATOM 5206 H2 WAT 1379 54.662 19.770 11.889 1.00 0.00 H +TER +ATOM 5207 O WAT 1380 61.925 20.490 14.767 1.00 0.00 O +ATOM 5208 H1 WAT 1380 61.235 20.298 15.402 1.00 0.00 H +ATOM 5209 H2 WAT 1380 62.668 20.774 15.300 1.00 0.00 H +TER +ATOM 5210 O WAT 1381 52.652 18.330 5.731 1.00 0.00 O +ATOM 5211 H1 WAT 1381 52.364 18.900 6.443 1.00 0.00 H +ATOM 5212 H2 WAT 1381 53.397 17.850 6.094 1.00 0.00 H +TER +ATOM 5213 O WAT 1382 64.201 24.330 7.603 1.00 0.00 O +ATOM 5214 H1 WAT 1382 63.470 24.839 7.952 1.00 0.00 H +ATOM 5215 H2 WAT 1382 63.804 23.513 7.302 1.00 0.00 H +TER +ATOM 5216 O WAT 1383 60.639 21.006 6.008 1.00 0.00 O +ATOM 5217 H1 WAT 1383 60.643 20.565 5.158 1.00 0.00 H +ATOM 5218 H2 WAT 1383 61.534 21.327 6.115 1.00 0.00 H +TER +ATOM 5219 O WAT 1384 56.489 20.888 4.967 1.00 0.00 O +ATOM 5220 H1 WAT 1384 56.149 21.366 5.724 1.00 0.00 H +ATOM 5221 H2 WAT 1384 55.727 20.435 4.608 1.00 0.00 H +TER +ATOM 5222 O WAT 1385 64.664 19.784 7.015 1.00 0.00 O +ATOM 5223 H1 WAT 1385 64.681 20.234 7.859 1.00 0.00 H +ATOM 5224 H2 WAT 1385 64.416 18.884 7.228 1.00 0.00 H +TER +ATOM 5225 O WAT 1386 54.790 28.218 12.274 1.00 0.00 O +ATOM 5226 H1 WAT 1386 54.406 27.578 12.872 1.00 0.00 H +ATOM 5227 H2 WAT 1386 55.101 28.922 12.843 1.00 0.00 H +TER +ATOM 5228 O WAT 1387 60.940 25.066 7.755 1.00 0.00 O +ATOM 5229 H1 WAT 1387 61.307 24.592 8.501 1.00 0.00 H +ATOM 5230 H2 WAT 1387 60.750 25.940 8.095 1.00 0.00 H +TER +ATOM 5231 O WAT 1388 53.804 19.810 3.884 1.00 0.00 O +ATOM 5232 H1 WAT 1388 53.519 19.446 4.722 1.00 0.00 H +ATOM 5233 H2 WAT 1388 53.742 19.078 3.270 1.00 0.00 H +TER +ATOM 5234 O WAT 1389 58.730 24.107 10.073 1.00 0.00 O +ATOM 5235 H1 WAT 1389 58.426 24.986 10.298 1.00 0.00 H +ATOM 5236 H2 WAT 1389 59.685 24.167 10.109 1.00 0.00 H +TER +ATOM 5237 O WAT 1390 63.399 27.380 12.349 1.00 0.00 O +ATOM 5238 H1 WAT 1390 63.332 26.460 12.095 1.00 0.00 H +ATOM 5239 H2 WAT 1390 62.769 27.478 13.064 1.00 0.00 H +TER +ATOM 5240 O WAT 1391 57.302 27.981 4.308 1.00 0.00 O +ATOM 5241 H1 WAT 1391 57.820 27.178 4.253 1.00 0.00 H +ATOM 5242 H2 WAT 1391 56.850 27.919 5.149 1.00 0.00 H +TER +ATOM 5243 O WAT 1392 54.786 24.947 11.220 1.00 0.00 O +ATOM 5244 H1 WAT 1392 54.428 25.612 11.807 1.00 0.00 H +ATOM 5245 H2 WAT 1392 54.492 24.115 11.591 1.00 0.00 H +TER +ATOM 5246 O WAT 1393 57.988 25.405 14.104 1.00 0.00 O +ATOM 5247 H1 WAT 1393 57.688 25.551 13.207 1.00 0.00 H +ATOM 5248 H2 WAT 1393 58.759 24.846 14.011 1.00 0.00 H +TER +ATOM 5249 O WAT 1394 63.330 30.202 12.100 1.00 0.00 O +ATOM 5250 H1 WAT 1394 63.345 29.270 11.881 1.00 0.00 H +ATOM 5251 H2 WAT 1394 62.623 30.288 12.739 1.00 0.00 H +TER +ATOM 5252 O WAT 1395 65.072 28.569 4.945 1.00 0.00 O +ATOM 5253 H1 WAT 1395 65.424 27.972 4.285 1.00 0.00 H +ATOM 5254 H2 WAT 1395 64.188 28.243 5.116 1.00 0.00 H +TER +ATOM 5255 O WAT 1396 61.158 29.329 2.352 1.00 0.00 O +ATOM 5256 H1 WAT 1396 61.845 29.876 2.733 1.00 0.00 H +ATOM 5257 H2 WAT 1396 60.371 29.873 2.387 1.00 0.00 H +TER +ATOM 5258 O WAT 1397 62.764 31.844 9.194 1.00 0.00 O +ATOM 5259 H1 WAT 1397 63.408 32.050 9.871 1.00 0.00 H +ATOM 5260 H2 WAT 1397 63.127 31.083 8.741 1.00 0.00 H +TER +ATOM 5261 O WAT 1398 56.362 16.677 2.437 1.00 0.00 O +ATOM 5262 H1 WAT 1398 56.233 16.669 3.385 1.00 0.00 H +ATOM 5263 H2 WAT 1398 55.538 17.015 2.086 1.00 0.00 H +TER +ATOM 5264 O WAT 1399 64.037 29.847 7.911 1.00 0.00 O +ATOM 5265 H1 WAT 1399 64.679 29.147 8.025 1.00 0.00 H +ATOM 5266 H2 WAT 1399 64.562 30.627 7.731 1.00 0.00 H +TER +ATOM 5267 O WAT 1400 53.361 18.436 11.897 1.00 0.00 O +ATOM 5268 H1 WAT 1400 52.647 18.636 12.503 1.00 0.00 H +ATOM 5269 H2 WAT 1400 53.781 17.660 12.269 1.00 0.00 H +TER +ATOM 5270 O WAT 1401 53.648 32.424 12.884 1.00 0.00 O +ATOM 5271 H1 WAT 1401 53.758 31.484 12.744 1.00 0.00 H +ATOM 5272 H2 WAT 1401 52.996 32.690 12.235 1.00 0.00 H +TER +ATOM 5273 O WAT 1402 61.640 30.696 14.284 1.00 0.00 O +ATOM 5274 H1 WAT 1402 61.319 29.977 14.828 1.00 0.00 H +ATOM 5275 H2 WAT 1402 60.965 31.371 14.357 1.00 0.00 H +TER +ATOM 5276 O WAT 1403 64.855 20.929 9.647 1.00 0.00 O +ATOM 5277 H1 WAT 1403 65.223 20.108 9.975 1.00 0.00 H +ATOM 5278 H2 WAT 1403 63.995 20.989 10.063 1.00 0.00 H +TER +ATOM 5279 O WAT 1404 61.815 23.582 9.871 1.00 0.00 O +ATOM 5280 H1 WAT 1404 62.314 24.057 10.536 1.00 0.00 H +ATOM 5281 H2 WAT 1404 61.958 22.659 10.078 1.00 0.00 H +TER +ATOM 5282 O WAT 1405 64.221 18.888 3.312 1.00 0.00 O +ATOM 5283 H1 WAT 1405 64.098 18.906 2.363 1.00 0.00 H +ATOM 5284 H2 WAT 1405 65.170 18.936 3.431 1.00 0.00 H +TER +ATOM 5285 O WAT 1406 56.788 34.307 5.507 1.00 0.00 O +ATOM 5286 H1 WAT 1406 57.525 33.758 5.778 1.00 0.00 H +ATOM 5287 H2 WAT 1406 57.173 35.172 5.368 1.00 0.00 H +TER +ATOM 5288 O WAT 1407 55.794 33.491 14.696 1.00 0.00 O +ATOM 5289 H1 WAT 1407 56.596 33.812 15.109 1.00 0.00 H +ATOM 5290 H2 WAT 1407 55.279 33.131 15.418 1.00 0.00 H +TER +ATOM 5291 O WAT 1408 64.631 29.599 14.643 1.00 0.00 O +ATOM 5292 H1 WAT 1408 64.025 29.622 13.903 1.00 0.00 H +ATOM 5293 H2 WAT 1408 64.326 28.867 15.180 1.00 0.00 H +TER +ATOM 5294 O WAT 1409 53.514 25.979 13.640 1.00 0.00 O +ATOM 5295 H1 WAT 1409 54.018 25.399 14.211 1.00 0.00 H +ATOM 5296 H2 WAT 1409 52.775 26.263 14.177 1.00 0.00 H +TER +ATOM 5297 O WAT 1410 60.568 27.386 13.173 1.00 0.00 O +ATOM 5298 H1 WAT 1410 59.802 27.954 13.089 1.00 0.00 H +ATOM 5299 H2 WAT 1410 60.749 27.093 12.280 1.00 0.00 H +TER +ATOM 5300 O WAT 1411 55.546 24.121 14.535 1.00 0.00 O +ATOM 5301 H1 WAT 1411 55.587 23.823 15.443 1.00 0.00 H +ATOM 5302 H2 WAT 1411 56.401 24.522 14.375 1.00 0.00 H +TER +ATOM 5303 O WAT 1412 57.487 22.701 12.502 1.00 0.00 O +ATOM 5304 H1 WAT 1412 56.957 22.210 11.874 1.00 0.00 H +ATOM 5305 H2 WAT 1412 58.156 23.129 11.968 1.00 0.00 H +TER +ATOM 5306 O WAT 1413 57.974 19.667 12.582 1.00 0.00 O +ATOM 5307 H1 WAT 1413 57.880 19.049 11.857 1.00 0.00 H +ATOM 5308 H2 WAT 1413 57.394 20.394 12.355 1.00 0.00 H +TER +ATOM 5309 O WAT 1414 60.740 18.224 9.614 1.00 0.00 O +ATOM 5310 H1 WAT 1414 60.292 18.247 8.769 1.00 0.00 H +ATOM 5311 H2 WAT 1414 60.107 17.826 10.212 1.00 0.00 H +TER +ATOM 5312 O WAT 1415 61.146 27.120 10.236 1.00 0.00 O +ATOM 5313 H1 WAT 1415 61.565 27.963 10.063 1.00 0.00 H +ATOM 5314 H2 WAT 1415 60.227 27.257 10.006 1.00 0.00 H +TER +ATOM 5315 O WAT 1416 63.483 24.851 11.620 1.00 0.00 O +ATOM 5316 H1 WAT 1416 63.602 24.255 12.359 1.00 0.00 H +ATOM 5317 H2 WAT 1416 64.342 24.888 11.200 1.00 0.00 H +TER +ATOM 5318 O WAT 1417 58.997 33.425 11.351 1.00 0.00 O +ATOM 5319 H1 WAT 1417 58.459 34.150 11.032 1.00 0.00 H +ATOM 5320 H2 WAT 1417 59.250 32.948 10.561 1.00 0.00 H +TER +ATOM 5321 O WAT 1418 60.250 21.393 12.877 1.00 0.00 O +ATOM 5322 H1 WAT 1418 60.839 21.085 13.565 1.00 0.00 H +ATOM 5323 H2 WAT 1418 59.432 20.921 13.033 1.00 0.00 H +TER +ATOM 5324 O WAT 1419 61.853 34.660 11.610 1.00 0.00 O +ATOM 5325 H1 WAT 1419 61.779 35.564 11.917 1.00 0.00 H +ATOM 5326 H2 WAT 1419 60.951 34.341 11.582 1.00 0.00 H +TER +ATOM 5327 O WAT 1420 53.256 31.988 4.914 1.00 0.00 O +ATOM 5328 H1 WAT 1420 53.586 31.120 4.681 1.00 0.00 H +ATOM 5329 H2 WAT 1420 53.685 32.193 5.744 1.00 0.00 H +TER +ATOM 5330 O WAT 1421 57.852 30.318 2.574 1.00 0.00 O +ATOM 5331 H1 WAT 1421 57.552 30.195 3.474 1.00 0.00 H +ATOM 5332 H2 WAT 1421 57.746 29.459 2.165 1.00 0.00 H +TER +ATOM 5333 O WAT 1422 53.745 32.855 7.652 1.00 0.00 O +ATOM 5334 H1 WAT 1422 53.308 33.035 8.484 1.00 0.00 H +ATOM 5335 H2 WAT 1422 54.313 33.612 7.510 1.00 0.00 H +TER +ATOM 5336 O WAT 1423 53.577 25.367 4.011 1.00 0.00 O +ATOM 5337 H1 WAT 1423 52.922 25.098 3.367 1.00 0.00 H +ATOM 5338 H2 WAT 1423 54.415 25.257 3.561 1.00 0.00 H +TER +ATOM 5339 O WAT 1424 54.615 25.752 8.551 1.00 0.00 O +ATOM 5340 H1 WAT 1424 54.982 25.665 9.431 1.00 0.00 H +ATOM 5341 H2 WAT 1424 54.046 24.989 8.452 1.00 0.00 H +TER +ATOM 5342 O WAT 1425 54.167 22.663 12.457 1.00 0.00 O +ATOM 5343 H1 WAT 1425 53.272 22.630 12.796 1.00 0.00 H +ATOM 5344 H2 WAT 1425 54.706 22.862 13.222 1.00 0.00 H +TER +ATOM 5345 O WAT 1426 54.671 16.938 6.805 1.00 0.00 O +ATOM 5346 H1 WAT 1426 55.318 16.387 6.365 1.00 0.00 H +ATOM 5347 H2 WAT 1426 55.091 17.192 7.627 1.00 0.00 H +TER +ATOM 5348 O WAT 1427 54.424 17.093 9.548 1.00 0.00 O +ATOM 5349 H1 WAT 1427 54.075 17.550 10.313 1.00 0.00 H +ATOM 5350 H2 WAT 1427 54.093 16.199 9.630 1.00 0.00 H +TER +ATOM 5351 O WAT 1428 56.030 30.265 13.713 1.00 0.00 O +ATOM 5352 H1 WAT 1428 55.987 29.894 14.594 1.00 0.00 H +ATOM 5353 H2 WAT 1428 56.161 31.203 13.853 1.00 0.00 H +TER +ATOM 5354 O WAT 1429 59.731 31.821 9.314 1.00 0.00 O +ATOM 5355 H1 WAT 1429 59.490 32.089 8.427 1.00 0.00 H +ATOM 5356 H2 WAT 1429 60.671 31.992 9.369 1.00 0.00 H +TER +ATOM 5357 O WAT 1430 61.936 18.284 13.070 1.00 0.00 O +ATOM 5358 H1 WAT 1430 61.875 18.877 13.819 1.00 0.00 H +ATOM 5359 H2 WAT 1430 62.876 18.177 12.925 1.00 0.00 H +TER +ATOM 5360 O WAT 1431 64.574 17.941 12.709 1.00 0.00 O +ATOM 5361 H1 WAT 1431 65.188 18.259 12.047 1.00 0.00 H +ATOM 5362 H2 WAT 1431 65.119 17.456 13.328 1.00 0.00 H +TER +ATOM 5363 O WAT 1432 55.096 16.621 12.823 1.00 0.00 O +ATOM 5364 H1 WAT 1432 55.644 16.440 12.059 1.00 0.00 H +ATOM 5365 H2 WAT 1432 55.161 15.830 13.358 1.00 0.00 H +TER +ATOM 5366 O WAT 1433 55.869 33.211 10.833 1.00 0.00 O +ATOM 5367 H1 WAT 1433 55.275 33.080 11.572 1.00 0.00 H +ATOM 5368 H2 WAT 1433 55.861 32.375 10.367 1.00 0.00 H +TER +ATOM 5369 O WAT 1434 65.315 16.505 9.036 1.00 0.00 O +ATOM 5370 H1 WAT 1434 64.440 16.838 8.833 1.00 0.00 H +ATOM 5371 H2 WAT 1434 65.206 16.032 9.861 1.00 0.00 H +TER +ATOM 5372 O WAT 1435 55.500 30.577 9.783 1.00 0.00 O +ATOM 5373 H1 WAT 1435 54.774 29.958 9.716 1.00 0.00 H +ATOM 5374 H2 WAT 1435 55.561 30.971 8.913 1.00 0.00 H +TER +ATOM 5375 O WAT 1436 59.105 32.792 6.568 1.00 0.00 O +ATOM 5376 H1 WAT 1436 59.621 32.180 6.043 1.00 0.00 H +ATOM 5377 H2 WAT 1436 59.754 33.295 7.060 1.00 0.00 H +TER +ATOM 5378 O WAT 1437 61.844 33.683 7.395 1.00 0.00 O +ATOM 5379 H1 WAT 1437 62.132 33.428 6.519 1.00 0.00 H +ATOM 5380 H2 WAT 1437 62.357 33.130 7.986 1.00 0.00 H +TER +ATOM 5381 O WAT 1438 63.062 17.422 7.975 1.00 0.00 O +ATOM 5382 H1 WAT 1438 62.279 17.896 8.255 1.00 0.00 H +ATOM 5383 H2 WAT 1438 62.768 16.517 7.866 1.00 0.00 H +TER +ATOM 5384 O WAT 1439 53.783 33.895 2.993 1.00 0.00 O +ATOM 5385 H1 WAT 1439 53.615 33.262 3.691 1.00 0.00 H +ATOM 5386 H2 WAT 1439 52.917 34.101 2.643 1.00 0.00 H +TER +ATOM 5387 O WAT 1440 60.947 19.840 3.487 1.00 0.00 O +ATOM 5388 H1 WAT 1440 60.135 19.466 3.146 1.00 0.00 H +ATOM 5389 H2 WAT 1440 61.452 19.085 3.789 1.00 0.00 H +TER +ATOM 5390 O WAT 1441 61.912 34.604 14.762 1.00 0.00 O +ATOM 5391 H1 WAT 1441 62.838 34.369 14.806 1.00 0.00 H +ATOM 5392 H2 WAT 1441 61.897 35.431 14.281 1.00 0.00 H +TER +ATOM 5393 O WAT 1442 59.098 17.269 14.526 1.00 0.00 O +ATOM 5394 H1 WAT 1442 58.816 17.772 13.762 1.00 0.00 H +ATOM 5395 H2 WAT 1442 59.480 16.471 14.161 1.00 0.00 H +TER +ATOM 5396 O WAT 1443 64.605 5.929 60.565 1.00 0.00 O +ATOM 5397 H1 WAT 1443 64.525 5.014 60.294 1.00 0.00 H +ATOM 5398 H2 WAT 1443 64.192 6.426 59.859 1.00 0.00 H +TER +ATOM 5399 O WAT 1444 62.737 7.707 62.446 1.00 0.00 O +ATOM 5400 H1 WAT 1444 61.961 7.227 62.736 1.00 0.00 H +ATOM 5401 H2 WAT 1444 63.388 7.027 62.272 1.00 0.00 H +TER +ATOM 5402 O WAT 1445 56.754 8.019 63.324 1.00 0.00 O +ATOM 5403 H1 WAT 1445 55.922 7.764 63.723 1.00 0.00 H +ATOM 5404 H2 WAT 1445 57.362 8.090 64.060 1.00 0.00 H +TER +ATOM 5405 O WAT 1446 56.734 12.053 63.520 1.00 0.00 O +ATOM 5406 H1 WAT 1446 57.037 11.163 63.341 1.00 0.00 H +ATOM 5407 H2 WAT 1446 57.478 12.610 63.292 1.00 0.00 H +TER +ATOM 5408 O WAT 1447 55.163 2.979 57.108 1.00 0.00 O +ATOM 5409 H1 WAT 1447 54.274 3.321 57.006 1.00 0.00 H +ATOM 5410 H2 WAT 1447 55.447 2.779 56.216 1.00 0.00 H +TER +ATOM 5411 O WAT 1448 53.126 5.580 62.992 1.00 0.00 O +ATOM 5412 H1 WAT 1448 53.698 4.812 62.992 1.00 0.00 H +ATOM 5413 H2 WAT 1448 53.126 5.878 62.083 1.00 0.00 H +TER +ATOM 5414 O WAT 1449 62.984 14.399 60.847 1.00 0.00 O +ATOM 5415 H1 WAT 1449 62.365 14.854 60.276 1.00 0.00 H +ATOM 5416 H2 WAT 1449 63.839 14.554 60.445 1.00 0.00 H +TER +ATOM 5417 O WAT 1450 62.178 10.383 62.453 1.00 0.00 O +ATOM 5418 H1 WAT 1450 62.109 9.442 62.292 1.00 0.00 H +ATOM 5419 H2 WAT 1450 62.940 10.473 63.025 1.00 0.00 H +TER +ATOM 5420 O WAT 1451 63.208 3.190 62.680 1.00 0.00 O +ATOM 5421 H1 WAT 1451 63.585 2.317 62.567 1.00 0.00 H +ATOM 5422 H2 WAT 1451 63.110 3.525 61.789 1.00 0.00 H +TER +ATOM 5423 O WAT 1452 54.987 3.484 63.387 1.00 0.00 O +ATOM 5424 H1 WAT 1452 55.668 3.748 64.006 1.00 0.00 H +ATOM 5425 H2 WAT 1452 54.672 2.644 63.721 1.00 0.00 H +TER +ATOM 5426 O WAT 1453 59.180 4.531 62.474 1.00 0.00 O +ATOM 5427 H1 WAT 1453 59.688 5.029 63.115 1.00 0.00 H +ATOM 5428 H2 WAT 1453 59.711 3.754 62.298 1.00 0.00 H +TER +ATOM 5429 O WAT 1454 63.850 9.283 58.240 1.00 0.00 O +ATOM 5430 H1 WAT 1454 63.232 9.748 57.676 1.00 0.00 H +ATOM 5431 H2 WAT 1454 64.363 9.975 58.657 1.00 0.00 H +TER +ATOM 5432 O WAT 1455 58.714 8.810 64.918 1.00 0.00 O +ATOM 5433 H1 WAT 1455 58.381 9.437 65.560 1.00 0.00 H +ATOM 5434 H2 WAT 1455 58.890 9.336 64.138 1.00 0.00 H +TER +ATOM 5435 O WAT 1456 53.219 9.968 55.614 1.00 0.00 O +ATOM 5436 H1 WAT 1456 52.842 10.457 54.882 1.00 0.00 H +ATOM 5437 H2 WAT 1456 53.476 10.641 56.244 1.00 0.00 H +TER +ATOM 5438 O WAT 1457 63.216 6.435 57.808 1.00 0.00 O +ATOM 5439 H1 WAT 1457 62.289 6.368 58.037 1.00 0.00 H +ATOM 5440 H2 WAT 1457 63.368 7.373 57.694 1.00 0.00 H +TER +ATOM 5441 O WAT 1458 63.203 2.706 54.805 1.00 0.00 O +ATOM 5442 H1 WAT 1458 62.263 2.868 54.890 1.00 0.00 H +ATOM 5443 H2 WAT 1458 63.521 3.425 54.259 1.00 0.00 H +TER +ATOM 5444 O WAT 1459 58.821 6.961 60.590 1.00 0.00 O +ATOM 5445 H1 WAT 1459 58.417 6.249 60.095 1.00 0.00 H +ATOM 5446 H2 WAT 1459 58.908 6.617 61.479 1.00 0.00 H +TER +ATOM 5447 O WAT 1460 59.290 10.648 62.754 1.00 0.00 O +ATOM 5448 H1 WAT 1460 58.992 10.043 62.075 1.00 0.00 H +ATOM 5449 H2 WAT 1460 60.240 10.686 62.643 1.00 0.00 H +TER +ATOM 5450 O WAT 1461 57.534 3.736 64.370 1.00 0.00 O +ATOM 5451 H1 WAT 1461 58.086 3.845 63.595 1.00 0.00 H +ATOM 5452 H2 WAT 1461 58.049 4.109 65.086 1.00 0.00 H +TER +ATOM 5453 O WAT 1462 63.531 12.175 59.287 1.00 0.00 O +ATOM 5454 H1 WAT 1462 63.971 12.918 58.873 1.00 0.00 H +ATOM 5455 H2 WAT 1462 63.470 12.418 60.211 1.00 0.00 H +TER +ATOM 5456 O WAT 1463 55.522 5.856 58.091 1.00 0.00 O +ATOM 5457 H1 WAT 1463 55.402 6.582 57.479 1.00 0.00 H +ATOM 5458 H2 WAT 1463 55.212 5.086 57.614 1.00 0.00 H +TER +ATOM 5459 O WAT 1464 53.160 9.027 63.898 1.00 0.00 O +ATOM 5460 H1 WAT 1464 53.238 9.162 62.953 1.00 0.00 H +ATOM 5461 H2 WAT 1464 53.775 8.319 64.091 1.00 0.00 H +TER +ATOM 5462 O WAT 1465 54.405 10.727 60.308 1.00 0.00 O +ATOM 5463 H1 WAT 1465 53.998 10.869 59.454 1.00 0.00 H +ATOM 5464 H2 WAT 1465 55.296 10.443 60.105 1.00 0.00 H +TER +ATOM 5465 O WAT 1466 58.677 14.942 58.421 1.00 0.00 O +ATOM 5466 H1 WAT 1466 58.502 14.025 58.207 1.00 0.00 H +ATOM 5467 H2 WAT 1466 57.823 15.301 58.660 1.00 0.00 H +TER +ATOM 5468 O WAT 1467 57.780 4.323 59.201 1.00 0.00 O +ATOM 5469 H1 WAT 1467 57.554 4.106 60.106 1.00 0.00 H +ATOM 5470 H2 WAT 1467 56.999 4.755 58.856 1.00 0.00 H +TER +ATOM 5471 O WAT 1468 65.009 4.329 57.800 1.00 0.00 O +ATOM 5472 H1 WAT 1468 64.410 5.053 57.617 1.00 0.00 H +ATOM 5473 H2 WAT 1468 65.557 4.267 57.018 1.00 0.00 H +TER +ATOM 5474 O WAT 1469 63.616 2.965 59.831 1.00 0.00 O +ATOM 5475 H1 WAT 1469 64.009 3.283 59.018 1.00 0.00 H +ATOM 5476 H2 WAT 1469 63.978 2.086 59.945 1.00 0.00 H +TER +ATOM 5477 O WAT 1470 52.839 3.497 53.264 1.00 0.00 O +ATOM 5478 H1 WAT 1470 52.757 4.440 53.406 1.00 0.00 H +ATOM 5479 H2 WAT 1470 52.488 3.355 52.385 1.00 0.00 H +TER +ATOM 5480 O WAT 1471 64.201 5.556 63.926 1.00 0.00 O +ATOM 5481 H1 WAT 1471 63.470 6.065 64.275 1.00 0.00 H +ATOM 5482 H2 WAT 1471 63.804 4.739 63.625 1.00 0.00 H +TER +ATOM 5483 O WAT 1472 60.701 3.232 55.322 1.00 0.00 O +ATOM 5484 H1 WAT 1472 60.822 3.191 56.270 1.00 0.00 H +ATOM 5485 H2 WAT 1472 60.316 4.095 55.166 1.00 0.00 H +TER +ATOM 5486 O WAT 1473 59.713 5.543 54.720 1.00 0.00 O +ATOM 5487 H1 WAT 1473 59.145 5.094 54.094 1.00 0.00 H +ATOM 5488 H2 WAT 1473 60.422 5.902 54.187 1.00 0.00 H +TER +ATOM 5489 O WAT 1474 60.940 6.291 64.078 1.00 0.00 O +ATOM 5490 H1 WAT 1474 61.307 5.817 64.824 1.00 0.00 H +ATOM 5491 H2 WAT 1474 60.750 7.166 64.418 1.00 0.00 H +TER +ATOM 5492 O WAT 1475 57.258 9.538 56.993 1.00 0.00 O +ATOM 5493 H1 WAT 1475 56.484 8.998 56.833 1.00 0.00 H +ATOM 5494 H2 WAT 1475 57.988 9.019 56.654 1.00 0.00 H +TER +ATOM 5495 O WAT 1476 57.302 9.206 60.631 1.00 0.00 O +ATOM 5496 H1 WAT 1476 57.820 8.403 60.576 1.00 0.00 H +ATOM 5497 H2 WAT 1476 56.850 9.144 61.472 1.00 0.00 H +TER +ATOM 5498 O WAT 1477 62.189 10.473 55.903 1.00 0.00 O +ATOM 5499 H1 WAT 1477 62.530 11.217 55.408 1.00 0.00 H +ATOM 5500 H2 WAT 1477 61.360 10.786 56.266 1.00 0.00 H +TER +ATOM 5501 O WAT 1478 65.072 9.795 61.268 1.00 0.00 O +ATOM 5502 H1 WAT 1478 65.424 9.197 60.608 1.00 0.00 H +ATOM 5503 H2 WAT 1478 64.188 9.469 61.439 1.00 0.00 H +TER +ATOM 5504 O WAT 1479 61.158 10.554 58.675 1.00 0.00 O +ATOM 5505 H1 WAT 1479 61.845 11.101 59.056 1.00 0.00 H +ATOM 5506 H2 WAT 1479 60.371 11.099 58.710 1.00 0.00 H +TER +ATOM 5507 O WAT 1480 53.297 6.172 54.167 1.00 0.00 O +ATOM 5508 H1 WAT 1480 54.167 6.454 54.450 1.00 0.00 H +ATOM 5509 H2 WAT 1480 52.806 6.985 54.052 1.00 0.00 H +TER +ATOM 5510 O WAT 1481 60.461 7.559 58.287 1.00 0.00 O +ATOM 5511 H1 WAT 1481 60.917 8.370 58.513 1.00 0.00 H +ATOM 5512 H2 WAT 1481 60.109 7.241 59.119 1.00 0.00 H +TER +ATOM 5513 O WAT 1482 64.037 11.073 64.234 1.00 0.00 O +ATOM 5514 H1 WAT 1482 64.679 10.372 64.348 1.00 0.00 H +ATOM 5515 H2 WAT 1482 64.562 11.853 64.054 1.00 0.00 H +TER +ATOM 5516 O WAT 1483 53.664 15.384 54.733 1.00 0.00 O +ATOM 5517 H1 WAT 1483 54.024 15.983 54.079 1.00 0.00 H +ATOM 5518 H2 WAT 1483 53.523 15.930 55.506 1.00 0.00 H +TER +ATOM 5519 O WAT 1484 59.681 12.768 55.550 1.00 0.00 O +ATOM 5520 H1 WAT 1484 59.672 13.501 54.935 1.00 0.00 H +ATOM 5521 H2 WAT 1484 58.761 12.521 55.643 1.00 0.00 H +TER +ATOM 5522 O WAT 1485 55.282 7.989 56.295 1.00 0.00 O +ATOM 5523 H1 WAT 1485 54.675 8.729 56.304 1.00 0.00 H +ATOM 5524 H2 WAT 1485 55.757 8.079 55.469 1.00 0.00 H +TER +ATOM 5525 O WAT 1486 62.667 12.830 54.213 1.00 0.00 O +ATOM 5526 H1 WAT 1486 62.768 12.627 53.283 1.00 0.00 H +ATOM 5527 H2 WAT 1486 61.767 12.576 54.417 1.00 0.00 H +TER +ATOM 5528 O WAT 1487 60.190 3.388 58.195 1.00 0.00 O +ATOM 5529 H1 WAT 1487 59.481 3.857 58.636 1.00 0.00 H +ATOM 5530 H2 WAT 1487 60.474 2.731 58.830 1.00 0.00 H +TER +ATOM 5531 O WAT 1488 61.309 15.349 58.907 1.00 0.00 O +ATOM 5532 H1 WAT 1488 61.563 15.311 57.985 1.00 0.00 H +ATOM 5533 H2 WAT 1488 60.360 15.222 58.900 1.00 0.00 H +TER +ATOM 5534 O WAT 1489 57.292 7.950 54.044 1.00 0.00 O +ATOM 5535 H1 WAT 1489 58.059 7.838 54.606 1.00 0.00 H +ATOM 5536 H2 WAT 1489 57.370 7.254 53.391 1.00 0.00 H +TER +ATOM 5537 O WAT 1490 55.987 5.383 54.727 1.00 0.00 O +ATOM 5538 H1 WAT 1490 56.067 4.435 54.839 1.00 0.00 H +ATOM 5539 H2 WAT 1490 56.879 5.713 54.833 1.00 0.00 H +TER +ATOM 5540 O WAT 1491 56.788 15.532 61.830 1.00 0.00 O +ATOM 5541 H1 WAT 1491 57.525 14.984 62.101 1.00 0.00 H +ATOM 5542 H2 WAT 1491 57.173 16.398 61.691 1.00 0.00 H +TER +ATOM 5543 O WAT 1492 53.673 11.600 57.705 1.00 0.00 O +ATOM 5544 H1 WAT 1492 52.747 11.842 57.695 1.00 0.00 H +ATOM 5545 H2 WAT 1492 54.139 12.427 57.583 1.00 0.00 H +TER +ATOM 5546 O WAT 1493 59.899 14.705 53.653 1.00 0.00 O +ATOM 5547 H1 WAT 1493 60.692 14.994 53.201 1.00 0.00 H +ATOM 5548 H2 WAT 1493 59.379 14.274 52.974 1.00 0.00 H +TER +ATOM 5549 O WAT 1494 60.416 9.926 53.517 1.00 0.00 O +ATOM 5550 H1 WAT 1494 60.311 9.311 54.243 1.00 0.00 H +ATOM 5551 H2 WAT 1494 60.249 9.402 52.734 1.00 0.00 H +TER +ATOM 5552 O WAT 1495 63.657 8.988 54.121 1.00 0.00 O +ATOM 5553 H1 WAT 1495 63.108 9.435 54.766 1.00 0.00 H +ATOM 5554 H2 WAT 1495 64.279 8.483 54.645 1.00 0.00 H +TER +ATOM 5555 O WAT 1496 59.324 7.947 56.018 1.00 0.00 O +ATOM 5556 H1 WAT 1496 59.746 7.781 56.861 1.00 0.00 H +ATOM 5557 H2 WAT 1496 59.449 7.137 55.523 1.00 0.00 H +TER +ATOM 5558 O WAT 1497 61.837 6.970 53.266 1.00 0.00 O +ATOM 5559 H1 WAT 1497 62.358 6.255 52.900 1.00 0.00 H +ATOM 5560 H2 WAT 1497 62.484 7.609 53.566 1.00 0.00 H +TER +ATOM 5561 O WAT 1498 58.220 4.020 52.964 1.00 0.00 O +ATOM 5562 H1 WAT 1498 58.019 3.157 53.325 1.00 0.00 H +ATOM 5563 H2 WAT 1498 58.049 3.933 52.026 1.00 0.00 H +TER +ATOM 5564 O WAT 1499 62.402 15.052 55.556 1.00 0.00 O +ATOM 5565 H1 WAT 1499 63.297 15.390 55.578 1.00 0.00 H +ATOM 5566 H2 WAT 1499 62.434 14.330 54.928 1.00 0.00 H +TER +ATOM 5567 O WAT 1500 56.041 10.424 53.785 1.00 0.00 O +ATOM 5568 H1 WAT 1500 56.479 10.967 54.440 1.00 0.00 H +ATOM 5569 H2 WAT 1500 56.526 9.599 53.794 1.00 0.00 H +TER +ATOM 5570 O WAT 1501 53.256 13.213 61.237 1.00 0.00 O +ATOM 5571 H1 WAT 1501 53.586 12.345 61.004 1.00 0.00 H +ATOM 5572 H2 WAT 1501 53.685 13.419 62.067 1.00 0.00 H +TER +ATOM 5573 O WAT 1502 57.852 11.544 58.897 1.00 0.00 O +ATOM 5574 H1 WAT 1502 57.552 11.421 59.797 1.00 0.00 H +ATOM 5575 H2 WAT 1502 57.746 10.685 58.488 1.00 0.00 H +TER +ATOM 5576 O WAT 1503 53.745 14.080 63.975 1.00 0.00 O +ATOM 5577 H1 WAT 1503 53.308 14.260 64.807 1.00 0.00 H +ATOM 5578 H2 WAT 1503 54.313 14.838 63.833 1.00 0.00 H +TER +ATOM 5579 O WAT 1504 53.577 6.592 60.334 1.00 0.00 O +ATOM 5580 H1 WAT 1504 52.922 6.323 59.690 1.00 0.00 H +ATOM 5581 H2 WAT 1504 54.415 6.483 59.884 1.00 0.00 H +TER +ATOM 5582 O WAT 1505 54.615 6.978 64.874 1.00 0.00 O +ATOM 5583 H1 WAT 1505 54.982 6.890 65.754 1.00 0.00 H +ATOM 5584 H2 WAT 1505 54.046 6.214 64.775 1.00 0.00 H +TER +ATOM 5585 O WAT 1506 52.791 3.802 56.276 1.00 0.00 O +ATOM 5586 H1 WAT 1506 51.888 4.065 56.101 1.00 0.00 H +ATOM 5587 H2 WAT 1506 53.275 4.073 55.496 1.00 0.00 H +TER +ATOM 5588 O WAT 1507 55.334 2.859 54.186 1.00 0.00 O +ATOM 5589 H1 WAT 1507 56.043 2.437 53.700 1.00 0.00 H +ATOM 5590 H2 WAT 1507 54.618 2.926 53.554 1.00 0.00 H +TER +ATOM 5591 O WAT 1508 59.731 13.047 65.637 1.00 0.00 O +ATOM 5592 H1 WAT 1508 59.490 13.314 64.750 1.00 0.00 H +ATOM 5593 H2 WAT 1508 60.671 13.217 65.692 1.00 0.00 H +TER +ATOM 5594 O WAT 1509 59.105 14.017 62.891 1.00 0.00 O +ATOM 5595 H1 WAT 1509 59.621 13.406 62.366 1.00 0.00 H +ATOM 5596 H2 WAT 1509 59.754 14.520 63.383 1.00 0.00 H +TER +ATOM 5597 O WAT 1510 61.844 14.908 63.718 1.00 0.00 O +ATOM 5598 H1 WAT 1510 62.132 14.654 62.842 1.00 0.00 H +ATOM 5599 H2 WAT 1510 62.357 14.356 64.309 1.00 0.00 H +TER +ATOM 5600 O WAT 1511 53.783 15.120 59.316 1.00 0.00 O +ATOM 5601 H1 WAT 1511 53.615 14.487 60.014 1.00 0.00 H +ATOM 5602 H2 WAT 1511 52.917 15.326 58.966 1.00 0.00 H +TER +ATOM 5603 O WAT 1512 55.389 13.814 56.761 1.00 0.00 O +ATOM 5604 H1 WAT 1512 54.864 14.194 56.057 1.00 0.00 H +ATOM 5605 H2 WAT 1512 55.314 14.439 57.482 1.00 0.00 H +TER +ATOM 5606 O WAT 1513 57.989 15.762 55.636 1.00 0.00 O +ATOM 5607 H1 WAT 1513 58.721 15.478 55.089 1.00 0.00 H +ATOM 5608 H2 WAT 1513 58.248 15.523 56.526 1.00 0.00 H +TER +ATOM 5609 O WAT 1514 57.150 11.878 55.641 1.00 0.00 O +ATOM 5610 H1 WAT 1514 56.521 12.347 56.189 1.00 0.00 H +ATOM 5611 H2 WAT 1514 57.265 11.033 56.075 1.00 0.00 H +TER +ATOM 5612 O WAT 1515 64.605 5.929 41.791 1.00 0.00 O +ATOM 5613 H1 WAT 1515 64.525 5.014 41.520 1.00 0.00 H +ATOM 5614 H2 WAT 1515 64.192 6.426 41.085 1.00 0.00 H +TER +ATOM 5615 O WAT 1516 62.737 7.707 43.672 1.00 0.00 O +ATOM 5616 H1 WAT 1516 61.961 7.227 43.962 1.00 0.00 H +ATOM 5617 H2 WAT 1516 63.388 7.027 43.497 1.00 0.00 H +TER +ATOM 5618 O WAT 1517 56.754 8.019 44.549 1.00 0.00 O +ATOM 5619 H1 WAT 1517 55.922 7.764 44.949 1.00 0.00 H +ATOM 5620 H2 WAT 1517 57.362 8.090 45.285 1.00 0.00 H +TER +ATOM 5621 O WAT 1518 56.734 12.053 44.745 1.00 0.00 O +ATOM 5622 H1 WAT 1518 57.037 11.163 44.566 1.00 0.00 H +ATOM 5623 H2 WAT 1518 57.478 12.610 44.517 1.00 0.00 H +TER +ATOM 5624 O WAT 1519 55.163 2.979 38.334 1.00 0.00 O +ATOM 5625 H1 WAT 1519 54.274 3.321 38.232 1.00 0.00 H +ATOM 5626 H2 WAT 1519 55.447 2.779 37.442 1.00 0.00 H +TER +ATOM 5627 O WAT 1520 53.126 5.580 44.218 1.00 0.00 O +ATOM 5628 H1 WAT 1520 53.698 4.812 44.218 1.00 0.00 H +ATOM 5629 H2 WAT 1520 53.126 5.878 43.308 1.00 0.00 H +TER +ATOM 5630 O WAT 1521 62.984 14.399 42.072 1.00 0.00 O +ATOM 5631 H1 WAT 1521 62.365 14.854 41.502 1.00 0.00 H +ATOM 5632 H2 WAT 1521 63.839 14.554 41.671 1.00 0.00 H +TER +ATOM 5633 O WAT 1522 62.178 10.383 43.679 1.00 0.00 O +ATOM 5634 H1 WAT 1522 62.109 9.442 43.518 1.00 0.00 H +ATOM 5635 H2 WAT 1522 62.940 10.473 44.251 1.00 0.00 H +TER +ATOM 5636 O WAT 1523 63.208 3.190 43.906 1.00 0.00 O +ATOM 5637 H1 WAT 1523 63.585 2.317 43.793 1.00 0.00 H +ATOM 5638 H2 WAT 1523 63.110 3.525 43.015 1.00 0.00 H +TER +ATOM 5639 O WAT 1524 54.987 3.484 44.613 1.00 0.00 O +ATOM 5640 H1 WAT 1524 55.668 3.748 45.231 1.00 0.00 H +ATOM 5641 H2 WAT 1524 54.672 2.644 44.947 1.00 0.00 H +TER +ATOM 5642 O WAT 1525 59.180 4.531 43.700 1.00 0.00 O +ATOM 5643 H1 WAT 1525 59.688 5.029 44.341 1.00 0.00 H +ATOM 5644 H2 WAT 1525 59.711 3.754 43.524 1.00 0.00 H +TER +ATOM 5645 O WAT 1526 63.850 9.283 39.465 1.00 0.00 O +ATOM 5646 H1 WAT 1526 63.232 9.748 38.902 1.00 0.00 H +ATOM 5647 H2 WAT 1526 64.363 9.975 39.882 1.00 0.00 H +TER +ATOM 5648 O WAT 1527 58.714 8.810 46.144 1.00 0.00 O +ATOM 5649 H1 WAT 1527 58.381 9.437 46.786 1.00 0.00 H +ATOM 5650 H2 WAT 1527 58.890 9.336 45.364 1.00 0.00 H +TER +ATOM 5651 O WAT 1528 57.926 10.778 47.959 1.00 0.00 O +ATOM 5652 H1 WAT 1528 58.543 11.453 47.677 1.00 0.00 H +ATOM 5653 H2 WAT 1528 57.065 11.187 47.867 1.00 0.00 H +TER +ATOM 5654 O WAT 1529 53.219 9.968 36.839 1.00 0.00 O +ATOM 5655 H1 WAT 1529 52.842 10.457 36.108 1.00 0.00 H +ATOM 5656 H2 WAT 1529 53.476 10.641 37.470 1.00 0.00 H +TER +ATOM 5657 O WAT 1530 63.216 6.435 39.034 1.00 0.00 O +ATOM 5658 H1 WAT 1530 62.289 6.368 39.263 1.00 0.00 H +ATOM 5659 H2 WAT 1530 63.368 7.373 38.919 1.00 0.00 H +TER +ATOM 5660 O WAT 1531 63.203 2.706 36.031 1.00 0.00 O +ATOM 5661 H1 WAT 1531 62.263 2.868 36.116 1.00 0.00 H +ATOM 5662 H2 WAT 1531 63.521 3.425 35.484 1.00 0.00 H +TER +ATOM 5663 O WAT 1532 58.821 6.961 41.816 1.00 0.00 O +ATOM 5664 H1 WAT 1532 58.417 6.249 41.320 1.00 0.00 H +ATOM 5665 H2 WAT 1532 58.908 6.617 42.705 1.00 0.00 H +TER +ATOM 5666 O WAT 1533 59.290 10.648 43.980 1.00 0.00 O +ATOM 5667 H1 WAT 1533 58.992 10.043 43.301 1.00 0.00 H +ATOM 5668 H2 WAT 1533 60.240 10.686 43.869 1.00 0.00 H +TER +ATOM 5669 O WAT 1534 57.534 3.736 45.596 1.00 0.00 O +ATOM 5670 H1 WAT 1534 58.086 3.845 44.821 1.00 0.00 H +ATOM 5671 H2 WAT 1534 58.049 4.109 46.311 1.00 0.00 H +TER +ATOM 5672 O WAT 1535 58.381 10.386 50.631 1.00 0.00 O +ATOM 5673 H1 WAT 1535 57.484 10.610 50.878 1.00 0.00 H +ATOM 5674 H2 WAT 1535 58.407 10.510 49.682 1.00 0.00 H +TER +ATOM 5675 O WAT 1536 57.209 7.257 49.206 1.00 0.00 O +ATOM 5676 H1 WAT 1536 57.069 8.130 49.575 1.00 0.00 H +ATOM 5677 H2 WAT 1536 56.327 6.915 49.061 1.00 0.00 H +TER +ATOM 5678 O WAT 1537 63.531 12.175 40.513 1.00 0.00 O +ATOM 5679 H1 WAT 1537 63.971 12.918 40.098 1.00 0.00 H +ATOM 5680 H2 WAT 1537 63.470 12.418 41.437 1.00 0.00 H +TER +ATOM 5681 O WAT 1538 59.007 13.200 51.415 1.00 0.00 O +ATOM 5682 H1 WAT 1538 58.978 13.604 50.548 1.00 0.00 H +ATOM 5683 H2 WAT 1538 58.843 12.271 51.252 1.00 0.00 H +TER +ATOM 5684 O WAT 1539 55.522 5.856 39.317 1.00 0.00 O +ATOM 5685 H1 WAT 1539 55.402 6.582 38.705 1.00 0.00 H +ATOM 5686 H2 WAT 1539 55.212 5.086 38.839 1.00 0.00 H +TER +ATOM 5687 O WAT 1540 53.160 9.027 45.123 1.00 0.00 O +ATOM 5688 H1 WAT 1540 53.238 9.162 44.179 1.00 0.00 H +ATOM 5689 H2 WAT 1540 53.775 8.319 45.316 1.00 0.00 H +TER +ATOM 5690 O WAT 1541 54.405 10.727 41.534 1.00 0.00 O +ATOM 5691 H1 WAT 1541 53.998 10.869 40.679 1.00 0.00 H +ATOM 5692 H2 WAT 1541 55.296 10.443 41.331 1.00 0.00 H +TER +ATOM 5693 O WAT 1542 64.223 14.876 48.441 1.00 0.00 O +ATOM 5694 H1 WAT 1542 64.738 14.787 49.243 1.00 0.00 H +ATOM 5695 H2 WAT 1542 63.380 15.222 48.733 1.00 0.00 H +TER +ATOM 5696 O WAT 1543 58.677 14.942 39.646 1.00 0.00 O +ATOM 5697 H1 WAT 1543 58.502 14.025 39.433 1.00 0.00 H +ATOM 5698 H2 WAT 1543 57.823 15.301 39.886 1.00 0.00 H +TER +ATOM 5699 O WAT 1544 53.216 10.069 47.663 1.00 0.00 O +ATOM 5700 H1 WAT 1544 53.379 9.599 46.845 1.00 0.00 H +ATOM 5701 H2 WAT 1544 53.682 9.561 48.328 1.00 0.00 H +TER +ATOM 5702 O WAT 1545 64.371 4.787 51.532 1.00 0.00 O +ATOM 5703 H1 WAT 1545 64.696 3.954 51.192 1.00 0.00 H +ATOM 5704 H2 WAT 1545 65.159 5.310 51.680 1.00 0.00 H +TER +ATOM 5705 O WAT 1546 57.780 4.323 40.427 1.00 0.00 O +ATOM 5706 H1 WAT 1546 57.554 4.106 41.332 1.00 0.00 H +ATOM 5707 H2 WAT 1546 56.999 4.755 40.082 1.00 0.00 H +TER +ATOM 5708 O WAT 1547 65.009 4.329 39.026 1.00 0.00 O +ATOM 5709 H1 WAT 1547 64.410 5.053 38.842 1.00 0.00 H +ATOM 5710 H2 WAT 1547 65.557 4.267 38.244 1.00 0.00 H +TER +ATOM 5711 O WAT 1548 60.220 5.221 51.093 1.00 0.00 O +ATOM 5712 H1 WAT 1548 60.124 4.281 50.943 1.00 0.00 H +ATOM 5713 H2 WAT 1548 61.063 5.443 50.698 1.00 0.00 H +TER +ATOM 5714 O WAT 1549 63.616 2.965 41.056 1.00 0.00 O +ATOM 5715 H1 WAT 1549 64.009 3.283 40.243 1.00 0.00 H +ATOM 5716 H2 WAT 1549 63.978 2.086 41.171 1.00 0.00 H +TER +ATOM 5717 O WAT 1550 52.839 3.497 34.490 1.00 0.00 O +ATOM 5718 H1 WAT 1550 52.757 4.440 34.631 1.00 0.00 H +ATOM 5719 H2 WAT 1550 52.488 3.355 33.611 1.00 0.00 H +TER +ATOM 5720 O WAT 1551 64.201 5.556 45.151 1.00 0.00 O +ATOM 5721 H1 WAT 1551 63.470 6.065 45.500 1.00 0.00 H +ATOM 5722 H2 WAT 1551 63.804 4.739 44.850 1.00 0.00 H +TER +ATOM 5723 O WAT 1552 60.701 3.232 36.547 1.00 0.00 O +ATOM 5724 H1 WAT 1552 60.822 3.191 37.496 1.00 0.00 H +ATOM 5725 H2 WAT 1552 60.316 4.095 36.392 1.00 0.00 H +TER +ATOM 5726 O WAT 1553 59.713 5.543 35.946 1.00 0.00 O +ATOM 5727 H1 WAT 1553 59.145 5.094 35.319 1.00 0.00 H +ATOM 5728 H2 WAT 1553 60.422 5.902 35.412 1.00 0.00 H +TER +ATOM 5729 O WAT 1554 54.790 9.444 49.822 1.00 0.00 O +ATOM 5730 H1 WAT 1554 54.406 8.803 50.421 1.00 0.00 H +ATOM 5731 H2 WAT 1554 55.101 10.147 50.392 1.00 0.00 H +TER +ATOM 5732 O WAT 1555 60.940 6.291 45.303 1.00 0.00 O +ATOM 5733 H1 WAT 1555 61.307 5.817 46.049 1.00 0.00 H +ATOM 5734 H2 WAT 1555 60.750 7.166 45.644 1.00 0.00 H +TER +ATOM 5735 O WAT 1556 58.730 5.332 47.622 1.00 0.00 O +ATOM 5736 H1 WAT 1556 58.426 6.212 47.847 1.00 0.00 H +ATOM 5737 H2 WAT 1556 59.685 5.392 47.657 1.00 0.00 H +TER +ATOM 5738 O WAT 1557 57.258 9.538 38.218 1.00 0.00 O +ATOM 5739 H1 WAT 1557 56.484 8.998 38.058 1.00 0.00 H +ATOM 5740 H2 WAT 1557 57.988 9.019 37.880 1.00 0.00 H +TER +ATOM 5741 O WAT 1558 63.399 8.606 49.898 1.00 0.00 O +ATOM 5742 H1 WAT 1558 63.332 7.685 49.644 1.00 0.00 H +ATOM 5743 H2 WAT 1558 62.769 8.703 50.612 1.00 0.00 H +TER +ATOM 5744 O WAT 1559 57.302 9.206 41.856 1.00 0.00 O +ATOM 5745 H1 WAT 1559 57.820 8.403 41.802 1.00 0.00 H +ATOM 5746 H2 WAT 1559 56.850 9.144 42.698 1.00 0.00 H +TER +ATOM 5747 O WAT 1560 62.189 10.473 37.129 1.00 0.00 O +ATOM 5748 H1 WAT 1560 62.530 11.217 36.633 1.00 0.00 H +ATOM 5749 H2 WAT 1560 61.360 10.786 37.491 1.00 0.00 H +TER +ATOM 5750 O WAT 1561 54.786 6.173 48.769 1.00 0.00 O +ATOM 5751 H1 WAT 1561 54.428 6.838 49.356 1.00 0.00 H +ATOM 5752 H2 WAT 1561 54.492 5.341 49.140 1.00 0.00 H +TER +ATOM 5753 O WAT 1562 57.988 6.631 51.653 1.00 0.00 O +ATOM 5754 H1 WAT 1562 57.688 6.777 50.756 1.00 0.00 H +ATOM 5755 H2 WAT 1562 58.759 6.072 51.560 1.00 0.00 H +TER +ATOM 5756 O WAT 1563 63.330 11.428 49.648 1.00 0.00 O +ATOM 5757 H1 WAT 1563 63.345 10.496 49.430 1.00 0.00 H +ATOM 5758 H2 WAT 1563 62.623 11.514 50.287 1.00 0.00 H +TER +ATOM 5759 O WAT 1564 65.072 9.795 42.494 1.00 0.00 O +ATOM 5760 H1 WAT 1564 65.424 9.197 41.834 1.00 0.00 H +ATOM 5761 H2 WAT 1564 64.188 9.469 42.664 1.00 0.00 H +TER +ATOM 5762 O WAT 1565 61.158 10.554 39.901 1.00 0.00 O +ATOM 5763 H1 WAT 1565 61.845 11.101 40.281 1.00 0.00 H +ATOM 5764 H2 WAT 1565 60.371 11.099 39.936 1.00 0.00 H +TER +ATOM 5765 O WAT 1566 53.297 6.172 35.392 1.00 0.00 O +ATOM 5766 H1 WAT 1566 54.167 6.454 35.676 1.00 0.00 H +ATOM 5767 H2 WAT 1566 52.806 6.985 35.277 1.00 0.00 H +TER +ATOM 5768 O WAT 1567 60.461 7.559 39.513 1.00 0.00 O +ATOM 5769 H1 WAT 1567 60.917 8.370 39.739 1.00 0.00 H +ATOM 5770 H2 WAT 1567 60.109 7.241 40.345 1.00 0.00 H +TER +ATOM 5771 O WAT 1568 62.764 13.070 46.742 1.00 0.00 O +ATOM 5772 H1 WAT 1568 63.408 13.276 47.420 1.00 0.00 H +ATOM 5773 H2 WAT 1568 63.127 12.309 46.289 1.00 0.00 H +TER +ATOM 5774 O WAT 1569 64.037 11.073 45.460 1.00 0.00 O +ATOM 5775 H1 WAT 1569 64.679 10.372 45.573 1.00 0.00 H +ATOM 5776 H2 WAT 1569 64.562 11.853 45.280 1.00 0.00 H +TER +ATOM 5777 O WAT 1570 53.664 15.384 35.958 1.00 0.00 O +ATOM 5778 H1 WAT 1570 54.024 15.983 35.304 1.00 0.00 H +ATOM 5779 H2 WAT 1570 53.523 15.930 36.732 1.00 0.00 H +TER +ATOM 5780 O WAT 1571 53.648 13.650 50.433 1.00 0.00 O +ATOM 5781 H1 WAT 1571 53.758 12.709 50.292 1.00 0.00 H +ATOM 5782 H2 WAT 1571 52.996 13.915 49.784 1.00 0.00 H +TER +ATOM 5783 O WAT 1572 61.640 11.922 51.832 1.00 0.00 O +ATOM 5784 H1 WAT 1572 61.319 11.202 52.377 1.00 0.00 H +ATOM 5785 H2 WAT 1572 60.965 12.597 51.906 1.00 0.00 H +TER +ATOM 5786 O WAT 1573 59.681 12.768 36.776 1.00 0.00 O +ATOM 5787 H1 WAT 1573 59.672 13.501 36.160 1.00 0.00 H +ATOM 5788 H2 WAT 1573 58.761 12.521 36.869 1.00 0.00 H +TER +ATOM 5789 O WAT 1574 55.282 7.989 37.520 1.00 0.00 O +ATOM 5790 H1 WAT 1574 54.675 8.729 37.530 1.00 0.00 H +ATOM 5791 H2 WAT 1574 55.757 8.079 36.694 1.00 0.00 H +TER +ATOM 5792 O WAT 1575 62.667 12.830 35.438 1.00 0.00 O +ATOM 5793 H1 WAT 1575 62.768 12.627 34.509 1.00 0.00 H +ATOM 5794 H2 WAT 1575 61.767 12.576 35.643 1.00 0.00 H +TER +ATOM 5795 O WAT 1576 60.190 3.388 39.421 1.00 0.00 O +ATOM 5796 H1 WAT 1576 59.481 3.857 39.862 1.00 0.00 H +ATOM 5797 H2 WAT 1576 60.474 2.731 40.055 1.00 0.00 H +TER +ATOM 5798 O WAT 1577 61.815 4.808 47.420 1.00 0.00 O +ATOM 5799 H1 WAT 1577 62.314 5.283 48.085 1.00 0.00 H +ATOM 5800 H2 WAT 1577 61.958 3.884 47.627 1.00 0.00 H +TER +ATOM 5801 O WAT 1578 61.309 15.349 40.133 1.00 0.00 O +ATOM 5802 H1 WAT 1578 61.563 15.311 39.211 1.00 0.00 H +ATOM 5803 H2 WAT 1578 60.360 15.222 40.126 1.00 0.00 H +TER +ATOM 5804 O WAT 1579 57.292 7.950 35.269 1.00 0.00 O +ATOM 5805 H1 WAT 1579 58.059 7.838 35.832 1.00 0.00 H +ATOM 5806 H2 WAT 1579 57.370 7.254 34.617 1.00 0.00 H +TER +ATOM 5807 O WAT 1580 55.987 5.383 35.953 1.00 0.00 O +ATOM 5808 H1 WAT 1580 56.067 4.435 36.064 1.00 0.00 H +ATOM 5809 H2 WAT 1580 56.879 5.713 36.059 1.00 0.00 H +TER +ATOM 5810 O WAT 1581 56.788 15.532 43.056 1.00 0.00 O +ATOM 5811 H1 WAT 1581 57.525 14.984 43.327 1.00 0.00 H +ATOM 5812 H2 WAT 1581 57.173 16.398 42.917 1.00 0.00 H +TER +ATOM 5813 O WAT 1582 53.673 11.600 38.930 1.00 0.00 O +ATOM 5814 H1 WAT 1582 52.747 11.842 38.921 1.00 0.00 H +ATOM 5815 H2 WAT 1582 54.139 12.427 38.809 1.00 0.00 H +TER +ATOM 5816 O WAT 1583 55.794 14.717 52.245 1.00 0.00 O +ATOM 5817 H1 WAT 1583 56.596 15.038 52.658 1.00 0.00 H +ATOM 5818 H2 WAT 1583 55.279 14.356 52.967 1.00 0.00 H +TER +ATOM 5819 O WAT 1584 59.899 14.705 34.879 1.00 0.00 O +ATOM 5820 H1 WAT 1584 60.692 14.994 34.427 1.00 0.00 H +ATOM 5821 H2 WAT 1584 59.379 14.274 34.200 1.00 0.00 H +TER +ATOM 5822 O WAT 1585 64.631 10.825 52.192 1.00 0.00 O +ATOM 5823 H1 WAT 1585 64.025 10.848 51.452 1.00 0.00 H +ATOM 5824 H2 WAT 1585 64.326 10.093 52.729 1.00 0.00 H +TER +ATOM 5825 O WAT 1586 53.514 7.204 51.188 1.00 0.00 O +ATOM 5826 H1 WAT 1586 54.018 6.625 51.760 1.00 0.00 H +ATOM 5827 H2 WAT 1586 52.775 7.488 51.726 1.00 0.00 H +TER +ATOM 5828 O WAT 1587 60.416 9.926 34.743 1.00 0.00 O +ATOM 5829 H1 WAT 1587 60.311 9.311 35.469 1.00 0.00 H +ATOM 5830 H2 WAT 1587 60.249 9.402 33.959 1.00 0.00 H +TER +ATOM 5831 O WAT 1588 60.568 8.611 50.722 1.00 0.00 O +ATOM 5832 H1 WAT 1588 59.802 9.180 50.637 1.00 0.00 H +ATOM 5833 H2 WAT 1588 60.749 8.319 49.829 1.00 0.00 H +TER +ATOM 5834 O WAT 1589 63.657 8.988 35.347 1.00 0.00 O +ATOM 5835 H1 WAT 1589 63.108 9.435 35.991 1.00 0.00 H +ATOM 5836 H2 WAT 1589 64.279 8.483 35.871 1.00 0.00 H +TER +ATOM 5837 O WAT 1590 55.546 5.347 52.083 1.00 0.00 O +ATOM 5838 H1 WAT 1590 55.587 5.049 52.992 1.00 0.00 H +ATOM 5839 H2 WAT 1590 56.401 5.748 51.924 1.00 0.00 H +TER +ATOM 5840 O WAT 1591 59.324 7.947 37.244 1.00 0.00 O +ATOM 5841 H1 WAT 1591 59.746 7.781 38.087 1.00 0.00 H +ATOM 5842 H2 WAT 1591 59.449 7.137 36.749 1.00 0.00 H +TER +ATOM 5843 O WAT 1592 57.487 3.926 50.051 1.00 0.00 O +ATOM 5844 H1 WAT 1592 56.957 3.435 49.423 1.00 0.00 H +ATOM 5845 H2 WAT 1592 58.156 4.355 49.516 1.00 0.00 H +TER +ATOM 5846 O WAT 1593 61.837 6.970 34.491 1.00 0.00 O +ATOM 5847 H1 WAT 1593 62.358 6.255 34.125 1.00 0.00 H +ATOM 5848 H2 WAT 1593 62.484 7.609 34.791 1.00 0.00 H +TER +ATOM 5849 O WAT 1594 61.146 8.345 47.784 1.00 0.00 O +ATOM 5850 H1 WAT 1594 61.565 9.189 47.612 1.00 0.00 H +ATOM 5851 H2 WAT 1594 60.227 8.483 47.555 1.00 0.00 H +TER +ATOM 5852 O WAT 1595 63.483 6.077 49.168 1.00 0.00 O +ATOM 5853 H1 WAT 1595 63.602 5.481 49.908 1.00 0.00 H +ATOM 5854 H2 WAT 1595 64.342 6.114 48.748 1.00 0.00 H +TER +ATOM 5855 O WAT 1596 58.220 4.020 34.189 1.00 0.00 O +ATOM 5856 H1 WAT 1596 58.019 3.157 34.551 1.00 0.00 H +ATOM 5857 H2 WAT 1596 58.049 3.933 33.252 1.00 0.00 H +TER +ATOM 5858 O WAT 1597 58.997 14.651 48.900 1.00 0.00 O +ATOM 5859 H1 WAT 1597 58.459 15.375 48.581 1.00 0.00 H +ATOM 5860 H2 WAT 1597 59.250 14.174 48.110 1.00 0.00 H +TER +ATOM 5861 O WAT 1598 60.250 2.619 50.426 1.00 0.00 O +ATOM 5862 H1 WAT 1598 60.839 2.311 51.114 1.00 0.00 H +ATOM 5863 H2 WAT 1598 59.432 2.147 50.582 1.00 0.00 H +TER +ATOM 5864 O WAT 1599 61.853 15.886 49.159 1.00 0.00 O +ATOM 5865 H1 WAT 1599 61.779 16.789 49.466 1.00 0.00 H +ATOM 5866 H2 WAT 1599 60.951 15.567 49.131 1.00 0.00 H +TER +ATOM 5867 O WAT 1600 62.402 15.052 36.781 1.00 0.00 O +ATOM 5868 H1 WAT 1600 63.297 15.390 36.803 1.00 0.00 H +ATOM 5869 H2 WAT 1600 62.434 14.330 36.154 1.00 0.00 H +TER +ATOM 5870 O WAT 1601 56.041 10.424 35.010 1.00 0.00 O +ATOM 5871 H1 WAT 1601 56.479 10.967 35.666 1.00 0.00 H +ATOM 5872 H2 WAT 1601 56.526 9.599 35.020 1.00 0.00 H +TER +ATOM 5873 O WAT 1602 53.256 13.213 42.462 1.00 0.00 O +ATOM 5874 H1 WAT 1602 53.586 12.345 42.230 1.00 0.00 H +ATOM 5875 H2 WAT 1602 53.685 13.419 43.293 1.00 0.00 H +TER +ATOM 5876 O WAT 1603 57.852 11.544 40.122 1.00 0.00 O +ATOM 5877 H1 WAT 1603 57.552 11.421 41.023 1.00 0.00 H +ATOM 5878 H2 WAT 1603 57.746 10.685 39.714 1.00 0.00 H +TER +ATOM 5879 O WAT 1604 53.745 14.080 45.200 1.00 0.00 O +ATOM 5880 H1 WAT 1604 53.308 14.260 46.033 1.00 0.00 H +ATOM 5881 H2 WAT 1604 54.313 14.838 45.059 1.00 0.00 H +TER +ATOM 5882 O WAT 1605 53.577 6.592 41.559 1.00 0.00 O +ATOM 5883 H1 WAT 1605 52.922 6.323 40.915 1.00 0.00 H +ATOM 5884 H2 WAT 1605 54.415 6.483 41.109 1.00 0.00 H +TER +ATOM 5885 O WAT 1606 54.615 6.978 46.100 1.00 0.00 O +ATOM 5886 H1 WAT 1606 54.982 6.890 46.979 1.00 0.00 H +ATOM 5887 H2 WAT 1606 54.046 6.214 46.000 1.00 0.00 H +TER +ATOM 5888 O WAT 1607 54.167 3.888 50.005 1.00 0.00 O +ATOM 5889 H1 WAT 1607 53.272 3.855 50.345 1.00 0.00 H +ATOM 5890 H2 WAT 1607 54.706 4.087 50.771 1.00 0.00 H +TER +ATOM 5891 O WAT 1608 52.791 3.802 37.502 1.00 0.00 O +ATOM 5892 H1 WAT 1608 51.888 4.065 37.327 1.00 0.00 H +ATOM 5893 H2 WAT 1608 53.275 4.073 36.722 1.00 0.00 H +TER +ATOM 5894 O WAT 1609 55.334 2.859 35.411 1.00 0.00 O +ATOM 5895 H1 WAT 1609 56.043 2.437 34.926 1.00 0.00 H +ATOM 5896 H2 WAT 1609 54.618 2.926 34.780 1.00 0.00 H +TER +ATOM 5897 O WAT 1610 56.030 11.491 51.262 1.00 0.00 O +ATOM 5898 H1 WAT 1610 55.987 11.120 52.143 1.00 0.00 H +ATOM 5899 H2 WAT 1610 56.161 12.429 51.402 1.00 0.00 H +TER +ATOM 5900 O WAT 1611 59.731 13.047 46.863 1.00 0.00 O +ATOM 5901 H1 WAT 1611 59.490 13.314 45.976 1.00 0.00 H +ATOM 5902 H2 WAT 1611 60.671 13.217 46.918 1.00 0.00 H +TER +ATOM 5903 O WAT 1612 55.869 14.437 48.381 1.00 0.00 O +ATOM 5904 H1 WAT 1612 55.275 14.306 49.120 1.00 0.00 H +ATOM 5905 H2 WAT 1612 55.861 13.601 47.916 1.00 0.00 H +TER +ATOM 5906 O WAT 1613 55.500 11.803 47.332 1.00 0.00 O +ATOM 5907 H1 WAT 1613 54.774 11.183 47.265 1.00 0.00 H +ATOM 5908 H2 WAT 1613 55.561 12.197 46.462 1.00 0.00 H +TER +ATOM 5909 O WAT 1614 59.105 14.017 44.117 1.00 0.00 O +ATOM 5910 H1 WAT 1614 59.621 13.406 43.592 1.00 0.00 H +ATOM 5911 H2 WAT 1614 59.754 14.520 44.608 1.00 0.00 H +TER +ATOM 5912 O WAT 1615 61.844 14.908 44.944 1.00 0.00 O +ATOM 5913 H1 WAT 1615 62.132 14.654 44.067 1.00 0.00 H +ATOM 5914 H2 WAT 1615 62.357 14.356 45.535 1.00 0.00 H +TER +ATOM 5915 O WAT 1616 53.783 15.120 40.542 1.00 0.00 O +ATOM 5916 H1 WAT 1616 53.615 14.487 41.240 1.00 0.00 H +ATOM 5917 H2 WAT 1616 52.917 15.326 40.191 1.00 0.00 H +TER +ATOM 5918 O WAT 1617 55.389 13.814 37.987 1.00 0.00 O +ATOM 5919 H1 WAT 1617 54.864 14.194 37.283 1.00 0.00 H +ATOM 5920 H2 WAT 1617 55.314 14.439 38.708 1.00 0.00 H +TER +ATOM 5921 O WAT 1618 61.912 15.830 52.311 1.00 0.00 O +ATOM 5922 H1 WAT 1618 62.838 15.594 52.354 1.00 0.00 H +ATOM 5923 H2 WAT 1618 61.897 16.657 51.829 1.00 0.00 H +TER +ATOM 5924 O WAT 1619 57.989 15.762 36.862 1.00 0.00 O +ATOM 5925 H1 WAT 1619 58.721 15.478 36.314 1.00 0.00 H +ATOM 5926 H2 WAT 1619 58.248 15.523 37.752 1.00 0.00 H +TER +ATOM 5927 O WAT 1620 57.150 11.878 36.866 1.00 0.00 O +ATOM 5928 H1 WAT 1620 56.521 12.347 37.415 1.00 0.00 H +ATOM 5929 H2 WAT 1620 57.265 11.033 37.301 1.00 0.00 H +TER +ATOM 5930 O WAT 1621 64.605 5.929 23.017 1.00 0.00 O +ATOM 5931 H1 WAT 1621 64.525 5.014 22.746 1.00 0.00 H +ATOM 5932 H2 WAT 1621 64.192 6.426 22.311 1.00 0.00 H +TER +ATOM 5933 O WAT 1622 62.737 7.707 24.897 1.00 0.00 O +ATOM 5934 H1 WAT 1622 61.961 7.227 25.187 1.00 0.00 H +ATOM 5935 H2 WAT 1622 63.388 7.027 24.723 1.00 0.00 H +TER +ATOM 5936 O WAT 1623 56.754 8.019 25.775 1.00 0.00 O +ATOM 5937 H1 WAT 1623 55.922 7.764 26.175 1.00 0.00 H +ATOM 5938 H2 WAT 1623 57.362 8.090 26.511 1.00 0.00 H +TER +ATOM 5939 O WAT 1624 56.734 12.053 25.971 1.00 0.00 O +ATOM 5940 H1 WAT 1624 57.037 11.163 25.792 1.00 0.00 H +ATOM 5941 H2 WAT 1624 57.478 12.610 25.743 1.00 0.00 H +TER +ATOM 5942 O WAT 1625 55.163 2.979 19.559 1.00 0.00 O +ATOM 5943 H1 WAT 1625 54.274 3.321 19.457 1.00 0.00 H +ATOM 5944 H2 WAT 1625 55.447 2.779 18.667 1.00 0.00 H +TER +ATOM 5945 O WAT 1626 53.126 5.580 25.443 1.00 0.00 O +ATOM 5946 H1 WAT 1626 53.698 4.812 25.444 1.00 0.00 H +ATOM 5947 H2 WAT 1626 53.126 5.878 24.534 1.00 0.00 H +TER +ATOM 5948 O WAT 1627 62.984 14.399 23.298 1.00 0.00 O +ATOM 5949 H1 WAT 1627 62.365 14.854 22.727 1.00 0.00 H +ATOM 5950 H2 WAT 1627 63.839 14.554 22.897 1.00 0.00 H +TER +ATOM 5951 O WAT 1628 62.178 10.383 24.905 1.00 0.00 O +ATOM 5952 H1 WAT 1628 62.109 9.442 24.743 1.00 0.00 H +ATOM 5953 H2 WAT 1628 62.940 10.473 25.477 1.00 0.00 H +TER +ATOM 5954 O WAT 1629 63.208 3.190 25.131 1.00 0.00 O +ATOM 5955 H1 WAT 1629 63.585 2.317 25.019 1.00 0.00 H +ATOM 5956 H2 WAT 1629 63.110 3.525 24.240 1.00 0.00 H +TER +ATOM 5957 O WAT 1630 54.987 3.484 25.838 1.00 0.00 O +ATOM 5958 H1 WAT 1630 55.668 3.748 26.457 1.00 0.00 H +ATOM 5959 H2 WAT 1630 54.672 2.644 26.172 1.00 0.00 H +TER +ATOM 5960 O WAT 1631 59.180 4.531 24.926 1.00 0.00 O +ATOM 5961 H1 WAT 1631 59.688 5.029 25.566 1.00 0.00 H +ATOM 5962 H2 WAT 1631 59.711 3.754 24.750 1.00 0.00 H +TER +ATOM 5963 O WAT 1632 63.850 9.283 20.691 1.00 0.00 O +ATOM 5964 H1 WAT 1632 63.232 9.748 20.127 1.00 0.00 H +ATOM 5965 H2 WAT 1632 64.363 9.975 21.108 1.00 0.00 H +TER +ATOM 5966 O WAT 1633 58.714 8.810 27.369 1.00 0.00 O +ATOM 5967 H1 WAT 1633 58.381 9.437 28.011 1.00 0.00 H +ATOM 5968 H2 WAT 1633 58.890 9.336 26.590 1.00 0.00 H +TER +ATOM 5969 O WAT 1634 57.926 10.778 29.184 1.00 0.00 O +ATOM 5970 H1 WAT 1634 58.543 11.453 28.903 1.00 0.00 H +ATOM 5971 H2 WAT 1634 57.065 11.187 29.093 1.00 0.00 H +TER +ATOM 5972 O WAT 1635 53.219 9.968 18.065 1.00 0.00 O +ATOM 5973 H1 WAT 1635 52.842 10.457 17.333 1.00 0.00 H +ATOM 5974 H2 WAT 1635 53.476 10.641 18.696 1.00 0.00 H +TER +ATOM 5975 O WAT 1636 63.216 6.435 20.260 1.00 0.00 O +ATOM 5976 H1 WAT 1636 62.289 6.368 20.488 1.00 0.00 H +ATOM 5977 H2 WAT 1636 63.368 7.373 20.145 1.00 0.00 H +TER +ATOM 5978 O WAT 1637 63.203 2.706 17.256 1.00 0.00 O +ATOM 5979 H1 WAT 1637 62.263 2.868 17.341 1.00 0.00 H +ATOM 5980 H2 WAT 1637 63.521 3.425 16.710 1.00 0.00 H +TER +ATOM 5981 O WAT 1638 58.821 6.961 23.041 1.00 0.00 O +ATOM 5982 H1 WAT 1638 58.417 6.249 22.546 1.00 0.00 H +ATOM 5983 H2 WAT 1638 58.908 6.617 23.930 1.00 0.00 H +TER +ATOM 5984 O WAT 1639 59.290 10.648 25.205 1.00 0.00 O +ATOM 5985 H1 WAT 1639 58.992 10.043 24.526 1.00 0.00 H +ATOM 5986 H2 WAT 1639 60.240 10.686 25.094 1.00 0.00 H +TER +ATOM 5987 O WAT 1640 57.534 3.736 26.821 1.00 0.00 O +ATOM 5988 H1 WAT 1640 58.086 3.845 26.047 1.00 0.00 H +ATOM 5989 H2 WAT 1640 58.049 4.109 27.537 1.00 0.00 H +TER +ATOM 5990 O WAT 1641 58.381 10.386 31.856 1.00 0.00 O +ATOM 5991 H1 WAT 1641 57.484 10.610 32.104 1.00 0.00 H +ATOM 5992 H2 WAT 1641 58.407 10.510 30.907 1.00 0.00 H +TER +ATOM 5993 O WAT 1642 57.209 7.257 30.432 1.00 0.00 O +ATOM 5994 H1 WAT 1642 57.069 8.130 30.801 1.00 0.00 H +ATOM 5995 H2 WAT 1642 56.327 6.915 30.287 1.00 0.00 H +TER +ATOM 5996 O WAT 1643 63.531 12.175 21.738 1.00 0.00 O +ATOM 5997 H1 WAT 1643 63.971 12.918 21.324 1.00 0.00 H +ATOM 5998 H2 WAT 1643 63.470 12.418 22.662 1.00 0.00 H +TER +ATOM 5999 O WAT 1644 59.007 13.200 32.640 1.00 0.00 O +ATOM 6000 H1 WAT 1644 58.978 13.604 31.773 1.00 0.00 H +ATOM 6001 H2 WAT 1644 58.843 12.271 32.478 1.00 0.00 H +TER +ATOM 6002 O WAT 1645 55.522 5.856 20.542 1.00 0.00 O +ATOM 6003 H1 WAT 1645 55.402 6.582 19.930 1.00 0.00 H +ATOM 6004 H2 WAT 1645 55.212 5.086 20.065 1.00 0.00 H +TER +ATOM 6005 O WAT 1646 53.160 9.027 26.349 1.00 0.00 O +ATOM 6006 H1 WAT 1646 53.238 9.162 25.405 1.00 0.00 H +ATOM 6007 H2 WAT 1646 53.775 8.319 26.542 1.00 0.00 H +TER +ATOM 6008 O WAT 1647 54.405 10.727 22.760 1.00 0.00 O +ATOM 6009 H1 WAT 1647 53.998 10.869 21.905 1.00 0.00 H +ATOM 6010 H2 WAT 1647 55.296 10.443 22.557 1.00 0.00 H +TER +ATOM 6011 O WAT 1648 64.223 14.876 29.666 1.00 0.00 O +ATOM 6012 H1 WAT 1648 64.738 14.787 30.469 1.00 0.00 H +ATOM 6013 H2 WAT 1648 63.380 15.222 29.959 1.00 0.00 H +TER +ATOM 6014 O WAT 1649 58.677 14.942 20.872 1.00 0.00 O +ATOM 6015 H1 WAT 1649 58.502 14.025 20.659 1.00 0.00 H +ATOM 6016 H2 WAT 1649 57.823 15.301 21.112 1.00 0.00 H +TER +ATOM 6017 O WAT 1650 53.216 10.069 28.888 1.00 0.00 O +ATOM 6018 H1 WAT 1650 53.379 9.599 28.070 1.00 0.00 H +ATOM 6019 H2 WAT 1650 53.682 9.561 29.553 1.00 0.00 H +TER +ATOM 6020 O WAT 1651 64.371 4.787 32.758 1.00 0.00 O +ATOM 6021 H1 WAT 1651 64.696 3.954 32.418 1.00 0.00 H +ATOM 6022 H2 WAT 1651 65.159 5.310 32.905 1.00 0.00 H +TER +ATOM 6023 O WAT 1652 57.780 4.323 21.653 1.00 0.00 O +ATOM 6024 H1 WAT 1652 57.554 4.106 22.557 1.00 0.00 H +ATOM 6025 H2 WAT 1652 56.999 4.755 21.307 1.00 0.00 H +TER +ATOM 6026 O WAT 1653 65.009 4.329 20.252 1.00 0.00 O +ATOM 6027 H1 WAT 1653 64.410 5.053 20.068 1.00 0.00 H +ATOM 6028 H2 WAT 1653 65.557 4.267 19.469 1.00 0.00 H +TER +ATOM 6029 O WAT 1654 60.220 5.221 32.319 1.00 0.00 O +ATOM 6030 H1 WAT 1654 60.124 4.281 32.169 1.00 0.00 H +ATOM 6031 H2 WAT 1654 61.063 5.443 31.923 1.00 0.00 H +TER +ATOM 6032 O WAT 1655 63.616 2.965 22.282 1.00 0.00 O +ATOM 6033 H1 WAT 1655 64.009 3.283 21.469 1.00 0.00 H +ATOM 6034 H2 WAT 1655 63.978 2.086 22.396 1.00 0.00 H +TER +ATOM 6035 O WAT 1656 52.839 3.497 15.715 1.00 0.00 O +ATOM 6036 H1 WAT 1656 52.757 4.440 15.857 1.00 0.00 H +ATOM 6037 H2 WAT 1656 52.488 3.355 14.837 1.00 0.00 H +TER +ATOM 6038 O WAT 1657 64.201 5.556 26.377 1.00 0.00 O +ATOM 6039 H1 WAT 1657 63.470 6.065 26.726 1.00 0.00 H +ATOM 6040 H2 WAT 1657 63.804 4.739 26.076 1.00 0.00 H +TER +ATOM 6041 O WAT 1658 60.701 3.232 17.773 1.00 0.00 O +ATOM 6042 H1 WAT 1658 60.822 3.191 18.722 1.00 0.00 H +ATOM 6043 H2 WAT 1658 60.316 4.095 17.618 1.00 0.00 H +TER +ATOM 6044 O WAT 1659 59.713 5.543 17.171 1.00 0.00 O +ATOM 6045 H1 WAT 1659 59.145 5.094 16.545 1.00 0.00 H +ATOM 6046 H2 WAT 1659 60.422 5.902 16.638 1.00 0.00 H +TER +ATOM 6047 O WAT 1660 54.790 9.444 31.048 1.00 0.00 O +ATOM 6048 H1 WAT 1660 54.406 8.803 31.646 1.00 0.00 H +ATOM 6049 H2 WAT 1660 55.101 10.147 31.618 1.00 0.00 H +TER +ATOM 6050 O WAT 1661 60.940 6.291 26.529 1.00 0.00 O +ATOM 6051 H1 WAT 1661 61.307 5.817 27.275 1.00 0.00 H +ATOM 6052 H2 WAT 1661 60.750 7.166 26.870 1.00 0.00 H +TER +ATOM 6053 O WAT 1662 58.730 5.332 28.847 1.00 0.00 O +ATOM 6054 H1 WAT 1662 58.426 6.212 29.072 1.00 0.00 H +ATOM 6055 H2 WAT 1662 59.685 5.392 28.883 1.00 0.00 H +TER +ATOM 6056 O WAT 1663 57.258 9.538 19.444 1.00 0.00 O +ATOM 6057 H1 WAT 1663 56.484 8.998 19.284 1.00 0.00 H +ATOM 6058 H2 WAT 1663 57.988 9.019 19.106 1.00 0.00 H +TER +ATOM 6059 O WAT 1664 63.399 8.606 31.124 1.00 0.00 O +ATOM 6060 H1 WAT 1664 63.332 7.685 30.869 1.00 0.00 H +ATOM 6061 H2 WAT 1664 62.769 8.703 31.838 1.00 0.00 H +TER +ATOM 6062 O WAT 1665 57.302 9.206 23.082 1.00 0.00 O +ATOM 6063 H1 WAT 1665 57.820 8.403 23.028 1.00 0.00 H +ATOM 6064 H2 WAT 1665 56.850 9.144 23.924 1.00 0.00 H +TER +ATOM 6065 O WAT 1666 62.189 10.473 18.355 1.00 0.00 O +ATOM 6066 H1 WAT 1666 62.530 11.217 17.859 1.00 0.00 H +ATOM 6067 H2 WAT 1666 61.360 10.786 18.717 1.00 0.00 H +TER +ATOM 6068 O WAT 1667 54.786 6.173 29.994 1.00 0.00 O +ATOM 6069 H1 WAT 1667 54.428 6.838 30.582 1.00 0.00 H +ATOM 6070 H2 WAT 1667 54.492 5.341 30.366 1.00 0.00 H +TER +ATOM 6071 O WAT 1668 57.988 6.631 32.878 1.00 0.00 O +ATOM 6072 H1 WAT 1668 57.688 6.777 31.981 1.00 0.00 H +ATOM 6073 H2 WAT 1668 58.759 6.072 32.786 1.00 0.00 H +TER +ATOM 6074 O WAT 1669 63.330 11.428 30.874 1.00 0.00 O +ATOM 6075 H1 WAT 1669 63.345 10.496 30.656 1.00 0.00 H +ATOM 6076 H2 WAT 1669 62.623 11.514 31.513 1.00 0.00 H +TER +ATOM 6077 O WAT 1670 65.072 9.795 23.719 1.00 0.00 O +ATOM 6078 H1 WAT 1670 65.424 9.197 23.059 1.00 0.00 H +ATOM 6079 H2 WAT 1670 64.188 9.469 23.890 1.00 0.00 H +TER +ATOM 6080 O WAT 1671 61.158 10.554 21.126 1.00 0.00 O +ATOM 6081 H1 WAT 1671 61.845 11.101 21.507 1.00 0.00 H +ATOM 6082 H2 WAT 1671 60.371 11.099 21.161 1.00 0.00 H +TER +ATOM 6083 O WAT 1672 53.297 6.172 16.618 1.00 0.00 O +ATOM 6084 H1 WAT 1672 54.167 6.454 16.902 1.00 0.00 H +ATOM 6085 H2 WAT 1672 52.806 6.985 16.503 1.00 0.00 H +TER +ATOM 6086 O WAT 1673 60.461 7.559 20.739 1.00 0.00 O +ATOM 6087 H1 WAT 1673 60.917 8.370 20.965 1.00 0.00 H +ATOM 6088 H2 WAT 1673 60.109 7.241 21.571 1.00 0.00 H +TER +ATOM 6089 O WAT 1674 62.764 13.070 27.968 1.00 0.00 O +ATOM 6090 H1 WAT 1674 63.408 13.276 28.645 1.00 0.00 H +ATOM 6091 H2 WAT 1674 63.127 12.309 27.515 1.00 0.00 H +TER +ATOM 6092 O WAT 1675 64.037 11.073 26.686 1.00 0.00 O +ATOM 6093 H1 WAT 1675 64.679 10.372 26.799 1.00 0.00 H +ATOM 6094 H2 WAT 1675 64.562 11.853 26.505 1.00 0.00 H +TER +ATOM 6095 O WAT 1676 53.664 15.384 17.184 1.00 0.00 O +ATOM 6096 H1 WAT 1676 54.024 15.983 16.530 1.00 0.00 H +ATOM 6097 H2 WAT 1676 53.523 15.930 17.958 1.00 0.00 H +TER +ATOM 6098 O WAT 1677 53.648 13.650 31.658 1.00 0.00 O +ATOM 6099 H1 WAT 1677 53.758 12.709 31.518 1.00 0.00 H +ATOM 6100 H2 WAT 1677 52.996 13.915 31.010 1.00 0.00 H +TER +ATOM 6101 O WAT 1678 61.640 11.922 33.058 1.00 0.00 O +ATOM 6102 H1 WAT 1678 61.319 11.202 33.603 1.00 0.00 H +ATOM 6103 H2 WAT 1678 60.965 12.597 33.132 1.00 0.00 H +TER +ATOM 6104 O WAT 1679 59.681 12.768 18.001 1.00 0.00 O +ATOM 6105 H1 WAT 1679 59.672 13.501 17.386 1.00 0.00 H +ATOM 6106 H2 WAT 1679 58.761 12.521 18.094 1.00 0.00 H +TER +ATOM 6107 O WAT 1680 55.282 7.989 18.746 1.00 0.00 O +ATOM 6108 H1 WAT 1680 54.675 8.729 18.756 1.00 0.00 H +ATOM 6109 H2 WAT 1680 55.757 8.079 17.920 1.00 0.00 H +TER +ATOM 6110 O WAT 1681 62.667 12.830 16.664 1.00 0.00 O +ATOM 6111 H1 WAT 1681 62.768 12.627 15.734 1.00 0.00 H +ATOM 6112 H2 WAT 1681 61.767 12.576 16.869 1.00 0.00 H +TER +ATOM 6113 O WAT 1682 60.190 3.388 20.646 1.00 0.00 O +ATOM 6114 H1 WAT 1682 59.481 3.857 21.088 1.00 0.00 H +ATOM 6115 H2 WAT 1682 60.474 2.731 21.281 1.00 0.00 H +TER +ATOM 6116 O WAT 1683 61.815 4.808 28.646 1.00 0.00 O +ATOM 6117 H1 WAT 1683 62.314 5.283 29.311 1.00 0.00 H +ATOM 6118 H2 WAT 1683 61.958 3.884 28.853 1.00 0.00 H +TER +ATOM 6119 O WAT 1684 61.309 15.349 21.359 1.00 0.00 O +ATOM 6120 H1 WAT 1684 61.563 15.311 20.437 1.00 0.00 H +ATOM 6121 H2 WAT 1684 60.360 15.222 21.352 1.00 0.00 H +TER +ATOM 6122 O WAT 1685 57.292 7.950 16.495 1.00 0.00 O +ATOM 6123 H1 WAT 1685 58.059 7.838 17.058 1.00 0.00 H +ATOM 6124 H2 WAT 1685 57.370 7.254 15.843 1.00 0.00 H +TER +ATOM 6125 O WAT 1686 55.987 5.383 17.178 1.00 0.00 O +ATOM 6126 H1 WAT 1686 56.067 4.435 17.290 1.00 0.00 H +ATOM 6127 H2 WAT 1686 56.879 5.713 17.284 1.00 0.00 H +TER +ATOM 6128 O WAT 1687 56.788 15.532 24.282 1.00 0.00 O +ATOM 6129 H1 WAT 1687 57.525 14.984 24.553 1.00 0.00 H +ATOM 6130 H2 WAT 1687 57.173 16.398 24.142 1.00 0.00 H +TER +ATOM 6131 O WAT 1688 53.673 11.600 20.156 1.00 0.00 O +ATOM 6132 H1 WAT 1688 52.747 11.842 20.146 1.00 0.00 H +ATOM 6133 H2 WAT 1688 54.139 12.427 20.034 1.00 0.00 H +TER +ATOM 6134 O WAT 1689 55.794 14.717 33.470 1.00 0.00 O +ATOM 6135 H1 WAT 1689 56.596 15.038 33.884 1.00 0.00 H +ATOM 6136 H2 WAT 1689 55.279 14.356 34.192 1.00 0.00 H +TER +ATOM 6137 O WAT 1690 59.899 14.705 16.104 1.00 0.00 O +ATOM 6138 H1 WAT 1690 60.692 14.994 15.652 1.00 0.00 H +ATOM 6139 H2 WAT 1690 59.379 14.274 15.426 1.00 0.00 H +TER +ATOM 6140 O WAT 1691 64.631 10.825 33.418 1.00 0.00 O +ATOM 6141 H1 WAT 1691 64.025 10.848 32.677 1.00 0.00 H +ATOM 6142 H2 WAT 1691 64.326 10.093 33.955 1.00 0.00 H +TER +ATOM 6143 O WAT 1692 53.514 7.204 32.414 1.00 0.00 O +ATOM 6144 H1 WAT 1692 54.018 6.625 32.986 1.00 0.00 H +ATOM 6145 H2 WAT 1692 52.775 7.488 32.952 1.00 0.00 H +TER +ATOM 6146 O WAT 1693 60.416 9.926 15.969 1.00 0.00 O +ATOM 6147 H1 WAT 1693 60.311 9.311 16.695 1.00 0.00 H +ATOM 6148 H2 WAT 1693 60.249 9.402 15.185 1.00 0.00 H +TER +ATOM 6149 O WAT 1694 60.568 8.611 31.947 1.00 0.00 O +ATOM 6150 H1 WAT 1694 59.802 9.180 31.863 1.00 0.00 H +ATOM 6151 H2 WAT 1694 60.749 8.319 31.054 1.00 0.00 H +TER +ATOM 6152 O WAT 1695 63.657 8.988 16.573 1.00 0.00 O +ATOM 6153 H1 WAT 1695 63.108 9.435 17.217 1.00 0.00 H +ATOM 6154 H2 WAT 1695 64.279 8.483 17.096 1.00 0.00 H +TER +ATOM 6155 O WAT 1696 55.546 5.347 33.309 1.00 0.00 O +ATOM 6156 H1 WAT 1696 55.587 5.049 34.217 1.00 0.00 H +ATOM 6157 H2 WAT 1696 56.401 5.748 33.150 1.00 0.00 H +TER +ATOM 6158 O WAT 1697 59.324 7.947 18.469 1.00 0.00 O +ATOM 6159 H1 WAT 1697 59.746 7.781 19.312 1.00 0.00 H +ATOM 6160 H2 WAT 1697 59.449 7.137 17.975 1.00 0.00 H +TER +ATOM 6161 O WAT 1698 57.487 3.926 31.276 1.00 0.00 O +ATOM 6162 H1 WAT 1698 56.957 3.435 30.649 1.00 0.00 H +ATOM 6163 H2 WAT 1698 58.156 4.355 30.742 1.00 0.00 H +TER +ATOM 6164 O WAT 1699 61.837 6.970 15.717 1.00 0.00 O +ATOM 6165 H1 WAT 1699 62.358 6.255 15.351 1.00 0.00 H +ATOM 6166 H2 WAT 1699 62.484 7.609 16.017 1.00 0.00 H +TER +ATOM 6167 O WAT 1700 61.146 8.345 29.010 1.00 0.00 O +ATOM 6168 H1 WAT 1700 61.565 9.189 28.838 1.00 0.00 H +ATOM 6169 H2 WAT 1700 60.227 8.483 28.781 1.00 0.00 H +TER +ATOM 6170 O WAT 1701 63.483 6.077 30.394 1.00 0.00 O +ATOM 6171 H1 WAT 1701 63.602 5.481 31.133 1.00 0.00 H +ATOM 6172 H2 WAT 1701 64.342 6.114 29.974 1.00 0.00 H +TER +ATOM 6173 O WAT 1702 58.220 4.020 15.415 1.00 0.00 O +ATOM 6174 H1 WAT 1702 58.019 3.157 15.776 1.00 0.00 H +ATOM 6175 H2 WAT 1702 58.049 3.933 14.477 1.00 0.00 H +TER +ATOM 6176 O WAT 1703 58.997 14.651 30.126 1.00 0.00 O +ATOM 6177 H1 WAT 1703 58.459 15.375 29.807 1.00 0.00 H +ATOM 6178 H2 WAT 1703 59.250 14.174 29.336 1.00 0.00 H +TER +ATOM 6179 O WAT 1704 60.250 2.619 31.651 1.00 0.00 O +ATOM 6180 H1 WAT 1704 60.839 2.311 32.339 1.00 0.00 H +ATOM 6181 H2 WAT 1704 59.432 2.147 31.807 1.00 0.00 H +TER +ATOM 6182 O WAT 1705 61.853 15.886 30.385 1.00 0.00 O +ATOM 6183 H1 WAT 1705 61.779 16.789 30.692 1.00 0.00 H +ATOM 6184 H2 WAT 1705 60.951 15.567 30.357 1.00 0.00 H +TER +ATOM 6185 O WAT 1706 62.402 15.052 18.007 1.00 0.00 O +ATOM 6186 H1 WAT 1706 63.297 15.390 18.029 1.00 0.00 H +ATOM 6187 H2 WAT 1706 62.434 14.330 17.380 1.00 0.00 H +TER +ATOM 6188 O WAT 1707 56.041 10.424 16.236 1.00 0.00 O +ATOM 6189 H1 WAT 1707 56.479 10.967 16.892 1.00 0.00 H +ATOM 6190 H2 WAT 1707 56.526 9.599 16.245 1.00 0.00 H +TER +ATOM 6191 O WAT 1708 53.256 13.213 23.688 1.00 0.00 O +ATOM 6192 H1 WAT 1708 53.586 12.345 23.456 1.00 0.00 H +ATOM 6193 H2 WAT 1708 53.685 13.419 24.518 1.00 0.00 H +TER +ATOM 6194 O WAT 1709 57.852 11.544 21.348 1.00 0.00 O +ATOM 6195 H1 WAT 1709 57.552 11.421 22.248 1.00 0.00 H +ATOM 6196 H2 WAT 1709 57.746 10.685 20.940 1.00 0.00 H +TER +ATOM 6197 O WAT 1710 53.745 14.080 26.426 1.00 0.00 O +ATOM 6198 H1 WAT 1710 53.308 14.260 27.258 1.00 0.00 H +ATOM 6199 H2 WAT 1710 54.313 14.838 26.284 1.00 0.00 H +TER +ATOM 6200 O WAT 1711 53.577 6.592 22.785 1.00 0.00 O +ATOM 6201 H1 WAT 1711 52.922 6.323 22.141 1.00 0.00 H +ATOM 6202 H2 WAT 1711 54.415 6.483 22.335 1.00 0.00 H +TER +ATOM 6203 O WAT 1712 54.615 6.978 27.325 1.00 0.00 O +ATOM 6204 H1 WAT 1712 54.982 6.890 28.205 1.00 0.00 H +ATOM 6205 H2 WAT 1712 54.046 6.214 27.226 1.00 0.00 H +TER +ATOM 6206 O WAT 1713 54.167 3.888 31.231 1.00 0.00 O +ATOM 6207 H1 WAT 1713 53.272 3.855 31.570 1.00 0.00 H +ATOM 6208 H2 WAT 1713 54.706 4.087 31.996 1.00 0.00 H +TER +ATOM 6209 O WAT 1714 52.791 3.802 18.727 1.00 0.00 O +ATOM 6210 H1 WAT 1714 51.888 4.065 18.553 1.00 0.00 H +ATOM 6211 H2 WAT 1714 53.275 4.073 17.947 1.00 0.00 H +TER +ATOM 6212 O WAT 1715 55.334 2.859 16.637 1.00 0.00 O +ATOM 6213 H1 WAT 1715 56.043 2.437 16.152 1.00 0.00 H +ATOM 6214 H2 WAT 1715 54.618 2.926 16.005 1.00 0.00 H +TER +ATOM 6215 O WAT 1716 56.030 11.491 32.487 1.00 0.00 O +ATOM 6216 H1 WAT 1716 55.987 11.120 33.369 1.00 0.00 H +ATOM 6217 H2 WAT 1716 56.161 12.429 32.627 1.00 0.00 H +TER +ATOM 6218 O WAT 1717 59.731 13.047 28.088 1.00 0.00 O +ATOM 6219 H1 WAT 1717 59.490 13.314 27.201 1.00 0.00 H +ATOM 6220 H2 WAT 1717 60.671 13.217 28.143 1.00 0.00 H +TER +ATOM 6221 O WAT 1718 55.869 14.437 29.607 1.00 0.00 O +ATOM 6222 H1 WAT 1718 55.275 14.306 30.346 1.00 0.00 H +ATOM 6223 H2 WAT 1718 55.861 13.601 29.141 1.00 0.00 H +TER +ATOM 6224 O WAT 1719 55.500 11.803 28.558 1.00 0.00 O +ATOM 6225 H1 WAT 1719 54.774 11.183 28.490 1.00 0.00 H +ATOM 6226 H2 WAT 1719 55.561 12.197 27.688 1.00 0.00 H +TER +ATOM 6227 O WAT 1720 59.105 14.017 25.343 1.00 0.00 O +ATOM 6228 H1 WAT 1720 59.621 13.406 24.818 1.00 0.00 H +ATOM 6229 H2 WAT 1720 59.754 14.520 25.834 1.00 0.00 H +TER +ATOM 6230 O WAT 1721 61.844 14.908 26.170 1.00 0.00 O +ATOM 6231 H1 WAT 1721 62.132 14.654 25.293 1.00 0.00 H +ATOM 6232 H2 WAT 1721 62.357 14.356 26.760 1.00 0.00 H +TER +ATOM 6233 O WAT 1722 53.783 15.120 21.768 1.00 0.00 O +ATOM 6234 H1 WAT 1722 53.615 14.487 22.466 1.00 0.00 H +ATOM 6235 H2 WAT 1722 52.917 15.326 21.417 1.00 0.00 H +TER +ATOM 6236 O WAT 1723 55.389 13.814 19.213 1.00 0.00 O +ATOM 6237 H1 WAT 1723 54.864 14.194 18.509 1.00 0.00 H +ATOM 6238 H2 WAT 1723 55.314 14.439 19.934 1.00 0.00 H +TER +ATOM 6239 O WAT 1724 61.912 15.830 33.537 1.00 0.00 O +ATOM 6240 H1 WAT 1724 62.838 15.594 33.580 1.00 0.00 H +ATOM 6241 H2 WAT 1724 61.897 16.657 33.055 1.00 0.00 H +TER +ATOM 6242 O WAT 1725 57.989 15.762 18.087 1.00 0.00 O +ATOM 6243 H1 WAT 1725 58.721 15.478 17.540 1.00 0.00 H +ATOM 6244 H2 WAT 1725 58.248 15.523 18.977 1.00 0.00 H +TER +ATOM 6245 O WAT 1726 57.150 11.878 18.092 1.00 0.00 O +ATOM 6246 H1 WAT 1726 56.521 12.347 18.641 1.00 0.00 H +ATOM 6247 H2 WAT 1726 57.265 11.033 18.527 1.00 0.00 H +TER +ATOM 6248 O WAT 1727 64.605 5.929 4.242 1.00 0.00 O +ATOM 6249 H1 WAT 1727 64.525 5.014 3.971 1.00 0.00 H +ATOM 6250 H2 WAT 1727 64.192 6.426 3.536 1.00 0.00 H +TER +ATOM 6251 O WAT 1728 62.737 7.707 6.123 1.00 0.00 O +ATOM 6252 H1 WAT 1728 61.961 7.227 6.413 1.00 0.00 H +ATOM 6253 H2 WAT 1728 63.388 7.027 5.949 1.00 0.00 H +TER +ATOM 6254 O WAT 1729 56.754 8.019 7.001 1.00 0.00 O +ATOM 6255 H1 WAT 1729 55.922 7.764 7.400 1.00 0.00 H +ATOM 6256 H2 WAT 1729 57.362 8.090 7.737 1.00 0.00 H +TER +ATOM 6257 O WAT 1730 56.734 12.053 7.197 1.00 0.00 O +ATOM 6258 H1 WAT 1730 57.037 11.163 7.018 1.00 0.00 H +ATOM 6259 H2 WAT 1730 57.478 12.610 6.969 1.00 0.00 H +TER +ATOM 6260 O WAT 1731 53.126 5.580 6.669 1.00 0.00 O +ATOM 6261 H1 WAT 1731 53.698 4.812 6.669 1.00 0.00 H +ATOM 6262 H2 WAT 1731 53.126 5.878 5.760 1.00 0.00 H +TER +ATOM 6263 O WAT 1732 62.984 14.399 4.523 1.00 0.00 O +ATOM 6264 H1 WAT 1732 62.365 14.854 3.953 1.00 0.00 H +ATOM 6265 H2 WAT 1732 63.839 14.554 4.122 1.00 0.00 H +TER +ATOM 6266 O WAT 1733 62.178 10.383 6.130 1.00 0.00 O +ATOM 6267 H1 WAT 1733 62.109 9.442 5.969 1.00 0.00 H +ATOM 6268 H2 WAT 1733 62.940 10.473 6.702 1.00 0.00 H +TER +ATOM 6269 O WAT 1734 63.208 3.190 6.357 1.00 0.00 O +ATOM 6270 H1 WAT 1734 63.585 2.317 6.244 1.00 0.00 H +ATOM 6271 H2 WAT 1734 63.110 3.525 5.466 1.00 0.00 H +TER +ATOM 6272 O WAT 1735 54.987 3.484 7.064 1.00 0.00 O +ATOM 6273 H1 WAT 1735 55.668 3.748 7.683 1.00 0.00 H +ATOM 6274 H2 WAT 1735 54.672 2.644 7.398 1.00 0.00 H +TER +ATOM 6275 O WAT 1736 59.180 4.531 6.151 1.00 0.00 O +ATOM 6276 H1 WAT 1736 59.688 5.029 6.792 1.00 0.00 H +ATOM 6277 H2 WAT 1736 59.711 3.754 5.975 1.00 0.00 H +TER +ATOM 6278 O WAT 1737 58.714 8.810 8.595 1.00 0.00 O +ATOM 6279 H1 WAT 1737 58.381 9.437 9.237 1.00 0.00 H +ATOM 6280 H2 WAT 1737 58.890 9.336 7.815 1.00 0.00 H +TER +ATOM 6281 O WAT 1738 57.926 10.778 10.410 1.00 0.00 O +ATOM 6282 H1 WAT 1738 58.543 11.453 10.128 1.00 0.00 H +ATOM 6283 H2 WAT 1738 57.065 11.187 10.319 1.00 0.00 H +TER +ATOM 6284 O WAT 1739 58.821 6.961 4.267 1.00 0.00 O +ATOM 6285 H1 WAT 1739 58.417 6.249 3.772 1.00 0.00 H +ATOM 6286 H2 WAT 1739 58.908 6.617 5.156 1.00 0.00 H +TER +ATOM 6287 O WAT 1740 59.290 10.648 6.431 1.00 0.00 O +ATOM 6288 H1 WAT 1740 58.992 10.043 5.752 1.00 0.00 H +ATOM 6289 H2 WAT 1740 60.240 10.686 6.320 1.00 0.00 H +TER +ATOM 6290 O WAT 1741 57.534 3.736 8.047 1.00 0.00 O +ATOM 6291 H1 WAT 1741 58.086 3.845 7.272 1.00 0.00 H +ATOM 6292 H2 WAT 1741 58.049 4.109 8.763 1.00 0.00 H +TER +ATOM 6293 O WAT 1742 58.381 10.386 13.082 1.00 0.00 O +ATOM 6294 H1 WAT 1742 57.484 10.610 13.329 1.00 0.00 H +ATOM 6295 H2 WAT 1742 58.407 10.510 12.133 1.00 0.00 H +TER +ATOM 6296 O WAT 1743 57.209 7.257 11.658 1.00 0.00 O +ATOM 6297 H1 WAT 1743 57.069 8.130 12.026 1.00 0.00 H +ATOM 6298 H2 WAT 1743 56.327 6.915 11.512 1.00 0.00 H +TER +ATOM 6299 O WAT 1744 63.531 12.175 2.964 1.00 0.00 O +ATOM 6300 H1 WAT 1744 63.971 12.918 2.550 1.00 0.00 H +ATOM 6301 H2 WAT 1744 63.470 12.418 3.888 1.00 0.00 H +TER +ATOM 6302 O WAT 1745 59.007 13.200 13.866 1.00 0.00 O +ATOM 6303 H1 WAT 1745 58.978 13.604 12.999 1.00 0.00 H +ATOM 6304 H2 WAT 1745 58.843 12.271 13.703 1.00 0.00 H +TER +ATOM 6305 O WAT 1746 53.160 9.027 7.575 1.00 0.00 O +ATOM 6306 H1 WAT 1746 53.238 9.162 6.630 1.00 0.00 H +ATOM 6307 H2 WAT 1746 53.775 8.319 7.767 1.00 0.00 H +TER +ATOM 6308 O WAT 1747 54.405 10.727 3.985 1.00 0.00 O +ATOM 6309 H1 WAT 1747 53.998 10.869 3.131 1.00 0.00 H +ATOM 6310 H2 WAT 1747 55.296 10.443 3.782 1.00 0.00 H +TER +ATOM 6311 O WAT 1748 64.223 14.876 10.892 1.00 0.00 O +ATOM 6312 H1 WAT 1748 64.738 14.787 11.694 1.00 0.00 H +ATOM 6313 H2 WAT 1748 63.380 15.222 11.185 1.00 0.00 H +TER +ATOM 6314 O WAT 1749 53.216 10.069 10.114 1.00 0.00 O +ATOM 6315 H1 WAT 1749 53.379 9.599 9.296 1.00 0.00 H +ATOM 6316 H2 WAT 1749 53.682 9.561 10.779 1.00 0.00 H +TER +ATOM 6317 O WAT 1750 64.371 4.787 13.983 1.00 0.00 O +ATOM 6318 H1 WAT 1750 64.696 3.954 13.643 1.00 0.00 H +ATOM 6319 H2 WAT 1750 65.159 5.310 14.131 1.00 0.00 H +TER +ATOM 6320 O WAT 1751 57.780 4.323 2.878 1.00 0.00 O +ATOM 6321 H1 WAT 1751 57.554 4.106 3.783 1.00 0.00 H +ATOM 6322 H2 WAT 1751 56.999 4.755 2.533 1.00 0.00 H +TER +ATOM 6323 O WAT 1752 60.220 5.221 13.544 1.00 0.00 O +ATOM 6324 H1 WAT 1752 60.124 4.281 13.394 1.00 0.00 H +ATOM 6325 H2 WAT 1752 61.063 5.443 13.149 1.00 0.00 H +TER +ATOM 6326 O WAT 1753 63.616 2.965 3.508 1.00 0.00 O +ATOM 6327 H1 WAT 1753 64.009 3.283 2.695 1.00 0.00 H +ATOM 6328 H2 WAT 1753 63.978 2.086 3.622 1.00 0.00 H +TER +ATOM 6329 O WAT 1754 64.201 5.556 7.603 1.00 0.00 O +ATOM 6330 H1 WAT 1754 63.470 6.065 7.952 1.00 0.00 H +ATOM 6331 H2 WAT 1754 63.804 4.739 7.302 1.00 0.00 H +TER +ATOM 6332 O WAT 1755 54.790 9.444 12.274 1.00 0.00 O +ATOM 6333 H1 WAT 1755 54.406 8.803 12.872 1.00 0.00 H +ATOM 6334 H2 WAT 1755 55.101 10.147 12.843 1.00 0.00 H +TER +ATOM 6335 O WAT 1756 60.940 6.291 7.755 1.00 0.00 O +ATOM 6336 H1 WAT 1756 61.307 5.817 8.501 1.00 0.00 H +ATOM 6337 H2 WAT 1756 60.750 7.166 8.095 1.00 0.00 H +TER +ATOM 6338 O WAT 1757 58.730 5.332 10.073 1.00 0.00 O +ATOM 6339 H1 WAT 1757 58.426 6.212 10.298 1.00 0.00 H +ATOM 6340 H2 WAT 1757 59.685 5.392 10.109 1.00 0.00 H +TER +ATOM 6341 O WAT 1758 63.399 8.606 12.349 1.00 0.00 O +ATOM 6342 H1 WAT 1758 63.332 7.685 12.095 1.00 0.00 H +ATOM 6343 H2 WAT 1758 62.769 8.703 13.064 1.00 0.00 H +TER +ATOM 6344 O WAT 1759 57.302 9.206 4.308 1.00 0.00 O +ATOM 6345 H1 WAT 1759 57.820 8.403 4.253 1.00 0.00 H +ATOM 6346 H2 WAT 1759 56.850 9.144 5.149 1.00 0.00 H +TER +ATOM 6347 O WAT 1760 54.786 6.173 11.220 1.00 0.00 O +ATOM 6348 H1 WAT 1760 54.428 6.838 11.807 1.00 0.00 H +ATOM 6349 H2 WAT 1760 54.492 5.341 11.591 1.00 0.00 H +TER +ATOM 6350 O WAT 1761 57.988 6.631 14.104 1.00 0.00 O +ATOM 6351 H1 WAT 1761 57.688 6.777 13.207 1.00 0.00 H +ATOM 6352 H2 WAT 1761 58.759 6.072 14.011 1.00 0.00 H +TER +ATOM 6353 O WAT 1762 63.330 11.428 12.100 1.00 0.00 O +ATOM 6354 H1 WAT 1762 63.345 10.496 11.881 1.00 0.00 H +ATOM 6355 H2 WAT 1762 62.623 11.514 12.739 1.00 0.00 H +TER +ATOM 6356 O WAT 1763 65.072 9.795 4.945 1.00 0.00 O +ATOM 6357 H1 WAT 1763 65.424 9.197 4.285 1.00 0.00 H +ATOM 6358 H2 WAT 1763 64.188 9.469 5.116 1.00 0.00 H +TER +ATOM 6359 O WAT 1764 61.158 10.554 2.352 1.00 0.00 O +ATOM 6360 H1 WAT 1764 61.845 11.101 2.733 1.00 0.00 H +ATOM 6361 H2 WAT 1764 60.371 11.099 2.387 1.00 0.00 H +TER +ATOM 6362 O WAT 1765 62.764 13.070 9.194 1.00 0.00 O +ATOM 6363 H1 WAT 1765 63.408 13.276 9.871 1.00 0.00 H +ATOM 6364 H2 WAT 1765 63.127 12.309 8.741 1.00 0.00 H +TER +ATOM 6365 O WAT 1766 64.037 11.073 7.911 1.00 0.00 O +ATOM 6366 H1 WAT 1766 64.679 10.372 8.025 1.00 0.00 H +ATOM 6367 H2 WAT 1766 64.562 11.853 7.731 1.00 0.00 H +TER +ATOM 6368 O WAT 1767 53.648 13.650 12.884 1.00 0.00 O +ATOM 6369 H1 WAT 1767 53.758 12.709 12.744 1.00 0.00 H +ATOM 6370 H2 WAT 1767 52.996 13.915 12.235 1.00 0.00 H +TER +ATOM 6371 O WAT 1768 61.640 11.922 14.284 1.00 0.00 O +ATOM 6372 H1 WAT 1768 61.319 11.202 14.828 1.00 0.00 H +ATOM 6373 H2 WAT 1768 60.965 12.597 14.357 1.00 0.00 H +TER +ATOM 6374 O WAT 1769 61.815 4.808 9.871 1.00 0.00 O +ATOM 6375 H1 WAT 1769 62.314 5.283 10.536 1.00 0.00 H +ATOM 6376 H2 WAT 1769 61.958 3.884 10.078 1.00 0.00 H +TER +ATOM 6377 O WAT 1770 56.788 15.532 5.507 1.00 0.00 O +ATOM 6378 H1 WAT 1770 57.525 14.984 5.778 1.00 0.00 H +ATOM 6379 H2 WAT 1770 57.173 16.398 5.368 1.00 0.00 H +TER +ATOM 6380 O WAT 1771 55.794 14.717 14.696 1.00 0.00 O +ATOM 6381 H1 WAT 1771 56.596 15.038 15.109 1.00 0.00 H +ATOM 6382 H2 WAT 1771 55.279 14.356 15.418 1.00 0.00 H +TER +ATOM 6383 O WAT 1772 64.631 10.825 14.643 1.00 0.00 O +ATOM 6384 H1 WAT 1772 64.025 10.848 13.903 1.00 0.00 H +ATOM 6385 H2 WAT 1772 64.326 10.093 15.180 1.00 0.00 H +TER +ATOM 6386 O WAT 1773 53.514 7.204 13.640 1.00 0.00 O +ATOM 6387 H1 WAT 1773 54.018 6.625 14.211 1.00 0.00 H +ATOM 6388 H2 WAT 1773 52.775 7.488 14.177 1.00 0.00 H +TER +ATOM 6389 O WAT 1774 60.568 8.611 13.173 1.00 0.00 O +ATOM 6390 H1 WAT 1774 59.802 9.180 13.089 1.00 0.00 H +ATOM 6391 H2 WAT 1774 60.749 8.319 12.280 1.00 0.00 H +TER +ATOM 6392 O WAT 1775 55.546 5.347 14.535 1.00 0.00 O +ATOM 6393 H1 WAT 1775 55.587 5.049 15.443 1.00 0.00 H +ATOM 6394 H2 WAT 1775 56.401 5.748 14.375 1.00 0.00 H +TER +ATOM 6395 O WAT 1776 57.487 3.926 12.502 1.00 0.00 O +ATOM 6396 H1 WAT 1776 56.957 3.435 11.874 1.00 0.00 H +ATOM 6397 H2 WAT 1776 58.156 4.355 11.968 1.00 0.00 H +TER +ATOM 6398 O WAT 1777 61.146 8.345 10.236 1.00 0.00 O +ATOM 6399 H1 WAT 1777 61.565 9.189 10.063 1.00 0.00 H +ATOM 6400 H2 WAT 1777 60.227 8.483 10.006 1.00 0.00 H +TER +ATOM 6401 O WAT 1778 63.483 6.077 11.620 1.00 0.00 O +ATOM 6402 H1 WAT 1778 63.602 5.481 12.359 1.00 0.00 H +ATOM 6403 H2 WAT 1778 64.342 6.114 11.200 1.00 0.00 H +TER +ATOM 6404 O WAT 1779 58.997 14.651 11.351 1.00 0.00 O +ATOM 6405 H1 WAT 1779 58.459 15.375 11.032 1.00 0.00 H +ATOM 6406 H2 WAT 1779 59.250 14.174 10.561 1.00 0.00 H +TER +ATOM 6407 O WAT 1780 60.250 2.619 12.877 1.00 0.00 O +ATOM 6408 H1 WAT 1780 60.839 2.311 13.565 1.00 0.00 H +ATOM 6409 H2 WAT 1780 59.432 2.147 13.033 1.00 0.00 H +TER +ATOM 6410 O WAT 1781 61.853 15.886 11.610 1.00 0.00 O +ATOM 6411 H1 WAT 1781 61.779 16.789 11.917 1.00 0.00 H +ATOM 6412 H2 WAT 1781 60.951 15.567 11.582 1.00 0.00 H +TER +ATOM 6413 O WAT 1782 53.256 13.213 4.914 1.00 0.00 O +ATOM 6414 H1 WAT 1782 53.586 12.345 4.681 1.00 0.00 H +ATOM 6415 H2 WAT 1782 53.685 13.419 5.744 1.00 0.00 H +TER +ATOM 6416 O WAT 1783 57.852 11.544 2.574 1.00 0.00 O +ATOM 6417 H1 WAT 1783 57.552 11.421 3.474 1.00 0.00 H +ATOM 6418 H2 WAT 1783 57.746 10.685 2.165 1.00 0.00 H +TER +ATOM 6419 O WAT 1784 53.745 14.080 7.652 1.00 0.00 O +ATOM 6420 H1 WAT 1784 53.308 14.260 8.484 1.00 0.00 H +ATOM 6421 H2 WAT 1784 54.313 14.838 7.510 1.00 0.00 H +TER +ATOM 6422 O WAT 1785 53.577 6.592 4.011 1.00 0.00 O +ATOM 6423 H1 WAT 1785 52.922 6.323 3.367 1.00 0.00 H +ATOM 6424 H2 WAT 1785 54.415 6.483 3.561 1.00 0.00 H +TER +ATOM 6425 O WAT 1786 54.615 6.978 8.551 1.00 0.00 O +ATOM 6426 H1 WAT 1786 54.982 6.890 9.431 1.00 0.00 H +ATOM 6427 H2 WAT 1786 54.046 6.214 8.452 1.00 0.00 H +TER +ATOM 6428 O WAT 1787 54.167 3.888 12.457 1.00 0.00 O +ATOM 6429 H1 WAT 1787 53.272 3.855 12.796 1.00 0.00 H +ATOM 6430 H2 WAT 1787 54.706 4.087 13.222 1.00 0.00 H +TER +ATOM 6431 O WAT 1788 56.030 11.491 13.713 1.00 0.00 O +ATOM 6432 H1 WAT 1788 55.987 11.120 14.594 1.00 0.00 H +ATOM 6433 H2 WAT 1788 56.161 12.429 13.853 1.00 0.00 H +TER +ATOM 6434 O WAT 1789 59.731 13.047 9.314 1.00 0.00 O +ATOM 6435 H1 WAT 1789 59.490 13.314 8.427 1.00 0.00 H +ATOM 6436 H2 WAT 1789 60.671 13.217 9.369 1.00 0.00 H +TER +ATOM 6437 O WAT 1790 55.869 14.437 10.833 1.00 0.00 O +ATOM 6438 H1 WAT 1790 55.275 14.306 11.572 1.00 0.00 H +ATOM 6439 H2 WAT 1790 55.861 13.601 10.367 1.00 0.00 H +TER +ATOM 6440 O WAT 1791 55.500 11.803 9.783 1.00 0.00 O +ATOM 6441 H1 WAT 1791 54.774 11.183 9.716 1.00 0.00 H +ATOM 6442 H2 WAT 1791 55.561 12.197 8.913 1.00 0.00 H +TER +ATOM 6443 O WAT 1792 59.105 14.017 6.568 1.00 0.00 O +ATOM 6444 H1 WAT 1792 59.621 13.406 6.043 1.00 0.00 H +ATOM 6445 H2 WAT 1792 59.754 14.520 7.060 1.00 0.00 H +TER +ATOM 6446 O WAT 1793 61.844 14.908 7.395 1.00 0.00 O +ATOM 6447 H1 WAT 1793 62.132 14.654 6.519 1.00 0.00 H +ATOM 6448 H2 WAT 1793 62.357 14.356 7.986 1.00 0.00 H +TER +ATOM 6449 O WAT 1794 53.783 15.120 2.993 1.00 0.00 O +ATOM 6450 H1 WAT 1794 53.615 14.487 3.691 1.00 0.00 H +ATOM 6451 H2 WAT 1794 52.917 15.326 2.643 1.00 0.00 H +TER +ATOM 6452 O WAT 1795 61.912 15.830 14.762 1.00 0.00 O +ATOM 6453 H1 WAT 1795 62.838 15.594 14.806 1.00 0.00 H +ATOM 6454 H2 WAT 1795 61.897 16.657 14.281 1.00 0.00 H +TER +ATOM 6455 O WAT 1796 45.831 62.252 60.565 1.00 0.00 O +ATOM 6456 H1 WAT 1796 45.750 61.337 60.294 1.00 0.00 H +ATOM 6457 H2 WAT 1796 45.417 62.749 59.859 1.00 0.00 H +TER +ATOM 6458 O WAT 1797 43.963 64.030 62.446 1.00 0.00 O +ATOM 6459 H1 WAT 1797 43.187 63.550 62.736 1.00 0.00 H +ATOM 6460 H2 WAT 1797 44.614 63.350 62.272 1.00 0.00 H +TER +ATOM 6461 O WAT 1798 37.979 64.342 63.324 1.00 0.00 O +ATOM 6462 H1 WAT 1798 37.148 64.087 63.723 1.00 0.00 H +ATOM 6463 H2 WAT 1798 38.587 64.413 64.060 1.00 0.00 H +TER +ATOM 6464 O WAT 1799 36.388 59.302 57.108 1.00 0.00 O +ATOM 6465 H1 WAT 1799 35.500 59.644 57.006 1.00 0.00 H +ATOM 6466 H2 WAT 1799 36.673 59.102 56.216 1.00 0.00 H +TER +ATOM 6467 O WAT 1800 34.352 61.903 62.992 1.00 0.00 O +ATOM 6468 H1 WAT 1800 34.923 61.135 62.992 1.00 0.00 H +ATOM 6469 H2 WAT 1800 34.352 62.201 62.083 1.00 0.00 H +TER +ATOM 6470 O WAT 1801 43.404 66.706 62.453 1.00 0.00 O +ATOM 6471 H1 WAT 1801 43.334 65.765 62.292 1.00 0.00 H +ATOM 6472 H2 WAT 1801 44.166 66.796 63.025 1.00 0.00 H +TER +ATOM 6473 O WAT 1802 35.594 57.311 64.779 1.00 0.00 O +ATOM 6474 H1 WAT 1802 35.415 56.414 65.059 1.00 0.00 H +ATOM 6475 H2 WAT 1802 35.192 57.858 65.454 1.00 0.00 H +TER +ATOM 6476 O WAT 1803 44.434 59.513 62.680 1.00 0.00 O +ATOM 6477 H1 WAT 1803 44.811 58.640 62.567 1.00 0.00 H +ATOM 6478 H2 WAT 1803 44.336 59.849 61.789 1.00 0.00 H +TER +ATOM 6479 O WAT 1804 38.565 57.885 58.142 1.00 0.00 O +ATOM 6480 H1 WAT 1804 38.671 58.786 58.449 1.00 0.00 H +ATOM 6481 H2 WAT 1804 37.654 57.837 57.851 1.00 0.00 H +TER +ATOM 6482 O WAT 1805 48.217 57.008 59.613 1.00 0.00 O +ATOM 6483 H1 WAT 1805 49.037 56.517 59.655 1.00 0.00 H +ATOM 6484 H2 WAT 1805 48.250 57.597 60.366 1.00 0.00 H +TER +ATOM 6485 O WAT 1806 36.213 59.807 63.387 1.00 0.00 O +ATOM 6486 H1 WAT 1806 36.894 60.071 64.006 1.00 0.00 H +ATOM 6487 H2 WAT 1806 35.898 58.967 63.721 1.00 0.00 H +TER +ATOM 6488 O WAT 1807 40.405 60.854 62.474 1.00 0.00 O +ATOM 6489 H1 WAT 1807 40.913 61.352 63.115 1.00 0.00 H +ATOM 6490 H2 WAT 1807 40.937 60.077 62.298 1.00 0.00 H +TER +ATOM 6491 O WAT 1808 45.076 65.606 58.240 1.00 0.00 O +ATOM 6492 H1 WAT 1808 44.458 66.071 57.676 1.00 0.00 H +ATOM 6493 H2 WAT 1808 45.588 66.298 58.657 1.00 0.00 H +TER +ATOM 6494 O WAT 1809 39.939 65.133 64.918 1.00 0.00 O +ATOM 6495 H1 WAT 1809 39.606 65.760 65.560 1.00 0.00 H +ATOM 6496 H2 WAT 1809 40.116 65.659 64.138 1.00 0.00 H +TER +ATOM 6497 O WAT 1810 48.453 58.948 62.386 1.00 0.00 O +ATOM 6498 H1 WAT 1810 47.748 59.236 62.966 1.00 0.00 H +ATOM 6499 H2 WAT 1810 48.814 59.758 62.026 1.00 0.00 H +TER +ATOM 6500 O WAT 1811 38.371 57.205 64.748 1.00 0.00 O +ATOM 6501 H1 WAT 1811 38.712 58.049 64.453 1.00 0.00 H +ATOM 6502 H2 WAT 1811 37.432 57.353 64.864 1.00 0.00 H +TER +ATOM 6503 O WAT 1812 34.444 66.291 55.614 1.00 0.00 O +ATOM 6504 H1 WAT 1812 34.067 66.780 54.882 1.00 0.00 H +ATOM 6505 H2 WAT 1812 34.702 66.964 56.244 1.00 0.00 H +TER +ATOM 6506 O WAT 1813 51.521 58.393 62.777 1.00 0.00 O +ATOM 6507 H1 WAT 1813 50.574 58.427 62.908 1.00 0.00 H +ATOM 6508 H2 WAT 1813 51.846 59.207 63.162 1.00 0.00 H +TER +ATOM 6509 O WAT 1814 42.053 54.693 61.072 1.00 0.00 O +ATOM 6510 H1 WAT 1814 42.361 54.138 60.356 1.00 0.00 H +ATOM 6511 H2 WAT 1814 41.123 54.827 60.890 1.00 0.00 H +TER +ATOM 6512 O WAT 1815 48.899 67.131 58.452 1.00 0.00 O +ATOM 6513 H1 WAT 1815 48.789 66.189 58.577 1.00 0.00 H +ATOM 6514 H2 WAT 1815 48.896 67.493 59.338 1.00 0.00 H +TER +ATOM 6515 O WAT 1816 47.003 65.313 64.691 1.00 0.00 O +ATOM 6516 H1 WAT 1816 47.420 65.099 63.857 1.00 0.00 H +ATOM 6517 H2 WAT 1816 47.727 65.570 65.262 1.00 0.00 H +TER +ATOM 6518 O WAT 1817 44.441 62.758 57.808 1.00 0.00 O +ATOM 6519 H1 WAT 1817 43.514 62.692 58.037 1.00 0.00 H +ATOM 6520 H2 WAT 1817 44.594 63.696 57.694 1.00 0.00 H +TER +ATOM 6521 O WAT 1818 44.428 59.030 54.805 1.00 0.00 O +ATOM 6522 H1 WAT 1818 43.489 59.191 54.890 1.00 0.00 H +ATOM 6523 H2 WAT 1818 44.747 59.748 54.259 1.00 0.00 H +TER +ATOM 6524 O WAT 1819 50.950 63.711 64.783 1.00 0.00 O +ATOM 6525 H1 WAT 1819 50.121 63.781 64.308 1.00 0.00 H +ATOM 6526 H2 WAT 1819 51.545 64.297 64.314 1.00 0.00 H +TER +ATOM 6527 O WAT 1820 48.471 64.320 58.312 1.00 0.00 O +ATOM 6528 H1 WAT 1820 47.852 63.982 57.664 1.00 0.00 H +ATOM 6529 H2 WAT 1820 48.454 63.676 59.020 1.00 0.00 H +TER +ATOM 6530 O WAT 1821 47.914 60.498 65.728 1.00 0.00 O +ATOM 6531 H1 WAT 1821 47.501 61.324 65.982 1.00 0.00 H +ATOM 6532 H2 WAT 1821 47.181 59.913 65.536 1.00 0.00 H +TER +ATOM 6533 O WAT 1822 40.047 63.284 60.590 1.00 0.00 O +ATOM 6534 H1 WAT 1822 39.643 62.572 60.095 1.00 0.00 H +ATOM 6535 H2 WAT 1822 40.133 62.940 61.479 1.00 0.00 H +TER +ATOM 6536 O WAT 1823 40.515 66.971 62.754 1.00 0.00 O +ATOM 6537 H1 WAT 1823 40.218 66.366 62.075 1.00 0.00 H +ATOM 6538 H2 WAT 1823 41.465 67.009 62.643 1.00 0.00 H +TER +ATOM 6539 O WAT 1824 38.760 60.059 64.370 1.00 0.00 O +ATOM 6540 H1 WAT 1824 39.311 60.168 63.595 1.00 0.00 H +ATOM 6541 H2 WAT 1824 39.274 60.432 65.086 1.00 0.00 H +TER +ATOM 6542 O WAT 1825 46.648 63.559 55.319 1.00 0.00 O +ATOM 6543 H1 WAT 1825 47.087 62.721 55.173 1.00 0.00 H +ATOM 6544 H2 WAT 1825 47.360 64.191 55.405 1.00 0.00 H +TER +ATOM 6545 O WAT 1826 50.229 54.813 53.633 1.00 0.00 O +ATOM 6546 H1 WAT 1826 49.917 54.905 54.533 1.00 0.00 H +ATOM 6547 H2 WAT 1826 50.991 55.391 53.583 1.00 0.00 H +TER +ATOM 6548 O WAT 1827 36.748 62.179 58.091 1.00 0.00 O +ATOM 6549 H1 WAT 1827 36.627 62.905 57.479 1.00 0.00 H +ATOM 6550 H2 WAT 1827 36.438 61.409 57.614 1.00 0.00 H +TER +ATOM 6551 O WAT 1828 34.386 65.350 63.898 1.00 0.00 O +ATOM 6552 H1 WAT 1828 34.464 65.485 62.953 1.00 0.00 H +ATOM 6553 H2 WAT 1828 35.000 64.642 64.091 1.00 0.00 H +TER +ATOM 6554 O WAT 1829 35.631 67.050 60.308 1.00 0.00 O +ATOM 6555 H1 WAT 1829 35.224 67.192 59.454 1.00 0.00 H +ATOM 6556 H2 WAT 1829 36.522 66.766 60.105 1.00 0.00 H +TER +ATOM 6557 O WAT 1830 39.214 55.522 61.473 1.00 0.00 O +ATOM 6558 H1 WAT 1830 38.771 56.303 61.142 1.00 0.00 H +ATOM 6559 H2 WAT 1830 39.772 55.845 62.180 1.00 0.00 H +TER +ATOM 6560 O WAT 1831 42.330 55.143 56.354 1.00 0.00 O +ATOM 6561 H1 WAT 1831 41.705 55.139 57.079 1.00 0.00 H +ATOM 6562 H2 WAT 1831 42.243 54.276 55.957 1.00 0.00 H +TER +ATOM 6563 O WAT 1832 41.251 56.067 63.332 1.00 0.00 O +ATOM 6564 H1 WAT 1832 41.549 56.973 63.251 1.00 0.00 H +ATOM 6565 H2 WAT 1832 41.800 55.579 62.718 1.00 0.00 H +TER +ATOM 6566 O WAT 1833 39.005 60.646 59.201 1.00 0.00 O +ATOM 6567 H1 WAT 1833 38.779 60.429 60.106 1.00 0.00 H +ATOM 6568 H2 WAT 1833 38.225 61.078 58.856 1.00 0.00 H +TER +ATOM 6569 O WAT 1834 46.235 60.652 57.800 1.00 0.00 O +ATOM 6570 H1 WAT 1834 45.636 61.376 57.617 1.00 0.00 H +ATOM 6571 H2 WAT 1834 46.783 60.590 57.018 1.00 0.00 H +TER +ATOM 6572 O WAT 1835 44.842 59.288 59.831 1.00 0.00 O +ATOM 6573 H1 WAT 1835 45.235 59.606 59.018 1.00 0.00 H +ATOM 6574 H2 WAT 1835 45.203 58.410 59.945 1.00 0.00 H +TER +ATOM 6575 O WAT 1836 33.878 55.878 62.054 1.00 0.00 O +ATOM 6576 H1 WAT 1836 33.589 56.449 62.766 1.00 0.00 H +ATOM 6577 H2 WAT 1836 34.623 55.399 62.417 1.00 0.00 H +TER +ATOM 6578 O WAT 1837 34.065 59.820 53.264 1.00 0.00 O +ATOM 6579 H1 WAT 1837 33.982 60.764 53.406 1.00 0.00 H +ATOM 6580 H2 WAT 1837 33.713 59.678 52.385 1.00 0.00 H +TER +ATOM 6581 O WAT 1838 45.427 61.879 63.926 1.00 0.00 O +ATOM 6582 H1 WAT 1838 44.695 62.388 64.275 1.00 0.00 H +ATOM 6583 H2 WAT 1838 45.030 61.062 63.625 1.00 0.00 H +TER +ATOM 6584 O WAT 1839 41.865 58.554 62.331 1.00 0.00 O +ATOM 6585 H1 WAT 1839 41.868 58.113 61.482 1.00 0.00 H +ATOM 6586 H2 WAT 1839 42.760 58.876 62.438 1.00 0.00 H +TER +ATOM 6587 O WAT 1840 37.715 58.437 61.290 1.00 0.00 O +ATOM 6588 H1 WAT 1840 37.375 58.914 62.047 1.00 0.00 H +ATOM 6589 H2 WAT 1840 36.953 57.983 60.931 1.00 0.00 H +TER +ATOM 6590 O WAT 1841 41.927 59.556 55.322 1.00 0.00 O +ATOM 6591 H1 WAT 1841 42.048 59.514 56.270 1.00 0.00 H +ATOM 6592 H2 WAT 1841 41.542 60.418 55.166 1.00 0.00 H +TER +ATOM 6593 O WAT 1842 45.890 57.332 63.338 1.00 0.00 O +ATOM 6594 H1 WAT 1842 45.907 57.783 64.182 1.00 0.00 H +ATOM 6595 H2 WAT 1842 45.641 56.433 63.551 1.00 0.00 H +TER +ATOM 6596 O WAT 1843 40.939 61.866 54.720 1.00 0.00 O +ATOM 6597 H1 WAT 1843 40.371 61.417 54.094 1.00 0.00 H +ATOM 6598 H2 WAT 1843 41.648 62.225 54.187 1.00 0.00 H +TER +ATOM 6599 O WAT 1844 42.166 62.615 64.078 1.00 0.00 O +ATOM 6600 H1 WAT 1844 42.533 62.140 64.824 1.00 0.00 H +ATOM 6601 H2 WAT 1844 41.976 63.489 64.418 1.00 0.00 H +TER +ATOM 6602 O WAT 1845 35.030 57.359 60.207 1.00 0.00 O +ATOM 6603 H1 WAT 1845 34.744 56.994 61.045 1.00 0.00 H +ATOM 6604 H2 WAT 1845 34.968 56.627 59.593 1.00 0.00 H +TER +ATOM 6605 O WAT 1846 38.484 65.861 56.993 1.00 0.00 O +ATOM 6606 H1 WAT 1846 37.710 65.321 56.833 1.00 0.00 H +ATOM 6607 H2 WAT 1846 39.213 65.342 56.654 1.00 0.00 H +TER +ATOM 6608 O WAT 1847 49.243 64.858 62.785 1.00 0.00 O +ATOM 6609 H1 WAT 1847 49.962 65.354 62.395 1.00 0.00 H +ATOM 6610 H2 WAT 1847 49.041 64.180 62.141 1.00 0.00 H +TER +ATOM 6611 O WAT 1848 44.704 56.252 56.928 1.00 0.00 O +ATOM 6612 H1 WAT 1848 43.890 55.753 56.853 1.00 0.00 H +ATOM 6613 H2 WAT 1848 44.510 57.092 56.512 1.00 0.00 H +TER +ATOM 6614 O WAT 1849 47.418 60.624 55.225 1.00 0.00 O +ATOM 6615 H1 WAT 1849 48.306 60.935 55.050 1.00 0.00 H +ATOM 6616 H2 WAT 1849 47.389 59.751 54.833 1.00 0.00 H +TER +ATOM 6617 O WAT 1850 38.527 65.530 60.631 1.00 0.00 O +ATOM 6618 H1 WAT 1850 39.045 64.726 60.576 1.00 0.00 H +ATOM 6619 H2 WAT 1850 38.076 65.467 61.472 1.00 0.00 H +TER +ATOM 6620 O WAT 1851 43.414 66.796 55.903 1.00 0.00 O +ATOM 6621 H1 WAT 1851 43.756 67.540 55.408 1.00 0.00 H +ATOM 6622 H2 WAT 1851 42.586 67.109 56.266 1.00 0.00 H +TER +ATOM 6623 O WAT 1852 49.690 61.935 54.692 1.00 0.00 O +ATOM 6624 H1 WAT 1852 49.606 62.366 53.842 1.00 0.00 H +ATOM 6625 H2 WAT 1852 50.409 62.395 55.125 1.00 0.00 H +TER +ATOM 6626 O WAT 1853 46.297 66.118 61.268 1.00 0.00 O +ATOM 6627 H1 WAT 1853 46.650 65.521 60.608 1.00 0.00 H +ATOM 6628 H2 WAT 1853 45.413 65.792 61.439 1.00 0.00 H +TER +ATOM 6629 O WAT 1854 42.383 66.877 58.675 1.00 0.00 O +ATOM 6630 H1 WAT 1854 43.071 67.424 59.056 1.00 0.00 H +ATOM 6631 H2 WAT 1854 41.597 67.422 58.710 1.00 0.00 H +TER +ATOM 6632 O WAT 1855 34.523 62.495 54.167 1.00 0.00 O +ATOM 6633 H1 WAT 1855 35.392 62.777 54.450 1.00 0.00 H +ATOM 6634 H2 WAT 1855 34.032 63.308 54.052 1.00 0.00 H +TER +ATOM 6635 O WAT 1856 41.686 63.882 58.287 1.00 0.00 O +ATOM 6636 H1 WAT 1856 42.142 64.693 58.513 1.00 0.00 H +ATOM 6637 H2 WAT 1856 41.335 63.564 59.119 1.00 0.00 H +TER +ATOM 6638 O WAT 1857 37.587 54.226 58.760 1.00 0.00 O +ATOM 6639 H1 WAT 1857 37.459 54.218 59.708 1.00 0.00 H +ATOM 6640 H2 WAT 1857 36.764 54.564 58.409 1.00 0.00 H +TER +ATOM 6641 O WAT 1858 49.108 67.681 53.958 1.00 0.00 O +ATOM 6642 H1 WAT 1858 48.882 66.964 54.551 1.00 0.00 H +ATOM 6643 H2 WAT 1858 48.718 67.432 53.121 1.00 0.00 H +TER +ATOM 6644 O WAT 1859 48.690 65.598 55.620 1.00 0.00 O +ATOM 6645 H1 WAT 1859 48.402 66.059 56.408 1.00 0.00 H +ATOM 6646 H2 WAT 1859 49.485 65.138 55.888 1.00 0.00 H +TER +ATOM 6647 O WAT 1860 36.507 64.312 56.295 1.00 0.00 O +ATOM 6648 H1 WAT 1860 35.900 65.052 56.304 1.00 0.00 H +ATOM 6649 H2 WAT 1860 36.982 64.402 55.469 1.00 0.00 H +TER +ATOM 6650 O WAT 1861 49.447 57.433 56.779 1.00 0.00 O +ATOM 6651 H1 WAT 1861 48.818 57.537 56.065 1.00 0.00 H +ATOM 6652 H2 WAT 1861 48.952 57.653 57.569 1.00 0.00 H +TER +ATOM 6653 O WAT 1862 41.415 59.711 58.195 1.00 0.00 O +ATOM 6654 H1 WAT 1862 40.707 60.180 58.636 1.00 0.00 H +ATOM 6655 H2 WAT 1862 41.700 59.054 58.830 1.00 0.00 H +TER +ATOM 6656 O WAT 1863 45.447 56.437 59.635 1.00 0.00 O +ATOM 6657 H1 WAT 1863 45.324 56.455 58.686 1.00 0.00 H +ATOM 6658 H2 WAT 1863 46.395 56.484 59.754 1.00 0.00 H +TER +ATOM 6659 O WAT 1864 39.619 58.020 55.570 1.00 0.00 O +ATOM 6660 H1 WAT 1864 40.468 58.457 55.504 1.00 0.00 H +ATOM 6661 H2 WAT 1864 39.252 58.332 56.397 1.00 0.00 H +TER +ATOM 6662 O WAT 1865 48.540 62.591 60.483 1.00 0.00 O +ATOM 6663 H1 WAT 1865 47.599 62.606 60.658 1.00 0.00 H +ATOM 6664 H2 WAT 1865 48.854 61.805 60.929 1.00 0.00 H +TER +ATOM 6665 O WAT 1866 38.518 64.273 54.044 1.00 0.00 O +ATOM 6666 H1 WAT 1866 39.284 64.161 54.606 1.00 0.00 H +ATOM 6667 H2 WAT 1866 38.595 63.577 53.391 1.00 0.00 H +TER +ATOM 6668 O WAT 1867 37.213 61.706 54.727 1.00 0.00 O +ATOM 6669 H1 WAT 1867 37.293 60.758 54.839 1.00 0.00 H +ATOM 6670 H2 WAT 1867 38.105 62.036 54.833 1.00 0.00 H +TER +ATOM 6671 O WAT 1868 41.642 66.249 53.517 1.00 0.00 O +ATOM 6672 H1 WAT 1868 41.537 65.634 54.243 1.00 0.00 H +ATOM 6673 H2 WAT 1868 41.474 65.725 52.734 1.00 0.00 H +TER +ATOM 6674 O WAT 1869 44.882 65.311 54.121 1.00 0.00 O +ATOM 6675 H1 WAT 1869 44.333 65.758 54.766 1.00 0.00 H +ATOM 6676 H2 WAT 1869 45.504 64.806 54.645 1.00 0.00 H +TER +ATOM 6677 O WAT 1870 40.550 64.270 56.018 1.00 0.00 O +ATOM 6678 H1 WAT 1870 40.971 64.104 56.861 1.00 0.00 H +ATOM 6679 H2 WAT 1870 40.675 63.460 55.523 1.00 0.00 H +TER +ATOM 6680 O WAT 1871 43.063 63.294 53.266 1.00 0.00 O +ATOM 6681 H1 WAT 1871 43.583 62.578 52.900 1.00 0.00 H +ATOM 6682 H2 WAT 1871 43.709 63.932 53.566 1.00 0.00 H +TER +ATOM 6683 O WAT 1872 39.446 60.343 52.964 1.00 0.00 O +ATOM 6684 H1 WAT 1872 39.245 59.480 53.325 1.00 0.00 H +ATOM 6685 H2 WAT 1872 39.275 60.256 52.026 1.00 0.00 H +TER +ATOM 6686 O WAT 1873 46.925 55.154 55.492 1.00 0.00 O +ATOM 6687 H1 WAT 1873 47.205 54.311 55.848 1.00 0.00 H +ATOM 6688 H2 WAT 1873 46.151 55.386 56.006 1.00 0.00 H +TER +ATOM 6689 O WAT 1874 38.244 57.443 52.952 1.00 0.00 O +ATOM 6690 H1 WAT 1874 38.547 57.450 52.043 1.00 0.00 H +ATOM 6691 H2 WAT 1874 38.983 57.093 53.448 1.00 0.00 H +TER +ATOM 6692 O WAT 1875 41.462 56.387 53.937 1.00 0.00 O +ATOM 6693 H1 WAT 1875 41.115 55.709 53.357 1.00 0.00 H +ATOM 6694 H2 WAT 1875 41.664 55.926 54.752 1.00 0.00 H +TER +ATOM 6695 O WAT 1876 37.267 66.747 53.785 1.00 0.00 O +ATOM 6696 H1 WAT 1876 37.704 67.290 54.440 1.00 0.00 H +ATOM 6697 H2 WAT 1876 37.752 65.922 53.794 1.00 0.00 H +TER +ATOM 6698 O WAT 1877 39.078 67.867 58.897 1.00 0.00 O +ATOM 6699 H1 WAT 1877 38.777 67.744 59.797 1.00 0.00 H +ATOM 6700 H2 WAT 1877 38.972 67.008 58.488 1.00 0.00 H +TER +ATOM 6701 O WAT 1878 51.303 64.392 56.103 1.00 0.00 O +ATOM 6702 H1 WAT 1878 52.065 64.961 56.209 1.00 0.00 H +ATOM 6703 H2 WAT 1878 51.318 63.824 56.874 1.00 0.00 H +TER +ATOM 6704 O WAT 1879 34.803 62.915 60.334 1.00 0.00 O +ATOM 6705 H1 WAT 1879 34.148 62.647 59.690 1.00 0.00 H +ATOM 6706 H2 WAT 1879 35.641 62.806 59.884 1.00 0.00 H +TER +ATOM 6707 O WAT 1880 52.309 65.247 60.947 1.00 0.00 O +ATOM 6708 H1 WAT 1880 52.679 64.463 60.541 1.00 0.00 H +ATOM 6709 H2 WAT 1880 52.949 65.935 60.769 1.00 0.00 H +TER +ATOM 6710 O WAT 1881 51.355 64.685 53.260 1.00 0.00 O +ATOM 6711 H1 WAT 1881 51.629 65.593 53.132 1.00 0.00 H +ATOM 6712 H2 WAT 1881 51.166 64.621 54.196 1.00 0.00 H +TER +ATOM 6713 O WAT 1882 47.752 57.709 54.555 1.00 0.00 O +ATOM 6714 H1 WAT 1882 48.171 57.523 53.715 1.00 0.00 H +ATOM 6715 H2 WAT 1882 47.446 56.857 54.866 1.00 0.00 H +TER +ATOM 6716 O WAT 1883 51.251 62.622 58.253 1.00 0.00 O +ATOM 6717 H1 WAT 1883 50.875 61.855 57.821 1.00 0.00 H +ATOM 6718 H2 WAT 1883 50.521 63.004 58.741 1.00 0.00 H +TER +ATOM 6719 O WAT 1884 35.841 63.301 64.874 1.00 0.00 O +ATOM 6720 H1 WAT 1884 36.208 63.213 65.754 1.00 0.00 H +ATOM 6721 H2 WAT 1884 35.272 62.537 64.775 1.00 0.00 H +TER +ATOM 6722 O WAT 1885 34.017 60.125 56.276 1.00 0.00 O +ATOM 6723 H1 WAT 1885 33.113 60.388 56.101 1.00 0.00 H +ATOM 6724 H2 WAT 1885 34.501 60.396 55.496 1.00 0.00 H +TER +ATOM 6725 O WAT 1886 50.526 60.848 61.554 1.00 0.00 O +ATOM 6726 H1 WAT 1886 51.050 60.354 60.923 1.00 0.00 H +ATOM 6727 H2 WAT 1886 51.112 60.983 62.299 1.00 0.00 H +TER +ATOM 6728 O WAT 1887 50.705 60.932 65.076 1.00 0.00 O +ATOM 6729 H1 WAT 1887 49.755 60.898 65.190 1.00 0.00 H +ATOM 6730 H2 WAT 1887 50.886 61.842 64.841 1.00 0.00 H +TER +ATOM 6731 O WAT 1888 36.560 59.182 54.186 1.00 0.00 O +ATOM 6732 H1 WAT 1888 37.269 58.760 53.700 1.00 0.00 H +ATOM 6733 H2 WAT 1888 35.844 59.249 53.554 1.00 0.00 H +TER +ATOM 6734 O WAT 1889 36.207 55.236 53.226 1.00 0.00 O +ATOM 6735 H1 WAT 1889 36.930 55.777 53.544 1.00 0.00 H +ATOM 6736 H2 WAT 1889 36.479 54.962 52.350 1.00 0.00 H +TER +ATOM 6737 O WAT 1890 50.016 60.105 57.493 1.00 0.00 O +ATOM 6738 H1 WAT 1890 50.512 59.872 58.278 1.00 0.00 H +ATOM 6739 H2 WAT 1890 49.818 59.266 57.077 1.00 0.00 H +TER +ATOM 6740 O WAT 1891 35.896 54.486 63.128 1.00 0.00 O +ATOM 6741 H1 WAT 1891 36.544 53.936 62.688 1.00 0.00 H +ATOM 6742 H2 WAT 1891 36.316 54.741 63.950 1.00 0.00 H +TER +ATOM 6743 O WAT 1892 51.445 58.741 60.027 1.00 0.00 O +ATOM 6744 H1 WAT 1892 51.335 58.587 60.965 1.00 0.00 H +ATOM 6745 H2 WAT 1892 52.206 58.213 59.784 1.00 0.00 H +TER +ATOM 6746 O WAT 1893 52.334 56.572 53.267 1.00 0.00 O +ATOM 6747 H1 WAT 1893 53.259 56.440 53.059 1.00 0.00 H +ATOM 6748 H2 WAT 1893 52.311 56.651 54.221 1.00 0.00 H +TER +ATOM 6749 O WAT 1894 52.408 57.343 55.893 1.00 0.00 O +ATOM 6750 H1 WAT 1894 51.613 57.277 56.422 1.00 0.00 H +ATOM 6751 H2 WAT 1894 52.612 58.278 55.882 1.00 0.00 H +TER +ATOM 6752 O WAT 1895 44.288 54.970 64.298 1.00 0.00 O +ATOM 6753 H1 WAT 1895 43.505 55.445 64.578 1.00 0.00 H +ATOM 6754 H2 WAT 1895 43.994 54.066 64.189 1.00 0.00 H +TER +ATOM 6755 O WAT 1896 48.840 55.673 62.343 1.00 0.00 O +ATOM 6756 H1 WAT 1896 49.281 55.617 61.495 1.00 0.00 H +ATOM 6757 H2 WAT 1896 48.571 56.588 62.414 1.00 0.00 H +TER +ATOM 6758 O WAT 1897 50.704 55.304 60.354 1.00 0.00 O +ATOM 6759 H1 WAT 1897 50.642 54.360 60.207 1.00 0.00 H +ATOM 6760 H2 WAT 1897 51.483 55.412 60.899 1.00 0.00 H +TER +ATOM 6761 O WAT 1898 35.632 55.275 56.819 1.00 0.00 O +ATOM 6762 H1 WAT 1898 36.390 55.388 56.246 1.00 0.00 H +ATOM 6763 H2 WAT 1898 35.169 56.112 56.774 1.00 0.00 H +TER +ATOM 6764 O WAT 1899 42.173 57.389 59.810 1.00 0.00 O +ATOM 6765 H1 WAT 1899 41.361 57.015 59.469 1.00 0.00 H +ATOM 6766 H2 WAT 1899 42.677 56.633 60.112 1.00 0.00 H +TER +ATOM 6767 O WAT 1900 46.676 54.053 61.048 1.00 0.00 O +ATOM 6768 H1 WAT 1900 47.278 54.625 61.523 1.00 0.00 H +ATOM 6769 H2 WAT 1900 45.935 54.617 60.825 1.00 0.00 H +TER +ATOM 6770 O WAT 1901 49.819 54.455 56.322 1.00 0.00 O +ATOM 6771 H1 WAT 1901 50.014 55.354 56.589 1.00 0.00 H +ATOM 6772 H2 WAT 1901 49.032 54.224 56.815 1.00 0.00 H +TER +ATOM 6773 O WAT 1902 38.004 55.801 55.360 1.00 0.00 O +ATOM 6774 H1 WAT 1902 38.533 55.014 55.230 1.00 0.00 H +ATOM 6775 H2 WAT 1902 38.637 56.481 55.593 1.00 0.00 H +TER +ATOM 6776 O WAT 1903 40.198 55.539 58.414 1.00 0.00 O +ATOM 6777 H1 WAT 1903 39.568 54.838 58.581 1.00 0.00 H +ATOM 6778 H2 WAT 1903 39.658 56.299 58.197 1.00 0.00 H +TER +ATOM 6779 O WAT 1904 45.831 62.252 41.791 1.00 0.00 O +ATOM 6780 H1 WAT 1904 45.750 61.337 41.520 1.00 0.00 H +ATOM 6781 H2 WAT 1904 45.417 62.749 41.085 1.00 0.00 H +TER +ATOM 6782 O WAT 1905 43.963 64.030 43.672 1.00 0.00 O +ATOM 6783 H1 WAT 1905 43.187 63.550 43.962 1.00 0.00 H +ATOM 6784 H2 WAT 1905 44.614 63.350 43.497 1.00 0.00 H +TER +ATOM 6785 O WAT 1906 37.979 64.342 44.549 1.00 0.00 O +ATOM 6786 H1 WAT 1906 37.148 64.087 44.949 1.00 0.00 H +ATOM 6787 H2 WAT 1906 38.587 64.413 45.285 1.00 0.00 H +TER +ATOM 6788 O WAT 1907 36.388 59.302 38.334 1.00 0.00 O +ATOM 6789 H1 WAT 1907 35.500 59.644 38.232 1.00 0.00 H +ATOM 6790 H2 WAT 1907 36.673 59.102 37.442 1.00 0.00 H +TER +ATOM 6791 O WAT 1908 34.352 61.903 44.218 1.00 0.00 O +ATOM 6792 H1 WAT 1908 34.923 61.135 44.218 1.00 0.00 H +ATOM 6793 H2 WAT 1908 34.352 62.201 43.308 1.00 0.00 H +TER +ATOM 6794 O WAT 1909 43.404 66.706 43.679 1.00 0.00 O +ATOM 6795 H1 WAT 1909 43.334 65.765 43.518 1.00 0.00 H +ATOM 6796 H2 WAT 1909 44.166 66.796 44.251 1.00 0.00 H +TER +ATOM 6797 O WAT 1910 35.594 57.311 46.005 1.00 0.00 O +ATOM 6798 H1 WAT 1910 35.415 56.414 46.285 1.00 0.00 H +ATOM 6799 H2 WAT 1910 35.192 57.858 46.679 1.00 0.00 H +TER +ATOM 6800 O WAT 1911 44.434 59.513 43.906 1.00 0.00 O +ATOM 6801 H1 WAT 1911 44.811 58.640 43.793 1.00 0.00 H +ATOM 6802 H2 WAT 1911 44.336 59.849 43.015 1.00 0.00 H +TER +ATOM 6803 O WAT 1912 38.565 57.885 39.367 1.00 0.00 O +ATOM 6804 H1 WAT 1912 38.671 58.786 39.674 1.00 0.00 H +ATOM 6805 H2 WAT 1912 37.654 57.837 39.077 1.00 0.00 H +TER +ATOM 6806 O WAT 1913 48.217 57.008 40.839 1.00 0.00 O +ATOM 6807 H1 WAT 1913 49.037 56.517 40.881 1.00 0.00 H +ATOM 6808 H2 WAT 1913 48.250 57.597 41.592 1.00 0.00 H +TER +ATOM 6809 O WAT 1914 36.213 59.807 44.613 1.00 0.00 O +ATOM 6810 H1 WAT 1914 36.894 60.071 45.231 1.00 0.00 H +ATOM 6811 H2 WAT 1914 35.898 58.967 44.947 1.00 0.00 H +TER +ATOM 6812 O WAT 1915 40.405 60.854 43.700 1.00 0.00 O +ATOM 6813 H1 WAT 1915 40.913 61.352 44.341 1.00 0.00 H +ATOM 6814 H2 WAT 1915 40.937 60.077 43.524 1.00 0.00 H +TER +ATOM 6815 O WAT 1916 52.506 59.024 47.403 1.00 0.00 O +ATOM 6816 H1 WAT 1916 51.802 59.413 46.884 1.00 0.00 H +ATOM 6817 H2 WAT 1916 52.772 59.719 48.005 1.00 0.00 H +TER +ATOM 6818 O WAT 1917 38.689 55.494 47.966 1.00 0.00 O +ATOM 6819 H1 WAT 1917 38.691 56.011 47.161 1.00 0.00 H +ATOM 6820 H2 WAT 1917 37.859 55.017 47.943 1.00 0.00 H +TER +ATOM 6821 O WAT 1918 45.076 65.606 39.465 1.00 0.00 O +ATOM 6822 H1 WAT 1918 44.458 66.071 38.902 1.00 0.00 H +ATOM 6823 H2 WAT 1918 45.588 66.298 39.882 1.00 0.00 H +TER +ATOM 6824 O WAT 1919 39.939 65.133 46.144 1.00 0.00 O +ATOM 6825 H1 WAT 1919 39.606 65.760 46.786 1.00 0.00 H +ATOM 6826 H2 WAT 1919 40.116 65.659 45.364 1.00 0.00 H +TER +ATOM 6827 O WAT 1920 48.453 58.948 43.611 1.00 0.00 O +ATOM 6828 H1 WAT 1920 47.748 59.236 44.192 1.00 0.00 H +ATOM 6829 H2 WAT 1920 48.814 59.758 43.251 1.00 0.00 H +TER +ATOM 6830 O WAT 1921 38.371 57.205 45.973 1.00 0.00 O +ATOM 6831 H1 WAT 1921 38.712 58.049 45.679 1.00 0.00 H +ATOM 6832 H2 WAT 1921 37.432 57.353 46.090 1.00 0.00 H +TER +ATOM 6833 O WAT 1922 39.151 67.101 47.959 1.00 0.00 O +ATOM 6834 H1 WAT 1922 39.769 67.776 47.677 1.00 0.00 H +ATOM 6835 H2 WAT 1922 38.291 67.510 47.867 1.00 0.00 H +TER +ATOM 6836 O WAT 1923 34.444 66.291 36.839 1.00 0.00 O +ATOM 6837 H1 WAT 1923 34.067 66.780 36.108 1.00 0.00 H +ATOM 6838 H2 WAT 1923 34.702 66.964 37.470 1.00 0.00 H +TER +ATOM 6839 O WAT 1924 51.521 58.393 44.002 1.00 0.00 O +ATOM 6840 H1 WAT 1924 50.574 58.427 44.134 1.00 0.00 H +ATOM 6841 H2 WAT 1924 51.846 59.207 44.387 1.00 0.00 H +TER +ATOM 6842 O WAT 1925 42.053 54.693 42.298 1.00 0.00 O +ATOM 6843 H1 WAT 1925 42.361 54.138 41.581 1.00 0.00 H +ATOM 6844 H2 WAT 1925 41.123 54.827 42.115 1.00 0.00 H +TER +ATOM 6845 O WAT 1926 48.899 67.131 39.678 1.00 0.00 O +ATOM 6846 H1 WAT 1926 48.789 66.189 39.803 1.00 0.00 H +ATOM 6847 H2 WAT 1926 48.896 67.493 40.564 1.00 0.00 H +TER +ATOM 6848 O WAT 1927 47.003 65.313 45.917 1.00 0.00 O +ATOM 6849 H1 WAT 1927 47.420 65.099 45.082 1.00 0.00 H +ATOM 6850 H2 WAT 1927 47.727 65.570 46.488 1.00 0.00 H +TER +ATOM 6851 O WAT 1928 44.441 62.758 39.034 1.00 0.00 O +ATOM 6852 H1 WAT 1928 43.514 62.692 39.263 1.00 0.00 H +ATOM 6853 H2 WAT 1928 44.594 63.696 38.919 1.00 0.00 H +TER +ATOM 6854 O WAT 1929 44.428 59.030 36.031 1.00 0.00 O +ATOM 6855 H1 WAT 1929 43.489 59.191 36.116 1.00 0.00 H +ATOM 6856 H2 WAT 1929 44.747 59.748 35.484 1.00 0.00 H +TER +ATOM 6857 O WAT 1930 50.950 63.711 46.008 1.00 0.00 O +ATOM 6858 H1 WAT 1930 50.121 63.781 45.534 1.00 0.00 H +ATOM 6859 H2 WAT 1930 51.545 64.297 45.540 1.00 0.00 H +TER +ATOM 6860 O WAT 1931 48.471 64.320 39.537 1.00 0.00 O +ATOM 6861 H1 WAT 1931 47.852 63.982 38.890 1.00 0.00 H +ATOM 6862 H2 WAT 1931 48.454 63.676 40.245 1.00 0.00 H +TER +ATOM 6863 O WAT 1932 47.914 60.498 46.954 1.00 0.00 O +ATOM 6864 H1 WAT 1932 47.501 61.324 47.208 1.00 0.00 H +ATOM 6865 H2 WAT 1932 47.181 59.913 46.762 1.00 0.00 H +TER +ATOM 6866 O WAT 1933 40.047 63.284 41.816 1.00 0.00 O +ATOM 6867 H1 WAT 1933 39.643 62.572 41.320 1.00 0.00 H +ATOM 6868 H2 WAT 1933 40.133 62.940 42.705 1.00 0.00 H +TER +ATOM 6869 O WAT 1934 40.515 66.971 43.980 1.00 0.00 O +ATOM 6870 H1 WAT 1934 40.218 66.366 43.301 1.00 0.00 H +ATOM 6871 H2 WAT 1934 41.465 67.009 43.869 1.00 0.00 H +TER +ATOM 6872 O WAT 1935 38.760 60.059 45.596 1.00 0.00 O +ATOM 6873 H1 WAT 1935 39.311 60.168 44.821 1.00 0.00 H +ATOM 6874 H2 WAT 1935 39.274 60.432 46.311 1.00 0.00 H +TER +ATOM 6875 O WAT 1936 39.607 66.709 50.631 1.00 0.00 O +ATOM 6876 H1 WAT 1936 38.710 66.933 50.878 1.00 0.00 H +ATOM 6877 H2 WAT 1936 39.632 66.833 49.682 1.00 0.00 H +TER +ATOM 6878 O WAT 1937 46.648 63.559 36.545 1.00 0.00 O +ATOM 6879 H1 WAT 1937 47.087 62.721 36.398 1.00 0.00 H +ATOM 6880 H2 WAT 1937 47.360 64.191 36.631 1.00 0.00 H +TER +ATOM 6881 O WAT 1938 38.434 63.581 49.206 1.00 0.00 O +ATOM 6882 H1 WAT 1938 38.295 64.453 49.575 1.00 0.00 H +ATOM 6883 H2 WAT 1938 37.552 63.238 49.061 1.00 0.00 H +TER +ATOM 6884 O WAT 1939 50.229 54.813 34.859 1.00 0.00 O +ATOM 6885 H1 WAT 1939 49.917 54.905 35.759 1.00 0.00 H +ATOM 6886 H2 WAT 1939 50.991 55.391 34.809 1.00 0.00 H +TER +ATOM 6887 O WAT 1940 36.748 62.179 39.317 1.00 0.00 O +ATOM 6888 H1 WAT 1940 36.627 62.905 38.705 1.00 0.00 H +ATOM 6889 H2 WAT 1940 36.438 61.409 38.839 1.00 0.00 H +TER +ATOM 6890 O WAT 1941 34.386 65.350 45.123 1.00 0.00 O +ATOM 6891 H1 WAT 1941 34.464 65.485 44.179 1.00 0.00 H +ATOM 6892 H2 WAT 1941 35.000 64.642 45.316 1.00 0.00 H +TER +ATOM 6893 O WAT 1942 35.631 67.050 41.534 1.00 0.00 O +ATOM 6894 H1 WAT 1942 35.224 67.192 40.679 1.00 0.00 H +ATOM 6895 H2 WAT 1942 36.522 66.766 41.331 1.00 0.00 H +TER +ATOM 6896 O WAT 1943 51.587 67.497 49.871 1.00 0.00 O +ATOM 6897 H1 WAT 1943 51.713 67.258 48.953 1.00 0.00 H +ATOM 6898 H2 WAT 1943 51.629 66.665 50.343 1.00 0.00 H +TER +ATOM 6899 O WAT 1944 51.439 59.550 50.836 1.00 0.00 O +ATOM 6900 H1 WAT 1944 50.824 60.058 50.308 1.00 0.00 H +ATOM 6901 H2 WAT 1944 51.119 58.650 50.779 1.00 0.00 H +TER +ATOM 6902 O WAT 1945 34.442 66.392 47.663 1.00 0.00 O +ATOM 6903 H1 WAT 1945 34.605 65.922 46.845 1.00 0.00 H +ATOM 6904 H2 WAT 1945 34.907 65.884 48.328 1.00 0.00 H +TER +ATOM 6905 O WAT 1946 39.214 55.522 42.699 1.00 0.00 O +ATOM 6906 H1 WAT 1946 38.771 56.303 42.367 1.00 0.00 H +ATOM 6907 H2 WAT 1946 39.772 55.845 43.406 1.00 0.00 H +TER +ATOM 6908 O WAT 1947 43.501 58.389 48.302 1.00 0.00 O +ATOM 6909 H1 WAT 1947 43.039 58.597 49.114 1.00 0.00 H +ATOM 6910 H2 WAT 1947 43.099 57.575 47.999 1.00 0.00 H +TER +ATOM 6911 O WAT 1948 48.501 59.610 49.432 1.00 0.00 O +ATOM 6912 H1 WAT 1948 47.651 59.311 49.753 1.00 0.00 H +ATOM 6913 H2 WAT 1948 48.341 59.854 48.520 1.00 0.00 H +TER +ATOM 6914 O WAT 1949 45.596 61.110 51.532 1.00 0.00 O +ATOM 6915 H1 WAT 1949 45.922 60.277 51.192 1.00 0.00 H +ATOM 6916 H2 WAT 1949 46.384 61.633 51.680 1.00 0.00 H +TER +ATOM 6917 O WAT 1950 42.330 55.143 37.579 1.00 0.00 O +ATOM 6918 H1 WAT 1950 41.705 55.139 38.305 1.00 0.00 H +ATOM 6919 H2 WAT 1950 42.243 54.276 37.183 1.00 0.00 H +TER +ATOM 6920 O WAT 1951 41.251 56.067 44.558 1.00 0.00 O +ATOM 6921 H1 WAT 1951 41.549 56.973 44.477 1.00 0.00 H +ATOM 6922 H2 WAT 1951 41.800 55.579 43.944 1.00 0.00 H +TER +ATOM 6923 O WAT 1952 39.005 60.646 40.427 1.00 0.00 O +ATOM 6924 H1 WAT 1952 38.779 60.429 41.332 1.00 0.00 H +ATOM 6925 H2 WAT 1952 38.225 61.078 40.082 1.00 0.00 H +TER +ATOM 6926 O WAT 1953 46.235 60.652 39.026 1.00 0.00 O +ATOM 6927 H1 WAT 1953 45.636 61.376 38.842 1.00 0.00 H +ATOM 6928 H2 WAT 1953 46.783 60.590 38.244 1.00 0.00 H +TER +ATOM 6929 O WAT 1954 41.445 61.544 51.093 1.00 0.00 O +ATOM 6930 H1 WAT 1954 41.350 60.604 50.943 1.00 0.00 H +ATOM 6931 H2 WAT 1954 42.288 61.766 50.698 1.00 0.00 H +TER +ATOM 6932 O WAT 1955 44.842 59.288 41.056 1.00 0.00 O +ATOM 6933 H1 WAT 1955 45.235 59.606 40.243 1.00 0.00 H +ATOM 6934 H2 WAT 1955 45.203 58.410 41.171 1.00 0.00 H +TER +ATOM 6935 O WAT 1956 36.576 57.956 49.246 1.00 0.00 O +ATOM 6936 H1 WAT 1956 36.183 58.803 49.454 1.00 0.00 H +ATOM 6937 H2 WAT 1956 35.888 57.318 49.437 1.00 0.00 H +TER +ATOM 6938 O WAT 1957 43.151 58.039 52.316 1.00 0.00 O +ATOM 6939 H1 WAT 1957 42.461 57.846 52.951 1.00 0.00 H +ATOM 6940 H2 WAT 1957 43.894 58.323 52.849 1.00 0.00 H +TER +ATOM 6941 O WAT 1958 33.878 55.878 43.279 1.00 0.00 O +ATOM 6942 H1 WAT 1958 33.589 56.449 43.992 1.00 0.00 H +ATOM 6943 H2 WAT 1958 34.623 55.399 43.643 1.00 0.00 H +TER +ATOM 6944 O WAT 1959 34.065 59.820 34.490 1.00 0.00 O +ATOM 6945 H1 WAT 1959 33.982 60.764 34.631 1.00 0.00 H +ATOM 6946 H2 WAT 1959 33.713 59.678 33.611 1.00 0.00 H +TER +ATOM 6947 O WAT 1960 45.427 61.879 45.151 1.00 0.00 O +ATOM 6948 H1 WAT 1960 44.695 62.388 45.500 1.00 0.00 H +ATOM 6949 H2 WAT 1960 45.030 61.062 44.850 1.00 0.00 H +TER +ATOM 6950 O WAT 1961 41.865 58.554 43.557 1.00 0.00 O +ATOM 6951 H1 WAT 1961 41.868 58.113 42.707 1.00 0.00 H +ATOM 6952 H2 WAT 1961 42.760 58.876 43.664 1.00 0.00 H +TER +ATOM 6953 O WAT 1962 37.715 58.437 42.516 1.00 0.00 O +ATOM 6954 H1 WAT 1962 37.375 58.914 43.273 1.00 0.00 H +ATOM 6955 H2 WAT 1962 36.953 57.983 42.156 1.00 0.00 H +TER +ATOM 6956 O WAT 1963 41.927 59.556 36.547 1.00 0.00 O +ATOM 6957 H1 WAT 1963 42.048 59.514 37.496 1.00 0.00 H +ATOM 6958 H2 WAT 1963 41.542 60.418 36.392 1.00 0.00 H +TER +ATOM 6959 O WAT 1964 45.890 57.332 44.564 1.00 0.00 O +ATOM 6960 H1 WAT 1964 45.907 57.783 45.408 1.00 0.00 H +ATOM 6961 H2 WAT 1964 45.641 56.433 44.777 1.00 0.00 H +TER +ATOM 6962 O WAT 1965 40.939 61.866 35.946 1.00 0.00 O +ATOM 6963 H1 WAT 1965 40.371 61.417 35.319 1.00 0.00 H +ATOM 6964 H2 WAT 1965 41.648 62.225 35.412 1.00 0.00 H +TER +ATOM 6965 O WAT 1966 49.317 54.745 50.402 1.00 0.00 O +ATOM 6966 H1 WAT 1966 49.641 54.014 50.928 1.00 0.00 H +ATOM 6967 H2 WAT 1966 49.352 54.427 49.501 1.00 0.00 H +TER +ATOM 6968 O WAT 1967 36.016 65.767 49.822 1.00 0.00 O +ATOM 6969 H1 WAT 1967 35.631 65.126 50.421 1.00 0.00 H +ATOM 6970 H2 WAT 1967 36.327 66.470 50.392 1.00 0.00 H +TER +ATOM 6971 O WAT 1968 42.166 62.615 45.303 1.00 0.00 O +ATOM 6972 H1 WAT 1968 42.533 62.140 46.049 1.00 0.00 H +ATOM 6973 H2 WAT 1968 41.976 63.489 45.644 1.00 0.00 H +TER +ATOM 6974 O WAT 1969 35.030 57.359 41.433 1.00 0.00 O +ATOM 6975 H1 WAT 1969 34.744 56.994 42.270 1.00 0.00 H +ATOM 6976 H2 WAT 1969 34.968 56.627 40.819 1.00 0.00 H +TER +ATOM 6977 O WAT 1970 39.956 61.655 47.622 1.00 0.00 O +ATOM 6978 H1 WAT 1970 39.651 62.535 47.847 1.00 0.00 H +ATOM 6979 H2 WAT 1970 40.910 61.715 47.657 1.00 0.00 H +TER +ATOM 6980 O WAT 1971 38.484 65.861 38.218 1.00 0.00 O +ATOM 6981 H1 WAT 1971 37.710 65.321 38.058 1.00 0.00 H +ATOM 6982 H2 WAT 1971 39.213 65.342 37.880 1.00 0.00 H +TER +ATOM 6983 O WAT 1972 49.243 64.858 44.011 1.00 0.00 O +ATOM 6984 H1 WAT 1972 49.962 65.354 43.621 1.00 0.00 H +ATOM 6985 H2 WAT 1972 49.041 64.180 43.366 1.00 0.00 H +TER +ATOM 6986 O WAT 1973 44.704 56.252 38.154 1.00 0.00 O +ATOM 6987 H1 WAT 1973 43.890 55.753 38.078 1.00 0.00 H +ATOM 6988 H2 WAT 1973 44.510 57.092 37.738 1.00 0.00 H +TER +ATOM 6989 O WAT 1974 44.624 64.929 49.898 1.00 0.00 O +ATOM 6990 H1 WAT 1974 44.558 64.008 49.644 1.00 0.00 H +ATOM 6991 H2 WAT 1974 43.995 65.026 50.612 1.00 0.00 H +TER +ATOM 6992 O WAT 1975 47.418 60.624 36.450 1.00 0.00 O +ATOM 6993 H1 WAT 1975 48.306 60.935 36.275 1.00 0.00 H +ATOM 6994 H2 WAT 1975 47.389 59.751 36.058 1.00 0.00 H +TER +ATOM 6995 O WAT 1976 38.527 65.530 41.856 1.00 0.00 O +ATOM 6996 H1 WAT 1976 39.045 64.726 41.802 1.00 0.00 H +ATOM 6997 H2 WAT 1976 38.076 65.467 42.698 1.00 0.00 H +TER +ATOM 6998 O WAT 1977 43.414 66.796 37.129 1.00 0.00 O +ATOM 6999 H1 WAT 1977 43.756 67.540 36.633 1.00 0.00 H +ATOM 7000 H2 WAT 1977 42.586 67.109 37.491 1.00 0.00 H +TER +ATOM 7001 O WAT 1978 36.012 62.496 48.769 1.00 0.00 O +ATOM 7002 H1 WAT 1978 35.653 63.161 49.356 1.00 0.00 H +ATOM 7003 H2 WAT 1978 35.717 61.664 49.140 1.00 0.00 H +TER +ATOM 7004 O WAT 1979 39.213 62.954 51.653 1.00 0.00 O +ATOM 7005 H1 WAT 1979 38.913 63.100 50.756 1.00 0.00 H +ATOM 7006 H2 WAT 1979 39.984 62.395 51.560 1.00 0.00 H +TER +ATOM 7007 O WAT 1980 44.556 67.751 49.648 1.00 0.00 O +ATOM 7008 H1 WAT 1980 44.571 66.819 49.430 1.00 0.00 H +ATOM 7009 H2 WAT 1980 43.849 67.837 50.287 1.00 0.00 H +TER +ATOM 7010 O WAT 1981 49.690 61.935 35.918 1.00 0.00 O +ATOM 7011 H1 WAT 1981 49.606 62.366 35.068 1.00 0.00 H +ATOM 7012 H2 WAT 1981 50.409 62.395 36.351 1.00 0.00 H +TER +ATOM 7013 O WAT 1982 50.767 64.392 48.995 1.00 0.00 O +ATOM 7014 H1 WAT 1982 50.042 64.985 48.798 1.00 0.00 H +ATOM 7015 H2 WAT 1982 51.295 64.384 48.196 1.00 0.00 H +TER +ATOM 7016 O WAT 1983 46.297 66.118 42.494 1.00 0.00 O +ATOM 7017 H1 WAT 1983 46.650 65.521 41.834 1.00 0.00 H +ATOM 7018 H2 WAT 1983 45.413 65.792 42.664 1.00 0.00 H +TER +ATOM 7019 O WAT 1984 42.383 66.877 39.901 1.00 0.00 O +ATOM 7020 H1 WAT 1984 43.071 67.424 40.281 1.00 0.00 H +ATOM 7021 H2 WAT 1984 41.597 67.422 39.936 1.00 0.00 H +TER +ATOM 7022 O WAT 1985 34.523 62.495 35.392 1.00 0.00 O +ATOM 7023 H1 WAT 1985 35.392 62.777 35.676 1.00 0.00 H +ATOM 7024 H2 WAT 1985 34.032 63.308 35.277 1.00 0.00 H +TER +ATOM 7025 O WAT 1986 41.686 63.882 39.513 1.00 0.00 O +ATOM 7026 H1 WAT 1986 42.142 64.693 39.739 1.00 0.00 H +ATOM 7027 H2 WAT 1986 41.335 63.564 40.345 1.00 0.00 H +TER +ATOM 7028 O WAT 1987 37.587 54.226 39.985 1.00 0.00 O +ATOM 7029 H1 WAT 1987 37.459 54.218 40.934 1.00 0.00 H +ATOM 7030 H2 WAT 1987 36.764 54.564 39.634 1.00 0.00 H +TER +ATOM 7031 O WAT 1988 49.108 67.681 35.184 1.00 0.00 O +ATOM 7032 H1 WAT 1988 48.882 66.964 35.776 1.00 0.00 H +ATOM 7033 H2 WAT 1988 48.718 67.432 34.346 1.00 0.00 H +TER +ATOM 7034 O WAT 1989 34.587 55.985 49.446 1.00 0.00 O +ATOM 7035 H1 WAT 1989 33.873 56.185 50.051 1.00 0.00 H +ATOM 7036 H2 WAT 1989 35.006 55.209 49.818 1.00 0.00 H +TER +ATOM 7037 O WAT 1990 48.690 65.598 36.845 1.00 0.00 O +ATOM 7038 H1 WAT 1990 48.402 66.059 37.633 1.00 0.00 H +ATOM 7039 H2 WAT 1990 49.485 65.138 37.114 1.00 0.00 H +TER +ATOM 7040 O WAT 1991 36.507 64.312 37.520 1.00 0.00 O +ATOM 7041 H1 WAT 1991 35.900 65.052 37.530 1.00 0.00 H +ATOM 7042 H2 WAT 1991 36.982 64.402 36.694 1.00 0.00 H +TER +ATOM 7043 O WAT 1992 46.081 58.477 47.196 1.00 0.00 O +ATOM 7044 H1 WAT 1992 46.449 57.657 47.524 1.00 0.00 H +ATOM 7045 H2 WAT 1992 45.220 58.537 47.612 1.00 0.00 H +TER +ATOM 7046 O WAT 1993 49.447 57.433 38.005 1.00 0.00 O +ATOM 7047 H1 WAT 1993 48.818 57.537 37.291 1.00 0.00 H +ATOM 7048 H2 WAT 1993 48.952 57.653 38.794 1.00 0.00 H +TER +ATOM 7049 O WAT 1994 41.415 59.711 39.421 1.00 0.00 O +ATOM 7050 H1 WAT 1994 40.707 60.180 39.862 1.00 0.00 H +ATOM 7051 H2 WAT 1994 41.700 59.054 40.055 1.00 0.00 H +TER +ATOM 7052 O WAT 1995 43.041 61.131 47.420 1.00 0.00 O +ATOM 7053 H1 WAT 1995 43.539 61.606 48.085 1.00 0.00 H +ATOM 7054 H2 WAT 1995 43.183 60.208 47.627 1.00 0.00 H +TER +ATOM 7055 O WAT 1996 45.447 56.437 40.860 1.00 0.00 O +ATOM 7056 H1 WAT 1996 45.324 56.455 39.911 1.00 0.00 H +ATOM 7057 H2 WAT 1996 46.395 56.484 40.980 1.00 0.00 H +TER +ATOM 7058 O WAT 1997 39.619 58.020 36.796 1.00 0.00 O +ATOM 7059 H1 WAT 1997 40.468 58.457 36.730 1.00 0.00 H +ATOM 7060 H2 WAT 1997 39.252 58.332 37.623 1.00 0.00 H +TER +ATOM 7061 O WAT 1998 50.248 57.348 48.263 1.00 0.00 O +ATOM 7062 H1 WAT 1998 49.745 58.088 48.602 1.00 0.00 H +ATOM 7063 H2 WAT 1998 51.063 57.736 47.946 1.00 0.00 H +TER +ATOM 7064 O WAT 1999 48.540 62.591 41.709 1.00 0.00 O +ATOM 7065 H1 WAT 1999 47.599 62.606 41.884 1.00 0.00 H +ATOM 7066 H2 WAT 1999 48.854 61.805 42.155 1.00 0.00 H +TER +ATOM 7067 O WAT 2000 38.518 64.273 35.269 1.00 0.00 O +ATOM 7068 H1 WAT 2000 39.284 64.161 35.832 1.00 0.00 H +ATOM 7069 H2 WAT 2000 38.595 63.577 34.617 1.00 0.00 H +TER +ATOM 7070 O WAT 2001 37.213 61.706 35.953 1.00 0.00 O +ATOM 7071 H1 WAT 2001 37.293 60.758 36.064 1.00 0.00 H +ATOM 7072 H2 WAT 2001 38.105 62.036 36.059 1.00 0.00 H +TER +ATOM 7073 O WAT 2002 45.856 67.148 52.192 1.00 0.00 O +ATOM 7074 H1 WAT 2002 45.250 67.171 51.452 1.00 0.00 H +ATOM 7075 H2 WAT 2002 45.552 66.416 52.729 1.00 0.00 H +TER +ATOM 7076 O WAT 2003 34.740 63.527 51.188 1.00 0.00 O +ATOM 7077 H1 WAT 2003 35.244 62.948 51.760 1.00 0.00 H +ATOM 7078 H2 WAT 2003 34.000 63.811 51.726 1.00 0.00 H +TER +ATOM 7079 O WAT 2004 41.642 66.249 34.743 1.00 0.00 O +ATOM 7080 H1 WAT 2004 41.537 65.634 35.469 1.00 0.00 H +ATOM 7081 H2 WAT 2004 41.474 65.725 33.959 1.00 0.00 H +TER +ATOM 7082 O WAT 2005 41.793 64.934 50.722 1.00 0.00 O +ATOM 7083 H1 WAT 2005 41.028 65.503 50.637 1.00 0.00 H +ATOM 7084 H2 WAT 2005 41.975 64.642 49.829 1.00 0.00 H +TER +ATOM 7085 O WAT 2006 44.882 65.311 35.347 1.00 0.00 O +ATOM 7086 H1 WAT 2006 44.333 65.758 35.991 1.00 0.00 H +ATOM 7087 H2 WAT 2006 45.504 64.806 35.871 1.00 0.00 H +TER +ATOM 7088 O WAT 2007 48.936 66.665 51.279 1.00 0.00 O +ATOM 7089 H1 WAT 2007 49.677 67.002 50.776 1.00 0.00 H +ATOM 7090 H2 WAT 2007 48.173 66.834 50.726 1.00 0.00 H +TER +ATOM 7091 O WAT 2008 36.772 61.670 52.083 1.00 0.00 O +ATOM 7092 H1 WAT 2008 36.813 61.372 52.992 1.00 0.00 H +ATOM 7093 H2 WAT 2008 37.627 62.071 51.924 1.00 0.00 H +TER +ATOM 7094 O WAT 2009 40.550 64.270 37.244 1.00 0.00 O +ATOM 7095 H1 WAT 2009 40.971 64.104 38.087 1.00 0.00 H +ATOM 7096 H2 WAT 2009 40.675 63.460 36.749 1.00 0.00 H +TER +ATOM 7097 O WAT 2010 38.713 60.249 50.051 1.00 0.00 O +ATOM 7098 H1 WAT 2010 38.182 59.758 49.423 1.00 0.00 H +ATOM 7099 H2 WAT 2010 39.381 60.678 49.516 1.00 0.00 H +TER +ATOM 7100 O WAT 2011 43.063 63.294 34.491 1.00 0.00 O +ATOM 7101 H1 WAT 2011 43.583 62.578 34.125 1.00 0.00 H +ATOM 7102 H2 WAT 2011 43.709 63.932 34.791 1.00 0.00 H +TER +ATOM 7103 O WAT 2012 47.610 64.716 49.815 1.00 0.00 O +ATOM 7104 H1 WAT 2012 48.024 64.871 50.664 1.00 0.00 H +ATOM 7105 H2 WAT 2012 46.675 64.842 49.977 1.00 0.00 H +TER +ATOM 7106 O WAT 2013 48.083 62.056 51.819 1.00 0.00 O +ATOM 7107 H1 WAT 2013 48.665 61.301 51.731 1.00 0.00 H +ATOM 7108 H2 WAT 2013 48.259 62.587 51.042 1.00 0.00 H +TER +ATOM 7109 O WAT 2014 39.200 57.216 50.130 1.00 0.00 O +ATOM 7110 H1 WAT 2014 39.105 56.598 49.406 1.00 0.00 H +ATOM 7111 H2 WAT 2014 38.620 57.942 49.903 1.00 0.00 H +TER +ATOM 7112 O WAT 2015 41.966 55.773 47.163 1.00 0.00 O +ATOM 7113 H1 WAT 2015 41.518 55.795 46.318 1.00 0.00 H +ATOM 7114 H2 WAT 2015 41.332 55.375 47.760 1.00 0.00 H +TER +ATOM 7115 O WAT 2016 42.372 64.668 47.784 1.00 0.00 O +ATOM 7116 H1 WAT 2016 42.791 65.512 47.612 1.00 0.00 H +ATOM 7117 H2 WAT 2016 41.453 64.806 47.555 1.00 0.00 H +TER +ATOM 7118 O WAT 2017 44.708 62.400 49.168 1.00 0.00 O +ATOM 7119 H1 WAT 2017 44.828 61.804 49.908 1.00 0.00 H +ATOM 7120 H2 WAT 2017 45.568 62.437 48.748 1.00 0.00 H +TER +ATOM 7121 O WAT 2018 47.047 62.954 47.744 1.00 0.00 O +ATOM 7122 H1 WAT 2018 46.521 63.478 47.141 1.00 0.00 H +ATOM 7123 H2 WAT 2018 47.390 63.586 48.375 1.00 0.00 H +TER +ATOM 7124 O WAT 2019 39.446 60.343 34.189 1.00 0.00 O +ATOM 7125 H1 WAT 2019 39.245 59.480 34.551 1.00 0.00 H +ATOM 7126 H2 WAT 2019 39.275 60.256 33.252 1.00 0.00 H +TER +ATOM 7127 O WAT 2020 41.475 58.942 50.426 1.00 0.00 O +ATOM 7128 H1 WAT 2020 42.065 58.634 51.114 1.00 0.00 H +ATOM 7129 H2 WAT 2020 40.657 58.470 50.582 1.00 0.00 H +TER +ATOM 7130 O WAT 2021 46.295 58.559 50.659 1.00 0.00 O +ATOM 7131 H1 WAT 2021 45.606 57.897 50.594 1.00 0.00 H +ATOM 7132 H2 WAT 2021 47.015 58.113 51.104 1.00 0.00 H +TER +ATOM 7133 O WAT 2022 46.925 55.154 36.718 1.00 0.00 O +ATOM 7134 H1 WAT 2022 47.205 54.311 37.074 1.00 0.00 H +ATOM 7135 H2 WAT 2022 46.151 55.386 37.232 1.00 0.00 H +TER +ATOM 7136 O WAT 2023 38.244 57.443 34.177 1.00 0.00 O +ATOM 7137 H1 WAT 2023 38.547 57.450 33.269 1.00 0.00 H +ATOM 7138 H2 WAT 2023 38.983 57.093 34.674 1.00 0.00 H +TER +ATOM 7139 O WAT 2024 41.462 56.387 35.163 1.00 0.00 O +ATOM 7140 H1 WAT 2024 41.115 55.709 34.583 1.00 0.00 H +ATOM 7141 H2 WAT 2024 41.664 55.926 35.977 1.00 0.00 H +TER +ATOM 7142 O WAT 2025 37.267 66.747 35.010 1.00 0.00 O +ATOM 7143 H1 WAT 2025 37.704 67.290 35.666 1.00 0.00 H +ATOM 7144 H2 WAT 2025 37.752 65.922 35.020 1.00 0.00 H +TER +ATOM 7145 O WAT 2026 39.078 67.867 40.122 1.00 0.00 O +ATOM 7146 H1 WAT 2026 38.777 67.744 41.023 1.00 0.00 H +ATOM 7147 H2 WAT 2026 38.972 67.008 39.714 1.00 0.00 H +TER +ATOM 7148 O WAT 2027 51.303 64.392 37.328 1.00 0.00 O +ATOM 7149 H1 WAT 2027 52.065 64.961 37.434 1.00 0.00 H +ATOM 7150 H2 WAT 2027 51.318 63.824 38.099 1.00 0.00 H +TER +ATOM 7151 O WAT 2028 34.803 62.915 41.559 1.00 0.00 O +ATOM 7152 H1 WAT 2028 34.148 62.647 40.915 1.00 0.00 H +ATOM 7153 H2 WAT 2028 35.641 62.806 41.109 1.00 0.00 H +TER +ATOM 7154 O WAT 2029 52.309 65.247 42.173 1.00 0.00 O +ATOM 7155 H1 WAT 2029 52.679 64.463 41.766 1.00 0.00 H +ATOM 7156 H2 WAT 2029 52.949 65.935 41.994 1.00 0.00 H +TER +ATOM 7157 O WAT 2030 49.292 66.630 47.586 1.00 0.00 O +ATOM 7158 H1 WAT 2030 48.478 67.060 47.848 1.00 0.00 H +ATOM 7159 H2 WAT 2030 49.699 67.242 46.973 1.00 0.00 H +TER +ATOM 7160 O WAT 2031 51.355 64.685 34.486 1.00 0.00 O +ATOM 7161 H1 WAT 2031 51.629 65.593 34.358 1.00 0.00 H +ATOM 7162 H2 WAT 2031 51.166 64.621 35.422 1.00 0.00 H +TER +ATOM 7163 O WAT 2032 47.752 57.709 35.781 1.00 0.00 O +ATOM 7164 H1 WAT 2032 48.171 57.523 34.941 1.00 0.00 H +ATOM 7165 H2 WAT 2032 47.446 56.857 36.091 1.00 0.00 H +TER +ATOM 7166 O WAT 2033 51.251 62.622 39.479 1.00 0.00 O +ATOM 7167 H1 WAT 2033 50.875 61.855 39.047 1.00 0.00 H +ATOM 7168 H2 WAT 2033 50.521 63.004 39.966 1.00 0.00 H +TER +ATOM 7169 O WAT 2034 35.841 63.301 46.100 1.00 0.00 O +ATOM 7170 H1 WAT 2034 36.208 63.213 46.979 1.00 0.00 H +ATOM 7171 H2 WAT 2034 35.272 62.537 46.000 1.00 0.00 H +TER +ATOM 7172 O WAT 2035 50.641 61.769 49.113 1.00 0.00 O +ATOM 7173 H1 WAT 2035 50.410 61.540 48.212 1.00 0.00 H +ATOM 7174 H2 WAT 2035 50.901 62.689 49.067 1.00 0.00 H +TER +ATOM 7175 O WAT 2036 35.392 60.212 50.005 1.00 0.00 O +ATOM 7176 H1 WAT 2036 34.498 60.178 50.345 1.00 0.00 H +ATOM 7177 H2 WAT 2036 35.932 60.410 50.771 1.00 0.00 H +TER +ATOM 7178 O WAT 2037 49.080 56.995 51.891 1.00 0.00 O +ATOM 7179 H1 WAT 2037 49.957 57.003 52.274 1.00 0.00 H +ATOM 7180 H2 WAT 2037 49.092 56.258 51.280 1.00 0.00 H +TER +ATOM 7181 O WAT 2038 34.017 60.125 37.502 1.00 0.00 O +ATOM 7182 H1 WAT 2038 33.113 60.388 37.327 1.00 0.00 H +ATOM 7183 H2 WAT 2038 34.501 60.396 36.722 1.00 0.00 H +TER +ATOM 7184 O WAT 2039 50.526 60.848 42.779 1.00 0.00 O +ATOM 7185 H1 WAT 2039 51.050 60.354 42.148 1.00 0.00 H +ATOM 7186 H2 WAT 2039 51.112 60.983 43.524 1.00 0.00 H +TER +ATOM 7187 O WAT 2040 50.705 60.932 46.301 1.00 0.00 O +ATOM 7188 H1 WAT 2040 49.755 60.898 46.416 1.00 0.00 H +ATOM 7189 H2 WAT 2040 50.886 61.842 46.066 1.00 0.00 H +TER +ATOM 7190 O WAT 2041 36.560 59.182 35.411 1.00 0.00 O +ATOM 7191 H1 WAT 2041 37.269 58.760 34.926 1.00 0.00 H +ATOM 7192 H2 WAT 2041 35.844 59.249 34.780 1.00 0.00 H +TER +ATOM 7193 O WAT 2042 36.207 55.236 34.452 1.00 0.00 O +ATOM 7194 H1 WAT 2042 36.930 55.777 34.770 1.00 0.00 H +ATOM 7195 H2 WAT 2042 36.479 54.962 33.576 1.00 0.00 H +TER +ATOM 7196 O WAT 2043 50.016 60.105 38.719 1.00 0.00 O +ATOM 7197 H1 WAT 2043 50.512 59.872 39.504 1.00 0.00 H +ATOM 7198 H2 WAT 2043 49.818 59.266 38.302 1.00 0.00 H +TER +ATOM 7199 O WAT 2044 35.896 54.486 44.354 1.00 0.00 O +ATOM 7200 H1 WAT 2044 36.544 53.936 43.913 1.00 0.00 H +ATOM 7201 H2 WAT 2044 36.316 54.741 45.175 1.00 0.00 H +TER +ATOM 7202 O WAT 2045 51.445 58.741 41.252 1.00 0.00 O +ATOM 7203 H1 WAT 2045 51.335 58.587 42.191 1.00 0.00 H +ATOM 7204 H2 WAT 2045 52.206 58.213 41.010 1.00 0.00 H +TER +ATOM 7205 O WAT 2046 49.791 54.680 47.711 1.00 0.00 O +ATOM 7206 H1 WAT 2046 50.429 55.294 48.077 1.00 0.00 H +ATOM 7207 H2 WAT 2046 49.939 54.717 46.766 1.00 0.00 H +TER +ATOM 7208 O WAT 2047 52.334 56.572 34.493 1.00 0.00 O +ATOM 7209 H1 WAT 2047 53.259 56.440 34.285 1.00 0.00 H +ATOM 7210 H2 WAT 2047 52.311 56.651 35.447 1.00 0.00 H +TER +ATOM 7211 O WAT 2048 52.408 57.343 37.119 1.00 0.00 O +ATOM 7212 H1 WAT 2048 51.613 57.277 37.648 1.00 0.00 H +ATOM 7213 H2 WAT 2048 52.612 58.278 37.107 1.00 0.00 H +TER +ATOM 7214 O WAT 2049 35.649 54.642 47.096 1.00 0.00 O +ATOM 7215 H1 WAT 2049 35.301 55.098 47.862 1.00 0.00 H +ATOM 7216 H2 WAT 2049 35.318 53.748 47.179 1.00 0.00 H +TER +ATOM 7217 O WAT 2050 43.162 55.833 50.618 1.00 0.00 O +ATOM 7218 H1 WAT 2050 43.101 56.425 51.368 1.00 0.00 H +ATOM 7219 H2 WAT 2050 44.102 55.726 50.473 1.00 0.00 H +TER +ATOM 7220 O WAT 2051 45.799 55.490 50.257 1.00 0.00 O +ATOM 7221 H1 WAT 2051 46.413 55.808 49.596 1.00 0.00 H +ATOM 7222 H2 WAT 2051 46.344 55.005 50.877 1.00 0.00 H +TER +ATOM 7223 O WAT 2052 36.321 54.170 50.371 1.00 0.00 O +ATOM 7224 H1 WAT 2052 36.870 53.988 49.608 1.00 0.00 H +ATOM 7225 H2 WAT 2052 36.387 53.379 50.907 1.00 0.00 H +TER +ATOM 7226 O WAT 2053 46.540 54.053 46.584 1.00 0.00 O +ATOM 7227 H1 WAT 2053 45.666 54.387 46.382 1.00 0.00 H +ATOM 7228 H2 WAT 2053 46.431 53.581 47.410 1.00 0.00 H +TER +ATOM 7229 O WAT 2054 47.447 56.260 47.969 1.00 0.00 O +ATOM 7230 H1 WAT 2054 47.119 55.446 47.589 1.00 0.00 H +ATOM 7231 H2 WAT 2054 48.396 56.217 47.845 1.00 0.00 H +TER +ATOM 7232 O WAT 2055 44.288 54.970 45.524 1.00 0.00 O +ATOM 7233 H1 WAT 2055 43.505 55.445 45.803 1.00 0.00 H +ATOM 7234 H2 WAT 2055 43.994 54.066 45.415 1.00 0.00 H +TER +ATOM 7235 O WAT 2056 48.840 55.673 43.569 1.00 0.00 O +ATOM 7236 H1 WAT 2056 49.281 55.617 42.721 1.00 0.00 H +ATOM 7237 H2 WAT 2056 48.571 56.588 43.640 1.00 0.00 H +TER +ATOM 7238 O WAT 2057 50.704 55.304 41.579 1.00 0.00 O +ATOM 7239 H1 WAT 2057 50.642 54.360 41.433 1.00 0.00 H +ATOM 7240 H2 WAT 2057 51.483 55.412 42.125 1.00 0.00 H +TER +ATOM 7241 O WAT 2058 35.632 55.275 38.045 1.00 0.00 O +ATOM 7242 H1 WAT 2058 36.390 55.388 37.471 1.00 0.00 H +ATOM 7243 H2 WAT 2058 35.169 56.112 37.999 1.00 0.00 H +TER +ATOM 7244 O WAT 2059 42.173 57.389 41.035 1.00 0.00 O +ATOM 7245 H1 WAT 2059 41.361 57.015 40.695 1.00 0.00 H +ATOM 7246 H2 WAT 2059 42.677 56.633 41.337 1.00 0.00 H +TER +ATOM 7247 O WAT 2060 46.676 54.053 42.274 1.00 0.00 O +ATOM 7248 H1 WAT 2060 47.278 54.625 42.748 1.00 0.00 H +ATOM 7249 H2 WAT 2060 45.935 54.617 42.051 1.00 0.00 H +TER +ATOM 7250 O WAT 2061 49.819 54.455 37.548 1.00 0.00 O +ATOM 7251 H1 WAT 2061 50.014 55.354 37.814 1.00 0.00 H +ATOM 7252 H2 WAT 2061 49.032 54.224 38.041 1.00 0.00 H +TER +ATOM 7253 O WAT 2062 38.004 55.801 36.585 1.00 0.00 O +ATOM 7254 H1 WAT 2062 38.533 55.014 36.456 1.00 0.00 H +ATOM 7255 H2 WAT 2062 38.637 56.481 36.819 1.00 0.00 H +TER +ATOM 7256 O WAT 2063 40.198 55.539 39.640 1.00 0.00 O +ATOM 7257 H1 WAT 2063 39.568 54.838 39.807 1.00 0.00 H +ATOM 7258 H2 WAT 2063 39.658 56.299 39.423 1.00 0.00 H +TER +ATOM 7259 O WAT 2064 40.324 54.817 52.075 1.00 0.00 O +ATOM 7260 H1 WAT 2064 40.042 55.321 51.311 1.00 0.00 H +ATOM 7261 H2 WAT 2064 40.706 54.020 51.709 1.00 0.00 H +TER +ATOM 7262 O WAT 2065 46.925 54.233 52.653 1.00 0.00 O +ATOM 7263 H1 WAT 2065 46.812 54.552 53.548 1.00 0.00 H +ATOM 7264 H2 WAT 2065 47.742 54.634 52.357 1.00 0.00 H +TER +ATOM 7265 O WAT 2066 45.831 62.252 23.017 1.00 0.00 O +ATOM 7266 H1 WAT 2066 45.750 61.337 22.746 1.00 0.00 H +ATOM 7267 H2 WAT 2066 45.417 62.749 22.311 1.00 0.00 H +TER +ATOM 7268 O WAT 2067 43.963 64.030 24.897 1.00 0.00 O +ATOM 7269 H1 WAT 2067 43.187 63.550 25.187 1.00 0.00 H +ATOM 7270 H2 WAT 2067 44.614 63.350 24.723 1.00 0.00 H +TER +ATOM 7271 O WAT 2068 37.979 64.342 25.775 1.00 0.00 O +ATOM 7272 H1 WAT 2068 37.148 64.087 26.175 1.00 0.00 H +ATOM 7273 H2 WAT 2068 38.587 64.413 26.511 1.00 0.00 H +TER +ATOM 7274 O WAT 2069 36.388 59.302 19.559 1.00 0.00 O +ATOM 7275 H1 WAT 2069 35.500 59.644 19.457 1.00 0.00 H +ATOM 7276 H2 WAT 2069 36.673 59.102 18.667 1.00 0.00 H +TER +ATOM 7277 O WAT 2070 34.352 61.903 25.443 1.00 0.00 O +ATOM 7278 H1 WAT 2070 34.923 61.135 25.444 1.00 0.00 H +ATOM 7279 H2 WAT 2070 34.352 62.201 24.534 1.00 0.00 H +TER +ATOM 7280 O WAT 2071 43.404 66.706 24.905 1.00 0.00 O +ATOM 7281 H1 WAT 2071 43.334 65.765 24.743 1.00 0.00 H +ATOM 7282 H2 WAT 2071 44.166 66.796 25.477 1.00 0.00 H +TER +ATOM 7283 O WAT 2072 35.594 57.311 27.230 1.00 0.00 O +ATOM 7284 H1 WAT 2072 35.415 56.414 27.510 1.00 0.00 H +ATOM 7285 H2 WAT 2072 35.192 57.858 27.905 1.00 0.00 H +TER +ATOM 7286 O WAT 2073 44.434 59.513 25.131 1.00 0.00 O +ATOM 7287 H1 WAT 2073 44.811 58.640 25.019 1.00 0.00 H +ATOM 7288 H2 WAT 2073 44.336 59.849 24.240 1.00 0.00 H +TER +ATOM 7289 O WAT 2074 38.565 57.885 20.593 1.00 0.00 O +ATOM 7290 H1 WAT 2074 38.671 58.786 20.900 1.00 0.00 H +ATOM 7291 H2 WAT 2074 37.654 57.837 20.303 1.00 0.00 H +TER +ATOM 7292 O WAT 2075 48.217 57.008 22.064 1.00 0.00 O +ATOM 7293 H1 WAT 2075 49.037 56.517 22.107 1.00 0.00 H +ATOM 7294 H2 WAT 2075 48.250 57.597 22.817 1.00 0.00 H +TER +ATOM 7295 O WAT 2076 36.213 59.807 25.838 1.00 0.00 O +ATOM 7296 H1 WAT 2076 36.894 60.071 26.457 1.00 0.00 H +ATOM 7297 H2 WAT 2076 35.898 58.967 26.172 1.00 0.00 H +TER +ATOM 7298 O WAT 2077 40.405 60.854 24.926 1.00 0.00 O +ATOM 7299 H1 WAT 2077 40.913 61.352 25.566 1.00 0.00 H +ATOM 7300 H2 WAT 2077 40.937 60.077 24.750 1.00 0.00 H +TER +ATOM 7301 O WAT 2078 52.506 59.024 28.629 1.00 0.00 O +ATOM 7302 H1 WAT 2078 51.802 59.413 28.110 1.00 0.00 H +ATOM 7303 H2 WAT 2078 52.772 59.719 29.231 1.00 0.00 H +TER +ATOM 7304 O WAT 2079 38.689 55.494 29.192 1.00 0.00 O +ATOM 7305 H1 WAT 2079 38.691 56.011 28.387 1.00 0.00 H +ATOM 7306 H2 WAT 2079 37.859 55.017 29.169 1.00 0.00 H +TER +ATOM 7307 O WAT 2080 45.076 65.606 20.691 1.00 0.00 O +ATOM 7308 H1 WAT 2080 44.458 66.071 20.127 1.00 0.00 H +ATOM 7309 H2 WAT 2080 45.588 66.298 21.108 1.00 0.00 H +TER +ATOM 7310 O WAT 2081 39.939 65.133 27.369 1.00 0.00 O +ATOM 7311 H1 WAT 2081 39.606 65.760 28.011 1.00 0.00 H +ATOM 7312 H2 WAT 2081 40.116 65.659 26.590 1.00 0.00 H +TER +ATOM 7313 O WAT 2082 48.453 58.948 24.837 1.00 0.00 O +ATOM 7314 H1 WAT 2082 47.748 59.236 25.417 1.00 0.00 H +ATOM 7315 H2 WAT 2082 48.814 59.758 24.477 1.00 0.00 H +TER +ATOM 7316 O WAT 2083 38.371 57.205 27.199 1.00 0.00 O +ATOM 7317 H1 WAT 2083 38.712 58.049 26.904 1.00 0.00 H +ATOM 7318 H2 WAT 2083 37.432 57.353 27.316 1.00 0.00 H +TER +ATOM 7319 O WAT 2084 39.151 67.101 29.184 1.00 0.00 O +ATOM 7320 H1 WAT 2084 39.769 67.776 28.903 1.00 0.00 H +ATOM 7321 H2 WAT 2084 38.291 67.510 29.093 1.00 0.00 H +TER +ATOM 7322 O WAT 2085 34.444 66.291 18.065 1.00 0.00 O +ATOM 7323 H1 WAT 2085 34.067 66.780 17.333 1.00 0.00 H +ATOM 7324 H2 WAT 2085 34.702 66.964 18.696 1.00 0.00 H +TER +ATOM 7325 O WAT 2086 51.521 58.393 25.228 1.00 0.00 O +ATOM 7326 H1 WAT 2086 50.574 58.427 25.359 1.00 0.00 H +ATOM 7327 H2 WAT 2086 51.846 59.207 25.613 1.00 0.00 H +TER +ATOM 7328 O WAT 2087 42.053 54.693 23.524 1.00 0.00 O +ATOM 7329 H1 WAT 2087 42.361 54.138 22.807 1.00 0.00 H +ATOM 7330 H2 WAT 2087 41.123 54.827 23.341 1.00 0.00 H +TER +ATOM 7331 O WAT 2088 48.899 67.131 20.903 1.00 0.00 O +ATOM 7332 H1 WAT 2088 48.789 66.189 21.028 1.00 0.00 H +ATOM 7333 H2 WAT 2088 48.896 67.493 21.790 1.00 0.00 H +TER +ATOM 7334 O WAT 2089 47.003 65.313 27.143 1.00 0.00 O +ATOM 7335 H1 WAT 2089 47.420 65.099 26.308 1.00 0.00 H +ATOM 7336 H2 WAT 2089 47.727 65.570 27.713 1.00 0.00 H +TER +ATOM 7337 O WAT 2090 44.441 62.758 20.260 1.00 0.00 O +ATOM 7338 H1 WAT 2090 43.514 62.692 20.488 1.00 0.00 H +ATOM 7339 H2 WAT 2090 44.594 63.696 20.145 1.00 0.00 H +TER +ATOM 7340 O WAT 2091 44.428 59.030 17.256 1.00 0.00 O +ATOM 7341 H1 WAT 2091 43.489 59.191 17.341 1.00 0.00 H +ATOM 7342 H2 WAT 2091 44.747 59.748 16.710 1.00 0.00 H +TER +ATOM 7343 O WAT 2092 50.950 63.711 27.234 1.00 0.00 O +ATOM 7344 H1 WAT 2092 50.121 63.781 26.759 1.00 0.00 H +ATOM 7345 H2 WAT 2092 51.545 64.297 26.766 1.00 0.00 H +TER +ATOM 7346 O WAT 2093 48.471 64.320 20.763 1.00 0.00 O +ATOM 7347 H1 WAT 2093 47.852 63.982 20.116 1.00 0.00 H +ATOM 7348 H2 WAT 2093 48.454 63.676 21.471 1.00 0.00 H +TER +ATOM 7349 O WAT 2094 47.914 60.498 28.180 1.00 0.00 O +ATOM 7350 H1 WAT 2094 47.501 61.324 28.434 1.00 0.00 H +ATOM 7351 H2 WAT 2094 47.181 59.913 27.987 1.00 0.00 H +TER +ATOM 7352 O WAT 2095 40.047 63.284 23.041 1.00 0.00 O +ATOM 7353 H1 WAT 2095 39.643 62.572 22.546 1.00 0.00 H +ATOM 7354 H2 WAT 2095 40.133 62.940 23.930 1.00 0.00 H +TER +ATOM 7355 O WAT 2096 40.515 66.971 25.205 1.00 0.00 O +ATOM 7356 H1 WAT 2096 40.218 66.366 24.526 1.00 0.00 H +ATOM 7357 H2 WAT 2096 41.465 67.009 25.094 1.00 0.00 H +TER +ATOM 7358 O WAT 2097 38.760 60.059 26.821 1.00 0.00 O +ATOM 7359 H1 WAT 2097 39.311 60.168 26.047 1.00 0.00 H +ATOM 7360 H2 WAT 2097 39.274 60.432 27.537 1.00 0.00 H +TER +ATOM 7361 O WAT 2098 39.607 66.709 31.856 1.00 0.00 O +ATOM 7362 H1 WAT 2098 38.710 66.933 32.104 1.00 0.00 H +ATOM 7363 H2 WAT 2098 39.632 66.833 30.907 1.00 0.00 H +TER +ATOM 7364 O WAT 2099 46.648 63.559 17.770 1.00 0.00 O +ATOM 7365 H1 WAT 2099 47.087 62.721 17.624 1.00 0.00 H +ATOM 7366 H2 WAT 2099 47.360 64.191 17.857 1.00 0.00 H +TER +ATOM 7367 O WAT 2100 38.434 63.581 30.432 1.00 0.00 O +ATOM 7368 H1 WAT 2100 38.295 64.453 30.801 1.00 0.00 H +ATOM 7369 H2 WAT 2100 37.552 63.238 30.287 1.00 0.00 H +TER +ATOM 7370 O WAT 2101 50.229 54.813 16.084 1.00 0.00 O +ATOM 7371 H1 WAT 2101 49.917 54.905 16.984 1.00 0.00 H +ATOM 7372 H2 WAT 2101 50.991 55.391 16.034 1.00 0.00 H +TER +ATOM 7373 O WAT 2102 36.748 62.179 20.542 1.00 0.00 O +ATOM 7374 H1 WAT 2102 36.627 62.905 19.930 1.00 0.00 H +ATOM 7375 H2 WAT 2102 36.438 61.409 20.065 1.00 0.00 H +TER +ATOM 7376 O WAT 2103 34.386 65.350 26.349 1.00 0.00 O +ATOM 7377 H1 WAT 2103 34.464 65.485 25.405 1.00 0.00 H +ATOM 7378 H2 WAT 2103 35.000 64.642 26.542 1.00 0.00 H +TER +ATOM 7379 O WAT 2104 35.631 67.050 22.760 1.00 0.00 O +ATOM 7380 H1 WAT 2104 35.224 67.192 21.905 1.00 0.00 H +ATOM 7381 H2 WAT 2104 36.522 66.766 22.557 1.00 0.00 H +TER +ATOM 7382 O WAT 2105 51.587 67.497 31.097 1.00 0.00 O +ATOM 7383 H1 WAT 2105 51.713 67.258 30.179 1.00 0.00 H +ATOM 7384 H2 WAT 2105 51.629 66.665 31.569 1.00 0.00 H +TER +ATOM 7385 O WAT 2106 51.439 59.550 32.062 1.00 0.00 O +ATOM 7386 H1 WAT 2106 50.824 60.058 31.533 1.00 0.00 H +ATOM 7387 H2 WAT 2106 51.119 58.650 32.004 1.00 0.00 H +TER +ATOM 7388 O WAT 2107 34.442 66.392 28.888 1.00 0.00 O +ATOM 7389 H1 WAT 2107 34.605 65.922 28.070 1.00 0.00 H +ATOM 7390 H2 WAT 2107 34.907 65.884 29.553 1.00 0.00 H +TER +ATOM 7391 O WAT 2108 39.214 55.522 23.925 1.00 0.00 O +ATOM 7392 H1 WAT 2108 38.771 56.303 23.593 1.00 0.00 H +ATOM 7393 H2 WAT 2108 39.772 55.845 24.632 1.00 0.00 H +TER +ATOM 7394 O WAT 2109 43.501 58.389 29.528 1.00 0.00 O +ATOM 7395 H1 WAT 2109 43.039 58.597 30.340 1.00 0.00 H +ATOM 7396 H2 WAT 2109 43.099 57.575 29.225 1.00 0.00 H +TER +ATOM 7397 O WAT 2110 48.501 59.610 30.658 1.00 0.00 O +ATOM 7398 H1 WAT 2110 47.651 59.311 30.979 1.00 0.00 H +ATOM 7399 H2 WAT 2110 48.341 59.854 29.746 1.00 0.00 H +TER +ATOM 7400 O WAT 2111 45.596 61.110 32.758 1.00 0.00 O +ATOM 7401 H1 WAT 2111 45.922 60.277 32.418 1.00 0.00 H +ATOM 7402 H2 WAT 2111 46.384 61.633 32.905 1.00 0.00 H +TER +ATOM 7403 O WAT 2112 42.330 55.143 18.805 1.00 0.00 O +ATOM 7404 H1 WAT 2112 41.705 55.139 19.530 1.00 0.00 H +ATOM 7405 H2 WAT 2112 42.243 54.276 18.409 1.00 0.00 H +TER +ATOM 7406 O WAT 2113 41.251 56.067 25.783 1.00 0.00 O +ATOM 7407 H1 WAT 2113 41.549 56.973 25.703 1.00 0.00 H +ATOM 7408 H2 WAT 2113 41.800 55.579 25.169 1.00 0.00 H +TER +ATOM 7409 O WAT 2114 39.005 60.646 21.653 1.00 0.00 O +ATOM 7410 H1 WAT 2114 38.779 60.429 22.557 1.00 0.00 H +ATOM 7411 H2 WAT 2114 38.225 61.078 21.307 1.00 0.00 H +TER +ATOM 7412 O WAT 2115 46.235 60.652 20.252 1.00 0.00 O +ATOM 7413 H1 WAT 2115 45.636 61.376 20.068 1.00 0.00 H +ATOM 7414 H2 WAT 2115 46.783 60.590 19.469 1.00 0.00 H +TER +ATOM 7415 O WAT 2116 41.445 61.544 32.319 1.00 0.00 O +ATOM 7416 H1 WAT 2116 41.350 60.604 32.169 1.00 0.00 H +ATOM 7417 H2 WAT 2116 42.288 61.766 31.923 1.00 0.00 H +TER +ATOM 7418 O WAT 2117 44.842 59.288 22.282 1.00 0.00 O +ATOM 7419 H1 WAT 2117 45.235 59.606 21.469 1.00 0.00 H +ATOM 7420 H2 WAT 2117 45.203 58.410 22.396 1.00 0.00 H +TER +ATOM 7421 O WAT 2118 36.576 57.956 30.472 1.00 0.00 O +ATOM 7422 H1 WAT 2118 36.183 58.803 30.679 1.00 0.00 H +ATOM 7423 H2 WAT 2118 35.888 57.318 30.663 1.00 0.00 H +TER +ATOM 7424 O WAT 2119 43.151 58.039 33.542 1.00 0.00 O +ATOM 7425 H1 WAT 2119 42.461 57.846 34.176 1.00 0.00 H +ATOM 7426 H2 WAT 2119 43.894 58.323 34.074 1.00 0.00 H +TER +ATOM 7427 O WAT 2120 33.878 55.878 24.505 1.00 0.00 O +ATOM 7428 H1 WAT 2120 33.589 56.449 25.218 1.00 0.00 H +ATOM 7429 H2 WAT 2120 34.623 55.399 24.868 1.00 0.00 H +TER +ATOM 7430 O WAT 2121 34.065 59.820 15.715 1.00 0.00 O +ATOM 7431 H1 WAT 2121 33.982 60.764 15.857 1.00 0.00 H +ATOM 7432 H2 WAT 2121 33.713 59.678 14.837 1.00 0.00 H +TER +ATOM 7433 O WAT 2122 45.427 61.879 26.377 1.00 0.00 O +ATOM 7434 H1 WAT 2122 44.695 62.388 26.726 1.00 0.00 H +ATOM 7435 H2 WAT 2122 45.030 61.062 26.076 1.00 0.00 H +TER +ATOM 7436 O WAT 2123 41.865 58.554 24.782 1.00 0.00 O +ATOM 7437 H1 WAT 2123 41.868 58.113 23.933 1.00 0.00 H +ATOM 7438 H2 WAT 2123 42.760 58.876 24.890 1.00 0.00 H +TER +ATOM 7439 O WAT 2124 37.715 58.437 23.742 1.00 0.00 O +ATOM 7440 H1 WAT 2124 37.375 58.914 24.498 1.00 0.00 H +ATOM 7441 H2 WAT 2124 36.953 57.983 23.382 1.00 0.00 H +TER +ATOM 7442 O WAT 2125 41.927 59.556 17.773 1.00 0.00 O +ATOM 7443 H1 WAT 2125 42.048 59.514 18.722 1.00 0.00 H +ATOM 7444 H2 WAT 2125 41.542 60.418 17.618 1.00 0.00 H +TER +ATOM 7445 O WAT 2126 45.890 57.332 25.789 1.00 0.00 O +ATOM 7446 H1 WAT 2126 45.907 57.783 26.634 1.00 0.00 H +ATOM 7447 H2 WAT 2126 45.641 56.433 26.003 1.00 0.00 H +TER +ATOM 7448 O WAT 2127 40.939 61.866 17.171 1.00 0.00 O +ATOM 7449 H1 WAT 2127 40.371 61.417 16.545 1.00 0.00 H +ATOM 7450 H2 WAT 2127 41.648 62.225 16.638 1.00 0.00 H +TER +ATOM 7451 O WAT 2128 49.317 54.745 31.628 1.00 0.00 O +ATOM 7452 H1 WAT 2128 49.641 54.014 32.154 1.00 0.00 H +ATOM 7453 H2 WAT 2128 49.352 54.427 30.726 1.00 0.00 H +TER +ATOM 7454 O WAT 2129 36.016 65.767 31.048 1.00 0.00 O +ATOM 7455 H1 WAT 2129 35.631 65.126 31.646 1.00 0.00 H +ATOM 7456 H2 WAT 2129 36.327 66.470 31.618 1.00 0.00 H +TER +ATOM 7457 O WAT 2130 42.166 62.615 26.529 1.00 0.00 O +ATOM 7458 H1 WAT 2130 42.533 62.140 27.275 1.00 0.00 H +ATOM 7459 H2 WAT 2130 41.976 63.489 26.870 1.00 0.00 H +TER +ATOM 7460 O WAT 2131 35.030 57.359 22.658 1.00 0.00 O +ATOM 7461 H1 WAT 2131 34.744 56.994 23.496 1.00 0.00 H +ATOM 7462 H2 WAT 2131 34.968 56.627 22.045 1.00 0.00 H +TER +ATOM 7463 O WAT 2132 39.956 61.655 28.847 1.00 0.00 O +ATOM 7464 H1 WAT 2132 39.651 62.535 29.072 1.00 0.00 H +ATOM 7465 H2 WAT 2132 40.910 61.715 28.883 1.00 0.00 H +TER +ATOM 7466 O WAT 2133 38.484 65.861 19.444 1.00 0.00 O +ATOM 7467 H1 WAT 2133 37.710 65.321 19.284 1.00 0.00 H +ATOM 7468 H2 WAT 2133 39.213 65.342 19.106 1.00 0.00 H +TER +ATOM 7469 O WAT 2134 49.243 64.858 25.237 1.00 0.00 O +ATOM 7470 H1 WAT 2134 49.962 65.354 24.846 1.00 0.00 H +ATOM 7471 H2 WAT 2134 49.041 64.180 24.592 1.00 0.00 H +TER +ATOM 7472 O WAT 2135 44.704 56.252 19.380 1.00 0.00 O +ATOM 7473 H1 WAT 2135 43.890 55.753 19.304 1.00 0.00 H +ATOM 7474 H2 WAT 2135 44.510 57.092 18.963 1.00 0.00 H +TER +ATOM 7475 O WAT 2136 44.624 64.929 31.124 1.00 0.00 O +ATOM 7476 H1 WAT 2136 44.558 64.008 30.869 1.00 0.00 H +ATOM 7477 H2 WAT 2136 43.995 65.026 31.838 1.00 0.00 H +TER +ATOM 7478 O WAT 2137 47.418 60.624 17.676 1.00 0.00 O +ATOM 7479 H1 WAT 2137 48.306 60.935 17.501 1.00 0.00 H +ATOM 7480 H2 WAT 2137 47.389 59.751 17.284 1.00 0.00 H +TER +ATOM 7481 O WAT 2138 38.527 65.530 23.082 1.00 0.00 O +ATOM 7482 H1 WAT 2138 39.045 64.726 23.028 1.00 0.00 H +ATOM 7483 H2 WAT 2138 38.076 65.467 23.924 1.00 0.00 H +TER +ATOM 7484 O WAT 2139 43.414 66.796 18.355 1.00 0.00 O +ATOM 7485 H1 WAT 2139 43.756 67.540 17.859 1.00 0.00 H +ATOM 7486 H2 WAT 2139 42.586 67.109 18.717 1.00 0.00 H +TER +ATOM 7487 O WAT 2140 36.012 62.496 29.994 1.00 0.00 O +ATOM 7488 H1 WAT 2140 35.653 63.161 30.582 1.00 0.00 H +ATOM 7489 H2 WAT 2140 35.717 61.664 30.366 1.00 0.00 H +TER +ATOM 7490 O WAT 2141 39.213 62.954 32.878 1.00 0.00 O +ATOM 7491 H1 WAT 2141 38.913 63.100 31.981 1.00 0.00 H +ATOM 7492 H2 WAT 2141 39.984 62.395 32.786 1.00 0.00 H +TER +ATOM 7493 O WAT 2142 44.556 67.751 30.874 1.00 0.00 O +ATOM 7494 H1 WAT 2142 44.571 66.819 30.656 1.00 0.00 H +ATOM 7495 H2 WAT 2142 43.849 67.837 31.513 1.00 0.00 H +TER +ATOM 7496 O WAT 2143 49.690 61.935 17.144 1.00 0.00 O +ATOM 7497 H1 WAT 2143 49.606 62.366 16.293 1.00 0.00 H +ATOM 7498 H2 WAT 2143 50.409 62.395 17.576 1.00 0.00 H +TER +ATOM 7499 O WAT 2144 50.767 64.392 30.221 1.00 0.00 O +ATOM 7500 H1 WAT 2144 50.042 64.985 30.024 1.00 0.00 H +ATOM 7501 H2 WAT 2144 51.295 64.384 29.422 1.00 0.00 H +TER +ATOM 7502 O WAT 2145 46.297 66.118 23.719 1.00 0.00 O +ATOM 7503 H1 WAT 2145 46.650 65.521 23.059 1.00 0.00 H +ATOM 7504 H2 WAT 2145 45.413 65.792 23.890 1.00 0.00 H +TER +ATOM 7505 O WAT 2146 42.383 66.877 21.126 1.00 0.00 O +ATOM 7506 H1 WAT 2146 43.071 67.424 21.507 1.00 0.00 H +ATOM 7507 H2 WAT 2146 41.597 67.422 21.161 1.00 0.00 H +TER +ATOM 7508 O WAT 2147 34.523 62.495 16.618 1.00 0.00 O +ATOM 7509 H1 WAT 2147 35.392 62.777 16.902 1.00 0.00 H +ATOM 7510 H2 WAT 2147 34.032 63.308 16.503 1.00 0.00 H +TER +ATOM 7511 O WAT 2148 41.686 63.882 20.739 1.00 0.00 O +ATOM 7512 H1 WAT 2148 42.142 64.693 20.965 1.00 0.00 H +ATOM 7513 H2 WAT 2148 41.335 63.564 21.571 1.00 0.00 H +TER +ATOM 7514 O WAT 2149 37.587 54.226 21.211 1.00 0.00 O +ATOM 7515 H1 WAT 2149 37.459 54.218 22.160 1.00 0.00 H +ATOM 7516 H2 WAT 2149 36.764 54.564 20.860 1.00 0.00 H +TER +ATOM 7517 O WAT 2150 49.108 67.681 16.410 1.00 0.00 O +ATOM 7518 H1 WAT 2150 48.882 66.964 17.002 1.00 0.00 H +ATOM 7519 H2 WAT 2150 48.718 67.432 15.572 1.00 0.00 H +TER +ATOM 7520 O WAT 2151 34.587 55.985 30.672 1.00 0.00 O +ATOM 7521 H1 WAT 2151 33.873 56.185 31.277 1.00 0.00 H +ATOM 7522 H2 WAT 2151 35.006 55.209 31.043 1.00 0.00 H +TER +ATOM 7523 O WAT 2152 48.690 65.598 18.071 1.00 0.00 O +ATOM 7524 H1 WAT 2152 48.402 66.059 18.859 1.00 0.00 H +ATOM 7525 H2 WAT 2152 49.485 65.138 18.339 1.00 0.00 H +TER +ATOM 7526 O WAT 2153 36.507 64.312 18.746 1.00 0.00 O +ATOM 7527 H1 WAT 2153 35.900 65.052 18.756 1.00 0.00 H +ATOM 7528 H2 WAT 2153 36.982 64.402 17.920 1.00 0.00 H +TER +ATOM 7529 O WAT 2154 46.081 58.477 28.422 1.00 0.00 O +ATOM 7530 H1 WAT 2154 46.449 57.657 28.750 1.00 0.00 H +ATOM 7531 H2 WAT 2154 45.220 58.537 28.837 1.00 0.00 H +TER +ATOM 7532 O WAT 2155 49.447 57.433 19.231 1.00 0.00 O +ATOM 7533 H1 WAT 2155 48.818 57.537 18.516 1.00 0.00 H +ATOM 7534 H2 WAT 2155 48.952 57.653 20.020 1.00 0.00 H +TER +ATOM 7535 O WAT 2156 41.415 59.711 20.646 1.00 0.00 O +ATOM 7536 H1 WAT 2156 40.707 60.180 21.088 1.00 0.00 H +ATOM 7537 H2 WAT 2156 41.700 59.054 21.281 1.00 0.00 H +TER +ATOM 7538 O WAT 2157 43.041 61.131 28.646 1.00 0.00 O +ATOM 7539 H1 WAT 2157 43.539 61.606 29.311 1.00 0.00 H +ATOM 7540 H2 WAT 2157 43.183 60.208 28.853 1.00 0.00 H +TER +ATOM 7541 O WAT 2158 45.447 56.437 22.086 1.00 0.00 O +ATOM 7542 H1 WAT 2158 45.324 56.455 21.137 1.00 0.00 H +ATOM 7543 H2 WAT 2158 46.395 56.484 22.206 1.00 0.00 H +TER +ATOM 7544 O WAT 2159 39.619 58.020 18.021 1.00 0.00 O +ATOM 7545 H1 WAT 2159 40.468 58.457 17.955 1.00 0.00 H +ATOM 7546 H2 WAT 2159 39.252 58.332 18.849 1.00 0.00 H +TER +ATOM 7547 O WAT 2160 50.248 57.348 29.488 1.00 0.00 O +ATOM 7548 H1 WAT 2160 49.745 58.088 29.828 1.00 0.00 H +ATOM 7549 H2 WAT 2160 51.063 57.736 29.172 1.00 0.00 H +TER +ATOM 7550 O WAT 2161 48.540 62.591 22.935 1.00 0.00 O +ATOM 7551 H1 WAT 2161 47.599 62.606 23.109 1.00 0.00 H +ATOM 7552 H2 WAT 2161 48.854 61.805 23.381 1.00 0.00 H +TER +ATOM 7553 O WAT 2162 38.518 64.273 16.495 1.00 0.00 O +ATOM 7554 H1 WAT 2162 39.284 64.161 17.058 1.00 0.00 H +ATOM 7555 H2 WAT 2162 38.595 63.577 15.843 1.00 0.00 H +TER +ATOM 7556 O WAT 2163 37.213 61.706 17.178 1.00 0.00 O +ATOM 7557 H1 WAT 2163 37.293 60.758 17.290 1.00 0.00 H +ATOM 7558 H2 WAT 2163 38.105 62.036 17.284 1.00 0.00 H +TER +ATOM 7559 O WAT 2164 45.856 67.148 33.418 1.00 0.00 O +ATOM 7560 H1 WAT 2164 45.250 67.171 32.677 1.00 0.00 H +ATOM 7561 H2 WAT 2164 45.552 66.416 33.955 1.00 0.00 H +TER +ATOM 7562 O WAT 2165 34.740 63.527 32.414 1.00 0.00 O +ATOM 7563 H1 WAT 2165 35.244 62.948 32.986 1.00 0.00 H +ATOM 7564 H2 WAT 2165 34.000 63.811 32.952 1.00 0.00 H +TER +ATOM 7565 O WAT 2166 41.642 66.249 15.969 1.00 0.00 O +ATOM 7566 H1 WAT 2166 41.537 65.634 16.695 1.00 0.00 H +ATOM 7567 H2 WAT 2166 41.474 65.725 15.185 1.00 0.00 H +TER +ATOM 7568 O WAT 2167 41.793 64.934 31.947 1.00 0.00 O +ATOM 7569 H1 WAT 2167 41.028 65.503 31.863 1.00 0.00 H +ATOM 7570 H2 WAT 2167 41.975 64.642 31.054 1.00 0.00 H +TER +ATOM 7571 O WAT 2168 44.882 65.311 16.573 1.00 0.00 O +ATOM 7572 H1 WAT 2168 44.333 65.758 17.217 1.00 0.00 H +ATOM 7573 H2 WAT 2168 45.504 64.806 17.096 1.00 0.00 H +TER +ATOM 7574 O WAT 2169 48.936 66.665 32.505 1.00 0.00 O +ATOM 7575 H1 WAT 2169 49.677 67.002 32.002 1.00 0.00 H +ATOM 7576 H2 WAT 2169 48.173 66.834 31.952 1.00 0.00 H +TER +ATOM 7577 O WAT 2170 36.772 61.670 33.309 1.00 0.00 O +ATOM 7578 H1 WAT 2170 36.813 61.372 34.217 1.00 0.00 H +ATOM 7579 H2 WAT 2170 37.627 62.071 33.150 1.00 0.00 H +TER +ATOM 7580 O WAT 2171 40.550 64.270 18.469 1.00 0.00 O +ATOM 7581 H1 WAT 2171 40.971 64.104 19.312 1.00 0.00 H +ATOM 7582 H2 WAT 2171 40.675 63.460 17.975 1.00 0.00 H +TER +ATOM 7583 O WAT 2172 38.713 60.249 31.276 1.00 0.00 O +ATOM 7584 H1 WAT 2172 38.182 59.758 30.649 1.00 0.00 H +ATOM 7585 H2 WAT 2172 39.381 60.678 30.742 1.00 0.00 H +TER +ATOM 7586 O WAT 2173 43.063 63.294 15.717 1.00 0.00 O +ATOM 7587 H1 WAT 2173 43.583 62.578 15.351 1.00 0.00 H +ATOM 7588 H2 WAT 2173 43.709 63.932 16.017 1.00 0.00 H +TER +ATOM 7589 O WAT 2174 47.610 64.716 31.040 1.00 0.00 O +ATOM 7590 H1 WAT 2174 48.024 64.871 31.890 1.00 0.00 H +ATOM 7591 H2 WAT 2174 46.675 64.842 31.203 1.00 0.00 H +TER +ATOM 7592 O WAT 2175 48.083 62.056 33.044 1.00 0.00 O +ATOM 7593 H1 WAT 2175 48.665 61.301 32.956 1.00 0.00 H +ATOM 7594 H2 WAT 2175 48.259 62.587 32.268 1.00 0.00 H +TER +ATOM 7595 O WAT 2176 39.200 57.216 31.356 1.00 0.00 O +ATOM 7596 H1 WAT 2176 39.105 56.598 30.631 1.00 0.00 H +ATOM 7597 H2 WAT 2176 38.620 57.942 31.129 1.00 0.00 H +TER +ATOM 7598 O WAT 2177 41.966 55.773 28.389 1.00 0.00 O +ATOM 7599 H1 WAT 2177 41.518 55.795 27.543 1.00 0.00 H +ATOM 7600 H2 WAT 2177 41.332 55.375 28.986 1.00 0.00 H +TER +ATOM 7601 O WAT 2178 42.372 64.668 29.010 1.00 0.00 O +ATOM 7602 H1 WAT 2178 42.791 65.512 28.838 1.00 0.00 H +ATOM 7603 H2 WAT 2178 41.453 64.806 28.781 1.00 0.00 H +TER +ATOM 7604 O WAT 2179 44.708 62.400 30.394 1.00 0.00 O +ATOM 7605 H1 WAT 2179 44.828 61.804 31.133 1.00 0.00 H +ATOM 7606 H2 WAT 2179 45.568 62.437 29.974 1.00 0.00 H +TER +ATOM 7607 O WAT 2180 47.047 62.954 28.970 1.00 0.00 O +ATOM 7608 H1 WAT 2180 46.521 63.478 28.367 1.00 0.00 H +ATOM 7609 H2 WAT 2180 47.390 63.586 29.601 1.00 0.00 H +TER +ATOM 7610 O WAT 2181 39.446 60.343 15.415 1.00 0.00 O +ATOM 7611 H1 WAT 2181 39.245 59.480 15.776 1.00 0.00 H +ATOM 7612 H2 WAT 2181 39.275 60.256 14.477 1.00 0.00 H +TER +ATOM 7613 O WAT 2182 41.475 58.942 31.651 1.00 0.00 O +ATOM 7614 H1 WAT 2182 42.065 58.634 32.339 1.00 0.00 H +ATOM 7615 H2 WAT 2182 40.657 58.470 31.807 1.00 0.00 H +TER +ATOM 7616 O WAT 2183 46.295 58.559 31.885 1.00 0.00 O +ATOM 7617 H1 WAT 2183 45.606 57.897 31.820 1.00 0.00 H +ATOM 7618 H2 WAT 2183 47.015 58.113 32.330 1.00 0.00 H +TER +ATOM 7619 O WAT 2184 46.925 55.154 17.944 1.00 0.00 O +ATOM 7620 H1 WAT 2184 47.205 54.311 18.300 1.00 0.00 H +ATOM 7621 H2 WAT 2184 46.151 55.386 18.458 1.00 0.00 H +TER +ATOM 7622 O WAT 2185 38.244 57.443 15.403 1.00 0.00 O +ATOM 7623 H1 WAT 2185 38.547 57.450 14.495 1.00 0.00 H +ATOM 7624 H2 WAT 2185 38.983 57.093 15.900 1.00 0.00 H +TER +ATOM 7625 O WAT 2186 41.462 56.387 16.388 1.00 0.00 O +ATOM 7626 H1 WAT 2186 41.115 55.709 15.809 1.00 0.00 H +ATOM 7627 H2 WAT 2186 41.664 55.926 17.203 1.00 0.00 H +TER +ATOM 7628 O WAT 2187 37.267 66.747 16.236 1.00 0.00 O +ATOM 7629 H1 WAT 2187 37.704 67.290 16.892 1.00 0.00 H +ATOM 7630 H2 WAT 2187 37.752 65.922 16.245 1.00 0.00 H +TER +ATOM 7631 O WAT 2188 39.078 67.867 21.348 1.00 0.00 O +ATOM 7632 H1 WAT 2188 38.777 67.744 22.248 1.00 0.00 H +ATOM 7633 H2 WAT 2188 38.972 67.008 20.940 1.00 0.00 H +TER +ATOM 7634 O WAT 2189 51.303 64.392 18.554 1.00 0.00 O +ATOM 7635 H1 WAT 2189 52.065 64.961 18.660 1.00 0.00 H +ATOM 7636 H2 WAT 2189 51.318 63.824 19.325 1.00 0.00 H +TER +ATOM 7637 O WAT 2190 34.803 62.915 22.785 1.00 0.00 O +ATOM 7638 H1 WAT 2190 34.148 62.647 22.141 1.00 0.00 H +ATOM 7639 H2 WAT 2190 35.641 62.806 22.335 1.00 0.00 H +TER +ATOM 7640 O WAT 2191 52.309 65.247 23.398 1.00 0.00 O +ATOM 7641 H1 WAT 2191 52.679 64.463 22.992 1.00 0.00 H +ATOM 7642 H2 WAT 2191 52.949 65.935 23.220 1.00 0.00 H +TER +ATOM 7643 O WAT 2192 49.292 66.630 28.811 1.00 0.00 O +ATOM 7644 H1 WAT 2192 48.478 67.060 29.074 1.00 0.00 H +ATOM 7645 H2 WAT 2192 49.699 67.242 28.198 1.00 0.00 H +TER +ATOM 7646 O WAT 2193 51.355 64.685 15.711 1.00 0.00 O +ATOM 7647 H1 WAT 2193 51.629 65.593 15.583 1.00 0.00 H +ATOM 7648 H2 WAT 2193 51.166 64.621 16.648 1.00 0.00 H +TER +ATOM 7649 O WAT 2194 47.752 57.709 17.007 1.00 0.00 O +ATOM 7650 H1 WAT 2194 48.171 57.523 16.166 1.00 0.00 H +ATOM 7651 H2 WAT 2194 47.446 56.857 17.317 1.00 0.00 H +TER +ATOM 7652 O WAT 2195 51.251 62.622 20.704 1.00 0.00 O +ATOM 7653 H1 WAT 2195 50.875 61.855 20.272 1.00 0.00 H +ATOM 7654 H2 WAT 2195 50.521 63.004 21.192 1.00 0.00 H +TER +ATOM 7655 O WAT 2196 35.841 63.301 27.325 1.00 0.00 O +ATOM 7656 H1 WAT 2196 36.208 63.213 28.205 1.00 0.00 H +ATOM 7657 H2 WAT 2196 35.272 62.537 27.226 1.00 0.00 H +TER +ATOM 7658 O WAT 2197 50.641 61.769 30.338 1.00 0.00 O +ATOM 7659 H1 WAT 2197 50.410 61.540 29.438 1.00 0.00 H +ATOM 7660 H2 WAT 2197 50.901 62.689 30.293 1.00 0.00 H +TER +ATOM 7661 O WAT 2198 35.392 60.212 31.231 1.00 0.00 O +ATOM 7662 H1 WAT 2198 34.498 60.178 31.570 1.00 0.00 H +ATOM 7663 H2 WAT 2198 35.932 60.410 31.996 1.00 0.00 H +TER +ATOM 7664 O WAT 2199 49.080 56.995 33.116 1.00 0.00 O +ATOM 7665 H1 WAT 2199 49.957 57.003 33.500 1.00 0.00 H +ATOM 7666 H2 WAT 2199 49.092 56.258 32.506 1.00 0.00 H +TER +ATOM 7667 O WAT 2200 34.017 60.125 18.727 1.00 0.00 O +ATOM 7668 H1 WAT 2200 33.113 60.388 18.553 1.00 0.00 H +ATOM 7669 H2 WAT 2200 34.501 60.396 17.947 1.00 0.00 H +TER +ATOM 7670 O WAT 2201 50.526 60.848 24.005 1.00 0.00 O +ATOM 7671 H1 WAT 2201 51.050 60.354 23.374 1.00 0.00 H +ATOM 7672 H2 WAT 2201 51.112 60.983 24.750 1.00 0.00 H +TER +ATOM 7673 O WAT 2202 50.705 60.932 27.527 1.00 0.00 O +ATOM 7674 H1 WAT 2202 49.755 60.898 27.642 1.00 0.00 H +ATOM 7675 H2 WAT 2202 50.886 61.842 27.292 1.00 0.00 H +TER +ATOM 7676 O WAT 2203 36.560 59.182 16.637 1.00 0.00 O +ATOM 7677 H1 WAT 2203 37.269 58.760 16.152 1.00 0.00 H +ATOM 7678 H2 WAT 2203 35.844 59.249 16.005 1.00 0.00 H +TER +ATOM 7679 O WAT 2204 36.207 55.236 15.677 1.00 0.00 O +ATOM 7680 H1 WAT 2204 36.930 55.777 15.995 1.00 0.00 H +ATOM 7681 H2 WAT 2204 36.479 54.962 14.801 1.00 0.00 H +TER +ATOM 7682 O WAT 2205 50.016 60.105 19.944 1.00 0.00 O +ATOM 7683 H1 WAT 2205 50.512 59.872 20.729 1.00 0.00 H +ATOM 7684 H2 WAT 2205 49.818 59.266 19.528 1.00 0.00 H +TER +ATOM 7685 O WAT 2206 35.896 54.486 25.579 1.00 0.00 O +ATOM 7686 H1 WAT 2206 36.544 53.936 25.139 1.00 0.00 H +ATOM 7687 H2 WAT 2206 36.316 54.741 26.401 1.00 0.00 H +TER +ATOM 7688 O WAT 2207 51.445 58.741 22.478 1.00 0.00 O +ATOM 7689 H1 WAT 2207 51.335 58.587 23.416 1.00 0.00 H +ATOM 7690 H2 WAT 2207 52.206 58.213 22.236 1.00 0.00 H +TER +ATOM 7691 O WAT 2208 49.791 54.680 28.936 1.00 0.00 O +ATOM 7692 H1 WAT 2208 50.429 55.294 29.302 1.00 0.00 H +ATOM 7693 H2 WAT 2208 49.939 54.717 27.991 1.00 0.00 H +TER +ATOM 7694 O WAT 2209 52.334 56.572 15.719 1.00 0.00 O +ATOM 7695 H1 WAT 2209 53.259 56.440 15.511 1.00 0.00 H +ATOM 7696 H2 WAT 2209 52.311 56.651 16.672 1.00 0.00 H +TER +ATOM 7697 O WAT 2210 52.408 57.343 18.344 1.00 0.00 O +ATOM 7698 H1 WAT 2210 51.613 57.277 18.874 1.00 0.00 H +ATOM 7699 H2 WAT 2210 52.612 58.278 18.333 1.00 0.00 H +TER +ATOM 7700 O WAT 2211 35.649 54.642 28.322 1.00 0.00 O +ATOM 7701 H1 WAT 2211 35.301 55.098 29.088 1.00 0.00 H +ATOM 7702 H2 WAT 2211 35.318 53.748 28.404 1.00 0.00 H +TER +ATOM 7703 O WAT 2212 43.162 55.833 31.844 1.00 0.00 O +ATOM 7704 H1 WAT 2212 43.101 56.425 32.593 1.00 0.00 H +ATOM 7705 H2 WAT 2212 44.102 55.726 31.699 1.00 0.00 H +TER +ATOM 7706 O WAT 2213 45.799 55.490 31.483 1.00 0.00 O +ATOM 7707 H1 WAT 2213 46.413 55.808 30.821 1.00 0.00 H +ATOM 7708 H2 WAT 2213 46.344 55.005 32.103 1.00 0.00 H +TER +ATOM 7709 O WAT 2214 36.321 54.170 31.597 1.00 0.00 O +ATOM 7710 H1 WAT 2214 36.870 53.988 30.834 1.00 0.00 H +ATOM 7711 H2 WAT 2214 36.387 53.379 32.133 1.00 0.00 H +TER +ATOM 7712 O WAT 2215 46.540 54.053 27.810 1.00 0.00 O +ATOM 7713 H1 WAT 2215 45.666 54.387 27.607 1.00 0.00 H +ATOM 7714 H2 WAT 2215 46.431 53.581 28.635 1.00 0.00 H +TER +ATOM 7715 O WAT 2216 47.447 56.260 29.194 1.00 0.00 O +ATOM 7716 H1 WAT 2216 47.119 55.446 28.814 1.00 0.00 H +ATOM 7717 H2 WAT 2216 48.396 56.217 29.071 1.00 0.00 H +TER +ATOM 7718 O WAT 2217 44.288 54.970 26.749 1.00 0.00 O +ATOM 7719 H1 WAT 2217 43.505 55.445 27.029 1.00 0.00 H +ATOM 7720 H2 WAT 2217 43.994 54.066 26.641 1.00 0.00 H +TER +ATOM 7721 O WAT 2218 48.840 55.673 24.794 1.00 0.00 O +ATOM 7722 H1 WAT 2218 49.281 55.617 23.946 1.00 0.00 H +ATOM 7723 H2 WAT 2218 48.571 56.588 24.865 1.00 0.00 H +TER +ATOM 7724 O WAT 2219 50.704 55.304 22.805 1.00 0.00 O +ATOM 7725 H1 WAT 2219 50.642 54.360 22.658 1.00 0.00 H +ATOM 7726 H2 WAT 2219 51.483 55.412 23.350 1.00 0.00 H +TER +ATOM 7727 O WAT 2220 35.632 55.275 19.271 1.00 0.00 O +ATOM 7728 H1 WAT 2220 36.390 55.388 18.697 1.00 0.00 H +ATOM 7729 H2 WAT 2220 35.169 56.112 19.225 1.00 0.00 H +TER +ATOM 7730 O WAT 2221 42.173 57.389 22.261 1.00 0.00 O +ATOM 7731 H1 WAT 2221 41.361 57.015 21.921 1.00 0.00 H +ATOM 7732 H2 WAT 2221 42.677 56.633 22.563 1.00 0.00 H +TER +ATOM 7733 O WAT 2222 46.676 54.053 23.499 1.00 0.00 O +ATOM 7734 H1 WAT 2222 47.278 54.625 23.974 1.00 0.00 H +ATOM 7735 H2 WAT 2222 45.935 54.617 23.277 1.00 0.00 H +TER +ATOM 7736 O WAT 2223 49.819 54.455 18.773 1.00 0.00 O +ATOM 7737 H1 WAT 2223 50.014 55.354 19.040 1.00 0.00 H +ATOM 7738 H2 WAT 2223 49.032 54.224 19.267 1.00 0.00 H +TER +ATOM 7739 O WAT 2224 38.004 55.801 17.811 1.00 0.00 O +ATOM 7740 H1 WAT 2224 38.533 55.014 17.682 1.00 0.00 H +ATOM 7741 H2 WAT 2224 38.637 56.481 18.044 1.00 0.00 H +TER +ATOM 7742 O WAT 2225 40.198 55.539 20.865 1.00 0.00 O +ATOM 7743 H1 WAT 2225 39.568 54.838 21.032 1.00 0.00 H +ATOM 7744 H2 WAT 2225 39.658 56.299 20.649 1.00 0.00 H +TER +ATOM 7745 O WAT 2226 40.324 54.817 33.301 1.00 0.00 O +ATOM 7746 H1 WAT 2226 40.042 55.321 32.537 1.00 0.00 H +ATOM 7747 H2 WAT 2226 40.706 54.020 32.935 1.00 0.00 H +TER +ATOM 7748 O WAT 2227 46.925 54.233 33.879 1.00 0.00 O +ATOM 7749 H1 WAT 2227 46.812 54.552 34.774 1.00 0.00 H +ATOM 7750 H2 WAT 2227 47.742 54.634 33.582 1.00 0.00 H +TER +ATOM 7751 O WAT 2228 45.831 62.252 4.242 1.00 0.00 O +ATOM 7752 H1 WAT 2228 45.750 61.337 3.971 1.00 0.00 H +ATOM 7753 H2 WAT 2228 45.417 62.749 3.536 1.00 0.00 H +TER +ATOM 7754 O WAT 2229 43.963 64.030 6.123 1.00 0.00 O +ATOM 7755 H1 WAT 2229 43.187 63.550 6.413 1.00 0.00 H +ATOM 7756 H2 WAT 2229 44.614 63.350 5.949 1.00 0.00 H +TER +ATOM 7757 O WAT 2230 37.979 64.342 7.001 1.00 0.00 O +ATOM 7758 H1 WAT 2230 37.148 64.087 7.400 1.00 0.00 H +ATOM 7759 H2 WAT 2230 38.587 64.413 7.737 1.00 0.00 H +TER +ATOM 7760 O WAT 2231 34.352 61.903 6.669 1.00 0.00 O +ATOM 7761 H1 WAT 2231 34.923 61.135 6.669 1.00 0.00 H +ATOM 7762 H2 WAT 2231 34.352 62.201 5.760 1.00 0.00 H +TER +ATOM 7763 O WAT 2232 43.404 66.706 6.130 1.00 0.00 O +ATOM 7764 H1 WAT 2232 43.334 65.765 5.969 1.00 0.00 H +ATOM 7765 H2 WAT 2232 44.166 66.796 6.702 1.00 0.00 H +TER +ATOM 7766 O WAT 2233 35.594 57.311 8.456 1.00 0.00 O +ATOM 7767 H1 WAT 2233 35.415 56.414 8.736 1.00 0.00 H +ATOM 7768 H2 WAT 2233 35.192 57.858 9.131 1.00 0.00 H +TER +ATOM 7769 O WAT 2234 44.434 59.513 6.357 1.00 0.00 O +ATOM 7770 H1 WAT 2234 44.811 58.640 6.244 1.00 0.00 H +ATOM 7771 H2 WAT 2234 44.336 59.849 5.466 1.00 0.00 H +TER +ATOM 7772 O WAT 2235 48.217 57.008 3.290 1.00 0.00 O +ATOM 7773 H1 WAT 2235 49.037 56.517 3.332 1.00 0.00 H +ATOM 7774 H2 WAT 2235 48.250 57.597 4.043 1.00 0.00 H +TER +ATOM 7775 O WAT 2236 36.213 59.807 7.064 1.00 0.00 O +ATOM 7776 H1 WAT 2236 36.894 60.071 7.683 1.00 0.00 H +ATOM 7777 H2 WAT 2236 35.898 58.967 7.398 1.00 0.00 H +TER +ATOM 7778 O WAT 2237 40.405 60.854 6.151 1.00 0.00 O +ATOM 7779 H1 WAT 2237 40.913 61.352 6.792 1.00 0.00 H +ATOM 7780 H2 WAT 2237 40.937 60.077 5.975 1.00 0.00 H +TER +ATOM 7781 O WAT 2238 52.506 59.024 9.854 1.00 0.00 O +ATOM 7782 H1 WAT 2238 51.802 59.413 9.336 1.00 0.00 H +ATOM 7783 H2 WAT 2238 52.772 59.719 10.456 1.00 0.00 H +TER +ATOM 7784 O WAT 2239 38.689 55.494 10.418 1.00 0.00 O +ATOM 7785 H1 WAT 2239 38.691 56.011 9.612 1.00 0.00 H +ATOM 7786 H2 WAT 2239 37.859 55.017 10.395 1.00 0.00 H +TER +ATOM 7787 O WAT 2240 39.939 65.133 8.595 1.00 0.00 O +ATOM 7788 H1 WAT 2240 39.606 65.760 9.237 1.00 0.00 H +ATOM 7789 H2 WAT 2240 40.116 65.659 7.815 1.00 0.00 H +TER +ATOM 7790 O WAT 2241 48.453 58.948 6.063 1.00 0.00 O +ATOM 7791 H1 WAT 2241 47.748 59.236 6.643 1.00 0.00 H +ATOM 7792 H2 WAT 2241 48.814 59.758 5.703 1.00 0.00 H +TER +ATOM 7793 O WAT 2242 38.371 57.205 8.425 1.00 0.00 O +ATOM 7794 H1 WAT 2242 38.712 58.049 8.130 1.00 0.00 H +ATOM 7795 H2 WAT 2242 37.432 57.353 8.541 1.00 0.00 H +TER +ATOM 7796 O WAT 2243 39.151 67.101 10.410 1.00 0.00 O +ATOM 7797 H1 WAT 2243 39.769 67.776 10.128 1.00 0.00 H +ATOM 7798 H2 WAT 2243 38.291 67.510 10.319 1.00 0.00 H +TER +ATOM 7799 O WAT 2244 51.521 58.393 6.454 1.00 0.00 O +ATOM 7800 H1 WAT 2244 50.574 58.427 6.585 1.00 0.00 H +ATOM 7801 H2 WAT 2244 51.846 59.207 6.838 1.00 0.00 H +TER +ATOM 7802 O WAT 2245 42.053 54.693 4.749 1.00 0.00 O +ATOM 7803 H1 WAT 2245 42.361 54.138 4.033 1.00 0.00 H +ATOM 7804 H2 WAT 2245 41.123 54.827 4.566 1.00 0.00 H +TER +ATOM 7805 O WAT 2246 48.899 67.131 2.129 1.00 0.00 O +ATOM 7806 H1 WAT 2246 48.789 66.189 2.254 1.00 0.00 H +ATOM 7807 H2 WAT 2246 48.896 67.493 3.015 1.00 0.00 H +TER +ATOM 7808 O WAT 2247 47.003 65.313 8.368 1.00 0.00 O +ATOM 7809 H1 WAT 2247 47.420 65.099 7.534 1.00 0.00 H +ATOM 7810 H2 WAT 2247 47.727 65.570 8.939 1.00 0.00 H +TER +ATOM 7811 O WAT 2248 50.950 63.711 8.460 1.00 0.00 O +ATOM 7812 H1 WAT 2248 50.121 63.781 7.985 1.00 0.00 H +ATOM 7813 H2 WAT 2248 51.545 64.297 7.991 1.00 0.00 H +TER +ATOM 7814 O WAT 2249 47.914 60.498 9.405 1.00 0.00 O +ATOM 7815 H1 WAT 2249 47.501 61.324 9.659 1.00 0.00 H +ATOM 7816 H2 WAT 2249 47.181 59.913 9.213 1.00 0.00 H +TER +ATOM 7817 O WAT 2250 40.047 63.284 4.267 1.00 0.00 O +ATOM 7818 H1 WAT 2250 39.643 62.572 3.772 1.00 0.00 H +ATOM 7819 H2 WAT 2250 40.133 62.940 5.156 1.00 0.00 H +TER +ATOM 7820 O WAT 2251 40.515 66.971 6.431 1.00 0.00 O +ATOM 7821 H1 WAT 2251 40.218 66.366 5.752 1.00 0.00 H +ATOM 7822 H2 WAT 2251 41.465 67.009 6.320 1.00 0.00 H +TER +ATOM 7823 O WAT 2252 38.760 60.059 8.047 1.00 0.00 O +ATOM 7824 H1 WAT 2252 39.311 60.168 7.272 1.00 0.00 H +ATOM 7825 H2 WAT 2252 39.274 60.432 8.763 1.00 0.00 H +TER +ATOM 7826 O WAT 2253 39.607 66.709 13.082 1.00 0.00 O +ATOM 7827 H1 WAT 2253 38.710 66.933 13.329 1.00 0.00 H +ATOM 7828 H2 WAT 2253 39.632 66.833 12.133 1.00 0.00 H +TER +ATOM 7829 O WAT 2254 38.434 63.581 11.658 1.00 0.00 O +ATOM 7830 H1 WAT 2254 38.295 64.453 12.026 1.00 0.00 H +ATOM 7831 H2 WAT 2254 37.552 63.238 11.512 1.00 0.00 H +TER +ATOM 7832 O WAT 2255 34.386 65.350 7.575 1.00 0.00 O +ATOM 7833 H1 WAT 2255 34.464 65.485 6.630 1.00 0.00 H +ATOM 7834 H2 WAT 2255 35.000 64.642 7.767 1.00 0.00 H +TER +ATOM 7835 O WAT 2256 35.631 67.050 3.985 1.00 0.00 O +ATOM 7836 H1 WAT 2256 35.224 67.192 3.131 1.00 0.00 H +ATOM 7837 H2 WAT 2256 36.522 66.766 3.782 1.00 0.00 H +TER +ATOM 7838 O WAT 2257 51.587 67.497 12.323 1.00 0.00 O +ATOM 7839 H1 WAT 2257 51.713 67.258 11.404 1.00 0.00 H +ATOM 7840 H2 WAT 2257 51.629 66.665 12.795 1.00 0.00 H +TER +ATOM 7841 O WAT 2258 51.439 59.550 13.287 1.00 0.00 O +ATOM 7842 H1 WAT 2258 50.824 60.058 12.759 1.00 0.00 H +ATOM 7843 H2 WAT 2258 51.119 58.650 13.230 1.00 0.00 H +TER +ATOM 7844 O WAT 2259 34.442 66.392 10.114 1.00 0.00 O +ATOM 7845 H1 WAT 2259 34.605 65.922 9.296 1.00 0.00 H +ATOM 7846 H2 WAT 2259 34.907 65.884 10.779 1.00 0.00 H +TER +ATOM 7847 O WAT 2260 39.214 55.522 5.150 1.00 0.00 O +ATOM 7848 H1 WAT 2260 38.771 56.303 4.819 1.00 0.00 H +ATOM 7849 H2 WAT 2260 39.772 55.845 5.857 1.00 0.00 H +TER +ATOM 7850 O WAT 2261 43.501 58.389 10.754 1.00 0.00 O +ATOM 7851 H1 WAT 2261 43.039 58.597 11.566 1.00 0.00 H +ATOM 7852 H2 WAT 2261 43.099 57.575 10.451 1.00 0.00 H +TER +ATOM 7853 O WAT 2262 48.501 59.610 11.883 1.00 0.00 O +ATOM 7854 H1 WAT 2262 47.651 59.311 12.204 1.00 0.00 H +ATOM 7855 H2 WAT 2262 48.341 59.854 10.972 1.00 0.00 H +TER +ATOM 7856 O WAT 2263 45.596 61.110 13.983 1.00 0.00 O +ATOM 7857 H1 WAT 2263 45.922 60.277 13.643 1.00 0.00 H +ATOM 7858 H2 WAT 2263 46.384 61.633 14.131 1.00 0.00 H +TER +ATOM 7859 O WAT 2264 41.251 56.067 7.009 1.00 0.00 O +ATOM 7860 H1 WAT 2264 41.549 56.973 6.928 1.00 0.00 H +ATOM 7861 H2 WAT 2264 41.800 55.579 6.395 1.00 0.00 H +TER +ATOM 7862 O WAT 2265 39.005 60.646 2.878 1.00 0.00 O +ATOM 7863 H1 WAT 2265 38.779 60.429 3.783 1.00 0.00 H +ATOM 7864 H2 WAT 2265 38.225 61.078 2.533 1.00 0.00 H +TER +ATOM 7865 O WAT 2266 41.445 61.544 13.544 1.00 0.00 O +ATOM 7866 H1 WAT 2266 41.350 60.604 13.394 1.00 0.00 H +ATOM 7867 H2 WAT 2266 42.288 61.766 13.149 1.00 0.00 H +TER +ATOM 7868 O WAT 2267 44.842 59.288 3.508 1.00 0.00 O +ATOM 7869 H1 WAT 2267 45.235 59.606 2.695 1.00 0.00 H +ATOM 7870 H2 WAT 2267 45.203 58.410 3.622 1.00 0.00 H +TER +ATOM 7871 O WAT 2268 36.576 57.956 11.698 1.00 0.00 O +ATOM 7872 H1 WAT 2268 36.183 58.803 11.905 1.00 0.00 H +ATOM 7873 H2 WAT 2268 35.888 57.318 11.889 1.00 0.00 H +TER +ATOM 7874 O WAT 2269 43.151 58.039 14.767 1.00 0.00 O +ATOM 7875 H1 WAT 2269 42.461 57.846 15.402 1.00 0.00 H +ATOM 7876 H2 WAT 2269 43.894 58.323 15.300 1.00 0.00 H +TER +ATOM 7877 O WAT 2270 33.878 55.878 5.731 1.00 0.00 O +ATOM 7878 H1 WAT 2270 33.589 56.449 6.443 1.00 0.00 H +ATOM 7879 H2 WAT 2270 34.623 55.399 6.094 1.00 0.00 H +TER +ATOM 7880 O WAT 2271 45.427 61.879 7.603 1.00 0.00 O +ATOM 7881 H1 WAT 2271 44.695 62.388 7.952 1.00 0.00 H +ATOM 7882 H2 WAT 2271 45.030 61.062 7.302 1.00 0.00 H +TER +ATOM 7883 O WAT 2272 41.865 58.554 6.008 1.00 0.00 O +ATOM 7884 H1 WAT 2272 41.868 58.113 5.158 1.00 0.00 H +ATOM 7885 H2 WAT 2272 42.760 58.876 6.115 1.00 0.00 H +TER +ATOM 7886 O WAT 2273 37.715 58.437 4.967 1.00 0.00 O +ATOM 7887 H1 WAT 2273 37.375 58.914 5.724 1.00 0.00 H +ATOM 7888 H2 WAT 2273 36.953 57.983 4.608 1.00 0.00 H +TER +ATOM 7889 O WAT 2274 45.890 57.332 7.015 1.00 0.00 O +ATOM 7890 H1 WAT 2274 45.907 57.783 7.859 1.00 0.00 H +ATOM 7891 H2 WAT 2274 45.641 56.433 7.228 1.00 0.00 H +TER +ATOM 7892 O WAT 2275 49.317 54.745 12.854 1.00 0.00 O +ATOM 7893 H1 WAT 2275 49.641 54.014 13.380 1.00 0.00 H +ATOM 7894 H2 WAT 2275 49.352 54.427 11.952 1.00 0.00 H +TER +ATOM 7895 O WAT 2276 36.016 65.767 12.274 1.00 0.00 O +ATOM 7896 H1 WAT 2276 35.631 65.126 12.872 1.00 0.00 H +ATOM 7897 H2 WAT 2276 36.327 66.470 12.843 1.00 0.00 H +TER +ATOM 7898 O WAT 2277 42.166 62.615 7.755 1.00 0.00 O +ATOM 7899 H1 WAT 2277 42.533 62.140 8.501 1.00 0.00 H +ATOM 7900 H2 WAT 2277 41.976 63.489 8.095 1.00 0.00 H +TER +ATOM 7901 O WAT 2278 35.030 57.359 3.884 1.00 0.00 O +ATOM 7902 H1 WAT 2278 34.744 56.994 4.722 1.00 0.00 H +ATOM 7903 H2 WAT 2278 34.968 56.627 3.270 1.00 0.00 H +TER +ATOM 7904 O WAT 2279 39.956 61.655 10.073 1.00 0.00 O +ATOM 7905 H1 WAT 2279 39.651 62.535 10.298 1.00 0.00 H +ATOM 7906 H2 WAT 2279 40.910 61.715 10.109 1.00 0.00 H +TER +ATOM 7907 O WAT 2280 49.243 64.858 6.462 1.00 0.00 O +ATOM 7908 H1 WAT 2280 49.962 65.354 6.072 1.00 0.00 H +ATOM 7909 H2 WAT 2280 49.041 64.180 5.818 1.00 0.00 H +TER +ATOM 7910 O WAT 2281 44.624 64.929 12.349 1.00 0.00 O +ATOM 7911 H1 WAT 2281 44.558 64.008 12.095 1.00 0.00 H +ATOM 7912 H2 WAT 2281 43.995 65.026 13.064 1.00 0.00 H +TER +ATOM 7913 O WAT 2282 38.527 65.530 4.308 1.00 0.00 O +ATOM 7914 H1 WAT 2282 39.045 64.726 4.253 1.00 0.00 H +ATOM 7915 H2 WAT 2282 38.076 65.467 5.149 1.00 0.00 H +TER +ATOM 7916 O WAT 2283 36.012 62.496 11.220 1.00 0.00 O +ATOM 7917 H1 WAT 2283 35.653 63.161 11.807 1.00 0.00 H +ATOM 7918 H2 WAT 2283 35.717 61.664 11.591 1.00 0.00 H +TER +ATOM 7919 O WAT 2284 39.213 62.954 14.104 1.00 0.00 O +ATOM 7920 H1 WAT 2284 38.913 63.100 13.207 1.00 0.00 H +ATOM 7921 H2 WAT 2284 39.984 62.395 14.011 1.00 0.00 H +TER +ATOM 7922 O WAT 2285 44.556 67.751 12.100 1.00 0.00 O +ATOM 7923 H1 WAT 2285 44.571 66.819 11.881 1.00 0.00 H +ATOM 7924 H2 WAT 2285 43.849 67.837 12.739 1.00 0.00 H +TER +ATOM 7925 O WAT 2286 50.767 64.392 11.446 1.00 0.00 O +ATOM 7926 H1 WAT 2286 50.042 64.985 11.249 1.00 0.00 H +ATOM 7927 H2 WAT 2286 51.295 64.384 10.648 1.00 0.00 H +TER +ATOM 7928 O WAT 2287 46.297 66.118 4.945 1.00 0.00 O +ATOM 7929 H1 WAT 2287 46.650 65.521 4.285 1.00 0.00 H +ATOM 7930 H2 WAT 2287 45.413 65.792 5.116 1.00 0.00 H +TER +ATOM 7931 O WAT 2288 42.383 66.877 2.352 1.00 0.00 O +ATOM 7932 H1 WAT 2288 43.071 67.424 2.733 1.00 0.00 H +ATOM 7933 H2 WAT 2288 41.597 67.422 2.387 1.00 0.00 H +TER +ATOM 7934 O WAT 2289 37.587 54.226 2.437 1.00 0.00 O +ATOM 7935 H1 WAT 2289 37.459 54.218 3.385 1.00 0.00 H +ATOM 7936 H2 WAT 2289 36.764 54.564 2.086 1.00 0.00 H +TER +ATOM 7937 O WAT 2290 34.587 55.985 11.897 1.00 0.00 O +ATOM 7938 H1 WAT 2290 33.873 56.185 12.503 1.00 0.00 H +ATOM 7939 H2 WAT 2290 35.006 55.209 12.269 1.00 0.00 H +TER +ATOM 7940 O WAT 2291 46.081 58.477 9.647 1.00 0.00 O +ATOM 7941 H1 WAT 2291 46.449 57.657 9.975 1.00 0.00 H +ATOM 7942 H2 WAT 2291 45.220 58.537 10.063 1.00 0.00 H +TER +ATOM 7943 O WAT 2292 43.041 61.131 9.871 1.00 0.00 O +ATOM 7944 H1 WAT 2292 43.539 61.606 10.536 1.00 0.00 H +ATOM 7945 H2 WAT 2292 43.183 60.208 10.078 1.00 0.00 H +TER +ATOM 7946 O WAT 2293 45.447 56.437 3.312 1.00 0.00 O +ATOM 7947 H1 WAT 2293 45.324 56.455 2.363 1.00 0.00 H +ATOM 7948 H2 WAT 2293 46.395 56.484 3.431 1.00 0.00 H +TER +ATOM 7949 O WAT 2294 50.248 57.348 10.714 1.00 0.00 O +ATOM 7950 H1 WAT 2294 49.745 58.088 11.053 1.00 0.00 H +ATOM 7951 H2 WAT 2294 51.063 57.736 10.398 1.00 0.00 H +TER +ATOM 7952 O WAT 2295 48.540 62.591 4.160 1.00 0.00 O +ATOM 7953 H1 WAT 2295 47.599 62.606 4.335 1.00 0.00 H +ATOM 7954 H2 WAT 2295 48.854 61.805 4.606 1.00 0.00 H +TER +ATOM 7955 O WAT 2296 45.856 67.148 14.643 1.00 0.00 O +ATOM 7956 H1 WAT 2296 45.250 67.171 13.903 1.00 0.00 H +ATOM 7957 H2 WAT 2296 45.552 66.416 15.180 1.00 0.00 H +TER +ATOM 7958 O WAT 2297 34.740 63.527 13.640 1.00 0.00 O +ATOM 7959 H1 WAT 2297 35.244 62.948 14.211 1.00 0.00 H +ATOM 7960 H2 WAT 2297 34.000 63.811 14.177 1.00 0.00 H +TER +ATOM 7961 O WAT 2298 41.793 64.934 13.173 1.00 0.00 O +ATOM 7962 H1 WAT 2298 41.028 65.503 13.089 1.00 0.00 H +ATOM 7963 H2 WAT 2298 41.975 64.642 12.280 1.00 0.00 H +TER +ATOM 7964 O WAT 2299 48.936 66.665 13.731 1.00 0.00 O +ATOM 7965 H1 WAT 2299 49.677 67.002 13.227 1.00 0.00 H +ATOM 7966 H2 WAT 2299 48.173 66.834 13.178 1.00 0.00 H +TER +ATOM 7967 O WAT 2300 36.772 61.670 14.535 1.00 0.00 O +ATOM 7968 H1 WAT 2300 36.813 61.372 15.443 1.00 0.00 H +ATOM 7969 H2 WAT 2300 37.627 62.071 14.375 1.00 0.00 H +TER +ATOM 7970 O WAT 2301 38.713 60.249 12.502 1.00 0.00 O +ATOM 7971 H1 WAT 2301 38.182 59.758 11.874 1.00 0.00 H +ATOM 7972 H2 WAT 2301 39.381 60.678 11.968 1.00 0.00 H +TER +ATOM 7973 O WAT 2302 47.610 64.716 12.266 1.00 0.00 O +ATOM 7974 H1 WAT 2302 48.024 64.871 13.115 1.00 0.00 H +ATOM 7975 H2 WAT 2302 46.675 64.842 12.429 1.00 0.00 H +TER +ATOM 7976 O WAT 2303 48.083 62.056 14.270 1.00 0.00 O +ATOM 7977 H1 WAT 2303 48.665 61.301 14.182 1.00 0.00 H +ATOM 7978 H2 WAT 2303 48.259 62.587 13.493 1.00 0.00 H +TER +ATOM 7979 O WAT 2304 39.200 57.216 12.582 1.00 0.00 O +ATOM 7980 H1 WAT 2304 39.105 56.598 11.857 1.00 0.00 H +ATOM 7981 H2 WAT 2304 38.620 57.942 12.355 1.00 0.00 H +TER +ATOM 7982 O WAT 2305 41.966 55.773 9.614 1.00 0.00 O +ATOM 7983 H1 WAT 2305 41.518 55.795 8.769 1.00 0.00 H +ATOM 7984 H2 WAT 2305 41.332 55.375 10.212 1.00 0.00 H +TER +ATOM 7985 O WAT 2306 42.372 64.668 10.236 1.00 0.00 O +ATOM 7986 H1 WAT 2306 42.791 65.512 10.063 1.00 0.00 H +ATOM 7987 H2 WAT 2306 41.453 64.806 10.006 1.00 0.00 H +TER +ATOM 7988 O WAT 2307 44.708 62.400 11.620 1.00 0.00 O +ATOM 7989 H1 WAT 2307 44.828 61.804 12.359 1.00 0.00 H +ATOM 7990 H2 WAT 2307 45.568 62.437 11.200 1.00 0.00 H +TER +ATOM 7991 O WAT 2308 47.047 62.954 10.196 1.00 0.00 O +ATOM 7992 H1 WAT 2308 46.521 63.478 9.592 1.00 0.00 H +ATOM 7993 H2 WAT 2308 47.390 63.586 10.827 1.00 0.00 H +TER +ATOM 7994 O WAT 2309 41.475 58.942 12.877 1.00 0.00 O +ATOM 7995 H1 WAT 2309 42.065 58.634 13.565 1.00 0.00 H +ATOM 7996 H2 WAT 2309 40.657 58.470 13.033 1.00 0.00 H +TER +ATOM 7997 O WAT 2310 46.295 58.559 13.110 1.00 0.00 O +ATOM 7998 H1 WAT 2310 45.606 57.897 13.045 1.00 0.00 H +ATOM 7999 H2 WAT 2310 47.015 58.113 13.555 1.00 0.00 H +TER +ATOM 8000 O WAT 2311 39.078 67.867 2.574 1.00 0.00 O +ATOM 8001 H1 WAT 2311 38.777 67.744 3.474 1.00 0.00 H +ATOM 8002 H2 WAT 2311 38.972 67.008 2.165 1.00 0.00 H +TER +ATOM 8003 O WAT 2312 34.803 62.915 4.011 1.00 0.00 O +ATOM 8004 H1 WAT 2312 34.148 62.647 3.367 1.00 0.00 H +ATOM 8005 H2 WAT 2312 35.641 62.806 3.561 1.00 0.00 H +TER +ATOM 8006 O WAT 2313 52.309 65.247 4.624 1.00 0.00 O +ATOM 8007 H1 WAT 2313 52.679 64.463 4.218 1.00 0.00 H +ATOM 8008 H2 WAT 2313 52.949 65.935 4.446 1.00 0.00 H +TER +ATOM 8009 O WAT 2314 49.292 66.630 10.037 1.00 0.00 O +ATOM 8010 H1 WAT 2314 48.478 67.060 10.300 1.00 0.00 H +ATOM 8011 H2 WAT 2314 49.699 67.242 9.424 1.00 0.00 H +TER +ATOM 8012 O WAT 2315 35.841 63.301 8.551 1.00 0.00 O +ATOM 8013 H1 WAT 2315 36.208 63.213 9.431 1.00 0.00 H +ATOM 8014 H2 WAT 2315 35.272 62.537 8.452 1.00 0.00 H +TER +ATOM 8015 O WAT 2316 50.641 61.769 11.564 1.00 0.00 O +ATOM 8016 H1 WAT 2316 50.410 61.540 10.664 1.00 0.00 H +ATOM 8017 H2 WAT 2316 50.901 62.689 11.518 1.00 0.00 H +TER +ATOM 8018 O WAT 2317 35.392 60.212 12.457 1.00 0.00 O +ATOM 8019 H1 WAT 2317 34.498 60.178 12.796 1.00 0.00 H +ATOM 8020 H2 WAT 2317 35.932 60.410 13.222 1.00 0.00 H +TER +ATOM 8021 O WAT 2318 49.080 56.995 14.342 1.00 0.00 O +ATOM 8022 H1 WAT 2318 49.957 57.003 14.725 1.00 0.00 H +ATOM 8023 H2 WAT 2318 49.092 56.258 13.731 1.00 0.00 H +TER +ATOM 8024 O WAT 2319 50.526 60.848 5.231 1.00 0.00 O +ATOM 8025 H1 WAT 2319 51.050 60.354 4.600 1.00 0.00 H +ATOM 8026 H2 WAT 2319 51.112 60.983 5.975 1.00 0.00 H +TER +ATOM 8027 O WAT 2320 50.705 60.932 8.753 1.00 0.00 O +ATOM 8028 H1 WAT 2320 49.755 60.898 8.867 1.00 0.00 H +ATOM 8029 H2 WAT 2320 50.886 61.842 8.518 1.00 0.00 H +TER +ATOM 8030 O WAT 2321 35.896 54.486 6.805 1.00 0.00 O +ATOM 8031 H1 WAT 2321 36.544 53.936 6.365 1.00 0.00 H +ATOM 8032 H2 WAT 2321 36.316 54.741 7.627 1.00 0.00 H +TER +ATOM 8033 O WAT 2322 51.445 58.741 3.704 1.00 0.00 O +ATOM 8034 H1 WAT 2322 51.335 58.587 4.642 1.00 0.00 H +ATOM 8035 H2 WAT 2322 52.206 58.213 3.461 1.00 0.00 H +TER +ATOM 8036 O WAT 2323 49.791 54.680 10.162 1.00 0.00 O +ATOM 8037 H1 WAT 2323 50.429 55.294 10.528 1.00 0.00 H +ATOM 8038 H2 WAT 2323 49.939 54.717 9.217 1.00 0.00 H +TER +ATOM 8039 O WAT 2324 35.649 54.642 9.548 1.00 0.00 O +ATOM 8040 H1 WAT 2324 35.301 55.098 10.313 1.00 0.00 H +ATOM 8041 H2 WAT 2324 35.318 53.748 9.630 1.00 0.00 H +TER +ATOM 8042 O WAT 2325 43.162 55.833 13.070 1.00 0.00 O +ATOM 8043 H1 WAT 2325 43.101 56.425 13.819 1.00 0.00 H +ATOM 8044 H2 WAT 2325 44.102 55.726 12.925 1.00 0.00 H +TER +ATOM 8045 O WAT 2326 45.799 55.490 12.709 1.00 0.00 O +ATOM 8046 H1 WAT 2326 46.413 55.808 12.047 1.00 0.00 H +ATOM 8047 H2 WAT 2326 46.344 55.005 13.328 1.00 0.00 H +TER +ATOM 8048 O WAT 2327 36.321 54.170 12.823 1.00 0.00 O +ATOM 8049 H1 WAT 2327 36.870 53.988 12.059 1.00 0.00 H +ATOM 8050 H2 WAT 2327 36.387 53.379 13.358 1.00 0.00 H +TER +ATOM 8051 O WAT 2328 46.540 54.053 9.036 1.00 0.00 O +ATOM 8052 H1 WAT 2328 45.666 54.387 8.833 1.00 0.00 H +ATOM 8053 H2 WAT 2328 46.431 53.581 9.861 1.00 0.00 H +TER +ATOM 8054 O WAT 2329 47.447 56.260 10.420 1.00 0.00 O +ATOM 8055 H1 WAT 2329 47.119 55.446 10.040 1.00 0.00 H +ATOM 8056 H2 WAT 2329 48.396 56.217 10.296 1.00 0.00 H +TER +ATOM 8057 O WAT 2330 44.288 54.970 7.975 1.00 0.00 O +ATOM 8058 H1 WAT 2330 43.505 55.445 8.255 1.00 0.00 H +ATOM 8059 H2 WAT 2330 43.994 54.066 7.866 1.00 0.00 H +TER +ATOM 8060 O WAT 2331 48.840 55.673 6.020 1.00 0.00 O +ATOM 8061 H1 WAT 2331 49.281 55.617 5.172 1.00 0.00 H +ATOM 8062 H2 WAT 2331 48.571 56.588 6.091 1.00 0.00 H +TER +ATOM 8063 O WAT 2332 50.704 55.304 4.031 1.00 0.00 O +ATOM 8064 H1 WAT 2332 50.642 54.360 3.884 1.00 0.00 H +ATOM 8065 H2 WAT 2332 51.483 55.412 4.576 1.00 0.00 H +TER +ATOM 8066 O WAT 2333 42.173 57.389 3.487 1.00 0.00 O +ATOM 8067 H1 WAT 2333 41.361 57.015 3.146 1.00 0.00 H +ATOM 8068 H2 WAT 2333 42.677 56.633 3.789 1.00 0.00 H +TER +ATOM 8069 O WAT 2334 46.676 54.053 4.725 1.00 0.00 O +ATOM 8070 H1 WAT 2334 47.278 54.625 5.200 1.00 0.00 H +ATOM 8071 H2 WAT 2334 45.935 54.617 4.502 1.00 0.00 H +TER +ATOM 8072 O WAT 2335 40.324 54.817 14.526 1.00 0.00 O +ATOM 8073 H1 WAT 2335 40.042 55.321 13.762 1.00 0.00 H +ATOM 8074 H2 WAT 2335 40.706 54.020 14.161 1.00 0.00 H +TER +ATOM 8075 O WAT 2336 46.925 54.233 15.104 1.00 0.00 O +ATOM 8076 H1 WAT 2336 46.812 54.552 16.000 1.00 0.00 H +ATOM 8077 H2 WAT 2336 47.742 54.634 14.808 1.00 0.00 H +TER +ATOM 8078 O WAT 2337 45.831 43.478 60.565 1.00 0.00 O +ATOM 8079 H1 WAT 2337 45.750 42.563 60.294 1.00 0.00 H +ATOM 8080 H2 WAT 2337 45.417 43.974 59.859 1.00 0.00 H +TER +ATOM 8081 O WAT 2338 43.963 45.256 62.446 1.00 0.00 O +ATOM 8082 H1 WAT 2338 43.187 44.776 62.736 1.00 0.00 H +ATOM 8083 H2 WAT 2338 44.614 44.576 62.272 1.00 0.00 H +TER +ATOM 8084 O WAT 2339 37.979 45.568 63.324 1.00 0.00 O +ATOM 8085 H1 WAT 2339 37.148 45.312 63.723 1.00 0.00 H +ATOM 8086 H2 WAT 2339 38.587 45.639 64.060 1.00 0.00 H +TER +ATOM 8087 O WAT 2340 47.983 49.662 61.226 1.00 0.00 O +ATOM 8088 H1 WAT 2340 47.522 48.890 61.555 1.00 0.00 H +ATOM 8089 H2 WAT 2340 48.796 49.688 61.731 1.00 0.00 H +TER +ATOM 8090 O WAT 2341 37.959 49.602 63.520 1.00 0.00 O +ATOM 8091 H1 WAT 2341 38.262 48.711 63.341 1.00 0.00 H +ATOM 8092 H2 WAT 2341 38.704 50.159 63.292 1.00 0.00 H +TER +ATOM 8093 O WAT 2342 36.388 40.528 57.108 1.00 0.00 O +ATOM 8094 H1 WAT 2342 35.500 40.869 57.006 1.00 0.00 H +ATOM 8095 H2 WAT 2342 36.673 40.328 56.216 1.00 0.00 H +TER +ATOM 8096 O WAT 2343 34.352 43.128 62.992 1.00 0.00 O +ATOM 8097 H1 WAT 2343 34.923 42.360 62.992 1.00 0.00 H +ATOM 8098 H2 WAT 2343 34.352 43.427 62.083 1.00 0.00 H +TER +ATOM 8099 O WAT 2344 44.210 51.947 60.847 1.00 0.00 O +ATOM 8100 H1 WAT 2344 43.591 52.403 60.276 1.00 0.00 H +ATOM 8101 H2 WAT 2344 45.065 52.103 60.445 1.00 0.00 H +TER +ATOM 8102 O WAT 2345 43.404 47.931 62.453 1.00 0.00 O +ATOM 8103 H1 WAT 2345 43.334 46.990 62.292 1.00 0.00 H +ATOM 8104 H2 WAT 2345 44.166 48.021 63.025 1.00 0.00 H +TER +ATOM 8105 O WAT 2346 35.594 38.537 64.779 1.00 0.00 O +ATOM 8106 H1 WAT 2346 35.415 37.639 65.059 1.00 0.00 H +ATOM 8107 H2 WAT 2346 35.192 39.084 65.454 1.00 0.00 H +TER +ATOM 8108 O WAT 2347 44.434 40.738 62.680 1.00 0.00 O +ATOM 8109 H1 WAT 2347 44.811 39.865 62.567 1.00 0.00 H +ATOM 8110 H2 WAT 2347 44.336 41.074 61.789 1.00 0.00 H +TER +ATOM 8111 O WAT 2348 38.565 39.111 58.142 1.00 0.00 O +ATOM 8112 H1 WAT 2348 38.671 40.011 58.449 1.00 0.00 H +ATOM 8113 H2 WAT 2348 37.654 39.063 57.851 1.00 0.00 H +TER +ATOM 8114 O WAT 2349 48.217 38.233 59.613 1.00 0.00 O +ATOM 8115 H1 WAT 2349 49.037 37.743 59.655 1.00 0.00 H +ATOM 8116 H2 WAT 2349 48.250 38.823 60.366 1.00 0.00 H +TER +ATOM 8117 O WAT 2350 36.213 41.033 63.387 1.00 0.00 O +ATOM 8118 H1 WAT 2350 36.894 41.297 64.006 1.00 0.00 H +ATOM 8119 H2 WAT 2350 35.898 40.193 63.721 1.00 0.00 H +TER +ATOM 8120 O WAT 2351 40.405 42.079 62.474 1.00 0.00 O +ATOM 8121 H1 WAT 2351 40.913 42.578 63.115 1.00 0.00 H +ATOM 8122 H2 WAT 2351 40.937 41.303 62.298 1.00 0.00 H +TER +ATOM 8123 O WAT 2352 45.076 46.831 58.240 1.00 0.00 O +ATOM 8124 H1 WAT 2352 44.458 47.296 57.676 1.00 0.00 H +ATOM 8125 H2 WAT 2352 45.588 47.524 58.657 1.00 0.00 H +TER +ATOM 8126 O WAT 2353 39.939 46.359 64.918 1.00 0.00 O +ATOM 8127 H1 WAT 2353 39.606 46.986 65.560 1.00 0.00 H +ATOM 8128 H2 WAT 2353 40.116 46.885 64.138 1.00 0.00 H +TER +ATOM 8129 O WAT 2354 48.453 40.173 62.386 1.00 0.00 O +ATOM 8130 H1 WAT 2354 47.748 40.462 62.966 1.00 0.00 H +ATOM 8131 H2 WAT 2354 48.814 40.983 62.026 1.00 0.00 H +TER +ATOM 8132 O WAT 2355 38.371 38.430 64.748 1.00 0.00 O +ATOM 8133 H1 WAT 2355 38.712 39.275 64.453 1.00 0.00 H +ATOM 8134 H2 WAT 2355 37.432 38.579 64.864 1.00 0.00 H +TER +ATOM 8135 O WAT 2356 34.444 47.517 55.614 1.00 0.00 O +ATOM 8136 H1 WAT 2356 34.067 48.006 54.882 1.00 0.00 H +ATOM 8137 H2 WAT 2356 34.702 48.189 56.244 1.00 0.00 H +TER +ATOM 8138 O WAT 2357 50.069 49.791 64.648 1.00 0.00 O +ATOM 8139 H1 WAT 2357 49.385 50.461 64.640 1.00 0.00 H +ATOM 8140 H2 WAT 2357 50.608 49.989 63.883 1.00 0.00 H +TER +ATOM 8141 O WAT 2358 51.521 39.619 62.777 1.00 0.00 O +ATOM 8142 H1 WAT 2358 50.574 39.653 62.908 1.00 0.00 H +ATOM 8143 H2 WAT 2358 51.846 40.433 63.162 1.00 0.00 H +TER +ATOM 8144 O WAT 2359 42.053 35.919 61.072 1.00 0.00 O +ATOM 8145 H1 WAT 2359 42.361 35.363 60.356 1.00 0.00 H +ATOM 8146 H2 WAT 2359 41.123 36.053 60.890 1.00 0.00 H +TER +ATOM 8147 O WAT 2360 47.605 51.635 63.363 1.00 0.00 O +ATOM 8148 H1 WAT 2360 47.618 51.232 62.495 1.00 0.00 H +ATOM 8149 H2 WAT 2360 47.052 52.410 63.259 1.00 0.00 H +TER +ATOM 8150 O WAT 2361 48.899 48.357 58.452 1.00 0.00 O +ATOM 8151 H1 WAT 2361 48.789 47.414 58.577 1.00 0.00 H +ATOM 8152 H2 WAT 2361 48.896 48.718 59.338 1.00 0.00 H +TER +ATOM 8153 O WAT 2362 47.003 46.538 64.691 1.00 0.00 O +ATOM 8154 H1 WAT 2362 47.420 46.324 63.857 1.00 0.00 H +ATOM 8155 H2 WAT 2362 47.727 46.796 65.262 1.00 0.00 H +TER +ATOM 8156 O WAT 2363 44.441 43.983 57.808 1.00 0.00 O +ATOM 8157 H1 WAT 2363 43.514 43.917 58.037 1.00 0.00 H +ATOM 8158 H2 WAT 2363 44.594 44.921 57.694 1.00 0.00 H +TER +ATOM 8159 O WAT 2364 50.950 44.937 64.783 1.00 0.00 O +ATOM 8160 H1 WAT 2364 50.121 45.006 64.308 1.00 0.00 H +ATOM 8161 H2 WAT 2364 51.545 45.522 64.314 1.00 0.00 H +TER +ATOM 8162 O WAT 2365 48.471 45.545 58.312 1.00 0.00 O +ATOM 8163 H1 WAT 2365 47.852 45.207 57.664 1.00 0.00 H +ATOM 8164 H2 WAT 2365 48.454 44.901 59.020 1.00 0.00 H +TER +ATOM 8165 O WAT 2366 47.914 41.724 65.728 1.00 0.00 O +ATOM 8166 H1 WAT 2366 47.501 42.549 65.982 1.00 0.00 H +ATOM 8167 H2 WAT 2366 47.181 41.138 65.536 1.00 0.00 H +TER +ATOM 8168 O WAT 2367 40.047 44.510 60.590 1.00 0.00 O +ATOM 8169 H1 WAT 2367 39.643 43.798 60.095 1.00 0.00 H +ATOM 8170 H2 WAT 2367 40.133 44.165 61.479 1.00 0.00 H +TER +ATOM 8171 O WAT 2368 40.515 48.197 62.754 1.00 0.00 O +ATOM 8172 H1 WAT 2368 40.218 47.591 62.075 1.00 0.00 H +ATOM 8173 H2 WAT 2368 41.465 48.234 62.643 1.00 0.00 H +TER +ATOM 8174 O WAT 2369 38.760 41.284 64.370 1.00 0.00 O +ATOM 8175 H1 WAT 2369 39.311 41.394 63.595 1.00 0.00 H +ATOM 8176 H2 WAT 2369 39.274 41.658 65.086 1.00 0.00 H +TER +ATOM 8177 O WAT 2370 46.648 44.784 55.319 1.00 0.00 O +ATOM 8178 H1 WAT 2370 47.087 43.946 55.173 1.00 0.00 H +ATOM 8179 H2 WAT 2370 47.360 45.417 55.405 1.00 0.00 H +TER +ATOM 8180 O WAT 2371 44.757 49.724 59.287 1.00 0.00 O +ATOM 8181 H1 WAT 2371 45.197 50.466 58.873 1.00 0.00 H +ATOM 8182 H2 WAT 2371 44.696 49.966 60.211 1.00 0.00 H +TER +ATOM 8183 O WAT 2372 50.229 36.038 53.633 1.00 0.00 O +ATOM 8184 H1 WAT 2372 49.917 36.131 54.533 1.00 0.00 H +ATOM 8185 H2 WAT 2372 50.991 36.617 53.583 1.00 0.00 H +TER +ATOM 8186 O WAT 2373 36.748 43.404 58.091 1.00 0.00 O +ATOM 8187 H1 WAT 2373 36.627 44.131 57.479 1.00 0.00 H +ATOM 8188 H2 WAT 2373 36.438 42.635 57.614 1.00 0.00 H +TER +ATOM 8189 O WAT 2374 34.386 46.576 63.898 1.00 0.00 O +ATOM 8190 H1 WAT 2374 34.464 46.711 62.953 1.00 0.00 H +ATOM 8191 H2 WAT 2374 35.000 45.868 64.091 1.00 0.00 H +TER +ATOM 8192 O WAT 2375 35.631 48.276 60.308 1.00 0.00 O +ATOM 8193 H1 WAT 2375 35.224 48.417 59.454 1.00 0.00 H +ATOM 8194 H2 WAT 2375 36.522 47.992 60.105 1.00 0.00 H +TER +ATOM 8195 O WAT 2376 47.424 52.711 56.643 1.00 0.00 O +ATOM 8196 H1 WAT 2376 47.264 52.421 57.542 1.00 0.00 H +ATOM 8197 H2 WAT 2376 47.259 51.935 56.108 1.00 0.00 H +TER +ATOM 8198 O WAT 2377 39.903 52.491 58.421 1.00 0.00 O +ATOM 8199 H1 WAT 2377 39.727 51.574 58.207 1.00 0.00 H +ATOM 8200 H2 WAT 2377 39.049 52.849 58.660 1.00 0.00 H +TER +ATOM 8201 O WAT 2378 47.127 50.219 55.203 1.00 0.00 O +ATOM 8202 H1 WAT 2378 46.433 50.217 54.543 1.00 0.00 H +ATOM 8203 H2 WAT 2378 47.869 49.795 54.773 1.00 0.00 H +TER +ATOM 8204 O WAT 2379 46.692 51.846 59.278 1.00 0.00 O +ATOM 8205 H1 WAT 2379 47.147 51.065 59.592 1.00 0.00 H +ATOM 8206 H2 WAT 2379 47.031 52.556 59.822 1.00 0.00 H +TER +ATOM 8207 O WAT 2380 39.214 36.748 61.473 1.00 0.00 O +ATOM 8208 H1 WAT 2380 38.771 37.529 61.142 1.00 0.00 H +ATOM 8209 H2 WAT 2380 39.772 37.071 62.180 1.00 0.00 H +TER +ATOM 8210 O WAT 2381 42.330 36.369 56.354 1.00 0.00 O +ATOM 8211 H1 WAT 2381 41.705 36.365 57.079 1.00 0.00 H +ATOM 8212 H2 WAT 2381 42.243 35.502 55.957 1.00 0.00 H +TER +ATOM 8213 O WAT 2382 41.251 37.293 63.332 1.00 0.00 O +ATOM 8214 H1 WAT 2382 41.549 38.199 63.251 1.00 0.00 H +ATOM 8215 H2 WAT 2382 41.800 36.805 62.718 1.00 0.00 H +TER +ATOM 8216 O WAT 2383 39.005 41.871 59.201 1.00 0.00 O +ATOM 8217 H1 WAT 2383 38.779 41.655 60.106 1.00 0.00 H +ATOM 8218 H2 WAT 2383 38.225 42.304 58.856 1.00 0.00 H +TER +ATOM 8219 O WAT 2384 46.235 41.878 57.800 1.00 0.00 O +ATOM 8220 H1 WAT 2384 45.636 42.601 57.617 1.00 0.00 H +ATOM 8221 H2 WAT 2384 46.783 41.815 57.018 1.00 0.00 H +TER +ATOM 8222 O WAT 2385 44.842 40.514 59.831 1.00 0.00 O +ATOM 8223 H1 WAT 2385 45.235 40.831 59.018 1.00 0.00 H +ATOM 8224 H2 WAT 2385 45.203 39.635 59.945 1.00 0.00 H +TER +ATOM 8225 O WAT 2386 33.878 37.104 62.054 1.00 0.00 O +ATOM 8226 H1 WAT 2386 33.589 37.674 62.766 1.00 0.00 H +ATOM 8227 H2 WAT 2386 34.623 36.625 62.417 1.00 0.00 H +TER +ATOM 8228 O WAT 2387 34.065 41.046 53.264 1.00 0.00 O +ATOM 8229 H1 WAT 2387 33.982 41.989 53.406 1.00 0.00 H +ATOM 8230 H2 WAT 2387 33.713 40.904 52.385 1.00 0.00 H +TER +ATOM 8231 O WAT 2388 45.427 43.105 63.926 1.00 0.00 O +ATOM 8232 H1 WAT 2388 44.695 43.613 64.275 1.00 0.00 H +ATOM 8233 H2 WAT 2388 45.030 42.288 63.625 1.00 0.00 H +TER +ATOM 8234 O WAT 2389 41.865 39.780 62.331 1.00 0.00 O +ATOM 8235 H1 WAT 2389 41.868 39.339 61.482 1.00 0.00 H +ATOM 8236 H2 WAT 2389 42.760 40.102 62.438 1.00 0.00 H +TER +ATOM 8237 O WAT 2390 37.715 39.663 61.290 1.00 0.00 O +ATOM 8238 H1 WAT 2390 37.375 40.140 62.047 1.00 0.00 H +ATOM 8239 H2 WAT 2390 36.953 39.209 60.931 1.00 0.00 H +TER +ATOM 8240 O WAT 2391 41.927 40.781 55.322 1.00 0.00 O +ATOM 8241 H1 WAT 2391 42.048 40.740 56.270 1.00 0.00 H +ATOM 8242 H2 WAT 2391 41.542 41.644 55.166 1.00 0.00 H +TER +ATOM 8243 O WAT 2392 45.890 38.558 63.338 1.00 0.00 O +ATOM 8244 H1 WAT 2392 45.907 39.009 64.182 1.00 0.00 H +ATOM 8245 H2 WAT 2392 45.641 37.658 63.551 1.00 0.00 H +TER +ATOM 8246 O WAT 2393 40.939 43.091 54.720 1.00 0.00 O +ATOM 8247 H1 WAT 2393 40.371 42.643 54.094 1.00 0.00 H +ATOM 8248 H2 WAT 2393 41.648 43.451 54.187 1.00 0.00 H +TER +ATOM 8249 O WAT 2394 42.166 43.840 64.078 1.00 0.00 O +ATOM 8250 H1 WAT 2394 42.533 43.366 64.824 1.00 0.00 H +ATOM 8251 H2 WAT 2394 41.976 44.714 64.418 1.00 0.00 H +TER +ATOM 8252 O WAT 2395 35.030 38.585 60.207 1.00 0.00 O +ATOM 8253 H1 WAT 2395 34.744 38.220 61.045 1.00 0.00 H +ATOM 8254 H2 WAT 2395 34.968 37.853 59.593 1.00 0.00 H +TER +ATOM 8255 O WAT 2396 38.484 47.087 56.993 1.00 0.00 O +ATOM 8256 H1 WAT 2396 37.710 46.547 56.833 1.00 0.00 H +ATOM 8257 H2 WAT 2396 39.213 46.568 56.654 1.00 0.00 H +TER +ATOM 8258 O WAT 2397 49.243 46.084 62.785 1.00 0.00 O +ATOM 8259 H1 WAT 2397 49.962 46.579 62.395 1.00 0.00 H +ATOM 8260 H2 WAT 2397 49.041 45.405 62.141 1.00 0.00 H +TER +ATOM 8261 O WAT 2398 44.704 37.477 56.928 1.00 0.00 O +ATOM 8262 H1 WAT 2398 43.890 36.979 56.853 1.00 0.00 H +ATOM 8263 H2 WAT 2398 44.510 38.317 56.512 1.00 0.00 H +TER +ATOM 8264 O WAT 2399 47.418 41.849 55.225 1.00 0.00 O +ATOM 8265 H1 WAT 2399 48.306 42.161 55.050 1.00 0.00 H +ATOM 8266 H2 WAT 2399 47.389 40.977 54.833 1.00 0.00 H +TER +ATOM 8267 O WAT 2400 38.527 46.755 60.631 1.00 0.00 O +ATOM 8268 H1 WAT 2400 39.045 45.952 60.576 1.00 0.00 H +ATOM 8269 H2 WAT 2400 38.076 46.693 61.472 1.00 0.00 H +TER +ATOM 8270 O WAT 2401 43.414 48.022 55.903 1.00 0.00 O +ATOM 8271 H1 WAT 2401 43.756 48.766 55.408 1.00 0.00 H +ATOM 8272 H2 WAT 2401 42.586 48.335 56.266 1.00 0.00 H +TER +ATOM 8273 O WAT 2402 49.690 43.161 54.692 1.00 0.00 O +ATOM 8274 H1 WAT 2402 49.606 43.592 53.842 1.00 0.00 H +ATOM 8275 H2 WAT 2402 50.409 43.620 55.125 1.00 0.00 H +TER +ATOM 8276 O WAT 2403 50.719 50.015 57.421 1.00 0.00 O +ATOM 8277 H1 WAT 2403 50.076 49.360 57.695 1.00 0.00 H +ATOM 8278 H2 WAT 2403 50.332 50.420 56.645 1.00 0.00 H +TER +ATOM 8279 O WAT 2404 46.297 47.343 61.268 1.00 0.00 O +ATOM 8280 H1 WAT 2404 46.650 46.746 60.608 1.00 0.00 H +ATOM 8281 H2 WAT 2404 45.413 47.018 61.439 1.00 0.00 H +TER +ATOM 8282 O WAT 2405 42.383 48.103 58.675 1.00 0.00 O +ATOM 8283 H1 WAT 2405 43.071 48.650 59.056 1.00 0.00 H +ATOM 8284 H2 WAT 2405 41.597 48.647 58.710 1.00 0.00 H +TER +ATOM 8285 O WAT 2406 34.523 43.720 54.167 1.00 0.00 O +ATOM 8286 H1 WAT 2406 35.392 44.003 54.450 1.00 0.00 H +ATOM 8287 H2 WAT 2406 34.032 44.534 54.052 1.00 0.00 H +TER +ATOM 8288 O WAT 2407 41.686 45.108 58.287 1.00 0.00 O +ATOM 8289 H1 WAT 2407 42.142 45.918 58.513 1.00 0.00 H +ATOM 8290 H2 WAT 2407 41.335 44.790 59.119 1.00 0.00 H +TER +ATOM 8291 O WAT 2408 37.587 35.452 58.760 1.00 0.00 O +ATOM 8292 H1 WAT 2408 37.459 35.443 59.708 1.00 0.00 H +ATOM 8293 H2 WAT 2408 36.764 35.790 58.409 1.00 0.00 H +TER +ATOM 8294 O WAT 2409 45.263 48.622 64.234 1.00 0.00 O +ATOM 8295 H1 WAT 2409 45.905 47.921 64.348 1.00 0.00 H +ATOM 8296 H2 WAT 2409 45.788 49.401 64.054 1.00 0.00 H +TER +ATOM 8297 O WAT 2410 49.108 48.906 53.958 1.00 0.00 O +ATOM 8298 H1 WAT 2410 48.882 48.190 54.551 1.00 0.00 H +ATOM 8299 H2 WAT 2410 48.718 48.658 53.121 1.00 0.00 H +TER +ATOM 8300 O WAT 2411 34.890 52.933 54.733 1.00 0.00 O +ATOM 8301 H1 WAT 2411 35.250 53.532 54.079 1.00 0.00 H +ATOM 8302 H2 WAT 2411 34.749 53.479 55.506 1.00 0.00 H +TER +ATOM 8303 O WAT 2412 48.690 46.824 55.620 1.00 0.00 O +ATOM 8304 H1 WAT 2412 48.402 47.285 56.408 1.00 0.00 H +ATOM 8305 H2 WAT 2412 49.485 46.363 55.888 1.00 0.00 H +TER +ATOM 8306 O WAT 2413 40.907 50.316 55.550 1.00 0.00 O +ATOM 8307 H1 WAT 2413 40.898 51.049 54.935 1.00 0.00 H +ATOM 8308 H2 WAT 2413 39.987 50.069 55.643 1.00 0.00 H +TER +ATOM 8309 O WAT 2414 36.507 45.538 56.295 1.00 0.00 O +ATOM 8310 H1 WAT 2414 35.900 46.278 56.304 1.00 0.00 H +ATOM 8311 H2 WAT 2414 36.982 45.628 55.469 1.00 0.00 H +TER +ATOM 8312 O WAT 2415 49.447 38.659 56.779 1.00 0.00 O +ATOM 8313 H1 WAT 2415 48.818 38.763 56.065 1.00 0.00 H +ATOM 8314 H2 WAT 2415 48.952 38.878 57.569 1.00 0.00 H +TER +ATOM 8315 O WAT 2416 43.893 50.379 54.213 1.00 0.00 O +ATOM 8316 H1 WAT 2416 43.994 50.176 53.283 1.00 0.00 H +ATOM 8317 H2 WAT 2416 42.993 50.125 54.417 1.00 0.00 H +TER +ATOM 8318 O WAT 2417 41.415 40.937 58.195 1.00 0.00 O +ATOM 8319 H1 WAT 2417 40.707 41.406 58.636 1.00 0.00 H +ATOM 8320 H2 WAT 2417 41.700 40.279 58.830 1.00 0.00 H +TER +ATOM 8321 O WAT 2418 45.447 37.662 59.635 1.00 0.00 O +ATOM 8322 H1 WAT 2418 45.324 37.681 58.686 1.00 0.00 H +ATOM 8323 H2 WAT 2418 46.395 37.710 59.754 1.00 0.00 H +TER +ATOM 8324 O WAT 2419 42.534 52.898 58.907 1.00 0.00 O +ATOM 8325 H1 WAT 2419 42.789 52.860 57.985 1.00 0.00 H +ATOM 8326 H2 WAT 2419 41.586 52.771 58.900 1.00 0.00 H +TER +ATOM 8327 O WAT 2420 39.619 39.246 55.570 1.00 0.00 O +ATOM 8328 H1 WAT 2420 40.468 39.683 55.504 1.00 0.00 H +ATOM 8329 H2 WAT 2420 39.252 39.558 56.397 1.00 0.00 H +TER +ATOM 8330 O WAT 2421 48.540 43.817 60.483 1.00 0.00 O +ATOM 8331 H1 WAT 2421 47.599 43.832 60.658 1.00 0.00 H +ATOM 8332 H2 WAT 2421 48.854 43.031 60.929 1.00 0.00 H +TER +ATOM 8333 O WAT 2422 38.518 45.499 54.044 1.00 0.00 O +ATOM 8334 H1 WAT 2422 39.284 45.387 54.606 1.00 0.00 H +ATOM 8335 H2 WAT 2422 38.595 44.803 53.391 1.00 0.00 H +TER +ATOM 8336 O WAT 2423 37.213 42.931 54.727 1.00 0.00 O +ATOM 8337 H1 WAT 2423 37.293 41.984 54.839 1.00 0.00 H +ATOM 8338 H2 WAT 2423 38.105 43.262 54.833 1.00 0.00 H +TER +ATOM 8339 O WAT 2424 50.542 50.988 62.159 1.00 0.00 O +ATOM 8340 H1 WAT 2424 50.667 51.811 62.631 1.00 0.00 H +ATOM 8341 H2 WAT 2424 51.409 50.777 61.811 1.00 0.00 H +TER +ATOM 8342 O WAT 2425 38.014 53.081 61.830 1.00 0.00 O +ATOM 8343 H1 WAT 2425 38.750 52.532 62.101 1.00 0.00 H +ATOM 8344 H2 WAT 2425 38.398 53.947 61.691 1.00 0.00 H +TER +ATOM 8345 O WAT 2426 34.899 49.148 57.705 1.00 0.00 O +ATOM 8346 H1 WAT 2426 33.973 49.390 57.695 1.00 0.00 H +ATOM 8347 H2 WAT 2426 35.364 49.976 57.583 1.00 0.00 H +TER +ATOM 8348 O WAT 2427 41.124 52.254 53.653 1.00 0.00 O +ATOM 8349 H1 WAT 2427 41.917 52.543 53.201 1.00 0.00 H +ATOM 8350 H2 WAT 2427 40.605 51.823 52.974 1.00 0.00 H +TER +ATOM 8351 O WAT 2428 50.177 51.481 55.077 1.00 0.00 O +ATOM 8352 H1 WAT 2428 49.891 51.067 54.262 1.00 0.00 H +ATOM 8353 H2 WAT 2428 49.979 52.410 54.957 1.00 0.00 H +TER +ATOM 8354 O WAT 2429 41.642 47.474 53.517 1.00 0.00 O +ATOM 8355 H1 WAT 2429 41.537 46.860 54.243 1.00 0.00 H +ATOM 8356 H2 WAT 2429 41.474 46.951 52.734 1.00 0.00 H +TER +ATOM 8357 O WAT 2430 44.882 46.536 54.121 1.00 0.00 O +ATOM 8358 H1 WAT 2430 44.333 46.983 54.766 1.00 0.00 H +ATOM 8359 H2 WAT 2430 45.504 46.031 54.645 1.00 0.00 H +TER +ATOM 8360 O WAT 2431 40.550 45.495 56.018 1.00 0.00 O +ATOM 8361 H1 WAT 2431 40.971 45.329 56.861 1.00 0.00 H +ATOM 8362 H2 WAT 2431 40.675 44.685 55.523 1.00 0.00 H +TER +ATOM 8363 O WAT 2432 43.063 44.519 53.266 1.00 0.00 O +ATOM 8364 H1 WAT 2432 43.583 43.804 52.900 1.00 0.00 H +ATOM 8365 H2 WAT 2432 43.709 45.158 53.566 1.00 0.00 H +TER +ATOM 8366 O WAT 2433 39.446 41.569 52.964 1.00 0.00 O +ATOM 8367 H1 WAT 2433 39.245 40.705 53.325 1.00 0.00 H +ATOM 8368 H2 WAT 2433 39.275 41.482 52.026 1.00 0.00 H +TER +ATOM 8369 O WAT 2434 46.925 36.380 55.492 1.00 0.00 O +ATOM 8370 H1 WAT 2434 47.205 35.536 55.848 1.00 0.00 H +ATOM 8371 H2 WAT 2434 46.151 36.612 56.006 1.00 0.00 H +TER +ATOM 8372 O WAT 2435 38.244 38.669 52.952 1.00 0.00 O +ATOM 8373 H1 WAT 2435 38.547 38.676 52.043 1.00 0.00 H +ATOM 8374 H2 WAT 2435 38.983 38.319 53.448 1.00 0.00 H +TER +ATOM 8375 O WAT 2436 43.627 52.600 55.556 1.00 0.00 O +ATOM 8376 H1 WAT 2436 44.522 52.939 55.578 1.00 0.00 H +ATOM 8377 H2 WAT 2436 43.659 51.878 54.928 1.00 0.00 H +TER +ATOM 8378 O WAT 2437 37.267 47.973 53.785 1.00 0.00 O +ATOM 8379 H1 WAT 2437 37.704 48.516 54.440 1.00 0.00 H +ATOM 8380 H2 WAT 2437 37.752 47.148 53.794 1.00 0.00 H +TER +ATOM 8381 O WAT 2438 34.482 50.762 61.237 1.00 0.00 O +ATOM 8382 H1 WAT 2438 34.812 49.894 61.004 1.00 0.00 H +ATOM 8383 H2 WAT 2438 34.911 50.968 62.067 1.00 0.00 H +TER +ATOM 8384 O WAT 2439 39.078 49.093 58.897 1.00 0.00 O +ATOM 8385 H1 WAT 2439 38.777 48.969 59.797 1.00 0.00 H +ATOM 8386 H2 WAT 2439 38.972 48.234 58.488 1.00 0.00 H +TER +ATOM 8387 O WAT 2440 34.971 51.629 63.975 1.00 0.00 O +ATOM 8388 H1 WAT 2440 34.534 51.809 64.807 1.00 0.00 H +ATOM 8389 H2 WAT 2440 35.538 52.386 63.833 1.00 0.00 H +TER +ATOM 8390 O WAT 2441 51.847 48.872 53.599 1.00 0.00 O +ATOM 8391 H1 WAT 2441 51.016 48.940 54.070 1.00 0.00 H +ATOM 8392 H2 WAT 2441 52.024 49.763 53.296 1.00 0.00 H +TER +ATOM 8393 O WAT 2442 51.303 45.617 56.103 1.00 0.00 O +ATOM 8394 H1 WAT 2442 52.065 46.187 56.209 1.00 0.00 H +ATOM 8395 H2 WAT 2442 51.318 45.050 56.874 1.00 0.00 H +TER +ATOM 8396 O WAT 2443 34.803 44.141 60.334 1.00 0.00 O +ATOM 8397 H1 WAT 2443 34.148 43.872 59.690 1.00 0.00 H +ATOM 8398 H2 WAT 2443 35.641 44.031 59.884 1.00 0.00 H +TER +ATOM 8399 O WAT 2444 52.309 46.472 60.947 1.00 0.00 O +ATOM 8400 H1 WAT 2444 52.679 45.689 60.541 1.00 0.00 H +ATOM 8401 H2 WAT 2444 52.949 47.161 60.769 1.00 0.00 H +TER +ATOM 8402 O WAT 2445 51.355 45.911 53.260 1.00 0.00 O +ATOM 8403 H1 WAT 2445 51.629 46.819 53.132 1.00 0.00 H +ATOM 8404 H2 WAT 2445 51.166 45.847 54.196 1.00 0.00 H +TER +ATOM 8405 O WAT 2446 47.752 38.935 54.555 1.00 0.00 O +ATOM 8406 H1 WAT 2446 48.171 38.748 53.715 1.00 0.00 H +ATOM 8407 H2 WAT 2446 47.446 38.083 54.866 1.00 0.00 H +TER +ATOM 8408 O WAT 2447 51.251 43.848 58.253 1.00 0.00 O +ATOM 8409 H1 WAT 2447 50.875 43.080 57.821 1.00 0.00 H +ATOM 8410 H2 WAT 2447 50.521 44.230 58.741 1.00 0.00 H +TER +ATOM 8411 O WAT 2448 35.841 44.526 64.874 1.00 0.00 O +ATOM 8412 H1 WAT 2448 36.208 44.439 65.754 1.00 0.00 H +ATOM 8413 H2 WAT 2448 35.272 43.763 64.775 1.00 0.00 H +TER +ATOM 8414 O WAT 2449 34.017 41.351 56.276 1.00 0.00 O +ATOM 8415 H1 WAT 2449 33.113 41.614 56.101 1.00 0.00 H +ATOM 8416 H2 WAT 2449 34.501 41.622 55.496 1.00 0.00 H +TER +ATOM 8417 O WAT 2450 50.526 42.073 61.554 1.00 0.00 O +ATOM 8418 H1 WAT 2450 51.050 41.580 60.923 1.00 0.00 H +ATOM 8419 H2 WAT 2450 51.112 42.208 62.299 1.00 0.00 H +TER +ATOM 8420 O WAT 2451 50.705 42.157 65.076 1.00 0.00 O +ATOM 8421 H1 WAT 2451 49.755 42.124 65.190 1.00 0.00 H +ATOM 8422 H2 WAT 2451 50.886 43.067 64.841 1.00 0.00 H +TER +ATOM 8423 O WAT 2452 36.560 40.407 54.186 1.00 0.00 O +ATOM 8424 H1 WAT 2452 37.269 39.986 53.700 1.00 0.00 H +ATOM 8425 H2 WAT 2452 35.844 40.475 53.554 1.00 0.00 H +TER +ATOM 8426 O WAT 2453 36.207 36.461 53.226 1.00 0.00 O +ATOM 8427 H1 WAT 2453 36.930 37.002 53.544 1.00 0.00 H +ATOM 8428 H2 WAT 2453 36.479 36.188 52.350 1.00 0.00 H +TER +ATOM 8429 O WAT 2454 50.016 41.331 57.493 1.00 0.00 O +ATOM 8430 H1 WAT 2454 50.512 41.098 58.278 1.00 0.00 H +ATOM 8431 H2 WAT 2454 49.818 40.492 57.077 1.00 0.00 H +TER +ATOM 8432 O WAT 2455 35.896 35.712 63.128 1.00 0.00 O +ATOM 8433 H1 WAT 2455 36.544 35.162 62.688 1.00 0.00 H +ATOM 8434 H2 WAT 2455 36.316 35.966 63.950 1.00 0.00 H +TER +ATOM 8435 O WAT 2456 51.445 39.967 60.027 1.00 0.00 O +ATOM 8436 H1 WAT 2456 51.335 39.812 60.965 1.00 0.00 H +ATOM 8437 H2 WAT 2456 52.206 39.439 59.784 1.00 0.00 H +TER +ATOM 8438 O WAT 2457 52.334 37.798 53.267 1.00 0.00 O +ATOM 8439 H1 WAT 2457 53.259 37.666 53.059 1.00 0.00 H +ATOM 8440 H2 WAT 2457 52.311 37.877 54.221 1.00 0.00 H +TER +ATOM 8441 O WAT 2458 52.408 38.569 55.893 1.00 0.00 O +ATOM 8442 H1 WAT 2458 51.613 38.503 56.422 1.00 0.00 H +ATOM 8443 H2 WAT 2458 52.612 39.504 55.882 1.00 0.00 H +TER +ATOM 8444 O WAT 2459 49.350 52.608 59.887 1.00 0.00 O +ATOM 8445 H1 WAT 2459 49.945 52.286 59.210 1.00 0.00 H +ATOM 8446 H2 WAT 2459 49.607 52.135 60.678 1.00 0.00 H +TER +ATOM 8447 O WAT 2460 40.956 50.595 65.637 1.00 0.00 O +ATOM 8448 H1 WAT 2460 40.716 50.863 64.750 1.00 0.00 H +ATOM 8449 H2 WAT 2460 41.897 50.766 65.692 1.00 0.00 H +TER +ATOM 8450 O WAT 2461 49.901 53.257 63.717 1.00 0.00 O +ATOM 8451 H1 WAT 2461 49.441 54.009 63.342 1.00 0.00 H +ATOM 8452 H2 WAT 2461 49.272 52.538 63.658 1.00 0.00 H +TER +ATOM 8453 O WAT 2462 40.330 51.566 62.891 1.00 0.00 O +ATOM 8454 H1 WAT 2462 40.847 50.955 62.366 1.00 0.00 H +ATOM 8455 H2 WAT 2462 40.980 52.069 63.383 1.00 0.00 H +TER +ATOM 8456 O WAT 2463 43.070 52.457 63.718 1.00 0.00 O +ATOM 8457 H1 WAT 2463 43.358 52.202 62.842 1.00 0.00 H +ATOM 8458 H2 WAT 2463 43.582 51.905 64.309 1.00 0.00 H +TER +ATOM 8459 O WAT 2464 44.288 36.196 64.298 1.00 0.00 O +ATOM 8460 H1 WAT 2464 43.505 36.671 64.578 1.00 0.00 H +ATOM 8461 H2 WAT 2464 43.994 35.291 64.189 1.00 0.00 H +TER +ATOM 8462 O WAT 2465 48.840 36.898 62.343 1.00 0.00 O +ATOM 8463 H1 WAT 2465 49.281 36.843 61.495 1.00 0.00 H +ATOM 8464 H2 WAT 2465 48.571 37.814 62.414 1.00 0.00 H +TER +ATOM 8465 O WAT 2466 50.704 36.530 60.354 1.00 0.00 O +ATOM 8466 H1 WAT 2466 50.642 35.586 60.207 1.00 0.00 H +ATOM 8467 H2 WAT 2466 51.483 36.638 60.899 1.00 0.00 H +TER +ATOM 8468 O WAT 2467 35.009 52.669 59.316 1.00 0.00 O +ATOM 8469 H1 WAT 2467 34.841 52.036 60.014 1.00 0.00 H +ATOM 8470 H2 WAT 2467 34.142 52.875 58.966 1.00 0.00 H +TER +ATOM 8471 O WAT 2468 35.632 36.501 56.819 1.00 0.00 O +ATOM 8472 H1 WAT 2468 36.390 36.614 56.246 1.00 0.00 H +ATOM 8473 H2 WAT 2468 35.169 37.338 56.774 1.00 0.00 H +TER +ATOM 8474 O WAT 2469 42.173 38.615 59.810 1.00 0.00 O +ATOM 8475 H1 WAT 2469 41.361 38.240 59.469 1.00 0.00 H +ATOM 8476 H2 WAT 2469 42.677 37.859 60.112 1.00 0.00 H +TER +ATOM 8477 O WAT 2470 46.676 35.279 61.048 1.00 0.00 O +ATOM 8478 H1 WAT 2470 47.278 35.851 61.523 1.00 0.00 H +ATOM 8479 H2 WAT 2470 45.935 35.843 60.825 1.00 0.00 H +TER +ATOM 8480 O WAT 2471 49.819 35.681 56.322 1.00 0.00 O +ATOM 8481 H1 WAT 2471 50.014 36.579 56.589 1.00 0.00 H +ATOM 8482 H2 WAT 2471 49.032 35.450 56.815 1.00 0.00 H +TER +ATOM 8483 O WAT 2472 36.615 51.362 56.761 1.00 0.00 O +ATOM 8484 H1 WAT 2472 36.090 51.743 56.057 1.00 0.00 H +ATOM 8485 H2 WAT 2472 36.540 51.987 57.482 1.00 0.00 H +TER +ATOM 8486 O WAT 2473 38.004 37.027 55.360 1.00 0.00 O +ATOM 8487 H1 WAT 2473 38.533 36.240 55.230 1.00 0.00 H +ATOM 8488 H2 WAT 2473 38.637 37.706 55.593 1.00 0.00 H +TER +ATOM 8489 O WAT 2474 40.198 36.765 58.414 1.00 0.00 O +ATOM 8490 H1 WAT 2474 39.568 36.063 58.581 1.00 0.00 H +ATOM 8491 H2 WAT 2474 39.658 37.525 58.197 1.00 0.00 H +TER +ATOM 8492 O WAT 2475 51.372 52.921 58.083 1.00 0.00 O +ATOM 8493 H1 WAT 2475 51.547 52.235 57.439 1.00 0.00 H +ATOM 8494 H2 WAT 2475 50.674 53.446 57.690 1.00 0.00 H +TER +ATOM 8495 O WAT 2476 39.214 53.311 55.636 1.00 0.00 O +ATOM 8496 H1 WAT 2476 39.946 53.027 55.089 1.00 0.00 H +ATOM 8497 H2 WAT 2476 39.474 53.072 56.526 1.00 0.00 H +TER +ATOM 8498 O WAT 2477 38.376 49.427 55.641 1.00 0.00 O +ATOM 8499 H1 WAT 2477 37.747 49.896 56.189 1.00 0.00 H +ATOM 8500 H2 WAT 2477 38.491 48.582 56.075 1.00 0.00 H +TER +ATOM 8501 O WAT 2478 45.831 43.478 41.791 1.00 0.00 O +ATOM 8502 H1 WAT 2478 45.750 42.563 41.520 1.00 0.00 H +ATOM 8503 H2 WAT 2478 45.417 43.974 41.085 1.00 0.00 H +TER +ATOM 8504 O WAT 2479 43.963 45.256 43.672 1.00 0.00 O +ATOM 8505 H1 WAT 2479 43.187 44.776 43.962 1.00 0.00 H +ATOM 8506 H2 WAT 2479 44.614 44.576 43.497 1.00 0.00 H +TER +ATOM 8507 O WAT 2480 37.979 45.568 44.549 1.00 0.00 O +ATOM 8508 H1 WAT 2480 37.148 45.312 44.949 1.00 0.00 H +ATOM 8509 H2 WAT 2480 38.587 45.639 45.285 1.00 0.00 H +TER +ATOM 8510 O WAT 2481 47.983 49.662 42.452 1.00 0.00 O +ATOM 8511 H1 WAT 2481 47.522 48.890 42.780 1.00 0.00 H +ATOM 8512 H2 WAT 2481 48.796 49.688 42.957 1.00 0.00 H +TER +ATOM 8513 O WAT 2482 37.959 49.602 44.745 1.00 0.00 O +ATOM 8514 H1 WAT 2482 38.262 48.711 44.566 1.00 0.00 H +ATOM 8515 H2 WAT 2482 38.704 50.159 44.517 1.00 0.00 H +TER +ATOM 8516 O WAT 2483 44.210 51.947 42.072 1.00 0.00 O +ATOM 8517 H1 WAT 2483 43.591 52.403 41.502 1.00 0.00 H +ATOM 8518 H2 WAT 2483 45.065 52.103 41.671 1.00 0.00 H +TER +ATOM 8519 O WAT 2484 43.404 47.931 43.679 1.00 0.00 O +ATOM 8520 H1 WAT 2484 43.334 46.990 43.518 1.00 0.00 H +ATOM 8521 H2 WAT 2484 44.166 48.021 44.251 1.00 0.00 H +TER +ATOM 8522 O WAT 2485 35.594 38.537 46.005 1.00 0.00 O +ATOM 8523 H1 WAT 2485 35.415 37.639 46.285 1.00 0.00 H +ATOM 8524 H2 WAT 2485 35.192 39.084 46.679 1.00 0.00 H +TER +ATOM 8525 O WAT 2486 48.217 38.233 40.839 1.00 0.00 O +ATOM 8526 H1 WAT 2486 49.037 37.743 40.881 1.00 0.00 H +ATOM 8527 H2 WAT 2486 48.250 38.823 41.592 1.00 0.00 H +TER +ATOM 8528 O WAT 2487 52.506 40.250 47.403 1.00 0.00 O +ATOM 8529 H1 WAT 2487 51.802 40.638 46.884 1.00 0.00 H +ATOM 8530 H2 WAT 2487 52.772 40.945 48.005 1.00 0.00 H +TER +ATOM 8531 O WAT 2488 45.076 46.831 39.465 1.00 0.00 O +ATOM 8532 H1 WAT 2488 44.458 47.296 38.902 1.00 0.00 H +ATOM 8533 H2 WAT 2488 45.588 47.524 39.882 1.00 0.00 H +TER +ATOM 8534 O WAT 2489 39.939 46.359 46.144 1.00 0.00 O +ATOM 8535 H1 WAT 2489 39.606 46.986 46.786 1.00 0.00 H +ATOM 8536 H2 WAT 2489 40.116 46.885 45.364 1.00 0.00 H +TER +ATOM 8537 O WAT 2490 48.453 40.173 43.611 1.00 0.00 O +ATOM 8538 H1 WAT 2490 47.748 40.462 44.192 1.00 0.00 H +ATOM 8539 H2 WAT 2490 48.814 40.983 43.251 1.00 0.00 H +TER +ATOM 8540 O WAT 2491 39.151 48.327 47.959 1.00 0.00 O +ATOM 8541 H1 WAT 2491 39.769 49.002 47.677 1.00 0.00 H +ATOM 8542 H2 WAT 2491 38.291 48.736 47.867 1.00 0.00 H +TER +ATOM 8543 O WAT 2492 50.069 49.791 45.874 1.00 0.00 O +ATOM 8544 H1 WAT 2492 49.385 50.461 45.866 1.00 0.00 H +ATOM 8545 H2 WAT 2492 50.608 49.989 45.109 1.00 0.00 H +TER +ATOM 8546 O WAT 2493 51.521 39.619 44.002 1.00 0.00 O +ATOM 8547 H1 WAT 2493 50.574 39.653 44.134 1.00 0.00 H +ATOM 8548 H2 WAT 2493 51.846 40.433 44.387 1.00 0.00 H +TER +ATOM 8549 O WAT 2494 47.605 51.635 44.589 1.00 0.00 O +ATOM 8550 H1 WAT 2494 47.618 51.232 43.721 1.00 0.00 H +ATOM 8551 H2 WAT 2494 47.052 52.410 44.485 1.00 0.00 H +TER +ATOM 8552 O WAT 2495 48.899 48.357 39.678 1.00 0.00 O +ATOM 8553 H1 WAT 2495 48.789 47.414 39.803 1.00 0.00 H +ATOM 8554 H2 WAT 2495 48.896 48.718 40.564 1.00 0.00 H +TER +ATOM 8555 O WAT 2496 47.003 46.538 45.917 1.00 0.00 O +ATOM 8556 H1 WAT 2496 47.420 46.324 45.082 1.00 0.00 H +ATOM 8557 H2 WAT 2496 47.727 46.796 46.488 1.00 0.00 H +TER +ATOM 8558 O WAT 2497 44.441 43.983 39.034 1.00 0.00 O +ATOM 8559 H1 WAT 2497 43.514 43.917 39.263 1.00 0.00 H +ATOM 8560 H2 WAT 2497 44.594 44.921 38.919 1.00 0.00 H +TER +ATOM 8561 O WAT 2498 50.950 44.937 46.008 1.00 0.00 O +ATOM 8562 H1 WAT 2498 50.121 45.006 45.534 1.00 0.00 H +ATOM 8563 H2 WAT 2498 51.545 45.522 45.540 1.00 0.00 H +TER +ATOM 8564 O WAT 2499 48.471 45.545 39.537 1.00 0.00 O +ATOM 8565 H1 WAT 2499 47.852 45.207 38.890 1.00 0.00 H +ATOM 8566 H2 WAT 2499 48.454 44.901 40.245 1.00 0.00 H +TER +ATOM 8567 O WAT 2500 47.914 41.724 46.954 1.00 0.00 O +ATOM 8568 H1 WAT 2500 47.501 42.549 47.208 1.00 0.00 H +ATOM 8569 H2 WAT 2500 47.181 41.138 46.762 1.00 0.00 H +TER +ATOM 8570 O WAT 2501 40.047 44.510 41.816 1.00 0.00 O +ATOM 8571 H1 WAT 2501 39.643 43.798 41.320 1.00 0.00 H +ATOM 8572 H2 WAT 2501 40.133 44.165 42.705 1.00 0.00 H +TER +ATOM 8573 O WAT 2502 40.515 48.197 43.980 1.00 0.00 O +ATOM 8574 H1 WAT 2502 40.218 47.591 43.301 1.00 0.00 H +ATOM 8575 H2 WAT 2502 41.465 48.234 43.869 1.00 0.00 H +TER +ATOM 8576 O WAT 2503 38.760 41.284 45.596 1.00 0.00 O +ATOM 8577 H1 WAT 2503 39.311 41.394 44.821 1.00 0.00 H +ATOM 8578 H2 WAT 2503 39.274 41.658 46.311 1.00 0.00 H +TER +ATOM 8579 O WAT 2504 48.604 51.770 47.642 1.00 0.00 O +ATOM 8580 H1 WAT 2504 48.127 52.577 47.449 1.00 0.00 H +ATOM 8581 H2 WAT 2504 47.920 51.118 47.795 1.00 0.00 H +TER +ATOM 8582 O WAT 2505 39.607 47.935 50.631 1.00 0.00 O +ATOM 8583 H1 WAT 2505 38.710 48.159 50.878 1.00 0.00 H +ATOM 8584 H2 WAT 2505 39.632 48.058 49.682 1.00 0.00 H +TER +ATOM 8585 O WAT 2506 38.434 44.806 49.206 1.00 0.00 O +ATOM 8586 H1 WAT 2506 38.295 45.678 49.575 1.00 0.00 H +ATOM 8587 H2 WAT 2506 37.552 44.463 49.061 1.00 0.00 H +TER +ATOM 8588 O WAT 2507 44.757 49.724 40.513 1.00 0.00 O +ATOM 8589 H1 WAT 2507 45.197 50.466 40.098 1.00 0.00 H +ATOM 8590 H2 WAT 2507 44.696 49.966 41.437 1.00 0.00 H +TER +ATOM 8591 O WAT 2508 40.232 50.748 51.415 1.00 0.00 O +ATOM 8592 H1 WAT 2508 40.204 51.153 50.548 1.00 0.00 H +ATOM 8593 H2 WAT 2508 40.069 49.819 51.252 1.00 0.00 H +TER +ATOM 8594 O WAT 2509 50.229 36.038 34.859 1.00 0.00 O +ATOM 8595 H1 WAT 2509 49.917 36.131 35.759 1.00 0.00 H +ATOM 8596 H2 WAT 2509 50.991 36.617 34.809 1.00 0.00 H +TER +ATOM 8597 O WAT 2510 52.184 51.531 52.711 1.00 0.00 O +ATOM 8598 H1 WAT 2510 52.660 52.009 53.390 1.00 0.00 H +ATOM 8599 H2 WAT 2510 52.804 51.463 51.986 1.00 0.00 H +TER +ATOM 8600 O WAT 2511 35.631 48.276 41.534 1.00 0.00 O +ATOM 8601 H1 WAT 2511 35.224 48.417 40.679 1.00 0.00 H +ATOM 8602 H2 WAT 2511 36.522 47.992 41.331 1.00 0.00 H +TER +ATOM 8603 O WAT 2512 51.587 48.722 49.871 1.00 0.00 O +ATOM 8604 H1 WAT 2512 51.713 48.484 48.953 1.00 0.00 H +ATOM 8605 H2 WAT 2512 51.629 47.891 50.343 1.00 0.00 H +TER +ATOM 8606 O WAT 2513 45.449 52.425 48.441 1.00 0.00 O +ATOM 8607 H1 WAT 2513 45.963 52.336 49.243 1.00 0.00 H +ATOM 8608 H2 WAT 2513 44.606 52.771 48.733 1.00 0.00 H +TER +ATOM 8609 O WAT 2514 47.424 52.711 37.869 1.00 0.00 O +ATOM 8610 H1 WAT 2514 47.264 52.421 38.767 1.00 0.00 H +ATOM 8611 H2 WAT 2514 47.259 51.935 37.334 1.00 0.00 H +TER +ATOM 8612 O WAT 2515 39.903 52.491 39.646 1.00 0.00 O +ATOM 8613 H1 WAT 2515 39.727 51.574 39.433 1.00 0.00 H +ATOM 8614 H2 WAT 2515 39.049 52.849 39.886 1.00 0.00 H +TER +ATOM 8615 O WAT 2516 47.127 50.219 36.429 1.00 0.00 O +ATOM 8616 H1 WAT 2516 46.433 50.217 35.769 1.00 0.00 H +ATOM 8617 H2 WAT 2516 47.869 49.795 35.998 1.00 0.00 H +TER +ATOM 8618 O WAT 2517 46.692 51.846 40.504 1.00 0.00 O +ATOM 8619 H1 WAT 2517 47.147 51.065 40.818 1.00 0.00 H +ATOM 8620 H2 WAT 2517 47.031 52.556 41.048 1.00 0.00 H +TER +ATOM 8621 O WAT 2518 51.439 40.776 50.836 1.00 0.00 O +ATOM 8622 H1 WAT 2518 50.824 41.284 50.308 1.00 0.00 H +ATOM 8623 H2 WAT 2518 51.119 39.875 50.779 1.00 0.00 H +TER +ATOM 8624 O WAT 2519 34.442 47.617 47.663 1.00 0.00 O +ATOM 8625 H1 WAT 2519 34.605 47.148 46.845 1.00 0.00 H +ATOM 8626 H2 WAT 2519 34.907 47.110 48.328 1.00 0.00 H +TER +ATOM 8627 O WAT 2520 48.501 40.836 49.432 1.00 0.00 O +ATOM 8628 H1 WAT 2520 47.651 40.536 49.753 1.00 0.00 H +ATOM 8629 H2 WAT 2520 48.341 41.080 48.520 1.00 0.00 H +TER +ATOM 8630 O WAT 2521 45.596 42.336 51.532 1.00 0.00 O +ATOM 8631 H1 WAT 2521 45.922 41.502 51.192 1.00 0.00 H +ATOM 8632 H2 WAT 2521 46.384 42.859 51.680 1.00 0.00 H +TER +ATOM 8633 O WAT 2522 46.235 41.878 39.026 1.00 0.00 O +ATOM 8634 H1 WAT 2522 45.636 42.601 38.842 1.00 0.00 H +ATOM 8635 H2 WAT 2522 46.783 41.815 38.244 1.00 0.00 H +TER +ATOM 8636 O WAT 2523 41.445 42.770 51.093 1.00 0.00 O +ATOM 8637 H1 WAT 2523 41.350 41.829 50.943 1.00 0.00 H +ATOM 8638 H2 WAT 2523 42.288 42.991 50.698 1.00 0.00 H +TER +ATOM 8639 O WAT 2524 36.576 39.181 49.246 1.00 0.00 O +ATOM 8640 H1 WAT 2524 36.183 40.029 49.454 1.00 0.00 H +ATOM 8641 H2 WAT 2524 35.888 38.544 49.437 1.00 0.00 H +TER +ATOM 8642 O WAT 2525 45.427 43.105 45.151 1.00 0.00 O +ATOM 8643 H1 WAT 2525 44.695 43.613 45.500 1.00 0.00 H +ATOM 8644 H2 WAT 2525 45.030 42.288 44.850 1.00 0.00 H +TER +ATOM 8645 O WAT 2526 40.939 43.091 35.946 1.00 0.00 O +ATOM 8646 H1 WAT 2526 40.371 42.643 35.319 1.00 0.00 H +ATOM 8647 H2 WAT 2526 41.648 43.451 35.412 1.00 0.00 H +TER +ATOM 8648 O WAT 2527 49.317 35.971 50.402 1.00 0.00 O +ATOM 8649 H1 WAT 2527 49.641 35.240 50.928 1.00 0.00 H +ATOM 8650 H2 WAT 2527 49.352 35.653 49.501 1.00 0.00 H +TER +ATOM 8651 O WAT 2528 36.016 46.993 49.822 1.00 0.00 O +ATOM 8652 H1 WAT 2528 35.631 46.352 50.421 1.00 0.00 H +ATOM 8653 H2 WAT 2528 36.327 47.696 50.392 1.00 0.00 H +TER +ATOM 8654 O WAT 2529 42.166 43.840 45.303 1.00 0.00 O +ATOM 8655 H1 WAT 2529 42.533 43.366 46.049 1.00 0.00 H +ATOM 8656 H2 WAT 2529 41.976 44.714 45.644 1.00 0.00 H +TER +ATOM 8657 O WAT 2530 39.956 42.881 47.622 1.00 0.00 O +ATOM 8658 H1 WAT 2530 39.651 43.760 47.847 1.00 0.00 H +ATOM 8659 H2 WAT 2530 40.910 42.941 47.657 1.00 0.00 H +TER +ATOM 8660 O WAT 2531 38.484 47.087 38.218 1.00 0.00 O +ATOM 8661 H1 WAT 2531 37.710 46.547 38.058 1.00 0.00 H +ATOM 8662 H2 WAT 2531 39.213 46.568 37.880 1.00 0.00 H +TER +ATOM 8663 O WAT 2532 49.243 46.084 44.011 1.00 0.00 O +ATOM 8664 H1 WAT 2532 49.962 46.579 43.621 1.00 0.00 H +ATOM 8665 H2 WAT 2532 49.041 45.405 43.366 1.00 0.00 H +TER +ATOM 8666 O WAT 2533 44.624 46.155 49.898 1.00 0.00 O +ATOM 8667 H1 WAT 2533 44.558 45.234 49.644 1.00 0.00 H +ATOM 8668 H2 WAT 2533 43.995 46.252 50.612 1.00 0.00 H +TER +ATOM 8669 O WAT 2534 38.527 46.755 41.856 1.00 0.00 O +ATOM 8670 H1 WAT 2534 39.045 45.952 41.802 1.00 0.00 H +ATOM 8671 H2 WAT 2534 38.076 46.693 42.698 1.00 0.00 H +TER +ATOM 8672 O WAT 2535 43.414 48.022 37.129 1.00 0.00 O +ATOM 8673 H1 WAT 2535 43.756 48.766 36.633 1.00 0.00 H +ATOM 8674 H2 WAT 2535 42.586 48.335 37.491 1.00 0.00 H +TER +ATOM 8675 O WAT 2536 36.012 43.721 48.769 1.00 0.00 O +ATOM 8676 H1 WAT 2536 35.653 44.387 49.356 1.00 0.00 H +ATOM 8677 H2 WAT 2536 35.717 42.890 49.140 1.00 0.00 H +TER +ATOM 8678 O WAT 2537 39.213 44.180 51.653 1.00 0.00 O +ATOM 8679 H1 WAT 2537 38.913 44.325 50.756 1.00 0.00 H +ATOM 8680 H2 WAT 2537 39.984 43.620 51.560 1.00 0.00 H +TER +ATOM 8681 O WAT 2538 44.556 48.977 49.648 1.00 0.00 O +ATOM 8682 H1 WAT 2538 44.571 48.045 49.430 1.00 0.00 H +ATOM 8683 H2 WAT 2538 43.849 49.063 50.287 1.00 0.00 H +TER +ATOM 8684 O WAT 2539 50.767 45.617 48.995 1.00 0.00 O +ATOM 8685 H1 WAT 2539 50.042 46.210 48.798 1.00 0.00 H +ATOM 8686 H2 WAT 2539 51.295 45.610 48.196 1.00 0.00 H +TER +ATOM 8687 O WAT 2540 50.719 50.015 38.646 1.00 0.00 O +ATOM 8688 H1 WAT 2540 50.076 49.360 38.921 1.00 0.00 H +ATOM 8689 H2 WAT 2540 50.332 50.420 37.870 1.00 0.00 H +TER +ATOM 8690 O WAT 2541 46.297 47.343 42.494 1.00 0.00 O +ATOM 8691 H1 WAT 2541 46.650 46.746 41.834 1.00 0.00 H +ATOM 8692 H2 WAT 2541 45.413 47.018 42.664 1.00 0.00 H +TER +ATOM 8693 O WAT 2542 42.383 48.103 39.901 1.00 0.00 O +ATOM 8694 H1 WAT 2542 43.071 48.650 40.281 1.00 0.00 H +ATOM 8695 H2 WAT 2542 41.597 48.647 39.936 1.00 0.00 H +TER +ATOM 8696 O WAT 2543 41.686 45.108 39.513 1.00 0.00 O +ATOM 8697 H1 WAT 2543 42.142 45.918 39.739 1.00 0.00 H +ATOM 8698 H2 WAT 2543 41.335 44.790 40.345 1.00 0.00 H +TER +ATOM 8699 O WAT 2544 43.989 50.618 46.742 1.00 0.00 O +ATOM 8700 H1 WAT 2544 44.634 50.824 47.420 1.00 0.00 H +ATOM 8701 H2 WAT 2544 44.352 49.857 46.289 1.00 0.00 H +TER +ATOM 8702 O WAT 2545 45.263 48.622 45.460 1.00 0.00 O +ATOM 8703 H1 WAT 2545 45.905 47.921 45.573 1.00 0.00 H +ATOM 8704 H2 WAT 2545 45.788 49.401 45.280 1.00 0.00 H +TER +ATOM 8705 O WAT 2546 49.108 48.906 35.184 1.00 0.00 O +ATOM 8706 H1 WAT 2546 48.882 48.190 35.776 1.00 0.00 H +ATOM 8707 H2 WAT 2546 48.718 48.658 34.346 1.00 0.00 H +TER +ATOM 8708 O WAT 2547 47.036 49.421 48.664 1.00 0.00 O +ATOM 8709 H1 WAT 2547 47.372 50.008 49.341 1.00 0.00 H +ATOM 8710 H2 WAT 2547 46.116 49.290 48.893 1.00 0.00 H +TER +ATOM 8711 O WAT 2548 34.890 52.933 35.958 1.00 0.00 O +ATOM 8712 H1 WAT 2548 35.250 53.532 35.304 1.00 0.00 H +ATOM 8713 H2 WAT 2548 34.749 53.479 36.732 1.00 0.00 H +TER +ATOM 8714 O WAT 2549 34.587 37.211 49.446 1.00 0.00 O +ATOM 8715 H1 WAT 2549 33.873 37.410 50.051 1.00 0.00 H +ATOM 8716 H2 WAT 2549 35.006 36.435 49.818 1.00 0.00 H +TER +ATOM 8717 O WAT 2550 48.690 46.824 36.845 1.00 0.00 O +ATOM 8718 H1 WAT 2550 48.402 47.285 37.633 1.00 0.00 H +ATOM 8719 H2 WAT 2550 49.485 46.363 37.114 1.00 0.00 H +TER +ATOM 8720 O WAT 2551 34.874 51.199 50.433 1.00 0.00 O +ATOM 8721 H1 WAT 2551 34.983 50.258 50.292 1.00 0.00 H +ATOM 8722 H2 WAT 2551 34.222 51.464 49.784 1.00 0.00 H +TER +ATOM 8723 O WAT 2552 42.865 49.470 51.832 1.00 0.00 O +ATOM 8724 H1 WAT 2552 42.545 48.751 52.377 1.00 0.00 H +ATOM 8725 H2 WAT 2552 42.191 50.146 51.906 1.00 0.00 H +TER +ATOM 8726 O WAT 2553 40.907 50.316 36.776 1.00 0.00 O +ATOM 8727 H1 WAT 2553 40.898 51.049 36.160 1.00 0.00 H +ATOM 8728 H2 WAT 2553 39.987 50.069 36.869 1.00 0.00 H +TER +ATOM 8729 O WAT 2554 46.081 39.703 47.196 1.00 0.00 O +ATOM 8730 H1 WAT 2554 46.449 38.882 47.524 1.00 0.00 H +ATOM 8731 H2 WAT 2554 45.220 39.763 47.612 1.00 0.00 H +TER +ATOM 8732 O WAT 2555 49.447 38.659 38.005 1.00 0.00 O +ATOM 8733 H1 WAT 2555 48.818 38.763 37.291 1.00 0.00 H +ATOM 8734 H2 WAT 2555 48.952 38.878 38.794 1.00 0.00 H +TER +ATOM 8735 O WAT 2556 43.893 50.379 35.438 1.00 0.00 O +ATOM 8736 H1 WAT 2556 43.994 50.176 34.509 1.00 0.00 H +ATOM 8737 H2 WAT 2556 42.993 50.125 35.643 1.00 0.00 H +TER +ATOM 8738 O WAT 2557 43.041 42.357 47.420 1.00 0.00 O +ATOM 8739 H1 WAT 2557 43.539 42.831 48.085 1.00 0.00 H +ATOM 8740 H2 WAT 2557 43.183 41.433 47.627 1.00 0.00 H +TER +ATOM 8741 O WAT 2558 42.534 52.898 40.133 1.00 0.00 O +ATOM 8742 H1 WAT 2558 42.789 52.860 39.211 1.00 0.00 H +ATOM 8743 H2 WAT 2558 41.586 52.771 40.126 1.00 0.00 H +TER +ATOM 8744 O WAT 2559 50.248 38.574 48.263 1.00 0.00 O +ATOM 8745 H1 WAT 2559 49.745 39.314 48.602 1.00 0.00 H +ATOM 8746 H2 WAT 2559 51.063 38.962 47.946 1.00 0.00 H +TER +ATOM 8747 O WAT 2560 48.540 43.817 41.709 1.00 0.00 O +ATOM 8748 H1 WAT 2560 47.599 43.832 41.884 1.00 0.00 H +ATOM 8749 H2 WAT 2560 48.854 43.031 42.155 1.00 0.00 H +TER +ATOM 8750 O WAT 2561 50.542 50.988 43.384 1.00 0.00 O +ATOM 8751 H1 WAT 2561 50.667 51.811 43.857 1.00 0.00 H +ATOM 8752 H2 WAT 2561 51.409 50.777 43.037 1.00 0.00 H +TER +ATOM 8753 O WAT 2562 38.014 53.081 43.056 1.00 0.00 O +ATOM 8754 H1 WAT 2562 38.750 52.532 43.327 1.00 0.00 H +ATOM 8755 H2 WAT 2562 38.398 53.947 42.917 1.00 0.00 H +TER +ATOM 8756 O WAT 2563 34.899 49.148 38.930 1.00 0.00 O +ATOM 8757 H1 WAT 2563 33.973 49.390 38.921 1.00 0.00 H +ATOM 8758 H2 WAT 2563 35.364 49.976 38.809 1.00 0.00 H +TER +ATOM 8759 O WAT 2564 37.020 52.266 52.245 1.00 0.00 O +ATOM 8760 H1 WAT 2564 37.821 52.587 52.658 1.00 0.00 H +ATOM 8761 H2 WAT 2564 36.505 51.905 52.967 1.00 0.00 H +TER +ATOM 8762 O WAT 2565 41.124 52.254 34.879 1.00 0.00 O +ATOM 8763 H1 WAT 2565 41.917 52.543 34.427 1.00 0.00 H +ATOM 8764 H2 WAT 2565 40.605 51.823 34.200 1.00 0.00 H +TER +ATOM 8765 O WAT 2566 45.856 48.374 52.192 1.00 0.00 O +ATOM 8766 H1 WAT 2566 45.250 48.397 51.452 1.00 0.00 H +ATOM 8767 H2 WAT 2566 45.552 47.642 52.729 1.00 0.00 H +TER +ATOM 8768 O WAT 2567 47.286 52.102 50.803 1.00 0.00 O +ATOM 8769 H1 WAT 2567 48.239 52.017 50.753 1.00 0.00 H +ATOM 8770 H2 WAT 2567 47.139 52.766 51.477 1.00 0.00 H +TER +ATOM 8771 O WAT 2568 50.177 51.481 36.302 1.00 0.00 O +ATOM 8772 H1 WAT 2568 49.891 51.067 35.488 1.00 0.00 H +ATOM 8773 H2 WAT 2568 49.979 52.410 36.182 1.00 0.00 H +TER +ATOM 8774 O WAT 2569 34.740 44.753 51.188 1.00 0.00 O +ATOM 8775 H1 WAT 2569 35.244 44.174 51.760 1.00 0.00 H +ATOM 8776 H2 WAT 2569 34.000 45.037 51.726 1.00 0.00 H +TER +ATOM 8777 O WAT 2570 41.642 47.474 34.743 1.00 0.00 O +ATOM 8778 H1 WAT 2570 41.537 46.860 35.469 1.00 0.00 H +ATOM 8779 H2 WAT 2570 41.474 46.951 33.959 1.00 0.00 H +TER +ATOM 8780 O WAT 2571 41.793 46.160 50.722 1.00 0.00 O +ATOM 8781 H1 WAT 2571 41.028 46.728 50.637 1.00 0.00 H +ATOM 8782 H2 WAT 2571 41.975 45.868 49.829 1.00 0.00 H +TER +ATOM 8783 O WAT 2572 48.936 47.891 51.279 1.00 0.00 O +ATOM 8784 H1 WAT 2572 49.677 48.228 50.776 1.00 0.00 H +ATOM 8785 H2 WAT 2572 48.173 48.060 50.726 1.00 0.00 H +TER +ATOM 8786 O WAT 2573 36.772 42.896 52.083 1.00 0.00 O +ATOM 8787 H1 WAT 2573 36.813 42.597 52.992 1.00 0.00 H +ATOM 8788 H2 WAT 2573 37.627 43.297 51.924 1.00 0.00 H +TER +ATOM 8789 O WAT 2574 40.550 45.495 37.244 1.00 0.00 O +ATOM 8790 H1 WAT 2574 40.971 45.329 38.087 1.00 0.00 H +ATOM 8791 H2 WAT 2574 40.675 44.685 36.749 1.00 0.00 H +TER +ATOM 8792 O WAT 2575 38.713 41.475 50.051 1.00 0.00 O +ATOM 8793 H1 WAT 2575 38.182 40.984 49.423 1.00 0.00 H +ATOM 8794 H2 WAT 2575 39.381 41.903 49.516 1.00 0.00 H +TER +ATOM 8795 O WAT 2576 43.063 44.519 34.491 1.00 0.00 O +ATOM 8796 H1 WAT 2576 43.583 43.804 34.125 1.00 0.00 H +ATOM 8797 H2 WAT 2576 43.709 45.158 34.791 1.00 0.00 H +TER +ATOM 8798 O WAT 2577 47.610 45.942 49.815 1.00 0.00 O +ATOM 8799 H1 WAT 2577 48.024 46.097 50.664 1.00 0.00 H +ATOM 8800 H2 WAT 2577 46.675 46.068 49.977 1.00 0.00 H +TER +ATOM 8801 O WAT 2578 48.083 43.282 51.819 1.00 0.00 O +ATOM 8802 H1 WAT 2578 48.665 42.527 51.731 1.00 0.00 H +ATOM 8803 H2 WAT 2578 48.259 43.812 51.042 1.00 0.00 H +TER +ATOM 8804 O WAT 2579 42.372 45.894 47.784 1.00 0.00 O +ATOM 8805 H1 WAT 2579 42.791 46.737 47.612 1.00 0.00 H +ATOM 8806 H2 WAT 2579 41.453 46.031 47.555 1.00 0.00 H +TER +ATOM 8807 O WAT 2580 44.708 43.626 49.168 1.00 0.00 O +ATOM 8808 H1 WAT 2580 44.828 43.030 49.908 1.00 0.00 H +ATOM 8809 H2 WAT 2580 45.568 43.663 48.748 1.00 0.00 H +TER +ATOM 8810 O WAT 2581 47.047 44.179 47.744 1.00 0.00 O +ATOM 8811 H1 WAT 2581 46.521 44.704 47.141 1.00 0.00 H +ATOM 8812 H2 WAT 2581 47.390 44.812 48.375 1.00 0.00 H +TER +ATOM 8813 O WAT 2582 40.223 52.199 48.900 1.00 0.00 O +ATOM 8814 H1 WAT 2582 39.685 52.924 48.581 1.00 0.00 H +ATOM 8815 H2 WAT 2582 40.476 51.722 48.110 1.00 0.00 H +TER +ATOM 8816 O WAT 2583 43.079 53.434 49.159 1.00 0.00 O +ATOM 8817 H1 WAT 2583 43.005 54.338 49.466 1.00 0.00 H +ATOM 8818 H2 WAT 2583 42.177 53.116 49.131 1.00 0.00 H +TER +ATOM 8819 O WAT 2584 43.627 52.600 36.781 1.00 0.00 O +ATOM 8820 H1 WAT 2584 44.522 52.939 36.803 1.00 0.00 H +ATOM 8821 H2 WAT 2584 43.659 51.878 36.154 1.00 0.00 H +TER +ATOM 8822 O WAT 2585 34.482 50.762 42.462 1.00 0.00 O +ATOM 8823 H1 WAT 2585 34.812 49.894 42.230 1.00 0.00 H +ATOM 8824 H2 WAT 2585 34.911 50.968 43.293 1.00 0.00 H +TER +ATOM 8825 O WAT 2586 39.078 49.093 40.122 1.00 0.00 O +ATOM 8826 H1 WAT 2586 38.777 48.969 41.023 1.00 0.00 H +ATOM 8827 H2 WAT 2586 38.972 48.234 39.714 1.00 0.00 H +TER +ATOM 8828 O WAT 2587 34.971 51.629 45.200 1.00 0.00 O +ATOM 8829 H1 WAT 2587 34.534 51.809 46.033 1.00 0.00 H +ATOM 8830 H2 WAT 2587 35.538 52.386 45.059 1.00 0.00 H +TER +ATOM 8831 O WAT 2588 50.607 51.131 49.488 1.00 0.00 O +ATOM 8832 H1 WAT 2588 50.007 51.190 48.745 1.00 0.00 H +ATOM 8833 H2 WAT 2588 50.736 50.191 49.618 1.00 0.00 H +TER +ATOM 8834 O WAT 2589 51.847 48.872 34.825 1.00 0.00 O +ATOM 8835 H1 WAT 2589 51.016 48.940 35.296 1.00 0.00 H +ATOM 8836 H2 WAT 2589 52.024 49.763 34.522 1.00 0.00 H +TER +ATOM 8837 O WAT 2590 51.303 45.617 37.328 1.00 0.00 O +ATOM 8838 H1 WAT 2590 52.065 46.187 37.434 1.00 0.00 H +ATOM 8839 H2 WAT 2590 51.318 45.050 38.099 1.00 0.00 H +TER +ATOM 8840 O WAT 2591 52.309 46.472 42.173 1.00 0.00 O +ATOM 8841 H1 WAT 2591 52.679 45.689 41.766 1.00 0.00 H +ATOM 8842 H2 WAT 2591 52.949 47.161 41.994 1.00 0.00 H +TER +ATOM 8843 O WAT 2592 49.292 47.856 47.586 1.00 0.00 O +ATOM 8844 H1 WAT 2592 48.478 48.286 47.848 1.00 0.00 H +ATOM 8845 H2 WAT 2592 49.699 48.468 46.973 1.00 0.00 H +TER +ATOM 8846 O WAT 2593 51.355 45.911 34.486 1.00 0.00 O +ATOM 8847 H1 WAT 2593 51.629 46.819 34.358 1.00 0.00 H +ATOM 8848 H2 WAT 2593 51.166 45.847 35.422 1.00 0.00 H +TER +ATOM 8849 O WAT 2594 51.251 43.848 39.479 1.00 0.00 O +ATOM 8850 H1 WAT 2594 50.875 43.080 39.047 1.00 0.00 H +ATOM 8851 H2 WAT 2594 50.521 44.230 39.966 1.00 0.00 H +TER +ATOM 8852 O WAT 2595 35.841 44.526 46.100 1.00 0.00 O +ATOM 8853 H1 WAT 2595 36.208 44.439 46.979 1.00 0.00 H +ATOM 8854 H2 WAT 2595 35.272 43.763 46.000 1.00 0.00 H +TER +ATOM 8855 O WAT 2596 50.641 42.995 49.113 1.00 0.00 O +ATOM 8856 H1 WAT 2596 50.410 42.766 48.212 1.00 0.00 H +ATOM 8857 H2 WAT 2596 50.901 43.915 49.067 1.00 0.00 H +TER +ATOM 8858 O WAT 2597 35.392 41.437 50.005 1.00 0.00 O +ATOM 8859 H1 WAT 2597 34.498 41.404 50.345 1.00 0.00 H +ATOM 8860 H2 WAT 2597 35.932 41.636 50.771 1.00 0.00 H +TER +ATOM 8861 O WAT 2598 49.080 38.220 51.891 1.00 0.00 O +ATOM 8862 H1 WAT 2598 49.957 38.229 52.274 1.00 0.00 H +ATOM 8863 H2 WAT 2598 49.092 37.483 51.280 1.00 0.00 H +TER +ATOM 8864 O WAT 2599 50.526 42.073 42.779 1.00 0.00 O +ATOM 8865 H1 WAT 2599 51.050 41.580 42.148 1.00 0.00 H +ATOM 8866 H2 WAT 2599 51.112 42.208 43.524 1.00 0.00 H +TER +ATOM 8867 O WAT 2600 50.705 42.157 46.301 1.00 0.00 O +ATOM 8868 H1 WAT 2600 49.755 42.124 46.416 1.00 0.00 H +ATOM 8869 H2 WAT 2600 50.886 43.067 46.066 1.00 0.00 H +TER +ATOM 8870 O WAT 2601 50.016 41.331 38.719 1.00 0.00 O +ATOM 8871 H1 WAT 2601 50.512 41.098 39.504 1.00 0.00 H +ATOM 8872 H2 WAT 2601 49.818 40.492 38.302 1.00 0.00 H +TER +ATOM 8873 O WAT 2602 35.896 35.712 44.354 1.00 0.00 O +ATOM 8874 H1 WAT 2602 36.544 35.162 43.913 1.00 0.00 H +ATOM 8875 H2 WAT 2602 36.316 35.966 45.175 1.00 0.00 H +TER +ATOM 8876 O WAT 2603 51.445 39.967 41.252 1.00 0.00 O +ATOM 8877 H1 WAT 2603 51.335 39.812 42.191 1.00 0.00 H +ATOM 8878 H2 WAT 2603 52.206 39.439 41.010 1.00 0.00 H +TER +ATOM 8879 O WAT 2604 49.791 35.906 47.711 1.00 0.00 O +ATOM 8880 H1 WAT 2604 50.429 36.520 48.077 1.00 0.00 H +ATOM 8881 H2 WAT 2604 49.939 35.942 46.766 1.00 0.00 H +TER +ATOM 8882 O WAT 2605 52.334 37.798 34.493 1.00 0.00 O +ATOM 8883 H1 WAT 2605 53.259 37.666 34.285 1.00 0.00 H +ATOM 8884 H2 WAT 2605 52.311 37.877 35.447 1.00 0.00 H +TER +ATOM 8885 O WAT 2606 52.408 38.569 37.119 1.00 0.00 O +ATOM 8886 H1 WAT 2606 51.613 38.503 37.648 1.00 0.00 H +ATOM 8887 H2 WAT 2606 52.612 39.504 37.107 1.00 0.00 H +TER +ATOM 8888 O WAT 2607 49.350 52.608 41.113 1.00 0.00 O +ATOM 8889 H1 WAT 2607 49.945 52.286 40.436 1.00 0.00 H +ATOM 8890 H2 WAT 2607 49.607 52.135 41.904 1.00 0.00 H +TER +ATOM 8891 O WAT 2608 35.649 35.868 47.096 1.00 0.00 O +ATOM 8892 H1 WAT 2608 35.301 36.324 47.862 1.00 0.00 H +ATOM 8893 H2 WAT 2608 35.318 34.973 47.179 1.00 0.00 H +TER +ATOM 8894 O WAT 2609 37.256 49.040 51.262 1.00 0.00 O +ATOM 8895 H1 WAT 2609 37.213 48.669 52.143 1.00 0.00 H +ATOM 8896 H2 WAT 2609 37.387 49.977 51.402 1.00 0.00 H +TER +ATOM 8897 O WAT 2610 40.956 50.595 46.863 1.00 0.00 O +ATOM 8898 H1 WAT 2610 40.716 50.863 45.976 1.00 0.00 H +ATOM 8899 H2 WAT 2610 41.897 50.766 46.918 1.00 0.00 H +TER +ATOM 8900 O WAT 2611 52.217 52.615 47.664 1.00 0.00 O +ATOM 8901 H1 WAT 2611 51.723 53.012 46.946 1.00 0.00 H +ATOM 8902 H2 WAT 2611 51.608 51.990 48.057 1.00 0.00 H +TER +ATOM 8903 O WAT 2612 36.321 35.395 50.371 1.00 0.00 O +ATOM 8904 H1 WAT 2612 36.870 35.214 49.608 1.00 0.00 H +ATOM 8905 H2 WAT 2612 36.387 34.605 50.907 1.00 0.00 H +TER +ATOM 8906 O WAT 2613 37.095 51.986 48.381 1.00 0.00 O +ATOM 8907 H1 WAT 2613 36.501 51.854 49.120 1.00 0.00 H +ATOM 8908 H2 WAT 2613 37.087 51.150 47.916 1.00 0.00 H +TER +ATOM 8909 O WAT 2614 47.447 37.486 47.969 1.00 0.00 O +ATOM 8910 H1 WAT 2614 47.119 36.671 47.589 1.00 0.00 H +ATOM 8911 H2 WAT 2614 48.396 37.443 47.845 1.00 0.00 H +TER +ATOM 8912 O WAT 2615 49.901 53.257 44.942 1.00 0.00 O +ATOM 8913 H1 WAT 2615 49.441 54.009 44.568 1.00 0.00 H +ATOM 8914 H2 WAT 2615 49.272 52.538 44.884 1.00 0.00 H +TER +ATOM 8915 O WAT 2616 36.726 49.352 47.332 1.00 0.00 O +ATOM 8916 H1 WAT 2616 35.999 48.732 47.265 1.00 0.00 H +ATOM 8917 H2 WAT 2616 36.787 49.746 46.462 1.00 0.00 H +TER +ATOM 8918 O WAT 2617 40.330 51.566 44.117 1.00 0.00 O +ATOM 8919 H1 WAT 2617 40.847 50.955 43.592 1.00 0.00 H +ATOM 8920 H2 WAT 2617 40.980 52.069 44.608 1.00 0.00 H +TER +ATOM 8921 O WAT 2618 43.070 52.457 44.944 1.00 0.00 O +ATOM 8922 H1 WAT 2618 43.358 52.202 44.067 1.00 0.00 H +ATOM 8923 H2 WAT 2618 43.582 51.905 45.535 1.00 0.00 H +TER +ATOM 8924 O WAT 2619 48.840 36.898 43.569 1.00 0.00 O +ATOM 8925 H1 WAT 2619 49.281 36.843 42.721 1.00 0.00 H +ATOM 8926 H2 WAT 2619 48.571 37.814 43.640 1.00 0.00 H +TER +ATOM 8927 O WAT 2620 50.704 36.530 41.579 1.00 0.00 O +ATOM 8928 H1 WAT 2620 50.642 35.586 41.433 1.00 0.00 H +ATOM 8929 H2 WAT 2620 51.483 36.638 42.125 1.00 0.00 H +TER +ATOM 8930 O WAT 2621 35.009 52.669 40.542 1.00 0.00 O +ATOM 8931 H1 WAT 2621 34.841 52.036 41.240 1.00 0.00 H +ATOM 8932 H2 WAT 2621 34.142 52.875 40.191 1.00 0.00 H +TER +ATOM 8933 O WAT 2622 36.615 51.362 37.987 1.00 0.00 O +ATOM 8934 H1 WAT 2622 36.090 51.743 37.283 1.00 0.00 H +ATOM 8935 H2 WAT 2622 36.540 51.987 38.708 1.00 0.00 H +TER +ATOM 8936 O WAT 2623 43.137 53.379 52.311 1.00 0.00 O +ATOM 8937 H1 WAT 2623 44.064 53.143 52.354 1.00 0.00 H +ATOM 8938 H2 WAT 2623 43.122 54.206 51.829 1.00 0.00 H +TER +ATOM 8939 O WAT 2624 51.372 52.921 39.308 1.00 0.00 O +ATOM 8940 H1 WAT 2624 51.547 52.235 38.664 1.00 0.00 H +ATOM 8941 H2 WAT 2624 50.674 53.446 38.916 1.00 0.00 H +TER +ATOM 8942 O WAT 2625 39.214 53.311 36.862 1.00 0.00 O +ATOM 8943 H1 WAT 2625 39.946 53.027 36.314 1.00 0.00 H +ATOM 8944 H2 WAT 2625 39.474 53.072 37.752 1.00 0.00 H +TER +ATOM 8945 O WAT 2626 38.376 49.427 36.866 1.00 0.00 O +ATOM 8946 H1 WAT 2626 37.747 49.896 37.415 1.00 0.00 H +ATOM 8947 H2 WAT 2626 38.491 48.582 37.301 1.00 0.00 H +TER +ATOM 8948 O WAT 2627 49.705 52.606 52.135 1.00 0.00 O +ATOM 8949 H1 WAT 2627 50.497 52.110 51.928 1.00 0.00 H +ATOM 8950 H2 WAT 2627 49.998 53.285 52.743 1.00 0.00 H +TER +ATOM 8951 O WAT 2628 45.831 43.478 23.017 1.00 0.00 O +ATOM 8952 H1 WAT 2628 45.750 42.563 22.746 1.00 0.00 H +ATOM 8953 H2 WAT 2628 45.417 43.974 22.311 1.00 0.00 H +TER +ATOM 8954 O WAT 2629 43.963 45.256 24.897 1.00 0.00 O +ATOM 8955 H1 WAT 2629 43.187 44.776 25.187 1.00 0.00 H +ATOM 8956 H2 WAT 2629 44.614 44.576 24.723 1.00 0.00 H +TER +ATOM 8957 O WAT 2630 47.983 49.662 23.677 1.00 0.00 O +ATOM 8958 H1 WAT 2630 47.522 48.890 24.006 1.00 0.00 H +ATOM 8959 H2 WAT 2630 48.796 49.688 24.183 1.00 0.00 H +TER +ATOM 8960 O WAT 2631 44.210 51.947 23.298 1.00 0.00 O +ATOM 8961 H1 WAT 2631 43.591 52.403 22.727 1.00 0.00 H +ATOM 8962 H2 WAT 2631 45.065 52.103 22.897 1.00 0.00 H +TER +ATOM 8963 O WAT 2632 43.404 47.931 24.905 1.00 0.00 O +ATOM 8964 H1 WAT 2632 43.334 46.990 24.743 1.00 0.00 H +ATOM 8965 H2 WAT 2632 44.166 48.021 25.477 1.00 0.00 H +TER +ATOM 8966 O WAT 2633 52.506 40.250 28.629 1.00 0.00 O +ATOM 8967 H1 WAT 2633 51.802 40.638 28.110 1.00 0.00 H +ATOM 8968 H2 WAT 2633 52.772 40.945 29.231 1.00 0.00 H +TER +ATOM 8969 O WAT 2634 45.076 46.831 20.691 1.00 0.00 O +ATOM 8970 H1 WAT 2634 44.458 47.296 20.127 1.00 0.00 H +ATOM 8971 H2 WAT 2634 45.588 47.524 21.108 1.00 0.00 H +TER +ATOM 8972 O WAT 2635 48.453 40.173 24.837 1.00 0.00 O +ATOM 8973 H1 WAT 2635 47.748 40.462 25.417 1.00 0.00 H +ATOM 8974 H2 WAT 2635 48.814 40.983 24.477 1.00 0.00 H +TER +ATOM 8975 O WAT 2636 39.151 48.327 29.184 1.00 0.00 O +ATOM 8976 H1 WAT 2636 39.769 49.002 28.903 1.00 0.00 H +ATOM 8977 H2 WAT 2636 38.291 48.736 29.093 1.00 0.00 H +TER +ATOM 8978 O WAT 2637 34.444 47.517 18.065 1.00 0.00 O +ATOM 8979 H1 WAT 2637 34.067 48.006 17.333 1.00 0.00 H +ATOM 8980 H2 WAT 2637 34.702 48.189 18.696 1.00 0.00 H +TER +ATOM 8981 O WAT 2638 50.069 49.791 27.100 1.00 0.00 O +ATOM 8982 H1 WAT 2638 49.385 50.461 27.091 1.00 0.00 H +ATOM 8983 H2 WAT 2638 50.608 49.989 26.334 1.00 0.00 H +TER +ATOM 8984 O WAT 2639 51.521 39.619 25.228 1.00 0.00 O +ATOM 8985 H1 WAT 2639 50.574 39.653 25.359 1.00 0.00 H +ATOM 8986 H2 WAT 2639 51.846 40.433 25.613 1.00 0.00 H +TER +ATOM 8987 O WAT 2640 47.605 51.635 25.814 1.00 0.00 O +ATOM 8988 H1 WAT 2640 47.618 51.232 24.946 1.00 0.00 H +ATOM 8989 H2 WAT 2640 47.052 52.410 25.710 1.00 0.00 H +TER +ATOM 8990 O WAT 2641 48.899 48.357 20.903 1.00 0.00 O +ATOM 8991 H1 WAT 2641 48.789 47.414 21.028 1.00 0.00 H +ATOM 8992 H2 WAT 2641 48.896 48.718 21.790 1.00 0.00 H +TER +ATOM 8993 O WAT 2642 47.003 46.538 27.143 1.00 0.00 O +ATOM 8994 H1 WAT 2642 47.420 46.324 26.308 1.00 0.00 H +ATOM 8995 H2 WAT 2642 47.727 46.796 27.713 1.00 0.00 H +TER +ATOM 8996 O WAT 2643 50.950 44.937 27.234 1.00 0.00 O +ATOM 8997 H1 WAT 2643 50.121 45.006 26.759 1.00 0.00 H +ATOM 8998 H2 WAT 2643 51.545 45.522 26.766 1.00 0.00 H +TER +ATOM 8999 O WAT 2644 48.471 45.545 20.763 1.00 0.00 O +ATOM 9000 H1 WAT 2644 47.852 45.207 20.116 1.00 0.00 H +ATOM 9001 H2 WAT 2644 48.454 44.901 21.471 1.00 0.00 H +TER +ATOM 9002 O WAT 2645 47.914 41.724 28.180 1.00 0.00 O +ATOM 9003 H1 WAT 2645 47.501 42.549 28.434 1.00 0.00 H +ATOM 9004 H2 WAT 2645 47.181 41.138 27.987 1.00 0.00 H +TER +ATOM 9005 O WAT 2646 48.604 51.770 28.868 1.00 0.00 O +ATOM 9006 H1 WAT 2646 48.127 52.577 28.675 1.00 0.00 H +ATOM 9007 H2 WAT 2646 47.920 51.118 29.020 1.00 0.00 H +TER +ATOM 9008 O WAT 2647 46.648 44.784 17.770 1.00 0.00 O +ATOM 9009 H1 WAT 2647 47.087 43.946 17.624 1.00 0.00 H +ATOM 9010 H2 WAT 2647 47.360 45.417 17.857 1.00 0.00 H +TER +ATOM 9011 O WAT 2648 44.757 49.724 21.738 1.00 0.00 O +ATOM 9012 H1 WAT 2648 45.197 50.466 21.324 1.00 0.00 H +ATOM 9013 H2 WAT 2648 44.696 49.966 22.662 1.00 0.00 H +TER +ATOM 9014 O WAT 2649 40.232 50.748 32.640 1.00 0.00 O +ATOM 9015 H1 WAT 2649 40.204 51.153 31.773 1.00 0.00 H +ATOM 9016 H2 WAT 2649 40.069 49.819 32.478 1.00 0.00 H +TER +ATOM 9017 O WAT 2650 50.229 36.038 16.084 1.00 0.00 O +ATOM 9018 H1 WAT 2650 49.917 36.131 16.984 1.00 0.00 H +ATOM 9019 H2 WAT 2650 50.991 36.617 16.034 1.00 0.00 H +TER +ATOM 9020 O WAT 2651 52.184 51.531 33.937 1.00 0.00 O +ATOM 9021 H1 WAT 2651 52.660 52.009 34.616 1.00 0.00 H +ATOM 9022 H2 WAT 2651 52.804 51.463 33.211 1.00 0.00 H +TER +ATOM 9023 O WAT 2652 51.587 48.722 31.097 1.00 0.00 O +ATOM 9024 H1 WAT 2652 51.713 48.484 30.179 1.00 0.00 H +ATOM 9025 H2 WAT 2652 51.629 47.891 31.569 1.00 0.00 H +TER +ATOM 9026 O WAT 2653 45.449 52.425 29.666 1.00 0.00 O +ATOM 9027 H1 WAT 2653 45.963 52.336 30.469 1.00 0.00 H +ATOM 9028 H2 WAT 2653 44.606 52.771 29.959 1.00 0.00 H +TER +ATOM 9029 O WAT 2654 47.424 52.711 19.095 1.00 0.00 O +ATOM 9030 H1 WAT 2654 47.264 52.421 19.993 1.00 0.00 H +ATOM 9031 H2 WAT 2654 47.259 51.935 18.559 1.00 0.00 H +TER +ATOM 9032 O WAT 2655 39.903 52.491 20.872 1.00 0.00 O +ATOM 9033 H1 WAT 2655 39.727 51.574 20.659 1.00 0.00 H +ATOM 9034 H2 WAT 2655 39.049 52.849 21.112 1.00 0.00 H +TER +ATOM 9035 O WAT 2656 47.127 50.219 17.655 1.00 0.00 O +ATOM 9036 H1 WAT 2656 46.433 50.217 16.995 1.00 0.00 H +ATOM 9037 H2 WAT 2656 47.869 49.795 17.224 1.00 0.00 H +TER +ATOM 9038 O WAT 2657 46.692 51.846 21.729 1.00 0.00 O +ATOM 9039 H1 WAT 2657 47.147 51.065 22.043 1.00 0.00 H +ATOM 9040 H2 WAT 2657 47.031 52.556 22.274 1.00 0.00 H +TER +ATOM 9041 O WAT 2658 51.439 40.776 32.062 1.00 0.00 O +ATOM 9042 H1 WAT 2658 50.824 41.284 31.533 1.00 0.00 H +ATOM 9043 H2 WAT 2658 51.119 39.875 32.004 1.00 0.00 H +TER +ATOM 9044 O WAT 2659 41.445 42.770 32.319 1.00 0.00 O +ATOM 9045 H1 WAT 2659 41.350 41.829 32.169 1.00 0.00 H +ATOM 9046 H2 WAT 2659 42.288 42.991 31.923 1.00 0.00 H +TER +ATOM 9047 O WAT 2660 49.243 46.084 25.237 1.00 0.00 O +ATOM 9048 H1 WAT 2660 49.962 46.579 24.846 1.00 0.00 H +ATOM 9049 H2 WAT 2660 49.041 45.405 24.592 1.00 0.00 H +TER +ATOM 9050 O WAT 2661 44.624 46.155 31.124 1.00 0.00 O +ATOM 9051 H1 WAT 2661 44.558 45.234 30.869 1.00 0.00 H +ATOM 9052 H2 WAT 2661 43.995 46.252 31.838 1.00 0.00 H +TER +ATOM 9053 O WAT 2662 43.414 48.022 18.355 1.00 0.00 O +ATOM 9054 H1 WAT 2662 43.756 48.766 17.859 1.00 0.00 H +ATOM 9055 H2 WAT 2662 42.586 48.335 18.717 1.00 0.00 H +TER +ATOM 9056 O WAT 2663 44.556 48.977 30.874 1.00 0.00 O +ATOM 9057 H1 WAT 2663 44.571 48.045 30.656 1.00 0.00 H +ATOM 9058 H2 WAT 2663 43.849 49.063 31.513 1.00 0.00 H +TER +ATOM 9059 O WAT 2664 49.690 43.161 17.144 1.00 0.00 O +ATOM 9060 H1 WAT 2664 49.606 43.592 16.293 1.00 0.00 H +ATOM 9061 H2 WAT 2664 50.409 43.620 17.576 1.00 0.00 H +TER +ATOM 9062 O WAT 2665 50.767 45.617 30.221 1.00 0.00 O +ATOM 9063 H1 WAT 2665 50.042 46.210 30.024 1.00 0.00 H +ATOM 9064 H2 WAT 2665 51.295 45.610 29.422 1.00 0.00 H +TER +ATOM 9065 O WAT 2666 50.719 50.015 19.872 1.00 0.00 O +ATOM 9066 H1 WAT 2666 50.076 49.360 20.146 1.00 0.00 H +ATOM 9067 H2 WAT 2666 50.332 50.420 19.096 1.00 0.00 H +TER +ATOM 9068 O WAT 2667 46.297 47.343 23.719 1.00 0.00 O +ATOM 9069 H1 WAT 2667 46.650 46.746 23.059 1.00 0.00 H +ATOM 9070 H2 WAT 2667 45.413 47.018 23.890 1.00 0.00 H +TER +ATOM 9071 O WAT 2668 42.383 48.103 21.126 1.00 0.00 O +ATOM 9072 H1 WAT 2668 43.071 48.650 21.507 1.00 0.00 H +ATOM 9073 H2 WAT 2668 41.597 48.647 21.161 1.00 0.00 H +TER +ATOM 9074 O WAT 2669 43.989 50.618 27.968 1.00 0.00 O +ATOM 9075 H1 WAT 2669 44.634 50.824 28.645 1.00 0.00 H +ATOM 9076 H2 WAT 2669 44.352 49.857 27.515 1.00 0.00 H +TER +ATOM 9077 O WAT 2670 45.263 48.622 26.686 1.00 0.00 O +ATOM 9078 H1 WAT 2670 45.905 47.921 26.799 1.00 0.00 H +ATOM 9079 H2 WAT 2670 45.788 49.401 26.505 1.00 0.00 H +TER +ATOM 9080 O WAT 2671 49.108 48.906 16.410 1.00 0.00 O +ATOM 9081 H1 WAT 2671 48.882 48.190 17.002 1.00 0.00 H +ATOM 9082 H2 WAT 2671 48.718 48.658 15.572 1.00 0.00 H +TER +ATOM 9083 O WAT 2672 47.036 49.421 29.889 1.00 0.00 O +ATOM 9084 H1 WAT 2672 47.372 50.008 30.567 1.00 0.00 H +ATOM 9085 H2 WAT 2672 46.116 49.290 30.119 1.00 0.00 H +TER +ATOM 9086 O WAT 2673 34.890 52.933 17.184 1.00 0.00 O +ATOM 9087 H1 WAT 2673 35.250 53.532 16.530 1.00 0.00 H +ATOM 9088 H2 WAT 2673 34.749 53.479 17.958 1.00 0.00 H +TER +ATOM 9089 O WAT 2674 48.690 46.824 18.071 1.00 0.00 O +ATOM 9090 H1 WAT 2674 48.402 47.285 18.859 1.00 0.00 H +ATOM 9091 H2 WAT 2674 49.485 46.363 18.339 1.00 0.00 H +TER +ATOM 9092 O WAT 2675 42.865 49.470 33.058 1.00 0.00 O +ATOM 9093 H1 WAT 2675 42.545 48.751 33.603 1.00 0.00 H +ATOM 9094 H2 WAT 2675 42.191 50.146 33.132 1.00 0.00 H +TER +ATOM 9095 O WAT 2676 40.907 50.316 18.001 1.00 0.00 O +ATOM 9096 H1 WAT 2676 40.898 51.049 17.386 1.00 0.00 H +ATOM 9097 H2 WAT 2676 39.987 50.069 18.094 1.00 0.00 H +TER +ATOM 9098 O WAT 2677 43.893 50.379 16.664 1.00 0.00 O +ATOM 9099 H1 WAT 2677 43.994 50.176 15.734 1.00 0.00 H +ATOM 9100 H2 WAT 2677 42.993 50.125 16.869 1.00 0.00 H +TER +ATOM 9101 O WAT 2678 42.534 52.898 21.359 1.00 0.00 O +ATOM 9102 H1 WAT 2678 42.789 52.860 20.437 1.00 0.00 H +ATOM 9103 H2 WAT 2678 41.586 52.771 21.352 1.00 0.00 H +TER +ATOM 9104 O WAT 2679 50.248 38.574 29.488 1.00 0.00 O +ATOM 9105 H1 WAT 2679 49.745 39.314 29.828 1.00 0.00 H +ATOM 9106 H2 WAT 2679 51.063 38.962 29.172 1.00 0.00 H +TER +ATOM 9107 O WAT 2680 48.540 43.817 22.935 1.00 0.00 O +ATOM 9108 H1 WAT 2680 47.599 43.832 23.109 1.00 0.00 H +ATOM 9109 H2 WAT 2680 48.854 43.031 23.381 1.00 0.00 H +TER +ATOM 9110 O WAT 2681 38.518 45.499 16.495 1.00 0.00 O +ATOM 9111 H1 WAT 2681 39.284 45.387 17.058 1.00 0.00 H +ATOM 9112 H2 WAT 2681 38.595 44.803 15.843 1.00 0.00 H +TER +ATOM 9113 O WAT 2682 50.542 50.988 24.610 1.00 0.00 O +ATOM 9114 H1 WAT 2682 50.667 51.811 25.082 1.00 0.00 H +ATOM 9115 H2 WAT 2682 51.409 50.777 24.262 1.00 0.00 H +TER +ATOM 9116 O WAT 2683 38.014 53.081 24.282 1.00 0.00 O +ATOM 9117 H1 WAT 2683 38.750 52.532 24.553 1.00 0.00 H +ATOM 9118 H2 WAT 2683 38.398 53.947 24.142 1.00 0.00 H +TER +ATOM 9119 O WAT 2684 37.020 52.266 33.470 1.00 0.00 O +ATOM 9120 H1 WAT 2684 37.821 52.587 33.884 1.00 0.00 H +ATOM 9121 H2 WAT 2684 36.505 51.905 34.192 1.00 0.00 H +TER +ATOM 9122 O WAT 2685 41.124 52.254 16.104 1.00 0.00 O +ATOM 9123 H1 WAT 2685 41.917 52.543 15.652 1.00 0.00 H +ATOM 9124 H2 WAT 2685 40.605 51.823 15.426 1.00 0.00 H +TER +ATOM 9125 O WAT 2686 45.856 48.374 33.418 1.00 0.00 O +ATOM 9126 H1 WAT 2686 45.250 48.397 32.677 1.00 0.00 H +ATOM 9127 H2 WAT 2686 45.552 47.642 33.955 1.00 0.00 H +TER +ATOM 9128 O WAT 2687 47.286 52.102 32.029 1.00 0.00 O +ATOM 9129 H1 WAT 2687 48.239 52.017 31.979 1.00 0.00 H +ATOM 9130 H2 WAT 2687 47.139 52.766 32.702 1.00 0.00 H +TER +ATOM 9131 O WAT 2688 50.177 51.481 17.528 1.00 0.00 O +ATOM 9132 H1 WAT 2688 49.891 51.067 16.713 1.00 0.00 H +ATOM 9133 H2 WAT 2688 49.979 52.410 17.408 1.00 0.00 H +TER +ATOM 9134 O WAT 2689 41.642 47.474 15.969 1.00 0.00 O +ATOM 9135 H1 WAT 2689 41.537 46.860 16.695 1.00 0.00 H +ATOM 9136 H2 WAT 2689 41.474 46.951 15.185 1.00 0.00 H +TER +ATOM 9137 O WAT 2690 41.793 46.160 31.947 1.00 0.00 O +ATOM 9138 H1 WAT 2690 41.028 46.728 31.863 1.00 0.00 H +ATOM 9139 H2 WAT 2690 41.975 45.868 31.054 1.00 0.00 H +TER +ATOM 9140 O WAT 2691 44.882 46.536 16.573 1.00 0.00 O +ATOM 9141 H1 WAT 2691 44.333 46.983 17.217 1.00 0.00 H +ATOM 9142 H2 WAT 2691 45.504 46.031 17.096 1.00 0.00 H +TER +ATOM 9143 O WAT 2692 48.936 47.891 32.505 1.00 0.00 O +ATOM 9144 H1 WAT 2692 49.677 48.228 32.002 1.00 0.00 H +ATOM 9145 H2 WAT 2692 48.173 48.060 31.952 1.00 0.00 H +TER +ATOM 9146 O WAT 2693 40.550 45.495 18.469 1.00 0.00 O +ATOM 9147 H1 WAT 2693 40.971 45.329 19.312 1.00 0.00 H +ATOM 9148 H2 WAT 2693 40.675 44.685 17.975 1.00 0.00 H +TER +ATOM 9149 O WAT 2694 43.063 44.519 15.717 1.00 0.00 O +ATOM 9150 H1 WAT 2694 43.583 43.804 15.351 1.00 0.00 H +ATOM 9151 H2 WAT 2694 43.709 45.158 16.017 1.00 0.00 H +TER +ATOM 9152 O WAT 2695 47.610 45.942 31.040 1.00 0.00 O +ATOM 9153 H1 WAT 2695 48.024 46.097 31.890 1.00 0.00 H +ATOM 9154 H2 WAT 2695 46.675 46.068 31.203 1.00 0.00 H +TER +ATOM 9155 O WAT 2696 42.372 45.894 29.010 1.00 0.00 O +ATOM 9156 H1 WAT 2696 42.791 46.737 28.838 1.00 0.00 H +ATOM 9157 H2 WAT 2696 41.453 46.031 28.781 1.00 0.00 H +TER +ATOM 9158 O WAT 2697 44.708 43.626 30.394 1.00 0.00 O +ATOM 9159 H1 WAT 2697 44.828 43.030 31.133 1.00 0.00 H +ATOM 9160 H2 WAT 2697 45.568 43.663 29.974 1.00 0.00 H +TER +ATOM 9161 O WAT 2698 47.047 44.179 28.970 1.00 0.00 O +ATOM 9162 H1 WAT 2698 46.521 44.704 28.367 1.00 0.00 H +ATOM 9163 H2 WAT 2698 47.390 44.812 29.601 1.00 0.00 H +TER +ATOM 9164 O WAT 2699 39.446 41.569 15.415 1.00 0.00 O +ATOM 9165 H1 WAT 2699 39.245 40.705 15.776 1.00 0.00 H +ATOM 9166 H2 WAT 2699 39.275 41.482 14.477 1.00 0.00 H +TER +ATOM 9167 O WAT 2700 40.223 52.199 30.126 1.00 0.00 O +ATOM 9168 H1 WAT 2700 39.685 52.924 29.807 1.00 0.00 H +ATOM 9169 H2 WAT 2700 40.476 51.722 29.336 1.00 0.00 H +TER +ATOM 9170 O WAT 2701 43.079 53.434 30.385 1.00 0.00 O +ATOM 9171 H1 WAT 2701 43.005 54.338 30.692 1.00 0.00 H +ATOM 9172 H2 WAT 2701 42.177 53.116 30.357 1.00 0.00 H +TER +ATOM 9173 O WAT 2702 43.627 52.600 18.007 1.00 0.00 O +ATOM 9174 H1 WAT 2702 44.522 52.939 18.029 1.00 0.00 H +ATOM 9175 H2 WAT 2702 43.659 51.878 17.380 1.00 0.00 H +TER +ATOM 9176 O WAT 2703 37.267 47.973 16.236 1.00 0.00 O +ATOM 9177 H1 WAT 2703 37.704 48.516 16.892 1.00 0.00 H +ATOM 9178 H2 WAT 2703 37.752 47.148 16.245 1.00 0.00 H +TER +ATOM 9179 O WAT 2704 34.482 50.762 23.688 1.00 0.00 O +ATOM 9180 H1 WAT 2704 34.812 49.894 23.456 1.00 0.00 H +ATOM 9181 H2 WAT 2704 34.911 50.968 24.518 1.00 0.00 H +TER +ATOM 9182 O WAT 2705 34.971 51.629 26.426 1.00 0.00 O +ATOM 9183 H1 WAT 2705 34.534 51.809 27.258 1.00 0.00 H +ATOM 9184 H2 WAT 2705 35.538 52.386 26.284 1.00 0.00 H +TER +ATOM 9185 O WAT 2706 50.607 51.131 30.714 1.00 0.00 O +ATOM 9186 H1 WAT 2706 50.007 51.190 29.970 1.00 0.00 H +ATOM 9187 H2 WAT 2706 50.736 50.191 30.843 1.00 0.00 H +TER +ATOM 9188 O WAT 2707 51.847 48.872 16.051 1.00 0.00 O +ATOM 9189 H1 WAT 2707 51.016 48.940 16.521 1.00 0.00 H +ATOM 9190 H2 WAT 2707 52.024 49.763 15.747 1.00 0.00 H +TER +ATOM 9191 O WAT 2708 51.303 45.617 18.554 1.00 0.00 O +ATOM 9192 H1 WAT 2708 52.065 46.187 18.660 1.00 0.00 H +ATOM 9193 H2 WAT 2708 51.318 45.050 19.325 1.00 0.00 H +TER +ATOM 9194 O WAT 2709 52.309 46.472 23.398 1.00 0.00 O +ATOM 9195 H1 WAT 2709 52.679 45.689 22.992 1.00 0.00 H +ATOM 9196 H2 WAT 2709 52.949 47.161 23.220 1.00 0.00 H +TER +ATOM 9197 O WAT 2710 49.292 47.856 28.811 1.00 0.00 O +ATOM 9198 H1 WAT 2710 48.478 48.286 29.074 1.00 0.00 H +ATOM 9199 H2 WAT 2710 49.699 48.468 28.198 1.00 0.00 H +TER +ATOM 9200 O WAT 2711 51.355 45.911 15.711 1.00 0.00 O +ATOM 9201 H1 WAT 2711 51.629 46.819 15.583 1.00 0.00 H +ATOM 9202 H2 WAT 2711 51.166 45.847 16.648 1.00 0.00 H +TER +ATOM 9203 O WAT 2712 51.251 43.848 20.704 1.00 0.00 O +ATOM 9204 H1 WAT 2712 50.875 43.080 20.272 1.00 0.00 H +ATOM 9205 H2 WAT 2712 50.521 44.230 21.192 1.00 0.00 H +TER +ATOM 9206 O WAT 2713 50.641 42.995 30.338 1.00 0.00 O +ATOM 9207 H1 WAT 2713 50.410 42.766 29.438 1.00 0.00 H +ATOM 9208 H2 WAT 2713 50.901 43.915 30.293 1.00 0.00 H +TER +ATOM 9209 O WAT 2714 50.526 42.073 24.005 1.00 0.00 O +ATOM 9210 H1 WAT 2714 51.050 41.580 23.374 1.00 0.00 H +ATOM 9211 H2 WAT 2714 51.112 42.208 24.750 1.00 0.00 H +TER +ATOM 9212 O WAT 2715 50.705 42.157 27.527 1.00 0.00 O +ATOM 9213 H1 WAT 2715 49.755 42.124 27.642 1.00 0.00 H +ATOM 9214 H2 WAT 2715 50.886 43.067 27.292 1.00 0.00 H +TER +ATOM 9215 O WAT 2716 52.334 37.798 15.719 1.00 0.00 O +ATOM 9216 H1 WAT 2716 53.259 37.666 15.511 1.00 0.00 H +ATOM 9217 H2 WAT 2716 52.311 37.877 16.672 1.00 0.00 H +TER +ATOM 9218 O WAT 2717 49.350 52.608 22.338 1.00 0.00 O +ATOM 9219 H1 WAT 2717 49.945 52.286 21.662 1.00 0.00 H +ATOM 9220 H2 WAT 2717 49.607 52.135 23.130 1.00 0.00 H +TER +ATOM 9221 O WAT 2718 40.956 50.595 28.088 1.00 0.00 O +ATOM 9222 H1 WAT 2718 40.716 50.863 27.201 1.00 0.00 H +ATOM 9223 H2 WAT 2718 41.897 50.766 28.143 1.00 0.00 H +TER +ATOM 9224 O WAT 2719 52.217 52.615 28.889 1.00 0.00 O +ATOM 9225 H1 WAT 2719 51.723 53.012 28.172 1.00 0.00 H +ATOM 9226 H2 WAT 2719 51.608 51.990 29.283 1.00 0.00 H +TER +ATOM 9227 O WAT 2720 37.095 51.986 29.607 1.00 0.00 O +ATOM 9228 H1 WAT 2720 36.501 51.854 30.346 1.00 0.00 H +ATOM 9229 H2 WAT 2720 37.087 51.150 29.141 1.00 0.00 H +TER +ATOM 9230 O WAT 2721 49.901 53.257 26.168 1.00 0.00 O +ATOM 9231 H1 WAT 2721 49.441 54.009 25.794 1.00 0.00 H +ATOM 9232 H2 WAT 2721 49.272 52.538 26.109 1.00 0.00 H +TER +ATOM 9233 O WAT 2722 36.726 49.352 28.558 1.00 0.00 O +ATOM 9234 H1 WAT 2722 35.999 48.732 28.490 1.00 0.00 H +ATOM 9235 H2 WAT 2722 36.787 49.746 27.688 1.00 0.00 H +TER +ATOM 9236 O WAT 2723 40.330 51.566 25.343 1.00 0.00 O +ATOM 9237 H1 WAT 2723 40.847 50.955 24.818 1.00 0.00 H +ATOM 9238 H2 WAT 2723 40.980 52.069 25.834 1.00 0.00 H +TER +ATOM 9239 O WAT 2724 43.070 52.457 26.170 1.00 0.00 O +ATOM 9240 H1 WAT 2724 43.358 52.202 25.293 1.00 0.00 H +ATOM 9241 H2 WAT 2724 43.582 51.905 26.760 1.00 0.00 H +TER +ATOM 9242 O WAT 2725 35.009 52.669 21.768 1.00 0.00 O +ATOM 9243 H1 WAT 2725 34.841 52.036 22.466 1.00 0.00 H +ATOM 9244 H2 WAT 2725 34.142 52.875 21.417 1.00 0.00 H +TER +ATOM 9245 O WAT 2726 36.615 51.362 19.213 1.00 0.00 O +ATOM 9246 H1 WAT 2726 36.090 51.743 18.509 1.00 0.00 H +ATOM 9247 H2 WAT 2726 36.540 51.987 19.934 1.00 0.00 H +TER +ATOM 9248 O WAT 2727 43.137 53.379 33.537 1.00 0.00 O +ATOM 9249 H1 WAT 2727 44.064 53.143 33.580 1.00 0.00 H +ATOM 9250 H2 WAT 2727 43.122 54.206 33.055 1.00 0.00 H +TER +ATOM 9251 O WAT 2728 51.372 52.921 20.534 1.00 0.00 O +ATOM 9252 H1 WAT 2728 51.547 52.235 19.890 1.00 0.00 H +ATOM 9253 H2 WAT 2728 50.674 53.446 20.142 1.00 0.00 H +TER +ATOM 9254 O WAT 2729 39.214 53.311 18.087 1.00 0.00 O +ATOM 9255 H1 WAT 2729 39.946 53.027 17.540 1.00 0.00 H +ATOM 9256 H2 WAT 2729 39.474 53.072 18.977 1.00 0.00 H +TER +ATOM 9257 O WAT 2730 38.376 49.427 18.092 1.00 0.00 O +ATOM 9258 H1 WAT 2730 37.747 49.896 18.641 1.00 0.00 H +ATOM 9259 H2 WAT 2730 38.491 48.582 18.527 1.00 0.00 H +TER +ATOM 9260 O WAT 2731 49.705 52.606 33.361 1.00 0.00 O +ATOM 9261 H1 WAT 2731 50.497 52.110 33.153 1.00 0.00 H +ATOM 9262 H2 WAT 2731 49.998 53.285 33.968 1.00 0.00 H +TER +ATOM 9263 O WAT 2732 45.831 43.478 4.242 1.00 0.00 O +ATOM 9264 H1 WAT 2732 45.750 42.563 3.971 1.00 0.00 H +ATOM 9265 H2 WAT 2732 45.417 43.974 3.536 1.00 0.00 H +TER +ATOM 9266 O WAT 2733 43.963 45.256 6.123 1.00 0.00 O +ATOM 9267 H1 WAT 2733 43.187 44.776 6.413 1.00 0.00 H +ATOM 9268 H2 WAT 2733 44.614 44.576 5.949 1.00 0.00 H +TER +ATOM 9269 O WAT 2734 37.979 45.568 7.001 1.00 0.00 O +ATOM 9270 H1 WAT 2734 37.148 45.312 7.400 1.00 0.00 H +ATOM 9271 H2 WAT 2734 38.587 45.639 7.737 1.00 0.00 H +TER +ATOM 9272 O WAT 2735 47.983 49.662 4.903 1.00 0.00 O +ATOM 9273 H1 WAT 2735 47.522 48.890 5.232 1.00 0.00 H +ATOM 9274 H2 WAT 2735 48.796 49.688 5.408 1.00 0.00 H +TER +ATOM 9275 O WAT 2736 37.959 49.602 7.197 1.00 0.00 O +ATOM 9276 H1 WAT 2736 38.262 48.711 7.018 1.00 0.00 H +ATOM 9277 H2 WAT 2736 38.704 50.159 6.969 1.00 0.00 H +TER +ATOM 9278 O WAT 2737 34.352 43.128 6.669 1.00 0.00 O +ATOM 9279 H1 WAT 2737 34.923 42.360 6.669 1.00 0.00 H +ATOM 9280 H2 WAT 2737 34.352 43.427 5.760 1.00 0.00 H +TER +ATOM 9281 O WAT 2738 44.210 51.947 4.523 1.00 0.00 O +ATOM 9282 H1 WAT 2738 43.591 52.403 3.953 1.00 0.00 H +ATOM 9283 H2 WAT 2738 45.065 52.103 4.122 1.00 0.00 H +TER +ATOM 9284 O WAT 2739 43.404 47.931 6.130 1.00 0.00 O +ATOM 9285 H1 WAT 2739 43.334 46.990 5.969 1.00 0.00 H +ATOM 9286 H2 WAT 2739 44.166 48.021 6.702 1.00 0.00 H +TER +ATOM 9287 O WAT 2740 35.594 38.537 8.456 1.00 0.00 O +ATOM 9288 H1 WAT 2740 35.415 37.639 8.736 1.00 0.00 H +ATOM 9289 H2 WAT 2740 35.192 39.084 9.131 1.00 0.00 H +TER +ATOM 9290 O WAT 2741 44.434 40.738 6.357 1.00 0.00 O +ATOM 9291 H1 WAT 2741 44.811 39.865 6.244 1.00 0.00 H +ATOM 9292 H2 WAT 2741 44.336 41.074 5.466 1.00 0.00 H +TER +ATOM 9293 O WAT 2742 48.217 38.233 3.290 1.00 0.00 O +ATOM 9294 H1 WAT 2742 49.037 37.743 3.332 1.00 0.00 H +ATOM 9295 H2 WAT 2742 48.250 38.823 4.043 1.00 0.00 H +TER +ATOM 9296 O WAT 2743 36.213 41.033 7.064 1.00 0.00 O +ATOM 9297 H1 WAT 2743 36.894 41.297 7.683 1.00 0.00 H +ATOM 9298 H2 WAT 2743 35.898 40.193 7.398 1.00 0.00 H +TER +ATOM 9299 O WAT 2744 40.405 42.079 6.151 1.00 0.00 O +ATOM 9300 H1 WAT 2744 40.913 42.578 6.792 1.00 0.00 H +ATOM 9301 H2 WAT 2744 40.937 41.303 5.975 1.00 0.00 H +TER +ATOM 9302 O WAT 2745 52.506 40.250 9.854 1.00 0.00 O +ATOM 9303 H1 WAT 2745 51.802 40.638 9.336 1.00 0.00 H +ATOM 9304 H2 WAT 2745 52.772 40.945 10.456 1.00 0.00 H +TER +ATOM 9305 O WAT 2746 38.689 36.719 10.418 1.00 0.00 O +ATOM 9306 H1 WAT 2746 38.691 37.237 9.612 1.00 0.00 H +ATOM 9307 H2 WAT 2746 37.859 36.242 10.395 1.00 0.00 H +TER +ATOM 9308 O WAT 2747 39.939 46.359 8.595 1.00 0.00 O +ATOM 9309 H1 WAT 2747 39.606 46.986 9.237 1.00 0.00 H +ATOM 9310 H2 WAT 2747 40.116 46.885 7.815 1.00 0.00 H +TER +ATOM 9311 O WAT 2748 48.453 40.173 6.063 1.00 0.00 O +ATOM 9312 H1 WAT 2748 47.748 40.462 6.643 1.00 0.00 H +ATOM 9313 H2 WAT 2748 48.814 40.983 5.703 1.00 0.00 H +TER +ATOM 9314 O WAT 2749 38.371 38.430 8.425 1.00 0.00 O +ATOM 9315 H1 WAT 2749 38.712 39.275 8.130 1.00 0.00 H +ATOM 9316 H2 WAT 2749 37.432 38.579 8.541 1.00 0.00 H +TER +ATOM 9317 O WAT 2750 39.151 48.327 10.410 1.00 0.00 O +ATOM 9318 H1 WAT 2750 39.769 49.002 10.128 1.00 0.00 H +ATOM 9319 H2 WAT 2750 38.291 48.736 10.319 1.00 0.00 H +TER +ATOM 9320 O WAT 2751 50.069 49.791 8.325 1.00 0.00 O +ATOM 9321 H1 WAT 2751 49.385 50.461 8.317 1.00 0.00 H +ATOM 9322 H2 WAT 2751 50.608 49.989 7.560 1.00 0.00 H +TER +ATOM 9323 O WAT 2752 51.521 39.619 6.454 1.00 0.00 O +ATOM 9324 H1 WAT 2752 50.574 39.653 6.585 1.00 0.00 H +ATOM 9325 H2 WAT 2752 51.846 40.433 6.838 1.00 0.00 H +TER +ATOM 9326 O WAT 2753 42.053 35.919 4.749 1.00 0.00 O +ATOM 9327 H1 WAT 2753 42.361 35.363 4.033 1.00 0.00 H +ATOM 9328 H2 WAT 2753 41.123 36.053 4.566 1.00 0.00 H +TER +ATOM 9329 O WAT 2754 47.605 51.635 7.040 1.00 0.00 O +ATOM 9330 H1 WAT 2754 47.618 51.232 6.172 1.00 0.00 H +ATOM 9331 H2 WAT 2754 47.052 52.410 6.936 1.00 0.00 H +TER +ATOM 9332 O WAT 2755 48.899 48.357 2.129 1.00 0.00 O +ATOM 9333 H1 WAT 2755 48.789 47.414 2.254 1.00 0.00 H +ATOM 9334 H2 WAT 2755 48.896 48.718 3.015 1.00 0.00 H +TER +ATOM 9335 O WAT 2756 47.003 46.538 8.368 1.00 0.00 O +ATOM 9336 H1 WAT 2756 47.420 46.324 7.534 1.00 0.00 H +ATOM 9337 H2 WAT 2756 47.727 46.796 8.939 1.00 0.00 H +TER +ATOM 9338 O WAT 2757 50.950 44.937 8.460 1.00 0.00 O +ATOM 9339 H1 WAT 2757 50.121 45.006 7.985 1.00 0.00 H +ATOM 9340 H2 WAT 2757 51.545 45.522 7.991 1.00 0.00 H +TER +ATOM 9341 O WAT 2758 47.914 41.724 9.405 1.00 0.00 O +ATOM 9342 H1 WAT 2758 47.501 42.549 9.659 1.00 0.00 H +ATOM 9343 H2 WAT 2758 47.181 41.138 9.213 1.00 0.00 H +TER +ATOM 9344 O WAT 2759 40.047 44.510 4.267 1.00 0.00 O +ATOM 9345 H1 WAT 2759 39.643 43.798 3.772 1.00 0.00 H +ATOM 9346 H2 WAT 2759 40.133 44.165 5.156 1.00 0.00 H +TER +ATOM 9347 O WAT 2760 40.515 48.197 6.431 1.00 0.00 O +ATOM 9348 H1 WAT 2760 40.218 47.591 5.752 1.00 0.00 H +ATOM 9349 H2 WAT 2760 41.465 48.234 6.320 1.00 0.00 H +TER +ATOM 9350 O WAT 2761 38.760 41.284 8.047 1.00 0.00 O +ATOM 9351 H1 WAT 2761 39.311 41.394 7.272 1.00 0.00 H +ATOM 9352 H2 WAT 2761 39.274 41.658 8.763 1.00 0.00 H +TER +ATOM 9353 O WAT 2762 48.604 51.770 10.093 1.00 0.00 O +ATOM 9354 H1 WAT 2762 48.127 52.577 9.901 1.00 0.00 H +ATOM 9355 H2 WAT 2762 47.920 51.118 10.246 1.00 0.00 H +TER +ATOM 9356 O WAT 2763 39.607 47.935 13.082 1.00 0.00 O +ATOM 9357 H1 WAT 2763 38.710 48.159 13.329 1.00 0.00 H +ATOM 9358 H2 WAT 2763 39.632 48.058 12.133 1.00 0.00 H +TER +ATOM 9359 O WAT 2764 38.434 44.806 11.658 1.00 0.00 O +ATOM 9360 H1 WAT 2764 38.295 45.678 12.026 1.00 0.00 H +ATOM 9361 H2 WAT 2764 37.552 44.463 11.512 1.00 0.00 H +TER +ATOM 9362 O WAT 2765 44.757 49.724 2.964 1.00 0.00 O +ATOM 9363 H1 WAT 2765 45.197 50.466 2.550 1.00 0.00 H +ATOM 9364 H2 WAT 2765 44.696 49.966 3.888 1.00 0.00 H +TER +ATOM 9365 O WAT 2766 40.232 50.748 13.866 1.00 0.00 O +ATOM 9366 H1 WAT 2766 40.204 51.153 12.999 1.00 0.00 H +ATOM 9367 H2 WAT 2766 40.069 49.819 13.703 1.00 0.00 H +TER +ATOM 9368 O WAT 2767 52.184 51.531 15.163 1.00 0.00 O +ATOM 9369 H1 WAT 2767 52.660 52.009 15.841 1.00 0.00 H +ATOM 9370 H2 WAT 2767 52.804 51.463 14.437 1.00 0.00 H +TER +ATOM 9371 O WAT 2768 34.386 46.576 7.575 1.00 0.00 O +ATOM 9372 H1 WAT 2768 34.464 46.711 6.630 1.00 0.00 H +ATOM 9373 H2 WAT 2768 35.000 45.868 7.767 1.00 0.00 H +TER +ATOM 9374 O WAT 2769 35.631 48.276 3.985 1.00 0.00 O +ATOM 9375 H1 WAT 2769 35.224 48.417 3.131 1.00 0.00 H +ATOM 9376 H2 WAT 2769 36.522 47.992 3.782 1.00 0.00 H +TER +ATOM 9377 O WAT 2770 51.587 48.722 12.323 1.00 0.00 O +ATOM 9378 H1 WAT 2770 51.713 48.484 11.404 1.00 0.00 H +ATOM 9379 H2 WAT 2770 51.629 47.891 12.795 1.00 0.00 H +TER +ATOM 9380 O WAT 2771 45.449 52.425 10.892 1.00 0.00 O +ATOM 9381 H1 WAT 2771 45.963 52.336 11.694 1.00 0.00 H +ATOM 9382 H2 WAT 2771 44.606 52.771 11.185 1.00 0.00 H +TER +ATOM 9383 O WAT 2772 46.692 51.846 2.955 1.00 0.00 O +ATOM 9384 H1 WAT 2772 47.147 51.065 3.269 1.00 0.00 H +ATOM 9385 H2 WAT 2772 47.031 52.556 3.499 1.00 0.00 H +TER +ATOM 9386 O WAT 2773 51.439 40.776 13.287 1.00 0.00 O +ATOM 9387 H1 WAT 2773 50.824 41.284 12.759 1.00 0.00 H +ATOM 9388 H2 WAT 2773 51.119 39.875 13.230 1.00 0.00 H +TER +ATOM 9389 O WAT 2774 34.442 47.617 10.114 1.00 0.00 O +ATOM 9390 H1 WAT 2774 34.605 47.148 9.296 1.00 0.00 H +ATOM 9391 H2 WAT 2774 34.907 47.110 10.779 1.00 0.00 H +TER +ATOM 9392 O WAT 2775 39.214 36.748 5.150 1.00 0.00 O +ATOM 9393 H1 WAT 2775 38.771 37.529 4.819 1.00 0.00 H +ATOM 9394 H2 WAT 2775 39.772 37.071 5.857 1.00 0.00 H +TER +ATOM 9395 O WAT 2776 43.501 39.615 10.754 1.00 0.00 O +ATOM 9396 H1 WAT 2776 43.039 39.823 11.566 1.00 0.00 H +ATOM 9397 H2 WAT 2776 43.099 38.801 10.451 1.00 0.00 H +TER +ATOM 9398 O WAT 2777 48.501 40.836 11.883 1.00 0.00 O +ATOM 9399 H1 WAT 2777 47.651 40.536 12.204 1.00 0.00 H +ATOM 9400 H2 WAT 2777 48.341 41.080 10.972 1.00 0.00 H +TER +ATOM 9401 O WAT 2778 45.596 42.336 13.983 1.00 0.00 O +ATOM 9402 H1 WAT 2778 45.922 41.502 13.643 1.00 0.00 H +ATOM 9403 H2 WAT 2778 46.384 42.859 14.131 1.00 0.00 H +TER +ATOM 9404 O WAT 2779 41.251 37.293 7.009 1.00 0.00 O +ATOM 9405 H1 WAT 2779 41.549 38.199 6.928 1.00 0.00 H +ATOM 9406 H2 WAT 2779 41.800 36.805 6.395 1.00 0.00 H +TER +ATOM 9407 O WAT 2780 39.005 41.871 2.878 1.00 0.00 O +ATOM 9408 H1 WAT 2780 38.779 41.655 3.783 1.00 0.00 H +ATOM 9409 H2 WAT 2780 38.225 42.304 2.533 1.00 0.00 H +TER +ATOM 9410 O WAT 2781 41.445 42.770 13.544 1.00 0.00 O +ATOM 9411 H1 WAT 2781 41.350 41.829 13.394 1.00 0.00 H +ATOM 9412 H2 WAT 2781 42.288 42.991 13.149 1.00 0.00 H +TER +ATOM 9413 O WAT 2782 44.842 40.514 3.508 1.00 0.00 O +ATOM 9414 H1 WAT 2782 45.235 40.831 2.695 1.00 0.00 H +ATOM 9415 H2 WAT 2782 45.203 39.635 3.622 1.00 0.00 H +TER +ATOM 9416 O WAT 2783 36.576 39.181 11.698 1.00 0.00 O +ATOM 9417 H1 WAT 2783 36.183 40.029 11.905 1.00 0.00 H +ATOM 9418 H2 WAT 2783 35.888 38.544 11.889 1.00 0.00 H +TER +ATOM 9419 O WAT 2784 43.151 39.265 14.767 1.00 0.00 O +ATOM 9420 H1 WAT 2784 42.461 39.072 15.402 1.00 0.00 H +ATOM 9421 H2 WAT 2784 43.894 39.548 15.300 1.00 0.00 H +TER +ATOM 9422 O WAT 2785 33.878 37.104 5.731 1.00 0.00 O +ATOM 9423 H1 WAT 2785 33.589 37.674 6.443 1.00 0.00 H +ATOM 9424 H2 WAT 2785 34.623 36.625 6.094 1.00 0.00 H +TER +ATOM 9425 O WAT 2786 45.427 43.105 7.603 1.00 0.00 O +ATOM 9426 H1 WAT 2786 44.695 43.613 7.952 1.00 0.00 H +ATOM 9427 H2 WAT 2786 45.030 42.288 7.302 1.00 0.00 H +TER +ATOM 9428 O WAT 2787 41.865 39.780 6.008 1.00 0.00 O +ATOM 9429 H1 WAT 2787 41.868 39.339 5.158 1.00 0.00 H +ATOM 9430 H2 WAT 2787 42.760 40.102 6.115 1.00 0.00 H +TER +ATOM 9431 O WAT 2788 37.715 39.663 4.967 1.00 0.00 O +ATOM 9432 H1 WAT 2788 37.375 40.140 5.724 1.00 0.00 H +ATOM 9433 H2 WAT 2788 36.953 39.209 4.608 1.00 0.00 H +TER +ATOM 9434 O WAT 2789 45.890 38.558 7.015 1.00 0.00 O +ATOM 9435 H1 WAT 2789 45.907 39.009 7.859 1.00 0.00 H +ATOM 9436 H2 WAT 2789 45.641 37.658 7.228 1.00 0.00 H +TER +ATOM 9437 O WAT 2790 49.317 35.971 12.854 1.00 0.00 O +ATOM 9438 H1 WAT 2790 49.641 35.240 13.380 1.00 0.00 H +ATOM 9439 H2 WAT 2790 49.352 35.653 11.952 1.00 0.00 H +TER +ATOM 9440 O WAT 2791 36.016 46.993 12.274 1.00 0.00 O +ATOM 9441 H1 WAT 2791 35.631 46.352 12.872 1.00 0.00 H +ATOM 9442 H2 WAT 2791 36.327 47.696 12.843 1.00 0.00 H +TER +ATOM 9443 O WAT 2792 42.166 43.840 7.755 1.00 0.00 O +ATOM 9444 H1 WAT 2792 42.533 43.366 8.501 1.00 0.00 H +ATOM 9445 H2 WAT 2792 41.976 44.714 8.095 1.00 0.00 H +TER +ATOM 9446 O WAT 2793 35.030 38.585 3.884 1.00 0.00 O +ATOM 9447 H1 WAT 2793 34.744 38.220 4.722 1.00 0.00 H +ATOM 9448 H2 WAT 2793 34.968 37.853 3.270 1.00 0.00 H +TER +ATOM 9449 O WAT 2794 39.956 42.881 10.073 1.00 0.00 O +ATOM 9450 H1 WAT 2794 39.651 43.760 10.298 1.00 0.00 H +ATOM 9451 H2 WAT 2794 40.910 42.941 10.109 1.00 0.00 H +TER +ATOM 9452 O WAT 2795 49.243 46.084 6.462 1.00 0.00 O +ATOM 9453 H1 WAT 2795 49.962 46.579 6.072 1.00 0.00 H +ATOM 9454 H2 WAT 2795 49.041 45.405 5.818 1.00 0.00 H +TER +ATOM 9455 O WAT 2796 44.624 46.155 12.349 1.00 0.00 O +ATOM 9456 H1 WAT 2796 44.558 45.234 12.095 1.00 0.00 H +ATOM 9457 H2 WAT 2796 43.995 46.252 13.064 1.00 0.00 H +TER +ATOM 9458 O WAT 2797 38.527 46.755 4.308 1.00 0.00 O +ATOM 9459 H1 WAT 2797 39.045 45.952 4.253 1.00 0.00 H +ATOM 9460 H2 WAT 2797 38.076 46.693 5.149 1.00 0.00 H +TER +ATOM 9461 O WAT 2798 36.012 43.721 11.220 1.00 0.00 O +ATOM 9462 H1 WAT 2798 35.653 44.387 11.807 1.00 0.00 H +ATOM 9463 H2 WAT 2798 35.717 42.890 11.591 1.00 0.00 H +TER +ATOM 9464 O WAT 2799 39.213 44.180 14.104 1.00 0.00 O +ATOM 9465 H1 WAT 2799 38.913 44.325 13.207 1.00 0.00 H +ATOM 9466 H2 WAT 2799 39.984 43.620 14.011 1.00 0.00 H +TER +ATOM 9467 O WAT 2800 44.556 48.977 12.100 1.00 0.00 O +ATOM 9468 H1 WAT 2800 44.571 48.045 11.881 1.00 0.00 H +ATOM 9469 H2 WAT 2800 43.849 49.063 12.739 1.00 0.00 H +TER +ATOM 9470 O WAT 2801 50.767 45.617 11.446 1.00 0.00 O +ATOM 9471 H1 WAT 2801 50.042 46.210 11.249 1.00 0.00 H +ATOM 9472 H2 WAT 2801 51.295 45.610 10.648 1.00 0.00 H +TER +ATOM 9473 O WAT 2802 46.297 47.343 4.945 1.00 0.00 O +ATOM 9474 H1 WAT 2802 46.650 46.746 4.285 1.00 0.00 H +ATOM 9475 H2 WAT 2802 45.413 47.018 5.116 1.00 0.00 H +TER +ATOM 9476 O WAT 2803 42.383 48.103 2.352 1.00 0.00 O +ATOM 9477 H1 WAT 2803 43.071 48.650 2.733 1.00 0.00 H +ATOM 9478 H2 WAT 2803 41.597 48.647 2.387 1.00 0.00 H +TER +ATOM 9479 O WAT 2804 43.989 50.618 9.194 1.00 0.00 O +ATOM 9480 H1 WAT 2804 44.634 50.824 9.871 1.00 0.00 H +ATOM 9481 H2 WAT 2804 44.352 49.857 8.741 1.00 0.00 H +TER +ATOM 9482 O WAT 2805 37.587 35.452 2.437 1.00 0.00 O +ATOM 9483 H1 WAT 2805 37.459 35.443 3.385 1.00 0.00 H +ATOM 9484 H2 WAT 2805 36.764 35.790 2.086 1.00 0.00 H +TER +ATOM 9485 O WAT 2806 45.263 48.622 7.911 1.00 0.00 O +ATOM 9486 H1 WAT 2806 45.905 47.921 8.025 1.00 0.00 H +ATOM 9487 H2 WAT 2806 45.788 49.401 7.731 1.00 0.00 H +TER +ATOM 9488 O WAT 2807 47.036 49.421 11.115 1.00 0.00 O +ATOM 9489 H1 WAT 2807 47.372 50.008 11.793 1.00 0.00 H +ATOM 9490 H2 WAT 2807 46.116 49.290 11.345 1.00 0.00 H +TER +ATOM 9491 O WAT 2808 34.587 37.211 11.897 1.00 0.00 O +ATOM 9492 H1 WAT 2808 33.873 37.410 12.503 1.00 0.00 H +ATOM 9493 H2 WAT 2808 35.006 36.435 12.269 1.00 0.00 H +TER +ATOM 9494 O WAT 2809 34.874 51.199 12.884 1.00 0.00 O +ATOM 9495 H1 WAT 2809 34.983 50.258 12.744 1.00 0.00 H +ATOM 9496 H2 WAT 2809 34.222 51.464 12.235 1.00 0.00 H +TER +ATOM 9497 O WAT 2810 42.865 49.470 14.284 1.00 0.00 O +ATOM 9498 H1 WAT 2810 42.545 48.751 14.828 1.00 0.00 H +ATOM 9499 H2 WAT 2810 42.191 50.146 14.357 1.00 0.00 H +TER +ATOM 9500 O WAT 2811 46.081 39.703 9.647 1.00 0.00 O +ATOM 9501 H1 WAT 2811 46.449 38.882 9.975 1.00 0.00 H +ATOM 9502 H2 WAT 2811 45.220 39.763 10.063 1.00 0.00 H +TER +ATOM 9503 O WAT 2812 43.041 42.357 9.871 1.00 0.00 O +ATOM 9504 H1 WAT 2812 43.539 42.831 10.536 1.00 0.00 H +ATOM 9505 H2 WAT 2812 43.183 41.433 10.078 1.00 0.00 H +TER +ATOM 9506 O WAT 2813 45.447 37.662 3.312 1.00 0.00 O +ATOM 9507 H1 WAT 2813 45.324 37.681 2.363 1.00 0.00 H +ATOM 9508 H2 WAT 2813 46.395 37.710 3.431 1.00 0.00 H +TER +ATOM 9509 O WAT 2814 50.248 38.574 10.714 1.00 0.00 O +ATOM 9510 H1 WAT 2814 49.745 39.314 11.053 1.00 0.00 H +ATOM 9511 H2 WAT 2814 51.063 38.962 10.398 1.00 0.00 H +TER +ATOM 9512 O WAT 2815 48.540 43.817 4.160 1.00 0.00 O +ATOM 9513 H1 WAT 2815 47.599 43.832 4.335 1.00 0.00 H +ATOM 9514 H2 WAT 2815 48.854 43.031 4.606 1.00 0.00 H +TER +ATOM 9515 O WAT 2816 50.542 50.988 5.836 1.00 0.00 O +ATOM 9516 H1 WAT 2816 50.667 51.811 6.308 1.00 0.00 H +ATOM 9517 H2 WAT 2816 51.409 50.777 5.488 1.00 0.00 H +TER +ATOM 9518 O WAT 2817 38.014 53.081 5.507 1.00 0.00 O +ATOM 9519 H1 WAT 2817 38.750 52.532 5.778 1.00 0.00 H +ATOM 9520 H2 WAT 2817 38.398 53.947 5.368 1.00 0.00 H +TER +ATOM 9521 O WAT 2818 37.020 52.266 14.696 1.00 0.00 O +ATOM 9522 H1 WAT 2818 37.821 52.587 15.109 1.00 0.00 H +ATOM 9523 H2 WAT 2818 36.505 51.905 15.418 1.00 0.00 H +TER +ATOM 9524 O WAT 2819 45.856 48.374 14.643 1.00 0.00 O +ATOM 9525 H1 WAT 2819 45.250 48.397 13.903 1.00 0.00 H +ATOM 9526 H2 WAT 2819 45.552 47.642 15.180 1.00 0.00 H +TER +ATOM 9527 O WAT 2820 47.286 52.102 13.254 1.00 0.00 O +ATOM 9528 H1 WAT 2820 48.239 52.017 13.204 1.00 0.00 H +ATOM 9529 H2 WAT 2820 47.139 52.766 13.928 1.00 0.00 H +TER +ATOM 9530 O WAT 2821 34.740 44.753 13.640 1.00 0.00 O +ATOM 9531 H1 WAT 2821 35.244 44.174 14.211 1.00 0.00 H +ATOM 9532 H2 WAT 2821 34.000 45.037 14.177 1.00 0.00 H +TER +ATOM 9533 O WAT 2822 41.793 46.160 13.173 1.00 0.00 O +ATOM 9534 H1 WAT 2822 41.028 46.728 13.089 1.00 0.00 H +ATOM 9535 H2 WAT 2822 41.975 45.868 12.280 1.00 0.00 H +TER +ATOM 9536 O WAT 2823 48.936 47.891 13.731 1.00 0.00 O +ATOM 9537 H1 WAT 2823 49.677 48.228 13.227 1.00 0.00 H +ATOM 9538 H2 WAT 2823 48.173 48.060 13.178 1.00 0.00 H +TER +ATOM 9539 O WAT 2824 36.772 42.896 14.535 1.00 0.00 O +ATOM 9540 H1 WAT 2824 36.813 42.597 15.443 1.00 0.00 H +ATOM 9541 H2 WAT 2824 37.627 43.297 14.375 1.00 0.00 H +TER +ATOM 9542 O WAT 2825 38.713 41.475 12.502 1.00 0.00 O +ATOM 9543 H1 WAT 2825 38.182 40.984 11.874 1.00 0.00 H +ATOM 9544 H2 WAT 2825 39.381 41.903 11.968 1.00 0.00 H +TER +ATOM 9545 O WAT 2826 47.610 45.942 12.266 1.00 0.00 O +ATOM 9546 H1 WAT 2826 48.024 46.097 13.115 1.00 0.00 H +ATOM 9547 H2 WAT 2826 46.675 46.068 12.429 1.00 0.00 H +TER +ATOM 9548 O WAT 2827 48.083 43.282 14.270 1.00 0.00 O +ATOM 9549 H1 WAT 2827 48.665 42.527 14.182 1.00 0.00 H +ATOM 9550 H2 WAT 2827 48.259 43.812 13.493 1.00 0.00 H +TER +ATOM 9551 O WAT 2828 39.200 38.441 12.582 1.00 0.00 O +ATOM 9552 H1 WAT 2828 39.105 37.823 11.857 1.00 0.00 H +ATOM 9553 H2 WAT 2828 38.620 39.168 12.355 1.00 0.00 H +TER +ATOM 9554 O WAT 2829 41.966 36.999 9.614 1.00 0.00 O +ATOM 9555 H1 WAT 2829 41.518 37.021 8.769 1.00 0.00 H +ATOM 9556 H2 WAT 2829 41.332 36.601 10.212 1.00 0.00 H +TER +ATOM 9557 O WAT 2830 42.372 45.894 10.236 1.00 0.00 O +ATOM 9558 H1 WAT 2830 42.791 46.737 10.063 1.00 0.00 H +ATOM 9559 H2 WAT 2830 41.453 46.031 10.006 1.00 0.00 H +TER +ATOM 9560 O WAT 2831 44.708 43.626 11.620 1.00 0.00 O +ATOM 9561 H1 WAT 2831 44.828 43.030 12.359 1.00 0.00 H +ATOM 9562 H2 WAT 2831 45.568 43.663 11.200 1.00 0.00 H +TER +ATOM 9563 O WAT 2832 47.047 44.179 10.196 1.00 0.00 O +ATOM 9564 H1 WAT 2832 46.521 44.704 9.592 1.00 0.00 H +ATOM 9565 H2 WAT 2832 47.390 44.812 10.827 1.00 0.00 H +TER +ATOM 9566 O WAT 2833 40.223 52.199 11.351 1.00 0.00 O +ATOM 9567 H1 WAT 2833 39.685 52.924 11.032 1.00 0.00 H +ATOM 9568 H2 WAT 2833 40.476 51.722 10.561 1.00 0.00 H +TER +ATOM 9569 O WAT 2834 41.475 40.168 12.877 1.00 0.00 O +ATOM 9570 H1 WAT 2834 42.065 39.859 13.565 1.00 0.00 H +ATOM 9571 H2 WAT 2834 40.657 39.696 13.033 1.00 0.00 H +TER +ATOM 9572 O WAT 2835 46.295 39.784 13.110 1.00 0.00 O +ATOM 9573 H1 WAT 2835 45.606 39.123 13.045 1.00 0.00 H +ATOM 9574 H2 WAT 2835 47.015 39.338 13.555 1.00 0.00 H +TER +ATOM 9575 O WAT 2836 43.079 53.434 11.610 1.00 0.00 O +ATOM 9576 H1 WAT 2836 43.005 54.338 11.917 1.00 0.00 H +ATOM 9577 H2 WAT 2836 42.177 53.116 11.582 1.00 0.00 H +TER +ATOM 9578 O WAT 2837 34.482 50.762 4.914 1.00 0.00 O +ATOM 9579 H1 WAT 2837 34.812 49.894 4.681 1.00 0.00 H +ATOM 9580 H2 WAT 2837 34.911 50.968 5.744 1.00 0.00 H +TER +ATOM 9581 O WAT 2838 39.078 49.093 2.574 1.00 0.00 O +ATOM 9582 H1 WAT 2838 38.777 48.969 3.474 1.00 0.00 H +ATOM 9583 H2 WAT 2838 38.972 48.234 2.165 1.00 0.00 H +TER +ATOM 9584 O WAT 2839 34.971 51.629 7.652 1.00 0.00 O +ATOM 9585 H1 WAT 2839 34.534 51.809 8.484 1.00 0.00 H +ATOM 9586 H2 WAT 2839 35.538 52.386 7.510 1.00 0.00 H +TER +ATOM 9587 O WAT 2840 50.607 51.131 11.939 1.00 0.00 O +ATOM 9588 H1 WAT 2840 50.007 51.190 11.196 1.00 0.00 H +ATOM 9589 H2 WAT 2840 50.736 50.191 12.069 1.00 0.00 H +TER +ATOM 9590 O WAT 2841 34.803 44.141 4.011 1.00 0.00 O +ATOM 9591 H1 WAT 2841 34.148 43.872 3.367 1.00 0.00 H +ATOM 9592 H2 WAT 2841 35.641 44.031 3.561 1.00 0.00 H +TER +ATOM 9593 O WAT 2842 52.309 46.472 4.624 1.00 0.00 O +ATOM 9594 H1 WAT 2842 52.679 45.689 4.218 1.00 0.00 H +ATOM 9595 H2 WAT 2842 52.949 47.161 4.446 1.00 0.00 H +TER +ATOM 9596 O WAT 2843 49.292 47.856 10.037 1.00 0.00 O +ATOM 9597 H1 WAT 2843 48.478 48.286 10.300 1.00 0.00 H +ATOM 9598 H2 WAT 2843 49.699 48.468 9.424 1.00 0.00 H +TER +ATOM 9599 O WAT 2844 35.841 44.526 8.551 1.00 0.00 O +ATOM 9600 H1 WAT 2844 36.208 44.439 9.431 1.00 0.00 H +ATOM 9601 H2 WAT 2844 35.272 43.763 8.452 1.00 0.00 H +TER +ATOM 9602 O WAT 2845 50.641 42.995 11.564 1.00 0.00 O +ATOM 9603 H1 WAT 2845 50.410 42.766 10.664 1.00 0.00 H +ATOM 9604 H2 WAT 2845 50.901 43.915 11.518 1.00 0.00 H +TER +ATOM 9605 O WAT 2846 35.392 41.437 12.457 1.00 0.00 O +ATOM 9606 H1 WAT 2846 34.498 41.404 12.796 1.00 0.00 H +ATOM 9607 H2 WAT 2846 35.932 41.636 13.222 1.00 0.00 H +TER +ATOM 9608 O WAT 2847 49.080 38.220 14.342 1.00 0.00 O +ATOM 9609 H1 WAT 2847 49.957 38.229 14.725 1.00 0.00 H +ATOM 9610 H2 WAT 2847 49.092 37.483 13.731 1.00 0.00 H +TER +ATOM 9611 O WAT 2848 50.526 42.073 5.231 1.00 0.00 O +ATOM 9612 H1 WAT 2848 51.050 41.580 4.600 1.00 0.00 H +ATOM 9613 H2 WAT 2848 51.112 42.208 5.975 1.00 0.00 H +TER +ATOM 9614 O WAT 2849 50.705 42.157 8.753 1.00 0.00 O +ATOM 9615 H1 WAT 2849 49.755 42.124 8.867 1.00 0.00 H +ATOM 9616 H2 WAT 2849 50.886 43.067 8.518 1.00 0.00 H +TER +ATOM 9617 O WAT 2850 35.896 35.712 6.805 1.00 0.00 O +ATOM 9618 H1 WAT 2850 36.544 35.162 6.365 1.00 0.00 H +ATOM 9619 H2 WAT 2850 36.316 35.966 7.627 1.00 0.00 H +TER +ATOM 9620 O WAT 2851 51.445 39.967 3.704 1.00 0.00 O +ATOM 9621 H1 WAT 2851 51.335 39.812 4.642 1.00 0.00 H +ATOM 9622 H2 WAT 2851 52.206 39.439 3.461 1.00 0.00 H +TER +ATOM 9623 O WAT 2852 49.791 35.906 10.162 1.00 0.00 O +ATOM 9624 H1 WAT 2852 50.429 36.520 10.528 1.00 0.00 H +ATOM 9625 H2 WAT 2852 49.939 35.942 9.217 1.00 0.00 H +TER +ATOM 9626 O WAT 2853 49.350 52.608 3.564 1.00 0.00 O +ATOM 9627 H1 WAT 2853 49.945 52.286 2.887 1.00 0.00 H +ATOM 9628 H2 WAT 2853 49.607 52.135 4.355 1.00 0.00 H +TER +ATOM 9629 O WAT 2854 35.649 35.868 9.548 1.00 0.00 O +ATOM 9630 H1 WAT 2854 35.301 36.324 10.313 1.00 0.00 H +ATOM 9631 H2 WAT 2854 35.318 34.973 9.630 1.00 0.00 H +TER +ATOM 9632 O WAT 2855 37.256 49.040 13.713 1.00 0.00 O +ATOM 9633 H1 WAT 2855 37.213 48.669 14.594 1.00 0.00 H +ATOM 9634 H2 WAT 2855 37.387 49.977 13.853 1.00 0.00 H +TER +ATOM 9635 O WAT 2856 40.956 50.595 9.314 1.00 0.00 O +ATOM 9636 H1 WAT 2856 40.716 50.863 8.427 1.00 0.00 H +ATOM 9637 H2 WAT 2856 41.897 50.766 9.369 1.00 0.00 H +TER +ATOM 9638 O WAT 2857 43.162 37.059 13.070 1.00 0.00 O +ATOM 9639 H1 WAT 2857 43.101 37.651 13.819 1.00 0.00 H +ATOM 9640 H2 WAT 2857 44.102 36.951 12.925 1.00 0.00 H +TER +ATOM 9641 O WAT 2858 45.799 36.716 12.709 1.00 0.00 O +ATOM 9642 H1 WAT 2858 46.413 37.034 12.047 1.00 0.00 H +ATOM 9643 H2 WAT 2858 46.344 36.231 13.328 1.00 0.00 H +TER +ATOM 9644 O WAT 2859 52.217 52.615 10.115 1.00 0.00 O +ATOM 9645 H1 WAT 2859 51.723 53.012 9.398 1.00 0.00 H +ATOM 9646 H2 WAT 2859 51.608 51.990 10.509 1.00 0.00 H +TER +ATOM 9647 O WAT 2860 36.321 35.395 12.823 1.00 0.00 O +ATOM 9648 H1 WAT 2860 36.870 35.214 12.059 1.00 0.00 H +ATOM 9649 H2 WAT 2860 36.387 34.605 13.358 1.00 0.00 H +TER +ATOM 9650 O WAT 2861 37.095 51.986 10.833 1.00 0.00 O +ATOM 9651 H1 WAT 2861 36.501 51.854 11.572 1.00 0.00 H +ATOM 9652 H2 WAT 2861 37.087 51.150 10.367 1.00 0.00 H +TER +ATOM 9653 O WAT 2862 46.540 35.279 9.036 1.00 0.00 O +ATOM 9654 H1 WAT 2862 45.666 35.612 8.833 1.00 0.00 H +ATOM 9655 H2 WAT 2862 46.431 34.806 9.861 1.00 0.00 H +TER +ATOM 9656 O WAT 2863 47.447 37.486 10.420 1.00 0.00 O +ATOM 9657 H1 WAT 2863 47.119 36.671 10.040 1.00 0.00 H +ATOM 9658 H2 WAT 2863 48.396 37.443 10.296 1.00 0.00 H +TER +ATOM 9659 O WAT 2864 49.901 53.257 7.394 1.00 0.00 O +ATOM 9660 H1 WAT 2864 49.441 54.009 7.019 1.00 0.00 H +ATOM 9661 H2 WAT 2864 49.272 52.538 7.335 1.00 0.00 H +TER +ATOM 9662 O WAT 2865 36.726 49.352 9.783 1.00 0.00 O +ATOM 9663 H1 WAT 2865 35.999 48.732 9.716 1.00 0.00 H +ATOM 9664 H2 WAT 2865 36.787 49.746 8.913 1.00 0.00 H +TER +ATOM 9665 O WAT 2866 40.330 51.566 6.568 1.00 0.00 O +ATOM 9666 H1 WAT 2866 40.847 50.955 6.043 1.00 0.00 H +ATOM 9667 H2 WAT 2866 40.980 52.069 7.060 1.00 0.00 H +TER +ATOM 9668 O WAT 2867 43.070 52.457 7.395 1.00 0.00 O +ATOM 9669 H1 WAT 2867 43.358 52.202 6.519 1.00 0.00 H +ATOM 9670 H2 WAT 2867 43.582 51.905 7.986 1.00 0.00 H +TER +ATOM 9671 O WAT 2868 44.288 36.196 7.975 1.00 0.00 O +ATOM 9672 H1 WAT 2868 43.505 36.671 8.255 1.00 0.00 H +ATOM 9673 H2 WAT 2868 43.994 35.291 7.866 1.00 0.00 H +TER +ATOM 9674 O WAT 2869 48.840 36.898 6.020 1.00 0.00 O +ATOM 9675 H1 WAT 2869 49.281 36.843 5.172 1.00 0.00 H +ATOM 9676 H2 WAT 2869 48.571 37.814 6.091 1.00 0.00 H +TER +ATOM 9677 O WAT 2870 50.704 36.530 4.031 1.00 0.00 O +ATOM 9678 H1 WAT 2870 50.642 35.586 3.884 1.00 0.00 H +ATOM 9679 H2 WAT 2870 51.483 36.638 4.576 1.00 0.00 H +TER +ATOM 9680 O WAT 2871 35.009 52.669 2.993 1.00 0.00 O +ATOM 9681 H1 WAT 2871 34.841 52.036 3.691 1.00 0.00 H +ATOM 9682 H2 WAT 2871 34.142 52.875 2.643 1.00 0.00 H +TER +ATOM 9683 O WAT 2872 42.173 38.615 3.487 1.00 0.00 O +ATOM 9684 H1 WAT 2872 41.361 38.240 3.146 1.00 0.00 H +ATOM 9685 H2 WAT 2872 42.677 37.859 3.789 1.00 0.00 H +TER +ATOM 9686 O WAT 2873 46.676 35.279 4.725 1.00 0.00 O +ATOM 9687 H1 WAT 2873 47.278 35.851 5.200 1.00 0.00 H +ATOM 9688 H2 WAT 2873 45.935 35.843 4.502 1.00 0.00 H +TER +ATOM 9689 O WAT 2874 43.137 53.379 14.762 1.00 0.00 O +ATOM 9690 H1 WAT 2874 44.064 53.143 14.806 1.00 0.00 H +ATOM 9691 H2 WAT 2874 43.122 54.206 14.281 1.00 0.00 H +TER +ATOM 9692 O WAT 2875 46.925 35.458 15.104 1.00 0.00 O +ATOM 9693 H1 WAT 2875 46.812 35.778 16.000 1.00 0.00 H +ATOM 9694 H2 WAT 2875 47.742 35.860 14.808 1.00 0.00 H +TER +ATOM 9695 O WAT 2876 49.705 52.606 14.586 1.00 0.00 O +ATOM 9696 H1 WAT 2876 50.497 52.110 14.379 1.00 0.00 H +ATOM 9697 H2 WAT 2876 49.998 53.285 15.194 1.00 0.00 H +TER +ATOM 9698 O WAT 2877 45.831 24.703 60.565 1.00 0.00 O +ATOM 9699 H1 WAT 2877 45.750 23.789 60.294 1.00 0.00 H +ATOM 9700 H2 WAT 2877 45.417 25.200 59.859 1.00 0.00 H +TER +ATOM 9701 O WAT 2878 43.963 26.481 62.446 1.00 0.00 O +ATOM 9702 H1 WAT 2878 43.187 26.001 62.736 1.00 0.00 H +ATOM 9703 H2 WAT 2878 44.614 25.802 62.272 1.00 0.00 H +TER +ATOM 9704 O WAT 2879 37.979 26.793 63.324 1.00 0.00 O +ATOM 9705 H1 WAT 2879 37.148 26.538 63.723 1.00 0.00 H +ATOM 9706 H2 WAT 2879 38.587 26.864 64.060 1.00 0.00 H +TER +ATOM 9707 O WAT 2880 47.983 30.887 61.226 1.00 0.00 O +ATOM 9708 H1 WAT 2880 47.522 30.116 61.555 1.00 0.00 H +ATOM 9709 H2 WAT 2880 48.796 30.914 61.731 1.00 0.00 H +TER +ATOM 9710 O WAT 2881 37.959 30.827 63.520 1.00 0.00 O +ATOM 9711 H1 WAT 2881 38.262 29.937 63.341 1.00 0.00 H +ATOM 9712 H2 WAT 2881 38.704 31.384 63.292 1.00 0.00 H +TER +ATOM 9713 O WAT 2882 36.388 21.753 57.108 1.00 0.00 O +ATOM 9714 H1 WAT 2882 35.500 22.095 57.006 1.00 0.00 H +ATOM 9715 H2 WAT 2882 36.673 21.553 56.216 1.00 0.00 H +TER +ATOM 9716 O WAT 2883 34.352 24.354 62.992 1.00 0.00 O +ATOM 9717 H1 WAT 2883 34.923 23.586 62.992 1.00 0.00 H +ATOM 9718 H2 WAT 2883 34.352 24.653 62.083 1.00 0.00 H +TER +ATOM 9719 O WAT 2884 44.210 33.173 60.847 1.00 0.00 O +ATOM 9720 H1 WAT 2884 43.591 33.629 60.276 1.00 0.00 H +ATOM 9721 H2 WAT 2884 45.065 33.328 60.445 1.00 0.00 H +TER +ATOM 9722 O WAT 2885 43.404 29.157 62.453 1.00 0.00 O +ATOM 9723 H1 WAT 2885 43.334 28.216 62.292 1.00 0.00 H +ATOM 9724 H2 WAT 2885 44.166 29.247 63.025 1.00 0.00 H +TER +ATOM 9725 O WAT 2886 35.594 19.762 64.779 1.00 0.00 O +ATOM 9726 H1 WAT 2886 35.415 18.865 65.059 1.00 0.00 H +ATOM 9727 H2 WAT 2886 35.192 20.310 65.454 1.00 0.00 H +TER +ATOM 9728 O WAT 2887 44.434 21.964 62.680 1.00 0.00 O +ATOM 9729 H1 WAT 2887 44.811 21.091 62.567 1.00 0.00 H +ATOM 9730 H2 WAT 2887 44.336 22.300 61.789 1.00 0.00 H +TER +ATOM 9731 O WAT 2888 38.565 20.337 58.142 1.00 0.00 O +ATOM 9732 H1 WAT 2888 38.671 21.237 58.449 1.00 0.00 H +ATOM 9733 H2 WAT 2888 37.654 20.288 57.851 1.00 0.00 H +TER +ATOM 9734 O WAT 2889 48.217 19.459 59.613 1.00 0.00 O +ATOM 9735 H1 WAT 2889 49.037 18.969 59.655 1.00 0.00 H +ATOM 9736 H2 WAT 2889 48.250 20.049 60.366 1.00 0.00 H +TER +ATOM 9737 O WAT 2890 36.213 22.258 63.387 1.00 0.00 O +ATOM 9738 H1 WAT 2890 36.894 22.522 64.006 1.00 0.00 H +ATOM 9739 H2 WAT 2890 35.898 21.418 63.721 1.00 0.00 H +TER +ATOM 9740 O WAT 2891 40.405 23.305 62.474 1.00 0.00 O +ATOM 9741 H1 WAT 2891 40.913 23.803 63.115 1.00 0.00 H +ATOM 9742 H2 WAT 2891 40.937 22.529 62.298 1.00 0.00 H +TER +ATOM 9743 O WAT 2892 45.076 28.057 58.240 1.00 0.00 O +ATOM 9744 H1 WAT 2892 44.458 28.522 57.676 1.00 0.00 H +ATOM 9745 H2 WAT 2892 45.588 28.750 58.657 1.00 0.00 H +TER +ATOM 9746 O WAT 2893 39.939 27.585 64.918 1.00 0.00 O +ATOM 9747 H1 WAT 2893 39.606 28.211 65.560 1.00 0.00 H +ATOM 9748 H2 WAT 2893 40.116 28.111 64.138 1.00 0.00 H +TER +ATOM 9749 O WAT 2894 48.453 21.399 62.386 1.00 0.00 O +ATOM 9750 H1 WAT 2894 47.748 21.688 62.966 1.00 0.00 H +ATOM 9751 H2 WAT 2894 48.814 22.209 62.026 1.00 0.00 H +TER +ATOM 9752 O WAT 2895 38.371 19.656 64.748 1.00 0.00 O +ATOM 9753 H1 WAT 2895 38.712 20.500 64.453 1.00 0.00 H +ATOM 9754 H2 WAT 2895 37.432 19.804 64.864 1.00 0.00 H +TER +ATOM 9755 O WAT 2896 34.444 28.743 55.614 1.00 0.00 O +ATOM 9756 H1 WAT 2896 34.067 29.231 54.882 1.00 0.00 H +ATOM 9757 H2 WAT 2896 34.702 29.415 56.244 1.00 0.00 H +TER +ATOM 9758 O WAT 2897 50.069 31.017 64.648 1.00 0.00 O +ATOM 9759 H1 WAT 2897 49.385 31.686 64.640 1.00 0.00 H +ATOM 9760 H2 WAT 2897 50.608 31.215 63.883 1.00 0.00 H +TER +ATOM 9761 O WAT 2898 51.521 20.845 62.777 1.00 0.00 O +ATOM 9762 H1 WAT 2898 50.574 20.878 62.908 1.00 0.00 H +ATOM 9763 H2 WAT 2898 51.846 21.658 63.162 1.00 0.00 H +TER +ATOM 9764 O WAT 2899 42.053 17.144 61.072 1.00 0.00 O +ATOM 9765 H1 WAT 2899 42.361 16.589 60.356 1.00 0.00 H +ATOM 9766 H2 WAT 2899 41.123 17.279 60.890 1.00 0.00 H +TER +ATOM 9767 O WAT 2900 47.605 32.861 63.363 1.00 0.00 O +ATOM 9768 H1 WAT 2900 47.618 32.457 62.495 1.00 0.00 H +ATOM 9769 H2 WAT 2900 47.052 33.636 63.259 1.00 0.00 H +TER +ATOM 9770 O WAT 2901 48.899 29.583 58.452 1.00 0.00 O +ATOM 9771 H1 WAT 2901 48.789 28.640 58.577 1.00 0.00 H +ATOM 9772 H2 WAT 2901 48.896 29.944 59.338 1.00 0.00 H +TER +ATOM 9773 O WAT 2902 47.003 27.764 64.691 1.00 0.00 O +ATOM 9774 H1 WAT 2902 47.420 27.550 63.857 1.00 0.00 H +ATOM 9775 H2 WAT 2902 47.727 28.021 65.262 1.00 0.00 H +TER +ATOM 9776 O WAT 2903 44.441 25.209 57.808 1.00 0.00 O +ATOM 9777 H1 WAT 2903 43.514 25.143 58.037 1.00 0.00 H +ATOM 9778 H2 WAT 2903 44.594 26.147 57.694 1.00 0.00 H +TER +ATOM 9779 O WAT 2904 44.428 21.481 54.805 1.00 0.00 O +ATOM 9780 H1 WAT 2904 43.489 21.642 54.890 1.00 0.00 H +ATOM 9781 H2 WAT 2904 44.747 22.199 54.259 1.00 0.00 H +TER +ATOM 9782 O WAT 2905 50.950 26.163 64.783 1.00 0.00 O +ATOM 9783 H1 WAT 2905 50.121 26.232 64.308 1.00 0.00 H +ATOM 9784 H2 WAT 2905 51.545 26.748 64.314 1.00 0.00 H +TER +ATOM 9785 O WAT 2906 48.471 26.771 58.312 1.00 0.00 O +ATOM 9786 H1 WAT 2906 47.852 26.433 57.664 1.00 0.00 H +ATOM 9787 H2 WAT 2906 48.454 26.127 59.020 1.00 0.00 H +TER +ATOM 9788 O WAT 2907 47.914 22.950 65.728 1.00 0.00 O +ATOM 9789 H1 WAT 2907 47.501 23.775 65.982 1.00 0.00 H +ATOM 9790 H2 WAT 2907 47.181 22.364 65.536 1.00 0.00 H +TER +ATOM 9791 O WAT 2908 40.047 25.736 60.590 1.00 0.00 O +ATOM 9792 H1 WAT 2908 39.643 25.023 60.095 1.00 0.00 H +ATOM 9793 H2 WAT 2908 40.133 25.391 61.479 1.00 0.00 H +TER +ATOM 9794 O WAT 2909 40.515 29.422 62.754 1.00 0.00 O +ATOM 9795 H1 WAT 2909 40.218 28.817 62.075 1.00 0.00 H +ATOM 9796 H2 WAT 2909 41.465 29.460 62.643 1.00 0.00 H +TER +ATOM 9797 O WAT 2910 38.760 22.510 64.370 1.00 0.00 O +ATOM 9798 H1 WAT 2910 39.311 22.619 63.595 1.00 0.00 H +ATOM 9799 H2 WAT 2910 39.274 22.884 65.086 1.00 0.00 H +TER +ATOM 9800 O WAT 2911 46.648 26.010 55.319 1.00 0.00 O +ATOM 9801 H1 WAT 2911 47.087 25.172 55.173 1.00 0.00 H +ATOM 9802 H2 WAT 2911 47.360 26.643 55.405 1.00 0.00 H +TER +ATOM 9803 O WAT 2912 44.757 30.949 59.287 1.00 0.00 O +ATOM 9804 H1 WAT 2912 45.197 31.692 58.873 1.00 0.00 H +ATOM 9805 H2 WAT 2912 44.696 31.192 60.211 1.00 0.00 H +TER +ATOM 9806 O WAT 2913 50.229 17.264 53.633 1.00 0.00 O +ATOM 9807 H1 WAT 2913 49.917 17.357 54.533 1.00 0.00 H +ATOM 9808 H2 WAT 2913 50.991 17.842 53.583 1.00 0.00 H +TER +ATOM 9809 O WAT 2914 36.748 24.630 58.091 1.00 0.00 O +ATOM 9810 H1 WAT 2914 36.627 25.356 57.479 1.00 0.00 H +ATOM 9811 H2 WAT 2914 36.438 23.860 57.614 1.00 0.00 H +TER +ATOM 9812 O WAT 2915 34.386 27.802 63.898 1.00 0.00 O +ATOM 9813 H1 WAT 2915 34.464 27.936 62.953 1.00 0.00 H +ATOM 9814 H2 WAT 2915 35.000 27.093 64.091 1.00 0.00 H +TER +ATOM 9815 O WAT 2916 35.631 29.502 60.308 1.00 0.00 O +ATOM 9816 H1 WAT 2916 35.224 29.643 59.454 1.00 0.00 H +ATOM 9817 H2 WAT 2916 36.522 29.218 60.105 1.00 0.00 H +TER +ATOM 9818 O WAT 2917 47.424 33.936 56.643 1.00 0.00 O +ATOM 9819 H1 WAT 2917 47.264 33.647 57.542 1.00 0.00 H +ATOM 9820 H2 WAT 2917 47.259 33.160 56.108 1.00 0.00 H +TER +ATOM 9821 O WAT 2918 39.903 33.716 58.421 1.00 0.00 O +ATOM 9822 H1 WAT 2918 39.727 32.800 58.207 1.00 0.00 H +ATOM 9823 H2 WAT 2918 39.049 34.075 58.660 1.00 0.00 H +TER +ATOM 9824 O WAT 2919 47.127 31.445 55.203 1.00 0.00 O +ATOM 9825 H1 WAT 2919 46.433 31.443 54.543 1.00 0.00 H +ATOM 9826 H2 WAT 2919 47.869 31.021 54.773 1.00 0.00 H +TER +ATOM 9827 O WAT 2920 46.692 33.071 59.278 1.00 0.00 O +ATOM 9828 H1 WAT 2920 47.147 32.290 59.592 1.00 0.00 H +ATOM 9829 H2 WAT 2920 47.031 33.782 59.822 1.00 0.00 H +TER +ATOM 9830 O WAT 2921 39.214 17.974 61.473 1.00 0.00 O +ATOM 9831 H1 WAT 2921 38.771 18.755 61.142 1.00 0.00 H +ATOM 9832 H2 WAT 2921 39.772 18.297 62.180 1.00 0.00 H +TER +ATOM 9833 O WAT 2922 42.330 17.595 56.354 1.00 0.00 O +ATOM 9834 H1 WAT 2922 41.705 17.591 57.079 1.00 0.00 H +ATOM 9835 H2 WAT 2922 42.243 16.728 55.957 1.00 0.00 H +TER +ATOM 9836 O WAT 2923 41.251 18.518 63.332 1.00 0.00 O +ATOM 9837 H1 WAT 2923 41.549 19.425 63.251 1.00 0.00 H +ATOM 9838 H2 WAT 2923 41.800 18.030 62.718 1.00 0.00 H +TER +ATOM 9839 O WAT 2924 39.005 23.097 59.201 1.00 0.00 O +ATOM 9840 H1 WAT 2924 38.779 22.881 60.106 1.00 0.00 H +ATOM 9841 H2 WAT 2924 38.225 23.530 58.856 1.00 0.00 H +TER +ATOM 9842 O WAT 2925 46.235 23.103 57.800 1.00 0.00 O +ATOM 9843 H1 WAT 2925 45.636 23.827 57.617 1.00 0.00 H +ATOM 9844 H2 WAT 2925 46.783 23.041 57.018 1.00 0.00 H +TER +ATOM 9845 O WAT 2926 44.842 21.740 59.831 1.00 0.00 O +ATOM 9846 H1 WAT 2926 45.235 22.057 59.018 1.00 0.00 H +ATOM 9847 H2 WAT 2926 45.203 20.861 59.945 1.00 0.00 H +TER +ATOM 9848 O WAT 2927 33.878 18.330 62.054 1.00 0.00 O +ATOM 9849 H1 WAT 2927 33.589 18.900 62.766 1.00 0.00 H +ATOM 9850 H2 WAT 2927 34.623 17.850 62.417 1.00 0.00 H +TER +ATOM 9851 O WAT 2928 34.065 22.272 53.264 1.00 0.00 O +ATOM 9852 H1 WAT 2928 33.982 23.215 53.406 1.00 0.00 H +ATOM 9853 H2 WAT 2928 33.713 22.129 52.385 1.00 0.00 H +TER +ATOM 9854 O WAT 2929 45.427 24.330 63.926 1.00 0.00 O +ATOM 9855 H1 WAT 2929 44.695 24.839 64.275 1.00 0.00 H +ATOM 9856 H2 WAT 2929 45.030 23.513 63.625 1.00 0.00 H +TER +ATOM 9857 O WAT 2930 41.865 21.006 62.331 1.00 0.00 O +ATOM 9858 H1 WAT 2930 41.868 20.565 61.482 1.00 0.00 H +ATOM 9859 H2 WAT 2930 42.760 21.327 62.438 1.00 0.00 H +TER +ATOM 9860 O WAT 2931 37.715 20.888 61.290 1.00 0.00 O +ATOM 9861 H1 WAT 2931 37.375 21.366 62.047 1.00 0.00 H +ATOM 9862 H2 WAT 2931 36.953 20.435 60.931 1.00 0.00 H +TER +ATOM 9863 O WAT 2932 41.927 22.007 55.322 1.00 0.00 O +ATOM 9864 H1 WAT 2932 42.048 21.965 56.270 1.00 0.00 H +ATOM 9865 H2 WAT 2932 41.542 22.869 55.166 1.00 0.00 H +TER +ATOM 9866 O WAT 2933 45.890 19.784 63.338 1.00 0.00 O +ATOM 9867 H1 WAT 2933 45.907 20.234 64.182 1.00 0.00 H +ATOM 9868 H2 WAT 2933 45.641 18.884 63.551 1.00 0.00 H +TER +ATOM 9869 O WAT 2934 40.939 24.317 54.720 1.00 0.00 O +ATOM 9870 H1 WAT 2934 40.371 23.869 54.094 1.00 0.00 H +ATOM 9871 H2 WAT 2934 41.648 24.676 54.187 1.00 0.00 H +TER +ATOM 9872 O WAT 2935 42.166 25.066 64.078 1.00 0.00 O +ATOM 9873 H1 WAT 2935 42.533 24.592 64.824 1.00 0.00 H +ATOM 9874 H2 WAT 2935 41.976 25.940 64.418 1.00 0.00 H +TER +ATOM 9875 O WAT 2936 35.030 19.810 60.207 1.00 0.00 O +ATOM 9876 H1 WAT 2936 34.744 19.446 61.045 1.00 0.00 H +ATOM 9877 H2 WAT 2936 34.968 19.078 59.593 1.00 0.00 H +TER +ATOM 9878 O WAT 2937 38.484 28.313 56.993 1.00 0.00 O +ATOM 9879 H1 WAT 2937 37.710 27.773 56.833 1.00 0.00 H +ATOM 9880 H2 WAT 2937 39.213 27.793 56.654 1.00 0.00 H +TER +ATOM 9881 O WAT 2938 49.243 27.309 62.785 1.00 0.00 O +ATOM 9882 H1 WAT 2938 49.962 27.805 62.395 1.00 0.00 H +ATOM 9883 H2 WAT 2938 49.041 26.631 62.141 1.00 0.00 H +TER +ATOM 9884 O WAT 2939 44.704 18.703 56.928 1.00 0.00 O +ATOM 9885 H1 WAT 2939 43.890 18.204 56.853 1.00 0.00 H +ATOM 9886 H2 WAT 2939 44.510 19.543 56.512 1.00 0.00 H +TER +ATOM 9887 O WAT 2940 47.418 23.075 55.225 1.00 0.00 O +ATOM 9888 H1 WAT 2940 48.306 23.387 55.050 1.00 0.00 H +ATOM 9889 H2 WAT 2940 47.389 22.202 54.833 1.00 0.00 H +TER +ATOM 9890 O WAT 2941 38.527 27.981 60.631 1.00 0.00 O +ATOM 9891 H1 WAT 2941 39.045 27.178 60.576 1.00 0.00 H +ATOM 9892 H2 WAT 2941 38.076 27.919 61.472 1.00 0.00 H +TER +ATOM 9893 O WAT 2942 43.414 29.247 55.903 1.00 0.00 O +ATOM 9894 H1 WAT 2942 43.756 29.992 55.408 1.00 0.00 H +ATOM 9895 H2 WAT 2942 42.586 29.561 56.266 1.00 0.00 H +TER +ATOM 9896 O WAT 2943 49.690 24.386 54.692 1.00 0.00 O +ATOM 9897 H1 WAT 2943 49.606 24.818 53.842 1.00 0.00 H +ATOM 9898 H2 WAT 2943 50.409 24.846 55.125 1.00 0.00 H +TER +ATOM 9899 O WAT 2944 50.719 31.240 57.421 1.00 0.00 O +ATOM 9900 H1 WAT 2944 50.076 30.586 57.695 1.00 0.00 H +ATOM 9901 H2 WAT 2944 50.332 31.646 56.645 1.00 0.00 H +TER +ATOM 9902 O WAT 2945 46.297 28.569 61.268 1.00 0.00 O +ATOM 9903 H1 WAT 2945 46.650 27.972 60.608 1.00 0.00 H +ATOM 9904 H2 WAT 2945 45.413 28.243 61.439 1.00 0.00 H +TER +ATOM 9905 O WAT 2946 42.383 29.329 58.675 1.00 0.00 O +ATOM 9906 H1 WAT 2946 43.071 29.876 59.056 1.00 0.00 H +ATOM 9907 H2 WAT 2946 41.597 29.873 58.710 1.00 0.00 H +TER +ATOM 9908 O WAT 2947 34.523 24.946 54.167 1.00 0.00 O +ATOM 9909 H1 WAT 2947 35.392 25.229 54.450 1.00 0.00 H +ATOM 9910 H2 WAT 2947 34.032 25.760 54.052 1.00 0.00 H +TER +ATOM 9911 O WAT 2948 41.686 26.333 58.287 1.00 0.00 O +ATOM 9912 H1 WAT 2948 42.142 27.144 58.513 1.00 0.00 H +ATOM 9913 H2 WAT 2948 41.335 26.016 59.119 1.00 0.00 H +TER +ATOM 9914 O WAT 2949 37.587 16.677 58.760 1.00 0.00 O +ATOM 9915 H1 WAT 2949 37.459 16.669 59.708 1.00 0.00 H +ATOM 9916 H2 WAT 2949 36.764 17.015 58.409 1.00 0.00 H +TER +ATOM 9917 O WAT 2950 45.263 29.847 64.234 1.00 0.00 O +ATOM 9918 H1 WAT 2950 45.905 29.147 64.348 1.00 0.00 H +ATOM 9919 H2 WAT 2950 45.788 30.627 64.054 1.00 0.00 H +TER +ATOM 9920 O WAT 2951 49.108 30.132 53.958 1.00 0.00 O +ATOM 9921 H1 WAT 2951 48.882 29.415 54.551 1.00 0.00 H +ATOM 9922 H2 WAT 2951 48.718 29.883 53.121 1.00 0.00 H +TER +ATOM 9923 O WAT 2952 34.890 34.159 54.733 1.00 0.00 O +ATOM 9924 H1 WAT 2952 35.250 34.758 54.079 1.00 0.00 H +ATOM 9925 H2 WAT 2952 34.749 34.705 55.506 1.00 0.00 H +TER +ATOM 9926 O WAT 2953 48.690 28.049 55.620 1.00 0.00 O +ATOM 9927 H1 WAT 2953 48.402 28.511 56.408 1.00 0.00 H +ATOM 9928 H2 WAT 2953 49.485 27.589 55.888 1.00 0.00 H +TER +ATOM 9929 O WAT 2954 40.907 31.542 55.550 1.00 0.00 O +ATOM 9930 H1 WAT 2954 40.898 32.275 54.935 1.00 0.00 H +ATOM 9931 H2 WAT 2954 39.987 31.295 55.643 1.00 0.00 H +TER +ATOM 9932 O WAT 2955 36.507 26.763 56.295 1.00 0.00 O +ATOM 9933 H1 WAT 2955 35.900 27.503 56.304 1.00 0.00 H +ATOM 9934 H2 WAT 2955 36.982 26.853 55.469 1.00 0.00 H +TER +ATOM 9935 O WAT 2956 49.447 19.884 56.779 1.00 0.00 O +ATOM 9936 H1 WAT 2956 48.818 19.989 56.065 1.00 0.00 H +ATOM 9937 H2 WAT 2956 48.952 20.104 57.569 1.00 0.00 H +TER +ATOM 9938 O WAT 2957 43.893 31.605 54.213 1.00 0.00 O +ATOM 9939 H1 WAT 2957 43.994 31.401 53.283 1.00 0.00 H +ATOM 9940 H2 WAT 2957 42.993 31.351 54.417 1.00 0.00 H +TER +ATOM 9941 O WAT 2958 41.415 22.163 58.195 1.00 0.00 O +ATOM 9942 H1 WAT 2958 40.707 22.631 58.636 1.00 0.00 H +ATOM 9943 H2 WAT 2958 41.700 21.505 58.830 1.00 0.00 H +TER +ATOM 9944 O WAT 2959 45.447 18.888 59.635 1.00 0.00 O +ATOM 9945 H1 WAT 2959 45.324 18.906 58.686 1.00 0.00 H +ATOM 9946 H2 WAT 2959 46.395 18.936 59.754 1.00 0.00 H +TER +ATOM 9947 O WAT 2960 42.534 34.123 58.907 1.00 0.00 O +ATOM 9948 H1 WAT 2960 42.789 34.086 57.985 1.00 0.00 H +ATOM 9949 H2 WAT 2960 41.586 33.997 58.900 1.00 0.00 H +TER +ATOM 9950 O WAT 2961 39.619 20.471 55.570 1.00 0.00 O +ATOM 9951 H1 WAT 2961 40.468 20.908 55.504 1.00 0.00 H +ATOM 9952 H2 WAT 2961 39.252 20.783 56.397 1.00 0.00 H +TER +ATOM 9953 O WAT 2962 48.540 25.043 60.483 1.00 0.00 O +ATOM 9954 H1 WAT 2962 47.599 25.058 60.658 1.00 0.00 H +ATOM 9955 H2 WAT 2962 48.854 24.256 60.929 1.00 0.00 H +TER +ATOM 9956 O WAT 2963 38.518 26.725 54.044 1.00 0.00 O +ATOM 9957 H1 WAT 2963 39.284 26.613 54.606 1.00 0.00 H +ATOM 9958 H2 WAT 2963 38.595 26.028 53.391 1.00 0.00 H +TER +ATOM 9959 O WAT 2964 37.213 24.157 54.727 1.00 0.00 O +ATOM 9960 H1 WAT 2964 37.293 23.210 54.839 1.00 0.00 H +ATOM 9961 H2 WAT 2964 38.105 24.488 54.833 1.00 0.00 H +TER +ATOM 9962 O WAT 2965 50.542 32.213 62.159 1.00 0.00 O +ATOM 9963 H1 WAT 2965 50.667 33.037 62.631 1.00 0.00 H +ATOM 9964 H2 WAT 2965 51.409 32.003 61.811 1.00 0.00 H +TER +ATOM 9965 O WAT 2966 38.014 34.307 61.830 1.00 0.00 O +ATOM 9966 H1 WAT 2966 38.750 33.758 62.101 1.00 0.00 H +ATOM 9967 H2 WAT 2966 38.398 35.172 61.691 1.00 0.00 H +TER +ATOM 9968 O WAT 2967 34.899 30.374 57.705 1.00 0.00 O +ATOM 9969 H1 WAT 2967 33.973 30.616 57.695 1.00 0.00 H +ATOM 9970 H2 WAT 2967 35.364 31.201 57.583 1.00 0.00 H +TER +ATOM 9971 O WAT 2968 41.124 33.480 53.653 1.00 0.00 O +ATOM 9972 H1 WAT 2968 41.917 33.768 53.201 1.00 0.00 H +ATOM 9973 H2 WAT 2968 40.605 33.049 52.974 1.00 0.00 H +TER +ATOM 9974 O WAT 2969 50.177 32.707 55.077 1.00 0.00 O +ATOM 9975 H1 WAT 2969 49.891 32.293 54.262 1.00 0.00 H +ATOM 9976 H2 WAT 2969 49.979 33.635 54.957 1.00 0.00 H +TER +ATOM 9977 O WAT 2970 41.642 28.700 53.517 1.00 0.00 O +ATOM 9978 H1 WAT 2970 41.537 28.085 54.243 1.00 0.00 H +ATOM 9979 H2 WAT 2970 41.474 28.177 52.734 1.00 0.00 H +TER +ATOM 9980 O WAT 2971 44.882 27.762 54.121 1.00 0.00 O +ATOM 9981 H1 WAT 2971 44.333 28.209 54.766 1.00 0.00 H +ATOM 9982 H2 WAT 2971 45.504 27.257 54.645 1.00 0.00 H +TER +ATOM 9983 O WAT 2972 40.550 26.721 56.018 1.00 0.00 O +ATOM 9984 H1 WAT 2972 40.971 26.555 56.861 1.00 0.00 H +ATOM 9985 H2 WAT 2972 40.675 25.911 55.523 1.00 0.00 H +TER +ATOM 9986 O WAT 2973 43.063 25.745 53.266 1.00 0.00 O +ATOM 9987 H1 WAT 2973 43.583 25.030 52.900 1.00 0.00 H +ATOM 9988 H2 WAT 2973 43.709 26.383 53.566 1.00 0.00 H +TER +ATOM 9989 O WAT 2974 39.446 22.794 52.964 1.00 0.00 O +ATOM 9990 H1 WAT 2974 39.245 21.931 53.325 1.00 0.00 H +ATOM 9991 H2 WAT 2974 39.275 22.708 52.026 1.00 0.00 H +TER +ATOM 9992 O WAT 2975 46.925 17.605 55.492 1.00 0.00 O +ATOM 9993 H1 WAT 2975 47.205 16.762 55.848 1.00 0.00 H +ATOM 9994 H2 WAT 2975 46.151 17.838 56.006 1.00 0.00 H +TER +ATOM 9995 O WAT 2976 38.244 19.894 52.952 1.00 0.00 O +ATOM 9996 H1 WAT 2976 38.547 19.901 52.043 1.00 0.00 H +ATOM 9997 H2 WAT 2976 38.983 19.544 53.448 1.00 0.00 H +TER +ATOM 9998 O WAT 2977 41.462 18.838 53.937 1.00 0.00 O +ATOM 9999 H1 WAT 2977 41.115 18.160 53.357 1.00 0.00 H +ATOM 10000 H2 WAT 2977 41.664 18.377 54.752 1.00 0.00 H +TER +ATOM 10001 O WAT 2978 43.627 33.826 55.556 1.00 0.00 O +ATOM 10002 H1 WAT 2978 44.522 34.164 55.578 1.00 0.00 H +ATOM 10003 H2 WAT 2978 43.659 33.104 54.928 1.00 0.00 H +TER +ATOM 10004 O WAT 2979 37.267 29.199 53.785 1.00 0.00 O +ATOM 10005 H1 WAT 2979 37.704 29.742 54.440 1.00 0.00 H +ATOM 10006 H2 WAT 2979 37.752 28.373 53.794 1.00 0.00 H +TER +ATOM 10007 O WAT 2980 34.482 31.988 61.237 1.00 0.00 O +ATOM 10008 H1 WAT 2980 34.812 31.120 61.004 1.00 0.00 H +ATOM 10009 H2 WAT 2980 34.911 32.193 62.067 1.00 0.00 H +TER +ATOM 10010 O WAT 2981 39.078 30.318 58.897 1.00 0.00 O +ATOM 10011 H1 WAT 2981 38.777 30.195 59.797 1.00 0.00 H +ATOM 10012 H2 WAT 2981 38.972 29.459 58.488 1.00 0.00 H +TER +ATOM 10013 O WAT 2982 34.971 32.855 63.975 1.00 0.00 O +ATOM 10014 H1 WAT 2982 34.534 33.035 64.807 1.00 0.00 H +ATOM 10015 H2 WAT 2982 35.538 33.612 63.833 1.00 0.00 H +TER +ATOM 10016 O WAT 2983 51.847 30.098 53.599 1.00 0.00 O +ATOM 10017 H1 WAT 2983 51.016 30.166 54.070 1.00 0.00 H +ATOM 10018 H2 WAT 2983 52.024 30.989 53.296 1.00 0.00 H +TER +ATOM 10019 O WAT 2984 51.303 26.843 56.103 1.00 0.00 O +ATOM 10020 H1 WAT 2984 52.065 27.413 56.209 1.00 0.00 H +ATOM 10021 H2 WAT 2984 51.318 26.276 56.874 1.00 0.00 H +TER +ATOM 10022 O WAT 2985 34.803 25.367 60.334 1.00 0.00 O +ATOM 10023 H1 WAT 2985 34.148 25.098 59.690 1.00 0.00 H +ATOM 10024 H2 WAT 2985 35.641 25.257 59.884 1.00 0.00 H +TER +ATOM 10025 O WAT 2986 52.309 27.698 60.947 1.00 0.00 O +ATOM 10026 H1 WAT 2986 52.679 26.915 60.541 1.00 0.00 H +ATOM 10027 H2 WAT 2986 52.949 28.387 60.769 1.00 0.00 H +TER +ATOM 10028 O WAT 2987 51.355 27.136 53.260 1.00 0.00 O +ATOM 10029 H1 WAT 2987 51.629 28.044 53.132 1.00 0.00 H +ATOM 10030 H2 WAT 2987 51.166 27.073 54.196 1.00 0.00 H +TER +ATOM 10031 O WAT 2988 47.752 20.161 54.555 1.00 0.00 O +ATOM 10032 H1 WAT 2988 48.171 19.974 53.715 1.00 0.00 H +ATOM 10033 H2 WAT 2988 47.446 19.309 54.866 1.00 0.00 H +TER +ATOM 10034 O WAT 2989 51.251 25.073 58.253 1.00 0.00 O +ATOM 10035 H1 WAT 2989 50.875 24.306 57.821 1.00 0.00 H +ATOM 10036 H2 WAT 2989 50.521 25.455 58.741 1.00 0.00 H +TER +ATOM 10037 O WAT 2990 35.841 25.752 64.874 1.00 0.00 O +ATOM 10038 H1 WAT 2990 36.208 25.665 65.754 1.00 0.00 H +ATOM 10039 H2 WAT 2990 35.272 24.989 64.775 1.00 0.00 H +TER +ATOM 10040 O WAT 2991 34.017 22.577 56.276 1.00 0.00 O +ATOM 10041 H1 WAT 2991 33.113 22.840 56.101 1.00 0.00 H +ATOM 10042 H2 WAT 2991 34.501 22.848 55.496 1.00 0.00 H +TER +ATOM 10043 O WAT 2992 50.526 23.299 61.554 1.00 0.00 O +ATOM 10044 H1 WAT 2992 51.050 22.805 60.923 1.00 0.00 H +ATOM 10045 H2 WAT 2992 51.112 23.434 62.299 1.00 0.00 H +TER +ATOM 10046 O WAT 2993 50.705 23.383 65.076 1.00 0.00 O +ATOM 10047 H1 WAT 2993 49.755 23.349 65.190 1.00 0.00 H +ATOM 10048 H2 WAT 2993 50.886 24.293 64.841 1.00 0.00 H +TER +ATOM 10049 O WAT 2994 36.560 21.633 54.186 1.00 0.00 O +ATOM 10050 H1 WAT 2994 37.269 21.211 53.700 1.00 0.00 H +ATOM 10051 H2 WAT 2994 35.844 21.701 53.554 1.00 0.00 H +TER +ATOM 10052 O WAT 2995 36.207 17.687 53.226 1.00 0.00 O +ATOM 10053 H1 WAT 2995 36.930 18.228 53.544 1.00 0.00 H +ATOM 10054 H2 WAT 2995 36.479 17.413 52.350 1.00 0.00 H +TER +ATOM 10055 O WAT 2996 50.016 22.556 57.493 1.00 0.00 O +ATOM 10056 H1 WAT 2996 50.512 22.323 58.278 1.00 0.00 H +ATOM 10057 H2 WAT 2996 49.818 21.717 57.077 1.00 0.00 H +TER +ATOM 10058 O WAT 2997 35.896 16.938 63.128 1.00 0.00 O +ATOM 10059 H1 WAT 2997 36.544 16.387 62.688 1.00 0.00 H +ATOM 10060 H2 WAT 2997 36.316 17.192 63.950 1.00 0.00 H +TER +ATOM 10061 O WAT 2998 51.445 21.192 60.027 1.00 0.00 O +ATOM 10062 H1 WAT 2998 51.335 21.038 60.965 1.00 0.00 H +ATOM 10063 H2 WAT 2998 52.206 20.664 59.784 1.00 0.00 H +TER +ATOM 10064 O WAT 2999 52.334 19.023 53.267 1.00 0.00 O +ATOM 10065 H1 WAT 2999 53.259 18.891 53.059 1.00 0.00 H +ATOM 10066 H2 WAT 2999 52.311 19.102 54.221 1.00 0.00 H +TER +ATOM 10067 O WAT 3000 52.408 19.794 55.893 1.00 0.00 O +ATOM 10068 H1 WAT 3000 51.613 19.729 56.422 1.00 0.00 H +ATOM 10069 H2 WAT 3000 52.612 20.729 55.882 1.00 0.00 H +TER +ATOM 10070 O WAT 3001 49.350 33.833 59.887 1.00 0.00 O +ATOM 10071 H1 WAT 3001 49.945 33.512 59.210 1.00 0.00 H +ATOM 10072 H2 WAT 3001 49.607 33.361 60.678 1.00 0.00 H +TER +ATOM 10073 O WAT 3002 40.956 31.821 65.637 1.00 0.00 O +ATOM 10074 H1 WAT 3002 40.716 32.089 64.750 1.00 0.00 H +ATOM 10075 H2 WAT 3002 41.897 31.992 65.692 1.00 0.00 H +TER +ATOM 10076 O WAT 3003 49.901 34.483 63.717 1.00 0.00 O +ATOM 10077 H1 WAT 3003 49.441 35.235 63.342 1.00 0.00 H +ATOM 10078 H2 WAT 3003 49.272 33.764 63.658 1.00 0.00 H +TER +ATOM 10079 O WAT 3004 40.330 32.792 62.891 1.00 0.00 O +ATOM 10080 H1 WAT 3004 40.847 32.180 62.366 1.00 0.00 H +ATOM 10081 H2 WAT 3004 40.980 33.295 63.383 1.00 0.00 H +TER +ATOM 10082 O WAT 3005 43.070 33.683 63.718 1.00 0.00 O +ATOM 10083 H1 WAT 3005 43.358 33.428 62.842 1.00 0.00 H +ATOM 10084 H2 WAT 3005 43.582 33.130 64.309 1.00 0.00 H +TER +ATOM 10085 O WAT 3006 44.288 17.422 64.298 1.00 0.00 O +ATOM 10086 H1 WAT 3006 43.505 17.896 64.578 1.00 0.00 H +ATOM 10087 H2 WAT 3006 43.994 16.517 64.189 1.00 0.00 H +TER +ATOM 10088 O WAT 3007 48.840 18.124 62.343 1.00 0.00 O +ATOM 10089 H1 WAT 3007 49.281 18.068 61.495 1.00 0.00 H +ATOM 10090 H2 WAT 3007 48.571 19.040 62.414 1.00 0.00 H +TER +ATOM 10091 O WAT 3008 50.704 17.755 60.354 1.00 0.00 O +ATOM 10092 H1 WAT 3008 50.642 16.812 60.207 1.00 0.00 H +ATOM 10093 H2 WAT 3008 51.483 17.863 60.899 1.00 0.00 H +TER +ATOM 10094 O WAT 3009 35.009 33.895 59.316 1.00 0.00 O +ATOM 10095 H1 WAT 3009 34.841 33.262 60.014 1.00 0.00 H +ATOM 10096 H2 WAT 3009 34.142 34.101 58.966 1.00 0.00 H +TER +ATOM 10097 O WAT 3010 35.632 17.726 56.819 1.00 0.00 O +ATOM 10098 H1 WAT 3010 36.390 17.839 56.246 1.00 0.00 H +ATOM 10099 H2 WAT 3010 35.169 18.563 56.774 1.00 0.00 H +TER +ATOM 10100 O WAT 3011 42.173 19.840 59.810 1.00 0.00 O +ATOM 10101 H1 WAT 3011 41.361 19.466 59.469 1.00 0.00 H +ATOM 10102 H2 WAT 3011 42.677 19.085 60.112 1.00 0.00 H +TER +ATOM 10103 O WAT 3012 46.676 16.505 61.048 1.00 0.00 O +ATOM 10104 H1 WAT 3012 47.278 17.077 61.523 1.00 0.00 H +ATOM 10105 H2 WAT 3012 45.935 17.068 60.825 1.00 0.00 H +TER +ATOM 10106 O WAT 3013 49.819 16.907 56.322 1.00 0.00 O +ATOM 10107 H1 WAT 3013 50.014 17.805 56.589 1.00 0.00 H +ATOM 10108 H2 WAT 3013 49.032 16.675 56.815 1.00 0.00 H +TER +ATOM 10109 O WAT 3014 36.615 32.588 56.761 1.00 0.00 O +ATOM 10110 H1 WAT 3014 36.090 32.969 56.057 1.00 0.00 H +ATOM 10111 H2 WAT 3014 36.540 33.213 57.482 1.00 0.00 H +TER +ATOM 10112 O WAT 3015 38.004 18.253 55.360 1.00 0.00 O +ATOM 10113 H1 WAT 3015 38.533 17.466 55.230 1.00 0.00 H +ATOM 10114 H2 WAT 3015 38.637 18.932 55.593 1.00 0.00 H +TER +ATOM 10115 O WAT 3016 40.198 17.990 58.414 1.00 0.00 O +ATOM 10116 H1 WAT 3016 39.568 17.289 58.581 1.00 0.00 H +ATOM 10117 H2 WAT 3016 39.658 18.751 58.197 1.00 0.00 H +TER +ATOM 10118 O WAT 3017 51.372 34.147 58.083 1.00 0.00 O +ATOM 10119 H1 WAT 3017 51.547 33.461 57.439 1.00 0.00 H +ATOM 10120 H2 WAT 3017 50.674 34.671 57.690 1.00 0.00 H +TER +ATOM 10121 O WAT 3018 39.214 34.536 55.636 1.00 0.00 O +ATOM 10122 H1 WAT 3018 39.946 34.252 55.089 1.00 0.00 H +ATOM 10123 H2 WAT 3018 39.474 34.298 56.526 1.00 0.00 H +TER +ATOM 10124 O WAT 3019 38.376 30.653 55.641 1.00 0.00 O +ATOM 10125 H1 WAT 3019 37.747 31.121 56.189 1.00 0.00 H +ATOM 10126 H2 WAT 3019 38.491 29.808 56.075 1.00 0.00 H +TER +ATOM 10127 O WAT 3020 45.831 24.703 41.791 1.00 0.00 O +ATOM 10128 H1 WAT 3020 45.750 23.789 41.520 1.00 0.00 H +ATOM 10129 H2 WAT 3020 45.417 25.200 41.085 1.00 0.00 H +TER +ATOM 10130 O WAT 3021 37.979 26.793 44.549 1.00 0.00 O +ATOM 10131 H1 WAT 3021 37.148 26.538 44.949 1.00 0.00 H +ATOM 10132 H2 WAT 3021 38.587 26.864 45.285 1.00 0.00 H +TER +ATOM 10133 O WAT 3022 34.352 24.354 44.218 1.00 0.00 O +ATOM 10134 H1 WAT 3022 34.923 23.586 44.218 1.00 0.00 H +ATOM 10135 H2 WAT 3022 34.352 24.653 43.308 1.00 0.00 H +TER +ATOM 10136 O WAT 3023 35.594 19.762 46.005 1.00 0.00 O +ATOM 10137 H1 WAT 3023 35.415 18.865 46.285 1.00 0.00 H +ATOM 10138 H2 WAT 3023 35.192 20.310 46.679 1.00 0.00 H +TER +ATOM 10139 O WAT 3024 44.434 21.964 43.906 1.00 0.00 O +ATOM 10140 H1 WAT 3024 44.811 21.091 43.793 1.00 0.00 H +ATOM 10141 H2 WAT 3024 44.336 22.300 43.015 1.00 0.00 H +TER +ATOM 10142 O WAT 3025 38.565 20.337 39.367 1.00 0.00 O +ATOM 10143 H1 WAT 3025 38.671 21.237 39.674 1.00 0.00 H +ATOM 10144 H2 WAT 3025 37.654 20.288 39.077 1.00 0.00 H +TER +ATOM 10145 O WAT 3026 48.217 19.459 40.839 1.00 0.00 O +ATOM 10146 H1 WAT 3026 49.037 18.969 40.881 1.00 0.00 H +ATOM 10147 H2 WAT 3026 48.250 20.049 41.592 1.00 0.00 H +TER +ATOM 10148 O WAT 3027 36.213 22.258 44.613 1.00 0.00 O +ATOM 10149 H1 WAT 3027 36.894 22.522 45.231 1.00 0.00 H +ATOM 10150 H2 WAT 3027 35.898 21.418 44.947 1.00 0.00 H +TER +ATOM 10151 O WAT 3028 40.405 23.305 43.700 1.00 0.00 O +ATOM 10152 H1 WAT 3028 40.913 23.803 44.341 1.00 0.00 H +ATOM 10153 H2 WAT 3028 40.937 22.529 43.524 1.00 0.00 H +TER +ATOM 10154 O WAT 3029 52.506 21.476 47.403 1.00 0.00 O +ATOM 10155 H1 WAT 3029 51.802 21.864 46.884 1.00 0.00 H +ATOM 10156 H2 WAT 3029 52.772 22.171 48.005 1.00 0.00 H +TER +ATOM 10157 O WAT 3030 38.689 17.945 47.966 1.00 0.00 O +ATOM 10158 H1 WAT 3030 38.691 18.462 47.161 1.00 0.00 H +ATOM 10159 H2 WAT 3030 37.859 17.468 47.943 1.00 0.00 H +TER +ATOM 10160 O WAT 3031 39.939 27.585 46.144 1.00 0.00 O +ATOM 10161 H1 WAT 3031 39.606 28.211 46.786 1.00 0.00 H +ATOM 10162 H2 WAT 3031 40.116 28.111 45.364 1.00 0.00 H +TER +ATOM 10163 O WAT 3032 48.453 21.399 43.611 1.00 0.00 O +ATOM 10164 H1 WAT 3032 47.748 21.688 44.192 1.00 0.00 H +ATOM 10165 H2 WAT 3032 48.814 22.209 43.251 1.00 0.00 H +TER +ATOM 10166 O WAT 3033 38.371 19.656 45.973 1.00 0.00 O +ATOM 10167 H1 WAT 3033 38.712 20.500 45.679 1.00 0.00 H +ATOM 10168 H2 WAT 3033 37.432 19.804 46.090 1.00 0.00 H +TER +ATOM 10169 O WAT 3034 50.069 31.017 45.874 1.00 0.00 O +ATOM 10170 H1 WAT 3034 49.385 31.686 45.866 1.00 0.00 H +ATOM 10171 H2 WAT 3034 50.608 31.215 45.109 1.00 0.00 H +TER +ATOM 10172 O WAT 3035 51.521 20.845 44.002 1.00 0.00 O +ATOM 10173 H1 WAT 3035 50.574 20.878 44.134 1.00 0.00 H +ATOM 10174 H2 WAT 3035 51.846 21.658 44.387 1.00 0.00 H +TER +ATOM 10175 O WAT 3036 42.053 17.144 42.298 1.00 0.00 O +ATOM 10176 H1 WAT 3036 42.361 16.589 41.581 1.00 0.00 H +ATOM 10177 H2 WAT 3036 41.123 17.279 42.115 1.00 0.00 H +TER +ATOM 10178 O WAT 3037 47.605 32.861 44.589 1.00 0.00 O +ATOM 10179 H1 WAT 3037 47.618 32.457 43.721 1.00 0.00 H +ATOM 10180 H2 WAT 3037 47.052 33.636 44.485 1.00 0.00 H +TER +ATOM 10181 O WAT 3038 48.899 29.583 39.678 1.00 0.00 O +ATOM 10182 H1 WAT 3038 48.789 28.640 39.803 1.00 0.00 H +ATOM 10183 H2 WAT 3038 48.896 29.944 40.564 1.00 0.00 H +TER +ATOM 10184 O WAT 3039 47.003 27.764 45.917 1.00 0.00 O +ATOM 10185 H1 WAT 3039 47.420 27.550 45.082 1.00 0.00 H +ATOM 10186 H2 WAT 3039 47.727 28.021 46.488 1.00 0.00 H +TER +ATOM 10187 O WAT 3040 44.441 25.209 39.034 1.00 0.00 O +ATOM 10188 H1 WAT 3040 43.514 25.143 39.263 1.00 0.00 H +ATOM 10189 H2 WAT 3040 44.594 26.147 38.919 1.00 0.00 H +TER +ATOM 10190 O WAT 3041 44.428 21.481 36.031 1.00 0.00 O +ATOM 10191 H1 WAT 3041 43.489 21.642 36.116 1.00 0.00 H +ATOM 10192 H2 WAT 3041 44.747 22.199 35.484 1.00 0.00 H +TER +ATOM 10193 O WAT 3042 50.950 26.163 46.008 1.00 0.00 O +ATOM 10194 H1 WAT 3042 50.121 26.232 45.534 1.00 0.00 H +ATOM 10195 H2 WAT 3042 51.545 26.748 45.540 1.00 0.00 H +TER +ATOM 10196 O WAT 3043 48.471 26.771 39.537 1.00 0.00 O +ATOM 10197 H1 WAT 3043 47.852 26.433 38.890 1.00 0.00 H +ATOM 10198 H2 WAT 3043 48.454 26.127 40.245 1.00 0.00 H +TER +ATOM 10199 O WAT 3044 47.914 22.950 46.954 1.00 0.00 O +ATOM 10200 H1 WAT 3044 47.501 23.775 47.208 1.00 0.00 H +ATOM 10201 H2 WAT 3044 47.181 22.364 46.762 1.00 0.00 H +TER +ATOM 10202 O WAT 3045 38.760 22.510 45.596 1.00 0.00 O +ATOM 10203 H1 WAT 3045 39.311 22.619 44.821 1.00 0.00 H +ATOM 10204 H2 WAT 3045 39.274 22.884 46.311 1.00 0.00 H +TER +ATOM 10205 O WAT 3046 48.604 32.996 47.642 1.00 0.00 O +ATOM 10206 H1 WAT 3046 48.127 33.803 47.449 1.00 0.00 H +ATOM 10207 H2 WAT 3046 47.920 32.343 47.795 1.00 0.00 H +TER +ATOM 10208 O WAT 3047 39.607 29.161 50.631 1.00 0.00 O +ATOM 10209 H1 WAT 3047 38.710 29.385 50.878 1.00 0.00 H +ATOM 10210 H2 WAT 3047 39.632 29.284 49.682 1.00 0.00 H +TER +ATOM 10211 O WAT 3048 46.648 26.010 36.545 1.00 0.00 O +ATOM 10212 H1 WAT 3048 47.087 25.172 36.398 1.00 0.00 H +ATOM 10213 H2 WAT 3048 47.360 26.643 36.631 1.00 0.00 H +TER +ATOM 10214 O WAT 3049 38.434 26.032 49.206 1.00 0.00 O +ATOM 10215 H1 WAT 3049 38.295 26.904 49.575 1.00 0.00 H +ATOM 10216 H2 WAT 3049 37.552 25.689 49.061 1.00 0.00 H +TER +ATOM 10217 O WAT 3050 40.232 31.974 51.415 1.00 0.00 O +ATOM 10218 H1 WAT 3050 40.204 32.378 50.548 1.00 0.00 H +ATOM 10219 H2 WAT 3050 40.069 31.045 51.252 1.00 0.00 H +TER +ATOM 10220 O WAT 3051 50.229 17.264 34.859 1.00 0.00 O +ATOM 10221 H1 WAT 3051 49.917 17.357 35.759 1.00 0.00 H +ATOM 10222 H2 WAT 3051 50.991 17.842 34.809 1.00 0.00 H +TER +ATOM 10223 O WAT 3052 52.184 32.757 52.711 1.00 0.00 O +ATOM 10224 H1 WAT 3052 52.660 33.235 53.390 1.00 0.00 H +ATOM 10225 H2 WAT 3052 52.804 32.688 51.986 1.00 0.00 H +TER +ATOM 10226 O WAT 3053 34.386 27.802 45.123 1.00 0.00 O +ATOM 10227 H1 WAT 3053 34.464 27.936 44.179 1.00 0.00 H +ATOM 10228 H2 WAT 3053 35.000 27.093 45.316 1.00 0.00 H +TER +ATOM 10229 O WAT 3054 51.587 29.948 49.871 1.00 0.00 O +ATOM 10230 H1 WAT 3054 51.713 29.709 48.953 1.00 0.00 H +ATOM 10231 H2 WAT 3054 51.629 29.116 50.343 1.00 0.00 H +TER +ATOM 10232 O WAT 3055 51.439 22.001 50.836 1.00 0.00 O +ATOM 10233 H1 WAT 3055 50.824 22.509 50.308 1.00 0.00 H +ATOM 10234 H2 WAT 3055 51.119 21.101 50.779 1.00 0.00 H +TER +ATOM 10235 O WAT 3056 34.442 28.843 47.663 1.00 0.00 O +ATOM 10236 H1 WAT 3056 34.605 28.374 46.845 1.00 0.00 H +ATOM 10237 H2 WAT 3056 34.907 28.335 48.328 1.00 0.00 H +TER +ATOM 10238 O WAT 3057 39.214 17.974 42.699 1.00 0.00 O +ATOM 10239 H1 WAT 3057 38.771 18.755 42.367 1.00 0.00 H +ATOM 10240 H2 WAT 3057 39.772 18.297 43.406 1.00 0.00 H +TER +ATOM 10241 O WAT 3058 43.501 20.840 48.302 1.00 0.00 O +ATOM 10242 H1 WAT 3058 43.039 21.049 49.114 1.00 0.00 H +ATOM 10243 H2 WAT 3058 43.099 20.026 47.999 1.00 0.00 H +TER +ATOM 10244 O WAT 3059 48.501 22.061 49.432 1.00 0.00 O +ATOM 10245 H1 WAT 3059 47.651 21.762 49.753 1.00 0.00 H +ATOM 10246 H2 WAT 3059 48.341 22.306 48.520 1.00 0.00 H +TER +ATOM 10247 O WAT 3060 45.596 23.562 51.532 1.00 0.00 O +ATOM 10248 H1 WAT 3060 45.922 22.728 51.192 1.00 0.00 H +ATOM 10249 H2 WAT 3060 46.384 24.084 51.680 1.00 0.00 H +TER +ATOM 10250 O WAT 3061 42.330 17.595 37.579 1.00 0.00 O +ATOM 10251 H1 WAT 3061 41.705 17.591 38.305 1.00 0.00 H +ATOM 10252 H2 WAT 3061 42.243 16.728 37.183 1.00 0.00 H +TER +ATOM 10253 O WAT 3062 41.251 18.518 44.558 1.00 0.00 O +ATOM 10254 H1 WAT 3062 41.549 19.425 44.477 1.00 0.00 H +ATOM 10255 H2 WAT 3062 41.800 18.030 43.944 1.00 0.00 H +TER +ATOM 10256 O WAT 3063 39.005 23.097 40.427 1.00 0.00 O +ATOM 10257 H1 WAT 3063 38.779 22.881 41.332 1.00 0.00 H +ATOM 10258 H2 WAT 3063 38.225 23.530 40.082 1.00 0.00 H +TER +ATOM 10259 O WAT 3064 46.235 23.103 39.026 1.00 0.00 O +ATOM 10260 H1 WAT 3064 45.636 23.827 38.842 1.00 0.00 H +ATOM 10261 H2 WAT 3064 46.783 23.041 38.244 1.00 0.00 H +TER +ATOM 10262 O WAT 3065 41.445 23.996 51.093 1.00 0.00 O +ATOM 10263 H1 WAT 3065 41.350 23.055 50.943 1.00 0.00 H +ATOM 10264 H2 WAT 3065 42.288 24.217 50.698 1.00 0.00 H +TER +ATOM 10265 O WAT 3066 44.842 21.740 41.056 1.00 0.00 O +ATOM 10266 H1 WAT 3066 45.235 22.057 40.243 1.00 0.00 H +ATOM 10267 H2 WAT 3066 45.203 20.861 41.171 1.00 0.00 H +TER +ATOM 10268 O WAT 3067 36.576 20.407 49.246 1.00 0.00 O +ATOM 10269 H1 WAT 3067 36.183 21.254 49.454 1.00 0.00 H +ATOM 10270 H2 WAT 3067 35.888 19.770 49.437 1.00 0.00 H +TER +ATOM 10271 O WAT 3068 43.151 20.490 52.316 1.00 0.00 O +ATOM 10272 H1 WAT 3068 42.461 20.298 52.951 1.00 0.00 H +ATOM 10273 H2 WAT 3068 43.894 20.774 52.849 1.00 0.00 H +TER +ATOM 10274 O WAT 3069 33.878 18.330 43.279 1.00 0.00 O +ATOM 10275 H1 WAT 3069 33.589 18.900 43.992 1.00 0.00 H +ATOM 10276 H2 WAT 3069 34.623 17.850 43.643 1.00 0.00 H +TER +ATOM 10277 O WAT 3070 45.427 24.330 45.151 1.00 0.00 O +ATOM 10278 H1 WAT 3070 44.695 24.839 45.500 1.00 0.00 H +ATOM 10279 H2 WAT 3070 45.030 23.513 44.850 1.00 0.00 H +TER +ATOM 10280 O WAT 3071 41.865 21.006 43.557 1.00 0.00 O +ATOM 10281 H1 WAT 3071 41.868 20.565 42.707 1.00 0.00 H +ATOM 10282 H2 WAT 3071 42.760 21.327 43.664 1.00 0.00 H +TER +ATOM 10283 O WAT 3072 37.715 20.888 42.516 1.00 0.00 O +ATOM 10284 H1 WAT 3072 37.375 21.366 43.273 1.00 0.00 H +ATOM 10285 H2 WAT 3072 36.953 20.435 42.156 1.00 0.00 H +TER +ATOM 10286 O WAT 3073 41.927 22.007 36.547 1.00 0.00 O +ATOM 10287 H1 WAT 3073 42.048 21.965 37.496 1.00 0.00 H +ATOM 10288 H2 WAT 3073 41.542 22.869 36.392 1.00 0.00 H +TER +ATOM 10289 O WAT 3074 45.890 19.784 44.564 1.00 0.00 O +ATOM 10290 H1 WAT 3074 45.907 20.234 45.408 1.00 0.00 H +ATOM 10291 H2 WAT 3074 45.641 18.884 44.777 1.00 0.00 H +TER +ATOM 10292 O WAT 3075 49.317 17.197 50.402 1.00 0.00 O +ATOM 10293 H1 WAT 3075 49.641 16.466 50.928 1.00 0.00 H +ATOM 10294 H2 WAT 3075 49.352 16.878 49.501 1.00 0.00 H +TER +ATOM 10295 O WAT 3076 36.016 28.218 49.822 1.00 0.00 O +ATOM 10296 H1 WAT 3076 35.631 27.578 50.421 1.00 0.00 H +ATOM 10297 H2 WAT 3076 36.327 28.922 50.392 1.00 0.00 H +TER +ATOM 10298 O WAT 3077 42.166 25.066 45.303 1.00 0.00 O +ATOM 10299 H1 WAT 3077 42.533 24.592 46.049 1.00 0.00 H +ATOM 10300 H2 WAT 3077 41.976 25.940 45.644 1.00 0.00 H +TER +ATOM 10301 O WAT 3078 35.030 19.810 41.433 1.00 0.00 O +ATOM 10302 H1 WAT 3078 34.744 19.446 42.270 1.00 0.00 H +ATOM 10303 H2 WAT 3078 34.968 19.078 40.819 1.00 0.00 H +TER +ATOM 10304 O WAT 3079 39.956 24.107 47.622 1.00 0.00 O +ATOM 10305 H1 WAT 3079 39.651 24.986 47.847 1.00 0.00 H +ATOM 10306 H2 WAT 3079 40.910 24.167 47.657 1.00 0.00 H +TER +ATOM 10307 O WAT 3080 49.243 27.309 44.011 1.00 0.00 O +ATOM 10308 H1 WAT 3080 49.962 27.805 43.621 1.00 0.00 H +ATOM 10309 H2 WAT 3080 49.041 26.631 43.366 1.00 0.00 H +TER +ATOM 10310 O WAT 3081 44.704 18.703 38.154 1.00 0.00 O +ATOM 10311 H1 WAT 3081 43.890 18.204 38.078 1.00 0.00 H +ATOM 10312 H2 WAT 3081 44.510 19.543 37.738 1.00 0.00 H +TER +ATOM 10313 O WAT 3082 44.624 27.380 49.898 1.00 0.00 O +ATOM 10314 H1 WAT 3082 44.558 26.460 49.644 1.00 0.00 H +ATOM 10315 H2 WAT 3082 43.995 27.478 50.612 1.00 0.00 H +TER +ATOM 10316 O WAT 3083 47.418 23.075 36.450 1.00 0.00 O +ATOM 10317 H1 WAT 3083 48.306 23.387 36.275 1.00 0.00 H +ATOM 10318 H2 WAT 3083 47.389 22.202 36.058 1.00 0.00 H +TER +ATOM 10319 O WAT 3084 36.012 24.947 48.769 1.00 0.00 O +ATOM 10320 H1 WAT 3084 35.653 25.612 49.356 1.00 0.00 H +ATOM 10321 H2 WAT 3084 35.717 24.115 49.140 1.00 0.00 H +TER +ATOM 10322 O WAT 3085 39.213 25.405 51.653 1.00 0.00 O +ATOM 10323 H1 WAT 3085 38.913 25.551 50.756 1.00 0.00 H +ATOM 10324 H2 WAT 3085 39.984 24.846 51.560 1.00 0.00 H +TER +ATOM 10325 O WAT 3086 44.556 30.202 49.648 1.00 0.00 O +ATOM 10326 H1 WAT 3086 44.571 29.270 49.430 1.00 0.00 H +ATOM 10327 H2 WAT 3086 43.849 30.288 50.287 1.00 0.00 H +TER +ATOM 10328 O WAT 3087 49.690 24.386 35.918 1.00 0.00 O +ATOM 10329 H1 WAT 3087 49.606 24.818 35.068 1.00 0.00 H +ATOM 10330 H2 WAT 3087 50.409 24.846 36.351 1.00 0.00 H +TER +ATOM 10331 O WAT 3088 50.767 26.843 48.995 1.00 0.00 O +ATOM 10332 H1 WAT 3088 50.042 27.436 48.798 1.00 0.00 H +ATOM 10333 H2 WAT 3088 51.295 26.835 48.196 1.00 0.00 H +TER +ATOM 10334 O WAT 3089 50.719 31.240 38.646 1.00 0.00 O +ATOM 10335 H1 WAT 3089 50.076 30.586 38.921 1.00 0.00 H +ATOM 10336 H2 WAT 3089 50.332 31.646 37.870 1.00 0.00 H +TER +ATOM 10337 O WAT 3090 37.587 16.677 39.985 1.00 0.00 O +ATOM 10338 H1 WAT 3090 37.459 16.669 40.934 1.00 0.00 H +ATOM 10339 H2 WAT 3090 36.764 17.015 39.634 1.00 0.00 H +TER +ATOM 10340 O WAT 3091 47.036 30.647 48.664 1.00 0.00 O +ATOM 10341 H1 WAT 3091 47.372 31.233 49.341 1.00 0.00 H +ATOM 10342 H2 WAT 3091 46.116 30.516 48.893 1.00 0.00 H +TER +ATOM 10343 O WAT 3092 34.587 18.436 49.446 1.00 0.00 O +ATOM 10344 H1 WAT 3092 33.873 18.636 50.051 1.00 0.00 H +ATOM 10345 H2 WAT 3092 35.006 17.660 49.818 1.00 0.00 H +TER +ATOM 10346 O WAT 3093 48.690 28.049 36.845 1.00 0.00 O +ATOM 10347 H1 WAT 3093 48.402 28.511 37.633 1.00 0.00 H +ATOM 10348 H2 WAT 3093 49.485 27.589 37.114 1.00 0.00 H +TER +ATOM 10349 O WAT 3094 34.874 32.424 50.433 1.00 0.00 O +ATOM 10350 H1 WAT 3094 34.983 31.484 50.292 1.00 0.00 H +ATOM 10351 H2 WAT 3094 34.222 32.690 49.784 1.00 0.00 H +TER +ATOM 10352 O WAT 3095 42.865 30.696 51.832 1.00 0.00 O +ATOM 10353 H1 WAT 3095 42.545 29.977 52.377 1.00 0.00 H +ATOM 10354 H2 WAT 3095 42.191 31.371 51.906 1.00 0.00 H +TER +ATOM 10355 O WAT 3096 46.081 20.929 47.196 1.00 0.00 O +ATOM 10356 H1 WAT 3096 46.449 20.108 47.524 1.00 0.00 H +ATOM 10357 H2 WAT 3096 45.220 20.989 47.612 1.00 0.00 H +TER +ATOM 10358 O WAT 3097 49.447 19.884 38.005 1.00 0.00 O +ATOM 10359 H1 WAT 3097 48.818 19.989 37.291 1.00 0.00 H +ATOM 10360 H2 WAT 3097 48.952 20.104 38.794 1.00 0.00 H +TER +ATOM 10361 O WAT 3098 41.415 22.163 39.421 1.00 0.00 O +ATOM 10362 H1 WAT 3098 40.707 22.631 39.862 1.00 0.00 H +ATOM 10363 H2 WAT 3098 41.700 21.505 40.055 1.00 0.00 H +TER +ATOM 10364 O WAT 3099 43.041 23.582 47.420 1.00 0.00 O +ATOM 10365 H1 WAT 3099 43.539 24.057 48.085 1.00 0.00 H +ATOM 10366 H2 WAT 3099 43.183 22.659 47.627 1.00 0.00 H +TER +ATOM 10367 O WAT 3100 45.447 18.888 40.860 1.00 0.00 O +ATOM 10368 H1 WAT 3100 45.324 18.906 39.911 1.00 0.00 H +ATOM 10369 H2 WAT 3100 46.395 18.936 40.980 1.00 0.00 H +TER +ATOM 10370 O WAT 3101 39.619 20.471 36.796 1.00 0.00 O +ATOM 10371 H1 WAT 3101 40.468 20.908 36.730 1.00 0.00 H +ATOM 10372 H2 WAT 3101 39.252 20.783 37.623 1.00 0.00 H +TER +ATOM 10373 O WAT 3102 50.248 19.799 48.263 1.00 0.00 O +ATOM 10374 H1 WAT 3102 49.745 20.540 48.602 1.00 0.00 H +ATOM 10375 H2 WAT 3102 51.063 20.188 47.946 1.00 0.00 H +TER +ATOM 10376 O WAT 3103 48.540 25.043 41.709 1.00 0.00 O +ATOM 10377 H1 WAT 3103 47.599 25.058 41.884 1.00 0.00 H +ATOM 10378 H2 WAT 3103 48.854 24.256 42.155 1.00 0.00 H +TER +ATOM 10379 O WAT 3104 50.542 32.213 43.384 1.00 0.00 O +ATOM 10380 H1 WAT 3104 50.667 33.037 43.857 1.00 0.00 H +ATOM 10381 H2 WAT 3104 51.409 32.003 43.037 1.00 0.00 H +TER +ATOM 10382 O WAT 3105 37.020 33.491 52.245 1.00 0.00 O +ATOM 10383 H1 WAT 3105 37.821 33.812 52.658 1.00 0.00 H +ATOM 10384 H2 WAT 3105 36.505 33.131 52.967 1.00 0.00 H +TER +ATOM 10385 O WAT 3106 45.856 29.599 52.192 1.00 0.00 O +ATOM 10386 H1 WAT 3106 45.250 29.622 51.452 1.00 0.00 H +ATOM 10387 H2 WAT 3106 45.552 28.867 52.729 1.00 0.00 H +TER +ATOM 10388 O WAT 3107 47.286 33.327 50.803 1.00 0.00 O +ATOM 10389 H1 WAT 3107 48.239 33.243 50.753 1.00 0.00 H +ATOM 10390 H2 WAT 3107 47.139 33.991 51.477 1.00 0.00 H +TER +ATOM 10391 O WAT 3108 34.740 25.979 51.188 1.00 0.00 O +ATOM 10392 H1 WAT 3108 35.244 25.399 51.760 1.00 0.00 H +ATOM 10393 H2 WAT 3108 34.000 26.263 51.726 1.00 0.00 H +TER +ATOM 10394 O WAT 3109 41.793 27.386 50.722 1.00 0.00 O +ATOM 10395 H1 WAT 3109 41.028 27.954 50.637 1.00 0.00 H +ATOM 10396 H2 WAT 3109 41.975 27.093 49.829 1.00 0.00 H +TER +ATOM 10397 O WAT 3110 44.882 27.762 35.347 1.00 0.00 O +ATOM 10398 H1 WAT 3110 44.333 28.209 35.991 1.00 0.00 H +ATOM 10399 H2 WAT 3110 45.504 27.257 35.871 1.00 0.00 H +TER +ATOM 10400 O WAT 3111 48.936 29.116 51.279 1.00 0.00 O +ATOM 10401 H1 WAT 3111 49.677 29.454 50.776 1.00 0.00 H +ATOM 10402 H2 WAT 3111 48.173 29.285 50.726 1.00 0.00 H +TER +ATOM 10403 O WAT 3112 36.772 24.121 52.083 1.00 0.00 O +ATOM 10404 H1 WAT 3112 36.813 23.823 52.992 1.00 0.00 H +ATOM 10405 H2 WAT 3112 37.627 24.522 51.924 1.00 0.00 H +TER +ATOM 10406 O WAT 3113 38.713 22.701 50.051 1.00 0.00 O +ATOM 10407 H1 WAT 3113 38.182 22.210 49.423 1.00 0.00 H +ATOM 10408 H2 WAT 3113 39.381 23.129 49.516 1.00 0.00 H +TER +ATOM 10409 O WAT 3114 47.610 27.168 49.815 1.00 0.00 O +ATOM 10410 H1 WAT 3114 48.024 27.322 50.664 1.00 0.00 H +ATOM 10411 H2 WAT 3114 46.675 27.293 49.977 1.00 0.00 H +TER +ATOM 10412 O WAT 3115 48.083 24.507 51.819 1.00 0.00 O +ATOM 10413 H1 WAT 3115 48.665 23.752 51.731 1.00 0.00 H +ATOM 10414 H2 WAT 3115 48.259 25.038 51.042 1.00 0.00 H +TER +ATOM 10415 O WAT 3116 39.200 19.667 50.130 1.00 0.00 O +ATOM 10416 H1 WAT 3116 39.105 19.049 49.406 1.00 0.00 H +ATOM 10417 H2 WAT 3116 38.620 20.394 49.903 1.00 0.00 H +TER +ATOM 10418 O WAT 3117 41.966 18.224 47.163 1.00 0.00 O +ATOM 10419 H1 WAT 3117 41.518 18.247 46.318 1.00 0.00 H +ATOM 10420 H2 WAT 3117 41.332 17.826 47.760 1.00 0.00 H +TER +ATOM 10421 O WAT 3118 42.372 27.120 47.784 1.00 0.00 O +ATOM 10422 H1 WAT 3118 42.791 27.963 47.612 1.00 0.00 H +ATOM 10423 H2 WAT 3118 41.453 27.257 47.555 1.00 0.00 H +TER +ATOM 10424 O WAT 3119 44.708 24.851 49.168 1.00 0.00 O +ATOM 10425 H1 WAT 3119 44.828 24.255 49.908 1.00 0.00 H +ATOM 10426 H2 WAT 3119 45.568 24.888 48.748 1.00 0.00 H +TER +ATOM 10427 O WAT 3120 47.047 25.405 47.744 1.00 0.00 O +ATOM 10428 H1 WAT 3120 46.521 25.929 47.141 1.00 0.00 H +ATOM 10429 H2 WAT 3120 47.390 26.038 48.375 1.00 0.00 H +TER +ATOM 10430 O WAT 3121 41.475 21.393 50.426 1.00 0.00 O +ATOM 10431 H1 WAT 3121 42.065 21.085 51.114 1.00 0.00 H +ATOM 10432 H2 WAT 3121 40.657 20.921 50.582 1.00 0.00 H +TER +ATOM 10433 O WAT 3122 46.295 21.010 50.659 1.00 0.00 O +ATOM 10434 H1 WAT 3122 45.606 20.348 50.594 1.00 0.00 H +ATOM 10435 H2 WAT 3122 47.015 20.564 51.104 1.00 0.00 H +TER +ATOM 10436 O WAT 3123 46.925 17.605 36.718 1.00 0.00 O +ATOM 10437 H1 WAT 3123 47.205 16.762 37.074 1.00 0.00 H +ATOM 10438 H2 WAT 3123 46.151 17.838 37.232 1.00 0.00 H +TER +ATOM 10439 O WAT 3124 41.462 18.838 35.163 1.00 0.00 O +ATOM 10440 H1 WAT 3124 41.115 18.160 34.583 1.00 0.00 H +ATOM 10441 H2 WAT 3124 41.664 18.377 35.977 1.00 0.00 H +TER +ATOM 10442 O WAT 3125 34.971 32.855 45.200 1.00 0.00 O +ATOM 10443 H1 WAT 3125 34.534 33.035 46.033 1.00 0.00 H +ATOM 10444 H2 WAT 3125 35.538 33.612 45.059 1.00 0.00 H +TER +ATOM 10445 O WAT 3126 50.607 32.356 49.488 1.00 0.00 O +ATOM 10446 H1 WAT 3126 50.007 32.416 48.745 1.00 0.00 H +ATOM 10447 H2 WAT 3126 50.736 31.417 49.618 1.00 0.00 H +TER +ATOM 10448 O WAT 3127 51.847 30.098 34.825 1.00 0.00 O +ATOM 10449 H1 WAT 3127 51.016 30.166 35.296 1.00 0.00 H +ATOM 10450 H2 WAT 3127 52.024 30.989 34.522 1.00 0.00 H +TER +ATOM 10451 O WAT 3128 51.303 26.843 37.328 1.00 0.00 O +ATOM 10452 H1 WAT 3128 52.065 27.413 37.434 1.00 0.00 H +ATOM 10453 H2 WAT 3128 51.318 26.276 38.099 1.00 0.00 H +TER +ATOM 10454 O WAT 3129 34.803 25.367 41.559 1.00 0.00 O +ATOM 10455 H1 WAT 3129 34.148 25.098 40.915 1.00 0.00 H +ATOM 10456 H2 WAT 3129 35.641 25.257 41.109 1.00 0.00 H +TER +ATOM 10457 O WAT 3130 52.309 27.698 42.173 1.00 0.00 O +ATOM 10458 H1 WAT 3130 52.679 26.915 41.766 1.00 0.00 H +ATOM 10459 H2 WAT 3130 52.949 28.387 41.994 1.00 0.00 H +TER +ATOM 10460 O WAT 3131 49.292 29.082 47.586 1.00 0.00 O +ATOM 10461 H1 WAT 3131 48.478 29.511 47.848 1.00 0.00 H +ATOM 10462 H2 WAT 3131 49.699 29.693 46.973 1.00 0.00 H +TER +ATOM 10463 O WAT 3132 51.355 27.136 34.486 1.00 0.00 O +ATOM 10464 H1 WAT 3132 51.629 28.044 34.358 1.00 0.00 H +ATOM 10465 H2 WAT 3132 51.166 27.073 35.422 1.00 0.00 H +TER +ATOM 10466 O WAT 3133 47.752 20.161 35.781 1.00 0.00 O +ATOM 10467 H1 WAT 3133 48.171 19.974 34.941 1.00 0.00 H +ATOM 10468 H2 WAT 3133 47.446 19.309 36.091 1.00 0.00 H +TER +ATOM 10469 O WAT 3134 51.251 25.073 39.479 1.00 0.00 O +ATOM 10470 H1 WAT 3134 50.875 24.306 39.047 1.00 0.00 H +ATOM 10471 H2 WAT 3134 50.521 25.455 39.966 1.00 0.00 H +TER +ATOM 10472 O WAT 3135 35.841 25.752 46.100 1.00 0.00 O +ATOM 10473 H1 WAT 3135 36.208 25.665 46.979 1.00 0.00 H +ATOM 10474 H2 WAT 3135 35.272 24.989 46.000 1.00 0.00 H +TER +ATOM 10475 O WAT 3136 50.641 24.220 49.113 1.00 0.00 O +ATOM 10476 H1 WAT 3136 50.410 23.992 48.212 1.00 0.00 H +ATOM 10477 H2 WAT 3136 50.901 25.140 49.067 1.00 0.00 H +TER +ATOM 10478 O WAT 3137 35.392 22.663 50.005 1.00 0.00 O +ATOM 10479 H1 WAT 3137 34.498 22.630 50.345 1.00 0.00 H +ATOM 10480 H2 WAT 3137 35.932 22.862 50.771 1.00 0.00 H +TER +ATOM 10481 O WAT 3138 49.080 19.446 51.891 1.00 0.00 O +ATOM 10482 H1 WAT 3138 49.957 19.454 52.274 1.00 0.00 H +ATOM 10483 H2 WAT 3138 49.092 18.709 51.280 1.00 0.00 H +TER +ATOM 10484 O WAT 3139 50.526 23.299 42.779 1.00 0.00 O +ATOM 10485 H1 WAT 3139 51.050 22.805 42.148 1.00 0.00 H +ATOM 10486 H2 WAT 3139 51.112 23.434 43.524 1.00 0.00 H +TER +ATOM 10487 O WAT 3140 50.705 23.383 46.301 1.00 0.00 O +ATOM 10488 H1 WAT 3140 49.755 23.349 46.416 1.00 0.00 H +ATOM 10489 H2 WAT 3140 50.886 24.293 46.066 1.00 0.00 H +TER +ATOM 10490 O WAT 3141 50.016 22.556 38.719 1.00 0.00 O +ATOM 10491 H1 WAT 3141 50.512 22.323 39.504 1.00 0.00 H +ATOM 10492 H2 WAT 3141 49.818 21.717 38.302 1.00 0.00 H +TER +ATOM 10493 O WAT 3142 35.896 16.938 44.354 1.00 0.00 O +ATOM 10494 H1 WAT 3142 36.544 16.387 43.913 1.00 0.00 H +ATOM 10495 H2 WAT 3142 36.316 17.192 45.175 1.00 0.00 H +TER +ATOM 10496 O WAT 3143 51.445 21.192 41.252 1.00 0.00 O +ATOM 10497 H1 WAT 3143 51.335 21.038 42.191 1.00 0.00 H +ATOM 10498 H2 WAT 3143 52.206 20.664 41.010 1.00 0.00 H +TER +ATOM 10499 O WAT 3144 49.791 17.132 47.711 1.00 0.00 O +ATOM 10500 H1 WAT 3144 50.429 17.745 48.077 1.00 0.00 H +ATOM 10501 H2 WAT 3144 49.939 17.168 46.766 1.00 0.00 H +TER +ATOM 10502 O WAT 3145 52.334 19.023 34.493 1.00 0.00 O +ATOM 10503 H1 WAT 3145 53.259 18.891 34.285 1.00 0.00 H +ATOM 10504 H2 WAT 3145 52.311 19.102 35.447 1.00 0.00 H +TER +ATOM 10505 O WAT 3146 52.408 19.794 37.119 1.00 0.00 O +ATOM 10506 H1 WAT 3146 51.613 19.729 37.648 1.00 0.00 H +ATOM 10507 H2 WAT 3146 52.612 20.729 37.107 1.00 0.00 H +TER +ATOM 10508 O WAT 3147 49.350 33.833 41.113 1.00 0.00 O +ATOM 10509 H1 WAT 3147 49.945 33.512 40.436 1.00 0.00 H +ATOM 10510 H2 WAT 3147 49.607 33.361 41.904 1.00 0.00 H +TER +ATOM 10511 O WAT 3148 35.649 17.093 47.096 1.00 0.00 O +ATOM 10512 H1 WAT 3148 35.301 17.550 47.862 1.00 0.00 H +ATOM 10513 H2 WAT 3148 35.318 16.199 47.179 1.00 0.00 H +TER +ATOM 10514 O WAT 3149 37.256 30.265 51.262 1.00 0.00 O +ATOM 10515 H1 WAT 3149 37.213 29.894 52.143 1.00 0.00 H +ATOM 10516 H2 WAT 3149 37.387 31.203 51.402 1.00 0.00 H +TER +ATOM 10517 O WAT 3150 43.162 18.284 50.618 1.00 0.00 O +ATOM 10518 H1 WAT 3150 43.101 18.877 51.368 1.00 0.00 H +ATOM 10519 H2 WAT 3150 44.102 18.177 50.473 1.00 0.00 H +TER +ATOM 10520 O WAT 3151 45.799 17.941 50.257 1.00 0.00 O +ATOM 10521 H1 WAT 3151 46.413 18.259 49.596 1.00 0.00 H +ATOM 10522 H2 WAT 3151 46.344 17.456 50.877 1.00 0.00 H +TER +ATOM 10523 O WAT 3152 52.217 33.841 47.664 1.00 0.00 O +ATOM 10524 H1 WAT 3152 51.723 34.237 46.946 1.00 0.00 H +ATOM 10525 H2 WAT 3152 51.608 33.216 48.057 1.00 0.00 H +TER +ATOM 10526 O WAT 3153 36.321 16.621 50.371 1.00 0.00 O +ATOM 10527 H1 WAT 3153 36.870 16.440 49.608 1.00 0.00 H +ATOM 10528 H2 WAT 3153 36.387 15.830 50.907 1.00 0.00 H +TER +ATOM 10529 O WAT 3154 37.095 33.211 48.381 1.00 0.00 O +ATOM 10530 H1 WAT 3154 36.501 33.080 49.120 1.00 0.00 H +ATOM 10531 H2 WAT 3154 37.087 32.375 47.916 1.00 0.00 H +TER +ATOM 10532 O WAT 3155 46.540 16.505 46.584 1.00 0.00 O +ATOM 10533 H1 WAT 3155 45.666 16.838 46.382 1.00 0.00 H +ATOM 10534 H2 WAT 3155 46.431 16.032 47.410 1.00 0.00 H +TER +ATOM 10535 O WAT 3156 47.447 18.712 47.969 1.00 0.00 O +ATOM 10536 H1 WAT 3156 47.119 17.897 47.589 1.00 0.00 H +ATOM 10537 H2 WAT 3156 48.396 18.669 47.845 1.00 0.00 H +TER +ATOM 10538 O WAT 3157 49.901 34.483 44.942 1.00 0.00 O +ATOM 10539 H1 WAT 3157 49.441 35.235 44.568 1.00 0.00 H +ATOM 10540 H2 WAT 3157 49.272 33.764 44.884 1.00 0.00 H +TER +ATOM 10541 O WAT 3158 36.726 30.577 47.332 1.00 0.00 O +ATOM 10542 H1 WAT 3158 35.999 29.958 47.265 1.00 0.00 H +ATOM 10543 H2 WAT 3158 36.787 30.971 46.462 1.00 0.00 H +TER +ATOM 10544 O WAT 3159 44.288 17.422 45.524 1.00 0.00 O +ATOM 10545 H1 WAT 3159 43.505 17.896 45.803 1.00 0.00 H +ATOM 10546 H2 WAT 3159 43.994 16.517 45.415 1.00 0.00 H +TER +ATOM 10547 O WAT 3160 48.840 18.124 43.569 1.00 0.00 O +ATOM 10548 H1 WAT 3160 49.281 18.068 42.721 1.00 0.00 H +ATOM 10549 H2 WAT 3160 48.571 19.040 43.640 1.00 0.00 H +TER +ATOM 10550 O WAT 3161 50.704 17.755 41.579 1.00 0.00 O +ATOM 10551 H1 WAT 3161 50.642 16.812 41.433 1.00 0.00 H +ATOM 10552 H2 WAT 3161 51.483 17.863 42.125 1.00 0.00 H +TER +ATOM 10553 O WAT 3162 42.173 19.840 41.035 1.00 0.00 O +ATOM 10554 H1 WAT 3162 41.361 19.466 40.695 1.00 0.00 H +ATOM 10555 H2 WAT 3162 42.677 19.085 41.337 1.00 0.00 H +TER +ATOM 10556 O WAT 3163 46.676 16.505 42.274 1.00 0.00 O +ATOM 10557 H1 WAT 3163 47.278 17.077 42.748 1.00 0.00 H +ATOM 10558 H2 WAT 3163 45.935 17.068 42.051 1.00 0.00 H +TER +ATOM 10559 O WAT 3164 49.819 16.907 37.548 1.00 0.00 O +ATOM 10560 H1 WAT 3164 50.014 17.805 37.814 1.00 0.00 H +ATOM 10561 H2 WAT 3164 49.032 16.675 38.041 1.00 0.00 H +TER +ATOM 10562 O WAT 3165 38.004 18.253 36.585 1.00 0.00 O +ATOM 10563 H1 WAT 3165 38.533 17.466 36.456 1.00 0.00 H +ATOM 10564 H2 WAT 3165 38.637 18.932 36.819 1.00 0.00 H +TER +ATOM 10565 O WAT 3166 40.198 17.990 39.640 1.00 0.00 O +ATOM 10566 H1 WAT 3166 39.568 17.289 39.807 1.00 0.00 H +ATOM 10567 H2 WAT 3166 39.658 18.751 39.423 1.00 0.00 H +TER +ATOM 10568 O WAT 3167 51.372 34.147 39.308 1.00 0.00 O +ATOM 10569 H1 WAT 3167 51.547 33.461 38.664 1.00 0.00 H +ATOM 10570 H2 WAT 3167 50.674 34.671 38.916 1.00 0.00 H +TER +ATOM 10571 O WAT 3168 40.324 17.269 52.075 1.00 0.00 O +ATOM 10572 H1 WAT 3168 40.042 17.772 51.311 1.00 0.00 H +ATOM 10573 H2 WAT 3168 40.706 16.471 51.709 1.00 0.00 H +TER +ATOM 10574 O WAT 3169 46.925 16.684 52.653 1.00 0.00 O +ATOM 10575 H1 WAT 3169 46.812 17.004 53.548 1.00 0.00 H +ATOM 10576 H2 WAT 3169 47.742 17.085 52.357 1.00 0.00 H +TER +ATOM 10577 O WAT 3170 49.705 33.831 52.135 1.00 0.00 O +ATOM 10578 H1 WAT 3170 50.497 33.336 51.928 1.00 0.00 H +ATOM 10579 H2 WAT 3170 49.998 34.510 52.743 1.00 0.00 H +TER +ATOM 10580 O WAT 3171 45.831 24.703 23.017 1.00 0.00 O +ATOM 10581 H1 WAT 3171 45.750 23.789 22.746 1.00 0.00 H +ATOM 10582 H2 WAT 3171 45.417 25.200 22.311 1.00 0.00 H +TER +ATOM 10583 O WAT 3172 43.963 26.481 24.897 1.00 0.00 O +ATOM 10584 H1 WAT 3172 43.187 26.001 25.187 1.00 0.00 H +ATOM 10585 H2 WAT 3172 44.614 25.802 24.723 1.00 0.00 H +TER +ATOM 10586 O WAT 3173 36.388 21.753 19.559 1.00 0.00 O +ATOM 10587 H1 WAT 3173 35.500 22.095 19.457 1.00 0.00 H +ATOM 10588 H2 WAT 3173 36.673 21.553 18.667 1.00 0.00 H +TER +ATOM 10589 O WAT 3174 34.352 24.354 25.443 1.00 0.00 O +ATOM 10590 H1 WAT 3174 34.923 23.586 25.444 1.00 0.00 H +ATOM 10591 H2 WAT 3174 34.352 24.653 24.534 1.00 0.00 H +TER +ATOM 10592 O WAT 3175 43.404 29.157 24.905 1.00 0.00 O +ATOM 10593 H1 WAT 3175 43.334 28.216 24.743 1.00 0.00 H +ATOM 10594 H2 WAT 3175 44.166 29.247 25.477 1.00 0.00 H +TER +ATOM 10595 O WAT 3176 35.594 19.762 27.230 1.00 0.00 O +ATOM 10596 H1 WAT 3176 35.415 18.865 27.510 1.00 0.00 H +ATOM 10597 H2 WAT 3176 35.192 20.310 27.905 1.00 0.00 H +TER +ATOM 10598 O WAT 3177 44.434 21.964 25.131 1.00 0.00 O +ATOM 10599 H1 WAT 3177 44.811 21.091 25.019 1.00 0.00 H +ATOM 10600 H2 WAT 3177 44.336 22.300 24.240 1.00 0.00 H +TER +ATOM 10601 O WAT 3178 38.565 20.337 20.593 1.00 0.00 O +ATOM 10602 H1 WAT 3178 38.671 21.237 20.900 1.00 0.00 H +ATOM 10603 H2 WAT 3178 37.654 20.288 20.303 1.00 0.00 H +TER +ATOM 10604 O WAT 3179 48.217 19.459 22.064 1.00 0.00 O +ATOM 10605 H1 WAT 3179 49.037 18.969 22.107 1.00 0.00 H +ATOM 10606 H2 WAT 3179 48.250 20.049 22.817 1.00 0.00 H +TER +ATOM 10607 O WAT 3180 36.213 22.258 25.838 1.00 0.00 O +ATOM 10608 H1 WAT 3180 36.894 22.522 26.457 1.00 0.00 H +ATOM 10609 H2 WAT 3180 35.898 21.418 26.172 1.00 0.00 H +TER +ATOM 10610 O WAT 3181 40.405 23.305 24.926 1.00 0.00 O +ATOM 10611 H1 WAT 3181 40.913 23.803 25.566 1.00 0.00 H +ATOM 10612 H2 WAT 3181 40.937 22.529 24.750 1.00 0.00 H +TER +ATOM 10613 O WAT 3182 52.506 21.476 28.629 1.00 0.00 O +ATOM 10614 H1 WAT 3182 51.802 21.864 28.110 1.00 0.00 H +ATOM 10615 H2 WAT 3182 52.772 22.171 29.231 1.00 0.00 H +TER +ATOM 10616 O WAT 3183 38.689 17.945 29.192 1.00 0.00 O +ATOM 10617 H1 WAT 3183 38.691 18.462 28.387 1.00 0.00 H +ATOM 10618 H2 WAT 3183 37.859 17.468 29.169 1.00 0.00 H +TER +ATOM 10619 O WAT 3184 45.076 28.057 20.691 1.00 0.00 O +ATOM 10620 H1 WAT 3184 44.458 28.522 20.127 1.00 0.00 H +ATOM 10621 H2 WAT 3184 45.588 28.750 21.108 1.00 0.00 H +TER +ATOM 10622 O WAT 3185 48.453 21.399 24.837 1.00 0.00 O +ATOM 10623 H1 WAT 3185 47.748 21.688 25.417 1.00 0.00 H +ATOM 10624 H2 WAT 3185 48.814 22.209 24.477 1.00 0.00 H +TER +ATOM 10625 O WAT 3186 38.371 19.656 27.199 1.00 0.00 O +ATOM 10626 H1 WAT 3186 38.712 20.500 26.904 1.00 0.00 H +ATOM 10627 H2 WAT 3186 37.432 19.804 27.316 1.00 0.00 H +TER +ATOM 10628 O WAT 3187 34.444 28.743 18.065 1.00 0.00 O +ATOM 10629 H1 WAT 3187 34.067 29.231 17.333 1.00 0.00 H +ATOM 10630 H2 WAT 3187 34.702 29.415 18.696 1.00 0.00 H +TER +ATOM 10631 O WAT 3188 50.069 31.017 27.100 1.00 0.00 O +ATOM 10632 H1 WAT 3188 49.385 31.686 27.091 1.00 0.00 H +ATOM 10633 H2 WAT 3188 50.608 31.215 26.334 1.00 0.00 H +TER +ATOM 10634 O WAT 3189 51.521 20.845 25.228 1.00 0.00 O +ATOM 10635 H1 WAT 3189 50.574 20.878 25.359 1.00 0.00 H +ATOM 10636 H2 WAT 3189 51.846 21.658 25.613 1.00 0.00 H +TER +ATOM 10637 O WAT 3190 42.053 17.144 23.524 1.00 0.00 O +ATOM 10638 H1 WAT 3190 42.361 16.589 22.807 1.00 0.00 H +ATOM 10639 H2 WAT 3190 41.123 17.279 23.341 1.00 0.00 H +TER +ATOM 10640 O WAT 3191 48.899 29.583 20.903 1.00 0.00 O +ATOM 10641 H1 WAT 3191 48.789 28.640 21.028 1.00 0.00 H +ATOM 10642 H2 WAT 3191 48.896 29.944 21.790 1.00 0.00 H +TER +ATOM 10643 O WAT 3192 47.003 27.764 27.143 1.00 0.00 O +ATOM 10644 H1 WAT 3192 47.420 27.550 26.308 1.00 0.00 H +ATOM 10645 H2 WAT 3192 47.727 28.021 27.713 1.00 0.00 H +TER +ATOM 10646 O WAT 3193 44.441 25.209 20.260 1.00 0.00 O +ATOM 10647 H1 WAT 3193 43.514 25.143 20.488 1.00 0.00 H +ATOM 10648 H2 WAT 3193 44.594 26.147 20.145 1.00 0.00 H +TER +ATOM 10649 O WAT 3194 44.428 21.481 17.256 1.00 0.00 O +ATOM 10650 H1 WAT 3194 43.489 21.642 17.341 1.00 0.00 H +ATOM 10651 H2 WAT 3194 44.747 22.199 16.710 1.00 0.00 H +TER +ATOM 10652 O WAT 3195 50.950 26.163 27.234 1.00 0.00 O +ATOM 10653 H1 WAT 3195 50.121 26.232 26.759 1.00 0.00 H +ATOM 10654 H2 WAT 3195 51.545 26.748 26.766 1.00 0.00 H +TER +ATOM 10655 O WAT 3196 48.471 26.771 20.763 1.00 0.00 O +ATOM 10656 H1 WAT 3196 47.852 26.433 20.116 1.00 0.00 H +ATOM 10657 H2 WAT 3196 48.454 26.127 21.471 1.00 0.00 H +TER +ATOM 10658 O WAT 3197 47.914 22.950 28.180 1.00 0.00 O +ATOM 10659 H1 WAT 3197 47.501 23.775 28.434 1.00 0.00 H +ATOM 10660 H2 WAT 3197 47.181 22.364 27.987 1.00 0.00 H +TER +ATOM 10661 O WAT 3198 40.047 25.736 23.041 1.00 0.00 O +ATOM 10662 H1 WAT 3198 39.643 25.023 22.546 1.00 0.00 H +ATOM 10663 H2 WAT 3198 40.133 25.391 23.930 1.00 0.00 H +TER +ATOM 10664 O WAT 3199 38.760 22.510 26.821 1.00 0.00 O +ATOM 10665 H1 WAT 3199 39.311 22.619 26.047 1.00 0.00 H +ATOM 10666 H2 WAT 3199 39.274 22.884 27.537 1.00 0.00 H +TER +ATOM 10667 O WAT 3200 46.648 26.010 17.770 1.00 0.00 O +ATOM 10668 H1 WAT 3200 47.087 25.172 17.624 1.00 0.00 H +ATOM 10669 H2 WAT 3200 47.360 26.643 17.857 1.00 0.00 H +TER +ATOM 10670 O WAT 3201 50.229 17.264 16.084 1.00 0.00 O +ATOM 10671 H1 WAT 3201 49.917 17.357 16.984 1.00 0.00 H +ATOM 10672 H2 WAT 3201 50.991 17.842 16.034 1.00 0.00 H +TER +ATOM 10673 O WAT 3202 36.748 24.630 20.542 1.00 0.00 O +ATOM 10674 H1 WAT 3202 36.627 25.356 19.930 1.00 0.00 H +ATOM 10675 H2 WAT 3202 36.438 23.860 20.065 1.00 0.00 H +TER +ATOM 10676 O WAT 3203 52.184 32.757 33.937 1.00 0.00 O +ATOM 10677 H1 WAT 3203 52.660 33.235 34.616 1.00 0.00 H +ATOM 10678 H2 WAT 3203 52.804 32.688 33.211 1.00 0.00 H +TER +ATOM 10679 O WAT 3204 35.631 29.502 22.760 1.00 0.00 O +ATOM 10680 H1 WAT 3204 35.224 29.643 21.905 1.00 0.00 H +ATOM 10681 H2 WAT 3204 36.522 29.218 22.557 1.00 0.00 H +TER +ATOM 10682 O WAT 3205 51.587 29.948 31.097 1.00 0.00 O +ATOM 10683 H1 WAT 3205 51.713 29.709 30.179 1.00 0.00 H +ATOM 10684 H2 WAT 3205 51.629 29.116 31.569 1.00 0.00 H +TER +ATOM 10685 O WAT 3206 51.439 22.001 32.062 1.00 0.00 O +ATOM 10686 H1 WAT 3206 50.824 22.509 31.533 1.00 0.00 H +ATOM 10687 H2 WAT 3206 51.119 21.101 32.004 1.00 0.00 H +TER +ATOM 10688 O WAT 3207 39.214 17.974 23.925 1.00 0.00 O +ATOM 10689 H1 WAT 3207 38.771 18.755 23.593 1.00 0.00 H +ATOM 10690 H2 WAT 3207 39.772 18.297 24.632 1.00 0.00 H +TER +ATOM 10691 O WAT 3208 43.501 20.840 29.528 1.00 0.00 O +ATOM 10692 H1 WAT 3208 43.039 21.049 30.340 1.00 0.00 H +ATOM 10693 H2 WAT 3208 43.099 20.026 29.225 1.00 0.00 H +TER +ATOM 10694 O WAT 3209 48.501 22.061 30.658 1.00 0.00 O +ATOM 10695 H1 WAT 3209 47.651 21.762 30.979 1.00 0.00 H +ATOM 10696 H2 WAT 3209 48.341 22.306 29.746 1.00 0.00 H +TER +ATOM 10697 O WAT 3210 45.596 23.562 32.758 1.00 0.00 O +ATOM 10698 H1 WAT 3210 45.922 22.728 32.418 1.00 0.00 H +ATOM 10699 H2 WAT 3210 46.384 24.084 32.905 1.00 0.00 H +TER +ATOM 10700 O WAT 3211 42.330 17.595 18.805 1.00 0.00 O +ATOM 10701 H1 WAT 3211 41.705 17.591 19.530 1.00 0.00 H +ATOM 10702 H2 WAT 3211 42.243 16.728 18.409 1.00 0.00 H +TER +ATOM 10703 O WAT 3212 41.251 18.518 25.783 1.00 0.00 O +ATOM 10704 H1 WAT 3212 41.549 19.425 25.703 1.00 0.00 H +ATOM 10705 H2 WAT 3212 41.800 18.030 25.169 1.00 0.00 H +TER +ATOM 10706 O WAT 3213 39.005 23.097 21.653 1.00 0.00 O +ATOM 10707 H1 WAT 3213 38.779 22.881 22.557 1.00 0.00 H +ATOM 10708 H2 WAT 3213 38.225 23.530 21.307 1.00 0.00 H +TER +ATOM 10709 O WAT 3214 46.235 23.103 20.252 1.00 0.00 O +ATOM 10710 H1 WAT 3214 45.636 23.827 20.068 1.00 0.00 H +ATOM 10711 H2 WAT 3214 46.783 23.041 19.469 1.00 0.00 H +TER +ATOM 10712 O WAT 3215 44.842 21.740 22.282 1.00 0.00 O +ATOM 10713 H1 WAT 3215 45.235 22.057 21.469 1.00 0.00 H +ATOM 10714 H2 WAT 3215 45.203 20.861 22.396 1.00 0.00 H +TER +ATOM 10715 O WAT 3216 43.151 20.490 33.542 1.00 0.00 O +ATOM 10716 H1 WAT 3216 42.461 20.298 34.176 1.00 0.00 H +ATOM 10717 H2 WAT 3216 43.894 20.774 34.074 1.00 0.00 H +TER +ATOM 10718 O WAT 3217 33.878 18.330 24.505 1.00 0.00 O +ATOM 10719 H1 WAT 3217 33.589 18.900 25.218 1.00 0.00 H +ATOM 10720 H2 WAT 3217 34.623 17.850 24.868 1.00 0.00 H +TER +ATOM 10721 O WAT 3218 34.065 22.272 15.715 1.00 0.00 O +ATOM 10722 H1 WAT 3218 33.982 23.215 15.857 1.00 0.00 H +ATOM 10723 H2 WAT 3218 33.713 22.129 14.837 1.00 0.00 H +TER +ATOM 10724 O WAT 3219 45.427 24.330 26.377 1.00 0.00 O +ATOM 10725 H1 WAT 3219 44.695 24.839 26.726 1.00 0.00 H +ATOM 10726 H2 WAT 3219 45.030 23.513 26.076 1.00 0.00 H +TER +ATOM 10727 O WAT 3220 41.865 21.006 24.782 1.00 0.00 O +ATOM 10728 H1 WAT 3220 41.868 20.565 23.933 1.00 0.00 H +ATOM 10729 H2 WAT 3220 42.760 21.327 24.890 1.00 0.00 H +TER +ATOM 10730 O WAT 3221 37.715 20.888 23.742 1.00 0.00 O +ATOM 10731 H1 WAT 3221 37.375 21.366 24.498 1.00 0.00 H +ATOM 10732 H2 WAT 3221 36.953 20.435 23.382 1.00 0.00 H +TER +ATOM 10733 O WAT 3222 41.927 22.007 17.773 1.00 0.00 O +ATOM 10734 H1 WAT 3222 42.048 21.965 18.722 1.00 0.00 H +ATOM 10735 H2 WAT 3222 41.542 22.869 17.618 1.00 0.00 H +TER +ATOM 10736 O WAT 3223 45.890 19.784 25.789 1.00 0.00 O +ATOM 10737 H1 WAT 3223 45.907 20.234 26.634 1.00 0.00 H +ATOM 10738 H2 WAT 3223 45.641 18.884 26.003 1.00 0.00 H +TER +ATOM 10739 O WAT 3224 40.939 24.317 17.171 1.00 0.00 O +ATOM 10740 H1 WAT 3224 40.371 23.869 16.545 1.00 0.00 H +ATOM 10741 H2 WAT 3224 41.648 24.676 16.638 1.00 0.00 H +TER +ATOM 10742 O WAT 3225 49.317 17.197 31.628 1.00 0.00 O +ATOM 10743 H1 WAT 3225 49.641 16.466 32.154 1.00 0.00 H +ATOM 10744 H2 WAT 3225 49.352 16.878 30.726 1.00 0.00 H +TER +ATOM 10745 O WAT 3226 42.166 25.066 26.529 1.00 0.00 O +ATOM 10746 H1 WAT 3226 42.533 24.592 27.275 1.00 0.00 H +ATOM 10747 H2 WAT 3226 41.976 25.940 26.870 1.00 0.00 H +TER +ATOM 10748 O WAT 3227 35.030 19.810 22.658 1.00 0.00 O +ATOM 10749 H1 WAT 3227 34.744 19.446 23.496 1.00 0.00 H +ATOM 10750 H2 WAT 3227 34.968 19.078 22.045 1.00 0.00 H +TER +ATOM 10751 O WAT 3228 38.484 28.313 19.444 1.00 0.00 O +ATOM 10752 H1 WAT 3228 37.710 27.773 19.284 1.00 0.00 H +ATOM 10753 H2 WAT 3228 39.213 27.793 19.106 1.00 0.00 H +TER +ATOM 10754 O WAT 3229 49.243 27.309 25.237 1.00 0.00 O +ATOM 10755 H1 WAT 3229 49.962 27.805 24.846 1.00 0.00 H +ATOM 10756 H2 WAT 3229 49.041 26.631 24.592 1.00 0.00 H +TER +ATOM 10757 O WAT 3230 44.704 18.703 19.380 1.00 0.00 O +ATOM 10758 H1 WAT 3230 43.890 18.204 19.304 1.00 0.00 H +ATOM 10759 H2 WAT 3230 44.510 19.543 18.963 1.00 0.00 H +TER +ATOM 10760 O WAT 3231 44.624 27.380 31.124 1.00 0.00 O +ATOM 10761 H1 WAT 3231 44.558 26.460 30.869 1.00 0.00 H +ATOM 10762 H2 WAT 3231 43.995 27.478 31.838 1.00 0.00 H +TER +ATOM 10763 O WAT 3232 47.418 23.075 17.676 1.00 0.00 O +ATOM 10764 H1 WAT 3232 48.306 23.387 17.501 1.00 0.00 H +ATOM 10765 H2 WAT 3232 47.389 22.202 17.284 1.00 0.00 H +TER +ATOM 10766 O WAT 3233 38.527 27.981 23.082 1.00 0.00 O +ATOM 10767 H1 WAT 3233 39.045 27.178 23.028 1.00 0.00 H +ATOM 10768 H2 WAT 3233 38.076 27.919 23.924 1.00 0.00 H +TER +ATOM 10769 O WAT 3234 43.414 29.247 18.355 1.00 0.00 O +ATOM 10770 H1 WAT 3234 43.756 29.992 17.859 1.00 0.00 H +ATOM 10771 H2 WAT 3234 42.586 29.561 18.717 1.00 0.00 H +TER +ATOM 10772 O WAT 3235 49.690 24.386 17.144 1.00 0.00 O +ATOM 10773 H1 WAT 3235 49.606 24.818 16.293 1.00 0.00 H +ATOM 10774 H2 WAT 3235 50.409 24.846 17.576 1.00 0.00 H +TER +ATOM 10775 O WAT 3236 50.767 26.843 30.221 1.00 0.00 O +ATOM 10776 H1 WAT 3236 50.042 27.436 30.024 1.00 0.00 H +ATOM 10777 H2 WAT 3236 51.295 26.835 29.422 1.00 0.00 H +TER +ATOM 10778 O WAT 3237 50.719 31.240 19.872 1.00 0.00 O +ATOM 10779 H1 WAT 3237 50.076 30.586 20.146 1.00 0.00 H +ATOM 10780 H2 WAT 3237 50.332 31.646 19.096 1.00 0.00 H +TER +ATOM 10781 O WAT 3238 46.297 28.569 23.719 1.00 0.00 O +ATOM 10782 H1 WAT 3238 46.650 27.972 23.059 1.00 0.00 H +ATOM 10783 H2 WAT 3238 45.413 28.243 23.890 1.00 0.00 H +TER +ATOM 10784 O WAT 3239 42.383 29.329 21.126 1.00 0.00 O +ATOM 10785 H1 WAT 3239 43.071 29.876 21.507 1.00 0.00 H +ATOM 10786 H2 WAT 3239 41.597 29.873 21.161 1.00 0.00 H +TER +ATOM 10787 O WAT 3240 34.523 24.946 16.618 1.00 0.00 O +ATOM 10788 H1 WAT 3240 35.392 25.229 16.902 1.00 0.00 H +ATOM 10789 H2 WAT 3240 34.032 25.760 16.503 1.00 0.00 H +TER +ATOM 10790 O WAT 3241 41.686 26.333 20.739 1.00 0.00 O +ATOM 10791 H1 WAT 3241 42.142 27.144 20.965 1.00 0.00 H +ATOM 10792 H2 WAT 3241 41.335 26.016 21.571 1.00 0.00 H +TER +ATOM 10793 O WAT 3242 37.587 16.677 21.211 1.00 0.00 O +ATOM 10794 H1 WAT 3242 37.459 16.669 22.160 1.00 0.00 H +ATOM 10795 H2 WAT 3242 36.764 17.015 20.860 1.00 0.00 H +TER +ATOM 10796 O WAT 3243 45.263 29.847 26.686 1.00 0.00 O +ATOM 10797 H1 WAT 3243 45.905 29.147 26.799 1.00 0.00 H +ATOM 10798 H2 WAT 3243 45.788 30.627 26.505 1.00 0.00 H +TER +ATOM 10799 O WAT 3244 49.108 30.132 16.410 1.00 0.00 O +ATOM 10800 H1 WAT 3244 48.882 29.415 17.002 1.00 0.00 H +ATOM 10801 H2 WAT 3244 48.718 29.883 15.572 1.00 0.00 H +TER +ATOM 10802 O WAT 3245 34.890 34.159 17.184 1.00 0.00 O +ATOM 10803 H1 WAT 3245 35.250 34.758 16.530 1.00 0.00 H +ATOM 10804 H2 WAT 3245 34.749 34.705 17.958 1.00 0.00 H +TER +ATOM 10805 O WAT 3246 48.690 28.049 18.071 1.00 0.00 O +ATOM 10806 H1 WAT 3246 48.402 28.511 18.859 1.00 0.00 H +ATOM 10807 H2 WAT 3246 49.485 27.589 18.339 1.00 0.00 H +TER +ATOM 10808 O WAT 3247 36.507 26.763 18.746 1.00 0.00 O +ATOM 10809 H1 WAT 3247 35.900 27.503 18.756 1.00 0.00 H +ATOM 10810 H2 WAT 3247 36.982 26.853 17.920 1.00 0.00 H +TER +ATOM 10811 O WAT 3248 46.081 20.929 28.422 1.00 0.00 O +ATOM 10812 H1 WAT 3248 46.449 20.108 28.750 1.00 0.00 H +ATOM 10813 H2 WAT 3248 45.220 20.989 28.837 1.00 0.00 H +TER +ATOM 10814 O WAT 3249 49.447 19.884 19.231 1.00 0.00 O +ATOM 10815 H1 WAT 3249 48.818 19.989 18.516 1.00 0.00 H +ATOM 10816 H2 WAT 3249 48.952 20.104 20.020 1.00 0.00 H +TER +ATOM 10817 O WAT 3250 41.415 22.163 20.646 1.00 0.00 O +ATOM 10818 H1 WAT 3250 40.707 22.631 21.088 1.00 0.00 H +ATOM 10819 H2 WAT 3250 41.700 21.505 21.281 1.00 0.00 H +TER +ATOM 10820 O WAT 3251 43.041 23.582 28.646 1.00 0.00 O +ATOM 10821 H1 WAT 3251 43.539 24.057 29.311 1.00 0.00 H +ATOM 10822 H2 WAT 3251 43.183 22.659 28.853 1.00 0.00 H +TER +ATOM 10823 O WAT 3252 45.447 18.888 22.086 1.00 0.00 O +ATOM 10824 H1 WAT 3252 45.324 18.906 21.137 1.00 0.00 H +ATOM 10825 H2 WAT 3252 46.395 18.936 22.206 1.00 0.00 H +TER +ATOM 10826 O WAT 3253 39.619 20.471 18.021 1.00 0.00 O +ATOM 10827 H1 WAT 3253 40.468 20.908 17.955 1.00 0.00 H +ATOM 10828 H2 WAT 3253 39.252 20.783 18.849 1.00 0.00 H +TER +ATOM 10829 O WAT 3254 50.248 19.799 29.488 1.00 0.00 O +ATOM 10830 H1 WAT 3254 49.745 20.540 29.828 1.00 0.00 H +ATOM 10831 H2 WAT 3254 51.063 20.188 29.172 1.00 0.00 H +TER +ATOM 10832 O WAT 3255 48.540 25.043 22.935 1.00 0.00 O +ATOM 10833 H1 WAT 3255 47.599 25.058 23.109 1.00 0.00 H +ATOM 10834 H2 WAT 3255 48.854 24.256 23.381 1.00 0.00 H +TER +ATOM 10835 O WAT 3256 38.518 26.725 16.495 1.00 0.00 O +ATOM 10836 H1 WAT 3256 39.284 26.613 17.058 1.00 0.00 H +ATOM 10837 H2 WAT 3256 38.595 26.028 15.843 1.00 0.00 H +TER +ATOM 10838 O WAT 3257 37.213 24.157 17.178 1.00 0.00 O +ATOM 10839 H1 WAT 3257 37.293 23.210 17.290 1.00 0.00 H +ATOM 10840 H2 WAT 3257 38.105 24.488 17.284 1.00 0.00 H +TER +ATOM 10841 O WAT 3258 34.899 30.374 20.156 1.00 0.00 O +ATOM 10842 H1 WAT 3258 33.973 30.616 20.146 1.00 0.00 H +ATOM 10843 H2 WAT 3258 35.364 31.201 20.034 1.00 0.00 H +TER +ATOM 10844 O WAT 3259 45.856 29.599 33.418 1.00 0.00 O +ATOM 10845 H1 WAT 3259 45.250 29.622 32.677 1.00 0.00 H +ATOM 10846 H2 WAT 3259 45.552 28.867 33.955 1.00 0.00 H +TER +ATOM 10847 O WAT 3260 50.177 32.707 17.528 1.00 0.00 O +ATOM 10848 H1 WAT 3260 49.891 32.293 16.713 1.00 0.00 H +ATOM 10849 H2 WAT 3260 49.979 33.635 17.408 1.00 0.00 H +TER +ATOM 10850 O WAT 3261 41.642 28.700 15.969 1.00 0.00 O +ATOM 10851 H1 WAT 3261 41.537 28.085 16.695 1.00 0.00 H +ATOM 10852 H2 WAT 3261 41.474 28.177 15.185 1.00 0.00 H +TER +ATOM 10853 O WAT 3262 44.882 27.762 16.573 1.00 0.00 O +ATOM 10854 H1 WAT 3262 44.333 28.209 17.217 1.00 0.00 H +ATOM 10855 H2 WAT 3262 45.504 27.257 17.096 1.00 0.00 H +TER +ATOM 10856 O WAT 3263 40.550 26.721 18.469 1.00 0.00 O +ATOM 10857 H1 WAT 3263 40.971 26.555 19.312 1.00 0.00 H +ATOM 10858 H2 WAT 3263 40.675 25.911 17.975 1.00 0.00 H +TER +ATOM 10859 O WAT 3264 43.063 25.745 15.717 1.00 0.00 O +ATOM 10860 H1 WAT 3264 43.583 25.030 15.351 1.00 0.00 H +ATOM 10861 H2 WAT 3264 43.709 26.383 16.017 1.00 0.00 H +TER +ATOM 10862 O WAT 3265 47.610 27.168 31.040 1.00 0.00 O +ATOM 10863 H1 WAT 3265 48.024 27.322 31.890 1.00 0.00 H +ATOM 10864 H2 WAT 3265 46.675 27.293 31.203 1.00 0.00 H +TER +ATOM 10865 O WAT 3266 48.083 24.507 33.044 1.00 0.00 O +ATOM 10866 H1 WAT 3266 48.665 23.752 32.956 1.00 0.00 H +ATOM 10867 H2 WAT 3266 48.259 25.038 32.268 1.00 0.00 H +TER +ATOM 10868 O WAT 3267 41.966 18.224 28.389 1.00 0.00 O +ATOM 10869 H1 WAT 3267 41.518 18.247 27.543 1.00 0.00 H +ATOM 10870 H2 WAT 3267 41.332 17.826 28.986 1.00 0.00 H +TER +ATOM 10871 O WAT 3268 44.708 24.851 30.394 1.00 0.00 O +ATOM 10872 H1 WAT 3268 44.828 24.255 31.133 1.00 0.00 H +ATOM 10873 H2 WAT 3268 45.568 24.888 29.974 1.00 0.00 H +TER +ATOM 10874 O WAT 3269 47.047 25.405 28.970 1.00 0.00 O +ATOM 10875 H1 WAT 3269 46.521 25.929 28.367 1.00 0.00 H +ATOM 10876 H2 WAT 3269 47.390 26.038 29.601 1.00 0.00 H +TER +ATOM 10877 O WAT 3270 39.446 22.794 15.415 1.00 0.00 O +ATOM 10878 H1 WAT 3270 39.245 21.931 15.776 1.00 0.00 H +ATOM 10879 H2 WAT 3270 39.275 22.708 14.477 1.00 0.00 H +TER +ATOM 10880 O WAT 3271 46.295 21.010 31.885 1.00 0.00 O +ATOM 10881 H1 WAT 3271 45.606 20.348 31.820 1.00 0.00 H +ATOM 10882 H2 WAT 3271 47.015 20.564 32.330 1.00 0.00 H +TER +ATOM 10883 O WAT 3272 46.925 17.605 17.944 1.00 0.00 O +ATOM 10884 H1 WAT 3272 47.205 16.762 18.300 1.00 0.00 H +ATOM 10885 H2 WAT 3272 46.151 17.838 18.458 1.00 0.00 H +TER +ATOM 10886 O WAT 3273 38.244 19.894 15.403 1.00 0.00 O +ATOM 10887 H1 WAT 3273 38.547 19.901 14.495 1.00 0.00 H +ATOM 10888 H2 WAT 3273 38.983 19.544 15.900 1.00 0.00 H +TER +ATOM 10889 O WAT 3274 41.462 18.838 16.388 1.00 0.00 O +ATOM 10890 H1 WAT 3274 41.115 18.160 15.809 1.00 0.00 H +ATOM 10891 H2 WAT 3274 41.664 18.377 17.203 1.00 0.00 H +TER +ATOM 10892 O WAT 3275 37.267 29.199 16.236 1.00 0.00 O +ATOM 10893 H1 WAT 3275 37.704 29.742 16.892 1.00 0.00 H +ATOM 10894 H2 WAT 3275 37.752 28.373 16.245 1.00 0.00 H +TER +ATOM 10895 O WAT 3276 39.078 30.318 21.348 1.00 0.00 O +ATOM 10896 H1 WAT 3276 38.777 30.195 22.248 1.00 0.00 H +ATOM 10897 H2 WAT 3276 38.972 29.459 20.940 1.00 0.00 H +TER +ATOM 10898 O WAT 3277 51.847 30.098 16.051 1.00 0.00 O +ATOM 10899 H1 WAT 3277 51.016 30.166 16.521 1.00 0.00 H +ATOM 10900 H2 WAT 3277 52.024 30.989 15.747 1.00 0.00 H +TER +ATOM 10901 O WAT 3278 51.303 26.843 18.554 1.00 0.00 O +ATOM 10902 H1 WAT 3278 52.065 27.413 18.660 1.00 0.00 H +ATOM 10903 H2 WAT 3278 51.318 26.276 19.325 1.00 0.00 H +TER +ATOM 10904 O WAT 3279 34.803 25.367 22.785 1.00 0.00 O +ATOM 10905 H1 WAT 3279 34.148 25.098 22.141 1.00 0.00 H +ATOM 10906 H2 WAT 3279 35.641 25.257 22.335 1.00 0.00 H +TER +ATOM 10907 O WAT 3280 52.309 27.698 23.398 1.00 0.00 O +ATOM 10908 H1 WAT 3280 52.679 26.915 22.992 1.00 0.00 H +ATOM 10909 H2 WAT 3280 52.949 28.387 23.220 1.00 0.00 H +TER +ATOM 10910 O WAT 3281 49.292 29.082 28.811 1.00 0.00 O +ATOM 10911 H1 WAT 3281 48.478 29.511 29.074 1.00 0.00 H +ATOM 10912 H2 WAT 3281 49.699 29.693 28.198 1.00 0.00 H +TER +ATOM 10913 O WAT 3282 51.355 27.136 15.711 1.00 0.00 O +ATOM 10914 H1 WAT 3282 51.629 28.044 15.583 1.00 0.00 H +ATOM 10915 H2 WAT 3282 51.166 27.073 16.648 1.00 0.00 H +TER +ATOM 10916 O WAT 3283 47.752 20.161 17.007 1.00 0.00 O +ATOM 10917 H1 WAT 3283 48.171 19.974 16.166 1.00 0.00 H +ATOM 10918 H2 WAT 3283 47.446 19.309 17.317 1.00 0.00 H +TER +ATOM 10919 O WAT 3284 51.251 25.073 20.704 1.00 0.00 O +ATOM 10920 H1 WAT 3284 50.875 24.306 20.272 1.00 0.00 H +ATOM 10921 H2 WAT 3284 50.521 25.455 21.192 1.00 0.00 H +TER +ATOM 10922 O WAT 3285 50.641 24.220 30.338 1.00 0.00 O +ATOM 10923 H1 WAT 3285 50.410 23.992 29.438 1.00 0.00 H +ATOM 10924 H2 WAT 3285 50.901 25.140 30.293 1.00 0.00 H +TER +ATOM 10925 O WAT 3286 49.080 19.446 33.116 1.00 0.00 O +ATOM 10926 H1 WAT 3286 49.957 19.454 33.500 1.00 0.00 H +ATOM 10927 H2 WAT 3286 49.092 18.709 32.506 1.00 0.00 H +TER +ATOM 10928 O WAT 3287 34.017 22.577 18.727 1.00 0.00 O +ATOM 10929 H1 WAT 3287 33.113 22.840 18.553 1.00 0.00 H +ATOM 10930 H2 WAT 3287 34.501 22.848 17.947 1.00 0.00 H +TER +ATOM 10931 O WAT 3288 50.526 23.299 24.005 1.00 0.00 O +ATOM 10932 H1 WAT 3288 51.050 22.805 23.374 1.00 0.00 H +ATOM 10933 H2 WAT 3288 51.112 23.434 24.750 1.00 0.00 H +TER +ATOM 10934 O WAT 3289 50.705 23.383 27.527 1.00 0.00 O +ATOM 10935 H1 WAT 3289 49.755 23.349 27.642 1.00 0.00 H +ATOM 10936 H2 WAT 3289 50.886 24.293 27.292 1.00 0.00 H +TER +ATOM 10937 O WAT 3290 36.560 21.633 16.637 1.00 0.00 O +ATOM 10938 H1 WAT 3290 37.269 21.211 16.152 1.00 0.00 H +ATOM 10939 H2 WAT 3290 35.844 21.701 16.005 1.00 0.00 H +TER +ATOM 10940 O WAT 3291 36.207 17.687 15.677 1.00 0.00 O +ATOM 10941 H1 WAT 3291 36.930 18.228 15.995 1.00 0.00 H +ATOM 10942 H2 WAT 3291 36.479 17.413 14.801 1.00 0.00 H +TER +ATOM 10943 O WAT 3292 50.016 22.556 19.944 1.00 0.00 O +ATOM 10944 H1 WAT 3292 50.512 22.323 20.729 1.00 0.00 H +ATOM 10945 H2 WAT 3292 49.818 21.717 19.528 1.00 0.00 H +TER +ATOM 10946 O WAT 3293 35.896 16.938 25.579 1.00 0.00 O +ATOM 10947 H1 WAT 3293 36.544 16.387 25.139 1.00 0.00 H +ATOM 10948 H2 WAT 3293 36.316 17.192 26.401 1.00 0.00 H +TER +ATOM 10949 O WAT 3294 51.445 21.192 22.478 1.00 0.00 O +ATOM 10950 H1 WAT 3294 51.335 21.038 23.416 1.00 0.00 H +ATOM 10951 H2 WAT 3294 52.206 20.664 22.236 1.00 0.00 H +TER +ATOM 10952 O WAT 3295 49.791 17.132 28.936 1.00 0.00 O +ATOM 10953 H1 WAT 3295 50.429 17.745 29.302 1.00 0.00 H +ATOM 10954 H2 WAT 3295 49.939 17.168 27.991 1.00 0.00 H +TER +ATOM 10955 O WAT 3296 52.334 19.023 15.719 1.00 0.00 O +ATOM 10956 H1 WAT 3296 53.259 18.891 15.511 1.00 0.00 H +ATOM 10957 H2 WAT 3296 52.311 19.102 16.672 1.00 0.00 H +TER +ATOM 10958 O WAT 3297 52.408 19.794 18.344 1.00 0.00 O +ATOM 10959 H1 WAT 3297 51.613 19.729 18.874 1.00 0.00 H +ATOM 10960 H2 WAT 3297 52.612 20.729 18.333 1.00 0.00 H +TER +ATOM 10961 O WAT 3298 43.162 18.284 31.844 1.00 0.00 O +ATOM 10962 H1 WAT 3298 43.101 18.877 32.593 1.00 0.00 H +ATOM 10963 H2 WAT 3298 44.102 18.177 31.699 1.00 0.00 H +TER +ATOM 10964 O WAT 3299 45.799 17.941 31.483 1.00 0.00 O +ATOM 10965 H1 WAT 3299 46.413 18.259 30.821 1.00 0.00 H +ATOM 10966 H2 WAT 3299 46.344 17.456 32.103 1.00 0.00 H +TER +ATOM 10967 O WAT 3300 52.217 33.841 28.889 1.00 0.00 O +ATOM 10968 H1 WAT 3300 51.723 34.237 28.172 1.00 0.00 H +ATOM 10969 H2 WAT 3300 51.608 33.216 29.283 1.00 0.00 H +TER +ATOM 10970 O WAT 3301 46.540 16.505 27.810 1.00 0.00 O +ATOM 10971 H1 WAT 3301 45.666 16.838 27.607 1.00 0.00 H +ATOM 10972 H2 WAT 3301 46.431 16.032 28.635 1.00 0.00 H +TER +ATOM 10973 O WAT 3302 47.447 18.712 29.194 1.00 0.00 O +ATOM 10974 H1 WAT 3302 47.119 17.897 28.814 1.00 0.00 H +ATOM 10975 H2 WAT 3302 48.396 18.669 29.071 1.00 0.00 H +TER +ATOM 10976 O WAT 3303 49.901 34.483 26.168 1.00 0.00 O +ATOM 10977 H1 WAT 3303 49.441 35.235 25.794 1.00 0.00 H +ATOM 10978 H2 WAT 3303 49.272 33.764 26.109 1.00 0.00 H +TER +ATOM 10979 O WAT 3304 44.288 17.422 26.749 1.00 0.00 O +ATOM 10980 H1 WAT 3304 43.505 17.896 27.029 1.00 0.00 H +ATOM 10981 H2 WAT 3304 43.994 16.517 26.641 1.00 0.00 H +TER +ATOM 10982 O WAT 3305 48.840 18.124 24.794 1.00 0.00 O +ATOM 10983 H1 WAT 3305 49.281 18.068 23.946 1.00 0.00 H +ATOM 10984 H2 WAT 3305 48.571 19.040 24.865 1.00 0.00 H +TER +ATOM 10985 O WAT 3306 50.704 17.755 22.805 1.00 0.00 O +ATOM 10986 H1 WAT 3306 50.642 16.812 22.658 1.00 0.00 H +ATOM 10987 H2 WAT 3306 51.483 17.863 23.350 1.00 0.00 H +TER +ATOM 10988 O WAT 3307 35.632 17.726 19.271 1.00 0.00 O +ATOM 10989 H1 WAT 3307 36.390 17.839 18.697 1.00 0.00 H +ATOM 10990 H2 WAT 3307 35.169 18.563 19.225 1.00 0.00 H +TER +ATOM 10991 O WAT 3308 42.173 19.840 22.261 1.00 0.00 O +ATOM 10992 H1 WAT 3308 41.361 19.466 21.921 1.00 0.00 H +ATOM 10993 H2 WAT 3308 42.677 19.085 22.563 1.00 0.00 H +TER +ATOM 10994 O WAT 3309 46.676 16.505 23.499 1.00 0.00 O +ATOM 10995 H1 WAT 3309 47.278 17.077 23.974 1.00 0.00 H +ATOM 10996 H2 WAT 3309 45.935 17.068 23.277 1.00 0.00 H +TER +ATOM 10997 O WAT 3310 49.819 16.907 18.773 1.00 0.00 O +ATOM 10998 H1 WAT 3310 50.014 17.805 19.040 1.00 0.00 H +ATOM 10999 H2 WAT 3310 49.032 16.675 19.267 1.00 0.00 H +TER +ATOM 11000 O WAT 3311 38.004 18.253 17.811 1.00 0.00 O +ATOM 11001 H1 WAT 3311 38.533 17.466 17.682 1.00 0.00 H +ATOM 11002 H2 WAT 3311 38.637 18.932 18.044 1.00 0.00 H +TER +ATOM 11003 O WAT 3312 40.198 17.990 20.865 1.00 0.00 O +ATOM 11004 H1 WAT 3312 39.568 17.289 21.032 1.00 0.00 H +ATOM 11005 H2 WAT 3312 39.658 18.751 20.649 1.00 0.00 H +TER +ATOM 11006 O WAT 3313 51.372 34.147 20.534 1.00 0.00 O +ATOM 11007 H1 WAT 3313 51.547 33.461 19.890 1.00 0.00 H +ATOM 11008 H2 WAT 3313 50.674 34.671 20.142 1.00 0.00 H +TER +ATOM 11009 O WAT 3314 40.324 17.269 33.301 1.00 0.00 O +ATOM 11010 H1 WAT 3314 40.042 17.772 32.537 1.00 0.00 H +ATOM 11011 H2 WAT 3314 40.706 16.471 32.935 1.00 0.00 H +TER +ATOM 11012 O WAT 3315 38.376 30.653 18.092 1.00 0.00 O +ATOM 11013 H1 WAT 3315 37.747 31.121 18.641 1.00 0.00 H +ATOM 11014 H2 WAT 3315 38.491 29.808 18.527 1.00 0.00 H +TER +ATOM 11015 O WAT 3316 46.925 16.684 33.879 1.00 0.00 O +ATOM 11016 H1 WAT 3316 46.812 17.004 34.774 1.00 0.00 H +ATOM 11017 H2 WAT 3316 47.742 17.085 33.582 1.00 0.00 H +TER +ATOM 11018 O WAT 3317 45.831 24.703 4.242 1.00 0.00 O +ATOM 11019 H1 WAT 3317 45.750 23.789 3.971 1.00 0.00 H +ATOM 11020 H2 WAT 3317 45.417 25.200 3.536 1.00 0.00 H +TER +ATOM 11021 O WAT 3318 43.963 26.481 6.123 1.00 0.00 O +ATOM 11022 H1 WAT 3318 43.187 26.001 6.413 1.00 0.00 H +ATOM 11023 H2 WAT 3318 44.614 25.802 5.949 1.00 0.00 H +TER +ATOM 11024 O WAT 3319 37.979 26.793 7.001 1.00 0.00 O +ATOM 11025 H1 WAT 3319 37.148 26.538 7.400 1.00 0.00 H +ATOM 11026 H2 WAT 3319 38.587 26.864 7.737 1.00 0.00 H +TER +ATOM 11027 O WAT 3320 47.983 30.887 4.903 1.00 0.00 O +ATOM 11028 H1 WAT 3320 47.522 30.116 5.232 1.00 0.00 H +ATOM 11029 H2 WAT 3320 48.796 30.914 5.408 1.00 0.00 H +TER +ATOM 11030 O WAT 3321 37.959 30.827 7.197 1.00 0.00 O +ATOM 11031 H1 WAT 3321 38.262 29.937 7.018 1.00 0.00 H +ATOM 11032 H2 WAT 3321 38.704 31.384 6.969 1.00 0.00 H +TER +ATOM 11033 O WAT 3322 34.352 24.354 6.669 1.00 0.00 O +ATOM 11034 H1 WAT 3322 34.923 23.586 6.669 1.00 0.00 H +ATOM 11035 H2 WAT 3322 34.352 24.653 5.760 1.00 0.00 H +TER +ATOM 11036 O WAT 3323 44.210 33.173 4.523 1.00 0.00 O +ATOM 11037 H1 WAT 3323 43.591 33.629 3.953 1.00 0.00 H +ATOM 11038 H2 WAT 3323 45.065 33.328 4.122 1.00 0.00 H +TER +ATOM 11039 O WAT 3324 43.404 29.157 6.130 1.00 0.00 O +ATOM 11040 H1 WAT 3324 43.334 28.216 5.969 1.00 0.00 H +ATOM 11041 H2 WAT 3324 44.166 29.247 6.702 1.00 0.00 H +TER +ATOM 11042 O WAT 3325 35.594 19.762 8.456 1.00 0.00 O +ATOM 11043 H1 WAT 3325 35.415 18.865 8.736 1.00 0.00 H +ATOM 11044 H2 WAT 3325 35.192 20.310 9.131 1.00 0.00 H +TER +ATOM 11045 O WAT 3326 44.434 21.964 6.357 1.00 0.00 O +ATOM 11046 H1 WAT 3326 44.811 21.091 6.244 1.00 0.00 H +ATOM 11047 H2 WAT 3326 44.336 22.300 5.466 1.00 0.00 H +TER +ATOM 11048 O WAT 3327 48.217 19.459 3.290 1.00 0.00 O +ATOM 11049 H1 WAT 3327 49.037 18.969 3.332 1.00 0.00 H +ATOM 11050 H2 WAT 3327 48.250 20.049 4.043 1.00 0.00 H +TER +ATOM 11051 O WAT 3328 36.213 22.258 7.064 1.00 0.00 O +ATOM 11052 H1 WAT 3328 36.894 22.522 7.683 1.00 0.00 H +ATOM 11053 H2 WAT 3328 35.898 21.418 7.398 1.00 0.00 H +TER +ATOM 11054 O WAT 3329 40.405 23.305 6.151 1.00 0.00 O +ATOM 11055 H1 WAT 3329 40.913 23.803 6.792 1.00 0.00 H +ATOM 11056 H2 WAT 3329 40.937 22.529 5.975 1.00 0.00 H +TER +ATOM 11057 O WAT 3330 52.506 21.476 9.854 1.00 0.00 O +ATOM 11058 H1 WAT 3330 51.802 21.864 9.336 1.00 0.00 H +ATOM 11059 H2 WAT 3330 52.772 22.171 10.456 1.00 0.00 H +TER +ATOM 11060 O WAT 3331 38.689 17.945 10.418 1.00 0.00 O +ATOM 11061 H1 WAT 3331 38.691 18.462 9.612 1.00 0.00 H +ATOM 11062 H2 WAT 3331 37.859 17.468 10.395 1.00 0.00 H +TER +ATOM 11063 O WAT 3332 39.939 27.585 8.595 1.00 0.00 O +ATOM 11064 H1 WAT 3332 39.606 28.211 9.237 1.00 0.00 H +ATOM 11065 H2 WAT 3332 40.116 28.111 7.815 1.00 0.00 H +TER +ATOM 11066 O WAT 3333 48.453 21.399 6.063 1.00 0.00 O +ATOM 11067 H1 WAT 3333 47.748 21.688 6.643 1.00 0.00 H +ATOM 11068 H2 WAT 3333 48.814 22.209 5.703 1.00 0.00 H +TER +ATOM 11069 O WAT 3334 38.371 19.656 8.425 1.00 0.00 O +ATOM 11070 H1 WAT 3334 38.712 20.500 8.130 1.00 0.00 H +ATOM 11071 H2 WAT 3334 37.432 19.804 8.541 1.00 0.00 H +TER +ATOM 11072 O WAT 3335 39.151 29.553 10.410 1.00 0.00 O +ATOM 11073 H1 WAT 3335 39.769 30.228 10.128 1.00 0.00 H +ATOM 11074 H2 WAT 3335 38.291 29.961 10.319 1.00 0.00 H +TER +ATOM 11075 O WAT 3336 50.069 31.017 8.325 1.00 0.00 O +ATOM 11076 H1 WAT 3336 49.385 31.686 8.317 1.00 0.00 H +ATOM 11077 H2 WAT 3336 50.608 31.215 7.560 1.00 0.00 H +TER +ATOM 11078 O WAT 3337 51.521 20.845 6.454 1.00 0.00 O +ATOM 11079 H1 WAT 3337 50.574 20.878 6.585 1.00 0.00 H +ATOM 11080 H2 WAT 3337 51.846 21.658 6.838 1.00 0.00 H +TER +ATOM 11081 O WAT 3338 42.053 17.144 4.749 1.00 0.00 O +ATOM 11082 H1 WAT 3338 42.361 16.589 4.033 1.00 0.00 H +ATOM 11083 H2 WAT 3338 41.123 17.279 4.566 1.00 0.00 H +TER +ATOM 11084 O WAT 3339 47.605 32.861 7.040 1.00 0.00 O +ATOM 11085 H1 WAT 3339 47.618 32.457 6.172 1.00 0.00 H +ATOM 11086 H2 WAT 3339 47.052 33.636 6.936 1.00 0.00 H +TER +ATOM 11087 O WAT 3340 48.899 29.583 2.129 1.00 0.00 O +ATOM 11088 H1 WAT 3340 48.789 28.640 2.254 1.00 0.00 H +ATOM 11089 H2 WAT 3340 48.896 29.944 3.015 1.00 0.00 H +TER +ATOM 11090 O WAT 3341 47.003 27.764 8.368 1.00 0.00 O +ATOM 11091 H1 WAT 3341 47.420 27.550 7.534 1.00 0.00 H +ATOM 11092 H2 WAT 3341 47.727 28.021 8.939 1.00 0.00 H +TER +ATOM 11093 O WAT 3342 50.950 26.163 8.460 1.00 0.00 O +ATOM 11094 H1 WAT 3342 50.121 26.232 7.985 1.00 0.00 H +ATOM 11095 H2 WAT 3342 51.545 26.748 7.991 1.00 0.00 H +TER +ATOM 11096 O WAT 3343 47.914 22.950 9.405 1.00 0.00 O +ATOM 11097 H1 WAT 3343 47.501 23.775 9.659 1.00 0.00 H +ATOM 11098 H2 WAT 3343 47.181 22.364 9.213 1.00 0.00 H +TER +ATOM 11099 O WAT 3344 40.047 25.736 4.267 1.00 0.00 O +ATOM 11100 H1 WAT 3344 39.643 25.023 3.772 1.00 0.00 H +ATOM 11101 H2 WAT 3344 40.133 25.391 5.156 1.00 0.00 H +TER +ATOM 11102 O WAT 3345 40.515 29.422 6.431 1.00 0.00 O +ATOM 11103 H1 WAT 3345 40.218 28.817 5.752 1.00 0.00 H +ATOM 11104 H2 WAT 3345 41.465 29.460 6.320 1.00 0.00 H +TER +ATOM 11105 O WAT 3346 38.760 22.510 8.047 1.00 0.00 O +ATOM 11106 H1 WAT 3346 39.311 22.619 7.272 1.00 0.00 H +ATOM 11107 H2 WAT 3346 39.274 22.884 8.763 1.00 0.00 H +TER +ATOM 11108 O WAT 3347 48.604 32.996 10.093 1.00 0.00 O +ATOM 11109 H1 WAT 3347 48.127 33.803 9.901 1.00 0.00 H +ATOM 11110 H2 WAT 3347 47.920 32.343 10.246 1.00 0.00 H +TER +ATOM 11111 O WAT 3348 39.607 29.161 13.082 1.00 0.00 O +ATOM 11112 H1 WAT 3348 38.710 29.385 13.329 1.00 0.00 H +ATOM 11113 H2 WAT 3348 39.632 29.284 12.133 1.00 0.00 H +TER +ATOM 11114 O WAT 3349 38.434 26.032 11.658 1.00 0.00 O +ATOM 11115 H1 WAT 3349 38.295 26.904 12.026 1.00 0.00 H +ATOM 11116 H2 WAT 3349 37.552 25.689 11.512 1.00 0.00 H +TER +ATOM 11117 O WAT 3350 44.757 30.949 2.964 1.00 0.00 O +ATOM 11118 H1 WAT 3350 45.197 31.692 2.550 1.00 0.00 H +ATOM 11119 H2 WAT 3350 44.696 31.192 3.888 1.00 0.00 H +TER +ATOM 11120 O WAT 3351 52.184 32.757 15.163 1.00 0.00 O +ATOM 11121 H1 WAT 3351 52.660 33.235 15.841 1.00 0.00 H +ATOM 11122 H2 WAT 3351 52.804 32.688 14.437 1.00 0.00 H +TER +ATOM 11123 O WAT 3352 34.386 27.802 7.575 1.00 0.00 O +ATOM 11124 H1 WAT 3352 34.464 27.936 6.630 1.00 0.00 H +ATOM 11125 H2 WAT 3352 35.000 27.093 7.767 1.00 0.00 H +TER +ATOM 11126 O WAT 3353 35.631 29.502 3.985 1.00 0.00 O +ATOM 11127 H1 WAT 3353 35.224 29.643 3.131 1.00 0.00 H +ATOM 11128 H2 WAT 3353 36.522 29.218 3.782 1.00 0.00 H +TER +ATOM 11129 O WAT 3354 51.587 29.948 12.323 1.00 0.00 O +ATOM 11130 H1 WAT 3354 51.713 29.709 11.404 1.00 0.00 H +ATOM 11131 H2 WAT 3354 51.629 29.116 12.795 1.00 0.00 H +TER +ATOM 11132 O WAT 3355 45.449 33.651 10.892 1.00 0.00 O +ATOM 11133 H1 WAT 3355 45.963 33.562 11.694 1.00 0.00 H +ATOM 11134 H2 WAT 3355 44.606 33.997 11.185 1.00 0.00 H +TER +ATOM 11135 O WAT 3356 46.692 33.071 2.955 1.00 0.00 O +ATOM 11136 H1 WAT 3356 47.147 32.290 3.269 1.00 0.00 H +ATOM 11137 H2 WAT 3356 47.031 33.782 3.499 1.00 0.00 H +TER +ATOM 11138 O WAT 3357 51.439 22.001 13.287 1.00 0.00 O +ATOM 11139 H1 WAT 3357 50.824 22.509 12.759 1.00 0.00 H +ATOM 11140 H2 WAT 3357 51.119 21.101 13.230 1.00 0.00 H +TER +ATOM 11141 O WAT 3358 34.442 28.843 10.114 1.00 0.00 O +ATOM 11142 H1 WAT 3358 34.605 28.374 9.296 1.00 0.00 H +ATOM 11143 H2 WAT 3358 34.907 28.335 10.779 1.00 0.00 H +TER +ATOM 11144 O WAT 3359 39.214 17.974 5.150 1.00 0.00 O +ATOM 11145 H1 WAT 3359 38.771 18.755 4.819 1.00 0.00 H +ATOM 11146 H2 WAT 3359 39.772 18.297 5.857 1.00 0.00 H +TER +ATOM 11147 O WAT 3360 43.501 20.840 10.754 1.00 0.00 O +ATOM 11148 H1 WAT 3360 43.039 21.049 11.566 1.00 0.00 H +ATOM 11149 H2 WAT 3360 43.099 20.026 10.451 1.00 0.00 H +TER +ATOM 11150 O WAT 3361 48.501 22.061 11.883 1.00 0.00 O +ATOM 11151 H1 WAT 3361 47.651 21.762 12.204 1.00 0.00 H +ATOM 11152 H2 WAT 3361 48.341 22.306 10.972 1.00 0.00 H +TER +ATOM 11153 O WAT 3362 45.596 23.562 13.983 1.00 0.00 O +ATOM 11154 H1 WAT 3362 45.922 22.728 13.643 1.00 0.00 H +ATOM 11155 H2 WAT 3362 46.384 24.084 14.131 1.00 0.00 H +TER +ATOM 11156 O WAT 3363 41.251 18.518 7.009 1.00 0.00 O +ATOM 11157 H1 WAT 3363 41.549 19.425 6.928 1.00 0.00 H +ATOM 11158 H2 WAT 3363 41.800 18.030 6.395 1.00 0.00 H +TER +ATOM 11159 O WAT 3364 39.005 23.097 2.878 1.00 0.00 O +ATOM 11160 H1 WAT 3364 38.779 22.881 3.783 1.00 0.00 H +ATOM 11161 H2 WAT 3364 38.225 23.530 2.533 1.00 0.00 H +TER +ATOM 11162 O WAT 3365 41.445 23.996 13.544 1.00 0.00 O +ATOM 11163 H1 WAT 3365 41.350 23.055 13.394 1.00 0.00 H +ATOM 11164 H2 WAT 3365 42.288 24.217 13.149 1.00 0.00 H +TER +ATOM 11165 O WAT 3366 44.842 21.740 3.508 1.00 0.00 O +ATOM 11166 H1 WAT 3366 45.235 22.057 2.695 1.00 0.00 H +ATOM 11167 H2 WAT 3366 45.203 20.861 3.622 1.00 0.00 H +TER +ATOM 11168 O WAT 3367 36.576 20.407 11.698 1.00 0.00 O +ATOM 11169 H1 WAT 3367 36.183 21.254 11.905 1.00 0.00 H +ATOM 11170 H2 WAT 3367 35.888 19.770 11.889 1.00 0.00 H +TER +ATOM 11171 O WAT 3368 43.151 20.490 14.767 1.00 0.00 O +ATOM 11172 H1 WAT 3368 42.461 20.298 15.402 1.00 0.00 H +ATOM 11173 H2 WAT 3368 43.894 20.774 15.300 1.00 0.00 H +TER +ATOM 11174 O WAT 3369 33.878 18.330 5.731 1.00 0.00 O +ATOM 11175 H1 WAT 3369 33.589 18.900 6.443 1.00 0.00 H +ATOM 11176 H2 WAT 3369 34.623 17.850 6.094 1.00 0.00 H +TER +ATOM 11177 O WAT 3370 45.427 24.330 7.603 1.00 0.00 O +ATOM 11178 H1 WAT 3370 44.695 24.839 7.952 1.00 0.00 H +ATOM 11179 H2 WAT 3370 45.030 23.513 7.302 1.00 0.00 H +TER +ATOM 11180 O WAT 3371 41.865 21.006 6.008 1.00 0.00 O +ATOM 11181 H1 WAT 3371 41.868 20.565 5.158 1.00 0.00 H +ATOM 11182 H2 WAT 3371 42.760 21.327 6.115 1.00 0.00 H +TER +ATOM 11183 O WAT 3372 37.715 20.888 4.967 1.00 0.00 O +ATOM 11184 H1 WAT 3372 37.375 21.366 5.724 1.00 0.00 H +ATOM 11185 H2 WAT 3372 36.953 20.435 4.608 1.00 0.00 H +TER +ATOM 11186 O WAT 3373 45.890 19.784 7.015 1.00 0.00 O +ATOM 11187 H1 WAT 3373 45.907 20.234 7.859 1.00 0.00 H +ATOM 11188 H2 WAT 3373 45.641 18.884 7.228 1.00 0.00 H +TER +ATOM 11189 O WAT 3374 49.317 17.197 12.854 1.00 0.00 O +ATOM 11190 H1 WAT 3374 49.641 16.466 13.380 1.00 0.00 H +ATOM 11191 H2 WAT 3374 49.352 16.878 11.952 1.00 0.00 H +TER +ATOM 11192 O WAT 3375 36.016 28.218 12.274 1.00 0.00 O +ATOM 11193 H1 WAT 3375 35.631 27.578 12.872 1.00 0.00 H +ATOM 11194 H2 WAT 3375 36.327 28.922 12.843 1.00 0.00 H +TER +ATOM 11195 O WAT 3376 42.166 25.066 7.755 1.00 0.00 O +ATOM 11196 H1 WAT 3376 42.533 24.592 8.501 1.00 0.00 H +ATOM 11197 H2 WAT 3376 41.976 25.940 8.095 1.00 0.00 H +TER +ATOM 11198 O WAT 3377 35.030 19.810 3.884 1.00 0.00 O +ATOM 11199 H1 WAT 3377 34.744 19.446 4.722 1.00 0.00 H +ATOM 11200 H2 WAT 3377 34.968 19.078 3.270 1.00 0.00 H +TER +ATOM 11201 O WAT 3378 39.956 24.107 10.073 1.00 0.00 O +ATOM 11202 H1 WAT 3378 39.651 24.986 10.298 1.00 0.00 H +ATOM 11203 H2 WAT 3378 40.910 24.167 10.109 1.00 0.00 H +TER +ATOM 11204 O WAT 3379 49.243 27.309 6.462 1.00 0.00 O +ATOM 11205 H1 WAT 3379 49.962 27.805 6.072 1.00 0.00 H +ATOM 11206 H2 WAT 3379 49.041 26.631 5.818 1.00 0.00 H +TER +ATOM 11207 O WAT 3380 44.624 27.380 12.349 1.00 0.00 O +ATOM 11208 H1 WAT 3380 44.558 26.460 12.095 1.00 0.00 H +ATOM 11209 H2 WAT 3380 43.995 27.478 13.064 1.00 0.00 H +TER +ATOM 11210 O WAT 3381 38.527 27.981 4.308 1.00 0.00 O +ATOM 11211 H1 WAT 3381 39.045 27.178 4.253 1.00 0.00 H +ATOM 11212 H2 WAT 3381 38.076 27.919 5.149 1.00 0.00 H +TER +ATOM 11213 O WAT 3382 36.012 24.947 11.220 1.00 0.00 O +ATOM 11214 H1 WAT 3382 35.653 25.612 11.807 1.00 0.00 H +ATOM 11215 H2 WAT 3382 35.717 24.115 11.591 1.00 0.00 H +TER +ATOM 11216 O WAT 3383 39.213 25.405 14.104 1.00 0.00 O +ATOM 11217 H1 WAT 3383 38.913 25.551 13.207 1.00 0.00 H +ATOM 11218 H2 WAT 3383 39.984 24.846 14.011 1.00 0.00 H +TER +ATOM 11219 O WAT 3384 44.556 30.202 12.100 1.00 0.00 O +ATOM 11220 H1 WAT 3384 44.571 29.270 11.881 1.00 0.00 H +ATOM 11221 H2 WAT 3384 43.849 30.288 12.739 1.00 0.00 H +TER +ATOM 11222 O WAT 3385 50.767 26.843 11.446 1.00 0.00 O +ATOM 11223 H1 WAT 3385 50.042 27.436 11.249 1.00 0.00 H +ATOM 11224 H2 WAT 3385 51.295 26.835 10.648 1.00 0.00 H +TER +ATOM 11225 O WAT 3386 46.297 28.569 4.945 1.00 0.00 O +ATOM 11226 H1 WAT 3386 46.650 27.972 4.285 1.00 0.00 H +ATOM 11227 H2 WAT 3386 45.413 28.243 5.116 1.00 0.00 H +TER +ATOM 11228 O WAT 3387 42.383 29.329 2.352 1.00 0.00 O +ATOM 11229 H1 WAT 3387 43.071 29.876 2.733 1.00 0.00 H +ATOM 11230 H2 WAT 3387 41.597 29.873 2.387 1.00 0.00 H +TER +ATOM 11231 O WAT 3388 43.989 31.844 9.194 1.00 0.00 O +ATOM 11232 H1 WAT 3388 44.634 32.050 9.871 1.00 0.00 H +ATOM 11233 H2 WAT 3388 44.352 31.083 8.741 1.00 0.00 H +TER +ATOM 11234 O WAT 3389 37.587 16.677 2.437 1.00 0.00 O +ATOM 11235 H1 WAT 3389 37.459 16.669 3.385 1.00 0.00 H +ATOM 11236 H2 WAT 3389 36.764 17.015 2.086 1.00 0.00 H +TER +ATOM 11237 O WAT 3390 45.263 29.847 7.911 1.00 0.00 O +ATOM 11238 H1 WAT 3390 45.905 29.147 8.025 1.00 0.00 H +ATOM 11239 H2 WAT 3390 45.788 30.627 7.731 1.00 0.00 H +TER +ATOM 11240 O WAT 3391 47.036 30.647 11.115 1.00 0.00 O +ATOM 11241 H1 WAT 3391 47.372 31.233 11.793 1.00 0.00 H +ATOM 11242 H2 WAT 3391 46.116 30.516 11.345 1.00 0.00 H +TER +ATOM 11243 O WAT 3392 34.587 18.436 11.897 1.00 0.00 O +ATOM 11244 H1 WAT 3392 33.873 18.636 12.503 1.00 0.00 H +ATOM 11245 H2 WAT 3392 35.006 17.660 12.269 1.00 0.00 H +TER +ATOM 11246 O WAT 3393 34.874 32.424 12.884 1.00 0.00 O +ATOM 11247 H1 WAT 3393 34.983 31.484 12.744 1.00 0.00 H +ATOM 11248 H2 WAT 3393 34.222 32.690 12.235 1.00 0.00 H +TER +ATOM 11249 O WAT 3394 46.081 20.929 9.647 1.00 0.00 O +ATOM 11250 H1 WAT 3394 46.449 20.108 9.975 1.00 0.00 H +ATOM 11251 H2 WAT 3394 45.220 20.989 10.063 1.00 0.00 H +TER +ATOM 11252 O WAT 3395 43.041 23.582 9.871 1.00 0.00 O +ATOM 11253 H1 WAT 3395 43.539 24.057 10.536 1.00 0.00 H +ATOM 11254 H2 WAT 3395 43.183 22.659 10.078 1.00 0.00 H +TER +ATOM 11255 O WAT 3396 45.447 18.888 3.312 1.00 0.00 O +ATOM 11256 H1 WAT 3396 45.324 18.906 2.363 1.00 0.00 H +ATOM 11257 H2 WAT 3396 46.395 18.936 3.431 1.00 0.00 H +TER +ATOM 11258 O WAT 3397 50.248 19.799 10.714 1.00 0.00 O +ATOM 11259 H1 WAT 3397 49.745 20.540 11.053 1.00 0.00 H +ATOM 11260 H2 WAT 3397 51.063 20.188 10.398 1.00 0.00 H +TER +ATOM 11261 O WAT 3398 48.540 25.043 4.160 1.00 0.00 O +ATOM 11262 H1 WAT 3398 47.599 25.058 4.335 1.00 0.00 H +ATOM 11263 H2 WAT 3398 48.854 24.256 4.606 1.00 0.00 H +TER +ATOM 11264 O WAT 3399 50.542 32.213 5.836 1.00 0.00 O +ATOM 11265 H1 WAT 3399 50.667 33.037 6.308 1.00 0.00 H +ATOM 11266 H2 WAT 3399 51.409 32.003 5.488 1.00 0.00 H +TER +ATOM 11267 O WAT 3400 38.014 34.307 5.507 1.00 0.00 O +ATOM 11268 H1 WAT 3400 38.750 33.758 5.778 1.00 0.00 H +ATOM 11269 H2 WAT 3400 38.398 35.172 5.368 1.00 0.00 H +TER +ATOM 11270 O WAT 3401 37.020 33.491 14.696 1.00 0.00 O +ATOM 11271 H1 WAT 3401 37.821 33.812 15.109 1.00 0.00 H +ATOM 11272 H2 WAT 3401 36.505 33.131 15.418 1.00 0.00 H +TER +ATOM 11273 O WAT 3402 45.856 29.599 14.643 1.00 0.00 O +ATOM 11274 H1 WAT 3402 45.250 29.622 13.903 1.00 0.00 H +ATOM 11275 H2 WAT 3402 45.552 28.867 15.180 1.00 0.00 H +TER +ATOM 11276 O WAT 3403 47.286 33.327 13.254 1.00 0.00 O +ATOM 11277 H1 WAT 3403 48.239 33.243 13.204 1.00 0.00 H +ATOM 11278 H2 WAT 3403 47.139 33.991 13.928 1.00 0.00 H +TER +ATOM 11279 O WAT 3404 34.740 25.979 13.640 1.00 0.00 O +ATOM 11280 H1 WAT 3404 35.244 25.399 14.211 1.00 0.00 H +ATOM 11281 H2 WAT 3404 34.000 26.263 14.177 1.00 0.00 H +TER +ATOM 11282 O WAT 3405 41.793 27.386 13.173 1.00 0.00 O +ATOM 11283 H1 WAT 3405 41.028 27.954 13.089 1.00 0.00 H +ATOM 11284 H2 WAT 3405 41.975 27.093 12.280 1.00 0.00 H +TER +ATOM 11285 O WAT 3406 48.936 29.116 13.731 1.00 0.00 O +ATOM 11286 H1 WAT 3406 49.677 29.454 13.227 1.00 0.00 H +ATOM 11287 H2 WAT 3406 48.173 29.285 13.178 1.00 0.00 H +TER +ATOM 11288 O WAT 3407 36.772 24.121 14.535 1.00 0.00 O +ATOM 11289 H1 WAT 3407 36.813 23.823 15.443 1.00 0.00 H +ATOM 11290 H2 WAT 3407 37.627 24.522 14.375 1.00 0.00 H +TER +ATOM 11291 O WAT 3408 38.713 22.701 12.502 1.00 0.00 O +ATOM 11292 H1 WAT 3408 38.182 22.210 11.874 1.00 0.00 H +ATOM 11293 H2 WAT 3408 39.381 23.129 11.968 1.00 0.00 H +TER +ATOM 11294 O WAT 3409 47.610 27.168 12.266 1.00 0.00 O +ATOM 11295 H1 WAT 3409 48.024 27.322 13.115 1.00 0.00 H +ATOM 11296 H2 WAT 3409 46.675 27.293 12.429 1.00 0.00 H +TER +ATOM 11297 O WAT 3410 48.083 24.507 14.270 1.00 0.00 O +ATOM 11298 H1 WAT 3410 48.665 23.752 14.182 1.00 0.00 H +ATOM 11299 H2 WAT 3410 48.259 25.038 13.493 1.00 0.00 H +TER +ATOM 11300 O WAT 3411 39.200 19.667 12.582 1.00 0.00 O +ATOM 11301 H1 WAT 3411 39.105 19.049 11.857 1.00 0.00 H +ATOM 11302 H2 WAT 3411 38.620 20.394 12.355 1.00 0.00 H +TER +ATOM 11303 O WAT 3412 41.966 18.224 9.614 1.00 0.00 O +ATOM 11304 H1 WAT 3412 41.518 18.247 8.769 1.00 0.00 H +ATOM 11305 H2 WAT 3412 41.332 17.826 10.212 1.00 0.00 H +TER +ATOM 11306 O WAT 3413 42.372 27.120 10.236 1.00 0.00 O +ATOM 11307 H1 WAT 3413 42.791 27.963 10.063 1.00 0.00 H +ATOM 11308 H2 WAT 3413 41.453 27.257 10.006 1.00 0.00 H +TER +ATOM 11309 O WAT 3414 44.708 24.851 11.620 1.00 0.00 O +ATOM 11310 H1 WAT 3414 44.828 24.255 12.359 1.00 0.00 H +ATOM 11311 H2 WAT 3414 45.568 24.888 11.200 1.00 0.00 H +TER +ATOM 11312 O WAT 3415 47.047 25.405 10.196 1.00 0.00 O +ATOM 11313 H1 WAT 3415 46.521 25.929 9.592 1.00 0.00 H +ATOM 11314 H2 WAT 3415 47.390 26.038 10.827 1.00 0.00 H +TER +ATOM 11315 O WAT 3416 40.223 33.425 11.351 1.00 0.00 O +ATOM 11316 H1 WAT 3416 39.685 34.150 11.032 1.00 0.00 H +ATOM 11317 H2 WAT 3416 40.476 32.948 10.561 1.00 0.00 H +TER +ATOM 11318 O WAT 3417 41.475 21.393 12.877 1.00 0.00 O +ATOM 11319 H1 WAT 3417 42.065 21.085 13.565 1.00 0.00 H +ATOM 11320 H2 WAT 3417 40.657 20.921 13.033 1.00 0.00 H +TER +ATOM 11321 O WAT 3418 46.295 21.010 13.110 1.00 0.00 O +ATOM 11322 H1 WAT 3418 45.606 20.348 13.045 1.00 0.00 H +ATOM 11323 H2 WAT 3418 47.015 20.564 13.555 1.00 0.00 H +TER +ATOM 11324 O WAT 3419 43.079 34.660 11.610 1.00 0.00 O +ATOM 11325 H1 WAT 3419 43.005 35.564 11.917 1.00 0.00 H +ATOM 11326 H2 WAT 3419 42.177 34.341 11.582 1.00 0.00 H +TER +ATOM 11327 O WAT 3420 34.482 31.988 4.914 1.00 0.00 O +ATOM 11328 H1 WAT 3420 34.812 31.120 4.681 1.00 0.00 H +ATOM 11329 H2 WAT 3420 34.911 32.193 5.744 1.00 0.00 H +TER +ATOM 11330 O WAT 3421 39.078 30.318 2.574 1.00 0.00 O +ATOM 11331 H1 WAT 3421 38.777 30.195 3.474 1.00 0.00 H +ATOM 11332 H2 WAT 3421 38.972 29.459 2.165 1.00 0.00 H +TER +ATOM 11333 O WAT 3422 34.971 32.855 7.652 1.00 0.00 O +ATOM 11334 H1 WAT 3422 34.534 33.035 8.484 1.00 0.00 H +ATOM 11335 H2 WAT 3422 35.538 33.612 7.510 1.00 0.00 H +TER +ATOM 11336 O WAT 3423 50.607 32.356 11.939 1.00 0.00 O +ATOM 11337 H1 WAT 3423 50.007 32.416 11.196 1.00 0.00 H +ATOM 11338 H2 WAT 3423 50.736 31.417 12.069 1.00 0.00 H +TER +ATOM 11339 O WAT 3424 34.803 25.367 4.011 1.00 0.00 O +ATOM 11340 H1 WAT 3424 34.148 25.098 3.367 1.00 0.00 H +ATOM 11341 H2 WAT 3424 35.641 25.257 3.561 1.00 0.00 H +TER +ATOM 11342 O WAT 3425 52.309 27.698 4.624 1.00 0.00 O +ATOM 11343 H1 WAT 3425 52.679 26.915 4.218 1.00 0.00 H +ATOM 11344 H2 WAT 3425 52.949 28.387 4.446 1.00 0.00 H +TER +ATOM 11345 O WAT 3426 49.292 29.082 10.037 1.00 0.00 O +ATOM 11346 H1 WAT 3426 48.478 29.511 10.300 1.00 0.00 H +ATOM 11347 H2 WAT 3426 49.699 29.693 9.424 1.00 0.00 H +TER +ATOM 11348 O WAT 3427 35.841 25.752 8.551 1.00 0.00 O +ATOM 11349 H1 WAT 3427 36.208 25.665 9.431 1.00 0.00 H +ATOM 11350 H2 WAT 3427 35.272 24.989 8.452 1.00 0.00 H +TER +ATOM 11351 O WAT 3428 50.641 24.220 11.564 1.00 0.00 O +ATOM 11352 H1 WAT 3428 50.410 23.992 10.664 1.00 0.00 H +ATOM 11353 H2 WAT 3428 50.901 25.140 11.518 1.00 0.00 H +TER +ATOM 11354 O WAT 3429 35.392 22.663 12.457 1.00 0.00 O +ATOM 11355 H1 WAT 3429 34.498 22.630 12.796 1.00 0.00 H +ATOM 11356 H2 WAT 3429 35.932 22.862 13.222 1.00 0.00 H +TER +ATOM 11357 O WAT 3430 49.080 19.446 14.342 1.00 0.00 O +ATOM 11358 H1 WAT 3430 49.957 19.454 14.725 1.00 0.00 H +ATOM 11359 H2 WAT 3430 49.092 18.709 13.731 1.00 0.00 H +TER +ATOM 11360 O WAT 3431 50.526 23.299 5.231 1.00 0.00 O +ATOM 11361 H1 WAT 3431 51.050 22.805 4.600 1.00 0.00 H +ATOM 11362 H2 WAT 3431 51.112 23.434 5.975 1.00 0.00 H +TER +ATOM 11363 O WAT 3432 50.705 23.383 8.753 1.00 0.00 O +ATOM 11364 H1 WAT 3432 49.755 23.349 8.867 1.00 0.00 H +ATOM 11365 H2 WAT 3432 50.886 24.293 8.518 1.00 0.00 H +TER +ATOM 11366 O WAT 3433 35.896 16.938 6.805 1.00 0.00 O +ATOM 11367 H1 WAT 3433 36.544 16.387 6.365 1.00 0.00 H +ATOM 11368 H2 WAT 3433 36.316 17.192 7.627 1.00 0.00 H +TER +ATOM 11369 O WAT 3434 51.445 21.192 3.704 1.00 0.00 O +ATOM 11370 H1 WAT 3434 51.335 21.038 4.642 1.00 0.00 H +ATOM 11371 H2 WAT 3434 52.206 20.664 3.461 1.00 0.00 H +TER +ATOM 11372 O WAT 3435 49.791 17.132 10.162 1.00 0.00 O +ATOM 11373 H1 WAT 3435 50.429 17.745 10.528 1.00 0.00 H +ATOM 11374 H2 WAT 3435 49.939 17.168 9.217 1.00 0.00 H +TER +ATOM 11375 O WAT 3436 49.350 33.833 3.564 1.00 0.00 O +ATOM 11376 H1 WAT 3436 49.945 33.512 2.887 1.00 0.00 H +ATOM 11377 H2 WAT 3436 49.607 33.361 4.355 1.00 0.00 H +TER +ATOM 11378 O WAT 3437 35.649 17.093 9.548 1.00 0.00 O +ATOM 11379 H1 WAT 3437 35.301 17.550 10.313 1.00 0.00 H +ATOM 11380 H2 WAT 3437 35.318 16.199 9.630 1.00 0.00 H +TER +ATOM 11381 O WAT 3438 37.256 30.265 13.713 1.00 0.00 O +ATOM 11382 H1 WAT 3438 37.213 29.894 14.594 1.00 0.00 H +ATOM 11383 H2 WAT 3438 37.387 31.203 13.853 1.00 0.00 H +TER +ATOM 11384 O WAT 3439 40.956 31.821 9.314 1.00 0.00 O +ATOM 11385 H1 WAT 3439 40.716 32.089 8.427 1.00 0.00 H +ATOM 11386 H2 WAT 3439 41.897 31.992 9.369 1.00 0.00 H +TER +ATOM 11387 O WAT 3440 43.162 18.284 13.070 1.00 0.00 O +ATOM 11388 H1 WAT 3440 43.101 18.877 13.819 1.00 0.00 H +ATOM 11389 H2 WAT 3440 44.102 18.177 12.925 1.00 0.00 H +TER +ATOM 11390 O WAT 3441 45.799 17.941 12.709 1.00 0.00 O +ATOM 11391 H1 WAT 3441 46.413 18.259 12.047 1.00 0.00 H +ATOM 11392 H2 WAT 3441 46.344 17.456 13.328 1.00 0.00 H +TER +ATOM 11393 O WAT 3442 52.217 33.841 10.115 1.00 0.00 O +ATOM 11394 H1 WAT 3442 51.723 34.237 9.398 1.00 0.00 H +ATOM 11395 H2 WAT 3442 51.608 33.216 10.509 1.00 0.00 H +TER +ATOM 11396 O WAT 3443 36.321 16.621 12.823 1.00 0.00 O +ATOM 11397 H1 WAT 3443 36.870 16.440 12.059 1.00 0.00 H +ATOM 11398 H2 WAT 3443 36.387 15.830 13.358 1.00 0.00 H +TER +ATOM 11399 O WAT 3444 37.095 33.211 10.833 1.00 0.00 O +ATOM 11400 H1 WAT 3444 36.501 33.080 11.572 1.00 0.00 H +ATOM 11401 H2 WAT 3444 37.087 32.375 10.367 1.00 0.00 H +TER +ATOM 11402 O WAT 3445 46.540 16.505 9.036 1.00 0.00 O +ATOM 11403 H1 WAT 3445 45.666 16.838 8.833 1.00 0.00 H +ATOM 11404 H2 WAT 3445 46.431 16.032 9.861 1.00 0.00 H +TER +ATOM 11405 O WAT 3446 47.447 18.712 10.420 1.00 0.00 O +ATOM 11406 H1 WAT 3446 47.119 17.897 10.040 1.00 0.00 H +ATOM 11407 H2 WAT 3446 48.396 18.669 10.296 1.00 0.00 H +TER +ATOM 11408 O WAT 3447 49.901 34.483 7.394 1.00 0.00 O +ATOM 11409 H1 WAT 3447 49.441 35.235 7.019 1.00 0.00 H +ATOM 11410 H2 WAT 3447 49.272 33.764 7.335 1.00 0.00 H +TER +ATOM 11411 O WAT 3448 36.726 30.577 9.783 1.00 0.00 O +ATOM 11412 H1 WAT 3448 35.999 29.958 9.716 1.00 0.00 H +ATOM 11413 H2 WAT 3448 36.787 30.971 8.913 1.00 0.00 H +TER +ATOM 11414 O WAT 3449 40.330 32.792 6.568 1.00 0.00 O +ATOM 11415 H1 WAT 3449 40.847 32.180 6.043 1.00 0.00 H +ATOM 11416 H2 WAT 3449 40.980 33.295 7.060 1.00 0.00 H +TER +ATOM 11417 O WAT 3450 43.070 33.683 7.395 1.00 0.00 O +ATOM 11418 H1 WAT 3450 43.358 33.428 6.519 1.00 0.00 H +ATOM 11419 H2 WAT 3450 43.582 33.130 7.986 1.00 0.00 H +TER +ATOM 11420 O WAT 3451 44.288 17.422 7.975 1.00 0.00 O +ATOM 11421 H1 WAT 3451 43.505 17.896 8.255 1.00 0.00 H +ATOM 11422 H2 WAT 3451 43.994 16.517 7.866 1.00 0.00 H +TER +ATOM 11423 O WAT 3452 48.840 18.124 6.020 1.00 0.00 O +ATOM 11424 H1 WAT 3452 49.281 18.068 5.172 1.00 0.00 H +ATOM 11425 H2 WAT 3452 48.571 19.040 6.091 1.00 0.00 H +TER +ATOM 11426 O WAT 3453 50.704 17.755 4.031 1.00 0.00 O +ATOM 11427 H1 WAT 3453 50.642 16.812 3.884 1.00 0.00 H +ATOM 11428 H2 WAT 3453 51.483 17.863 4.576 1.00 0.00 H +TER +ATOM 11429 O WAT 3454 35.009 33.895 2.993 1.00 0.00 O +ATOM 11430 H1 WAT 3454 34.841 33.262 3.691 1.00 0.00 H +ATOM 11431 H2 WAT 3454 34.142 34.101 2.643 1.00 0.00 H +TER +ATOM 11432 O WAT 3455 42.173 19.840 3.487 1.00 0.00 O +ATOM 11433 H1 WAT 3455 41.361 19.466 3.146 1.00 0.00 H +ATOM 11434 H2 WAT 3455 42.677 19.085 3.789 1.00 0.00 H +TER +ATOM 11435 O WAT 3456 46.676 16.505 4.725 1.00 0.00 O +ATOM 11436 H1 WAT 3456 47.278 17.077 5.200 1.00 0.00 H +ATOM 11437 H2 WAT 3456 45.935 17.068 4.502 1.00 0.00 H +TER +ATOM 11438 O WAT 3457 40.324 17.269 14.526 1.00 0.00 O +ATOM 11439 H1 WAT 3457 40.042 17.772 13.762 1.00 0.00 H +ATOM 11440 H2 WAT 3457 40.706 16.471 14.161 1.00 0.00 H +TER +ATOM 11441 O WAT 3458 46.925 16.684 15.104 1.00 0.00 O +ATOM 11442 H1 WAT 3458 46.812 17.004 16.000 1.00 0.00 H +ATOM 11443 H2 WAT 3458 47.742 17.085 14.808 1.00 0.00 H +TER +ATOM 11444 O WAT 3459 49.705 33.831 14.586 1.00 0.00 O +ATOM 11445 H1 WAT 3459 50.497 33.336 14.379 1.00 0.00 H +ATOM 11446 H2 WAT 3459 49.998 34.510 15.194 1.00 0.00 H +TER +ATOM 11447 O WAT 3460 45.831 5.929 60.565 1.00 0.00 O +ATOM 11448 H1 WAT 3460 45.750 5.014 60.294 1.00 0.00 H +ATOM 11449 H2 WAT 3460 45.417 6.426 59.859 1.00 0.00 H +TER +ATOM 11450 O WAT 3461 43.963 7.707 62.446 1.00 0.00 O +ATOM 11451 H1 WAT 3461 43.187 7.227 62.736 1.00 0.00 H +ATOM 11452 H2 WAT 3461 44.614 7.027 62.272 1.00 0.00 H +TER +ATOM 11453 O WAT 3462 37.979 8.019 63.324 1.00 0.00 O +ATOM 11454 H1 WAT 3462 37.148 7.764 63.723 1.00 0.00 H +ATOM 11455 H2 WAT 3462 38.587 8.090 64.060 1.00 0.00 H +TER +ATOM 11456 O WAT 3463 47.983 12.113 61.226 1.00 0.00 O +ATOM 11457 H1 WAT 3463 47.522 11.342 61.555 1.00 0.00 H +ATOM 11458 H2 WAT 3463 48.796 12.139 61.731 1.00 0.00 H +TER +ATOM 11459 O WAT 3464 37.959 12.053 63.520 1.00 0.00 O +ATOM 11460 H1 WAT 3464 38.262 11.163 63.341 1.00 0.00 H +ATOM 11461 H2 WAT 3464 38.704 12.610 63.292 1.00 0.00 H +TER +ATOM 11462 O WAT 3465 36.388 2.979 57.108 1.00 0.00 O +ATOM 11463 H1 WAT 3465 35.500 3.321 57.006 1.00 0.00 H +ATOM 11464 H2 WAT 3465 36.673 2.779 56.216 1.00 0.00 H +TER +ATOM 11465 O WAT 3466 34.352 5.580 62.992 1.00 0.00 O +ATOM 11466 H1 WAT 3466 34.923 4.812 62.992 1.00 0.00 H +ATOM 11467 H2 WAT 3466 34.352 5.878 62.083 1.00 0.00 H +TER +ATOM 11468 O WAT 3467 44.210 14.399 60.847 1.00 0.00 O +ATOM 11469 H1 WAT 3467 43.591 14.854 60.276 1.00 0.00 H +ATOM 11470 H2 WAT 3467 45.065 14.554 60.445 1.00 0.00 H +TER +ATOM 11471 O WAT 3468 43.404 10.383 62.453 1.00 0.00 O +ATOM 11472 H1 WAT 3468 43.334 9.442 62.292 1.00 0.00 H +ATOM 11473 H2 WAT 3468 44.166 10.473 63.025 1.00 0.00 H +TER +ATOM 11474 O WAT 3469 44.434 3.190 62.680 1.00 0.00 O +ATOM 11475 H1 WAT 3469 44.811 2.317 62.567 1.00 0.00 H +ATOM 11476 H2 WAT 3469 44.336 3.525 61.789 1.00 0.00 H +TER +ATOM 11477 O WAT 3470 36.213 3.484 63.387 1.00 0.00 O +ATOM 11478 H1 WAT 3470 36.894 3.748 64.006 1.00 0.00 H +ATOM 11479 H2 WAT 3470 35.898 2.644 63.721 1.00 0.00 H +TER +ATOM 11480 O WAT 3471 40.405 4.531 62.474 1.00 0.00 O +ATOM 11481 H1 WAT 3471 40.913 5.029 63.115 1.00 0.00 H +ATOM 11482 H2 WAT 3471 40.937 3.754 62.298 1.00 0.00 H +TER +ATOM 11483 O WAT 3472 45.076 9.283 58.240 1.00 0.00 O +ATOM 11484 H1 WAT 3472 44.458 9.748 57.676 1.00 0.00 H +ATOM 11485 H2 WAT 3472 45.588 9.975 58.657 1.00 0.00 H +TER +ATOM 11486 O WAT 3473 39.939 8.810 64.918 1.00 0.00 O +ATOM 11487 H1 WAT 3473 39.606 9.437 65.560 1.00 0.00 H +ATOM 11488 H2 WAT 3473 40.116 9.336 64.138 1.00 0.00 H +TER +ATOM 11489 O WAT 3474 48.453 2.625 62.386 1.00 0.00 O +ATOM 11490 H1 WAT 3474 47.748 2.913 62.966 1.00 0.00 H +ATOM 11491 H2 WAT 3474 48.814 3.435 62.026 1.00 0.00 H +TER +ATOM 11492 O WAT 3475 34.444 9.968 55.614 1.00 0.00 O +ATOM 11493 H1 WAT 3475 34.067 10.457 54.882 1.00 0.00 H +ATOM 11494 H2 WAT 3475 34.702 10.641 56.244 1.00 0.00 H +TER +ATOM 11495 O WAT 3476 50.069 12.242 64.648 1.00 0.00 O +ATOM 11496 H1 WAT 3476 49.385 12.912 64.640 1.00 0.00 H +ATOM 11497 H2 WAT 3476 50.608 12.440 63.883 1.00 0.00 H +TER +ATOM 11498 O WAT 3477 51.521 2.070 62.777 1.00 0.00 O +ATOM 11499 H1 WAT 3477 50.574 2.104 62.908 1.00 0.00 H +ATOM 11500 H2 WAT 3477 51.846 2.884 63.162 1.00 0.00 H +TER +ATOM 11501 O WAT 3478 47.605 14.087 63.363 1.00 0.00 O +ATOM 11502 H1 WAT 3478 47.618 13.683 62.495 1.00 0.00 H +ATOM 11503 H2 WAT 3478 47.052 14.861 63.259 1.00 0.00 H +TER +ATOM 11504 O WAT 3479 48.899 10.808 58.452 1.00 0.00 O +ATOM 11505 H1 WAT 3479 48.789 9.866 58.577 1.00 0.00 H +ATOM 11506 H2 WAT 3479 48.896 11.170 59.338 1.00 0.00 H +TER +ATOM 11507 O WAT 3480 47.003 8.990 64.691 1.00 0.00 O +ATOM 11508 H1 WAT 3480 47.420 8.776 63.857 1.00 0.00 H +ATOM 11509 H2 WAT 3480 47.727 9.247 65.262 1.00 0.00 H +TER +ATOM 11510 O WAT 3481 44.441 6.435 57.808 1.00 0.00 O +ATOM 11511 H1 WAT 3481 43.514 6.368 58.037 1.00 0.00 H +ATOM 11512 H2 WAT 3481 44.594 7.373 57.694 1.00 0.00 H +TER +ATOM 11513 O WAT 3482 44.428 2.706 54.805 1.00 0.00 O +ATOM 11514 H1 WAT 3482 43.489 2.868 54.890 1.00 0.00 H +ATOM 11515 H2 WAT 3482 44.747 3.425 54.259 1.00 0.00 H +TER +ATOM 11516 O WAT 3483 50.950 7.388 64.783 1.00 0.00 O +ATOM 11517 H1 WAT 3483 50.121 7.458 64.308 1.00 0.00 H +ATOM 11518 H2 WAT 3483 51.545 7.974 64.314 1.00 0.00 H +TER +ATOM 11519 O WAT 3484 48.471 7.997 58.312 1.00 0.00 O +ATOM 11520 H1 WAT 3484 47.852 7.659 57.664 1.00 0.00 H +ATOM 11521 H2 WAT 3484 48.454 7.353 59.020 1.00 0.00 H +TER +ATOM 11522 O WAT 3485 47.914 4.175 65.728 1.00 0.00 O +ATOM 11523 H1 WAT 3485 47.501 5.001 65.982 1.00 0.00 H +ATOM 11524 H2 WAT 3485 47.181 3.590 65.536 1.00 0.00 H +TER +ATOM 11525 O WAT 3486 40.047 6.961 60.590 1.00 0.00 O +ATOM 11526 H1 WAT 3486 39.643 6.249 60.095 1.00 0.00 H +ATOM 11527 H2 WAT 3486 40.133 6.617 61.479 1.00 0.00 H +TER +ATOM 11528 O WAT 3487 40.515 10.648 62.754 1.00 0.00 O +ATOM 11529 H1 WAT 3487 40.218 10.043 62.075 1.00 0.00 H +ATOM 11530 H2 WAT 3487 41.465 10.686 62.643 1.00 0.00 H +TER +ATOM 11531 O WAT 3488 38.760 3.736 64.370 1.00 0.00 O +ATOM 11532 H1 WAT 3488 39.311 3.845 63.595 1.00 0.00 H +ATOM 11533 H2 WAT 3488 39.274 4.109 65.086 1.00 0.00 H +TER +ATOM 11534 O WAT 3489 46.648 7.235 55.319 1.00 0.00 O +ATOM 11535 H1 WAT 3489 47.087 6.398 55.173 1.00 0.00 H +ATOM 11536 H2 WAT 3489 47.360 7.868 55.405 1.00 0.00 H +TER +ATOM 11537 O WAT 3490 44.757 12.175 59.287 1.00 0.00 O +ATOM 11538 H1 WAT 3490 45.197 12.918 58.873 1.00 0.00 H +ATOM 11539 H2 WAT 3490 44.696 12.418 60.211 1.00 0.00 H +TER +ATOM 11540 O WAT 3491 36.748 5.856 58.091 1.00 0.00 O +ATOM 11541 H1 WAT 3491 36.627 6.582 57.479 1.00 0.00 H +ATOM 11542 H2 WAT 3491 36.438 5.086 57.614 1.00 0.00 H +TER +ATOM 11543 O WAT 3492 34.386 9.027 63.898 1.00 0.00 O +ATOM 11544 H1 WAT 3492 34.464 9.162 62.953 1.00 0.00 H +ATOM 11545 H2 WAT 3492 35.000 8.319 64.091 1.00 0.00 H +TER +ATOM 11546 O WAT 3493 35.631 10.727 60.308 1.00 0.00 O +ATOM 11547 H1 WAT 3493 35.224 10.869 59.454 1.00 0.00 H +ATOM 11548 H2 WAT 3493 36.522 10.443 60.105 1.00 0.00 H +TER +ATOM 11549 O WAT 3494 47.424 15.162 56.643 1.00 0.00 O +ATOM 11550 H1 WAT 3494 47.264 14.872 57.542 1.00 0.00 H +ATOM 11551 H2 WAT 3494 47.259 14.386 56.108 1.00 0.00 H +TER +ATOM 11552 O WAT 3495 39.903 14.942 58.421 1.00 0.00 O +ATOM 11553 H1 WAT 3495 39.727 14.025 58.207 1.00 0.00 H +ATOM 11554 H2 WAT 3495 39.049 15.301 58.660 1.00 0.00 H +TER +ATOM 11555 O WAT 3496 47.127 12.671 55.203 1.00 0.00 O +ATOM 11556 H1 WAT 3496 46.433 12.668 54.543 1.00 0.00 H +ATOM 11557 H2 WAT 3496 47.869 12.247 54.773 1.00 0.00 H +TER +ATOM 11558 O WAT 3497 46.692 14.297 59.278 1.00 0.00 O +ATOM 11559 H1 WAT 3497 47.147 13.516 59.592 1.00 0.00 H +ATOM 11560 H2 WAT 3497 47.031 15.008 59.822 1.00 0.00 H +TER +ATOM 11561 O WAT 3498 39.005 4.323 59.201 1.00 0.00 O +ATOM 11562 H1 WAT 3498 38.779 4.106 60.106 1.00 0.00 H +ATOM 11563 H2 WAT 3498 38.225 4.755 58.856 1.00 0.00 H +TER +ATOM 11564 O WAT 3499 46.235 4.329 57.800 1.00 0.00 O +ATOM 11565 H1 WAT 3499 45.636 5.053 57.617 1.00 0.00 H +ATOM 11566 H2 WAT 3499 46.783 4.267 57.018 1.00 0.00 H +TER +ATOM 11567 O WAT 3500 44.842 2.965 59.831 1.00 0.00 O +ATOM 11568 H1 WAT 3500 45.235 3.283 59.018 1.00 0.00 H +ATOM 11569 H2 WAT 3500 45.203 2.086 59.945 1.00 0.00 H +TER +ATOM 11570 O WAT 3501 34.065 3.497 53.264 1.00 0.00 O +ATOM 11571 H1 WAT 3501 33.982 4.440 53.406 1.00 0.00 H +ATOM 11572 H2 WAT 3501 33.713 3.355 52.385 1.00 0.00 H +TER +ATOM 11573 O WAT 3502 45.427 5.556 63.926 1.00 0.00 O +ATOM 11574 H1 WAT 3502 44.695 6.065 64.275 1.00 0.00 H +ATOM 11575 H2 WAT 3502 45.030 4.739 63.625 1.00 0.00 H +TER +ATOM 11576 O WAT 3503 41.927 3.232 55.322 1.00 0.00 O +ATOM 11577 H1 WAT 3503 42.048 3.191 56.270 1.00 0.00 H +ATOM 11578 H2 WAT 3503 41.542 4.095 55.166 1.00 0.00 H +TER +ATOM 11579 O WAT 3504 40.939 5.543 54.720 1.00 0.00 O +ATOM 11580 H1 WAT 3504 40.371 5.094 54.094 1.00 0.00 H +ATOM 11581 H2 WAT 3504 41.648 5.902 54.187 1.00 0.00 H +TER +ATOM 11582 O WAT 3505 42.166 6.291 64.078 1.00 0.00 O +ATOM 11583 H1 WAT 3505 42.533 5.817 64.824 1.00 0.00 H +ATOM 11584 H2 WAT 3505 41.976 7.166 64.418 1.00 0.00 H +TER +ATOM 11585 O WAT 3506 38.484 9.538 56.993 1.00 0.00 O +ATOM 11586 H1 WAT 3506 37.710 8.998 56.833 1.00 0.00 H +ATOM 11587 H2 WAT 3506 39.213 9.019 56.654 1.00 0.00 H +TER +ATOM 11588 O WAT 3507 49.243 8.535 62.785 1.00 0.00 O +ATOM 11589 H1 WAT 3507 49.962 9.030 62.395 1.00 0.00 H +ATOM 11590 H2 WAT 3507 49.041 7.857 62.141 1.00 0.00 H +TER +ATOM 11591 O WAT 3508 47.418 4.301 55.225 1.00 0.00 O +ATOM 11592 H1 WAT 3508 48.306 4.612 55.050 1.00 0.00 H +ATOM 11593 H2 WAT 3508 47.389 3.428 54.833 1.00 0.00 H +TER +ATOM 11594 O WAT 3509 38.527 9.206 60.631 1.00 0.00 O +ATOM 11595 H1 WAT 3509 39.045 8.403 60.576 1.00 0.00 H +ATOM 11596 H2 WAT 3509 38.076 9.144 61.472 1.00 0.00 H +TER +ATOM 11597 O WAT 3510 43.414 10.473 55.903 1.00 0.00 O +ATOM 11598 H1 WAT 3510 43.756 11.217 55.408 1.00 0.00 H +ATOM 11599 H2 WAT 3510 42.586 10.786 56.266 1.00 0.00 H +TER +ATOM 11600 O WAT 3511 49.690 5.612 54.692 1.00 0.00 O +ATOM 11601 H1 WAT 3511 49.606 6.043 53.842 1.00 0.00 H +ATOM 11602 H2 WAT 3511 50.409 6.072 55.125 1.00 0.00 H +TER +ATOM 11603 O WAT 3512 50.719 12.466 57.421 1.00 0.00 O +ATOM 11604 H1 WAT 3512 50.076 11.812 57.695 1.00 0.00 H +ATOM 11605 H2 WAT 3512 50.332 12.872 56.645 1.00 0.00 H +TER +ATOM 11606 O WAT 3513 46.297 9.795 61.268 1.00 0.00 O +ATOM 11607 H1 WAT 3513 46.650 9.197 60.608 1.00 0.00 H +ATOM 11608 H2 WAT 3513 45.413 9.469 61.439 1.00 0.00 H +TER +ATOM 11609 O WAT 3514 42.383 10.554 58.675 1.00 0.00 O +ATOM 11610 H1 WAT 3514 43.071 11.101 59.056 1.00 0.00 H +ATOM 11611 H2 WAT 3514 41.597 11.099 58.710 1.00 0.00 H +TER +ATOM 11612 O WAT 3515 34.523 6.172 54.167 1.00 0.00 O +ATOM 11613 H1 WAT 3515 35.392 6.454 54.450 1.00 0.00 H +ATOM 11614 H2 WAT 3515 34.032 6.985 54.052 1.00 0.00 H +TER +ATOM 11615 O WAT 3516 41.686 7.559 58.287 1.00 0.00 O +ATOM 11616 H1 WAT 3516 42.142 8.370 58.513 1.00 0.00 H +ATOM 11617 H2 WAT 3516 41.335 7.241 59.119 1.00 0.00 H +TER +ATOM 11618 O WAT 3517 45.263 11.073 64.234 1.00 0.00 O +ATOM 11619 H1 WAT 3517 45.905 10.372 64.348 1.00 0.00 H +ATOM 11620 H2 WAT 3517 45.788 11.853 64.054 1.00 0.00 H +TER +ATOM 11621 O WAT 3518 49.108 11.358 53.958 1.00 0.00 O +ATOM 11622 H1 WAT 3518 48.882 10.641 54.551 1.00 0.00 H +ATOM 11623 H2 WAT 3518 48.718 11.109 53.121 1.00 0.00 H +TER +ATOM 11624 O WAT 3519 34.890 15.384 54.733 1.00 0.00 O +ATOM 11625 H1 WAT 3519 35.250 15.983 54.079 1.00 0.00 H +ATOM 11626 H2 WAT 3519 34.749 15.930 55.506 1.00 0.00 H +TER +ATOM 11627 O WAT 3520 48.690 9.275 55.620 1.00 0.00 O +ATOM 11628 H1 WAT 3520 48.402 9.736 56.408 1.00 0.00 H +ATOM 11629 H2 WAT 3520 49.485 8.815 55.888 1.00 0.00 H +TER +ATOM 11630 O WAT 3521 40.907 12.768 55.550 1.00 0.00 O +ATOM 11631 H1 WAT 3521 40.898 13.501 54.935 1.00 0.00 H +ATOM 11632 H2 WAT 3521 39.987 12.521 55.643 1.00 0.00 H +TER +ATOM 11633 O WAT 3522 36.507 7.989 56.295 1.00 0.00 O +ATOM 11634 H1 WAT 3522 35.900 8.729 56.304 1.00 0.00 H +ATOM 11635 H2 WAT 3522 36.982 8.079 55.469 1.00 0.00 H +TER +ATOM 11636 O WAT 3523 43.893 12.830 54.213 1.00 0.00 O +ATOM 11637 H1 WAT 3523 43.994 12.627 53.283 1.00 0.00 H +ATOM 11638 H2 WAT 3523 42.993 12.576 54.417 1.00 0.00 H +TER +ATOM 11639 O WAT 3524 41.415 3.388 58.195 1.00 0.00 O +ATOM 11640 H1 WAT 3524 40.707 3.857 58.636 1.00 0.00 H +ATOM 11641 H2 WAT 3524 41.700 2.731 58.830 1.00 0.00 H +TER +ATOM 11642 O WAT 3525 42.534 15.349 58.907 1.00 0.00 O +ATOM 11643 H1 WAT 3525 42.789 15.311 57.985 1.00 0.00 H +ATOM 11644 H2 WAT 3525 41.586 15.222 58.900 1.00 0.00 H +TER +ATOM 11645 O WAT 3526 48.540 6.268 60.483 1.00 0.00 O +ATOM 11646 H1 WAT 3526 47.599 6.283 60.658 1.00 0.00 H +ATOM 11647 H2 WAT 3526 48.854 5.482 60.929 1.00 0.00 H +TER +ATOM 11648 O WAT 3527 38.518 7.950 54.044 1.00 0.00 O +ATOM 11649 H1 WAT 3527 39.284 7.838 54.606 1.00 0.00 H +ATOM 11650 H2 WAT 3527 38.595 7.254 53.391 1.00 0.00 H +TER +ATOM 11651 O WAT 3528 37.213 5.383 54.727 1.00 0.00 O +ATOM 11652 H1 WAT 3528 37.293 4.435 54.839 1.00 0.00 H +ATOM 11653 H2 WAT 3528 38.105 5.713 54.833 1.00 0.00 H +TER +ATOM 11654 O WAT 3529 50.542 13.439 62.159 1.00 0.00 O +ATOM 11655 H1 WAT 3529 50.667 14.262 62.631 1.00 0.00 H +ATOM 11656 H2 WAT 3529 51.409 13.228 61.811 1.00 0.00 H +TER +ATOM 11657 O WAT 3530 38.014 15.532 61.830 1.00 0.00 O +ATOM 11658 H1 WAT 3530 38.750 14.984 62.101 1.00 0.00 H +ATOM 11659 H2 WAT 3530 38.398 16.398 61.691 1.00 0.00 H +TER +ATOM 11660 O WAT 3531 34.899 11.600 57.705 1.00 0.00 O +ATOM 11661 H1 WAT 3531 33.973 11.842 57.695 1.00 0.00 H +ATOM 11662 H2 WAT 3531 35.364 12.427 57.583 1.00 0.00 H +TER +ATOM 11663 O WAT 3532 41.124 14.705 53.653 1.00 0.00 O +ATOM 11664 H1 WAT 3532 41.917 14.994 53.201 1.00 0.00 H +ATOM 11665 H2 WAT 3532 40.605 14.274 52.974 1.00 0.00 H +TER +ATOM 11666 O WAT 3533 50.177 13.932 55.077 1.00 0.00 O +ATOM 11667 H1 WAT 3533 49.891 13.519 54.262 1.00 0.00 H +ATOM 11668 H2 WAT 3533 49.979 14.861 54.957 1.00 0.00 H +TER +ATOM 11669 O WAT 3534 41.642 9.926 53.517 1.00 0.00 O +ATOM 11670 H1 WAT 3534 41.537 9.311 54.243 1.00 0.00 H +ATOM 11671 H2 WAT 3534 41.474 9.402 52.734 1.00 0.00 H +TER +ATOM 11672 O WAT 3535 44.882 8.988 54.121 1.00 0.00 O +ATOM 11673 H1 WAT 3535 44.333 9.435 54.766 1.00 0.00 H +ATOM 11674 H2 WAT 3535 45.504 8.483 54.645 1.00 0.00 H +TER +ATOM 11675 O WAT 3536 40.550 7.947 56.018 1.00 0.00 O +ATOM 11676 H1 WAT 3536 40.971 7.781 56.861 1.00 0.00 H +ATOM 11677 H2 WAT 3536 40.675 7.137 55.523 1.00 0.00 H +TER +ATOM 11678 O WAT 3537 43.063 6.970 53.266 1.00 0.00 O +ATOM 11679 H1 WAT 3537 43.583 6.255 52.900 1.00 0.00 H +ATOM 11680 H2 WAT 3537 43.709 7.609 53.566 1.00 0.00 H +TER +ATOM 11681 O WAT 3538 39.446 4.020 52.964 1.00 0.00 O +ATOM 11682 H1 WAT 3538 39.245 3.157 53.325 1.00 0.00 H +ATOM 11683 H2 WAT 3538 39.275 3.933 52.026 1.00 0.00 H +TER +ATOM 11684 O WAT 3539 43.627 15.052 55.556 1.00 0.00 O +ATOM 11685 H1 WAT 3539 44.522 15.390 55.578 1.00 0.00 H +ATOM 11686 H2 WAT 3539 43.659 14.330 54.928 1.00 0.00 H +TER +ATOM 11687 O WAT 3540 37.267 10.424 53.785 1.00 0.00 O +ATOM 11688 H1 WAT 3540 37.704 10.967 54.440 1.00 0.00 H +ATOM 11689 H2 WAT 3540 37.752 9.599 53.794 1.00 0.00 H +TER +ATOM 11690 O WAT 3541 34.482 13.213 61.237 1.00 0.00 O +ATOM 11691 H1 WAT 3541 34.812 12.345 61.004 1.00 0.00 H +ATOM 11692 H2 WAT 3541 34.911 13.419 62.067 1.00 0.00 H +TER +ATOM 11693 O WAT 3542 39.078 11.544 58.897 1.00 0.00 O +ATOM 11694 H1 WAT 3542 38.777 11.421 59.797 1.00 0.00 H +ATOM 11695 H2 WAT 3542 38.972 10.685 58.488 1.00 0.00 H +TER +ATOM 11696 O WAT 3543 34.971 14.080 63.975 1.00 0.00 O +ATOM 11697 H1 WAT 3543 34.534 14.260 64.807 1.00 0.00 H +ATOM 11698 H2 WAT 3543 35.538 14.838 63.833 1.00 0.00 H +TER +ATOM 11699 O WAT 3544 51.847 11.324 53.599 1.00 0.00 O +ATOM 11700 H1 WAT 3544 51.016 11.391 54.070 1.00 0.00 H +ATOM 11701 H2 WAT 3544 52.024 12.214 53.296 1.00 0.00 H +TER +ATOM 11702 O WAT 3545 51.303 8.069 56.103 1.00 0.00 O +ATOM 11703 H1 WAT 3545 52.065 8.638 56.209 1.00 0.00 H +ATOM 11704 H2 WAT 3545 51.318 7.501 56.874 1.00 0.00 H +TER +ATOM 11705 O WAT 3546 34.803 6.592 60.334 1.00 0.00 O +ATOM 11706 H1 WAT 3546 34.148 6.323 59.690 1.00 0.00 H +ATOM 11707 H2 WAT 3546 35.641 6.483 59.884 1.00 0.00 H +TER +ATOM 11708 O WAT 3547 52.309 8.924 60.947 1.00 0.00 O +ATOM 11709 H1 WAT 3547 52.679 8.140 60.541 1.00 0.00 H +ATOM 11710 H2 WAT 3547 52.949 9.612 60.769 1.00 0.00 H +TER +ATOM 11711 O WAT 3548 51.355 8.362 53.260 1.00 0.00 O +ATOM 11712 H1 WAT 3548 51.629 9.270 53.132 1.00 0.00 H +ATOM 11713 H2 WAT 3548 51.166 8.298 54.196 1.00 0.00 H +TER +ATOM 11714 O WAT 3549 51.251 6.299 58.253 1.00 0.00 O +ATOM 11715 H1 WAT 3549 50.875 5.532 57.821 1.00 0.00 H +ATOM 11716 H2 WAT 3549 50.521 6.681 58.741 1.00 0.00 H +TER +ATOM 11717 O WAT 3550 35.841 6.978 64.874 1.00 0.00 O +ATOM 11718 H1 WAT 3550 36.208 6.890 65.754 1.00 0.00 H +ATOM 11719 H2 WAT 3550 35.272 6.214 64.775 1.00 0.00 H +TER +ATOM 11720 O WAT 3551 34.017 3.802 56.276 1.00 0.00 O +ATOM 11721 H1 WAT 3551 33.113 4.065 56.101 1.00 0.00 H +ATOM 11722 H2 WAT 3551 34.501 4.073 55.496 1.00 0.00 H +TER +ATOM 11723 O WAT 3552 50.526 4.525 61.554 1.00 0.00 O +ATOM 11724 H1 WAT 3552 51.050 4.031 60.923 1.00 0.00 H +ATOM 11725 H2 WAT 3552 51.112 4.660 62.299 1.00 0.00 H +TER +ATOM 11726 O WAT 3553 50.705 4.609 65.076 1.00 0.00 O +ATOM 11727 H1 WAT 3553 49.755 4.575 65.190 1.00 0.00 H +ATOM 11728 H2 WAT 3553 50.886 5.519 64.841 1.00 0.00 H +TER +ATOM 11729 O WAT 3554 36.560 2.859 54.186 1.00 0.00 O +ATOM 11730 H1 WAT 3554 37.269 2.437 53.700 1.00 0.00 H +ATOM 11731 H2 WAT 3554 35.844 2.926 53.554 1.00 0.00 H +TER +ATOM 11732 O WAT 3555 50.016 3.782 57.493 1.00 0.00 O +ATOM 11733 H1 WAT 3555 50.512 3.549 58.278 1.00 0.00 H +ATOM 11734 H2 WAT 3555 49.818 2.943 57.077 1.00 0.00 H +TER +ATOM 11735 O WAT 3556 51.445 2.418 60.027 1.00 0.00 O +ATOM 11736 H1 WAT 3556 51.335 2.264 60.965 1.00 0.00 H +ATOM 11737 H2 WAT 3556 52.206 1.890 59.784 1.00 0.00 H +TER +ATOM 11738 O WAT 3557 49.350 15.059 59.887 1.00 0.00 O +ATOM 11739 H1 WAT 3557 49.945 14.738 59.210 1.00 0.00 H +ATOM 11740 H2 WAT 3557 49.607 14.586 60.678 1.00 0.00 H +TER +ATOM 11741 O WAT 3558 40.956 13.047 65.637 1.00 0.00 O +ATOM 11742 H1 WAT 3558 40.716 13.314 64.750 1.00 0.00 H +ATOM 11743 H2 WAT 3558 41.897 13.217 65.692 1.00 0.00 H +TER +ATOM 11744 O WAT 3559 49.901 15.709 63.717 1.00 0.00 O +ATOM 11745 H1 WAT 3559 49.441 16.460 63.342 1.00 0.00 H +ATOM 11746 H2 WAT 3559 49.272 14.989 63.658 1.00 0.00 H +TER +ATOM 11747 O WAT 3560 40.330 14.017 62.891 1.00 0.00 O +ATOM 11748 H1 WAT 3560 40.847 13.406 62.366 1.00 0.00 H +ATOM 11749 H2 WAT 3560 40.980 14.520 63.383 1.00 0.00 H +TER +ATOM 11750 O WAT 3561 43.070 14.908 63.718 1.00 0.00 O +ATOM 11751 H1 WAT 3561 43.358 14.654 62.842 1.00 0.00 H +ATOM 11752 H2 WAT 3561 43.582 14.356 64.309 1.00 0.00 H +TER +ATOM 11753 O WAT 3562 35.009 15.120 59.316 1.00 0.00 O +ATOM 11754 H1 WAT 3562 34.841 14.487 60.014 1.00 0.00 H +ATOM 11755 H2 WAT 3562 34.142 15.326 58.966 1.00 0.00 H +TER +ATOM 11756 O WAT 3563 36.615 13.814 56.761 1.00 0.00 O +ATOM 11757 H1 WAT 3563 36.090 14.194 56.057 1.00 0.00 H +ATOM 11758 H2 WAT 3563 36.540 14.439 57.482 1.00 0.00 H +TER +ATOM 11759 O WAT 3564 51.372 15.372 58.083 1.00 0.00 O +ATOM 11760 H1 WAT 3564 51.547 14.686 57.439 1.00 0.00 H +ATOM 11761 H2 WAT 3564 50.674 15.897 57.690 1.00 0.00 H +TER +ATOM 11762 O WAT 3565 39.214 15.762 55.636 1.00 0.00 O +ATOM 11763 H1 WAT 3565 39.946 15.478 55.089 1.00 0.00 H +ATOM 11764 H2 WAT 3565 39.474 15.523 56.526 1.00 0.00 H +TER +ATOM 11765 O WAT 3566 38.376 11.878 55.641 1.00 0.00 O +ATOM 11766 H1 WAT 3566 37.747 12.347 56.189 1.00 0.00 H +ATOM 11767 H2 WAT 3566 38.491 11.033 56.075 1.00 0.00 H +TER +ATOM 11768 O WAT 3567 45.831 5.929 41.791 1.00 0.00 O +ATOM 11769 H1 WAT 3567 45.750 5.014 41.520 1.00 0.00 H +ATOM 11770 H2 WAT 3567 45.417 6.426 41.085 1.00 0.00 H +TER +ATOM 11771 O WAT 3568 43.963 7.707 43.672 1.00 0.00 O +ATOM 11772 H1 WAT 3568 43.187 7.227 43.962 1.00 0.00 H +ATOM 11773 H2 WAT 3568 44.614 7.027 43.497 1.00 0.00 H +TER +ATOM 11774 O WAT 3569 37.979 8.019 44.549 1.00 0.00 O +ATOM 11775 H1 WAT 3569 37.148 7.764 44.949 1.00 0.00 H +ATOM 11776 H2 WAT 3569 38.587 8.090 45.285 1.00 0.00 H +TER +ATOM 11777 O WAT 3570 47.983 12.113 42.452 1.00 0.00 O +ATOM 11778 H1 WAT 3570 47.522 11.342 42.780 1.00 0.00 H +ATOM 11779 H2 WAT 3570 48.796 12.139 42.957 1.00 0.00 H +TER +ATOM 11780 O WAT 3571 37.959 12.053 44.745 1.00 0.00 O +ATOM 11781 H1 WAT 3571 38.262 11.163 44.566 1.00 0.00 H +ATOM 11782 H2 WAT 3571 38.704 12.610 44.517 1.00 0.00 H +TER +ATOM 11783 O WAT 3572 36.388 2.979 38.334 1.00 0.00 O +ATOM 11784 H1 WAT 3572 35.500 3.321 38.232 1.00 0.00 H +ATOM 11785 H2 WAT 3572 36.673 2.779 37.442 1.00 0.00 H +TER +ATOM 11786 O WAT 3573 34.352 5.580 44.218 1.00 0.00 O +ATOM 11787 H1 WAT 3573 34.923 4.812 44.218 1.00 0.00 H +ATOM 11788 H2 WAT 3573 34.352 5.878 43.308 1.00 0.00 H +TER +ATOM 11789 O WAT 3574 44.210 14.399 42.072 1.00 0.00 O +ATOM 11790 H1 WAT 3574 43.591 14.854 41.502 1.00 0.00 H +ATOM 11791 H2 WAT 3574 45.065 14.554 41.671 1.00 0.00 H +TER +ATOM 11792 O WAT 3575 43.404 10.383 43.679 1.00 0.00 O +ATOM 11793 H1 WAT 3575 43.334 9.442 43.518 1.00 0.00 H +ATOM 11794 H2 WAT 3575 44.166 10.473 44.251 1.00 0.00 H +TER +ATOM 11795 O WAT 3576 44.434 3.190 43.906 1.00 0.00 O +ATOM 11796 H1 WAT 3576 44.811 2.317 43.793 1.00 0.00 H +ATOM 11797 H2 WAT 3576 44.336 3.525 43.015 1.00 0.00 H +TER +ATOM 11798 O WAT 3577 36.213 3.484 44.613 1.00 0.00 O +ATOM 11799 H1 WAT 3577 36.894 3.748 45.231 1.00 0.00 H +ATOM 11800 H2 WAT 3577 35.898 2.644 44.947 1.00 0.00 H +TER +ATOM 11801 O WAT 3578 40.405 4.531 43.700 1.00 0.00 O +ATOM 11802 H1 WAT 3578 40.913 5.029 44.341 1.00 0.00 H +ATOM 11803 H2 WAT 3578 40.937 3.754 43.524 1.00 0.00 H +TER +ATOM 11804 O WAT 3579 52.506 2.701 47.403 1.00 0.00 O +ATOM 11805 H1 WAT 3579 51.802 3.089 46.884 1.00 0.00 H +ATOM 11806 H2 WAT 3579 52.772 3.396 48.005 1.00 0.00 H +TER +ATOM 11807 O WAT 3580 45.076 9.283 39.465 1.00 0.00 O +ATOM 11808 H1 WAT 3580 44.458 9.748 38.902 1.00 0.00 H +ATOM 11809 H2 WAT 3580 45.588 9.975 39.882 1.00 0.00 H +TER +ATOM 11810 O WAT 3581 39.939 8.810 46.144 1.00 0.00 O +ATOM 11811 H1 WAT 3581 39.606 9.437 46.786 1.00 0.00 H +ATOM 11812 H2 WAT 3581 40.116 9.336 45.364 1.00 0.00 H +TER +ATOM 11813 O WAT 3582 48.453 2.625 43.611 1.00 0.00 O +ATOM 11814 H1 WAT 3582 47.748 2.913 44.192 1.00 0.00 H +ATOM 11815 H2 WAT 3582 48.814 3.435 43.251 1.00 0.00 H +TER +ATOM 11816 O WAT 3583 39.151 10.778 47.959 1.00 0.00 O +ATOM 11817 H1 WAT 3583 39.769 11.453 47.677 1.00 0.00 H +ATOM 11818 H2 WAT 3583 38.291 11.187 47.867 1.00 0.00 H +TER +ATOM 11819 O WAT 3584 34.444 9.968 36.839 1.00 0.00 O +ATOM 11820 H1 WAT 3584 34.067 10.457 36.108 1.00 0.00 H +ATOM 11821 H2 WAT 3584 34.702 10.641 37.470 1.00 0.00 H +TER +ATOM 11822 O WAT 3585 50.069 12.242 45.874 1.00 0.00 O +ATOM 11823 H1 WAT 3585 49.385 12.912 45.866 1.00 0.00 H +ATOM 11824 H2 WAT 3585 50.608 12.440 45.109 1.00 0.00 H +TER +ATOM 11825 O WAT 3586 51.521 2.070 44.002 1.00 0.00 O +ATOM 11826 H1 WAT 3586 50.574 2.104 44.134 1.00 0.00 H +ATOM 11827 H2 WAT 3586 51.846 2.884 44.387 1.00 0.00 H +TER +ATOM 11828 O WAT 3587 47.605 14.087 44.589 1.00 0.00 O +ATOM 11829 H1 WAT 3587 47.618 13.683 43.721 1.00 0.00 H +ATOM 11830 H2 WAT 3587 47.052 14.861 44.485 1.00 0.00 H +TER +ATOM 11831 O WAT 3588 48.899 10.808 39.678 1.00 0.00 O +ATOM 11832 H1 WAT 3588 48.789 9.866 39.803 1.00 0.00 H +ATOM 11833 H2 WAT 3588 48.896 11.170 40.564 1.00 0.00 H +TER +ATOM 11834 O WAT 3589 47.003 8.990 45.917 1.00 0.00 O +ATOM 11835 H1 WAT 3589 47.420 8.776 45.082 1.00 0.00 H +ATOM 11836 H2 WAT 3589 47.727 9.247 46.488 1.00 0.00 H +TER +ATOM 11837 O WAT 3590 44.441 6.435 39.034 1.00 0.00 O +ATOM 11838 H1 WAT 3590 43.514 6.368 39.263 1.00 0.00 H +ATOM 11839 H2 WAT 3590 44.594 7.373 38.919 1.00 0.00 H +TER +ATOM 11840 O WAT 3591 44.428 2.706 36.031 1.00 0.00 O +ATOM 11841 H1 WAT 3591 43.489 2.868 36.116 1.00 0.00 H +ATOM 11842 H2 WAT 3591 44.747 3.425 35.484 1.00 0.00 H +TER +ATOM 11843 O WAT 3592 50.950 7.388 46.008 1.00 0.00 O +ATOM 11844 H1 WAT 3592 50.121 7.458 45.534 1.00 0.00 H +ATOM 11845 H2 WAT 3592 51.545 7.974 45.540 1.00 0.00 H +TER +ATOM 11846 O WAT 3593 48.471 7.997 39.537 1.00 0.00 O +ATOM 11847 H1 WAT 3593 47.852 7.659 38.890 1.00 0.00 H +ATOM 11848 H2 WAT 3593 48.454 7.353 40.245 1.00 0.00 H +TER +ATOM 11849 O WAT 3594 47.914 4.175 46.954 1.00 0.00 O +ATOM 11850 H1 WAT 3594 47.501 5.001 47.208 1.00 0.00 H +ATOM 11851 H2 WAT 3594 47.181 3.590 46.762 1.00 0.00 H +TER +ATOM 11852 O WAT 3595 40.047 6.961 41.816 1.00 0.00 O +ATOM 11853 H1 WAT 3595 39.643 6.249 41.320 1.00 0.00 H +ATOM 11854 H2 WAT 3595 40.133 6.617 42.705 1.00 0.00 H +TER +ATOM 11855 O WAT 3596 40.515 10.648 43.980 1.00 0.00 O +ATOM 11856 H1 WAT 3596 40.218 10.043 43.301 1.00 0.00 H +ATOM 11857 H2 WAT 3596 41.465 10.686 43.869 1.00 0.00 H +TER +ATOM 11858 O WAT 3597 38.760 3.736 45.596 1.00 0.00 O +ATOM 11859 H1 WAT 3597 39.311 3.845 44.821 1.00 0.00 H +ATOM 11860 H2 WAT 3597 39.274 4.109 46.311 1.00 0.00 H +TER +ATOM 11861 O WAT 3598 48.604 14.221 47.642 1.00 0.00 O +ATOM 11862 H1 WAT 3598 48.127 15.028 47.449 1.00 0.00 H +ATOM 11863 H2 WAT 3598 47.920 13.569 47.795 1.00 0.00 H +TER +ATOM 11864 O WAT 3599 39.607 10.386 50.631 1.00 0.00 O +ATOM 11865 H1 WAT 3599 38.710 10.610 50.878 1.00 0.00 H +ATOM 11866 H2 WAT 3599 39.632 10.510 49.682 1.00 0.00 H +TER +ATOM 11867 O WAT 3600 46.648 7.235 36.545 1.00 0.00 O +ATOM 11868 H1 WAT 3600 47.087 6.398 36.398 1.00 0.00 H +ATOM 11869 H2 WAT 3600 47.360 7.868 36.631 1.00 0.00 H +TER +ATOM 11870 O WAT 3601 38.434 7.257 49.206 1.00 0.00 O +ATOM 11871 H1 WAT 3601 38.295 8.130 49.575 1.00 0.00 H +ATOM 11872 H2 WAT 3601 37.552 6.915 49.061 1.00 0.00 H +TER +ATOM 11873 O WAT 3602 44.757 12.175 40.513 1.00 0.00 O +ATOM 11874 H1 WAT 3602 45.197 12.918 40.098 1.00 0.00 H +ATOM 11875 H2 WAT 3602 44.696 12.418 41.437 1.00 0.00 H +TER +ATOM 11876 O WAT 3603 40.232 13.200 51.415 1.00 0.00 O +ATOM 11877 H1 WAT 3603 40.204 13.604 50.548 1.00 0.00 H +ATOM 11878 H2 WAT 3603 40.069 12.271 51.252 1.00 0.00 H +TER +ATOM 11879 O WAT 3604 36.748 5.856 39.317 1.00 0.00 O +ATOM 11880 H1 WAT 3604 36.627 6.582 38.705 1.00 0.00 H +ATOM 11881 H2 WAT 3604 36.438 5.086 38.839 1.00 0.00 H +TER +ATOM 11882 O WAT 3605 52.184 13.982 52.711 1.00 0.00 O +ATOM 11883 H1 WAT 3605 52.660 14.461 53.390 1.00 0.00 H +ATOM 11884 H2 WAT 3605 52.804 13.914 51.986 1.00 0.00 H +TER +ATOM 11885 O WAT 3606 34.386 9.027 45.123 1.00 0.00 O +ATOM 11886 H1 WAT 3606 34.464 9.162 44.179 1.00 0.00 H +ATOM 11887 H2 WAT 3606 35.000 8.319 45.316 1.00 0.00 H +TER +ATOM 11888 O WAT 3607 35.631 10.727 41.534 1.00 0.00 O +ATOM 11889 H1 WAT 3607 35.224 10.869 40.679 1.00 0.00 H +ATOM 11890 H2 WAT 3607 36.522 10.443 41.331 1.00 0.00 H +TER +ATOM 11891 O WAT 3608 51.587 11.174 49.871 1.00 0.00 O +ATOM 11892 H1 WAT 3608 51.713 10.935 48.953 1.00 0.00 H +ATOM 11893 H2 WAT 3608 51.629 10.342 50.343 1.00 0.00 H +TER +ATOM 11894 O WAT 3609 45.449 14.876 48.441 1.00 0.00 O +ATOM 11895 H1 WAT 3609 45.963 14.787 49.243 1.00 0.00 H +ATOM 11896 H2 WAT 3609 44.606 15.222 48.733 1.00 0.00 H +TER +ATOM 11897 O WAT 3610 47.424 15.162 37.869 1.00 0.00 O +ATOM 11898 H1 WAT 3610 47.264 14.872 38.767 1.00 0.00 H +ATOM 11899 H2 WAT 3610 47.259 14.386 37.334 1.00 0.00 H +TER +ATOM 11900 O WAT 3611 39.903 14.942 39.646 1.00 0.00 O +ATOM 11901 H1 WAT 3611 39.727 14.025 39.433 1.00 0.00 H +ATOM 11902 H2 WAT 3611 39.049 15.301 39.886 1.00 0.00 H +TER +ATOM 11903 O WAT 3612 47.127 12.671 36.429 1.00 0.00 O +ATOM 11904 H1 WAT 3612 46.433 12.668 35.769 1.00 0.00 H +ATOM 11905 H2 WAT 3612 47.869 12.247 35.998 1.00 0.00 H +TER +ATOM 11906 O WAT 3613 46.692 14.297 40.504 1.00 0.00 O +ATOM 11907 H1 WAT 3613 47.147 13.516 40.818 1.00 0.00 H +ATOM 11908 H2 WAT 3613 47.031 15.008 41.048 1.00 0.00 H +TER +ATOM 11909 O WAT 3614 51.439 3.227 50.836 1.00 0.00 O +ATOM 11910 H1 WAT 3614 50.824 3.735 50.308 1.00 0.00 H +ATOM 11911 H2 WAT 3614 51.119 2.327 50.779 1.00 0.00 H +TER +ATOM 11912 O WAT 3615 34.442 10.069 47.663 1.00 0.00 O +ATOM 11913 H1 WAT 3615 34.605 9.599 46.845 1.00 0.00 H +ATOM 11914 H2 WAT 3615 34.907 9.561 48.328 1.00 0.00 H +TER +ATOM 11915 O WAT 3616 48.501 3.287 49.432 1.00 0.00 O +ATOM 11916 H1 WAT 3616 47.651 2.988 49.753 1.00 0.00 H +ATOM 11917 H2 WAT 3616 48.341 3.531 48.520 1.00 0.00 H +TER +ATOM 11918 O WAT 3617 45.596 4.787 51.532 1.00 0.00 O +ATOM 11919 H1 WAT 3617 45.922 3.954 51.192 1.00 0.00 H +ATOM 11920 H2 WAT 3617 46.384 5.310 51.680 1.00 0.00 H +TER +ATOM 11921 O WAT 3618 39.005 4.323 40.427 1.00 0.00 O +ATOM 11922 H1 WAT 3618 38.779 4.106 41.332 1.00 0.00 H +ATOM 11923 H2 WAT 3618 38.225 4.755 40.082 1.00 0.00 H +TER +ATOM 11924 O WAT 3619 46.235 4.329 39.026 1.00 0.00 O +ATOM 11925 H1 WAT 3619 45.636 5.053 38.842 1.00 0.00 H +ATOM 11926 H2 WAT 3619 46.783 4.267 38.244 1.00 0.00 H +TER +ATOM 11927 O WAT 3620 41.445 5.221 51.093 1.00 0.00 O +ATOM 11928 H1 WAT 3620 41.350 4.281 50.943 1.00 0.00 H +ATOM 11929 H2 WAT 3620 42.288 5.443 50.698 1.00 0.00 H +TER +ATOM 11930 O WAT 3621 44.842 2.965 41.056 1.00 0.00 O +ATOM 11931 H1 WAT 3621 45.235 3.283 40.243 1.00 0.00 H +ATOM 11932 H2 WAT 3621 45.203 2.086 41.171 1.00 0.00 H +TER +ATOM 11933 O WAT 3622 34.065 3.497 34.490 1.00 0.00 O +ATOM 11934 H1 WAT 3622 33.982 4.440 34.631 1.00 0.00 H +ATOM 11935 H2 WAT 3622 33.713 3.355 33.611 1.00 0.00 H +TER +ATOM 11936 O WAT 3623 45.427 5.556 45.151 1.00 0.00 O +ATOM 11937 H1 WAT 3623 44.695 6.065 45.500 1.00 0.00 H +ATOM 11938 H2 WAT 3623 45.030 4.739 44.850 1.00 0.00 H +TER +ATOM 11939 O WAT 3624 41.927 3.232 36.547 1.00 0.00 O +ATOM 11940 H1 WAT 3624 42.048 3.191 37.496 1.00 0.00 H +ATOM 11941 H2 WAT 3624 41.542 4.095 36.392 1.00 0.00 H +TER +ATOM 11942 O WAT 3625 40.939 5.543 35.946 1.00 0.00 O +ATOM 11943 H1 WAT 3625 40.371 5.094 35.319 1.00 0.00 H +ATOM 11944 H2 WAT 3625 41.648 5.902 35.412 1.00 0.00 H +TER +ATOM 11945 O WAT 3626 36.016 9.444 49.822 1.00 0.00 O +ATOM 11946 H1 WAT 3626 35.631 8.803 50.421 1.00 0.00 H +ATOM 11947 H2 WAT 3626 36.327 10.147 50.392 1.00 0.00 H +TER +ATOM 11948 O WAT 3627 42.166 6.291 45.303 1.00 0.00 O +ATOM 11949 H1 WAT 3627 42.533 5.817 46.049 1.00 0.00 H +ATOM 11950 H2 WAT 3627 41.976 7.166 45.644 1.00 0.00 H +TER +ATOM 11951 O WAT 3628 39.956 5.332 47.622 1.00 0.00 O +ATOM 11952 H1 WAT 3628 39.651 6.212 47.847 1.00 0.00 H +ATOM 11953 H2 WAT 3628 40.910 5.392 47.657 1.00 0.00 H +TER +ATOM 11954 O WAT 3629 38.484 9.538 38.218 1.00 0.00 O +ATOM 11955 H1 WAT 3629 37.710 8.998 38.058 1.00 0.00 H +ATOM 11956 H2 WAT 3629 39.213 9.019 37.880 1.00 0.00 H +TER +ATOM 11957 O WAT 3630 49.243 8.535 44.011 1.00 0.00 O +ATOM 11958 H1 WAT 3630 49.962 9.030 43.621 1.00 0.00 H +ATOM 11959 H2 WAT 3630 49.041 7.857 43.366 1.00 0.00 H +TER +ATOM 11960 O WAT 3631 44.624 8.606 49.898 1.00 0.00 O +ATOM 11961 H1 WAT 3631 44.558 7.685 49.644 1.00 0.00 H +ATOM 11962 H2 WAT 3631 43.995 8.703 50.612 1.00 0.00 H +TER +ATOM 11963 O WAT 3632 47.418 4.301 36.450 1.00 0.00 O +ATOM 11964 H1 WAT 3632 48.306 4.612 36.275 1.00 0.00 H +ATOM 11965 H2 WAT 3632 47.389 3.428 36.058 1.00 0.00 H +TER +ATOM 11966 O WAT 3633 38.527 9.206 41.856 1.00 0.00 O +ATOM 11967 H1 WAT 3633 39.045 8.403 41.802 1.00 0.00 H +ATOM 11968 H2 WAT 3633 38.076 9.144 42.698 1.00 0.00 H +TER +ATOM 11969 O WAT 3634 43.414 10.473 37.129 1.00 0.00 O +ATOM 11970 H1 WAT 3634 43.756 11.217 36.633 1.00 0.00 H +ATOM 11971 H2 WAT 3634 42.586 10.786 37.491 1.00 0.00 H +TER +ATOM 11972 O WAT 3635 36.012 6.173 48.769 1.00 0.00 O +ATOM 11973 H1 WAT 3635 35.653 6.838 49.356 1.00 0.00 H +ATOM 11974 H2 WAT 3635 35.717 5.341 49.140 1.00 0.00 H +TER +ATOM 11975 O WAT 3636 39.213 6.631 51.653 1.00 0.00 O +ATOM 11976 H1 WAT 3636 38.913 6.777 50.756 1.00 0.00 H +ATOM 11977 H2 WAT 3636 39.984 6.072 51.560 1.00 0.00 H +TER +ATOM 11978 O WAT 3637 44.556 11.428 49.648 1.00 0.00 O +ATOM 11979 H1 WAT 3637 44.571 10.496 49.430 1.00 0.00 H +ATOM 11980 H2 WAT 3637 43.849 11.514 50.287 1.00 0.00 H +TER +ATOM 11981 O WAT 3638 49.690 5.612 35.918 1.00 0.00 O +ATOM 11982 H1 WAT 3638 49.606 6.043 35.068 1.00 0.00 H +ATOM 11983 H2 WAT 3638 50.409 6.072 36.351 1.00 0.00 H +TER +ATOM 11984 O WAT 3639 50.767 8.069 48.995 1.00 0.00 O +ATOM 11985 H1 WAT 3639 50.042 8.662 48.798 1.00 0.00 H +ATOM 11986 H2 WAT 3639 51.295 8.061 48.196 1.00 0.00 H +TER +ATOM 11987 O WAT 3640 50.719 12.466 38.646 1.00 0.00 O +ATOM 11988 H1 WAT 3640 50.076 11.812 38.921 1.00 0.00 H +ATOM 11989 H2 WAT 3640 50.332 12.872 37.870 1.00 0.00 H +TER +ATOM 11990 O WAT 3641 46.297 9.795 42.494 1.00 0.00 O +ATOM 11991 H1 WAT 3641 46.650 9.197 41.834 1.00 0.00 H +ATOM 11992 H2 WAT 3641 45.413 9.469 42.664 1.00 0.00 H +TER +ATOM 11993 O WAT 3642 42.383 10.554 39.901 1.00 0.00 O +ATOM 11994 H1 WAT 3642 43.071 11.101 40.281 1.00 0.00 H +ATOM 11995 H2 WAT 3642 41.597 11.099 39.936 1.00 0.00 H +TER +ATOM 11996 O WAT 3643 34.523 6.172 35.392 1.00 0.00 O +ATOM 11997 H1 WAT 3643 35.392 6.454 35.676 1.00 0.00 H +ATOM 11998 H2 WAT 3643 34.032 6.985 35.277 1.00 0.00 H +TER +ATOM 11999 O WAT 3644 41.686 7.559 39.513 1.00 0.00 O +ATOM 12000 H1 WAT 3644 42.142 8.370 39.739 1.00 0.00 H +ATOM 12001 H2 WAT 3644 41.335 7.241 40.345 1.00 0.00 H +TER +ATOM 12002 O WAT 3645 43.989 13.070 46.742 1.00 0.00 O +ATOM 12003 H1 WAT 3645 44.634 13.276 47.420 1.00 0.00 H +ATOM 12004 H2 WAT 3645 44.352 12.309 46.289 1.00 0.00 H +TER +ATOM 12005 O WAT 3646 45.263 11.073 45.460 1.00 0.00 O +ATOM 12006 H1 WAT 3646 45.905 10.372 45.573 1.00 0.00 H +ATOM 12007 H2 WAT 3646 45.788 11.853 45.280 1.00 0.00 H +TER +ATOM 12008 O WAT 3647 49.108 11.358 35.184 1.00 0.00 O +ATOM 12009 H1 WAT 3647 48.882 10.641 35.776 1.00 0.00 H +ATOM 12010 H2 WAT 3647 48.718 11.109 34.346 1.00 0.00 H +TER +ATOM 12011 O WAT 3648 47.036 11.872 48.664 1.00 0.00 O +ATOM 12012 H1 WAT 3648 47.372 12.459 49.341 1.00 0.00 H +ATOM 12013 H2 WAT 3648 46.116 11.742 48.893 1.00 0.00 H +TER +ATOM 12014 O WAT 3649 48.690 9.275 36.845 1.00 0.00 O +ATOM 12015 H1 WAT 3649 48.402 9.736 37.633 1.00 0.00 H +ATOM 12016 H2 WAT 3649 49.485 8.815 37.114 1.00 0.00 H +TER +ATOM 12017 O WAT 3650 34.874 13.650 50.433 1.00 0.00 O +ATOM 12018 H1 WAT 3650 34.983 12.709 50.292 1.00 0.00 H +ATOM 12019 H2 WAT 3650 34.222 13.915 49.784 1.00 0.00 H +TER +ATOM 12020 O WAT 3651 42.865 11.922 51.832 1.00 0.00 O +ATOM 12021 H1 WAT 3651 42.545 11.202 52.377 1.00 0.00 H +ATOM 12022 H2 WAT 3651 42.191 12.597 51.906 1.00 0.00 H +TER +ATOM 12023 O WAT 3652 40.907 12.768 36.776 1.00 0.00 O +ATOM 12024 H1 WAT 3652 40.898 13.501 36.160 1.00 0.00 H +ATOM 12025 H2 WAT 3652 39.987 12.521 36.869 1.00 0.00 H +TER +ATOM 12026 O WAT 3653 36.507 7.989 37.520 1.00 0.00 O +ATOM 12027 H1 WAT 3653 35.900 8.729 37.530 1.00 0.00 H +ATOM 12028 H2 WAT 3653 36.982 8.079 36.694 1.00 0.00 H +TER +ATOM 12029 O WAT 3654 43.893 12.830 35.438 1.00 0.00 O +ATOM 12030 H1 WAT 3654 43.994 12.627 34.509 1.00 0.00 H +ATOM 12031 H2 WAT 3654 42.993 12.576 35.643 1.00 0.00 H +TER +ATOM 12032 O WAT 3655 41.415 3.388 39.421 1.00 0.00 O +ATOM 12033 H1 WAT 3655 40.707 3.857 39.862 1.00 0.00 H +ATOM 12034 H2 WAT 3655 41.700 2.731 40.055 1.00 0.00 H +TER +ATOM 12035 O WAT 3656 43.041 4.808 47.420 1.00 0.00 O +ATOM 12036 H1 WAT 3656 43.539 5.283 48.085 1.00 0.00 H +ATOM 12037 H2 WAT 3656 43.183 3.884 47.627 1.00 0.00 H +TER +ATOM 12038 O WAT 3657 42.534 15.349 40.133 1.00 0.00 O +ATOM 12039 H1 WAT 3657 42.789 15.311 39.211 1.00 0.00 H +ATOM 12040 H2 WAT 3657 41.586 15.222 40.126 1.00 0.00 H +TER +ATOM 12041 O WAT 3658 48.540 6.268 41.709 1.00 0.00 O +ATOM 12042 H1 WAT 3658 47.599 6.283 41.884 1.00 0.00 H +ATOM 12043 H2 WAT 3658 48.854 5.482 42.155 1.00 0.00 H +TER +ATOM 12044 O WAT 3659 38.518 7.950 35.269 1.00 0.00 O +ATOM 12045 H1 WAT 3659 39.284 7.838 35.832 1.00 0.00 H +ATOM 12046 H2 WAT 3659 38.595 7.254 34.617 1.00 0.00 H +TER +ATOM 12047 O WAT 3660 37.213 5.383 35.953 1.00 0.00 O +ATOM 12048 H1 WAT 3660 37.293 4.435 36.064 1.00 0.00 H +ATOM 12049 H2 WAT 3660 38.105 5.713 36.059 1.00 0.00 H +TER +ATOM 12050 O WAT 3661 50.542 13.439 43.384 1.00 0.00 O +ATOM 12051 H1 WAT 3661 50.667 14.262 43.857 1.00 0.00 H +ATOM 12052 H2 WAT 3661 51.409 13.228 43.037 1.00 0.00 H +TER +ATOM 12053 O WAT 3662 38.014 15.532 43.056 1.00 0.00 O +ATOM 12054 H1 WAT 3662 38.750 14.984 43.327 1.00 0.00 H +ATOM 12055 H2 WAT 3662 38.398 16.398 42.917 1.00 0.00 H +TER +ATOM 12056 O WAT 3663 34.899 11.600 38.930 1.00 0.00 O +ATOM 12057 H1 WAT 3663 33.973 11.842 38.921 1.00 0.00 H +ATOM 12058 H2 WAT 3663 35.364 12.427 38.809 1.00 0.00 H +TER +ATOM 12059 O WAT 3664 37.020 14.717 52.245 1.00 0.00 O +ATOM 12060 H1 WAT 3664 37.821 15.038 52.658 1.00 0.00 H +ATOM 12061 H2 WAT 3664 36.505 14.356 52.967 1.00 0.00 H +TER +ATOM 12062 O WAT 3665 41.124 14.705 34.879 1.00 0.00 O +ATOM 12063 H1 WAT 3665 41.917 14.994 34.427 1.00 0.00 H +ATOM 12064 H2 WAT 3665 40.605 14.274 34.200 1.00 0.00 H +TER +ATOM 12065 O WAT 3666 45.856 10.825 52.192 1.00 0.00 O +ATOM 12066 H1 WAT 3666 45.250 10.848 51.452 1.00 0.00 H +ATOM 12067 H2 WAT 3666 45.552 10.093 52.729 1.00 0.00 H +TER +ATOM 12068 O WAT 3667 47.286 14.553 50.803 1.00 0.00 O +ATOM 12069 H1 WAT 3667 48.239 14.469 50.753 1.00 0.00 H +ATOM 12070 H2 WAT 3667 47.139 15.217 51.477 1.00 0.00 H +TER +ATOM 12071 O WAT 3668 50.177 13.932 36.302 1.00 0.00 O +ATOM 12072 H1 WAT 3668 49.891 13.519 35.488 1.00 0.00 H +ATOM 12073 H2 WAT 3668 49.979 14.861 36.182 1.00 0.00 H +TER +ATOM 12074 O WAT 3669 34.740 7.204 51.188 1.00 0.00 O +ATOM 12075 H1 WAT 3669 35.244 6.625 51.760 1.00 0.00 H +ATOM 12076 H2 WAT 3669 34.000 7.488 51.726 1.00 0.00 H +TER +ATOM 12077 O WAT 3670 41.642 9.926 34.743 1.00 0.00 O +ATOM 12078 H1 WAT 3670 41.537 9.311 35.469 1.00 0.00 H +ATOM 12079 H2 WAT 3670 41.474 9.402 33.959 1.00 0.00 H +TER +ATOM 12080 O WAT 3671 41.793 8.611 50.722 1.00 0.00 O +ATOM 12081 H1 WAT 3671 41.028 9.180 50.637 1.00 0.00 H +ATOM 12082 H2 WAT 3671 41.975 8.319 49.829 1.00 0.00 H +TER +ATOM 12083 O WAT 3672 44.882 8.988 35.347 1.00 0.00 O +ATOM 12084 H1 WAT 3672 44.333 9.435 35.991 1.00 0.00 H +ATOM 12085 H2 WAT 3672 45.504 8.483 35.871 1.00 0.00 H +TER +ATOM 12086 O WAT 3673 48.936 10.342 51.279 1.00 0.00 O +ATOM 12087 H1 WAT 3673 49.677 10.679 50.776 1.00 0.00 H +ATOM 12088 H2 WAT 3673 48.173 10.511 50.726 1.00 0.00 H +TER +ATOM 12089 O WAT 3674 36.772 5.347 52.083 1.00 0.00 O +ATOM 12090 H1 WAT 3674 36.813 5.049 52.992 1.00 0.00 H +ATOM 12091 H2 WAT 3674 37.627 5.748 51.924 1.00 0.00 H +TER +ATOM 12092 O WAT 3675 40.550 7.947 37.244 1.00 0.00 O +ATOM 12093 H1 WAT 3675 40.971 7.781 38.087 1.00 0.00 H +ATOM 12094 H2 WAT 3675 40.675 7.137 36.749 1.00 0.00 H +TER +ATOM 12095 O WAT 3676 38.713 3.926 50.051 1.00 0.00 O +ATOM 12096 H1 WAT 3676 38.182 3.435 49.423 1.00 0.00 H +ATOM 12097 H2 WAT 3676 39.381 4.355 49.516 1.00 0.00 H +TER +ATOM 12098 O WAT 3677 43.063 6.970 34.491 1.00 0.00 O +ATOM 12099 H1 WAT 3677 43.583 6.255 34.125 1.00 0.00 H +ATOM 12100 H2 WAT 3677 43.709 7.609 34.791 1.00 0.00 H +TER +ATOM 12101 O WAT 3678 47.610 8.393 49.815 1.00 0.00 O +ATOM 12102 H1 WAT 3678 48.024 8.548 50.664 1.00 0.00 H +ATOM 12103 H2 WAT 3678 46.675 8.519 49.977 1.00 0.00 H +TER +ATOM 12104 O WAT 3679 48.083 5.733 51.819 1.00 0.00 O +ATOM 12105 H1 WAT 3679 48.665 4.978 51.731 1.00 0.00 H +ATOM 12106 H2 WAT 3679 48.259 6.264 51.042 1.00 0.00 H +TER +ATOM 12107 O WAT 3680 42.372 8.345 47.784 1.00 0.00 O +ATOM 12108 H1 WAT 3680 42.791 9.189 47.612 1.00 0.00 H +ATOM 12109 H2 WAT 3680 41.453 8.483 47.555 1.00 0.00 H +TER +ATOM 12110 O WAT 3681 44.708 6.077 49.168 1.00 0.00 O +ATOM 12111 H1 WAT 3681 44.828 5.481 49.908 1.00 0.00 H +ATOM 12112 H2 WAT 3681 45.568 6.114 48.748 1.00 0.00 H +TER +ATOM 12113 O WAT 3682 47.047 6.631 47.744 1.00 0.00 O +ATOM 12114 H1 WAT 3682 46.521 7.155 47.141 1.00 0.00 H +ATOM 12115 H2 WAT 3682 47.390 7.263 48.375 1.00 0.00 H +TER +ATOM 12116 O WAT 3683 39.446 4.020 34.189 1.00 0.00 O +ATOM 12117 H1 WAT 3683 39.245 3.157 34.551 1.00 0.00 H +ATOM 12118 H2 WAT 3683 39.275 3.933 33.252 1.00 0.00 H +TER +ATOM 12119 O WAT 3684 40.223 14.651 48.900 1.00 0.00 O +ATOM 12120 H1 WAT 3684 39.685 15.375 48.581 1.00 0.00 H +ATOM 12121 H2 WAT 3684 40.476 14.174 48.110 1.00 0.00 H +TER +ATOM 12122 O WAT 3685 41.475 2.619 50.426 1.00 0.00 O +ATOM 12123 H1 WAT 3685 42.065 2.311 51.114 1.00 0.00 H +ATOM 12124 H2 WAT 3685 40.657 2.147 50.582 1.00 0.00 H +TER +ATOM 12125 O WAT 3686 43.079 15.886 49.159 1.00 0.00 O +ATOM 12126 H1 WAT 3686 43.005 16.789 49.466 1.00 0.00 H +ATOM 12127 H2 WAT 3686 42.177 15.567 49.131 1.00 0.00 H +TER +ATOM 12128 O WAT 3687 43.627 15.052 36.781 1.00 0.00 O +ATOM 12129 H1 WAT 3687 44.522 15.390 36.803 1.00 0.00 H +ATOM 12130 H2 WAT 3687 43.659 14.330 36.154 1.00 0.00 H +TER +ATOM 12131 O WAT 3688 37.267 10.424 35.010 1.00 0.00 O +ATOM 12132 H1 WAT 3688 37.704 10.967 35.666 1.00 0.00 H +ATOM 12133 H2 WAT 3688 37.752 9.599 35.020 1.00 0.00 H +TER +ATOM 12134 O WAT 3689 34.482 13.213 42.462 1.00 0.00 O +ATOM 12135 H1 WAT 3689 34.812 12.345 42.230 1.00 0.00 H +ATOM 12136 H2 WAT 3689 34.911 13.419 43.293 1.00 0.00 H +TER +ATOM 12137 O WAT 3690 39.078 11.544 40.122 1.00 0.00 O +ATOM 12138 H1 WAT 3690 38.777 11.421 41.023 1.00 0.00 H +ATOM 12139 H2 WAT 3690 38.972 10.685 39.714 1.00 0.00 H +TER +ATOM 12140 O WAT 3691 34.971 14.080 45.200 1.00 0.00 O +ATOM 12141 H1 WAT 3691 34.534 14.260 46.033 1.00 0.00 H +ATOM 12142 H2 WAT 3691 35.538 14.838 45.059 1.00 0.00 H +TER +ATOM 12143 O WAT 3692 50.607 13.582 49.488 1.00 0.00 O +ATOM 12144 H1 WAT 3692 50.007 13.641 48.745 1.00 0.00 H +ATOM 12145 H2 WAT 3692 50.736 12.642 49.618 1.00 0.00 H +TER +ATOM 12146 O WAT 3693 51.847 11.324 34.825 1.00 0.00 O +ATOM 12147 H1 WAT 3693 51.016 11.391 35.296 1.00 0.00 H +ATOM 12148 H2 WAT 3693 52.024 12.214 34.522 1.00 0.00 H +TER +ATOM 12149 O WAT 3694 51.303 8.069 37.328 1.00 0.00 O +ATOM 12150 H1 WAT 3694 52.065 8.638 37.434 1.00 0.00 H +ATOM 12151 H2 WAT 3694 51.318 7.501 38.099 1.00 0.00 H +TER +ATOM 12152 O WAT 3695 34.803 6.592 41.559 1.00 0.00 O +ATOM 12153 H1 WAT 3695 34.148 6.323 40.915 1.00 0.00 H +ATOM 12154 H2 WAT 3695 35.641 6.483 41.109 1.00 0.00 H +TER +ATOM 12155 O WAT 3696 52.309 8.924 42.173 1.00 0.00 O +ATOM 12156 H1 WAT 3696 52.679 8.140 41.766 1.00 0.00 H +ATOM 12157 H2 WAT 3696 52.949 9.612 41.994 1.00 0.00 H +TER +ATOM 12158 O WAT 3697 49.292 10.307 47.586 1.00 0.00 O +ATOM 12159 H1 WAT 3697 48.478 10.737 47.848 1.00 0.00 H +ATOM 12160 H2 WAT 3697 49.699 10.919 46.973 1.00 0.00 H +TER +ATOM 12161 O WAT 3698 51.355 8.362 34.486 1.00 0.00 O +ATOM 12162 H1 WAT 3698 51.629 9.270 34.358 1.00 0.00 H +ATOM 12163 H2 WAT 3698 51.166 8.298 35.422 1.00 0.00 H +TER +ATOM 12164 O WAT 3699 51.251 6.299 39.479 1.00 0.00 O +ATOM 12165 H1 WAT 3699 50.875 5.532 39.047 1.00 0.00 H +ATOM 12166 H2 WAT 3699 50.521 6.681 39.966 1.00 0.00 H +TER +ATOM 12167 O WAT 3700 35.841 6.978 46.100 1.00 0.00 O +ATOM 12168 H1 WAT 3700 36.208 6.890 46.979 1.00 0.00 H +ATOM 12169 H2 WAT 3700 35.272 6.214 46.000 1.00 0.00 H +TER +ATOM 12170 O WAT 3701 50.641 5.446 49.113 1.00 0.00 O +ATOM 12171 H1 WAT 3701 50.410 5.217 48.212 1.00 0.00 H +ATOM 12172 H2 WAT 3701 50.901 6.366 49.067 1.00 0.00 H +TER +ATOM 12173 O WAT 3702 35.392 3.888 50.005 1.00 0.00 O +ATOM 12174 H1 WAT 3702 34.498 3.855 50.345 1.00 0.00 H +ATOM 12175 H2 WAT 3702 35.932 4.087 50.771 1.00 0.00 H +TER +ATOM 12176 O WAT 3703 34.017 3.802 37.502 1.00 0.00 O +ATOM 12177 H1 WAT 3703 33.113 4.065 37.327 1.00 0.00 H +ATOM 12178 H2 WAT 3703 34.501 4.073 36.722 1.00 0.00 H +TER +ATOM 12179 O WAT 3704 50.526 4.525 42.779 1.00 0.00 O +ATOM 12180 H1 WAT 3704 51.050 4.031 42.148 1.00 0.00 H +ATOM 12181 H2 WAT 3704 51.112 4.660 43.524 1.00 0.00 H +TER +ATOM 12182 O WAT 3705 50.705 4.609 46.301 1.00 0.00 O +ATOM 12183 H1 WAT 3705 49.755 4.575 46.416 1.00 0.00 H +ATOM 12184 H2 WAT 3705 50.886 5.519 46.066 1.00 0.00 H +TER +ATOM 12185 O WAT 3706 36.560 2.859 35.411 1.00 0.00 O +ATOM 12186 H1 WAT 3706 37.269 2.437 34.926 1.00 0.00 H +ATOM 12187 H2 WAT 3706 35.844 2.926 34.780 1.00 0.00 H +TER +ATOM 12188 O WAT 3707 50.016 3.782 38.719 1.00 0.00 O +ATOM 12189 H1 WAT 3707 50.512 3.549 39.504 1.00 0.00 H +ATOM 12190 H2 WAT 3707 49.818 2.943 38.302 1.00 0.00 H +TER +ATOM 12191 O WAT 3708 51.445 2.418 41.252 1.00 0.00 O +ATOM 12192 H1 WAT 3708 51.335 2.264 42.191 1.00 0.00 H +ATOM 12193 H2 WAT 3708 52.206 1.890 41.010 1.00 0.00 H +TER +ATOM 12194 O WAT 3709 49.350 15.059 41.113 1.00 0.00 O +ATOM 12195 H1 WAT 3709 49.945 14.738 40.436 1.00 0.00 H +ATOM 12196 H2 WAT 3709 49.607 14.586 41.904 1.00 0.00 H +TER +ATOM 12197 O WAT 3710 37.256 11.491 51.262 1.00 0.00 O +ATOM 12198 H1 WAT 3710 37.213 11.120 52.143 1.00 0.00 H +ATOM 12199 H2 WAT 3710 37.387 12.429 51.402 1.00 0.00 H +TER +ATOM 12200 O WAT 3711 40.956 13.047 46.863 1.00 0.00 O +ATOM 12201 H1 WAT 3711 40.716 13.314 45.976 1.00 0.00 H +ATOM 12202 H2 WAT 3711 41.897 13.217 46.918 1.00 0.00 H +TER +ATOM 12203 O WAT 3712 52.217 15.066 47.664 1.00 0.00 O +ATOM 12204 H1 WAT 3712 51.723 15.463 46.946 1.00 0.00 H +ATOM 12205 H2 WAT 3712 51.608 14.441 48.057 1.00 0.00 H +TER +ATOM 12206 O WAT 3713 37.095 14.437 48.381 1.00 0.00 O +ATOM 12207 H1 WAT 3713 36.501 14.306 49.120 1.00 0.00 H +ATOM 12208 H2 WAT 3713 37.087 13.601 47.916 1.00 0.00 H +TER +ATOM 12209 O WAT 3714 49.901 15.709 44.942 1.00 0.00 O +ATOM 12210 H1 WAT 3714 49.441 16.460 44.568 1.00 0.00 H +ATOM 12211 H2 WAT 3714 49.272 14.989 44.884 1.00 0.00 H +TER +ATOM 12212 O WAT 3715 36.726 11.803 47.332 1.00 0.00 O +ATOM 12213 H1 WAT 3715 35.999 11.183 47.265 1.00 0.00 H +ATOM 12214 H2 WAT 3715 36.787 12.197 46.462 1.00 0.00 H +TER +ATOM 12215 O WAT 3716 40.330 14.017 44.117 1.00 0.00 O +ATOM 12216 H1 WAT 3716 40.847 13.406 43.592 1.00 0.00 H +ATOM 12217 H2 WAT 3716 40.980 14.520 44.608 1.00 0.00 H +TER +ATOM 12218 O WAT 3717 43.070 14.908 44.944 1.00 0.00 O +ATOM 12219 H1 WAT 3717 43.358 14.654 44.067 1.00 0.00 H +ATOM 12220 H2 WAT 3717 43.582 14.356 45.535 1.00 0.00 H +TER +ATOM 12221 O WAT 3718 35.009 15.120 40.542 1.00 0.00 O +ATOM 12222 H1 WAT 3718 34.841 14.487 41.240 1.00 0.00 H +ATOM 12223 H2 WAT 3718 34.142 15.326 40.191 1.00 0.00 H +TER +ATOM 12224 O WAT 3719 36.615 13.814 37.987 1.00 0.00 O +ATOM 12225 H1 WAT 3719 36.090 14.194 37.283 1.00 0.00 H +ATOM 12226 H2 WAT 3719 36.540 14.439 38.708 1.00 0.00 H +TER +ATOM 12227 O WAT 3720 43.137 15.830 52.311 1.00 0.00 O +ATOM 12228 H1 WAT 3720 44.064 15.594 52.354 1.00 0.00 H +ATOM 12229 H2 WAT 3720 43.122 16.657 51.829 1.00 0.00 H +TER +ATOM 12230 O WAT 3721 51.372 15.372 39.308 1.00 0.00 O +ATOM 12231 H1 WAT 3721 51.547 14.686 38.664 1.00 0.00 H +ATOM 12232 H2 WAT 3721 50.674 15.897 38.916 1.00 0.00 H +TER +ATOM 12233 O WAT 3722 39.214 15.762 36.862 1.00 0.00 O +ATOM 12234 H1 WAT 3722 39.946 15.478 36.314 1.00 0.00 H +ATOM 12235 H2 WAT 3722 39.474 15.523 37.752 1.00 0.00 H +TER +ATOM 12236 O WAT 3723 38.376 11.878 36.866 1.00 0.00 O +ATOM 12237 H1 WAT 3723 37.747 12.347 37.415 1.00 0.00 H +ATOM 12238 H2 WAT 3723 38.491 11.033 37.301 1.00 0.00 H +TER +ATOM 12239 O WAT 3724 49.705 15.057 52.135 1.00 0.00 O +ATOM 12240 H1 WAT 3724 50.497 14.562 51.928 1.00 0.00 H +ATOM 12241 H2 WAT 3724 49.998 15.736 52.743 1.00 0.00 H +TER +ATOM 12242 O WAT 3725 45.831 5.929 23.017 1.00 0.00 O +ATOM 12243 H1 WAT 3725 45.750 5.014 22.746 1.00 0.00 H +ATOM 12244 H2 WAT 3725 45.417 6.426 22.311 1.00 0.00 H +TER +ATOM 12245 O WAT 3726 43.963 7.707 24.897 1.00 0.00 O +ATOM 12246 H1 WAT 3726 43.187 7.227 25.187 1.00 0.00 H +ATOM 12247 H2 WAT 3726 44.614 7.027 24.723 1.00 0.00 H +TER +ATOM 12248 O WAT 3727 37.979 8.019 25.775 1.00 0.00 O +ATOM 12249 H1 WAT 3727 37.148 7.764 26.175 1.00 0.00 H +ATOM 12250 H2 WAT 3727 38.587 8.090 26.511 1.00 0.00 H +TER +ATOM 12251 O WAT 3728 47.983 12.113 23.677 1.00 0.00 O +ATOM 12252 H1 WAT 3728 47.522 11.342 24.006 1.00 0.00 H +ATOM 12253 H2 WAT 3728 48.796 12.139 24.183 1.00 0.00 H +TER +ATOM 12254 O WAT 3729 37.959 12.053 25.971 1.00 0.00 O +ATOM 12255 H1 WAT 3729 38.262 11.163 25.792 1.00 0.00 H +ATOM 12256 H2 WAT 3729 38.704 12.610 25.743 1.00 0.00 H +TER +ATOM 12257 O WAT 3730 36.388 2.979 19.559 1.00 0.00 O +ATOM 12258 H1 WAT 3730 35.500 3.321 19.457 1.00 0.00 H +ATOM 12259 H2 WAT 3730 36.673 2.779 18.667 1.00 0.00 H +TER +ATOM 12260 O WAT 3731 34.352 5.580 25.443 1.00 0.00 O +ATOM 12261 H1 WAT 3731 34.923 4.812 25.444 1.00 0.00 H +ATOM 12262 H2 WAT 3731 34.352 5.878 24.534 1.00 0.00 H +TER +ATOM 12263 O WAT 3732 44.210 14.399 23.298 1.00 0.00 O +ATOM 12264 H1 WAT 3732 43.591 14.854 22.727 1.00 0.00 H +ATOM 12265 H2 WAT 3732 45.065 14.554 22.897 1.00 0.00 H +TER +ATOM 12266 O WAT 3733 43.404 10.383 24.905 1.00 0.00 O +ATOM 12267 H1 WAT 3733 43.334 9.442 24.743 1.00 0.00 H +ATOM 12268 H2 WAT 3733 44.166 10.473 25.477 1.00 0.00 H +TER +ATOM 12269 O WAT 3734 44.434 3.190 25.131 1.00 0.00 O +ATOM 12270 H1 WAT 3734 44.811 2.317 25.019 1.00 0.00 H +ATOM 12271 H2 WAT 3734 44.336 3.525 24.240 1.00 0.00 H +TER +ATOM 12272 O WAT 3735 36.213 3.484 25.838 1.00 0.00 O +ATOM 12273 H1 WAT 3735 36.894 3.748 26.457 1.00 0.00 H +ATOM 12274 H2 WAT 3735 35.898 2.644 26.172 1.00 0.00 H +TER +ATOM 12275 O WAT 3736 40.405 4.531 24.926 1.00 0.00 O +ATOM 12276 H1 WAT 3736 40.913 5.029 25.566 1.00 0.00 H +ATOM 12277 H2 WAT 3736 40.937 3.754 24.750 1.00 0.00 H +TER +ATOM 12278 O WAT 3737 52.506 2.701 28.629 1.00 0.00 O +ATOM 12279 H1 WAT 3737 51.802 3.089 28.110 1.00 0.00 H +ATOM 12280 H2 WAT 3737 52.772 3.396 29.231 1.00 0.00 H +TER +ATOM 12281 O WAT 3738 45.076 9.283 20.691 1.00 0.00 O +ATOM 12282 H1 WAT 3738 44.458 9.748 20.127 1.00 0.00 H +ATOM 12283 H2 WAT 3738 45.588 9.975 21.108 1.00 0.00 H +TER +ATOM 12284 O WAT 3739 39.939 8.810 27.369 1.00 0.00 O +ATOM 12285 H1 WAT 3739 39.606 9.437 28.011 1.00 0.00 H +ATOM 12286 H2 WAT 3739 40.116 9.336 26.590 1.00 0.00 H +TER +ATOM 12287 O WAT 3740 48.453 2.625 24.837 1.00 0.00 O +ATOM 12288 H1 WAT 3740 47.748 2.913 25.417 1.00 0.00 H +ATOM 12289 H2 WAT 3740 48.814 3.435 24.477 1.00 0.00 H +TER +ATOM 12290 O WAT 3741 39.151 10.778 29.184 1.00 0.00 O +ATOM 12291 H1 WAT 3741 39.769 11.453 28.903 1.00 0.00 H +ATOM 12292 H2 WAT 3741 38.291 11.187 29.093 1.00 0.00 H +TER +ATOM 12293 O WAT 3742 34.444 9.968 18.065 1.00 0.00 O +ATOM 12294 H1 WAT 3742 34.067 10.457 17.333 1.00 0.00 H +ATOM 12295 H2 WAT 3742 34.702 10.641 18.696 1.00 0.00 H +TER +ATOM 12296 O WAT 3743 50.069 12.242 27.100 1.00 0.00 O +ATOM 12297 H1 WAT 3743 49.385 12.912 27.091 1.00 0.00 H +ATOM 12298 H2 WAT 3743 50.608 12.440 26.334 1.00 0.00 H +TER +ATOM 12299 O WAT 3744 51.521 2.070 25.228 1.00 0.00 O +ATOM 12300 H1 WAT 3744 50.574 2.104 25.359 1.00 0.00 H +ATOM 12301 H2 WAT 3744 51.846 2.884 25.613 1.00 0.00 H +TER +ATOM 12302 O WAT 3745 47.605 14.087 25.814 1.00 0.00 O +ATOM 12303 H1 WAT 3745 47.618 13.683 24.946 1.00 0.00 H +ATOM 12304 H2 WAT 3745 47.052 14.861 25.710 1.00 0.00 H +TER +ATOM 12305 O WAT 3746 48.899 10.808 20.903 1.00 0.00 O +ATOM 12306 H1 WAT 3746 48.789 9.866 21.028 1.00 0.00 H +ATOM 12307 H2 WAT 3746 48.896 11.170 21.790 1.00 0.00 H +TER +ATOM 12308 O WAT 3747 47.003 8.990 27.143 1.00 0.00 O +ATOM 12309 H1 WAT 3747 47.420 8.776 26.308 1.00 0.00 H +ATOM 12310 H2 WAT 3747 47.727 9.247 27.713 1.00 0.00 H +TER +ATOM 12311 O WAT 3748 44.441 6.435 20.260 1.00 0.00 O +ATOM 12312 H1 WAT 3748 43.514 6.368 20.488 1.00 0.00 H +ATOM 12313 H2 WAT 3748 44.594 7.373 20.145 1.00 0.00 H +TER +ATOM 12314 O WAT 3749 44.428 2.706 17.256 1.00 0.00 O +ATOM 12315 H1 WAT 3749 43.489 2.868 17.341 1.00 0.00 H +ATOM 12316 H2 WAT 3749 44.747 3.425 16.710 1.00 0.00 H +TER +ATOM 12317 O WAT 3750 50.950 7.388 27.234 1.00 0.00 O +ATOM 12318 H1 WAT 3750 50.121 7.458 26.759 1.00 0.00 H +ATOM 12319 H2 WAT 3750 51.545 7.974 26.766 1.00 0.00 H +TER +ATOM 12320 O WAT 3751 48.471 7.997 20.763 1.00 0.00 O +ATOM 12321 H1 WAT 3751 47.852 7.659 20.116 1.00 0.00 H +ATOM 12322 H2 WAT 3751 48.454 7.353 21.471 1.00 0.00 H +TER +ATOM 12323 O WAT 3752 47.914 4.175 28.180 1.00 0.00 O +ATOM 12324 H1 WAT 3752 47.501 5.001 28.434 1.00 0.00 H +ATOM 12325 H2 WAT 3752 47.181 3.590 27.987 1.00 0.00 H +TER +ATOM 12326 O WAT 3753 40.047 6.961 23.041 1.00 0.00 O +ATOM 12327 H1 WAT 3753 39.643 6.249 22.546 1.00 0.00 H +ATOM 12328 H2 WAT 3753 40.133 6.617 23.930 1.00 0.00 H +TER +ATOM 12329 O WAT 3754 40.515 10.648 25.205 1.00 0.00 O +ATOM 12330 H1 WAT 3754 40.218 10.043 24.526 1.00 0.00 H +ATOM 12331 H2 WAT 3754 41.465 10.686 25.094 1.00 0.00 H +TER +ATOM 12332 O WAT 3755 38.760 3.736 26.821 1.00 0.00 O +ATOM 12333 H1 WAT 3755 39.311 3.845 26.047 1.00 0.00 H +ATOM 12334 H2 WAT 3755 39.274 4.109 27.537 1.00 0.00 H +TER +ATOM 12335 O WAT 3756 48.604 14.221 28.868 1.00 0.00 O +ATOM 12336 H1 WAT 3756 48.127 15.028 28.675 1.00 0.00 H +ATOM 12337 H2 WAT 3756 47.920 13.569 29.020 1.00 0.00 H +TER +ATOM 12338 O WAT 3757 39.607 10.386 31.856 1.00 0.00 O +ATOM 12339 H1 WAT 3757 38.710 10.610 32.104 1.00 0.00 H +ATOM 12340 H2 WAT 3757 39.632 10.510 30.907 1.00 0.00 H +TER +ATOM 12341 O WAT 3758 46.648 7.235 17.770 1.00 0.00 O +ATOM 12342 H1 WAT 3758 47.087 6.398 17.624 1.00 0.00 H +ATOM 12343 H2 WAT 3758 47.360 7.868 17.857 1.00 0.00 H +TER +ATOM 12344 O WAT 3759 38.434 7.257 30.432 1.00 0.00 O +ATOM 12345 H1 WAT 3759 38.295 8.130 30.801 1.00 0.00 H +ATOM 12346 H2 WAT 3759 37.552 6.915 30.287 1.00 0.00 H +TER +ATOM 12347 O WAT 3760 44.757 12.175 21.738 1.00 0.00 O +ATOM 12348 H1 WAT 3760 45.197 12.918 21.324 1.00 0.00 H +ATOM 12349 H2 WAT 3760 44.696 12.418 22.662 1.00 0.00 H +TER +ATOM 12350 O WAT 3761 40.232 13.200 32.640 1.00 0.00 O +ATOM 12351 H1 WAT 3761 40.204 13.604 31.773 1.00 0.00 H +ATOM 12352 H2 WAT 3761 40.069 12.271 32.478 1.00 0.00 H +TER +ATOM 12353 O WAT 3762 36.748 5.856 20.542 1.00 0.00 O +ATOM 12354 H1 WAT 3762 36.627 6.582 19.930 1.00 0.00 H +ATOM 12355 H2 WAT 3762 36.438 5.086 20.065 1.00 0.00 H +TER +ATOM 12356 O WAT 3763 52.184 13.982 33.937 1.00 0.00 O +ATOM 12357 H1 WAT 3763 52.660 14.461 34.616 1.00 0.00 H +ATOM 12358 H2 WAT 3763 52.804 13.914 33.211 1.00 0.00 H +TER +ATOM 12359 O WAT 3764 34.386 9.027 26.349 1.00 0.00 O +ATOM 12360 H1 WAT 3764 34.464 9.162 25.405 1.00 0.00 H +ATOM 12361 H2 WAT 3764 35.000 8.319 26.542 1.00 0.00 H +TER +ATOM 12362 O WAT 3765 35.631 10.727 22.760 1.00 0.00 O +ATOM 12363 H1 WAT 3765 35.224 10.869 21.905 1.00 0.00 H +ATOM 12364 H2 WAT 3765 36.522 10.443 22.557 1.00 0.00 H +TER +ATOM 12365 O WAT 3766 51.587 11.174 31.097 1.00 0.00 O +ATOM 12366 H1 WAT 3766 51.713 10.935 30.179 1.00 0.00 H +ATOM 12367 H2 WAT 3766 51.629 10.342 31.569 1.00 0.00 H +TER +ATOM 12368 O WAT 3767 45.449 14.876 29.666 1.00 0.00 O +ATOM 12369 H1 WAT 3767 45.963 14.787 30.469 1.00 0.00 H +ATOM 12370 H2 WAT 3767 44.606 15.222 29.959 1.00 0.00 H +TER +ATOM 12371 O WAT 3768 47.424 15.162 19.095 1.00 0.00 O +ATOM 12372 H1 WAT 3768 47.264 14.872 19.993 1.00 0.00 H +ATOM 12373 H2 WAT 3768 47.259 14.386 18.559 1.00 0.00 H +TER +ATOM 12374 O WAT 3769 39.903 14.942 20.872 1.00 0.00 O +ATOM 12375 H1 WAT 3769 39.727 14.025 20.659 1.00 0.00 H +ATOM 12376 H2 WAT 3769 39.049 15.301 21.112 1.00 0.00 H +TER +ATOM 12377 O WAT 3770 47.127 12.671 17.655 1.00 0.00 O +ATOM 12378 H1 WAT 3770 46.433 12.668 16.995 1.00 0.00 H +ATOM 12379 H2 WAT 3770 47.869 12.247 17.224 1.00 0.00 H +TER +ATOM 12380 O WAT 3771 46.692 14.297 21.729 1.00 0.00 O +ATOM 12381 H1 WAT 3771 47.147 13.516 22.043 1.00 0.00 H +ATOM 12382 H2 WAT 3771 47.031 15.008 22.274 1.00 0.00 H +TER +ATOM 12383 O WAT 3772 51.439 3.227 32.062 1.00 0.00 O +ATOM 12384 H1 WAT 3772 50.824 3.735 31.533 1.00 0.00 H +ATOM 12385 H2 WAT 3772 51.119 2.327 32.004 1.00 0.00 H +TER +ATOM 12386 O WAT 3773 34.442 10.069 28.888 1.00 0.00 O +ATOM 12387 H1 WAT 3773 34.605 9.599 28.070 1.00 0.00 H +ATOM 12388 H2 WAT 3773 34.907 9.561 29.553 1.00 0.00 H +TER +ATOM 12389 O WAT 3774 48.501 3.287 30.658 1.00 0.00 O +ATOM 12390 H1 WAT 3774 47.651 2.988 30.979 1.00 0.00 H +ATOM 12391 H2 WAT 3774 48.341 3.531 29.746 1.00 0.00 H +TER +ATOM 12392 O WAT 3775 45.596 4.787 32.758 1.00 0.00 O +ATOM 12393 H1 WAT 3775 45.922 3.954 32.418 1.00 0.00 H +ATOM 12394 H2 WAT 3775 46.384 5.310 32.905 1.00 0.00 H +TER +ATOM 12395 O WAT 3776 39.005 4.323 21.653 1.00 0.00 O +ATOM 12396 H1 WAT 3776 38.779 4.106 22.557 1.00 0.00 H +ATOM 12397 H2 WAT 3776 38.225 4.755 21.307 1.00 0.00 H +TER +ATOM 12398 O WAT 3777 46.235 4.329 20.252 1.00 0.00 O +ATOM 12399 H1 WAT 3777 45.636 5.053 20.068 1.00 0.00 H +ATOM 12400 H2 WAT 3777 46.783 4.267 19.469 1.00 0.00 H +TER +ATOM 12401 O WAT 3778 41.445 5.221 32.319 1.00 0.00 O +ATOM 12402 H1 WAT 3778 41.350 4.281 32.169 1.00 0.00 H +ATOM 12403 H2 WAT 3778 42.288 5.443 31.923 1.00 0.00 H +TER +ATOM 12404 O WAT 3779 44.842 2.965 22.282 1.00 0.00 O +ATOM 12405 H1 WAT 3779 45.235 3.283 21.469 1.00 0.00 H +ATOM 12406 H2 WAT 3779 45.203 2.086 22.396 1.00 0.00 H +TER +ATOM 12407 O WAT 3780 34.065 3.497 15.715 1.00 0.00 O +ATOM 12408 H1 WAT 3780 33.982 4.440 15.857 1.00 0.00 H +ATOM 12409 H2 WAT 3780 33.713 3.355 14.837 1.00 0.00 H +TER +ATOM 12410 O WAT 3781 45.427 5.556 26.377 1.00 0.00 O +ATOM 12411 H1 WAT 3781 44.695 6.065 26.726 1.00 0.00 H +ATOM 12412 H2 WAT 3781 45.030 4.739 26.076 1.00 0.00 H +TER +ATOM 12413 O WAT 3782 41.927 3.232 17.773 1.00 0.00 O +ATOM 12414 H1 WAT 3782 42.048 3.191 18.722 1.00 0.00 H +ATOM 12415 H2 WAT 3782 41.542 4.095 17.618 1.00 0.00 H +TER +ATOM 12416 O WAT 3783 40.939 5.543 17.171 1.00 0.00 O +ATOM 12417 H1 WAT 3783 40.371 5.094 16.545 1.00 0.00 H +ATOM 12418 H2 WAT 3783 41.648 5.902 16.638 1.00 0.00 H +TER +ATOM 12419 O WAT 3784 36.016 9.444 31.048 1.00 0.00 O +ATOM 12420 H1 WAT 3784 35.631 8.803 31.646 1.00 0.00 H +ATOM 12421 H2 WAT 3784 36.327 10.147 31.618 1.00 0.00 H +TER +ATOM 12422 O WAT 3785 42.166 6.291 26.529 1.00 0.00 O +ATOM 12423 H1 WAT 3785 42.533 5.817 27.275 1.00 0.00 H +ATOM 12424 H2 WAT 3785 41.976 7.166 26.870 1.00 0.00 H +TER +ATOM 12425 O WAT 3786 39.956 5.332 28.847 1.00 0.00 O +ATOM 12426 H1 WAT 3786 39.651 6.212 29.072 1.00 0.00 H +ATOM 12427 H2 WAT 3786 40.910 5.392 28.883 1.00 0.00 H +TER +ATOM 12428 O WAT 3787 38.484 9.538 19.444 1.00 0.00 O +ATOM 12429 H1 WAT 3787 37.710 8.998 19.284 1.00 0.00 H +ATOM 12430 H2 WAT 3787 39.213 9.019 19.106 1.00 0.00 H +TER +ATOM 12431 O WAT 3788 49.243 8.535 25.237 1.00 0.00 O +ATOM 12432 H1 WAT 3788 49.962 9.030 24.846 1.00 0.00 H +ATOM 12433 H2 WAT 3788 49.041 7.857 24.592 1.00 0.00 H +TER +ATOM 12434 O WAT 3789 44.624 8.606 31.124 1.00 0.00 O +ATOM 12435 H1 WAT 3789 44.558 7.685 30.869 1.00 0.00 H +ATOM 12436 H2 WAT 3789 43.995 8.703 31.838 1.00 0.00 H +TER +ATOM 12437 O WAT 3790 47.418 4.301 17.676 1.00 0.00 O +ATOM 12438 H1 WAT 3790 48.306 4.612 17.501 1.00 0.00 H +ATOM 12439 H2 WAT 3790 47.389 3.428 17.284 1.00 0.00 H +TER +ATOM 12440 O WAT 3791 38.527 9.206 23.082 1.00 0.00 O +ATOM 12441 H1 WAT 3791 39.045 8.403 23.028 1.00 0.00 H +ATOM 12442 H2 WAT 3791 38.076 9.144 23.924 1.00 0.00 H +TER +ATOM 12443 O WAT 3792 43.414 10.473 18.355 1.00 0.00 O +ATOM 12444 H1 WAT 3792 43.756 11.217 17.859 1.00 0.00 H +ATOM 12445 H2 WAT 3792 42.586 10.786 18.717 1.00 0.00 H +TER +ATOM 12446 O WAT 3793 36.012 6.173 29.994 1.00 0.00 O +ATOM 12447 H1 WAT 3793 35.653 6.838 30.582 1.00 0.00 H +ATOM 12448 H2 WAT 3793 35.717 5.341 30.366 1.00 0.00 H +TER +ATOM 12449 O WAT 3794 39.213 6.631 32.878 1.00 0.00 O +ATOM 12450 H1 WAT 3794 38.913 6.777 31.981 1.00 0.00 H +ATOM 12451 H2 WAT 3794 39.984 6.072 32.786 1.00 0.00 H +TER +ATOM 12452 O WAT 3795 44.556 11.428 30.874 1.00 0.00 O +ATOM 12453 H1 WAT 3795 44.571 10.496 30.656 1.00 0.00 H +ATOM 12454 H2 WAT 3795 43.849 11.514 31.513 1.00 0.00 H +TER +ATOM 12455 O WAT 3796 49.690 5.612 17.144 1.00 0.00 O +ATOM 12456 H1 WAT 3796 49.606 6.043 16.293 1.00 0.00 H +ATOM 12457 H2 WAT 3796 50.409 6.072 17.576 1.00 0.00 H +TER +ATOM 12458 O WAT 3797 50.767 8.069 30.221 1.00 0.00 O +ATOM 12459 H1 WAT 3797 50.042 8.662 30.024 1.00 0.00 H +ATOM 12460 H2 WAT 3797 51.295 8.061 29.422 1.00 0.00 H +TER +ATOM 12461 O WAT 3798 50.719 12.466 19.872 1.00 0.00 O +ATOM 12462 H1 WAT 3798 50.076 11.812 20.146 1.00 0.00 H +ATOM 12463 H2 WAT 3798 50.332 12.872 19.096 1.00 0.00 H +TER +ATOM 12464 O WAT 3799 46.297 9.795 23.719 1.00 0.00 O +ATOM 12465 H1 WAT 3799 46.650 9.197 23.059 1.00 0.00 H +ATOM 12466 H2 WAT 3799 45.413 9.469 23.890 1.00 0.00 H +TER +ATOM 12467 O WAT 3800 42.383 10.554 21.126 1.00 0.00 O +ATOM 12468 H1 WAT 3800 43.071 11.101 21.507 1.00 0.00 H +ATOM 12469 H2 WAT 3800 41.597 11.099 21.161 1.00 0.00 H +TER +ATOM 12470 O WAT 3801 34.523 6.172 16.618 1.00 0.00 O +ATOM 12471 H1 WAT 3801 35.392 6.454 16.902 1.00 0.00 H +ATOM 12472 H2 WAT 3801 34.032 6.985 16.503 1.00 0.00 H +TER +ATOM 12473 O WAT 3802 41.686 7.559 20.739 1.00 0.00 O +ATOM 12474 H1 WAT 3802 42.142 8.370 20.965 1.00 0.00 H +ATOM 12475 H2 WAT 3802 41.335 7.241 21.571 1.00 0.00 H +TER +ATOM 12476 O WAT 3803 43.989 13.070 27.968 1.00 0.00 O +ATOM 12477 H1 WAT 3803 44.634 13.276 28.645 1.00 0.00 H +ATOM 12478 H2 WAT 3803 44.352 12.309 27.515 1.00 0.00 H +TER +ATOM 12479 O WAT 3804 45.263 11.073 26.686 1.00 0.00 O +ATOM 12480 H1 WAT 3804 45.905 10.372 26.799 1.00 0.00 H +ATOM 12481 H2 WAT 3804 45.788 11.853 26.505 1.00 0.00 H +TER +ATOM 12482 O WAT 3805 49.108 11.358 16.410 1.00 0.00 O +ATOM 12483 H1 WAT 3805 48.882 10.641 17.002 1.00 0.00 H +ATOM 12484 H2 WAT 3805 48.718 11.109 15.572 1.00 0.00 H +TER +ATOM 12485 O WAT 3806 47.036 11.872 29.889 1.00 0.00 O +ATOM 12486 H1 WAT 3806 47.372 12.459 30.567 1.00 0.00 H +ATOM 12487 H2 WAT 3806 46.116 11.742 30.119 1.00 0.00 H +TER +ATOM 12488 O WAT 3807 34.890 15.384 17.184 1.00 0.00 O +ATOM 12489 H1 WAT 3807 35.250 15.983 16.530 1.00 0.00 H +ATOM 12490 H2 WAT 3807 34.749 15.930 17.958 1.00 0.00 H +TER +ATOM 12491 O WAT 3808 48.690 9.275 18.071 1.00 0.00 O +ATOM 12492 H1 WAT 3808 48.402 9.736 18.859 1.00 0.00 H +ATOM 12493 H2 WAT 3808 49.485 8.815 18.339 1.00 0.00 H +TER +ATOM 12494 O WAT 3809 34.874 13.650 31.658 1.00 0.00 O +ATOM 12495 H1 WAT 3809 34.983 12.709 31.518 1.00 0.00 H +ATOM 12496 H2 WAT 3809 34.222 13.915 31.010 1.00 0.00 H +TER +ATOM 12497 O WAT 3810 42.865 11.922 33.058 1.00 0.00 O +ATOM 12498 H1 WAT 3810 42.545 11.202 33.603 1.00 0.00 H +ATOM 12499 H2 WAT 3810 42.191 12.597 33.132 1.00 0.00 H +TER +ATOM 12500 O WAT 3811 40.907 12.768 18.001 1.00 0.00 O +ATOM 12501 H1 WAT 3811 40.898 13.501 17.386 1.00 0.00 H +ATOM 12502 H2 WAT 3811 39.987 12.521 18.094 1.00 0.00 H +TER +ATOM 12503 O WAT 3812 36.507 7.989 18.746 1.00 0.00 O +ATOM 12504 H1 WAT 3812 35.900 8.729 18.756 1.00 0.00 H +ATOM 12505 H2 WAT 3812 36.982 8.079 17.920 1.00 0.00 H +TER +ATOM 12506 O WAT 3813 43.893 12.830 16.664 1.00 0.00 O +ATOM 12507 H1 WAT 3813 43.994 12.627 15.734 1.00 0.00 H +ATOM 12508 H2 WAT 3813 42.993 12.576 16.869 1.00 0.00 H +TER +ATOM 12509 O WAT 3814 41.415 3.388 20.646 1.00 0.00 O +ATOM 12510 H1 WAT 3814 40.707 3.857 21.088 1.00 0.00 H +ATOM 12511 H2 WAT 3814 41.700 2.731 21.281 1.00 0.00 H +TER +ATOM 12512 O WAT 3815 43.041 4.808 28.646 1.00 0.00 O +ATOM 12513 H1 WAT 3815 43.539 5.283 29.311 1.00 0.00 H +ATOM 12514 H2 WAT 3815 43.183 3.884 28.853 1.00 0.00 H +TER +ATOM 12515 O WAT 3816 42.534 15.349 21.359 1.00 0.00 O +ATOM 12516 H1 WAT 3816 42.789 15.311 20.437 1.00 0.00 H +ATOM 12517 H2 WAT 3816 41.586 15.222 21.352 1.00 0.00 H +TER +ATOM 12518 O WAT 3817 48.540 6.268 22.935 1.00 0.00 O +ATOM 12519 H1 WAT 3817 47.599 6.283 23.109 1.00 0.00 H +ATOM 12520 H2 WAT 3817 48.854 5.482 23.381 1.00 0.00 H +TER +ATOM 12521 O WAT 3818 38.518 7.950 16.495 1.00 0.00 O +ATOM 12522 H1 WAT 3818 39.284 7.838 17.058 1.00 0.00 H +ATOM 12523 H2 WAT 3818 38.595 7.254 15.843 1.00 0.00 H +TER +ATOM 12524 O WAT 3819 37.213 5.383 17.178 1.00 0.00 O +ATOM 12525 H1 WAT 3819 37.293 4.435 17.290 1.00 0.00 H +ATOM 12526 H2 WAT 3819 38.105 5.713 17.284 1.00 0.00 H +TER +ATOM 12527 O WAT 3820 50.542 13.439 24.610 1.00 0.00 O +ATOM 12528 H1 WAT 3820 50.667 14.262 25.082 1.00 0.00 H +ATOM 12529 H2 WAT 3820 51.409 13.228 24.262 1.00 0.00 H +TER +ATOM 12530 O WAT 3821 38.014 15.532 24.282 1.00 0.00 O +ATOM 12531 H1 WAT 3821 38.750 14.984 24.553 1.00 0.00 H +ATOM 12532 H2 WAT 3821 38.398 16.398 24.142 1.00 0.00 H +TER +ATOM 12533 O WAT 3822 34.899 11.600 20.156 1.00 0.00 O +ATOM 12534 H1 WAT 3822 33.973 11.842 20.146 1.00 0.00 H +ATOM 12535 H2 WAT 3822 35.364 12.427 20.034 1.00 0.00 H +TER +ATOM 12536 O WAT 3823 41.124 14.705 16.104 1.00 0.00 O +ATOM 12537 H1 WAT 3823 41.917 14.994 15.652 1.00 0.00 H +ATOM 12538 H2 WAT 3823 40.605 14.274 15.426 1.00 0.00 H +TER +ATOM 12539 O WAT 3824 45.856 10.825 33.418 1.00 0.00 O +ATOM 12540 H1 WAT 3824 45.250 10.848 32.677 1.00 0.00 H +ATOM 12541 H2 WAT 3824 45.552 10.093 33.955 1.00 0.00 H +TER +ATOM 12542 O WAT 3825 47.286 14.553 32.029 1.00 0.00 O +ATOM 12543 H1 WAT 3825 48.239 14.469 31.979 1.00 0.00 H +ATOM 12544 H2 WAT 3825 47.139 15.217 32.702 1.00 0.00 H +TER +ATOM 12545 O WAT 3826 50.177 13.932 17.528 1.00 0.00 O +ATOM 12546 H1 WAT 3826 49.891 13.519 16.713 1.00 0.00 H +ATOM 12547 H2 WAT 3826 49.979 14.861 17.408 1.00 0.00 H +TER +ATOM 12548 O WAT 3827 34.740 7.204 32.414 1.00 0.00 O +ATOM 12549 H1 WAT 3827 35.244 6.625 32.986 1.00 0.00 H +ATOM 12550 H2 WAT 3827 34.000 7.488 32.952 1.00 0.00 H +TER +ATOM 12551 O WAT 3828 41.642 9.926 15.969 1.00 0.00 O +ATOM 12552 H1 WAT 3828 41.537 9.311 16.695 1.00 0.00 H +ATOM 12553 H2 WAT 3828 41.474 9.402 15.185 1.00 0.00 H +TER +ATOM 12554 O WAT 3829 41.793 8.611 31.947 1.00 0.00 O +ATOM 12555 H1 WAT 3829 41.028 9.180 31.863 1.00 0.00 H +ATOM 12556 H2 WAT 3829 41.975 8.319 31.054 1.00 0.00 H +TER +ATOM 12557 O WAT 3830 44.882 8.988 16.573 1.00 0.00 O +ATOM 12558 H1 WAT 3830 44.333 9.435 17.217 1.00 0.00 H +ATOM 12559 H2 WAT 3830 45.504 8.483 17.096 1.00 0.00 H +TER +ATOM 12560 O WAT 3831 48.936 10.342 32.505 1.00 0.00 O +ATOM 12561 H1 WAT 3831 49.677 10.679 32.002 1.00 0.00 H +ATOM 12562 H2 WAT 3831 48.173 10.511 31.952 1.00 0.00 H +TER +ATOM 12563 O WAT 3832 36.772 5.347 33.309 1.00 0.00 O +ATOM 12564 H1 WAT 3832 36.813 5.049 34.217 1.00 0.00 H +ATOM 12565 H2 WAT 3832 37.627 5.748 33.150 1.00 0.00 H +TER +ATOM 12566 O WAT 3833 40.550 7.947 18.469 1.00 0.00 O +ATOM 12567 H1 WAT 3833 40.971 7.781 19.312 1.00 0.00 H +ATOM 12568 H2 WAT 3833 40.675 7.137 17.975 1.00 0.00 H +TER +ATOM 12569 O WAT 3834 38.713 3.926 31.276 1.00 0.00 O +ATOM 12570 H1 WAT 3834 38.182 3.435 30.649 1.00 0.00 H +ATOM 12571 H2 WAT 3834 39.381 4.355 30.742 1.00 0.00 H +TER +ATOM 12572 O WAT 3835 43.063 6.970 15.717 1.00 0.00 O +ATOM 12573 H1 WAT 3835 43.583 6.255 15.351 1.00 0.00 H +ATOM 12574 H2 WAT 3835 43.709 7.609 16.017 1.00 0.00 H +TER +ATOM 12575 O WAT 3836 47.610 8.393 31.040 1.00 0.00 O +ATOM 12576 H1 WAT 3836 48.024 8.548 31.890 1.00 0.00 H +ATOM 12577 H2 WAT 3836 46.675 8.519 31.203 1.00 0.00 H +TER +ATOM 12578 O WAT 3837 48.083 5.733 33.044 1.00 0.00 O +ATOM 12579 H1 WAT 3837 48.665 4.978 32.956 1.00 0.00 H +ATOM 12580 H2 WAT 3837 48.259 6.264 32.268 1.00 0.00 H +TER +ATOM 12581 O WAT 3838 42.372 8.345 29.010 1.00 0.00 O +ATOM 12582 H1 WAT 3838 42.791 9.189 28.838 1.00 0.00 H +ATOM 12583 H2 WAT 3838 41.453 8.483 28.781 1.00 0.00 H +TER +ATOM 12584 O WAT 3839 44.708 6.077 30.394 1.00 0.00 O +ATOM 12585 H1 WAT 3839 44.828 5.481 31.133 1.00 0.00 H +ATOM 12586 H2 WAT 3839 45.568 6.114 29.974 1.00 0.00 H +TER +ATOM 12587 O WAT 3840 47.047 6.631 28.970 1.00 0.00 O +ATOM 12588 H1 WAT 3840 46.521 7.155 28.367 1.00 0.00 H +ATOM 12589 H2 WAT 3840 47.390 7.263 29.601 1.00 0.00 H +TER +ATOM 12590 O WAT 3841 39.446 4.020 15.415 1.00 0.00 O +ATOM 12591 H1 WAT 3841 39.245 3.157 15.776 1.00 0.00 H +ATOM 12592 H2 WAT 3841 39.275 3.933 14.477 1.00 0.00 H +TER +ATOM 12593 O WAT 3842 40.223 14.651 30.126 1.00 0.00 O +ATOM 12594 H1 WAT 3842 39.685 15.375 29.807 1.00 0.00 H +ATOM 12595 H2 WAT 3842 40.476 14.174 29.336 1.00 0.00 H +TER +ATOM 12596 O WAT 3843 41.475 2.619 31.651 1.00 0.00 O +ATOM 12597 H1 WAT 3843 42.065 2.311 32.339 1.00 0.00 H +ATOM 12598 H2 WAT 3843 40.657 2.147 31.807 1.00 0.00 H +TER +ATOM 12599 O WAT 3844 43.079 15.886 30.385 1.00 0.00 O +ATOM 12600 H1 WAT 3844 43.005 16.789 30.692 1.00 0.00 H +ATOM 12601 H2 WAT 3844 42.177 15.567 30.357 1.00 0.00 H +TER +ATOM 12602 O WAT 3845 43.627 15.052 18.007 1.00 0.00 O +ATOM 12603 H1 WAT 3845 44.522 15.390 18.029 1.00 0.00 H +ATOM 12604 H2 WAT 3845 43.659 14.330 17.380 1.00 0.00 H +TER +ATOM 12605 O WAT 3846 37.267 10.424 16.236 1.00 0.00 O +ATOM 12606 H1 WAT 3846 37.704 10.967 16.892 1.00 0.00 H +ATOM 12607 H2 WAT 3846 37.752 9.599 16.245 1.00 0.00 H +TER +ATOM 12608 O WAT 3847 34.482 13.213 23.688 1.00 0.00 O +ATOM 12609 H1 WAT 3847 34.812 12.345 23.456 1.00 0.00 H +ATOM 12610 H2 WAT 3847 34.911 13.419 24.518 1.00 0.00 H +TER +ATOM 12611 O WAT 3848 39.078 11.544 21.348 1.00 0.00 O +ATOM 12612 H1 WAT 3848 38.777 11.421 22.248 1.00 0.00 H +ATOM 12613 H2 WAT 3848 38.972 10.685 20.940 1.00 0.00 H +TER +ATOM 12614 O WAT 3849 34.971 14.080 26.426 1.00 0.00 O +ATOM 12615 H1 WAT 3849 34.534 14.260 27.258 1.00 0.00 H +ATOM 12616 H2 WAT 3849 35.538 14.838 26.284 1.00 0.00 H +TER +ATOM 12617 O WAT 3850 50.607 13.582 30.714 1.00 0.00 O +ATOM 12618 H1 WAT 3850 50.007 13.641 29.970 1.00 0.00 H +ATOM 12619 H2 WAT 3850 50.736 12.642 30.843 1.00 0.00 H +TER +ATOM 12620 O WAT 3851 51.847 11.324 16.051 1.00 0.00 O +ATOM 12621 H1 WAT 3851 51.016 11.391 16.521 1.00 0.00 H +ATOM 12622 H2 WAT 3851 52.024 12.214 15.747 1.00 0.00 H +TER +ATOM 12623 O WAT 3852 51.303 8.069 18.554 1.00 0.00 O +ATOM 12624 H1 WAT 3852 52.065 8.638 18.660 1.00 0.00 H +ATOM 12625 H2 WAT 3852 51.318 7.501 19.325 1.00 0.00 H +TER +ATOM 12626 O WAT 3853 34.803 6.592 22.785 1.00 0.00 O +ATOM 12627 H1 WAT 3853 34.148 6.323 22.141 1.00 0.00 H +ATOM 12628 H2 WAT 3853 35.641 6.483 22.335 1.00 0.00 H +TER +ATOM 12629 O WAT 3854 52.309 8.924 23.398 1.00 0.00 O +ATOM 12630 H1 WAT 3854 52.679 8.140 22.992 1.00 0.00 H +ATOM 12631 H2 WAT 3854 52.949 9.612 23.220 1.00 0.00 H +TER +ATOM 12632 O WAT 3855 49.292 10.307 28.811 1.00 0.00 O +ATOM 12633 H1 WAT 3855 48.478 10.737 29.074 1.00 0.00 H +ATOM 12634 H2 WAT 3855 49.699 10.919 28.198 1.00 0.00 H +TER +ATOM 12635 O WAT 3856 51.355 8.362 15.711 1.00 0.00 O +ATOM 12636 H1 WAT 3856 51.629 9.270 15.583 1.00 0.00 H +ATOM 12637 H2 WAT 3856 51.166 8.298 16.648 1.00 0.00 H +TER +ATOM 12638 O WAT 3857 51.251 6.299 20.704 1.00 0.00 O +ATOM 12639 H1 WAT 3857 50.875 5.532 20.272 1.00 0.00 H +ATOM 12640 H2 WAT 3857 50.521 6.681 21.192 1.00 0.00 H +TER +ATOM 12641 O WAT 3858 35.841 6.978 27.325 1.00 0.00 O +ATOM 12642 H1 WAT 3858 36.208 6.890 28.205 1.00 0.00 H +ATOM 12643 H2 WAT 3858 35.272 6.214 27.226 1.00 0.00 H +TER +ATOM 12644 O WAT 3859 50.641 5.446 30.338 1.00 0.00 O +ATOM 12645 H1 WAT 3859 50.410 5.217 29.438 1.00 0.00 H +ATOM 12646 H2 WAT 3859 50.901 6.366 30.293 1.00 0.00 H +TER +ATOM 12647 O WAT 3860 35.392 3.888 31.231 1.00 0.00 O +ATOM 12648 H1 WAT 3860 34.498 3.855 31.570 1.00 0.00 H +ATOM 12649 H2 WAT 3860 35.932 4.087 31.996 1.00 0.00 H +TER +ATOM 12650 O WAT 3861 34.017 3.802 18.727 1.00 0.00 O +ATOM 12651 H1 WAT 3861 33.113 4.065 18.553 1.00 0.00 H +ATOM 12652 H2 WAT 3861 34.501 4.073 17.947 1.00 0.00 H +TER +ATOM 12653 O WAT 3862 50.526 4.525 24.005 1.00 0.00 O +ATOM 12654 H1 WAT 3862 51.050 4.031 23.374 1.00 0.00 H +ATOM 12655 H2 WAT 3862 51.112 4.660 24.750 1.00 0.00 H +TER +ATOM 12656 O WAT 3863 50.705 4.609 27.527 1.00 0.00 O +ATOM 12657 H1 WAT 3863 49.755 4.575 27.642 1.00 0.00 H +ATOM 12658 H2 WAT 3863 50.886 5.519 27.292 1.00 0.00 H +TER +ATOM 12659 O WAT 3864 36.560 2.859 16.637 1.00 0.00 O +ATOM 12660 H1 WAT 3864 37.269 2.437 16.152 1.00 0.00 H +ATOM 12661 H2 WAT 3864 35.844 2.926 16.005 1.00 0.00 H +TER +ATOM 12662 O WAT 3865 50.016 3.782 19.944 1.00 0.00 O +ATOM 12663 H1 WAT 3865 50.512 3.549 20.729 1.00 0.00 H +ATOM 12664 H2 WAT 3865 49.818 2.943 19.528 1.00 0.00 H +TER +ATOM 12665 O WAT 3866 51.445 2.418 22.478 1.00 0.00 O +ATOM 12666 H1 WAT 3866 51.335 2.264 23.416 1.00 0.00 H +ATOM 12667 H2 WAT 3866 52.206 1.890 22.236 1.00 0.00 H +TER +ATOM 12668 O WAT 3867 49.350 15.059 22.338 1.00 0.00 O +ATOM 12669 H1 WAT 3867 49.945 14.738 21.662 1.00 0.00 H +ATOM 12670 H2 WAT 3867 49.607 14.586 23.130 1.00 0.00 H +TER +ATOM 12671 O WAT 3868 37.256 11.491 32.487 1.00 0.00 O +ATOM 12672 H1 WAT 3868 37.213 11.120 33.369 1.00 0.00 H +ATOM 12673 H2 WAT 3868 37.387 12.429 32.627 1.00 0.00 H +TER +ATOM 12674 O WAT 3869 40.956 13.047 28.088 1.00 0.00 O +ATOM 12675 H1 WAT 3869 40.716 13.314 27.201 1.00 0.00 H +ATOM 12676 H2 WAT 3869 41.897 13.217 28.143 1.00 0.00 H +TER +ATOM 12677 O WAT 3870 52.217 15.066 28.889 1.00 0.00 O +ATOM 12678 H1 WAT 3870 51.723 15.463 28.172 1.00 0.00 H +ATOM 12679 H2 WAT 3870 51.608 14.441 29.283 1.00 0.00 H +TER +ATOM 12680 O WAT 3871 37.095 14.437 29.607 1.00 0.00 O +ATOM 12681 H1 WAT 3871 36.501 14.306 30.346 1.00 0.00 H +ATOM 12682 H2 WAT 3871 37.087 13.601 29.141 1.00 0.00 H +TER +ATOM 12683 O WAT 3872 49.901 15.709 26.168 1.00 0.00 O +ATOM 12684 H1 WAT 3872 49.441 16.460 25.794 1.00 0.00 H +ATOM 12685 H2 WAT 3872 49.272 14.989 26.109 1.00 0.00 H +TER +ATOM 12686 O WAT 3873 36.726 11.803 28.558 1.00 0.00 O +ATOM 12687 H1 WAT 3873 35.999 11.183 28.490 1.00 0.00 H +ATOM 12688 H2 WAT 3873 36.787 12.197 27.688 1.00 0.00 H +TER +ATOM 12689 O WAT 3874 40.330 14.017 25.343 1.00 0.00 O +ATOM 12690 H1 WAT 3874 40.847 13.406 24.818 1.00 0.00 H +ATOM 12691 H2 WAT 3874 40.980 14.520 25.834 1.00 0.00 H +TER +ATOM 12692 O WAT 3875 43.070 14.908 26.170 1.00 0.00 O +ATOM 12693 H1 WAT 3875 43.358 14.654 25.293 1.00 0.00 H +ATOM 12694 H2 WAT 3875 43.582 14.356 26.760 1.00 0.00 H +TER +ATOM 12695 O WAT 3876 35.009 15.120 21.768 1.00 0.00 O +ATOM 12696 H1 WAT 3876 34.841 14.487 22.466 1.00 0.00 H +ATOM 12697 H2 WAT 3876 34.142 15.326 21.417 1.00 0.00 H +TER +ATOM 12698 O WAT 3877 36.615 13.814 19.213 1.00 0.00 O +ATOM 12699 H1 WAT 3877 36.090 14.194 18.509 1.00 0.00 H +ATOM 12700 H2 WAT 3877 36.540 14.439 19.934 1.00 0.00 H +TER +ATOM 12701 O WAT 3878 43.137 15.830 33.537 1.00 0.00 O +ATOM 12702 H1 WAT 3878 44.064 15.594 33.580 1.00 0.00 H +ATOM 12703 H2 WAT 3878 43.122 16.657 33.055 1.00 0.00 H +TER +ATOM 12704 O WAT 3879 51.372 15.372 20.534 1.00 0.00 O +ATOM 12705 H1 WAT 3879 51.547 14.686 19.890 1.00 0.00 H +ATOM 12706 H2 WAT 3879 50.674 15.897 20.142 1.00 0.00 H +TER +ATOM 12707 O WAT 3880 39.214 15.762 18.087 1.00 0.00 O +ATOM 12708 H1 WAT 3880 39.946 15.478 17.540 1.00 0.00 H +ATOM 12709 H2 WAT 3880 39.474 15.523 18.977 1.00 0.00 H +TER +ATOM 12710 O WAT 3881 38.376 11.878 18.092 1.00 0.00 O +ATOM 12711 H1 WAT 3881 37.747 12.347 18.641 1.00 0.00 H +ATOM 12712 H2 WAT 3881 38.491 11.033 18.527 1.00 0.00 H +TER +ATOM 12713 O WAT 3882 49.705 15.057 33.361 1.00 0.00 O +ATOM 12714 H1 WAT 3882 50.497 14.562 33.153 1.00 0.00 H +ATOM 12715 H2 WAT 3882 49.998 15.736 33.968 1.00 0.00 H +TER +ATOM 12716 O WAT 3883 45.831 5.929 4.242 1.00 0.00 O +ATOM 12717 H1 WAT 3883 45.750 5.014 3.971 1.00 0.00 H +ATOM 12718 H2 WAT 3883 45.417 6.426 3.536 1.00 0.00 H +TER +ATOM 12719 O WAT 3884 43.963 7.707 6.123 1.00 0.00 O +ATOM 12720 H1 WAT 3884 43.187 7.227 6.413 1.00 0.00 H +ATOM 12721 H2 WAT 3884 44.614 7.027 5.949 1.00 0.00 H +TER +ATOM 12722 O WAT 3885 37.979 8.019 7.001 1.00 0.00 O +ATOM 12723 H1 WAT 3885 37.148 7.764 7.400 1.00 0.00 H +ATOM 12724 H2 WAT 3885 38.587 8.090 7.737 1.00 0.00 H +TER +ATOM 12725 O WAT 3886 47.983 12.113 4.903 1.00 0.00 O +ATOM 12726 H1 WAT 3886 47.522 11.342 5.232 1.00 0.00 H +ATOM 12727 H2 WAT 3886 48.796 12.139 5.408 1.00 0.00 H +TER +ATOM 12728 O WAT 3887 37.959 12.053 7.197 1.00 0.00 O +ATOM 12729 H1 WAT 3887 38.262 11.163 7.018 1.00 0.00 H +ATOM 12730 H2 WAT 3887 38.704 12.610 6.969 1.00 0.00 H +TER +ATOM 12731 O WAT 3888 34.352 5.580 6.669 1.00 0.00 O +ATOM 12732 H1 WAT 3888 34.923 4.812 6.669 1.00 0.00 H +ATOM 12733 H2 WAT 3888 34.352 5.878 5.760 1.00 0.00 H +TER +ATOM 12734 O WAT 3889 44.210 14.399 4.523 1.00 0.00 O +ATOM 12735 H1 WAT 3889 43.591 14.854 3.953 1.00 0.00 H +ATOM 12736 H2 WAT 3889 45.065 14.554 4.122 1.00 0.00 H +TER +ATOM 12737 O WAT 3890 43.404 10.383 6.130 1.00 0.00 O +ATOM 12738 H1 WAT 3890 43.334 9.442 5.969 1.00 0.00 H +ATOM 12739 H2 WAT 3890 44.166 10.473 6.702 1.00 0.00 H +TER +ATOM 12740 O WAT 3891 44.434 3.190 6.357 1.00 0.00 O +ATOM 12741 H1 WAT 3891 44.811 2.317 6.244 1.00 0.00 H +ATOM 12742 H2 WAT 3891 44.336 3.525 5.466 1.00 0.00 H +TER +ATOM 12743 O WAT 3892 36.213 3.484 7.064 1.00 0.00 O +ATOM 12744 H1 WAT 3892 36.894 3.748 7.683 1.00 0.00 H +ATOM 12745 H2 WAT 3892 35.898 2.644 7.398 1.00 0.00 H +TER +ATOM 12746 O WAT 3893 40.405 4.531 6.151 1.00 0.00 O +ATOM 12747 H1 WAT 3893 40.913 5.029 6.792 1.00 0.00 H +ATOM 12748 H2 WAT 3893 40.937 3.754 5.975 1.00 0.00 H +TER +ATOM 12749 O WAT 3894 52.506 2.701 9.854 1.00 0.00 O +ATOM 12750 H1 WAT 3894 51.802 3.089 9.336 1.00 0.00 H +ATOM 12751 H2 WAT 3894 52.772 3.396 10.456 1.00 0.00 H +TER +ATOM 12752 O WAT 3895 39.939 8.810 8.595 1.00 0.00 O +ATOM 12753 H1 WAT 3895 39.606 9.437 9.237 1.00 0.00 H +ATOM 12754 H2 WAT 3895 40.116 9.336 7.815 1.00 0.00 H +TER +ATOM 12755 O WAT 3896 48.453 2.625 6.063 1.00 0.00 O +ATOM 12756 H1 WAT 3896 47.748 2.913 6.643 1.00 0.00 H +ATOM 12757 H2 WAT 3896 48.814 3.435 5.703 1.00 0.00 H +TER +ATOM 12758 O WAT 3897 39.151 10.778 10.410 1.00 0.00 O +ATOM 12759 H1 WAT 3897 39.769 11.453 10.128 1.00 0.00 H +ATOM 12760 H2 WAT 3897 38.291 11.187 10.319 1.00 0.00 H +TER +ATOM 12761 O WAT 3898 50.069 12.242 8.325 1.00 0.00 O +ATOM 12762 H1 WAT 3898 49.385 12.912 8.317 1.00 0.00 H +ATOM 12763 H2 WAT 3898 50.608 12.440 7.560 1.00 0.00 H +TER +ATOM 12764 O WAT 3899 51.521 2.070 6.454 1.00 0.00 O +ATOM 12765 H1 WAT 3899 50.574 2.104 6.585 1.00 0.00 H +ATOM 12766 H2 WAT 3899 51.846 2.884 6.838 1.00 0.00 H +TER +ATOM 12767 O WAT 3900 47.605 14.087 7.040 1.00 0.00 O +ATOM 12768 H1 WAT 3900 47.618 13.683 6.172 1.00 0.00 H +ATOM 12769 H2 WAT 3900 47.052 14.861 6.936 1.00 0.00 H +TER +ATOM 12770 O WAT 3901 48.899 10.808 2.129 1.00 0.00 O +ATOM 12771 H1 WAT 3901 48.789 9.866 2.254 1.00 0.00 H +ATOM 12772 H2 WAT 3901 48.896 11.170 3.015 1.00 0.00 H +TER +ATOM 12773 O WAT 3902 47.003 8.990 8.368 1.00 0.00 O +ATOM 12774 H1 WAT 3902 47.420 8.776 7.534 1.00 0.00 H +ATOM 12775 H2 WAT 3902 47.727 9.247 8.939 1.00 0.00 H +TER +ATOM 12776 O WAT 3903 50.950 7.388 8.460 1.00 0.00 O +ATOM 12777 H1 WAT 3903 50.121 7.458 7.985 1.00 0.00 H +ATOM 12778 H2 WAT 3903 51.545 7.974 7.991 1.00 0.00 H +TER +ATOM 12779 O WAT 3904 47.914 4.175 9.405 1.00 0.00 O +ATOM 12780 H1 WAT 3904 47.501 5.001 9.659 1.00 0.00 H +ATOM 12781 H2 WAT 3904 47.181 3.590 9.213 1.00 0.00 H +TER +ATOM 12782 O WAT 3905 40.047 6.961 4.267 1.00 0.00 O +ATOM 12783 H1 WAT 3905 39.643 6.249 3.772 1.00 0.00 H +ATOM 12784 H2 WAT 3905 40.133 6.617 5.156 1.00 0.00 H +TER +ATOM 12785 O WAT 3906 40.515 10.648 6.431 1.00 0.00 O +ATOM 12786 H1 WAT 3906 40.218 10.043 5.752 1.00 0.00 H +ATOM 12787 H2 WAT 3906 41.465 10.686 6.320 1.00 0.00 H +TER +ATOM 12788 O WAT 3907 38.760 3.736 8.047 1.00 0.00 O +ATOM 12789 H1 WAT 3907 39.311 3.845 7.272 1.00 0.00 H +ATOM 12790 H2 WAT 3907 39.274 4.109 8.763 1.00 0.00 H +TER +ATOM 12791 O WAT 3908 48.604 14.221 10.093 1.00 0.00 O +ATOM 12792 H1 WAT 3908 48.127 15.028 9.901 1.00 0.00 H +ATOM 12793 H2 WAT 3908 47.920 13.569 10.246 1.00 0.00 H +TER +ATOM 12794 O WAT 3909 39.607 10.386 13.082 1.00 0.00 O +ATOM 12795 H1 WAT 3909 38.710 10.610 13.329 1.00 0.00 H +ATOM 12796 H2 WAT 3909 39.632 10.510 12.133 1.00 0.00 H +TER +ATOM 12797 O WAT 3910 38.434 7.257 11.658 1.00 0.00 O +ATOM 12798 H1 WAT 3910 38.295 8.130 12.026 1.00 0.00 H +ATOM 12799 H2 WAT 3910 37.552 6.915 11.512 1.00 0.00 H +TER +ATOM 12800 O WAT 3911 44.757 12.175 2.964 1.00 0.00 O +ATOM 12801 H1 WAT 3911 45.197 12.918 2.550 1.00 0.00 H +ATOM 12802 H2 WAT 3911 44.696 12.418 3.888 1.00 0.00 H +TER +ATOM 12803 O WAT 3912 40.232 13.200 13.866 1.00 0.00 O +ATOM 12804 H1 WAT 3912 40.204 13.604 12.999 1.00 0.00 H +ATOM 12805 H2 WAT 3912 40.069 12.271 13.703 1.00 0.00 H +TER +ATOM 12806 O WAT 3913 52.184 13.982 15.163 1.00 0.00 O +ATOM 12807 H1 WAT 3913 52.660 14.461 15.841 1.00 0.00 H +ATOM 12808 H2 WAT 3913 52.804 13.914 14.437 1.00 0.00 H +TER +ATOM 12809 O WAT 3914 34.386 9.027 7.575 1.00 0.00 O +ATOM 12810 H1 WAT 3914 34.464 9.162 6.630 1.00 0.00 H +ATOM 12811 H2 WAT 3914 35.000 8.319 7.767 1.00 0.00 H +TER +ATOM 12812 O WAT 3915 35.631 10.727 3.985 1.00 0.00 O +ATOM 12813 H1 WAT 3915 35.224 10.869 3.131 1.00 0.00 H +ATOM 12814 H2 WAT 3915 36.522 10.443 3.782 1.00 0.00 H +TER +ATOM 12815 O WAT 3916 51.587 11.174 12.323 1.00 0.00 O +ATOM 12816 H1 WAT 3916 51.713 10.935 11.404 1.00 0.00 H +ATOM 12817 H2 WAT 3916 51.629 10.342 12.795 1.00 0.00 H +TER +ATOM 12818 O WAT 3917 45.449 14.876 10.892 1.00 0.00 O +ATOM 12819 H1 WAT 3917 45.963 14.787 11.694 1.00 0.00 H +ATOM 12820 H2 WAT 3917 44.606 15.222 11.185 1.00 0.00 H +TER +ATOM 12821 O WAT 3918 46.692 14.297 2.955 1.00 0.00 O +ATOM 12822 H1 WAT 3918 47.147 13.516 3.269 1.00 0.00 H +ATOM 12823 H2 WAT 3918 47.031 15.008 3.499 1.00 0.00 H +TER +ATOM 12824 O WAT 3919 51.439 3.227 13.287 1.00 0.00 O +ATOM 12825 H1 WAT 3919 50.824 3.735 12.759 1.00 0.00 H +ATOM 12826 H2 WAT 3919 51.119 2.327 13.230 1.00 0.00 H +TER +ATOM 12827 O WAT 3920 34.442 10.069 10.114 1.00 0.00 O +ATOM 12828 H1 WAT 3920 34.605 9.599 9.296 1.00 0.00 H +ATOM 12829 H2 WAT 3920 34.907 9.561 10.779 1.00 0.00 H +TER +ATOM 12830 O WAT 3921 48.501 3.287 11.883 1.00 0.00 O +ATOM 12831 H1 WAT 3921 47.651 2.988 12.204 1.00 0.00 H +ATOM 12832 H2 WAT 3921 48.341 3.531 10.972 1.00 0.00 H +TER +ATOM 12833 O WAT 3922 45.596 4.787 13.983 1.00 0.00 O +ATOM 12834 H1 WAT 3922 45.922 3.954 13.643 1.00 0.00 H +ATOM 12835 H2 WAT 3922 46.384 5.310 14.131 1.00 0.00 H +TER +ATOM 12836 O WAT 3923 39.005 4.323 2.878 1.00 0.00 O +ATOM 12837 H1 WAT 3923 38.779 4.106 3.783 1.00 0.00 H +ATOM 12838 H2 WAT 3923 38.225 4.755 2.533 1.00 0.00 H +TER +ATOM 12839 O WAT 3924 41.445 5.221 13.544 1.00 0.00 O +ATOM 12840 H1 WAT 3924 41.350 4.281 13.394 1.00 0.00 H +ATOM 12841 H2 WAT 3924 42.288 5.443 13.149 1.00 0.00 H +TER +ATOM 12842 O WAT 3925 44.842 2.965 3.508 1.00 0.00 O +ATOM 12843 H1 WAT 3925 45.235 3.283 2.695 1.00 0.00 H +ATOM 12844 H2 WAT 3925 45.203 2.086 3.622 1.00 0.00 H +TER +ATOM 12845 O WAT 3926 45.427 5.556 7.603 1.00 0.00 O +ATOM 12846 H1 WAT 3926 44.695 6.065 7.952 1.00 0.00 H +ATOM 12847 H2 WAT 3926 45.030 4.739 7.302 1.00 0.00 H +TER +ATOM 12848 O WAT 3927 36.016 9.444 12.274 1.00 0.00 O +ATOM 12849 H1 WAT 3927 35.631 8.803 12.872 1.00 0.00 H +ATOM 12850 H2 WAT 3927 36.327 10.147 12.843 1.00 0.00 H +TER +ATOM 12851 O WAT 3928 42.166 6.291 7.755 1.00 0.00 O +ATOM 12852 H1 WAT 3928 42.533 5.817 8.501 1.00 0.00 H +ATOM 12853 H2 WAT 3928 41.976 7.166 8.095 1.00 0.00 H +TER +ATOM 12854 O WAT 3929 39.956 5.332 10.073 1.00 0.00 O +ATOM 12855 H1 WAT 3929 39.651 6.212 10.298 1.00 0.00 H +ATOM 12856 H2 WAT 3929 40.910 5.392 10.109 1.00 0.00 H +TER +ATOM 12857 O WAT 3930 49.243 8.535 6.462 1.00 0.00 O +ATOM 12858 H1 WAT 3930 49.962 9.030 6.072 1.00 0.00 H +ATOM 12859 H2 WAT 3930 49.041 7.857 5.818 1.00 0.00 H +TER +ATOM 12860 O WAT 3931 44.624 8.606 12.349 1.00 0.00 O +ATOM 12861 H1 WAT 3931 44.558 7.685 12.095 1.00 0.00 H +ATOM 12862 H2 WAT 3931 43.995 8.703 13.064 1.00 0.00 H +TER +ATOM 12863 O WAT 3932 38.527 9.206 4.308 1.00 0.00 O +ATOM 12864 H1 WAT 3932 39.045 8.403 4.253 1.00 0.00 H +ATOM 12865 H2 WAT 3932 38.076 9.144 5.149 1.00 0.00 H +TER +ATOM 12866 O WAT 3933 36.012 6.173 11.220 1.00 0.00 O +ATOM 12867 H1 WAT 3933 35.653 6.838 11.807 1.00 0.00 H +ATOM 12868 H2 WAT 3933 35.717 5.341 11.591 1.00 0.00 H +TER +ATOM 12869 O WAT 3934 39.213 6.631 14.104 1.00 0.00 O +ATOM 12870 H1 WAT 3934 38.913 6.777 13.207 1.00 0.00 H +ATOM 12871 H2 WAT 3934 39.984 6.072 14.011 1.00 0.00 H +TER +ATOM 12872 O WAT 3935 44.556 11.428 12.100 1.00 0.00 O +ATOM 12873 H1 WAT 3935 44.571 10.496 11.881 1.00 0.00 H +ATOM 12874 H2 WAT 3935 43.849 11.514 12.739 1.00 0.00 H +TER +ATOM 12875 O WAT 3936 50.767 8.069 11.446 1.00 0.00 O +ATOM 12876 H1 WAT 3936 50.042 8.662 11.249 1.00 0.00 H +ATOM 12877 H2 WAT 3936 51.295 8.061 10.648 1.00 0.00 H +TER +ATOM 12878 O WAT 3937 46.297 9.795 4.945 1.00 0.00 O +ATOM 12879 H1 WAT 3937 46.650 9.197 4.285 1.00 0.00 H +ATOM 12880 H2 WAT 3937 45.413 9.469 5.116 1.00 0.00 H +TER +ATOM 12881 O WAT 3938 42.383 10.554 2.352 1.00 0.00 O +ATOM 12882 H1 WAT 3938 43.071 11.101 2.733 1.00 0.00 H +ATOM 12883 H2 WAT 3938 41.597 11.099 2.387 1.00 0.00 H +TER +ATOM 12884 O WAT 3939 43.989 13.070 9.194 1.00 0.00 O +ATOM 12885 H1 WAT 3939 44.634 13.276 9.871 1.00 0.00 H +ATOM 12886 H2 WAT 3939 44.352 12.309 8.741 1.00 0.00 H +TER +ATOM 12887 O WAT 3940 45.263 11.073 7.911 1.00 0.00 O +ATOM 12888 H1 WAT 3940 45.905 10.372 8.025 1.00 0.00 H +ATOM 12889 H2 WAT 3940 45.788 11.853 7.731 1.00 0.00 H +TER +ATOM 12890 O WAT 3941 47.036 11.872 11.115 1.00 0.00 O +ATOM 12891 H1 WAT 3941 47.372 12.459 11.793 1.00 0.00 H +ATOM 12892 H2 WAT 3941 46.116 11.742 11.345 1.00 0.00 H +TER +ATOM 12893 O WAT 3942 34.874 13.650 12.884 1.00 0.00 O +ATOM 12894 H1 WAT 3942 34.983 12.709 12.744 1.00 0.00 H +ATOM 12895 H2 WAT 3942 34.222 13.915 12.235 1.00 0.00 H +TER +ATOM 12896 O WAT 3943 42.865 11.922 14.284 1.00 0.00 O +ATOM 12897 H1 WAT 3943 42.545 11.202 14.828 1.00 0.00 H +ATOM 12898 H2 WAT 3943 42.191 12.597 14.357 1.00 0.00 H +TER +ATOM 12899 O WAT 3944 43.041 4.808 9.871 1.00 0.00 O +ATOM 12900 H1 WAT 3944 43.539 5.283 10.536 1.00 0.00 H +ATOM 12901 H2 WAT 3944 43.183 3.884 10.078 1.00 0.00 H +TER +ATOM 12902 O WAT 3945 48.540 6.268 4.160 1.00 0.00 O +ATOM 12903 H1 WAT 3945 47.599 6.283 4.335 1.00 0.00 H +ATOM 12904 H2 WAT 3945 48.854 5.482 4.606 1.00 0.00 H +TER +ATOM 12905 O WAT 3946 50.542 13.439 5.836 1.00 0.00 O +ATOM 12906 H1 WAT 3946 50.667 14.262 6.308 1.00 0.00 H +ATOM 12907 H2 WAT 3946 51.409 13.228 5.488 1.00 0.00 H +TER +ATOM 12908 O WAT 3947 38.014 15.532 5.507 1.00 0.00 O +ATOM 12909 H1 WAT 3947 38.750 14.984 5.778 1.00 0.00 H +ATOM 12910 H2 WAT 3947 38.398 16.398 5.368 1.00 0.00 H +TER +ATOM 12911 O WAT 3948 37.020 14.717 14.696 1.00 0.00 O +ATOM 12912 H1 WAT 3948 37.821 15.038 15.109 1.00 0.00 H +ATOM 12913 H2 WAT 3948 36.505 14.356 15.418 1.00 0.00 H +TER +ATOM 12914 O WAT 3949 45.856 10.825 14.643 1.00 0.00 O +ATOM 12915 H1 WAT 3949 45.250 10.848 13.903 1.00 0.00 H +ATOM 12916 H2 WAT 3949 45.552 10.093 15.180 1.00 0.00 H +TER +ATOM 12917 O WAT 3950 47.286 14.553 13.254 1.00 0.00 O +ATOM 12918 H1 WAT 3950 48.239 14.469 13.204 1.00 0.00 H +ATOM 12919 H2 WAT 3950 47.139 15.217 13.928 1.00 0.00 H +TER +ATOM 12920 O WAT 3951 34.740 7.204 13.640 1.00 0.00 O +ATOM 12921 H1 WAT 3951 35.244 6.625 14.211 1.00 0.00 H +ATOM 12922 H2 WAT 3951 34.000 7.488 14.177 1.00 0.00 H +TER +ATOM 12923 O WAT 3952 41.793 8.611 13.173 1.00 0.00 O +ATOM 12924 H1 WAT 3952 41.028 9.180 13.089 1.00 0.00 H +ATOM 12925 H2 WAT 3952 41.975 8.319 12.280 1.00 0.00 H +TER +ATOM 12926 O WAT 3953 48.936 10.342 13.731 1.00 0.00 O +ATOM 12927 H1 WAT 3953 49.677 10.679 13.227 1.00 0.00 H +ATOM 12928 H2 WAT 3953 48.173 10.511 13.178 1.00 0.00 H +TER +ATOM 12929 O WAT 3954 36.772 5.347 14.535 1.00 0.00 O +ATOM 12930 H1 WAT 3954 36.813 5.049 15.443 1.00 0.00 H +ATOM 12931 H2 WAT 3954 37.627 5.748 14.375 1.00 0.00 H +TER +ATOM 12932 O WAT 3955 38.713 3.926 12.502 1.00 0.00 O +ATOM 12933 H1 WAT 3955 38.182 3.435 11.874 1.00 0.00 H +ATOM 12934 H2 WAT 3955 39.381 4.355 11.968 1.00 0.00 H +TER +ATOM 12935 O WAT 3956 47.610 8.393 12.266 1.00 0.00 O +ATOM 12936 H1 WAT 3956 48.024 8.548 13.115 1.00 0.00 H +ATOM 12937 H2 WAT 3956 46.675 8.519 12.429 1.00 0.00 H +TER +ATOM 12938 O WAT 3957 48.083 5.733 14.270 1.00 0.00 O +ATOM 12939 H1 WAT 3957 48.665 4.978 14.182 1.00 0.00 H +ATOM 12940 H2 WAT 3957 48.259 6.264 13.493 1.00 0.00 H +TER +ATOM 12941 O WAT 3958 42.372 8.345 10.236 1.00 0.00 O +ATOM 12942 H1 WAT 3958 42.791 9.189 10.063 1.00 0.00 H +ATOM 12943 H2 WAT 3958 41.453 8.483 10.006 1.00 0.00 H +TER +ATOM 12944 O WAT 3959 44.708 6.077 11.620 1.00 0.00 O +ATOM 12945 H1 WAT 3959 44.828 5.481 12.359 1.00 0.00 H +ATOM 12946 H2 WAT 3959 45.568 6.114 11.200 1.00 0.00 H +TER +ATOM 12947 O WAT 3960 47.047 6.631 10.196 1.00 0.00 O +ATOM 12948 H1 WAT 3960 46.521 7.155 9.592 1.00 0.00 H +ATOM 12949 H2 WAT 3960 47.390 7.263 10.827 1.00 0.00 H +TER +ATOM 12950 O WAT 3961 40.223 14.651 11.351 1.00 0.00 O +ATOM 12951 H1 WAT 3961 39.685 15.375 11.032 1.00 0.00 H +ATOM 12952 H2 WAT 3961 40.476 14.174 10.561 1.00 0.00 H +TER +ATOM 12953 O WAT 3962 41.475 2.619 12.877 1.00 0.00 O +ATOM 12954 H1 WAT 3962 42.065 2.311 13.565 1.00 0.00 H +ATOM 12955 H2 WAT 3962 40.657 2.147 13.033 1.00 0.00 H +TER +ATOM 12956 O WAT 3963 43.079 15.886 11.610 1.00 0.00 O +ATOM 12957 H1 WAT 3963 43.005 16.789 11.917 1.00 0.00 H +ATOM 12958 H2 WAT 3963 42.177 15.567 11.582 1.00 0.00 H +TER +ATOM 12959 O WAT 3964 34.482 13.213 4.914 1.00 0.00 O +ATOM 12960 H1 WAT 3964 34.812 12.345 4.681 1.00 0.00 H +ATOM 12961 H2 WAT 3964 34.911 13.419 5.744 1.00 0.00 H +TER +ATOM 12962 O WAT 3965 39.078 11.544 2.574 1.00 0.00 O +ATOM 12963 H1 WAT 3965 38.777 11.421 3.474 1.00 0.00 H +ATOM 12964 H2 WAT 3965 38.972 10.685 2.165 1.00 0.00 H +TER +ATOM 12965 O WAT 3966 34.971 14.080 7.652 1.00 0.00 O +ATOM 12966 H1 WAT 3966 34.534 14.260 8.484 1.00 0.00 H +ATOM 12967 H2 WAT 3966 35.538 14.838 7.510 1.00 0.00 H +TER +ATOM 12968 O WAT 3967 50.607 13.582 11.939 1.00 0.00 O +ATOM 12969 H1 WAT 3967 50.007 13.641 11.196 1.00 0.00 H +ATOM 12970 H2 WAT 3967 50.736 12.642 12.069 1.00 0.00 H +TER +ATOM 12971 O WAT 3968 34.803 6.592 4.011 1.00 0.00 O +ATOM 12972 H1 WAT 3968 34.148 6.323 3.367 1.00 0.00 H +ATOM 12973 H2 WAT 3968 35.641 6.483 3.561 1.00 0.00 H +TER +ATOM 12974 O WAT 3969 52.309 8.924 4.624 1.00 0.00 O +ATOM 12975 H1 WAT 3969 52.679 8.140 4.218 1.00 0.00 H +ATOM 12976 H2 WAT 3969 52.949 9.612 4.446 1.00 0.00 H +TER +ATOM 12977 O WAT 3970 49.292 10.307 10.037 1.00 0.00 O +ATOM 12978 H1 WAT 3970 48.478 10.737 10.300 1.00 0.00 H +ATOM 12979 H2 WAT 3970 49.699 10.919 9.424 1.00 0.00 H +TER +ATOM 12980 O WAT 3971 35.841 6.978 8.551 1.00 0.00 O +ATOM 12981 H1 WAT 3971 36.208 6.890 9.431 1.00 0.00 H +ATOM 12982 H2 WAT 3971 35.272 6.214 8.452 1.00 0.00 H +TER +ATOM 12983 O WAT 3972 50.641 5.446 11.564 1.00 0.00 O +ATOM 12984 H1 WAT 3972 50.410 5.217 10.664 1.00 0.00 H +ATOM 12985 H2 WAT 3972 50.901 6.366 11.518 1.00 0.00 H +TER +ATOM 12986 O WAT 3973 35.392 3.888 12.457 1.00 0.00 O +ATOM 12987 H1 WAT 3973 34.498 3.855 12.796 1.00 0.00 H +ATOM 12988 H2 WAT 3973 35.932 4.087 13.222 1.00 0.00 H +TER +ATOM 12989 O WAT 3974 50.526 4.525 5.231 1.00 0.00 O +ATOM 12990 H1 WAT 3974 51.050 4.031 4.600 1.00 0.00 H +ATOM 12991 H2 WAT 3974 51.112 4.660 5.975 1.00 0.00 H +TER +ATOM 12992 O WAT 3975 50.705 4.609 8.753 1.00 0.00 O +ATOM 12993 H1 WAT 3975 49.755 4.575 8.867 1.00 0.00 H +ATOM 12994 H2 WAT 3975 50.886 5.519 8.518 1.00 0.00 H +TER +ATOM 12995 O WAT 3976 51.445 2.418 3.704 1.00 0.00 O +ATOM 12996 H1 WAT 3976 51.335 2.264 4.642 1.00 0.00 H +ATOM 12997 H2 WAT 3976 52.206 1.890 3.461 1.00 0.00 H +TER +ATOM 12998 O WAT 3977 49.350 15.059 3.564 1.00 0.00 O +ATOM 12999 H1 WAT 3977 49.945 14.738 2.887 1.00 0.00 H +ATOM 13000 H2 WAT 3977 49.607 14.586 4.355 1.00 0.00 H +TER +ATOM 13001 O WAT 3978 37.256 11.491 13.713 1.00 0.00 O +ATOM 13002 H1 WAT 3978 37.213 11.120 14.594 1.00 0.00 H +ATOM 13003 H2 WAT 3978 37.387 12.429 13.853 1.00 0.00 H +TER +ATOM 13004 O WAT 3979 40.956 13.047 9.314 1.00 0.00 O +ATOM 13005 H1 WAT 3979 40.716 13.314 8.427 1.00 0.00 H +ATOM 13006 H2 WAT 3979 41.897 13.217 9.369 1.00 0.00 H +TER +ATOM 13007 O WAT 3980 52.217 15.066 10.115 1.00 0.00 O +ATOM 13008 H1 WAT 3980 51.723 15.463 9.398 1.00 0.00 H +ATOM 13009 H2 WAT 3980 51.608 14.441 10.509 1.00 0.00 H +TER +ATOM 13010 O WAT 3981 37.095 14.437 10.833 1.00 0.00 O +ATOM 13011 H1 WAT 3981 36.501 14.306 11.572 1.00 0.00 H +ATOM 13012 H2 WAT 3981 37.087 13.601 10.367 1.00 0.00 H +TER +ATOM 13013 O WAT 3982 49.901 15.709 7.394 1.00 0.00 O +ATOM 13014 H1 WAT 3982 49.441 16.460 7.019 1.00 0.00 H +ATOM 13015 H2 WAT 3982 49.272 14.989 7.335 1.00 0.00 H +TER +ATOM 13016 O WAT 3983 36.726 11.803 9.783 1.00 0.00 O +ATOM 13017 H1 WAT 3983 35.999 11.183 9.716 1.00 0.00 H +ATOM 13018 H2 WAT 3983 36.787 12.197 8.913 1.00 0.00 H +TER +ATOM 13019 O WAT 3984 40.330 14.017 6.568 1.00 0.00 O +ATOM 13020 H1 WAT 3984 40.847 13.406 6.043 1.00 0.00 H +ATOM 13021 H2 WAT 3984 40.980 14.520 7.060 1.00 0.00 H +TER +ATOM 13022 O WAT 3985 43.070 14.908 7.395 1.00 0.00 O +ATOM 13023 H1 WAT 3985 43.358 14.654 6.519 1.00 0.00 H +ATOM 13024 H2 WAT 3985 43.582 14.356 7.986 1.00 0.00 H +TER +ATOM 13025 O WAT 3986 35.009 15.120 2.993 1.00 0.00 O +ATOM 13026 H1 WAT 3986 34.841 14.487 3.691 1.00 0.00 H +ATOM 13027 H2 WAT 3986 34.142 15.326 2.643 1.00 0.00 H +TER +ATOM 13028 O WAT 3987 43.137 15.830 14.762 1.00 0.00 O +ATOM 13029 H1 WAT 3987 44.064 15.594 14.806 1.00 0.00 H +ATOM 13030 H2 WAT 3987 43.122 16.657 14.281 1.00 0.00 H +TER +ATOM 13031 O WAT 3988 49.705 15.057 14.586 1.00 0.00 O +ATOM 13032 H1 WAT 3988 50.497 14.562 14.379 1.00 0.00 H +ATOM 13033 H2 WAT 3988 49.998 15.736 15.194 1.00 0.00 H +TER +ATOM 13034 O WAT 3989 27.057 62.252 60.565 1.00 0.00 O +ATOM 13035 H1 WAT 3989 26.976 61.337 60.294 1.00 0.00 H +ATOM 13036 H2 WAT 3989 26.643 62.749 59.859 1.00 0.00 H +TER +ATOM 13037 O WAT 3990 25.188 64.030 62.446 1.00 0.00 O +ATOM 13038 H1 WAT 3990 24.413 63.550 62.736 1.00 0.00 H +ATOM 13039 H2 WAT 3990 25.840 63.350 62.272 1.00 0.00 H +TER +ATOM 13040 O WAT 3991 19.205 64.342 63.324 1.00 0.00 O +ATOM 13041 H1 WAT 3991 18.373 64.087 63.723 1.00 0.00 H +ATOM 13042 H2 WAT 3991 19.813 64.413 64.060 1.00 0.00 H +TER +ATOM 13043 O WAT 3992 17.614 59.302 57.108 1.00 0.00 O +ATOM 13044 H1 WAT 3992 16.726 59.644 57.006 1.00 0.00 H +ATOM 13045 H2 WAT 3992 17.898 59.102 56.216 1.00 0.00 H +TER +ATOM 13046 O WAT 3993 15.577 61.903 62.992 1.00 0.00 O +ATOM 13047 H1 WAT 3993 16.149 61.135 62.992 1.00 0.00 H +ATOM 13048 H2 WAT 3993 15.578 62.201 62.083 1.00 0.00 H +TER +ATOM 13049 O WAT 3994 24.629 66.706 62.453 1.00 0.00 O +ATOM 13050 H1 WAT 3994 24.560 65.765 62.292 1.00 0.00 H +ATOM 13051 H2 WAT 3994 25.391 66.796 63.025 1.00 0.00 H +TER +ATOM 13052 O WAT 3995 16.820 57.311 64.779 1.00 0.00 O +ATOM 13053 H1 WAT 3995 16.640 56.414 65.059 1.00 0.00 H +ATOM 13054 H2 WAT 3995 16.418 57.858 65.454 1.00 0.00 H +TER +ATOM 13055 O WAT 3996 25.660 59.513 62.680 1.00 0.00 O +ATOM 13056 H1 WAT 3996 26.036 58.640 62.567 1.00 0.00 H +ATOM 13057 H2 WAT 3996 25.562 59.849 61.789 1.00 0.00 H +TER +ATOM 13058 O WAT 3997 19.790 57.885 58.142 1.00 0.00 O +ATOM 13059 H1 WAT 3997 19.897 58.786 58.449 1.00 0.00 H +ATOM 13060 H2 WAT 3997 18.880 57.837 57.851 1.00 0.00 H +TER +ATOM 13061 O WAT 3998 29.442 57.008 59.613 1.00 0.00 O +ATOM 13062 H1 WAT 3998 30.263 56.517 59.655 1.00 0.00 H +ATOM 13063 H2 WAT 3998 29.476 57.597 60.366 1.00 0.00 H +TER +ATOM 13064 O WAT 3999 17.439 59.807 63.387 1.00 0.00 O +ATOM 13065 H1 WAT 3999 18.120 60.071 64.006 1.00 0.00 H +ATOM 13066 H2 WAT 3999 17.123 58.967 63.721 1.00 0.00 H +TER +ATOM 13067 O WAT 4000 21.631 60.854 62.474 1.00 0.00 O +ATOM 13068 H1 WAT 4000 22.139 61.352 63.115 1.00 0.00 H +ATOM 13069 H2 WAT 4000 22.162 60.077 62.298 1.00 0.00 H +TER +ATOM 13070 O WAT 4001 26.302 65.606 58.240 1.00 0.00 O +ATOM 13071 H1 WAT 4001 25.683 66.071 57.676 1.00 0.00 H +ATOM 13072 H2 WAT 4001 26.814 66.298 58.657 1.00 0.00 H +TER +ATOM 13073 O WAT 4002 21.165 65.133 64.918 1.00 0.00 O +ATOM 13074 H1 WAT 4002 20.832 65.760 65.560 1.00 0.00 H +ATOM 13075 H2 WAT 4002 21.342 65.659 64.138 1.00 0.00 H +TER +ATOM 13076 O WAT 4003 29.678 58.948 62.386 1.00 0.00 O +ATOM 13077 H1 WAT 4003 28.974 59.236 62.966 1.00 0.00 H +ATOM 13078 H2 WAT 4003 30.040 59.758 62.026 1.00 0.00 H +TER +ATOM 13079 O WAT 4004 19.596 57.205 64.748 1.00 0.00 O +ATOM 13080 H1 WAT 4004 19.938 58.049 64.453 1.00 0.00 H +ATOM 13081 H2 WAT 4004 18.658 57.353 64.864 1.00 0.00 H +TER +ATOM 13082 O WAT 4005 15.670 66.291 55.614 1.00 0.00 O +ATOM 13083 H1 WAT 4005 15.293 66.780 54.882 1.00 0.00 H +ATOM 13084 H2 WAT 4005 15.927 66.964 56.244 1.00 0.00 H +TER +ATOM 13085 O WAT 4006 32.747 58.393 62.777 1.00 0.00 O +ATOM 13086 H1 WAT 4006 31.800 58.427 62.908 1.00 0.00 H +ATOM 13087 H2 WAT 4006 33.072 59.207 63.162 1.00 0.00 H +TER +ATOM 13088 O WAT 4007 23.279 54.693 61.072 1.00 0.00 O +ATOM 13089 H1 WAT 4007 23.586 54.138 60.356 1.00 0.00 H +ATOM 13090 H2 WAT 4007 22.349 54.827 60.890 1.00 0.00 H +TER +ATOM 13091 O WAT 4008 30.125 67.131 58.452 1.00 0.00 O +ATOM 13092 H1 WAT 4008 30.015 66.189 58.577 1.00 0.00 H +ATOM 13093 H2 WAT 4008 30.122 67.493 59.338 1.00 0.00 H +TER +ATOM 13094 O WAT 4009 28.229 65.313 64.691 1.00 0.00 O +ATOM 13095 H1 WAT 4009 28.646 65.099 63.857 1.00 0.00 H +ATOM 13096 H2 WAT 4009 28.953 65.570 65.262 1.00 0.00 H +TER +ATOM 13097 O WAT 4010 25.667 62.758 57.808 1.00 0.00 O +ATOM 13098 H1 WAT 4010 24.740 62.692 58.037 1.00 0.00 H +ATOM 13099 H2 WAT 4010 25.820 63.696 57.694 1.00 0.00 H +TER +ATOM 13100 O WAT 4011 25.654 59.030 54.805 1.00 0.00 O +ATOM 13101 H1 WAT 4011 24.714 59.191 54.890 1.00 0.00 H +ATOM 13102 H2 WAT 4011 25.972 59.748 54.259 1.00 0.00 H +TER +ATOM 13103 O WAT 4012 32.175 63.711 64.783 1.00 0.00 O +ATOM 13104 H1 WAT 4012 31.347 63.781 64.308 1.00 0.00 H +ATOM 13105 H2 WAT 4012 32.770 64.297 64.314 1.00 0.00 H +TER +ATOM 13106 O WAT 4013 29.697 64.320 58.312 1.00 0.00 O +ATOM 13107 H1 WAT 4013 29.078 63.982 57.664 1.00 0.00 H +ATOM 13108 H2 WAT 4013 29.679 63.676 59.020 1.00 0.00 H +TER +ATOM 13109 O WAT 4014 29.139 60.498 65.728 1.00 0.00 O +ATOM 13110 H1 WAT 4014 28.727 61.324 65.982 1.00 0.00 H +ATOM 13111 H2 WAT 4014 28.407 59.913 65.536 1.00 0.00 H +TER +ATOM 13112 O WAT 4015 21.273 63.284 60.590 1.00 0.00 O +ATOM 13113 H1 WAT 4015 20.868 62.572 60.095 1.00 0.00 H +ATOM 13114 H2 WAT 4015 21.359 62.940 61.479 1.00 0.00 H +TER +ATOM 13115 O WAT 4016 21.741 66.971 62.754 1.00 0.00 O +ATOM 13116 H1 WAT 4016 21.444 66.366 62.075 1.00 0.00 H +ATOM 13117 H2 WAT 4016 22.691 67.009 62.643 1.00 0.00 H +TER +ATOM 13118 O WAT 4017 19.986 60.059 64.370 1.00 0.00 O +ATOM 13119 H1 WAT 4017 20.537 60.168 63.595 1.00 0.00 H +ATOM 13120 H2 WAT 4017 20.500 60.432 65.086 1.00 0.00 H +TER +ATOM 13121 O WAT 4018 27.873 63.559 55.319 1.00 0.00 O +ATOM 13122 H1 WAT 4018 28.313 62.721 55.173 1.00 0.00 H +ATOM 13123 H2 WAT 4018 28.586 64.191 55.405 1.00 0.00 H +TER +ATOM 13124 O WAT 4019 31.455 54.813 53.633 1.00 0.00 O +ATOM 13125 H1 WAT 4019 31.142 54.905 54.533 1.00 0.00 H +ATOM 13126 H2 WAT 4019 32.216 55.391 53.583 1.00 0.00 H +TER +ATOM 13127 O WAT 4020 17.973 62.179 58.091 1.00 0.00 O +ATOM 13128 H1 WAT 4020 17.853 62.905 57.479 1.00 0.00 H +ATOM 13129 H2 WAT 4020 17.663 61.409 57.614 1.00 0.00 H +TER +ATOM 13130 O WAT 4021 15.612 65.350 63.898 1.00 0.00 O +ATOM 13131 H1 WAT 4021 15.690 65.485 62.953 1.00 0.00 H +ATOM 13132 H2 WAT 4021 16.226 64.642 64.091 1.00 0.00 H +TER +ATOM 13133 O WAT 4022 16.856 67.050 60.308 1.00 0.00 O +ATOM 13134 H1 WAT 4022 16.449 67.192 59.454 1.00 0.00 H +ATOM 13135 H2 WAT 4022 17.748 66.766 60.105 1.00 0.00 H +TER +ATOM 13136 O WAT 4023 20.440 55.522 61.473 1.00 0.00 O +ATOM 13137 H1 WAT 4023 19.996 56.303 61.142 1.00 0.00 H +ATOM 13138 H2 WAT 4023 20.998 55.845 62.180 1.00 0.00 H +TER +ATOM 13139 O WAT 4024 23.555 55.143 56.354 1.00 0.00 O +ATOM 13140 H1 WAT 4024 22.931 55.139 57.079 1.00 0.00 H +ATOM 13141 H2 WAT 4024 23.468 54.276 55.957 1.00 0.00 H +TER +ATOM 13142 O WAT 4025 22.477 56.067 63.332 1.00 0.00 O +ATOM 13143 H1 WAT 4025 22.774 56.973 63.251 1.00 0.00 H +ATOM 13144 H2 WAT 4025 23.026 55.579 62.718 1.00 0.00 H +TER +ATOM 13145 O WAT 4026 20.231 60.646 59.201 1.00 0.00 O +ATOM 13146 H1 WAT 4026 20.005 60.429 60.106 1.00 0.00 H +ATOM 13147 H2 WAT 4026 19.450 61.078 58.856 1.00 0.00 H +TER +ATOM 13148 O WAT 4027 27.461 60.652 57.800 1.00 0.00 O +ATOM 13149 H1 WAT 4027 26.862 61.376 57.617 1.00 0.00 H +ATOM 13150 H2 WAT 4027 28.009 60.590 57.018 1.00 0.00 H +TER +ATOM 13151 O WAT 4028 26.067 59.288 59.831 1.00 0.00 O +ATOM 13152 H1 WAT 4028 26.460 59.606 59.018 1.00 0.00 H +ATOM 13153 H2 WAT 4028 26.429 58.410 59.945 1.00 0.00 H +TER +ATOM 13154 O WAT 4029 15.104 55.878 62.054 1.00 0.00 O +ATOM 13155 H1 WAT 4029 14.815 56.449 62.766 1.00 0.00 H +ATOM 13156 H2 WAT 4029 15.848 55.399 62.417 1.00 0.00 H +TER +ATOM 13157 O WAT 4030 15.291 59.820 53.264 1.00 0.00 O +ATOM 13158 H1 WAT 4030 15.208 60.764 53.406 1.00 0.00 H +ATOM 13159 H2 WAT 4030 14.939 59.678 52.385 1.00 0.00 H +TER +ATOM 13160 O WAT 4031 26.653 61.879 63.926 1.00 0.00 O +ATOM 13161 H1 WAT 4031 25.921 62.388 64.275 1.00 0.00 H +ATOM 13162 H2 WAT 4031 26.255 61.062 63.625 1.00 0.00 H +TER +ATOM 13163 O WAT 4032 23.090 58.554 62.331 1.00 0.00 O +ATOM 13164 H1 WAT 4032 23.094 58.113 61.482 1.00 0.00 H +ATOM 13165 H2 WAT 4032 23.986 58.876 62.438 1.00 0.00 H +TER +ATOM 13166 O WAT 4033 18.941 58.437 61.290 1.00 0.00 O +ATOM 13167 H1 WAT 4033 18.601 58.914 62.047 1.00 0.00 H +ATOM 13168 H2 WAT 4033 18.178 57.983 60.931 1.00 0.00 H +TER +ATOM 13169 O WAT 4034 23.152 59.556 55.322 1.00 0.00 O +ATOM 13170 H1 WAT 4034 23.274 59.514 56.270 1.00 0.00 H +ATOM 13171 H2 WAT 4034 22.767 60.418 55.166 1.00 0.00 H +TER +ATOM 13172 O WAT 4035 27.115 57.332 63.338 1.00 0.00 O +ATOM 13173 H1 WAT 4035 27.133 57.783 64.182 1.00 0.00 H +ATOM 13174 H2 WAT 4035 26.867 56.433 63.551 1.00 0.00 H +TER +ATOM 13175 O WAT 4036 22.165 61.866 54.720 1.00 0.00 O +ATOM 13176 H1 WAT 4036 21.596 61.417 54.094 1.00 0.00 H +ATOM 13177 H2 WAT 4036 22.874 62.225 54.187 1.00 0.00 H +TER +ATOM 13178 O WAT 4037 23.391 62.615 64.078 1.00 0.00 O +ATOM 13179 H1 WAT 4037 23.758 62.140 64.824 1.00 0.00 H +ATOM 13180 H2 WAT 4037 23.202 63.489 64.418 1.00 0.00 H +TER +ATOM 13181 O WAT 4038 16.255 57.359 60.207 1.00 0.00 O +ATOM 13182 H1 WAT 4038 15.970 56.994 61.045 1.00 0.00 H +ATOM 13183 H2 WAT 4038 16.193 56.627 59.593 1.00 0.00 H +TER +ATOM 13184 O WAT 4039 19.709 65.861 56.993 1.00 0.00 O +ATOM 13185 H1 WAT 4039 18.936 65.321 56.833 1.00 0.00 H +ATOM 13186 H2 WAT 4039 20.439 65.342 56.654 1.00 0.00 H +TER +ATOM 13187 O WAT 4040 30.468 64.858 62.785 1.00 0.00 O +ATOM 13188 H1 WAT 4040 31.188 65.354 62.395 1.00 0.00 H +ATOM 13189 H2 WAT 4040 30.266 64.180 62.141 1.00 0.00 H +TER +ATOM 13190 O WAT 4041 25.929 56.252 56.928 1.00 0.00 O +ATOM 13191 H1 WAT 4041 25.116 55.753 56.853 1.00 0.00 H +ATOM 13192 H2 WAT 4041 25.735 57.092 56.512 1.00 0.00 H +TER +ATOM 13193 O WAT 4042 28.644 60.624 55.225 1.00 0.00 O +ATOM 13194 H1 WAT 4042 29.532 60.935 55.050 1.00 0.00 H +ATOM 13195 H2 WAT 4042 28.615 59.751 54.833 1.00 0.00 H +TER +ATOM 13196 O WAT 4043 19.753 65.530 60.631 1.00 0.00 O +ATOM 13197 H1 WAT 4043 20.271 64.726 60.576 1.00 0.00 H +ATOM 13198 H2 WAT 4043 19.302 65.467 61.472 1.00 0.00 H +TER +ATOM 13199 O WAT 4044 24.640 66.796 55.903 1.00 0.00 O +ATOM 13200 H1 WAT 4044 24.982 67.540 55.408 1.00 0.00 H +ATOM 13201 H2 WAT 4044 23.811 67.109 56.266 1.00 0.00 H +TER +ATOM 13202 O WAT 4045 30.915 61.935 54.692 1.00 0.00 O +ATOM 13203 H1 WAT 4045 30.832 62.366 53.842 1.00 0.00 H +ATOM 13204 H2 WAT 4045 31.635 62.395 55.125 1.00 0.00 H +TER +ATOM 13205 O WAT 4046 27.523 66.118 61.268 1.00 0.00 O +ATOM 13206 H1 WAT 4046 27.875 65.521 60.608 1.00 0.00 H +ATOM 13207 H2 WAT 4046 26.639 65.792 61.439 1.00 0.00 H +TER +ATOM 13208 O WAT 4047 23.609 66.877 58.675 1.00 0.00 O +ATOM 13209 H1 WAT 4047 24.296 67.424 59.056 1.00 0.00 H +ATOM 13210 H2 WAT 4047 22.822 67.422 58.710 1.00 0.00 H +TER +ATOM 13211 O WAT 4048 15.748 62.495 54.167 1.00 0.00 O +ATOM 13212 H1 WAT 4048 16.618 62.777 54.450 1.00 0.00 H +ATOM 13213 H2 WAT 4048 15.257 63.308 54.052 1.00 0.00 H +TER +ATOM 13214 O WAT 4049 22.912 63.882 58.287 1.00 0.00 O +ATOM 13215 H1 WAT 4049 23.368 64.693 58.513 1.00 0.00 H +ATOM 13216 H2 WAT 4049 22.561 63.564 59.119 1.00 0.00 H +TER +ATOM 13217 O WAT 4050 18.813 54.226 58.760 1.00 0.00 O +ATOM 13218 H1 WAT 4050 18.685 54.218 59.708 1.00 0.00 H +ATOM 13219 H2 WAT 4050 17.989 54.564 58.409 1.00 0.00 H +TER +ATOM 13220 O WAT 4051 30.334 67.681 53.958 1.00 0.00 O +ATOM 13221 H1 WAT 4051 30.108 66.964 54.551 1.00 0.00 H +ATOM 13222 H2 WAT 4051 29.944 67.432 53.121 1.00 0.00 H +TER +ATOM 13223 O WAT 4052 29.916 65.598 55.620 1.00 0.00 O +ATOM 13224 H1 WAT 4052 29.628 66.059 56.408 1.00 0.00 H +ATOM 13225 H2 WAT 4052 30.711 65.138 55.888 1.00 0.00 H +TER +ATOM 13226 O WAT 4053 17.733 64.312 56.295 1.00 0.00 O +ATOM 13227 H1 WAT 4053 17.126 65.052 56.304 1.00 0.00 H +ATOM 13228 H2 WAT 4053 18.208 64.402 55.469 1.00 0.00 H +TER +ATOM 13229 O WAT 4054 30.673 57.433 56.779 1.00 0.00 O +ATOM 13230 H1 WAT 4054 30.044 57.537 56.065 1.00 0.00 H +ATOM 13231 H2 WAT 4054 30.178 57.653 57.569 1.00 0.00 H +TER +ATOM 13232 O WAT 4055 22.641 59.711 58.195 1.00 0.00 O +ATOM 13233 H1 WAT 4055 21.933 60.180 58.636 1.00 0.00 H +ATOM 13234 H2 WAT 4055 22.925 59.054 58.830 1.00 0.00 H +TER +ATOM 13235 O WAT 4056 26.672 56.437 59.635 1.00 0.00 O +ATOM 13236 H1 WAT 4056 26.549 56.455 58.686 1.00 0.00 H +ATOM 13237 H2 WAT 4056 27.621 56.484 59.754 1.00 0.00 H +TER +ATOM 13238 O WAT 4057 20.844 58.020 55.570 1.00 0.00 O +ATOM 13239 H1 WAT 4057 21.693 58.457 55.504 1.00 0.00 H +ATOM 13240 H2 WAT 4057 20.478 58.332 56.397 1.00 0.00 H +TER +ATOM 13241 O WAT 4058 29.765 62.591 60.483 1.00 0.00 O +ATOM 13242 H1 WAT 4058 28.824 62.606 60.658 1.00 0.00 H +ATOM 13243 H2 WAT 4058 30.080 61.805 60.929 1.00 0.00 H +TER +ATOM 13244 O WAT 4059 19.744 64.273 54.044 1.00 0.00 O +ATOM 13245 H1 WAT 4059 20.510 64.161 54.606 1.00 0.00 H +ATOM 13246 H2 WAT 4059 19.821 63.577 53.391 1.00 0.00 H +TER +ATOM 13247 O WAT 4060 18.438 61.706 54.727 1.00 0.00 O +ATOM 13248 H1 WAT 4060 18.519 60.758 54.839 1.00 0.00 H +ATOM 13249 H2 WAT 4060 19.330 62.036 54.833 1.00 0.00 H +TER +ATOM 13250 O WAT 4061 22.868 66.249 53.517 1.00 0.00 O +ATOM 13251 H1 WAT 4061 22.763 65.634 54.243 1.00 0.00 H +ATOM 13252 H2 WAT 4061 22.700 65.725 52.734 1.00 0.00 H +TER +ATOM 13253 O WAT 4062 26.108 65.311 54.121 1.00 0.00 O +ATOM 13254 H1 WAT 4062 25.559 65.758 54.766 1.00 0.00 H +ATOM 13255 H2 WAT 4062 26.730 64.806 54.645 1.00 0.00 H +TER +ATOM 13256 O WAT 4063 21.775 64.270 56.018 1.00 0.00 O +ATOM 13257 H1 WAT 4063 22.197 64.104 56.861 1.00 0.00 H +ATOM 13258 H2 WAT 4063 21.901 63.460 55.523 1.00 0.00 H +TER +ATOM 13259 O WAT 4064 24.288 63.294 53.266 1.00 0.00 O +ATOM 13260 H1 WAT 4064 24.809 62.578 52.900 1.00 0.00 H +ATOM 13261 H2 WAT 4064 24.935 63.932 53.566 1.00 0.00 H +TER +ATOM 13262 O WAT 4065 20.671 60.343 52.964 1.00 0.00 O +ATOM 13263 H1 WAT 4065 20.470 59.480 53.325 1.00 0.00 H +ATOM 13264 H2 WAT 4065 20.501 60.256 52.026 1.00 0.00 H +TER +ATOM 13265 O WAT 4066 28.150 55.154 55.492 1.00 0.00 O +ATOM 13266 H1 WAT 4066 28.430 54.311 55.848 1.00 0.00 H +ATOM 13267 H2 WAT 4066 27.377 55.386 56.006 1.00 0.00 H +TER +ATOM 13268 O WAT 4067 19.470 57.443 52.952 1.00 0.00 O +ATOM 13269 H1 WAT 4067 19.772 57.450 52.043 1.00 0.00 H +ATOM 13270 H2 WAT 4067 20.209 57.093 53.448 1.00 0.00 H +TER +ATOM 13271 O WAT 4068 22.688 56.387 53.937 1.00 0.00 O +ATOM 13272 H1 WAT 4068 22.340 55.709 53.357 1.00 0.00 H +ATOM 13273 H2 WAT 4068 22.889 55.926 54.752 1.00 0.00 H +TER +ATOM 13274 O WAT 4069 18.493 66.747 53.785 1.00 0.00 O +ATOM 13275 H1 WAT 4069 18.930 67.290 54.440 1.00 0.00 H +ATOM 13276 H2 WAT 4069 18.977 65.922 53.794 1.00 0.00 H +TER +ATOM 13277 O WAT 4070 20.303 67.867 58.897 1.00 0.00 O +ATOM 13278 H1 WAT 4070 20.003 67.744 59.797 1.00 0.00 H +ATOM 13279 H2 WAT 4070 20.197 67.008 58.488 1.00 0.00 H +TER +ATOM 13280 O WAT 4071 32.528 64.392 56.103 1.00 0.00 O +ATOM 13281 H1 WAT 4071 33.290 64.961 56.209 1.00 0.00 H +ATOM 13282 H2 WAT 4071 32.544 63.824 56.874 1.00 0.00 H +TER +ATOM 13283 O WAT 4072 16.029 62.915 60.334 1.00 0.00 O +ATOM 13284 H1 WAT 4072 15.374 62.647 59.690 1.00 0.00 H +ATOM 13285 H2 WAT 4072 16.866 62.806 59.884 1.00 0.00 H +TER +ATOM 13286 O WAT 4073 33.534 65.247 60.947 1.00 0.00 O +ATOM 13287 H1 WAT 4073 33.905 64.463 60.541 1.00 0.00 H +ATOM 13288 H2 WAT 4073 34.174 65.935 60.769 1.00 0.00 H +TER +ATOM 13289 O WAT 4074 32.580 64.685 53.260 1.00 0.00 O +ATOM 13290 H1 WAT 4074 32.855 65.593 53.132 1.00 0.00 H +ATOM 13291 H2 WAT 4074 32.391 64.621 54.196 1.00 0.00 H +TER +ATOM 13292 O WAT 4075 28.978 57.709 54.555 1.00 0.00 O +ATOM 13293 H1 WAT 4075 29.396 57.523 53.715 1.00 0.00 H +ATOM 13294 H2 WAT 4075 28.671 56.857 54.866 1.00 0.00 H +TER +ATOM 13295 O WAT 4076 32.477 62.622 58.253 1.00 0.00 O +ATOM 13296 H1 WAT 4076 32.101 61.855 57.821 1.00 0.00 H +ATOM 13297 H2 WAT 4076 31.747 63.004 58.741 1.00 0.00 H +TER +ATOM 13298 O WAT 4077 17.066 63.301 64.874 1.00 0.00 O +ATOM 13299 H1 WAT 4077 17.434 63.213 65.754 1.00 0.00 H +ATOM 13300 H2 WAT 4077 16.497 62.537 64.775 1.00 0.00 H +TER +ATOM 13301 O WAT 4078 15.243 60.125 56.276 1.00 0.00 O +ATOM 13302 H1 WAT 4078 14.339 60.388 56.101 1.00 0.00 H +ATOM 13303 H2 WAT 4078 15.727 60.396 55.496 1.00 0.00 H +TER +ATOM 13304 O WAT 4079 31.752 60.848 61.554 1.00 0.00 O +ATOM 13305 H1 WAT 4079 32.276 60.354 60.923 1.00 0.00 H +ATOM 13306 H2 WAT 4079 32.338 60.983 62.299 1.00 0.00 H +TER +ATOM 13307 O WAT 4080 31.931 60.932 65.076 1.00 0.00 O +ATOM 13308 H1 WAT 4080 30.981 60.898 65.190 1.00 0.00 H +ATOM 13309 H2 WAT 4080 32.112 61.842 64.841 1.00 0.00 H +TER +ATOM 13310 O WAT 4081 17.785 59.182 54.186 1.00 0.00 O +ATOM 13311 H1 WAT 4081 18.494 58.760 53.700 1.00 0.00 H +ATOM 13312 H2 WAT 4081 17.069 59.249 53.554 1.00 0.00 H +TER +ATOM 13313 O WAT 4082 17.433 55.236 53.226 1.00 0.00 O +ATOM 13314 H1 WAT 4082 18.155 55.777 53.544 1.00 0.00 H +ATOM 13315 H2 WAT 4082 17.705 54.962 52.350 1.00 0.00 H +TER +ATOM 13316 O WAT 4083 31.242 60.105 57.493 1.00 0.00 O +ATOM 13317 H1 WAT 4083 31.738 59.872 58.278 1.00 0.00 H +ATOM 13318 H2 WAT 4083 31.043 59.266 57.077 1.00 0.00 H +TER +ATOM 13319 O WAT 4084 17.122 54.486 63.128 1.00 0.00 O +ATOM 13320 H1 WAT 4084 17.769 53.936 62.688 1.00 0.00 H +ATOM 13321 H2 WAT 4084 17.542 54.741 63.950 1.00 0.00 H +TER +ATOM 13322 O WAT 4085 32.671 58.741 60.027 1.00 0.00 O +ATOM 13323 H1 WAT 4085 32.560 58.587 60.965 1.00 0.00 H +ATOM 13324 H2 WAT 4085 33.431 58.213 59.784 1.00 0.00 H +TER +ATOM 13325 O WAT 4086 33.560 56.572 53.267 1.00 0.00 O +ATOM 13326 H1 WAT 4086 34.484 56.440 53.059 1.00 0.00 H +ATOM 13327 H2 WAT 4086 33.537 56.651 54.221 1.00 0.00 H +TER +ATOM 13328 O WAT 4087 33.633 57.343 55.893 1.00 0.00 O +ATOM 13329 H1 WAT 4087 32.839 57.277 56.422 1.00 0.00 H +ATOM 13330 H2 WAT 4087 33.838 58.278 55.882 1.00 0.00 H +TER +ATOM 13331 O WAT 4088 25.513 54.970 64.298 1.00 0.00 O +ATOM 13332 H1 WAT 4088 24.730 55.445 64.578 1.00 0.00 H +ATOM 13333 H2 WAT 4088 25.220 54.066 64.189 1.00 0.00 H +TER +ATOM 13334 O WAT 4089 30.065 55.673 62.343 1.00 0.00 O +ATOM 13335 H1 WAT 4089 30.506 55.617 61.495 1.00 0.00 H +ATOM 13336 H2 WAT 4089 29.796 56.588 62.414 1.00 0.00 H +TER +ATOM 13337 O WAT 4090 31.929 55.304 60.354 1.00 0.00 O +ATOM 13338 H1 WAT 4090 31.868 54.360 60.207 1.00 0.00 H +ATOM 13339 H2 WAT 4090 32.708 55.412 60.899 1.00 0.00 H +TER +ATOM 13340 O WAT 4091 16.857 55.275 56.819 1.00 0.00 O +ATOM 13341 H1 WAT 4091 17.615 55.388 56.246 1.00 0.00 H +ATOM 13342 H2 WAT 4091 16.395 56.112 56.774 1.00 0.00 H +TER +ATOM 13343 O WAT 4092 23.399 57.389 59.810 1.00 0.00 O +ATOM 13344 H1 WAT 4092 22.586 57.015 59.469 1.00 0.00 H +ATOM 13345 H2 WAT 4092 23.903 56.633 60.112 1.00 0.00 H +TER +ATOM 13346 O WAT 4093 27.901 54.053 61.048 1.00 0.00 O +ATOM 13347 H1 WAT 4093 28.504 54.625 61.523 1.00 0.00 H +ATOM 13348 H2 WAT 4093 27.161 54.617 60.825 1.00 0.00 H +TER +ATOM 13349 O WAT 4094 31.045 54.455 56.322 1.00 0.00 O +ATOM 13350 H1 WAT 4094 31.240 55.354 56.589 1.00 0.00 H +ATOM 13351 H2 WAT 4094 30.258 54.224 56.815 1.00 0.00 H +TER +ATOM 13352 O WAT 4095 19.230 55.801 55.360 1.00 0.00 O +ATOM 13353 H1 WAT 4095 19.759 55.014 55.230 1.00 0.00 H +ATOM 13354 H2 WAT 4095 19.863 56.481 55.593 1.00 0.00 H +TER +ATOM 13355 O WAT 4096 21.424 55.539 58.414 1.00 0.00 O +ATOM 13356 H1 WAT 4096 20.794 54.838 58.581 1.00 0.00 H +ATOM 13357 H2 WAT 4096 20.884 56.299 58.197 1.00 0.00 H +TER +ATOM 13358 O WAT 4097 27.057 62.252 41.791 1.00 0.00 O +ATOM 13359 H1 WAT 4097 26.976 61.337 41.520 1.00 0.00 H +ATOM 13360 H2 WAT 4097 26.643 62.749 41.085 1.00 0.00 H +TER +ATOM 13361 O WAT 4098 25.188 64.030 43.672 1.00 0.00 O +ATOM 13362 H1 WAT 4098 24.413 63.550 43.962 1.00 0.00 H +ATOM 13363 H2 WAT 4098 25.840 63.350 43.497 1.00 0.00 H +TER +ATOM 13364 O WAT 4099 19.205 64.342 44.549 1.00 0.00 O +ATOM 13365 H1 WAT 4099 18.373 64.087 44.949 1.00 0.00 H +ATOM 13366 H2 WAT 4099 19.813 64.413 45.285 1.00 0.00 H +TER +ATOM 13367 O WAT 4100 17.614 59.302 38.334 1.00 0.00 O +ATOM 13368 H1 WAT 4100 16.726 59.644 38.232 1.00 0.00 H +ATOM 13369 H2 WAT 4100 17.898 59.102 37.442 1.00 0.00 H +TER +ATOM 13370 O WAT 4101 15.577 61.903 44.218 1.00 0.00 O +ATOM 13371 H1 WAT 4101 16.149 61.135 44.218 1.00 0.00 H +ATOM 13372 H2 WAT 4101 15.578 62.201 43.308 1.00 0.00 H +TER +ATOM 13373 O WAT 4102 24.629 66.706 43.679 1.00 0.00 O +ATOM 13374 H1 WAT 4102 24.560 65.765 43.518 1.00 0.00 H +ATOM 13375 H2 WAT 4102 25.391 66.796 44.251 1.00 0.00 H +TER +ATOM 13376 O WAT 4103 16.820 57.311 46.005 1.00 0.00 O +ATOM 13377 H1 WAT 4103 16.640 56.414 46.285 1.00 0.00 H +ATOM 13378 H2 WAT 4103 16.418 57.858 46.679 1.00 0.00 H +TER +ATOM 13379 O WAT 4104 25.660 59.513 43.906 1.00 0.00 O +ATOM 13380 H1 WAT 4104 26.036 58.640 43.793 1.00 0.00 H +ATOM 13381 H2 WAT 4104 25.562 59.849 43.015 1.00 0.00 H +TER +ATOM 13382 O WAT 4105 19.790 57.885 39.367 1.00 0.00 O +ATOM 13383 H1 WAT 4105 19.897 58.786 39.674 1.00 0.00 H +ATOM 13384 H2 WAT 4105 18.880 57.837 39.077 1.00 0.00 H +TER +ATOM 13385 O WAT 4106 29.442 57.008 40.839 1.00 0.00 O +ATOM 13386 H1 WAT 4106 30.263 56.517 40.881 1.00 0.00 H +ATOM 13387 H2 WAT 4106 29.476 57.597 41.592 1.00 0.00 H +TER +ATOM 13388 O WAT 4107 17.439 59.807 44.613 1.00 0.00 O +ATOM 13389 H1 WAT 4107 18.120 60.071 45.231 1.00 0.00 H +ATOM 13390 H2 WAT 4107 17.123 58.967 44.947 1.00 0.00 H +TER +ATOM 13391 O WAT 4108 21.631 60.854 43.700 1.00 0.00 O +ATOM 13392 H1 WAT 4108 22.139 61.352 44.341 1.00 0.00 H +ATOM 13393 H2 WAT 4108 22.162 60.077 43.524 1.00 0.00 H +TER +ATOM 13394 O WAT 4109 33.732 59.024 47.403 1.00 0.00 O +ATOM 13395 H1 WAT 4109 33.027 59.413 46.884 1.00 0.00 H +ATOM 13396 H2 WAT 4109 33.998 59.719 48.005 1.00 0.00 H +TER +ATOM 13397 O WAT 4110 19.915 55.494 47.966 1.00 0.00 O +ATOM 13398 H1 WAT 4110 19.916 56.011 47.161 1.00 0.00 H +ATOM 13399 H2 WAT 4110 19.085 55.017 47.943 1.00 0.00 H +TER +ATOM 13400 O WAT 4111 26.302 65.606 39.465 1.00 0.00 O +ATOM 13401 H1 WAT 4111 25.683 66.071 38.902 1.00 0.00 H +ATOM 13402 H2 WAT 4111 26.814 66.298 39.882 1.00 0.00 H +TER +ATOM 13403 O WAT 4112 21.165 65.133 46.144 1.00 0.00 O +ATOM 13404 H1 WAT 4112 20.832 65.760 46.786 1.00 0.00 H +ATOM 13405 H2 WAT 4112 21.342 65.659 45.364 1.00 0.00 H +TER +ATOM 13406 O WAT 4113 29.678 58.948 43.611 1.00 0.00 O +ATOM 13407 H1 WAT 4113 28.974 59.236 44.192 1.00 0.00 H +ATOM 13408 H2 WAT 4113 30.040 59.758 43.251 1.00 0.00 H +TER +ATOM 13409 O WAT 4114 19.596 57.205 45.973 1.00 0.00 O +ATOM 13410 H1 WAT 4114 19.938 58.049 45.679 1.00 0.00 H +ATOM 13411 H2 WAT 4114 18.658 57.353 46.090 1.00 0.00 H +TER +ATOM 13412 O WAT 4115 20.377 67.101 47.959 1.00 0.00 O +ATOM 13413 H1 WAT 4115 20.994 67.776 47.677 1.00 0.00 H +ATOM 13414 H2 WAT 4115 19.516 67.510 47.867 1.00 0.00 H +TER +ATOM 13415 O WAT 4116 15.670 66.291 36.839 1.00 0.00 O +ATOM 13416 H1 WAT 4116 15.293 66.780 36.108 1.00 0.00 H +ATOM 13417 H2 WAT 4116 15.927 66.964 37.470 1.00 0.00 H +TER +ATOM 13418 O WAT 4117 32.747 58.393 44.002 1.00 0.00 O +ATOM 13419 H1 WAT 4117 31.800 58.427 44.134 1.00 0.00 H +ATOM 13420 H2 WAT 4117 33.072 59.207 44.387 1.00 0.00 H +TER +ATOM 13421 O WAT 4118 23.279 54.693 42.298 1.00 0.00 O +ATOM 13422 H1 WAT 4118 23.586 54.138 41.581 1.00 0.00 H +ATOM 13423 H2 WAT 4118 22.349 54.827 42.115 1.00 0.00 H +TER +ATOM 13424 O WAT 4119 30.125 67.131 39.678 1.00 0.00 O +ATOM 13425 H1 WAT 4119 30.015 66.189 39.803 1.00 0.00 H +ATOM 13426 H2 WAT 4119 30.122 67.493 40.564 1.00 0.00 H +TER +ATOM 13427 O WAT 4120 28.229 65.313 45.917 1.00 0.00 O +ATOM 13428 H1 WAT 4120 28.646 65.099 45.082 1.00 0.00 H +ATOM 13429 H2 WAT 4120 28.953 65.570 46.488 1.00 0.00 H +TER +ATOM 13430 O WAT 4121 25.667 62.758 39.034 1.00 0.00 O +ATOM 13431 H1 WAT 4121 24.740 62.692 39.263 1.00 0.00 H +ATOM 13432 H2 WAT 4121 25.820 63.696 38.919 1.00 0.00 H +TER +ATOM 13433 O WAT 4122 25.654 59.030 36.031 1.00 0.00 O +ATOM 13434 H1 WAT 4122 24.714 59.191 36.116 1.00 0.00 H +ATOM 13435 H2 WAT 4122 25.972 59.748 35.484 1.00 0.00 H +TER +ATOM 13436 O WAT 4123 32.175 63.711 46.008 1.00 0.00 O +ATOM 13437 H1 WAT 4123 31.347 63.781 45.534 1.00 0.00 H +ATOM 13438 H2 WAT 4123 32.770 64.297 45.540 1.00 0.00 H +TER +ATOM 13439 O WAT 4124 29.697 64.320 39.537 1.00 0.00 O +ATOM 13440 H1 WAT 4124 29.078 63.982 38.890 1.00 0.00 H +ATOM 13441 H2 WAT 4124 29.679 63.676 40.245 1.00 0.00 H +TER +ATOM 13442 O WAT 4125 29.139 60.498 46.954 1.00 0.00 O +ATOM 13443 H1 WAT 4125 28.727 61.324 47.208 1.00 0.00 H +ATOM 13444 H2 WAT 4125 28.407 59.913 46.762 1.00 0.00 H +TER +ATOM 13445 O WAT 4126 21.273 63.284 41.816 1.00 0.00 O +ATOM 13446 H1 WAT 4126 20.868 62.572 41.320 1.00 0.00 H +ATOM 13447 H2 WAT 4126 21.359 62.940 42.705 1.00 0.00 H +TER +ATOM 13448 O WAT 4127 21.741 66.971 43.980 1.00 0.00 O +ATOM 13449 H1 WAT 4127 21.444 66.366 43.301 1.00 0.00 H +ATOM 13450 H2 WAT 4127 22.691 67.009 43.869 1.00 0.00 H +TER +ATOM 13451 O WAT 4128 19.986 60.059 45.596 1.00 0.00 O +ATOM 13452 H1 WAT 4128 20.537 60.168 44.821 1.00 0.00 H +ATOM 13453 H2 WAT 4128 20.500 60.432 46.311 1.00 0.00 H +TER +ATOM 13454 O WAT 4129 20.833 66.709 50.631 1.00 0.00 O +ATOM 13455 H1 WAT 4129 19.936 66.933 50.878 1.00 0.00 H +ATOM 13456 H2 WAT 4129 20.858 66.833 49.682 1.00 0.00 H +TER +ATOM 13457 O WAT 4130 27.873 63.559 36.545 1.00 0.00 O +ATOM 13458 H1 WAT 4130 28.313 62.721 36.398 1.00 0.00 H +ATOM 13459 H2 WAT 4130 28.586 64.191 36.631 1.00 0.00 H +TER +ATOM 13460 O WAT 4131 19.660 63.581 49.206 1.00 0.00 O +ATOM 13461 H1 WAT 4131 19.521 64.453 49.575 1.00 0.00 H +ATOM 13462 H2 WAT 4131 18.778 63.238 49.061 1.00 0.00 H +TER +ATOM 13463 O WAT 4132 31.455 54.813 34.859 1.00 0.00 O +ATOM 13464 H1 WAT 4132 31.142 54.905 35.759 1.00 0.00 H +ATOM 13465 H2 WAT 4132 32.216 55.391 34.809 1.00 0.00 H +TER +ATOM 13466 O WAT 4133 17.973 62.179 39.317 1.00 0.00 O +ATOM 13467 H1 WAT 4133 17.853 62.905 38.705 1.00 0.00 H +ATOM 13468 H2 WAT 4133 17.663 61.409 38.839 1.00 0.00 H +TER +ATOM 13469 O WAT 4134 15.612 65.350 45.123 1.00 0.00 O +ATOM 13470 H1 WAT 4134 15.690 65.485 44.179 1.00 0.00 H +ATOM 13471 H2 WAT 4134 16.226 64.642 45.316 1.00 0.00 H +TER +ATOM 13472 O WAT 4135 16.856 67.050 41.534 1.00 0.00 O +ATOM 13473 H1 WAT 4135 16.449 67.192 40.679 1.00 0.00 H +ATOM 13474 H2 WAT 4135 17.748 66.766 41.331 1.00 0.00 H +TER +ATOM 13475 O WAT 4136 32.813 67.497 49.871 1.00 0.00 O +ATOM 13476 H1 WAT 4136 32.939 67.258 48.953 1.00 0.00 H +ATOM 13477 H2 WAT 4136 32.855 66.665 50.343 1.00 0.00 H +TER +ATOM 13478 O WAT 4137 32.665 59.550 50.836 1.00 0.00 O +ATOM 13479 H1 WAT 4137 32.050 60.058 50.308 1.00 0.00 H +ATOM 13480 H2 WAT 4137 32.345 58.650 50.779 1.00 0.00 H +TER +ATOM 13481 O WAT 4138 15.668 66.392 47.663 1.00 0.00 O +ATOM 13482 H1 WAT 4138 15.831 65.922 46.845 1.00 0.00 H +ATOM 13483 H2 WAT 4138 16.133 65.884 48.328 1.00 0.00 H +TER +ATOM 13484 O WAT 4139 20.440 55.522 42.699 1.00 0.00 O +ATOM 13485 H1 WAT 4139 19.996 56.303 42.367 1.00 0.00 H +ATOM 13486 H2 WAT 4139 20.998 55.845 43.406 1.00 0.00 H +TER +ATOM 13487 O WAT 4140 24.727 58.389 48.302 1.00 0.00 O +ATOM 13488 H1 WAT 4140 24.264 58.597 49.114 1.00 0.00 H +ATOM 13489 H2 WAT 4140 24.324 57.575 47.999 1.00 0.00 H +TER +ATOM 13490 O WAT 4141 29.727 59.610 49.432 1.00 0.00 O +ATOM 13491 H1 WAT 4141 28.876 59.311 49.753 1.00 0.00 H +ATOM 13492 H2 WAT 4141 29.567 59.854 48.520 1.00 0.00 H +TER +ATOM 13493 O WAT 4142 26.822 61.110 51.532 1.00 0.00 O +ATOM 13494 H1 WAT 4142 27.147 60.277 51.192 1.00 0.00 H +ATOM 13495 H2 WAT 4142 27.610 61.633 51.680 1.00 0.00 H +TER +ATOM 13496 O WAT 4143 23.555 55.143 37.579 1.00 0.00 O +ATOM 13497 H1 WAT 4143 22.931 55.139 38.305 1.00 0.00 H +ATOM 13498 H2 WAT 4143 23.468 54.276 37.183 1.00 0.00 H +TER +ATOM 13499 O WAT 4144 22.477 56.067 44.558 1.00 0.00 O +ATOM 13500 H1 WAT 4144 22.774 56.973 44.477 1.00 0.00 H +ATOM 13501 H2 WAT 4144 23.026 55.579 43.944 1.00 0.00 H +TER +ATOM 13502 O WAT 4145 20.231 60.646 40.427 1.00 0.00 O +ATOM 13503 H1 WAT 4145 20.005 60.429 41.332 1.00 0.00 H +ATOM 13504 H2 WAT 4145 19.450 61.078 40.082 1.00 0.00 H +TER +ATOM 13505 O WAT 4146 27.461 60.652 39.026 1.00 0.00 O +ATOM 13506 H1 WAT 4146 26.862 61.376 38.842 1.00 0.00 H +ATOM 13507 H2 WAT 4146 28.009 60.590 38.244 1.00 0.00 H +TER +ATOM 13508 O WAT 4147 22.671 61.544 51.093 1.00 0.00 O +ATOM 13509 H1 WAT 4147 22.575 60.604 50.943 1.00 0.00 H +ATOM 13510 H2 WAT 4147 23.514 61.766 50.698 1.00 0.00 H +TER +ATOM 13511 O WAT 4148 26.067 59.288 41.056 1.00 0.00 O +ATOM 13512 H1 WAT 4148 26.460 59.606 40.243 1.00 0.00 H +ATOM 13513 H2 WAT 4148 26.429 58.410 41.171 1.00 0.00 H +TER +ATOM 13514 O WAT 4149 17.802 57.956 49.246 1.00 0.00 O +ATOM 13515 H1 WAT 4149 17.408 58.803 49.454 1.00 0.00 H +ATOM 13516 H2 WAT 4149 17.114 57.318 49.437 1.00 0.00 H +TER +ATOM 13517 O WAT 4150 24.376 58.039 52.316 1.00 0.00 O +ATOM 13518 H1 WAT 4150 23.686 57.846 52.951 1.00 0.00 H +ATOM 13519 H2 WAT 4150 25.120 58.323 52.849 1.00 0.00 H +TER +ATOM 13520 O WAT 4151 15.104 55.878 43.279 1.00 0.00 O +ATOM 13521 H1 WAT 4151 14.815 56.449 43.992 1.00 0.00 H +ATOM 13522 H2 WAT 4151 15.848 55.399 43.643 1.00 0.00 H +TER +ATOM 13523 O WAT 4152 15.291 59.820 34.490 1.00 0.00 O +ATOM 13524 H1 WAT 4152 15.208 60.764 34.631 1.00 0.00 H +ATOM 13525 H2 WAT 4152 14.939 59.678 33.611 1.00 0.00 H +TER +ATOM 13526 O WAT 4153 26.653 61.879 45.151 1.00 0.00 O +ATOM 13527 H1 WAT 4153 25.921 62.388 45.500 1.00 0.00 H +ATOM 13528 H2 WAT 4153 26.255 61.062 44.850 1.00 0.00 H +TER +ATOM 13529 O WAT 4154 23.090 58.554 43.557 1.00 0.00 O +ATOM 13530 H1 WAT 4154 23.094 58.113 42.707 1.00 0.00 H +ATOM 13531 H2 WAT 4154 23.986 58.876 43.664 1.00 0.00 H +TER +ATOM 13532 O WAT 4155 18.941 58.437 42.516 1.00 0.00 O +ATOM 13533 H1 WAT 4155 18.601 58.914 43.273 1.00 0.00 H +ATOM 13534 H2 WAT 4155 18.178 57.983 42.156 1.00 0.00 H +TER +ATOM 13535 O WAT 4156 23.152 59.556 36.547 1.00 0.00 O +ATOM 13536 H1 WAT 4156 23.274 59.514 37.496 1.00 0.00 H +ATOM 13537 H2 WAT 4156 22.767 60.418 36.392 1.00 0.00 H +TER +ATOM 13538 O WAT 4157 27.115 57.332 44.564 1.00 0.00 O +ATOM 13539 H1 WAT 4157 27.133 57.783 45.408 1.00 0.00 H +ATOM 13540 H2 WAT 4157 26.867 56.433 44.777 1.00 0.00 H +TER +ATOM 13541 O WAT 4158 22.165 61.866 35.946 1.00 0.00 O +ATOM 13542 H1 WAT 4158 21.596 61.417 35.319 1.00 0.00 H +ATOM 13543 H2 WAT 4158 22.874 62.225 35.412 1.00 0.00 H +TER +ATOM 13544 O WAT 4159 30.542 54.745 50.402 1.00 0.00 O +ATOM 13545 H1 WAT 4159 30.867 54.014 50.928 1.00 0.00 H +ATOM 13546 H2 WAT 4159 30.578 54.427 49.501 1.00 0.00 H +TER +ATOM 13547 O WAT 4160 17.242 65.767 49.822 1.00 0.00 O +ATOM 13548 H1 WAT 4160 16.857 65.126 50.421 1.00 0.00 H +ATOM 13549 H2 WAT 4160 17.553 66.470 50.392 1.00 0.00 H +TER +ATOM 13550 O WAT 4161 23.391 62.615 45.303 1.00 0.00 O +ATOM 13551 H1 WAT 4161 23.758 62.140 46.049 1.00 0.00 H +ATOM 13552 H2 WAT 4161 23.202 63.489 45.644 1.00 0.00 H +TER +ATOM 13553 O WAT 4162 16.255 57.359 41.433 1.00 0.00 O +ATOM 13554 H1 WAT 4162 15.970 56.994 42.270 1.00 0.00 H +ATOM 13555 H2 WAT 4162 16.193 56.627 40.819 1.00 0.00 H +TER +ATOM 13556 O WAT 4163 21.181 61.655 47.622 1.00 0.00 O +ATOM 13557 H1 WAT 4163 20.877 62.535 47.847 1.00 0.00 H +ATOM 13558 H2 WAT 4163 22.136 61.715 47.657 1.00 0.00 H +TER +ATOM 13559 O WAT 4164 19.709 65.861 38.218 1.00 0.00 O +ATOM 13560 H1 WAT 4164 18.936 65.321 38.058 1.00 0.00 H +ATOM 13561 H2 WAT 4164 20.439 65.342 37.880 1.00 0.00 H +TER +ATOM 13562 O WAT 4165 30.468 64.858 44.011 1.00 0.00 O +ATOM 13563 H1 WAT 4165 31.188 65.354 43.621 1.00 0.00 H +ATOM 13564 H2 WAT 4165 30.266 64.180 43.366 1.00 0.00 H +TER +ATOM 13565 O WAT 4166 25.929 56.252 38.154 1.00 0.00 O +ATOM 13566 H1 WAT 4166 25.116 55.753 38.078 1.00 0.00 H +ATOM 13567 H2 WAT 4166 25.735 57.092 37.738 1.00 0.00 H +TER +ATOM 13568 O WAT 4167 25.850 64.929 49.898 1.00 0.00 O +ATOM 13569 H1 WAT 4167 25.784 64.008 49.644 1.00 0.00 H +ATOM 13570 H2 WAT 4167 25.221 65.026 50.612 1.00 0.00 H +TER +ATOM 13571 O WAT 4168 28.644 60.624 36.450 1.00 0.00 O +ATOM 13572 H1 WAT 4168 29.532 60.935 36.275 1.00 0.00 H +ATOM 13573 H2 WAT 4168 28.615 59.751 36.058 1.00 0.00 H +TER +ATOM 13574 O WAT 4169 19.753 65.530 41.856 1.00 0.00 O +ATOM 13575 H1 WAT 4169 20.271 64.726 41.802 1.00 0.00 H +ATOM 13576 H2 WAT 4169 19.302 65.467 42.698 1.00 0.00 H +TER +ATOM 13577 O WAT 4170 24.640 66.796 37.129 1.00 0.00 O +ATOM 13578 H1 WAT 4170 24.982 67.540 36.633 1.00 0.00 H +ATOM 13579 H2 WAT 4170 23.811 67.109 37.491 1.00 0.00 H +TER +ATOM 13580 O WAT 4171 17.238 62.496 48.769 1.00 0.00 O +ATOM 13581 H1 WAT 4171 16.879 63.161 49.356 1.00 0.00 H +ATOM 13582 H2 WAT 4171 16.943 61.664 49.140 1.00 0.00 H +TER +ATOM 13583 O WAT 4172 20.439 62.954 51.653 1.00 0.00 O +ATOM 13584 H1 WAT 4172 20.139 63.100 50.756 1.00 0.00 H +ATOM 13585 H2 WAT 4172 21.210 62.395 51.560 1.00 0.00 H +TER +ATOM 13586 O WAT 4173 25.782 67.751 49.648 1.00 0.00 O +ATOM 13587 H1 WAT 4173 25.796 66.819 49.430 1.00 0.00 H +ATOM 13588 H2 WAT 4173 25.074 67.837 50.287 1.00 0.00 H +TER +ATOM 13589 O WAT 4174 30.915 61.935 35.918 1.00 0.00 O +ATOM 13590 H1 WAT 4174 30.832 62.366 35.068 1.00 0.00 H +ATOM 13591 H2 WAT 4174 31.635 62.395 36.351 1.00 0.00 H +TER +ATOM 13592 O WAT 4175 31.993 64.392 48.995 1.00 0.00 O +ATOM 13593 H1 WAT 4175 31.268 64.985 48.798 1.00 0.00 H +ATOM 13594 H2 WAT 4175 32.520 64.384 48.196 1.00 0.00 H +TER +ATOM 13595 O WAT 4176 27.523 66.118 42.494 1.00 0.00 O +ATOM 13596 H1 WAT 4176 27.875 65.521 41.834 1.00 0.00 H +ATOM 13597 H2 WAT 4176 26.639 65.792 42.664 1.00 0.00 H +TER +ATOM 13598 O WAT 4177 23.609 66.877 39.901 1.00 0.00 O +ATOM 13599 H1 WAT 4177 24.296 67.424 40.281 1.00 0.00 H +ATOM 13600 H2 WAT 4177 22.822 67.422 39.936 1.00 0.00 H +TER +ATOM 13601 O WAT 4178 15.748 62.495 35.392 1.00 0.00 O +ATOM 13602 H1 WAT 4178 16.618 62.777 35.676 1.00 0.00 H +ATOM 13603 H2 WAT 4178 15.257 63.308 35.277 1.00 0.00 H +TER +ATOM 13604 O WAT 4179 22.912 63.882 39.513 1.00 0.00 O +ATOM 13605 H1 WAT 4179 23.368 64.693 39.739 1.00 0.00 H +ATOM 13606 H2 WAT 4179 22.561 63.564 40.345 1.00 0.00 H +TER +ATOM 13607 O WAT 4180 18.813 54.226 39.985 1.00 0.00 O +ATOM 13608 H1 WAT 4180 18.685 54.218 40.934 1.00 0.00 H +ATOM 13609 H2 WAT 4180 17.989 54.564 39.634 1.00 0.00 H +TER +ATOM 13610 O WAT 4181 30.334 67.681 35.184 1.00 0.00 O +ATOM 13611 H1 WAT 4181 30.108 66.964 35.776 1.00 0.00 H +ATOM 13612 H2 WAT 4181 29.944 67.432 34.346 1.00 0.00 H +TER +ATOM 13613 O WAT 4182 15.812 55.985 49.446 1.00 0.00 O +ATOM 13614 H1 WAT 4182 15.098 56.185 50.051 1.00 0.00 H +ATOM 13615 H2 WAT 4182 16.232 55.209 49.818 1.00 0.00 H +TER +ATOM 13616 O WAT 4183 29.916 65.598 36.845 1.00 0.00 O +ATOM 13617 H1 WAT 4183 29.628 66.059 37.633 1.00 0.00 H +ATOM 13618 H2 WAT 4183 30.711 65.138 37.114 1.00 0.00 H +TER +ATOM 13619 O WAT 4184 17.733 64.312 37.520 1.00 0.00 O +ATOM 13620 H1 WAT 4184 17.126 65.052 37.530 1.00 0.00 H +ATOM 13621 H2 WAT 4184 18.208 64.402 36.694 1.00 0.00 H +TER +ATOM 13622 O WAT 4185 27.306 58.477 47.196 1.00 0.00 O +ATOM 13623 H1 WAT 4185 27.674 57.657 47.524 1.00 0.00 H +ATOM 13624 H2 WAT 4185 26.446 58.537 47.612 1.00 0.00 H +TER +ATOM 13625 O WAT 4186 30.673 57.433 38.005 1.00 0.00 O +ATOM 13626 H1 WAT 4186 30.044 57.537 37.291 1.00 0.00 H +ATOM 13627 H2 WAT 4186 30.178 57.653 38.794 1.00 0.00 H +TER +ATOM 13628 O WAT 4187 22.641 59.711 39.421 1.00 0.00 O +ATOM 13629 H1 WAT 4187 21.933 60.180 39.862 1.00 0.00 H +ATOM 13630 H2 WAT 4187 22.925 59.054 40.055 1.00 0.00 H +TER +ATOM 13631 O WAT 4188 24.267 61.131 47.420 1.00 0.00 O +ATOM 13632 H1 WAT 4188 24.765 61.606 48.085 1.00 0.00 H +ATOM 13633 H2 WAT 4188 24.409 60.208 47.627 1.00 0.00 H +TER +ATOM 13634 O WAT 4189 26.672 56.437 40.860 1.00 0.00 O +ATOM 13635 H1 WAT 4189 26.549 56.455 39.911 1.00 0.00 H +ATOM 13636 H2 WAT 4189 27.621 56.484 40.980 1.00 0.00 H +TER +ATOM 13637 O WAT 4190 20.844 58.020 36.796 1.00 0.00 O +ATOM 13638 H1 WAT 4190 21.693 58.457 36.730 1.00 0.00 H +ATOM 13639 H2 WAT 4190 20.478 58.332 37.623 1.00 0.00 H +TER +ATOM 13640 O WAT 4191 31.473 57.348 48.263 1.00 0.00 O +ATOM 13641 H1 WAT 4191 30.971 58.088 48.602 1.00 0.00 H +ATOM 13642 H2 WAT 4191 32.289 57.736 47.946 1.00 0.00 H +TER +ATOM 13643 O WAT 4192 29.765 62.591 41.709 1.00 0.00 O +ATOM 13644 H1 WAT 4192 28.824 62.606 41.884 1.00 0.00 H +ATOM 13645 H2 WAT 4192 30.080 61.805 42.155 1.00 0.00 H +TER +ATOM 13646 O WAT 4193 19.744 64.273 35.269 1.00 0.00 O +ATOM 13647 H1 WAT 4193 20.510 64.161 35.832 1.00 0.00 H +ATOM 13648 H2 WAT 4193 19.821 63.577 34.617 1.00 0.00 H +TER +ATOM 13649 O WAT 4194 18.438 61.706 35.953 1.00 0.00 O +ATOM 13650 H1 WAT 4194 18.519 60.758 36.064 1.00 0.00 H +ATOM 13651 H2 WAT 4194 19.330 62.036 36.059 1.00 0.00 H +TER +ATOM 13652 O WAT 4195 27.082 67.148 52.192 1.00 0.00 O +ATOM 13653 H1 WAT 4195 26.476 67.171 51.452 1.00 0.00 H +ATOM 13654 H2 WAT 4195 26.777 66.416 52.729 1.00 0.00 H +TER +ATOM 13655 O WAT 4196 15.965 63.527 51.188 1.00 0.00 O +ATOM 13656 H1 WAT 4196 16.469 62.948 51.760 1.00 0.00 H +ATOM 13657 H2 WAT 4196 15.226 63.811 51.726 1.00 0.00 H +TER +ATOM 13658 O WAT 4197 22.868 66.249 34.743 1.00 0.00 O +ATOM 13659 H1 WAT 4197 22.763 65.634 35.469 1.00 0.00 H +ATOM 13660 H2 WAT 4197 22.700 65.725 33.959 1.00 0.00 H +TER +ATOM 13661 O WAT 4198 23.019 64.934 50.722 1.00 0.00 O +ATOM 13662 H1 WAT 4198 22.254 65.503 50.637 1.00 0.00 H +ATOM 13663 H2 WAT 4198 23.201 64.642 49.829 1.00 0.00 H +TER +ATOM 13664 O WAT 4199 26.108 65.311 35.347 1.00 0.00 O +ATOM 13665 H1 WAT 4199 25.559 65.758 35.991 1.00 0.00 H +ATOM 13666 H2 WAT 4199 26.730 64.806 35.871 1.00 0.00 H +TER +ATOM 13667 O WAT 4200 30.161 66.665 51.279 1.00 0.00 O +ATOM 13668 H1 WAT 4200 30.902 67.002 50.776 1.00 0.00 H +ATOM 13669 H2 WAT 4200 29.399 66.834 50.726 1.00 0.00 H +TER +ATOM 13670 O WAT 4201 17.998 61.670 52.083 1.00 0.00 O +ATOM 13671 H1 WAT 4201 18.038 61.372 52.992 1.00 0.00 H +ATOM 13672 H2 WAT 4201 18.852 62.071 51.924 1.00 0.00 H +TER +ATOM 13673 O WAT 4202 21.775 64.270 37.244 1.00 0.00 O +ATOM 13674 H1 WAT 4202 22.197 64.104 38.087 1.00 0.00 H +ATOM 13675 H2 WAT 4202 21.901 63.460 36.749 1.00 0.00 H +TER +ATOM 13676 O WAT 4203 19.938 60.249 50.051 1.00 0.00 O +ATOM 13677 H1 WAT 4203 19.408 59.758 49.423 1.00 0.00 H +ATOM 13678 H2 WAT 4203 20.607 60.678 49.516 1.00 0.00 H +TER +ATOM 13679 O WAT 4204 24.288 63.294 34.491 1.00 0.00 O +ATOM 13680 H1 WAT 4204 24.809 62.578 34.125 1.00 0.00 H +ATOM 13681 H2 WAT 4204 24.935 63.932 34.791 1.00 0.00 H +TER +ATOM 13682 O WAT 4205 28.836 64.716 49.815 1.00 0.00 O +ATOM 13683 H1 WAT 4205 29.250 64.871 50.664 1.00 0.00 H +ATOM 13684 H2 WAT 4205 27.901 64.842 49.977 1.00 0.00 H +TER +ATOM 13685 O WAT 4206 29.308 62.056 51.819 1.00 0.00 O +ATOM 13686 H1 WAT 4206 29.890 61.301 51.731 1.00 0.00 H +ATOM 13687 H2 WAT 4206 29.484 62.587 51.042 1.00 0.00 H +TER +ATOM 13688 O WAT 4207 20.425 57.216 50.130 1.00 0.00 O +ATOM 13689 H1 WAT 4207 20.331 56.598 49.406 1.00 0.00 H +ATOM 13690 H2 WAT 4207 19.845 57.942 49.903 1.00 0.00 H +TER +ATOM 13691 O WAT 4208 23.192 55.773 47.163 1.00 0.00 O +ATOM 13692 H1 WAT 4208 22.743 55.795 46.318 1.00 0.00 H +ATOM 13693 H2 WAT 4208 22.558 55.375 47.760 1.00 0.00 H +TER +ATOM 13694 O WAT 4209 23.598 64.668 47.784 1.00 0.00 O +ATOM 13695 H1 WAT 4209 24.016 65.512 47.612 1.00 0.00 H +ATOM 13696 H2 WAT 4209 22.678 64.806 47.555 1.00 0.00 H +TER +ATOM 13697 O WAT 4210 25.934 62.400 49.168 1.00 0.00 O +ATOM 13698 H1 WAT 4210 26.054 61.804 49.908 1.00 0.00 H +ATOM 13699 H2 WAT 4210 26.793 62.437 48.748 1.00 0.00 H +TER +ATOM 13700 O WAT 4211 28.273 62.954 47.744 1.00 0.00 O +ATOM 13701 H1 WAT 4211 27.746 63.478 47.141 1.00 0.00 H +ATOM 13702 H2 WAT 4211 28.616 63.586 48.375 1.00 0.00 H +TER +ATOM 13703 O WAT 4212 20.671 60.343 34.189 1.00 0.00 O +ATOM 13704 H1 WAT 4212 20.470 59.480 34.551 1.00 0.00 H +ATOM 13705 H2 WAT 4212 20.501 60.256 33.252 1.00 0.00 H +TER +ATOM 13706 O WAT 4213 22.701 58.942 50.426 1.00 0.00 O +ATOM 13707 H1 WAT 4213 23.291 58.634 51.114 1.00 0.00 H +ATOM 13708 H2 WAT 4213 21.883 58.470 50.582 1.00 0.00 H +TER +ATOM 13709 O WAT 4214 27.520 58.559 50.659 1.00 0.00 O +ATOM 13710 H1 WAT 4214 26.832 57.897 50.594 1.00 0.00 H +ATOM 13711 H2 WAT 4214 28.241 58.113 51.104 1.00 0.00 H +TER +ATOM 13712 O WAT 4215 28.150 55.154 36.718 1.00 0.00 O +ATOM 13713 H1 WAT 4215 28.430 54.311 37.074 1.00 0.00 H +ATOM 13714 H2 WAT 4215 27.377 55.386 37.232 1.00 0.00 H +TER +ATOM 13715 O WAT 4216 19.470 57.443 34.177 1.00 0.00 O +ATOM 13716 H1 WAT 4216 19.772 57.450 33.269 1.00 0.00 H +ATOM 13717 H2 WAT 4216 20.209 57.093 34.674 1.00 0.00 H +TER +ATOM 13718 O WAT 4217 22.688 56.387 35.163 1.00 0.00 O +ATOM 13719 H1 WAT 4217 22.340 55.709 34.583 1.00 0.00 H +ATOM 13720 H2 WAT 4217 22.889 55.926 35.977 1.00 0.00 H +TER +ATOM 13721 O WAT 4218 18.493 66.747 35.010 1.00 0.00 O +ATOM 13722 H1 WAT 4218 18.930 67.290 35.666 1.00 0.00 H +ATOM 13723 H2 WAT 4218 18.977 65.922 35.020 1.00 0.00 H +TER +ATOM 13724 O WAT 4219 20.303 67.867 40.122 1.00 0.00 O +ATOM 13725 H1 WAT 4219 20.003 67.744 41.023 1.00 0.00 H +ATOM 13726 H2 WAT 4219 20.197 67.008 39.714 1.00 0.00 H +TER +ATOM 13727 O WAT 4220 32.528 64.392 37.328 1.00 0.00 O +ATOM 13728 H1 WAT 4220 33.290 64.961 37.434 1.00 0.00 H +ATOM 13729 H2 WAT 4220 32.544 63.824 38.099 1.00 0.00 H +TER +ATOM 13730 O WAT 4221 16.029 62.915 41.559 1.00 0.00 O +ATOM 13731 H1 WAT 4221 15.374 62.647 40.915 1.00 0.00 H +ATOM 13732 H2 WAT 4221 16.866 62.806 41.109 1.00 0.00 H +TER +ATOM 13733 O WAT 4222 33.534 65.247 42.173 1.00 0.00 O +ATOM 13734 H1 WAT 4222 33.905 64.463 41.766 1.00 0.00 H +ATOM 13735 H2 WAT 4222 34.174 65.935 41.994 1.00 0.00 H +TER +ATOM 13736 O WAT 4223 30.518 66.630 47.586 1.00 0.00 O +ATOM 13737 H1 WAT 4223 29.704 67.060 47.848 1.00 0.00 H +ATOM 13738 H2 WAT 4223 30.925 67.242 46.973 1.00 0.00 H +TER +ATOM 13739 O WAT 4224 32.580 64.685 34.486 1.00 0.00 O +ATOM 13740 H1 WAT 4224 32.855 65.593 34.358 1.00 0.00 H +ATOM 13741 H2 WAT 4224 32.391 64.621 35.422 1.00 0.00 H +TER +ATOM 13742 O WAT 4225 28.978 57.709 35.781 1.00 0.00 O +ATOM 13743 H1 WAT 4225 29.396 57.523 34.941 1.00 0.00 H +ATOM 13744 H2 WAT 4225 28.671 56.857 36.091 1.00 0.00 H +TER +ATOM 13745 O WAT 4226 32.477 62.622 39.479 1.00 0.00 O +ATOM 13746 H1 WAT 4226 32.101 61.855 39.047 1.00 0.00 H +ATOM 13747 H2 WAT 4226 31.747 63.004 39.966 1.00 0.00 H +TER +ATOM 13748 O WAT 4227 17.066 63.301 46.100 1.00 0.00 O +ATOM 13749 H1 WAT 4227 17.434 63.213 46.979 1.00 0.00 H +ATOM 13750 H2 WAT 4227 16.497 62.537 46.000 1.00 0.00 H +TER +ATOM 13751 O WAT 4228 31.867 61.769 49.113 1.00 0.00 O +ATOM 13752 H1 WAT 4228 31.635 61.540 48.212 1.00 0.00 H +ATOM 13753 H2 WAT 4228 32.127 62.689 49.067 1.00 0.00 H +TER +ATOM 13754 O WAT 4229 16.618 60.212 50.005 1.00 0.00 O +ATOM 13755 H1 WAT 4229 15.723 60.178 50.345 1.00 0.00 H +ATOM 13756 H2 WAT 4229 17.158 60.410 50.771 1.00 0.00 H +TER +ATOM 13757 O WAT 4230 30.305 56.995 51.891 1.00 0.00 O +ATOM 13758 H1 WAT 4230 31.183 57.003 52.274 1.00 0.00 H +ATOM 13759 H2 WAT 4230 30.318 56.258 51.280 1.00 0.00 H +TER +ATOM 13760 O WAT 4231 15.243 60.125 37.502 1.00 0.00 O +ATOM 13761 H1 WAT 4231 14.339 60.388 37.327 1.00 0.00 H +ATOM 13762 H2 WAT 4231 15.727 60.396 36.722 1.00 0.00 H +TER +ATOM 13763 O WAT 4232 31.752 60.848 42.779 1.00 0.00 O +ATOM 13764 H1 WAT 4232 32.276 60.354 42.148 1.00 0.00 H +ATOM 13765 H2 WAT 4232 32.338 60.983 43.524 1.00 0.00 H +TER +ATOM 13766 O WAT 4233 31.931 60.932 46.301 1.00 0.00 O +ATOM 13767 H1 WAT 4233 30.981 60.898 46.416 1.00 0.00 H +ATOM 13768 H2 WAT 4233 32.112 61.842 46.066 1.00 0.00 H +TER +ATOM 13769 O WAT 4234 17.785 59.182 35.411 1.00 0.00 O +ATOM 13770 H1 WAT 4234 18.494 58.760 34.926 1.00 0.00 H +ATOM 13771 H2 WAT 4234 17.069 59.249 34.780 1.00 0.00 H +TER +ATOM 13772 O WAT 4235 17.433 55.236 34.452 1.00 0.00 O +ATOM 13773 H1 WAT 4235 18.155 55.777 34.770 1.00 0.00 H +ATOM 13774 H2 WAT 4235 17.705 54.962 33.576 1.00 0.00 H +TER +ATOM 13775 O WAT 4236 31.242 60.105 38.719 1.00 0.00 O +ATOM 13776 H1 WAT 4236 31.738 59.872 39.504 1.00 0.00 H +ATOM 13777 H2 WAT 4236 31.043 59.266 38.302 1.00 0.00 H +TER +ATOM 13778 O WAT 4237 17.122 54.486 44.354 1.00 0.00 O +ATOM 13779 H1 WAT 4237 17.769 53.936 43.913 1.00 0.00 H +ATOM 13780 H2 WAT 4237 17.542 54.741 45.175 1.00 0.00 H +TER +ATOM 13781 O WAT 4238 32.671 58.741 41.252 1.00 0.00 O +ATOM 13782 H1 WAT 4238 32.560 58.587 42.191 1.00 0.00 H +ATOM 13783 H2 WAT 4238 33.431 58.213 41.010 1.00 0.00 H +TER +ATOM 13784 O WAT 4239 31.017 54.680 47.711 1.00 0.00 O +ATOM 13785 H1 WAT 4239 31.654 55.294 48.077 1.00 0.00 H +ATOM 13786 H2 WAT 4239 31.165 54.717 46.766 1.00 0.00 H +TER +ATOM 13787 O WAT 4240 33.560 56.572 34.493 1.00 0.00 O +ATOM 13788 H1 WAT 4240 34.484 56.440 34.285 1.00 0.00 H +ATOM 13789 H2 WAT 4240 33.537 56.651 35.447 1.00 0.00 H +TER +ATOM 13790 O WAT 4241 33.633 57.343 37.119 1.00 0.00 O +ATOM 13791 H1 WAT 4241 32.839 57.277 37.648 1.00 0.00 H +ATOM 13792 H2 WAT 4241 33.838 58.278 37.107 1.00 0.00 H +TER +ATOM 13793 O WAT 4242 16.875 54.642 47.096 1.00 0.00 O +ATOM 13794 H1 WAT 4242 16.527 55.098 47.862 1.00 0.00 H +ATOM 13795 H2 WAT 4242 16.544 53.748 47.179 1.00 0.00 H +TER +ATOM 13796 O WAT 4243 24.388 55.833 50.618 1.00 0.00 O +ATOM 13797 H1 WAT 4243 24.326 56.425 51.368 1.00 0.00 H +ATOM 13798 H2 WAT 4243 25.328 55.726 50.473 1.00 0.00 H +TER +ATOM 13799 O WAT 4244 27.025 55.490 50.257 1.00 0.00 O +ATOM 13800 H1 WAT 4244 27.639 55.808 49.596 1.00 0.00 H +ATOM 13801 H2 WAT 4244 27.570 55.005 50.877 1.00 0.00 H +TER +ATOM 13802 O WAT 4245 17.547 54.170 50.371 1.00 0.00 O +ATOM 13803 H1 WAT 4245 18.095 53.988 49.608 1.00 0.00 H +ATOM 13804 H2 WAT 4245 17.613 53.379 50.907 1.00 0.00 H +TER +ATOM 13805 O WAT 4246 27.766 54.053 46.584 1.00 0.00 O +ATOM 13806 H1 WAT 4246 26.892 54.387 46.382 1.00 0.00 H +ATOM 13807 H2 WAT 4246 27.657 53.581 47.410 1.00 0.00 H +TER +ATOM 13808 O WAT 4247 28.673 56.260 47.969 1.00 0.00 O +ATOM 13809 H1 WAT 4247 28.344 55.446 47.589 1.00 0.00 H +ATOM 13810 H2 WAT 4247 29.621 56.217 47.845 1.00 0.00 H +TER +ATOM 13811 O WAT 4248 25.513 54.970 45.524 1.00 0.00 O +ATOM 13812 H1 WAT 4248 24.730 55.445 45.803 1.00 0.00 H +ATOM 13813 H2 WAT 4248 25.220 54.066 45.415 1.00 0.00 H +TER +ATOM 13814 O WAT 4249 30.065 55.673 43.569 1.00 0.00 O +ATOM 13815 H1 WAT 4249 30.506 55.617 42.721 1.00 0.00 H +ATOM 13816 H2 WAT 4249 29.796 56.588 43.640 1.00 0.00 H +TER +ATOM 13817 O WAT 4250 31.929 55.304 41.579 1.00 0.00 O +ATOM 13818 H1 WAT 4250 31.868 54.360 41.433 1.00 0.00 H +ATOM 13819 H2 WAT 4250 32.708 55.412 42.125 1.00 0.00 H +TER +ATOM 13820 O WAT 4251 16.857 55.275 38.045 1.00 0.00 O +ATOM 13821 H1 WAT 4251 17.615 55.388 37.471 1.00 0.00 H +ATOM 13822 H2 WAT 4251 16.395 56.112 37.999 1.00 0.00 H +TER +ATOM 13823 O WAT 4252 23.399 57.389 41.035 1.00 0.00 O +ATOM 13824 H1 WAT 4252 22.586 57.015 40.695 1.00 0.00 H +ATOM 13825 H2 WAT 4252 23.903 56.633 41.337 1.00 0.00 H +TER +ATOM 13826 O WAT 4253 27.901 54.053 42.274 1.00 0.00 O +ATOM 13827 H1 WAT 4253 28.504 54.625 42.748 1.00 0.00 H +ATOM 13828 H2 WAT 4253 27.161 54.617 42.051 1.00 0.00 H +TER +ATOM 13829 O WAT 4254 31.045 54.455 37.548 1.00 0.00 O +ATOM 13830 H1 WAT 4254 31.240 55.354 37.814 1.00 0.00 H +ATOM 13831 H2 WAT 4254 30.258 54.224 38.041 1.00 0.00 H +TER +ATOM 13832 O WAT 4255 19.230 55.801 36.585 1.00 0.00 O +ATOM 13833 H1 WAT 4255 19.759 55.014 36.456 1.00 0.00 H +ATOM 13834 H2 WAT 4255 19.863 56.481 36.819 1.00 0.00 H +TER +ATOM 13835 O WAT 4256 21.424 55.539 39.640 1.00 0.00 O +ATOM 13836 H1 WAT 4256 20.794 54.838 39.807 1.00 0.00 H +ATOM 13837 H2 WAT 4256 20.884 56.299 39.423 1.00 0.00 H +TER +ATOM 13838 O WAT 4257 21.549 54.817 52.075 1.00 0.00 O +ATOM 13839 H1 WAT 4257 21.268 55.321 51.311 1.00 0.00 H +ATOM 13840 H2 WAT 4257 21.931 54.020 51.709 1.00 0.00 H +TER +ATOM 13841 O WAT 4258 28.151 54.233 52.653 1.00 0.00 O +ATOM 13842 H1 WAT 4258 28.037 54.552 53.548 1.00 0.00 H +ATOM 13843 H2 WAT 4258 28.968 54.634 52.357 1.00 0.00 H +TER +ATOM 13844 O WAT 4259 27.057 62.252 23.017 1.00 0.00 O +ATOM 13845 H1 WAT 4259 26.976 61.337 22.746 1.00 0.00 H +ATOM 13846 H2 WAT 4259 26.643 62.749 22.311 1.00 0.00 H +TER +ATOM 13847 O WAT 4260 25.188 64.030 24.897 1.00 0.00 O +ATOM 13848 H1 WAT 4260 24.413 63.550 25.187 1.00 0.00 H +ATOM 13849 H2 WAT 4260 25.840 63.350 24.723 1.00 0.00 H +TER +ATOM 13850 O WAT 4261 19.205 64.342 25.775 1.00 0.00 O +ATOM 13851 H1 WAT 4261 18.373 64.087 26.175 1.00 0.00 H +ATOM 13852 H2 WAT 4261 19.813 64.413 26.511 1.00 0.00 H +TER +ATOM 13853 O WAT 4262 17.614 59.302 19.559 1.00 0.00 O +ATOM 13854 H1 WAT 4262 16.726 59.644 19.457 1.00 0.00 H +ATOM 13855 H2 WAT 4262 17.898 59.102 18.667 1.00 0.00 H +TER +ATOM 13856 O WAT 4263 15.577 61.903 25.443 1.00 0.00 O +ATOM 13857 H1 WAT 4263 16.149 61.135 25.444 1.00 0.00 H +ATOM 13858 H2 WAT 4263 15.578 62.201 24.534 1.00 0.00 H +TER +ATOM 13859 O WAT 4264 24.629 66.706 24.905 1.00 0.00 O +ATOM 13860 H1 WAT 4264 24.560 65.765 24.743 1.00 0.00 H +ATOM 13861 H2 WAT 4264 25.391 66.796 25.477 1.00 0.00 H +TER +ATOM 13862 O WAT 4265 16.820 57.311 27.230 1.00 0.00 O +ATOM 13863 H1 WAT 4265 16.640 56.414 27.510 1.00 0.00 H +ATOM 13864 H2 WAT 4265 16.418 57.858 27.905 1.00 0.00 H +TER +ATOM 13865 O WAT 4266 25.660 59.513 25.131 1.00 0.00 O +ATOM 13866 H1 WAT 4266 26.036 58.640 25.019 1.00 0.00 H +ATOM 13867 H2 WAT 4266 25.562 59.849 24.240 1.00 0.00 H +TER +ATOM 13868 O WAT 4267 19.790 57.885 20.593 1.00 0.00 O +ATOM 13869 H1 WAT 4267 19.897 58.786 20.900 1.00 0.00 H +ATOM 13870 H2 WAT 4267 18.880 57.837 20.303 1.00 0.00 H +TER +ATOM 13871 O WAT 4268 29.442 57.008 22.064 1.00 0.00 O +ATOM 13872 H1 WAT 4268 30.263 56.517 22.107 1.00 0.00 H +ATOM 13873 H2 WAT 4268 29.476 57.597 22.817 1.00 0.00 H +TER +ATOM 13874 O WAT 4269 17.439 59.807 25.838 1.00 0.00 O +ATOM 13875 H1 WAT 4269 18.120 60.071 26.457 1.00 0.00 H +ATOM 13876 H2 WAT 4269 17.123 58.967 26.172 1.00 0.00 H +TER +ATOM 13877 O WAT 4270 21.631 60.854 24.926 1.00 0.00 O +ATOM 13878 H1 WAT 4270 22.139 61.352 25.566 1.00 0.00 H +ATOM 13879 H2 WAT 4270 22.162 60.077 24.750 1.00 0.00 H +TER +ATOM 13880 O WAT 4271 33.732 59.024 28.629 1.00 0.00 O +ATOM 13881 H1 WAT 4271 33.027 59.413 28.110 1.00 0.00 H +ATOM 13882 H2 WAT 4271 33.998 59.719 29.231 1.00 0.00 H +TER +ATOM 13883 O WAT 4272 19.915 55.494 29.192 1.00 0.00 O +ATOM 13884 H1 WAT 4272 19.916 56.011 28.387 1.00 0.00 H +ATOM 13885 H2 WAT 4272 19.085 55.017 29.169 1.00 0.00 H +TER +ATOM 13886 O WAT 4273 26.302 65.606 20.691 1.00 0.00 O +ATOM 13887 H1 WAT 4273 25.683 66.071 20.127 1.00 0.00 H +ATOM 13888 H2 WAT 4273 26.814 66.298 21.108 1.00 0.00 H +TER +ATOM 13889 O WAT 4274 21.165 65.133 27.369 1.00 0.00 O +ATOM 13890 H1 WAT 4274 20.832 65.760 28.011 1.00 0.00 H +ATOM 13891 H2 WAT 4274 21.342 65.659 26.590 1.00 0.00 H +TER +ATOM 13892 O WAT 4275 29.678 58.948 24.837 1.00 0.00 O +ATOM 13893 H1 WAT 4275 28.974 59.236 25.417 1.00 0.00 H +ATOM 13894 H2 WAT 4275 30.040 59.758 24.477 1.00 0.00 H +TER +ATOM 13895 O WAT 4276 19.596 57.205 27.199 1.00 0.00 O +ATOM 13896 H1 WAT 4276 19.938 58.049 26.904 1.00 0.00 H +ATOM 13897 H2 WAT 4276 18.658 57.353 27.316 1.00 0.00 H +TER +ATOM 13898 O WAT 4277 20.377 67.101 29.184 1.00 0.00 O +ATOM 13899 H1 WAT 4277 20.994 67.776 28.903 1.00 0.00 H +ATOM 13900 H2 WAT 4277 19.516 67.510 29.093 1.00 0.00 H +TER +ATOM 13901 O WAT 4278 15.670 66.291 18.065 1.00 0.00 O +ATOM 13902 H1 WAT 4278 15.293 66.780 17.333 1.00 0.00 H +ATOM 13903 H2 WAT 4278 15.927 66.964 18.696 1.00 0.00 H +TER +ATOM 13904 O WAT 4279 32.747 58.393 25.228 1.00 0.00 O +ATOM 13905 H1 WAT 4279 31.800 58.427 25.359 1.00 0.00 H +ATOM 13906 H2 WAT 4279 33.072 59.207 25.613 1.00 0.00 H +TER +ATOM 13907 O WAT 4280 23.279 54.693 23.524 1.00 0.00 O +ATOM 13908 H1 WAT 4280 23.586 54.138 22.807 1.00 0.00 H +ATOM 13909 H2 WAT 4280 22.349 54.827 23.341 1.00 0.00 H +TER +ATOM 13910 O WAT 4281 30.125 67.131 20.903 1.00 0.00 O +ATOM 13911 H1 WAT 4281 30.015 66.189 21.028 1.00 0.00 H +ATOM 13912 H2 WAT 4281 30.122 67.493 21.790 1.00 0.00 H +TER +ATOM 13913 O WAT 4282 28.229 65.313 27.143 1.00 0.00 O +ATOM 13914 H1 WAT 4282 28.646 65.099 26.308 1.00 0.00 H +ATOM 13915 H2 WAT 4282 28.953 65.570 27.713 1.00 0.00 H +TER +ATOM 13916 O WAT 4283 25.667 62.758 20.260 1.00 0.00 O +ATOM 13917 H1 WAT 4283 24.740 62.692 20.488 1.00 0.00 H +ATOM 13918 H2 WAT 4283 25.820 63.696 20.145 1.00 0.00 H +TER +ATOM 13919 O WAT 4284 25.654 59.030 17.256 1.00 0.00 O +ATOM 13920 H1 WAT 4284 24.714 59.191 17.341 1.00 0.00 H +ATOM 13921 H2 WAT 4284 25.972 59.748 16.710 1.00 0.00 H +TER +ATOM 13922 O WAT 4285 32.175 63.711 27.234 1.00 0.00 O +ATOM 13923 H1 WAT 4285 31.347 63.781 26.759 1.00 0.00 H +ATOM 13924 H2 WAT 4285 32.770 64.297 26.766 1.00 0.00 H +TER +ATOM 13925 O WAT 4286 29.697 64.320 20.763 1.00 0.00 O +ATOM 13926 H1 WAT 4286 29.078 63.982 20.116 1.00 0.00 H +ATOM 13927 H2 WAT 4286 29.679 63.676 21.471 1.00 0.00 H +TER +ATOM 13928 O WAT 4287 29.139 60.498 28.180 1.00 0.00 O +ATOM 13929 H1 WAT 4287 28.727 61.324 28.434 1.00 0.00 H +ATOM 13930 H2 WAT 4287 28.407 59.913 27.987 1.00 0.00 H +TER +ATOM 13931 O WAT 4288 21.273 63.284 23.041 1.00 0.00 O +ATOM 13932 H1 WAT 4288 20.868 62.572 22.546 1.00 0.00 H +ATOM 13933 H2 WAT 4288 21.359 62.940 23.930 1.00 0.00 H +TER +ATOM 13934 O WAT 4289 21.741 66.971 25.205 1.00 0.00 O +ATOM 13935 H1 WAT 4289 21.444 66.366 24.526 1.00 0.00 H +ATOM 13936 H2 WAT 4289 22.691 67.009 25.094 1.00 0.00 H +TER +ATOM 13937 O WAT 4290 19.986 60.059 26.821 1.00 0.00 O +ATOM 13938 H1 WAT 4290 20.537 60.168 26.047 1.00 0.00 H +ATOM 13939 H2 WAT 4290 20.500 60.432 27.537 1.00 0.00 H +TER +ATOM 13940 O WAT 4291 20.833 66.709 31.856 1.00 0.00 O +ATOM 13941 H1 WAT 4291 19.936 66.933 32.104 1.00 0.00 H +ATOM 13942 H2 WAT 4291 20.858 66.833 30.907 1.00 0.00 H +TER +ATOM 13943 O WAT 4292 27.873 63.559 17.770 1.00 0.00 O +ATOM 13944 H1 WAT 4292 28.313 62.721 17.624 1.00 0.00 H +ATOM 13945 H2 WAT 4292 28.586 64.191 17.857 1.00 0.00 H +TER +ATOM 13946 O WAT 4293 19.660 63.581 30.432 1.00 0.00 O +ATOM 13947 H1 WAT 4293 19.521 64.453 30.801 1.00 0.00 H +ATOM 13948 H2 WAT 4293 18.778 63.238 30.287 1.00 0.00 H +TER +ATOM 13949 O WAT 4294 31.455 54.813 16.084 1.00 0.00 O +ATOM 13950 H1 WAT 4294 31.142 54.905 16.984 1.00 0.00 H +ATOM 13951 H2 WAT 4294 32.216 55.391 16.034 1.00 0.00 H +TER +ATOM 13952 O WAT 4295 17.973 62.179 20.542 1.00 0.00 O +ATOM 13953 H1 WAT 4295 17.853 62.905 19.930 1.00 0.00 H +ATOM 13954 H2 WAT 4295 17.663 61.409 20.065 1.00 0.00 H +TER +ATOM 13955 O WAT 4296 15.612 65.350 26.349 1.00 0.00 O +ATOM 13956 H1 WAT 4296 15.690 65.485 25.405 1.00 0.00 H +ATOM 13957 H2 WAT 4296 16.226 64.642 26.542 1.00 0.00 H +TER +ATOM 13958 O WAT 4297 16.856 67.050 22.760 1.00 0.00 O +ATOM 13959 H1 WAT 4297 16.449 67.192 21.905 1.00 0.00 H +ATOM 13960 H2 WAT 4297 17.748 66.766 22.557 1.00 0.00 H +TER +ATOM 13961 O WAT 4298 32.813 67.497 31.097 1.00 0.00 O +ATOM 13962 H1 WAT 4298 32.939 67.258 30.179 1.00 0.00 H +ATOM 13963 H2 WAT 4298 32.855 66.665 31.569 1.00 0.00 H +TER +ATOM 13964 O WAT 4299 32.665 59.550 32.062 1.00 0.00 O +ATOM 13965 H1 WAT 4299 32.050 60.058 31.533 1.00 0.00 H +ATOM 13966 H2 WAT 4299 32.345 58.650 32.004 1.00 0.00 H +TER +ATOM 13967 O WAT 4300 15.668 66.392 28.888 1.00 0.00 O +ATOM 13968 H1 WAT 4300 15.831 65.922 28.070 1.00 0.00 H +ATOM 13969 H2 WAT 4300 16.133 65.884 29.553 1.00 0.00 H +TER +ATOM 13970 O WAT 4301 20.440 55.522 23.925 1.00 0.00 O +ATOM 13971 H1 WAT 4301 19.996 56.303 23.593 1.00 0.00 H +ATOM 13972 H2 WAT 4301 20.998 55.845 24.632 1.00 0.00 H +TER +ATOM 13973 O WAT 4302 24.727 58.389 29.528 1.00 0.00 O +ATOM 13974 H1 WAT 4302 24.264 58.597 30.340 1.00 0.00 H +ATOM 13975 H2 WAT 4302 24.324 57.575 29.225 1.00 0.00 H +TER +ATOM 13976 O WAT 4303 29.727 59.610 30.658 1.00 0.00 O +ATOM 13977 H1 WAT 4303 28.876 59.311 30.979 1.00 0.00 H +ATOM 13978 H2 WAT 4303 29.567 59.854 29.746 1.00 0.00 H +TER +ATOM 13979 O WAT 4304 26.822 61.110 32.758 1.00 0.00 O +ATOM 13980 H1 WAT 4304 27.147 60.277 32.418 1.00 0.00 H +ATOM 13981 H2 WAT 4304 27.610 61.633 32.905 1.00 0.00 H +TER +ATOM 13982 O WAT 4305 23.555 55.143 18.805 1.00 0.00 O +ATOM 13983 H1 WAT 4305 22.931 55.139 19.530 1.00 0.00 H +ATOM 13984 H2 WAT 4305 23.468 54.276 18.409 1.00 0.00 H +TER +ATOM 13985 O WAT 4306 22.477 56.067 25.783 1.00 0.00 O +ATOM 13986 H1 WAT 4306 22.774 56.973 25.703 1.00 0.00 H +ATOM 13987 H2 WAT 4306 23.026 55.579 25.169 1.00 0.00 H +TER +ATOM 13988 O WAT 4307 20.231 60.646 21.653 1.00 0.00 O +ATOM 13989 H1 WAT 4307 20.005 60.429 22.557 1.00 0.00 H +ATOM 13990 H2 WAT 4307 19.450 61.078 21.307 1.00 0.00 H +TER +ATOM 13991 O WAT 4308 27.461 60.652 20.252 1.00 0.00 O +ATOM 13992 H1 WAT 4308 26.862 61.376 20.068 1.00 0.00 H +ATOM 13993 H2 WAT 4308 28.009 60.590 19.469 1.00 0.00 H +TER +ATOM 13994 O WAT 4309 22.671 61.544 32.319 1.00 0.00 O +ATOM 13995 H1 WAT 4309 22.575 60.604 32.169 1.00 0.00 H +ATOM 13996 H2 WAT 4309 23.514 61.766 31.923 1.00 0.00 H +TER +ATOM 13997 O WAT 4310 26.067 59.288 22.282 1.00 0.00 O +ATOM 13998 H1 WAT 4310 26.460 59.606 21.469 1.00 0.00 H +ATOM 13999 H2 WAT 4310 26.429 58.410 22.396 1.00 0.00 H +TER +ATOM 14000 O WAT 4311 17.802 57.956 30.472 1.00 0.00 O +ATOM 14001 H1 WAT 4311 17.408 58.803 30.679 1.00 0.00 H +ATOM 14002 H2 WAT 4311 17.114 57.318 30.663 1.00 0.00 H +TER +ATOM 14003 O WAT 4312 24.376 58.039 33.542 1.00 0.00 O +ATOM 14004 H1 WAT 4312 23.686 57.846 34.176 1.00 0.00 H +ATOM 14005 H2 WAT 4312 25.120 58.323 34.074 1.00 0.00 H +TER +ATOM 14006 O WAT 4313 15.104 55.878 24.505 1.00 0.00 O +ATOM 14007 H1 WAT 4313 14.815 56.449 25.218 1.00 0.00 H +ATOM 14008 H2 WAT 4313 15.848 55.399 24.868 1.00 0.00 H +TER +ATOM 14009 O WAT 4314 15.291 59.820 15.715 1.00 0.00 O +ATOM 14010 H1 WAT 4314 15.208 60.764 15.857 1.00 0.00 H +ATOM 14011 H2 WAT 4314 14.939 59.678 14.837 1.00 0.00 H +TER +ATOM 14012 O WAT 4315 26.653 61.879 26.377 1.00 0.00 O +ATOM 14013 H1 WAT 4315 25.921 62.388 26.726 1.00 0.00 H +ATOM 14014 H2 WAT 4315 26.255 61.062 26.076 1.00 0.00 H +TER +ATOM 14015 O WAT 4316 23.090 58.554 24.782 1.00 0.00 O +ATOM 14016 H1 WAT 4316 23.094 58.113 23.933 1.00 0.00 H +ATOM 14017 H2 WAT 4316 23.986 58.876 24.890 1.00 0.00 H +TER +ATOM 14018 O WAT 4317 18.941 58.437 23.742 1.00 0.00 O +ATOM 14019 H1 WAT 4317 18.601 58.914 24.498 1.00 0.00 H +ATOM 14020 H2 WAT 4317 18.178 57.983 23.382 1.00 0.00 H +TER +ATOM 14021 O WAT 4318 23.152 59.556 17.773 1.00 0.00 O +ATOM 14022 H1 WAT 4318 23.274 59.514 18.722 1.00 0.00 H +ATOM 14023 H2 WAT 4318 22.767 60.418 17.618 1.00 0.00 H +TER +ATOM 14024 O WAT 4319 27.115 57.332 25.789 1.00 0.00 O +ATOM 14025 H1 WAT 4319 27.133 57.783 26.634 1.00 0.00 H +ATOM 14026 H2 WAT 4319 26.867 56.433 26.003 1.00 0.00 H +TER +ATOM 14027 O WAT 4320 22.165 61.866 17.171 1.00 0.00 O +ATOM 14028 H1 WAT 4320 21.596 61.417 16.545 1.00 0.00 H +ATOM 14029 H2 WAT 4320 22.874 62.225 16.638 1.00 0.00 H +TER +ATOM 14030 O WAT 4321 17.242 65.767 31.048 1.00 0.00 O +ATOM 14031 H1 WAT 4321 16.857 65.126 31.646 1.00 0.00 H +ATOM 14032 H2 WAT 4321 17.553 66.470 31.618 1.00 0.00 H +TER +ATOM 14033 O WAT 4322 23.391 62.615 26.529 1.00 0.00 O +ATOM 14034 H1 WAT 4322 23.758 62.140 27.275 1.00 0.00 H +ATOM 14035 H2 WAT 4322 23.202 63.489 26.870 1.00 0.00 H +TER +ATOM 14036 O WAT 4323 16.255 57.359 22.658 1.00 0.00 O +ATOM 14037 H1 WAT 4323 15.970 56.994 23.496 1.00 0.00 H +ATOM 14038 H2 WAT 4323 16.193 56.627 22.045 1.00 0.00 H +TER +ATOM 14039 O WAT 4324 21.181 61.655 28.847 1.00 0.00 O +ATOM 14040 H1 WAT 4324 20.877 62.535 29.072 1.00 0.00 H +ATOM 14041 H2 WAT 4324 22.136 61.715 28.883 1.00 0.00 H +TER +ATOM 14042 O WAT 4325 19.709 65.861 19.444 1.00 0.00 O +ATOM 14043 H1 WAT 4325 18.936 65.321 19.284 1.00 0.00 H +ATOM 14044 H2 WAT 4325 20.439 65.342 19.106 1.00 0.00 H +TER +ATOM 14045 O WAT 4326 30.468 64.858 25.237 1.00 0.00 O +ATOM 14046 H1 WAT 4326 31.188 65.354 24.846 1.00 0.00 H +ATOM 14047 H2 WAT 4326 30.266 64.180 24.592 1.00 0.00 H +TER +ATOM 14048 O WAT 4327 25.929 56.252 19.380 1.00 0.00 O +ATOM 14049 H1 WAT 4327 25.116 55.753 19.304 1.00 0.00 H +ATOM 14050 H2 WAT 4327 25.735 57.092 18.963 1.00 0.00 H +TER +ATOM 14051 O WAT 4328 25.850 64.929 31.124 1.00 0.00 O +ATOM 14052 H1 WAT 4328 25.784 64.008 30.869 1.00 0.00 H +ATOM 14053 H2 WAT 4328 25.221 65.026 31.838 1.00 0.00 H +TER +ATOM 14054 O WAT 4329 28.644 60.624 17.676 1.00 0.00 O +ATOM 14055 H1 WAT 4329 29.532 60.935 17.501 1.00 0.00 H +ATOM 14056 H2 WAT 4329 28.615 59.751 17.284 1.00 0.00 H +TER +ATOM 14057 O WAT 4330 19.753 65.530 23.082 1.00 0.00 O +ATOM 14058 H1 WAT 4330 20.271 64.726 23.028 1.00 0.00 H +ATOM 14059 H2 WAT 4330 19.302 65.467 23.924 1.00 0.00 H +TER +ATOM 14060 O WAT 4331 24.640 66.796 18.355 1.00 0.00 O +ATOM 14061 H1 WAT 4331 24.982 67.540 17.859 1.00 0.00 H +ATOM 14062 H2 WAT 4331 23.811 67.109 18.717 1.00 0.00 H +TER +ATOM 14063 O WAT 4332 17.238 62.496 29.994 1.00 0.00 O +ATOM 14064 H1 WAT 4332 16.879 63.161 30.582 1.00 0.00 H +ATOM 14065 H2 WAT 4332 16.943 61.664 30.366 1.00 0.00 H +TER +ATOM 14066 O WAT 4333 20.439 62.954 32.878 1.00 0.00 O +ATOM 14067 H1 WAT 4333 20.139 63.100 31.981 1.00 0.00 H +ATOM 14068 H2 WAT 4333 21.210 62.395 32.786 1.00 0.00 H +TER +ATOM 14069 O WAT 4334 25.782 67.751 30.874 1.00 0.00 O +ATOM 14070 H1 WAT 4334 25.796 66.819 30.656 1.00 0.00 H +ATOM 14071 H2 WAT 4334 25.074 67.837 31.513 1.00 0.00 H +TER +ATOM 14072 O WAT 4335 30.915 61.935 17.144 1.00 0.00 O +ATOM 14073 H1 WAT 4335 30.832 62.366 16.293 1.00 0.00 H +ATOM 14074 H2 WAT 4335 31.635 62.395 17.576 1.00 0.00 H +TER +ATOM 14075 O WAT 4336 31.993 64.392 30.221 1.00 0.00 O +ATOM 14076 H1 WAT 4336 31.268 64.985 30.024 1.00 0.00 H +ATOM 14077 H2 WAT 4336 32.520 64.384 29.422 1.00 0.00 H +TER +ATOM 14078 O WAT 4337 27.523 66.118 23.719 1.00 0.00 O +ATOM 14079 H1 WAT 4337 27.875 65.521 23.059 1.00 0.00 H +ATOM 14080 H2 WAT 4337 26.639 65.792 23.890 1.00 0.00 H +TER +ATOM 14081 O WAT 4338 23.609 66.877 21.126 1.00 0.00 O +ATOM 14082 H1 WAT 4338 24.296 67.424 21.507 1.00 0.00 H +ATOM 14083 H2 WAT 4338 22.822 67.422 21.161 1.00 0.00 H +TER +ATOM 14084 O WAT 4339 15.748 62.495 16.618 1.00 0.00 O +ATOM 14085 H1 WAT 4339 16.618 62.777 16.902 1.00 0.00 H +ATOM 14086 H2 WAT 4339 15.257 63.308 16.503 1.00 0.00 H +TER +ATOM 14087 O WAT 4340 22.912 63.882 20.739 1.00 0.00 O +ATOM 14088 H1 WAT 4340 23.368 64.693 20.965 1.00 0.00 H +ATOM 14089 H2 WAT 4340 22.561 63.564 21.571 1.00 0.00 H +TER +ATOM 14090 O WAT 4341 18.813 54.226 21.211 1.00 0.00 O +ATOM 14091 H1 WAT 4341 18.685 54.218 22.160 1.00 0.00 H +ATOM 14092 H2 WAT 4341 17.989 54.564 20.860 1.00 0.00 H +TER +ATOM 14093 O WAT 4342 30.334 67.681 16.410 1.00 0.00 O +ATOM 14094 H1 WAT 4342 30.108 66.964 17.002 1.00 0.00 H +ATOM 14095 H2 WAT 4342 29.944 67.432 15.572 1.00 0.00 H +TER +ATOM 14096 O WAT 4343 15.812 55.985 30.672 1.00 0.00 O +ATOM 14097 H1 WAT 4343 15.098 56.185 31.277 1.00 0.00 H +ATOM 14098 H2 WAT 4343 16.232 55.209 31.043 1.00 0.00 H +TER +ATOM 14099 O WAT 4344 29.916 65.598 18.071 1.00 0.00 O +ATOM 14100 H1 WAT 4344 29.628 66.059 18.859 1.00 0.00 H +ATOM 14101 H2 WAT 4344 30.711 65.138 18.339 1.00 0.00 H +TER +ATOM 14102 O WAT 4345 17.733 64.312 18.746 1.00 0.00 O +ATOM 14103 H1 WAT 4345 17.126 65.052 18.756 1.00 0.00 H +ATOM 14104 H2 WAT 4345 18.208 64.402 17.920 1.00 0.00 H +TER +ATOM 14105 O WAT 4346 27.306 58.477 28.422 1.00 0.00 O +ATOM 14106 H1 WAT 4346 27.674 57.657 28.750 1.00 0.00 H +ATOM 14107 H2 WAT 4346 26.446 58.537 28.837 1.00 0.00 H +TER +ATOM 14108 O WAT 4347 30.673 57.433 19.231 1.00 0.00 O +ATOM 14109 H1 WAT 4347 30.044 57.537 18.516 1.00 0.00 H +ATOM 14110 H2 WAT 4347 30.178 57.653 20.020 1.00 0.00 H +TER +ATOM 14111 O WAT 4348 22.641 59.711 20.646 1.00 0.00 O +ATOM 14112 H1 WAT 4348 21.933 60.180 21.088 1.00 0.00 H +ATOM 14113 H2 WAT 4348 22.925 59.054 21.281 1.00 0.00 H +TER +ATOM 14114 O WAT 4349 24.267 61.131 28.646 1.00 0.00 O +ATOM 14115 H1 WAT 4349 24.765 61.606 29.311 1.00 0.00 H +ATOM 14116 H2 WAT 4349 24.409 60.208 28.853 1.00 0.00 H +TER +ATOM 14117 O WAT 4350 26.672 56.437 22.086 1.00 0.00 O +ATOM 14118 H1 WAT 4350 26.549 56.455 21.137 1.00 0.00 H +ATOM 14119 H2 WAT 4350 27.621 56.484 22.206 1.00 0.00 H +TER +ATOM 14120 O WAT 4351 20.844 58.020 18.021 1.00 0.00 O +ATOM 14121 H1 WAT 4351 21.693 58.457 17.955 1.00 0.00 H +ATOM 14122 H2 WAT 4351 20.478 58.332 18.849 1.00 0.00 H +TER +ATOM 14123 O WAT 4352 31.473 57.348 29.488 1.00 0.00 O +ATOM 14124 H1 WAT 4352 30.971 58.088 29.828 1.00 0.00 H +ATOM 14125 H2 WAT 4352 32.289 57.736 29.172 1.00 0.00 H +TER +ATOM 14126 O WAT 4353 29.765 62.591 22.935 1.00 0.00 O +ATOM 14127 H1 WAT 4353 28.824 62.606 23.109 1.00 0.00 H +ATOM 14128 H2 WAT 4353 30.080 61.805 23.381 1.00 0.00 H +TER +ATOM 14129 O WAT 4354 19.744 64.273 16.495 1.00 0.00 O +ATOM 14130 H1 WAT 4354 20.510 64.161 17.058 1.00 0.00 H +ATOM 14131 H2 WAT 4354 19.821 63.577 15.843 1.00 0.00 H +TER +ATOM 14132 O WAT 4355 18.438 61.706 17.178 1.00 0.00 O +ATOM 14133 H1 WAT 4355 18.519 60.758 17.290 1.00 0.00 H +ATOM 14134 H2 WAT 4355 19.330 62.036 17.284 1.00 0.00 H +TER +ATOM 14135 O WAT 4356 27.082 67.148 33.418 1.00 0.00 O +ATOM 14136 H1 WAT 4356 26.476 67.171 32.677 1.00 0.00 H +ATOM 14137 H2 WAT 4356 26.777 66.416 33.955 1.00 0.00 H +TER +ATOM 14138 O WAT 4357 15.965 63.527 32.414 1.00 0.00 O +ATOM 14139 H1 WAT 4357 16.469 62.948 32.986 1.00 0.00 H +ATOM 14140 H2 WAT 4357 15.226 63.811 32.952 1.00 0.00 H +TER +ATOM 14141 O WAT 4358 22.868 66.249 15.969 1.00 0.00 O +ATOM 14142 H1 WAT 4358 22.763 65.634 16.695 1.00 0.00 H +ATOM 14143 H2 WAT 4358 22.700 65.725 15.185 1.00 0.00 H +TER +ATOM 14144 O WAT 4359 23.019 64.934 31.947 1.00 0.00 O +ATOM 14145 H1 WAT 4359 22.254 65.503 31.863 1.00 0.00 H +ATOM 14146 H2 WAT 4359 23.201 64.642 31.054 1.00 0.00 H +TER +ATOM 14147 O WAT 4360 26.108 65.311 16.573 1.00 0.00 O +ATOM 14148 H1 WAT 4360 25.559 65.758 17.217 1.00 0.00 H +ATOM 14149 H2 WAT 4360 26.730 64.806 17.096 1.00 0.00 H +TER +ATOM 14150 O WAT 4361 30.161 66.665 32.505 1.00 0.00 O +ATOM 14151 H1 WAT 4361 30.902 67.002 32.002 1.00 0.00 H +ATOM 14152 H2 WAT 4361 29.399 66.834 31.952 1.00 0.00 H +TER +ATOM 14153 O WAT 4362 17.998 61.670 33.309 1.00 0.00 O +ATOM 14154 H1 WAT 4362 18.038 61.372 34.217 1.00 0.00 H +ATOM 14155 H2 WAT 4362 18.852 62.071 33.150 1.00 0.00 H +TER +ATOM 14156 O WAT 4363 21.775 64.270 18.469 1.00 0.00 O +ATOM 14157 H1 WAT 4363 22.197 64.104 19.312 1.00 0.00 H +ATOM 14158 H2 WAT 4363 21.901 63.460 17.975 1.00 0.00 H +TER +ATOM 14159 O WAT 4364 19.938 60.249 31.276 1.00 0.00 O +ATOM 14160 H1 WAT 4364 19.408 59.758 30.649 1.00 0.00 H +ATOM 14161 H2 WAT 4364 20.607 60.678 30.742 1.00 0.00 H +TER +ATOM 14162 O WAT 4365 24.288 63.294 15.717 1.00 0.00 O +ATOM 14163 H1 WAT 4365 24.809 62.578 15.351 1.00 0.00 H +ATOM 14164 H2 WAT 4365 24.935 63.932 16.017 1.00 0.00 H +TER +ATOM 14165 O WAT 4366 28.836 64.716 31.040 1.00 0.00 O +ATOM 14166 H1 WAT 4366 29.250 64.871 31.890 1.00 0.00 H +ATOM 14167 H2 WAT 4366 27.901 64.842 31.203 1.00 0.00 H +TER +ATOM 14168 O WAT 4367 29.308 62.056 33.044 1.00 0.00 O +ATOM 14169 H1 WAT 4367 29.890 61.301 32.956 1.00 0.00 H +ATOM 14170 H2 WAT 4367 29.484 62.587 32.268 1.00 0.00 H +TER +ATOM 14171 O WAT 4368 20.425 57.216 31.356 1.00 0.00 O +ATOM 14172 H1 WAT 4368 20.331 56.598 30.631 1.00 0.00 H +ATOM 14173 H2 WAT 4368 19.845 57.942 31.129 1.00 0.00 H +TER +ATOM 14174 O WAT 4369 23.598 64.668 29.010 1.00 0.00 O +ATOM 14175 H1 WAT 4369 24.016 65.512 28.838 1.00 0.00 H +ATOM 14176 H2 WAT 4369 22.678 64.806 28.781 1.00 0.00 H +TER +ATOM 14177 O WAT 4370 25.934 62.400 30.394 1.00 0.00 O +ATOM 14178 H1 WAT 4370 26.054 61.804 31.133 1.00 0.00 H +ATOM 14179 H2 WAT 4370 26.793 62.437 29.974 1.00 0.00 H +TER +ATOM 14180 O WAT 4371 28.273 62.954 28.970 1.00 0.00 O +ATOM 14181 H1 WAT 4371 27.746 63.478 28.367 1.00 0.00 H +ATOM 14182 H2 WAT 4371 28.616 63.586 29.601 1.00 0.00 H +TER +ATOM 14183 O WAT 4372 20.671 60.343 15.415 1.00 0.00 O +ATOM 14184 H1 WAT 4372 20.470 59.480 15.776 1.00 0.00 H +ATOM 14185 H2 WAT 4372 20.501 60.256 14.477 1.00 0.00 H +TER +ATOM 14186 O WAT 4373 22.701 58.942 31.651 1.00 0.00 O +ATOM 14187 H1 WAT 4373 23.291 58.634 32.339 1.00 0.00 H +ATOM 14188 H2 WAT 4373 21.883 58.470 31.807 1.00 0.00 H +TER +ATOM 14189 O WAT 4374 27.520 58.559 31.885 1.00 0.00 O +ATOM 14190 H1 WAT 4374 26.832 57.897 31.820 1.00 0.00 H +ATOM 14191 H2 WAT 4374 28.241 58.113 32.330 1.00 0.00 H +TER +ATOM 14192 O WAT 4375 28.150 55.154 17.944 1.00 0.00 O +ATOM 14193 H1 WAT 4375 28.430 54.311 18.300 1.00 0.00 H +ATOM 14194 H2 WAT 4375 27.377 55.386 18.458 1.00 0.00 H +TER +ATOM 14195 O WAT 4376 19.470 57.443 15.403 1.00 0.00 O +ATOM 14196 H1 WAT 4376 19.772 57.450 14.495 1.00 0.00 H +ATOM 14197 H2 WAT 4376 20.209 57.093 15.900 1.00 0.00 H +TER +ATOM 14198 O WAT 4377 22.688 56.387 16.388 1.00 0.00 O +ATOM 14199 H1 WAT 4377 22.340 55.709 15.809 1.00 0.00 H +ATOM 14200 H2 WAT 4377 22.889 55.926 17.203 1.00 0.00 H +TER +ATOM 14201 O WAT 4378 18.493 66.747 16.236 1.00 0.00 O +ATOM 14202 H1 WAT 4378 18.930 67.290 16.892 1.00 0.00 H +ATOM 14203 H2 WAT 4378 18.977 65.922 16.245 1.00 0.00 H +TER +ATOM 14204 O WAT 4379 20.303 67.867 21.348 1.00 0.00 O +ATOM 14205 H1 WAT 4379 20.003 67.744 22.248 1.00 0.00 H +ATOM 14206 H2 WAT 4379 20.197 67.008 20.940 1.00 0.00 H +TER +ATOM 14207 O WAT 4380 32.528 64.392 18.554 1.00 0.00 O +ATOM 14208 H1 WAT 4380 33.290 64.961 18.660 1.00 0.00 H +ATOM 14209 H2 WAT 4380 32.544 63.824 19.325 1.00 0.00 H +TER +ATOM 14210 O WAT 4381 16.029 62.915 22.785 1.00 0.00 O +ATOM 14211 H1 WAT 4381 15.374 62.647 22.141 1.00 0.00 H +ATOM 14212 H2 WAT 4381 16.866 62.806 22.335 1.00 0.00 H +TER +ATOM 14213 O WAT 4382 33.534 65.247 23.398 1.00 0.00 O +ATOM 14214 H1 WAT 4382 33.905 64.463 22.992 1.00 0.00 H +ATOM 14215 H2 WAT 4382 34.174 65.935 23.220 1.00 0.00 H +TER +ATOM 14216 O WAT 4383 30.518 66.630 28.811 1.00 0.00 O +ATOM 14217 H1 WAT 4383 29.704 67.060 29.074 1.00 0.00 H +ATOM 14218 H2 WAT 4383 30.925 67.242 28.198 1.00 0.00 H +TER +ATOM 14219 O WAT 4384 32.580 64.685 15.711 1.00 0.00 O +ATOM 14220 H1 WAT 4384 32.855 65.593 15.583 1.00 0.00 H +ATOM 14221 H2 WAT 4384 32.391 64.621 16.648 1.00 0.00 H +TER +ATOM 14222 O WAT 4385 28.978 57.709 17.007 1.00 0.00 O +ATOM 14223 H1 WAT 4385 29.396 57.523 16.166 1.00 0.00 H +ATOM 14224 H2 WAT 4385 28.671 56.857 17.317 1.00 0.00 H +TER +ATOM 14225 O WAT 4386 32.477 62.622 20.704 1.00 0.00 O +ATOM 14226 H1 WAT 4386 32.101 61.855 20.272 1.00 0.00 H +ATOM 14227 H2 WAT 4386 31.747 63.004 21.192 1.00 0.00 H +TER +ATOM 14228 O WAT 4387 17.066 63.301 27.325 1.00 0.00 O +ATOM 14229 H1 WAT 4387 17.434 63.213 28.205 1.00 0.00 H +ATOM 14230 H2 WAT 4387 16.497 62.537 27.226 1.00 0.00 H +TER +ATOM 14231 O WAT 4388 31.867 61.769 30.338 1.00 0.00 O +ATOM 14232 H1 WAT 4388 31.635 61.540 29.438 1.00 0.00 H +ATOM 14233 H2 WAT 4388 32.127 62.689 30.293 1.00 0.00 H +TER +ATOM 14234 O WAT 4389 16.618 60.212 31.231 1.00 0.00 O +ATOM 14235 H1 WAT 4389 15.723 60.178 31.570 1.00 0.00 H +ATOM 14236 H2 WAT 4389 17.158 60.410 31.996 1.00 0.00 H +TER +ATOM 14237 O WAT 4390 30.305 56.995 33.116 1.00 0.00 O +ATOM 14238 H1 WAT 4390 31.183 57.003 33.500 1.00 0.00 H +ATOM 14239 H2 WAT 4390 30.318 56.258 32.506 1.00 0.00 H +TER +ATOM 14240 O WAT 4391 15.243 60.125 18.727 1.00 0.00 O +ATOM 14241 H1 WAT 4391 14.339 60.388 18.553 1.00 0.00 H +ATOM 14242 H2 WAT 4391 15.727 60.396 17.947 1.00 0.00 H +TER +ATOM 14243 O WAT 4392 31.752 60.848 24.005 1.00 0.00 O +ATOM 14244 H1 WAT 4392 32.276 60.354 23.374 1.00 0.00 H +ATOM 14245 H2 WAT 4392 32.338 60.983 24.750 1.00 0.00 H +TER +ATOM 14246 O WAT 4393 31.931 60.932 27.527 1.00 0.00 O +ATOM 14247 H1 WAT 4393 30.981 60.898 27.642 1.00 0.00 H +ATOM 14248 H2 WAT 4393 32.112 61.842 27.292 1.00 0.00 H +TER +ATOM 14249 O WAT 4394 17.785 59.182 16.637 1.00 0.00 O +ATOM 14250 H1 WAT 4394 18.494 58.760 16.152 1.00 0.00 H +ATOM 14251 H2 WAT 4394 17.069 59.249 16.005 1.00 0.00 H +TER +ATOM 14252 O WAT 4395 17.433 55.236 15.677 1.00 0.00 O +ATOM 14253 H1 WAT 4395 18.155 55.777 15.995 1.00 0.00 H +ATOM 14254 H2 WAT 4395 17.705 54.962 14.801 1.00 0.00 H +TER +ATOM 14255 O WAT 4396 31.242 60.105 19.944 1.00 0.00 O +ATOM 14256 H1 WAT 4396 31.738 59.872 20.729 1.00 0.00 H +ATOM 14257 H2 WAT 4396 31.043 59.266 19.528 1.00 0.00 H +TER +ATOM 14258 O WAT 4397 17.122 54.486 25.579 1.00 0.00 O +ATOM 14259 H1 WAT 4397 17.769 53.936 25.139 1.00 0.00 H +ATOM 14260 H2 WAT 4397 17.542 54.741 26.401 1.00 0.00 H +TER +ATOM 14261 O WAT 4398 32.671 58.741 22.478 1.00 0.00 O +ATOM 14262 H1 WAT 4398 32.560 58.587 23.416 1.00 0.00 H +ATOM 14263 H2 WAT 4398 33.431 58.213 22.236 1.00 0.00 H +TER +ATOM 14264 O WAT 4399 33.560 56.572 15.719 1.00 0.00 O +ATOM 14265 H1 WAT 4399 34.484 56.440 15.511 1.00 0.00 H +ATOM 14266 H2 WAT 4399 33.537 56.651 16.672 1.00 0.00 H +TER +ATOM 14267 O WAT 4400 33.633 57.343 18.344 1.00 0.00 O +ATOM 14268 H1 WAT 4400 32.839 57.277 18.874 1.00 0.00 H +ATOM 14269 H2 WAT 4400 33.838 58.278 18.333 1.00 0.00 H +TER +ATOM 14270 O WAT 4401 16.875 54.642 28.322 1.00 0.00 O +ATOM 14271 H1 WAT 4401 16.527 55.098 29.088 1.00 0.00 H +ATOM 14272 H2 WAT 4401 16.544 53.748 28.404 1.00 0.00 H +TER +ATOM 14273 O WAT 4402 17.547 54.170 31.597 1.00 0.00 O +ATOM 14274 H1 WAT 4402 18.095 53.988 30.834 1.00 0.00 H +ATOM 14275 H2 WAT 4402 17.613 53.379 32.133 1.00 0.00 H +TER +ATOM 14276 O WAT 4403 28.673 56.260 29.194 1.00 0.00 O +ATOM 14277 H1 WAT 4403 28.344 55.446 28.814 1.00 0.00 H +ATOM 14278 H2 WAT 4403 29.621 56.217 29.071 1.00 0.00 H +TER +ATOM 14279 O WAT 4404 30.065 55.673 24.794 1.00 0.00 O +ATOM 14280 H1 WAT 4404 30.506 55.617 23.946 1.00 0.00 H +ATOM 14281 H2 WAT 4404 29.796 56.588 24.865 1.00 0.00 H +TER +ATOM 14282 O WAT 4405 31.929 55.304 22.805 1.00 0.00 O +ATOM 14283 H1 WAT 4405 31.868 54.360 22.658 1.00 0.00 H +ATOM 14284 H2 WAT 4405 32.708 55.412 23.350 1.00 0.00 H +TER +ATOM 14285 O WAT 4406 16.857 55.275 19.271 1.00 0.00 O +ATOM 14286 H1 WAT 4406 17.615 55.388 18.697 1.00 0.00 H +ATOM 14287 H2 WAT 4406 16.395 56.112 19.225 1.00 0.00 H +TER +ATOM 14288 O WAT 4407 23.399 57.389 22.261 1.00 0.00 O +ATOM 14289 H1 WAT 4407 22.586 57.015 21.921 1.00 0.00 H +ATOM 14290 H2 WAT 4407 23.903 56.633 22.563 1.00 0.00 H +TER +ATOM 14291 O WAT 4408 27.901 54.053 23.499 1.00 0.00 O +ATOM 14292 H1 WAT 4408 28.504 54.625 23.974 1.00 0.00 H +ATOM 14293 H2 WAT 4408 27.161 54.617 23.277 1.00 0.00 H +TER +ATOM 14294 O WAT 4409 31.045 54.455 18.773 1.00 0.00 O +ATOM 14295 H1 WAT 4409 31.240 55.354 19.040 1.00 0.00 H +ATOM 14296 H2 WAT 4409 30.258 54.224 19.267 1.00 0.00 H +TER +ATOM 14297 O WAT 4410 19.230 55.801 17.811 1.00 0.00 O +ATOM 14298 H1 WAT 4410 19.759 55.014 17.682 1.00 0.00 H +ATOM 14299 H2 WAT 4410 19.863 56.481 18.044 1.00 0.00 H +TER +ATOM 14300 O WAT 4411 21.424 55.539 20.865 1.00 0.00 O +ATOM 14301 H1 WAT 4411 20.794 54.838 21.032 1.00 0.00 H +ATOM 14302 H2 WAT 4411 20.884 56.299 20.649 1.00 0.00 H +TER +ATOM 14303 O WAT 4412 27.057 62.252 4.242 1.00 0.00 O +ATOM 14304 H1 WAT 4412 26.976 61.337 3.971 1.00 0.00 H +ATOM 14305 H2 WAT 4412 26.643 62.749 3.536 1.00 0.00 H +TER +ATOM 14306 O WAT 4413 25.188 64.030 6.123 1.00 0.00 O +ATOM 14307 H1 WAT 4413 24.413 63.550 6.413 1.00 0.00 H +ATOM 14308 H2 WAT 4413 25.840 63.350 5.949 1.00 0.00 H +TER +ATOM 14309 O WAT 4414 19.205 64.342 7.001 1.00 0.00 O +ATOM 14310 H1 WAT 4414 18.373 64.087 7.400 1.00 0.00 H +ATOM 14311 H2 WAT 4414 19.813 64.413 7.737 1.00 0.00 H +TER +ATOM 14312 O WAT 4415 15.577 61.903 6.669 1.00 0.00 O +ATOM 14313 H1 WAT 4415 16.149 61.135 6.669 1.00 0.00 H +ATOM 14314 H2 WAT 4415 15.578 62.201 5.760 1.00 0.00 H +TER +ATOM 14315 O WAT 4416 24.629 66.706 6.130 1.00 0.00 O +ATOM 14316 H1 WAT 4416 24.560 65.765 5.969 1.00 0.00 H +ATOM 14317 H2 WAT 4416 25.391 66.796 6.702 1.00 0.00 H +TER +ATOM 14318 O WAT 4417 16.820 57.311 8.456 1.00 0.00 O +ATOM 14319 H1 WAT 4417 16.640 56.414 8.736 1.00 0.00 H +ATOM 14320 H2 WAT 4417 16.418 57.858 9.131 1.00 0.00 H +TER +ATOM 14321 O WAT 4418 25.660 59.513 6.357 1.00 0.00 O +ATOM 14322 H1 WAT 4418 26.036 58.640 6.244 1.00 0.00 H +ATOM 14323 H2 WAT 4418 25.562 59.849 5.466 1.00 0.00 H +TER +ATOM 14324 O WAT 4419 29.442 57.008 3.290 1.00 0.00 O +ATOM 14325 H1 WAT 4419 30.263 56.517 3.332 1.00 0.00 H +ATOM 14326 H2 WAT 4419 29.476 57.597 4.043 1.00 0.00 H +TER +ATOM 14327 O WAT 4420 17.439 59.807 7.064 1.00 0.00 O +ATOM 14328 H1 WAT 4420 18.120 60.071 7.683 1.00 0.00 H +ATOM 14329 H2 WAT 4420 17.123 58.967 7.398 1.00 0.00 H +TER +ATOM 14330 O WAT 4421 21.631 60.854 6.151 1.00 0.00 O +ATOM 14331 H1 WAT 4421 22.139 61.352 6.792 1.00 0.00 H +ATOM 14332 H2 WAT 4421 22.162 60.077 5.975 1.00 0.00 H +TER +ATOM 14333 O WAT 4422 33.732 59.024 9.854 1.00 0.00 O +ATOM 14334 H1 WAT 4422 33.027 59.413 9.336 1.00 0.00 H +ATOM 14335 H2 WAT 4422 33.998 59.719 10.456 1.00 0.00 H +TER +ATOM 14336 O WAT 4423 19.915 55.494 10.418 1.00 0.00 O +ATOM 14337 H1 WAT 4423 19.916 56.011 9.612 1.00 0.00 H +ATOM 14338 H2 WAT 4423 19.085 55.017 10.395 1.00 0.00 H +TER +ATOM 14339 O WAT 4424 21.165 65.133 8.595 1.00 0.00 O +ATOM 14340 H1 WAT 4424 20.832 65.760 9.237 1.00 0.00 H +ATOM 14341 H2 WAT 4424 21.342 65.659 7.815 1.00 0.00 H +TER +ATOM 14342 O WAT 4425 29.678 58.948 6.063 1.00 0.00 O +ATOM 14343 H1 WAT 4425 28.974 59.236 6.643 1.00 0.00 H +ATOM 14344 H2 WAT 4425 30.040 59.758 5.703 1.00 0.00 H +TER +ATOM 14345 O WAT 4426 19.596 57.205 8.425 1.00 0.00 O +ATOM 14346 H1 WAT 4426 19.938 58.049 8.130 1.00 0.00 H +ATOM 14347 H2 WAT 4426 18.658 57.353 8.541 1.00 0.00 H +TER +ATOM 14348 O WAT 4427 20.377 67.101 10.410 1.00 0.00 O +ATOM 14349 H1 WAT 4427 20.994 67.776 10.128 1.00 0.00 H +ATOM 14350 H2 WAT 4427 19.516 67.510 10.319 1.00 0.00 H +TER +ATOM 14351 O WAT 4428 32.747 58.393 6.454 1.00 0.00 O +ATOM 14352 H1 WAT 4428 31.800 58.427 6.585 1.00 0.00 H +ATOM 14353 H2 WAT 4428 33.072 59.207 6.838 1.00 0.00 H +TER +ATOM 14354 O WAT 4429 23.279 54.693 4.749 1.00 0.00 O +ATOM 14355 H1 WAT 4429 23.586 54.138 4.033 1.00 0.00 H +ATOM 14356 H2 WAT 4429 22.349 54.827 4.566 1.00 0.00 H +TER +ATOM 14357 O WAT 4430 30.125 67.131 2.129 1.00 0.00 O +ATOM 14358 H1 WAT 4430 30.015 66.189 2.254 1.00 0.00 H +ATOM 14359 H2 WAT 4430 30.122 67.493 3.015 1.00 0.00 H +TER +ATOM 14360 O WAT 4431 28.229 65.313 8.368 1.00 0.00 O +ATOM 14361 H1 WAT 4431 28.646 65.099 7.534 1.00 0.00 H +ATOM 14362 H2 WAT 4431 28.953 65.570 8.939 1.00 0.00 H +TER +ATOM 14363 O WAT 4432 32.175 63.711 8.460 1.00 0.00 O +ATOM 14364 H1 WAT 4432 31.347 63.781 7.985 1.00 0.00 H +ATOM 14365 H2 WAT 4432 32.770 64.297 7.991 1.00 0.00 H +TER +ATOM 14366 O WAT 4433 29.139 60.498 9.405 1.00 0.00 O +ATOM 14367 H1 WAT 4433 28.727 61.324 9.659 1.00 0.00 H +ATOM 14368 H2 WAT 4433 28.407 59.913 9.213 1.00 0.00 H +TER +ATOM 14369 O WAT 4434 21.273 63.284 4.267 1.00 0.00 O +ATOM 14370 H1 WAT 4434 20.868 62.572 3.772 1.00 0.00 H +ATOM 14371 H2 WAT 4434 21.359 62.940 5.156 1.00 0.00 H +TER +ATOM 14372 O WAT 4435 21.741 66.971 6.431 1.00 0.00 O +ATOM 14373 H1 WAT 4435 21.444 66.366 5.752 1.00 0.00 H +ATOM 14374 H2 WAT 4435 22.691 67.009 6.320 1.00 0.00 H +TER +ATOM 14375 O WAT 4436 19.986 60.059 8.047 1.00 0.00 O +ATOM 14376 H1 WAT 4436 20.537 60.168 7.272 1.00 0.00 H +ATOM 14377 H2 WAT 4436 20.500 60.432 8.763 1.00 0.00 H +TER +ATOM 14378 O WAT 4437 20.833 66.709 13.082 1.00 0.00 O +ATOM 14379 H1 WAT 4437 19.936 66.933 13.329 1.00 0.00 H +ATOM 14380 H2 WAT 4437 20.858 66.833 12.133 1.00 0.00 H +TER +ATOM 14381 O WAT 4438 19.660 63.581 11.658 1.00 0.00 O +ATOM 14382 H1 WAT 4438 19.521 64.453 12.026 1.00 0.00 H +ATOM 14383 H2 WAT 4438 18.778 63.238 11.512 1.00 0.00 H +TER +ATOM 14384 O WAT 4439 15.612 65.350 7.575 1.00 0.00 O +ATOM 14385 H1 WAT 4439 15.690 65.485 6.630 1.00 0.00 H +ATOM 14386 H2 WAT 4439 16.226 64.642 7.767 1.00 0.00 H +TER +ATOM 14387 O WAT 4440 16.856 67.050 3.985 1.00 0.00 O +ATOM 14388 H1 WAT 4440 16.449 67.192 3.131 1.00 0.00 H +ATOM 14389 H2 WAT 4440 17.748 66.766 3.782 1.00 0.00 H +TER +ATOM 14390 O WAT 4441 32.813 67.497 12.323 1.00 0.00 O +ATOM 14391 H1 WAT 4441 32.939 67.258 11.404 1.00 0.00 H +ATOM 14392 H2 WAT 4441 32.855 66.665 12.795 1.00 0.00 H +TER +ATOM 14393 O WAT 4442 32.665 59.550 13.287 1.00 0.00 O +ATOM 14394 H1 WAT 4442 32.050 60.058 12.759 1.00 0.00 H +ATOM 14395 H2 WAT 4442 32.345 58.650 13.230 1.00 0.00 H +TER +ATOM 14396 O WAT 4443 15.668 66.392 10.114 1.00 0.00 O +ATOM 14397 H1 WAT 4443 15.831 65.922 9.296 1.00 0.00 H +ATOM 14398 H2 WAT 4443 16.133 65.884 10.779 1.00 0.00 H +TER +ATOM 14399 O WAT 4444 20.440 55.522 5.150 1.00 0.00 O +ATOM 14400 H1 WAT 4444 19.996 56.303 4.819 1.00 0.00 H +ATOM 14401 H2 WAT 4444 20.998 55.845 5.857 1.00 0.00 H +TER +ATOM 14402 O WAT 4445 24.727 58.389 10.754 1.00 0.00 O +ATOM 14403 H1 WAT 4445 24.264 58.597 11.566 1.00 0.00 H +ATOM 14404 H2 WAT 4445 24.324 57.575 10.451 1.00 0.00 H +TER +ATOM 14405 O WAT 4446 29.727 59.610 11.883 1.00 0.00 O +ATOM 14406 H1 WAT 4446 28.876 59.311 12.204 1.00 0.00 H +ATOM 14407 H2 WAT 4446 29.567 59.854 10.972 1.00 0.00 H +TER +ATOM 14408 O WAT 4447 26.822 61.110 13.983 1.00 0.00 O +ATOM 14409 H1 WAT 4447 27.147 60.277 13.643 1.00 0.00 H +ATOM 14410 H2 WAT 4447 27.610 61.633 14.131 1.00 0.00 H +TER +ATOM 14411 O WAT 4448 22.477 56.067 7.009 1.00 0.00 O +ATOM 14412 H1 WAT 4448 22.774 56.973 6.928 1.00 0.00 H +ATOM 14413 H2 WAT 4448 23.026 55.579 6.395 1.00 0.00 H +TER +ATOM 14414 O WAT 4449 20.231 60.646 2.878 1.00 0.00 O +ATOM 14415 H1 WAT 4449 20.005 60.429 3.783 1.00 0.00 H +ATOM 14416 H2 WAT 4449 19.450 61.078 2.533 1.00 0.00 H +TER +ATOM 14417 O WAT 4450 22.671 61.544 13.544 1.00 0.00 O +ATOM 14418 H1 WAT 4450 22.575 60.604 13.394 1.00 0.00 H +ATOM 14419 H2 WAT 4450 23.514 61.766 13.149 1.00 0.00 H +TER +ATOM 14420 O WAT 4451 26.067 59.288 3.508 1.00 0.00 O +ATOM 14421 H1 WAT 4451 26.460 59.606 2.695 1.00 0.00 H +ATOM 14422 H2 WAT 4451 26.429 58.410 3.622 1.00 0.00 H +TER +ATOM 14423 O WAT 4452 17.802 57.956 11.698 1.00 0.00 O +ATOM 14424 H1 WAT 4452 17.408 58.803 11.905 1.00 0.00 H +ATOM 14425 H2 WAT 4452 17.114 57.318 11.889 1.00 0.00 H +TER +ATOM 14426 O WAT 4453 24.376 58.039 14.767 1.00 0.00 O +ATOM 14427 H1 WAT 4453 23.686 57.846 15.402 1.00 0.00 H +ATOM 14428 H2 WAT 4453 25.120 58.323 15.300 1.00 0.00 H +TER +ATOM 14429 O WAT 4454 15.104 55.878 5.731 1.00 0.00 O +ATOM 14430 H1 WAT 4454 14.815 56.449 6.443 1.00 0.00 H +ATOM 14431 H2 WAT 4454 15.848 55.399 6.094 1.00 0.00 H +TER +ATOM 14432 O WAT 4455 26.653 61.879 7.603 1.00 0.00 O +ATOM 14433 H1 WAT 4455 25.921 62.388 7.952 1.00 0.00 H +ATOM 14434 H2 WAT 4455 26.255 61.062 7.302 1.00 0.00 H +TER +ATOM 14435 O WAT 4456 23.090 58.554 6.008 1.00 0.00 O +ATOM 14436 H1 WAT 4456 23.094 58.113 5.158 1.00 0.00 H +ATOM 14437 H2 WAT 4456 23.986 58.876 6.115 1.00 0.00 H +TER +ATOM 14438 O WAT 4457 18.941 58.437 4.967 1.00 0.00 O +ATOM 14439 H1 WAT 4457 18.601 58.914 5.724 1.00 0.00 H +ATOM 14440 H2 WAT 4457 18.178 57.983 4.608 1.00 0.00 H +TER +ATOM 14441 O WAT 4458 27.115 57.332 7.015 1.00 0.00 O +ATOM 14442 H1 WAT 4458 27.133 57.783 7.859 1.00 0.00 H +ATOM 14443 H2 WAT 4458 26.867 56.433 7.228 1.00 0.00 H +TER +ATOM 14444 O WAT 4459 30.542 54.745 12.854 1.00 0.00 O +ATOM 14445 H1 WAT 4459 30.867 54.014 13.380 1.00 0.00 H +ATOM 14446 H2 WAT 4459 30.578 54.427 11.952 1.00 0.00 H +TER +ATOM 14447 O WAT 4460 17.242 65.767 12.274 1.00 0.00 O +ATOM 14448 H1 WAT 4460 16.857 65.126 12.872 1.00 0.00 H +ATOM 14449 H2 WAT 4460 17.553 66.470 12.843 1.00 0.00 H +TER +ATOM 14450 O WAT 4461 23.391 62.615 7.755 1.00 0.00 O +ATOM 14451 H1 WAT 4461 23.758 62.140 8.501 1.00 0.00 H +ATOM 14452 H2 WAT 4461 23.202 63.489 8.095 1.00 0.00 H +TER +ATOM 14453 O WAT 4462 16.255 57.359 3.884 1.00 0.00 O +ATOM 14454 H1 WAT 4462 15.970 56.994 4.722 1.00 0.00 H +ATOM 14455 H2 WAT 4462 16.193 56.627 3.270 1.00 0.00 H +TER +ATOM 14456 O WAT 4463 21.181 61.655 10.073 1.00 0.00 O +ATOM 14457 H1 WAT 4463 20.877 62.535 10.298 1.00 0.00 H +ATOM 14458 H2 WAT 4463 22.136 61.715 10.109 1.00 0.00 H +TER +ATOM 14459 O WAT 4464 30.468 64.858 6.462 1.00 0.00 O +ATOM 14460 H1 WAT 4464 31.188 65.354 6.072 1.00 0.00 H +ATOM 14461 H2 WAT 4464 30.266 64.180 5.818 1.00 0.00 H +TER +ATOM 14462 O WAT 4465 25.850 64.929 12.349 1.00 0.00 O +ATOM 14463 H1 WAT 4465 25.784 64.008 12.095 1.00 0.00 H +ATOM 14464 H2 WAT 4465 25.221 65.026 13.064 1.00 0.00 H +TER +ATOM 14465 O WAT 4466 19.753 65.530 4.308 1.00 0.00 O +ATOM 14466 H1 WAT 4466 20.271 64.726 4.253 1.00 0.00 H +ATOM 14467 H2 WAT 4466 19.302 65.467 5.149 1.00 0.00 H +TER +ATOM 14468 O WAT 4467 17.238 62.496 11.220 1.00 0.00 O +ATOM 14469 H1 WAT 4467 16.879 63.161 11.807 1.00 0.00 H +ATOM 14470 H2 WAT 4467 16.943 61.664 11.591 1.00 0.00 H +TER +ATOM 14471 O WAT 4468 20.439 62.954 14.104 1.00 0.00 O +ATOM 14472 H1 WAT 4468 20.139 63.100 13.207 1.00 0.00 H +ATOM 14473 H2 WAT 4468 21.210 62.395 14.011 1.00 0.00 H +TER +ATOM 14474 O WAT 4469 25.782 67.751 12.100 1.00 0.00 O +ATOM 14475 H1 WAT 4469 25.796 66.819 11.881 1.00 0.00 H +ATOM 14476 H2 WAT 4469 25.074 67.837 12.739 1.00 0.00 H +TER +ATOM 14477 O WAT 4470 31.993 64.392 11.446 1.00 0.00 O +ATOM 14478 H1 WAT 4470 31.268 64.985 11.249 1.00 0.00 H +ATOM 14479 H2 WAT 4470 32.520 64.384 10.648 1.00 0.00 H +TER +ATOM 14480 O WAT 4471 27.523 66.118 4.945 1.00 0.00 O +ATOM 14481 H1 WAT 4471 27.875 65.521 4.285 1.00 0.00 H +ATOM 14482 H2 WAT 4471 26.639 65.792 5.116 1.00 0.00 H +TER +ATOM 14483 O WAT 4472 23.609 66.877 2.352 1.00 0.00 O +ATOM 14484 H1 WAT 4472 24.296 67.424 2.733 1.00 0.00 H +ATOM 14485 H2 WAT 4472 22.822 67.422 2.387 1.00 0.00 H +TER +ATOM 14486 O WAT 4473 18.813 54.226 2.437 1.00 0.00 O +ATOM 14487 H1 WAT 4473 18.685 54.218 3.385 1.00 0.00 H +ATOM 14488 H2 WAT 4473 17.989 54.564 2.086 1.00 0.00 H +TER +ATOM 14489 O WAT 4474 15.812 55.985 11.897 1.00 0.00 O +ATOM 14490 H1 WAT 4474 15.098 56.185 12.503 1.00 0.00 H +ATOM 14491 H2 WAT 4474 16.232 55.209 12.269 1.00 0.00 H +TER +ATOM 14492 O WAT 4475 27.306 58.477 9.647 1.00 0.00 O +ATOM 14493 H1 WAT 4475 27.674 57.657 9.975 1.00 0.00 H +ATOM 14494 H2 WAT 4475 26.446 58.537 10.063 1.00 0.00 H +TER +ATOM 14495 O WAT 4476 24.267 61.131 9.871 1.00 0.00 O +ATOM 14496 H1 WAT 4476 24.765 61.606 10.536 1.00 0.00 H +ATOM 14497 H2 WAT 4476 24.409 60.208 10.078 1.00 0.00 H +TER +ATOM 14498 O WAT 4477 26.672 56.437 3.312 1.00 0.00 O +ATOM 14499 H1 WAT 4477 26.549 56.455 2.363 1.00 0.00 H +ATOM 14500 H2 WAT 4477 27.621 56.484 3.431 1.00 0.00 H +TER +ATOM 14501 O WAT 4478 31.473 57.348 10.714 1.00 0.00 O +ATOM 14502 H1 WAT 4478 30.971 58.088 11.053 1.00 0.00 H +ATOM 14503 H2 WAT 4478 32.289 57.736 10.398 1.00 0.00 H +TER +ATOM 14504 O WAT 4479 29.765 62.591 4.160 1.00 0.00 O +ATOM 14505 H1 WAT 4479 28.824 62.606 4.335 1.00 0.00 H +ATOM 14506 H2 WAT 4479 30.080 61.805 4.606 1.00 0.00 H +TER +ATOM 14507 O WAT 4480 27.082 67.148 14.643 1.00 0.00 O +ATOM 14508 H1 WAT 4480 26.476 67.171 13.903 1.00 0.00 H +ATOM 14509 H2 WAT 4480 26.777 66.416 15.180 1.00 0.00 H +TER +ATOM 14510 O WAT 4481 15.965 63.527 13.640 1.00 0.00 O +ATOM 14511 H1 WAT 4481 16.469 62.948 14.211 1.00 0.00 H +ATOM 14512 H2 WAT 4481 15.226 63.811 14.177 1.00 0.00 H +TER +ATOM 14513 O WAT 4482 23.019 64.934 13.173 1.00 0.00 O +ATOM 14514 H1 WAT 4482 22.254 65.503 13.089 1.00 0.00 H +ATOM 14515 H2 WAT 4482 23.201 64.642 12.280 1.00 0.00 H +TER +ATOM 14516 O WAT 4483 30.161 66.665 13.731 1.00 0.00 O +ATOM 14517 H1 WAT 4483 30.902 67.002 13.227 1.00 0.00 H +ATOM 14518 H2 WAT 4483 29.399 66.834 13.178 1.00 0.00 H +TER +ATOM 14519 O WAT 4484 17.998 61.670 14.535 1.00 0.00 O +ATOM 14520 H1 WAT 4484 18.038 61.372 15.443 1.00 0.00 H +ATOM 14521 H2 WAT 4484 18.852 62.071 14.375 1.00 0.00 H +TER +ATOM 14522 O WAT 4485 19.938 60.249 12.502 1.00 0.00 O +ATOM 14523 H1 WAT 4485 19.408 59.758 11.874 1.00 0.00 H +ATOM 14524 H2 WAT 4485 20.607 60.678 11.968 1.00 0.00 H +TER +ATOM 14525 O WAT 4486 28.836 64.716 12.266 1.00 0.00 O +ATOM 14526 H1 WAT 4486 29.250 64.871 13.115 1.00 0.00 H +ATOM 14527 H2 WAT 4486 27.901 64.842 12.429 1.00 0.00 H +TER +ATOM 14528 O WAT 4487 29.308 62.056 14.270 1.00 0.00 O +ATOM 14529 H1 WAT 4487 29.890 61.301 14.182 1.00 0.00 H +ATOM 14530 H2 WAT 4487 29.484 62.587 13.493 1.00 0.00 H +TER +ATOM 14531 O WAT 4488 20.425 57.216 12.582 1.00 0.00 O +ATOM 14532 H1 WAT 4488 20.331 56.598 11.857 1.00 0.00 H +ATOM 14533 H2 WAT 4488 19.845 57.942 12.355 1.00 0.00 H +TER +ATOM 14534 O WAT 4489 23.192 55.773 9.614 1.00 0.00 O +ATOM 14535 H1 WAT 4489 22.743 55.795 8.769 1.00 0.00 H +ATOM 14536 H2 WAT 4489 22.558 55.375 10.212 1.00 0.00 H +TER +ATOM 14537 O WAT 4490 23.598 64.668 10.236 1.00 0.00 O +ATOM 14538 H1 WAT 4490 24.016 65.512 10.063 1.00 0.00 H +ATOM 14539 H2 WAT 4490 22.678 64.806 10.006 1.00 0.00 H +TER +ATOM 14540 O WAT 4491 25.934 62.400 11.620 1.00 0.00 O +ATOM 14541 H1 WAT 4491 26.054 61.804 12.359 1.00 0.00 H +ATOM 14542 H2 WAT 4491 26.793 62.437 11.200 1.00 0.00 H +TER +ATOM 14543 O WAT 4492 28.273 62.954 10.196 1.00 0.00 O +ATOM 14544 H1 WAT 4492 27.746 63.478 9.592 1.00 0.00 H +ATOM 14545 H2 WAT 4492 28.616 63.586 10.827 1.00 0.00 H +TER +ATOM 14546 O WAT 4493 22.701 58.942 12.877 1.00 0.00 O +ATOM 14547 H1 WAT 4493 23.291 58.634 13.565 1.00 0.00 H +ATOM 14548 H2 WAT 4493 21.883 58.470 13.033 1.00 0.00 H +TER +ATOM 14549 O WAT 4494 27.520 58.559 13.110 1.00 0.00 O +ATOM 14550 H1 WAT 4494 26.832 57.897 13.045 1.00 0.00 H +ATOM 14551 H2 WAT 4494 28.241 58.113 13.555 1.00 0.00 H +TER +ATOM 14552 O WAT 4495 20.303 67.867 2.574 1.00 0.00 O +ATOM 14553 H1 WAT 4495 20.003 67.744 3.474 1.00 0.00 H +ATOM 14554 H2 WAT 4495 20.197 67.008 2.165 1.00 0.00 H +TER +ATOM 14555 O WAT 4496 16.029 62.915 4.011 1.00 0.00 O +ATOM 14556 H1 WAT 4496 15.374 62.647 3.367 1.00 0.00 H +ATOM 14557 H2 WAT 4496 16.866 62.806 3.561 1.00 0.00 H +TER +ATOM 14558 O WAT 4497 33.534 65.247 4.624 1.00 0.00 O +ATOM 14559 H1 WAT 4497 33.905 64.463 4.218 1.00 0.00 H +ATOM 14560 H2 WAT 4497 34.174 65.935 4.446 1.00 0.00 H +TER +ATOM 14561 O WAT 4498 30.518 66.630 10.037 1.00 0.00 O +ATOM 14562 H1 WAT 4498 29.704 67.060 10.300 1.00 0.00 H +ATOM 14563 H2 WAT 4498 30.925 67.242 9.424 1.00 0.00 H +TER +ATOM 14564 O WAT 4499 17.066 63.301 8.551 1.00 0.00 O +ATOM 14565 H1 WAT 4499 17.434 63.213 9.431 1.00 0.00 H +ATOM 14566 H2 WAT 4499 16.497 62.537 8.452 1.00 0.00 H +TER +ATOM 14567 O WAT 4500 31.867 61.769 11.564 1.00 0.00 O +ATOM 14568 H1 WAT 4500 31.635 61.540 10.664 1.00 0.00 H +ATOM 14569 H2 WAT 4500 32.127 62.689 11.518 1.00 0.00 H +TER +ATOM 14570 O WAT 4501 16.618 60.212 12.457 1.00 0.00 O +ATOM 14571 H1 WAT 4501 15.723 60.178 12.796 1.00 0.00 H +ATOM 14572 H2 WAT 4501 17.158 60.410 13.222 1.00 0.00 H +TER +ATOM 14573 O WAT 4502 30.305 56.995 14.342 1.00 0.00 O +ATOM 14574 H1 WAT 4502 31.183 57.003 14.725 1.00 0.00 H +ATOM 14575 H2 WAT 4502 30.318 56.258 13.731 1.00 0.00 H +TER +ATOM 14576 O WAT 4503 31.752 60.848 5.231 1.00 0.00 O +ATOM 14577 H1 WAT 4503 32.276 60.354 4.600 1.00 0.00 H +ATOM 14578 H2 WAT 4503 32.338 60.983 5.975 1.00 0.00 H +TER +ATOM 14579 O WAT 4504 31.931 60.932 8.753 1.00 0.00 O +ATOM 14580 H1 WAT 4504 30.981 60.898 8.867 1.00 0.00 H +ATOM 14581 H2 WAT 4504 32.112 61.842 8.518 1.00 0.00 H +TER +ATOM 14582 O WAT 4505 17.122 54.486 6.805 1.00 0.00 O +ATOM 14583 H1 WAT 4505 17.769 53.936 6.365 1.00 0.00 H +ATOM 14584 H2 WAT 4505 17.542 54.741 7.627 1.00 0.00 H +TER +ATOM 14585 O WAT 4506 32.671 58.741 3.704 1.00 0.00 O +ATOM 14586 H1 WAT 4506 32.560 58.587 4.642 1.00 0.00 H +ATOM 14587 H2 WAT 4506 33.431 58.213 3.461 1.00 0.00 H +TER +ATOM 14588 O WAT 4507 31.017 54.680 10.162 1.00 0.00 O +ATOM 14589 H1 WAT 4507 31.654 55.294 10.528 1.00 0.00 H +ATOM 14590 H2 WAT 4507 31.165 54.717 9.217 1.00 0.00 H +TER +ATOM 14591 O WAT 4508 16.875 54.642 9.548 1.00 0.00 O +ATOM 14592 H1 WAT 4508 16.527 55.098 10.313 1.00 0.00 H +ATOM 14593 H2 WAT 4508 16.544 53.748 9.630 1.00 0.00 H +TER +ATOM 14594 O WAT 4509 24.388 55.833 13.070 1.00 0.00 O +ATOM 14595 H1 WAT 4509 24.326 56.425 13.819 1.00 0.00 H +ATOM 14596 H2 WAT 4509 25.328 55.726 12.925 1.00 0.00 H +TER +ATOM 14597 O WAT 4510 27.025 55.490 12.709 1.00 0.00 O +ATOM 14598 H1 WAT 4510 27.639 55.808 12.047 1.00 0.00 H +ATOM 14599 H2 WAT 4510 27.570 55.005 13.328 1.00 0.00 H +TER +ATOM 14600 O WAT 4511 17.547 54.170 12.823 1.00 0.00 O +ATOM 14601 H1 WAT 4511 18.095 53.988 12.059 1.00 0.00 H +ATOM 14602 H2 WAT 4511 17.613 53.379 13.358 1.00 0.00 H +TER +ATOM 14603 O WAT 4512 27.766 54.053 9.036 1.00 0.00 O +ATOM 14604 H1 WAT 4512 26.892 54.387 8.833 1.00 0.00 H +ATOM 14605 H2 WAT 4512 27.657 53.581 9.861 1.00 0.00 H +TER +ATOM 14606 O WAT 4513 28.673 56.260 10.420 1.00 0.00 O +ATOM 14607 H1 WAT 4513 28.344 55.446 10.040 1.00 0.00 H +ATOM 14608 H2 WAT 4513 29.621 56.217 10.296 1.00 0.00 H +TER +ATOM 14609 O WAT 4514 25.513 54.970 7.975 1.00 0.00 O +ATOM 14610 H1 WAT 4514 24.730 55.445 8.255 1.00 0.00 H +ATOM 14611 H2 WAT 4514 25.220 54.066 7.866 1.00 0.00 H +TER +ATOM 14612 O WAT 4515 30.065 55.673 6.020 1.00 0.00 O +ATOM 14613 H1 WAT 4515 30.506 55.617 5.172 1.00 0.00 H +ATOM 14614 H2 WAT 4515 29.796 56.588 6.091 1.00 0.00 H +TER +ATOM 14615 O WAT 4516 31.929 55.304 4.031 1.00 0.00 O +ATOM 14616 H1 WAT 4516 31.868 54.360 3.884 1.00 0.00 H +ATOM 14617 H2 WAT 4516 32.708 55.412 4.576 1.00 0.00 H +TER +ATOM 14618 O WAT 4517 23.399 57.389 3.487 1.00 0.00 O +ATOM 14619 H1 WAT 4517 22.586 57.015 3.146 1.00 0.00 H +ATOM 14620 H2 WAT 4517 23.903 56.633 3.789 1.00 0.00 H +TER +ATOM 14621 O WAT 4518 27.901 54.053 4.725 1.00 0.00 O +ATOM 14622 H1 WAT 4518 28.504 54.625 5.200 1.00 0.00 H +ATOM 14623 H2 WAT 4518 27.161 54.617 4.502 1.00 0.00 H +TER +ATOM 14624 O WAT 4519 21.549 54.817 14.526 1.00 0.00 O +ATOM 14625 H1 WAT 4519 21.268 55.321 13.762 1.00 0.00 H +ATOM 14626 H2 WAT 4519 21.931 54.020 14.161 1.00 0.00 H +TER +ATOM 14627 O WAT 4520 28.151 54.233 15.104 1.00 0.00 O +ATOM 14628 H1 WAT 4520 28.037 54.552 16.000 1.00 0.00 H +ATOM 14629 H2 WAT 4520 28.968 54.634 14.808 1.00 0.00 H +TER +ATOM 14630 O WAT 4521 27.057 43.478 60.565 1.00 0.00 O +ATOM 14631 H1 WAT 4521 26.976 42.563 60.294 1.00 0.00 H +ATOM 14632 H2 WAT 4521 26.643 43.974 59.859 1.00 0.00 H +TER +ATOM 14633 O WAT 4522 25.188 45.256 62.446 1.00 0.00 O +ATOM 14634 H1 WAT 4522 24.413 44.776 62.736 1.00 0.00 H +ATOM 14635 H2 WAT 4522 25.840 44.576 62.272 1.00 0.00 H +TER +ATOM 14636 O WAT 4523 19.205 45.568 63.324 1.00 0.00 O +ATOM 14637 H1 WAT 4523 18.373 45.312 63.723 1.00 0.00 H +ATOM 14638 H2 WAT 4523 19.813 45.639 64.060 1.00 0.00 H +TER +ATOM 14639 O WAT 4524 29.209 49.662 61.226 1.00 0.00 O +ATOM 14640 H1 WAT 4524 28.747 48.890 61.555 1.00 0.00 H +ATOM 14641 H2 WAT 4524 30.022 49.688 61.731 1.00 0.00 H +TER +ATOM 14642 O WAT 4525 19.185 49.602 63.520 1.00 0.00 O +ATOM 14643 H1 WAT 4525 19.488 48.711 63.341 1.00 0.00 H +ATOM 14644 H2 WAT 4525 19.929 50.159 63.292 1.00 0.00 H +TER +ATOM 14645 O WAT 4526 17.614 40.528 57.108 1.00 0.00 O +ATOM 14646 H1 WAT 4526 16.726 40.869 57.006 1.00 0.00 H +ATOM 14647 H2 WAT 4526 17.898 40.328 56.216 1.00 0.00 H +TER +ATOM 14648 O WAT 4527 15.577 43.128 62.992 1.00 0.00 O +ATOM 14649 H1 WAT 4527 16.149 42.360 62.992 1.00 0.00 H +ATOM 14650 H2 WAT 4527 15.578 43.427 62.083 1.00 0.00 H +TER +ATOM 14651 O WAT 4528 25.435 51.947 60.847 1.00 0.00 O +ATOM 14652 H1 WAT 4528 24.817 52.403 60.276 1.00 0.00 H +ATOM 14653 H2 WAT 4528 26.291 52.103 60.445 1.00 0.00 H +TER +ATOM 14654 O WAT 4529 24.629 47.931 62.453 1.00 0.00 O +ATOM 14655 H1 WAT 4529 24.560 46.990 62.292 1.00 0.00 H +ATOM 14656 H2 WAT 4529 25.391 48.021 63.025 1.00 0.00 H +TER +ATOM 14657 O WAT 4530 16.820 38.537 64.779 1.00 0.00 O +ATOM 14658 H1 WAT 4530 16.640 37.639 65.059 1.00 0.00 H +ATOM 14659 H2 WAT 4530 16.418 39.084 65.454 1.00 0.00 H +TER +ATOM 14660 O WAT 4531 25.660 40.738 62.680 1.00 0.00 O +ATOM 14661 H1 WAT 4531 26.036 39.865 62.567 1.00 0.00 H +ATOM 14662 H2 WAT 4531 25.562 41.074 61.789 1.00 0.00 H +TER +ATOM 14663 O WAT 4532 19.790 39.111 58.142 1.00 0.00 O +ATOM 14664 H1 WAT 4532 19.897 40.011 58.449 1.00 0.00 H +ATOM 14665 H2 WAT 4532 18.880 39.063 57.851 1.00 0.00 H +TER +ATOM 14666 O WAT 4533 29.442 38.233 59.613 1.00 0.00 O +ATOM 14667 H1 WAT 4533 30.263 37.743 59.655 1.00 0.00 H +ATOM 14668 H2 WAT 4533 29.476 38.823 60.366 1.00 0.00 H +TER +ATOM 14669 O WAT 4534 17.439 41.033 63.387 1.00 0.00 O +ATOM 14670 H1 WAT 4534 18.120 41.297 64.006 1.00 0.00 H +ATOM 14671 H2 WAT 4534 17.123 40.193 63.721 1.00 0.00 H +TER +ATOM 14672 O WAT 4535 21.631 42.079 62.474 1.00 0.00 O +ATOM 14673 H1 WAT 4535 22.139 42.578 63.115 1.00 0.00 H +ATOM 14674 H2 WAT 4535 22.162 41.303 62.298 1.00 0.00 H +TER +ATOM 14675 O WAT 4536 26.302 46.831 58.240 1.00 0.00 O +ATOM 14676 H1 WAT 4536 25.683 47.296 57.676 1.00 0.00 H +ATOM 14677 H2 WAT 4536 26.814 47.524 58.657 1.00 0.00 H +TER +ATOM 14678 O WAT 4537 21.165 46.359 64.918 1.00 0.00 O +ATOM 14679 H1 WAT 4537 20.832 46.986 65.560 1.00 0.00 H +ATOM 14680 H2 WAT 4537 21.342 46.885 64.138 1.00 0.00 H +TER +ATOM 14681 O WAT 4538 29.678 40.173 62.386 1.00 0.00 O +ATOM 14682 H1 WAT 4538 28.974 40.462 62.966 1.00 0.00 H +ATOM 14683 H2 WAT 4538 30.040 40.983 62.026 1.00 0.00 H +TER +ATOM 14684 O WAT 4539 19.596 38.430 64.748 1.00 0.00 O +ATOM 14685 H1 WAT 4539 19.938 39.275 64.453 1.00 0.00 H +ATOM 14686 H2 WAT 4539 18.658 38.579 64.864 1.00 0.00 H +TER +ATOM 14687 O WAT 4540 15.670 47.517 55.614 1.00 0.00 O +ATOM 14688 H1 WAT 4540 15.293 48.006 54.882 1.00 0.00 H +ATOM 14689 H2 WAT 4540 15.927 48.189 56.244 1.00 0.00 H +TER +ATOM 14690 O WAT 4541 31.295 49.791 64.648 1.00 0.00 O +ATOM 14691 H1 WAT 4541 30.611 50.461 64.640 1.00 0.00 H +ATOM 14692 H2 WAT 4541 31.834 49.989 63.883 1.00 0.00 H +TER +ATOM 14693 O WAT 4542 32.747 39.619 62.777 1.00 0.00 O +ATOM 14694 H1 WAT 4542 31.800 39.653 62.908 1.00 0.00 H +ATOM 14695 H2 WAT 4542 33.072 40.433 63.162 1.00 0.00 H +TER +ATOM 14696 O WAT 4543 23.279 35.919 61.072 1.00 0.00 O +ATOM 14697 H1 WAT 4543 23.586 35.363 60.356 1.00 0.00 H +ATOM 14698 H2 WAT 4543 22.349 36.053 60.890 1.00 0.00 H +TER +ATOM 14699 O WAT 4544 28.830 51.635 63.363 1.00 0.00 O +ATOM 14700 H1 WAT 4544 28.843 51.232 62.495 1.00 0.00 H +ATOM 14701 H2 WAT 4544 28.278 52.410 63.259 1.00 0.00 H +TER +ATOM 14702 O WAT 4545 30.125 48.357 58.452 1.00 0.00 O +ATOM 14703 H1 WAT 4545 30.015 47.414 58.577 1.00 0.00 H +ATOM 14704 H2 WAT 4545 30.122 48.718 59.338 1.00 0.00 H +TER +ATOM 14705 O WAT 4546 28.229 46.538 64.691 1.00 0.00 O +ATOM 14706 H1 WAT 4546 28.646 46.324 63.857 1.00 0.00 H +ATOM 14707 H2 WAT 4546 28.953 46.796 65.262 1.00 0.00 H +TER +ATOM 14708 O WAT 4547 25.667 43.983 57.808 1.00 0.00 O +ATOM 14709 H1 WAT 4547 24.740 43.917 58.037 1.00 0.00 H +ATOM 14710 H2 WAT 4547 25.820 44.921 57.694 1.00 0.00 H +TER +ATOM 14711 O WAT 4548 25.654 40.255 54.805 1.00 0.00 O +ATOM 14712 H1 WAT 4548 24.714 40.417 54.890 1.00 0.00 H +ATOM 14713 H2 WAT 4548 25.972 40.974 54.259 1.00 0.00 H +TER +ATOM 14714 O WAT 4549 32.175 44.937 64.783 1.00 0.00 O +ATOM 14715 H1 WAT 4549 31.347 45.006 64.308 1.00 0.00 H +ATOM 14716 H2 WAT 4549 32.770 45.522 64.314 1.00 0.00 H +TER +ATOM 14717 O WAT 4550 29.697 45.545 58.312 1.00 0.00 O +ATOM 14718 H1 WAT 4550 29.078 45.207 57.664 1.00 0.00 H +ATOM 14719 H2 WAT 4550 29.679 44.901 59.020 1.00 0.00 H +TER +ATOM 14720 O WAT 4551 29.139 41.724 65.728 1.00 0.00 O +ATOM 14721 H1 WAT 4551 28.727 42.549 65.982 1.00 0.00 H +ATOM 14722 H2 WAT 4551 28.407 41.138 65.536 1.00 0.00 H +TER +ATOM 14723 O WAT 4552 21.273 44.510 60.590 1.00 0.00 O +ATOM 14724 H1 WAT 4552 20.868 43.798 60.095 1.00 0.00 H +ATOM 14725 H2 WAT 4552 21.359 44.165 61.479 1.00 0.00 H +TER +ATOM 14726 O WAT 4553 21.741 48.197 62.754 1.00 0.00 O +ATOM 14727 H1 WAT 4553 21.444 47.591 62.075 1.00 0.00 H +ATOM 14728 H2 WAT 4553 22.691 48.234 62.643 1.00 0.00 H +TER +ATOM 14729 O WAT 4554 19.986 41.284 64.370 1.00 0.00 O +ATOM 14730 H1 WAT 4554 20.537 41.394 63.595 1.00 0.00 H +ATOM 14731 H2 WAT 4554 20.500 41.658 65.086 1.00 0.00 H +TER +ATOM 14732 O WAT 4555 27.873 44.784 55.319 1.00 0.00 O +ATOM 14733 H1 WAT 4555 28.313 43.946 55.173 1.00 0.00 H +ATOM 14734 H2 WAT 4555 28.586 45.417 55.405 1.00 0.00 H +TER +ATOM 14735 O WAT 4556 25.983 49.724 59.287 1.00 0.00 O +ATOM 14736 H1 WAT 4556 26.422 50.466 58.873 1.00 0.00 H +ATOM 14737 H2 WAT 4556 25.921 49.966 60.211 1.00 0.00 H +TER +ATOM 14738 O WAT 4557 31.455 36.038 53.633 1.00 0.00 O +ATOM 14739 H1 WAT 4557 31.142 36.131 54.533 1.00 0.00 H +ATOM 14740 H2 WAT 4557 32.216 36.617 53.583 1.00 0.00 H +TER +ATOM 14741 O WAT 4558 17.973 43.404 58.091 1.00 0.00 O +ATOM 14742 H1 WAT 4558 17.853 44.131 57.479 1.00 0.00 H +ATOM 14743 H2 WAT 4558 17.663 42.635 57.614 1.00 0.00 H +TER +ATOM 14744 O WAT 4559 15.612 46.576 63.898 1.00 0.00 O +ATOM 14745 H1 WAT 4559 15.690 46.711 62.953 1.00 0.00 H +ATOM 14746 H2 WAT 4559 16.226 45.868 64.091 1.00 0.00 H +TER +ATOM 14747 O WAT 4560 16.856 48.276 60.308 1.00 0.00 O +ATOM 14748 H1 WAT 4560 16.449 48.417 59.454 1.00 0.00 H +ATOM 14749 H2 WAT 4560 17.748 47.992 60.105 1.00 0.00 H +TER +ATOM 14750 O WAT 4561 28.650 52.711 56.643 1.00 0.00 O +ATOM 14751 H1 WAT 4561 28.490 52.421 57.542 1.00 0.00 H +ATOM 14752 H2 WAT 4561 28.484 51.935 56.108 1.00 0.00 H +TER +ATOM 14753 O WAT 4562 21.129 52.491 58.421 1.00 0.00 O +ATOM 14754 H1 WAT 4562 20.953 51.574 58.207 1.00 0.00 H +ATOM 14755 H2 WAT 4562 20.274 52.849 58.660 1.00 0.00 H +TER +ATOM 14756 O WAT 4563 28.352 50.219 55.203 1.00 0.00 O +ATOM 14757 H1 WAT 4563 27.659 50.217 54.543 1.00 0.00 H +ATOM 14758 H2 WAT 4563 29.095 49.795 54.773 1.00 0.00 H +TER +ATOM 14759 O WAT 4564 27.917 51.846 59.278 1.00 0.00 O +ATOM 14760 H1 WAT 4564 28.373 51.065 59.592 1.00 0.00 H +ATOM 14761 H2 WAT 4564 28.257 52.556 59.822 1.00 0.00 H +TER +ATOM 14762 O WAT 4565 20.440 36.748 61.473 1.00 0.00 O +ATOM 14763 H1 WAT 4565 19.996 37.529 61.142 1.00 0.00 H +ATOM 14764 H2 WAT 4565 20.998 37.071 62.180 1.00 0.00 H +TER +ATOM 14765 O WAT 4566 23.555 36.369 56.354 1.00 0.00 O +ATOM 14766 H1 WAT 4566 22.931 36.365 57.079 1.00 0.00 H +ATOM 14767 H2 WAT 4566 23.468 35.502 55.957 1.00 0.00 H +TER +ATOM 14768 O WAT 4567 22.477 37.293 63.332 1.00 0.00 O +ATOM 14769 H1 WAT 4567 22.774 38.199 63.251 1.00 0.00 H +ATOM 14770 H2 WAT 4567 23.026 36.805 62.718 1.00 0.00 H +TER +ATOM 14771 O WAT 4568 20.231 41.871 59.201 1.00 0.00 O +ATOM 14772 H1 WAT 4568 20.005 41.655 60.106 1.00 0.00 H +ATOM 14773 H2 WAT 4568 19.450 42.304 58.856 1.00 0.00 H +TER +ATOM 14774 O WAT 4569 27.461 41.878 57.800 1.00 0.00 O +ATOM 14775 H1 WAT 4569 26.862 42.601 57.617 1.00 0.00 H +ATOM 14776 H2 WAT 4569 28.009 41.815 57.018 1.00 0.00 H +TER +ATOM 14777 O WAT 4570 26.067 40.514 59.831 1.00 0.00 O +ATOM 14778 H1 WAT 4570 26.460 40.831 59.018 1.00 0.00 H +ATOM 14779 H2 WAT 4570 26.429 39.635 59.945 1.00 0.00 H +TER +ATOM 14780 O WAT 4571 15.104 37.104 62.054 1.00 0.00 O +ATOM 14781 H1 WAT 4571 14.815 37.674 62.766 1.00 0.00 H +ATOM 14782 H2 WAT 4571 15.848 36.625 62.417 1.00 0.00 H +TER +ATOM 14783 O WAT 4572 15.291 41.046 53.264 1.00 0.00 O +ATOM 14784 H1 WAT 4572 15.208 41.989 53.406 1.00 0.00 H +ATOM 14785 H2 WAT 4572 14.939 40.904 52.385 1.00 0.00 H +TER +ATOM 14786 O WAT 4573 26.653 43.105 63.926 1.00 0.00 O +ATOM 14787 H1 WAT 4573 25.921 43.613 64.275 1.00 0.00 H +ATOM 14788 H2 WAT 4573 26.255 42.288 63.625 1.00 0.00 H +TER +ATOM 14789 O WAT 4574 23.090 39.780 62.331 1.00 0.00 O +ATOM 14790 H1 WAT 4574 23.094 39.339 61.482 1.00 0.00 H +ATOM 14791 H2 WAT 4574 23.986 40.102 62.438 1.00 0.00 H +TER +ATOM 14792 O WAT 4575 18.941 39.663 61.290 1.00 0.00 O +ATOM 14793 H1 WAT 4575 18.601 40.140 62.047 1.00 0.00 H +ATOM 14794 H2 WAT 4575 18.178 39.209 60.931 1.00 0.00 H +TER +ATOM 14795 O WAT 4576 23.152 40.781 55.322 1.00 0.00 O +ATOM 14796 H1 WAT 4576 23.274 40.740 56.270 1.00 0.00 H +ATOM 14797 H2 WAT 4576 22.767 41.644 55.166 1.00 0.00 H +TER +ATOM 14798 O WAT 4577 27.115 38.558 63.338 1.00 0.00 O +ATOM 14799 H1 WAT 4577 27.133 39.009 64.182 1.00 0.00 H +ATOM 14800 H2 WAT 4577 26.867 37.658 63.551 1.00 0.00 H +TER +ATOM 14801 O WAT 4578 22.165 43.091 54.720 1.00 0.00 O +ATOM 14802 H1 WAT 4578 21.596 42.643 54.094 1.00 0.00 H +ATOM 14803 H2 WAT 4578 22.874 43.451 54.187 1.00 0.00 H +TER +ATOM 14804 O WAT 4579 23.391 43.840 64.078 1.00 0.00 O +ATOM 14805 H1 WAT 4579 23.758 43.366 64.824 1.00 0.00 H +ATOM 14806 H2 WAT 4579 23.202 44.714 64.418 1.00 0.00 H +TER +ATOM 14807 O WAT 4580 16.255 38.585 60.207 1.00 0.00 O +ATOM 14808 H1 WAT 4580 15.970 38.220 61.045 1.00 0.00 H +ATOM 14809 H2 WAT 4580 16.193 37.853 59.593 1.00 0.00 H +TER +ATOM 14810 O WAT 4581 19.709 47.087 56.993 1.00 0.00 O +ATOM 14811 H1 WAT 4581 18.936 46.547 56.833 1.00 0.00 H +ATOM 14812 H2 WAT 4581 20.439 46.568 56.654 1.00 0.00 H +TER +ATOM 14813 O WAT 4582 30.468 46.084 62.785 1.00 0.00 O +ATOM 14814 H1 WAT 4582 31.188 46.579 62.395 1.00 0.00 H +ATOM 14815 H2 WAT 4582 30.266 45.405 62.141 1.00 0.00 H +TER +ATOM 14816 O WAT 4583 25.929 37.477 56.928 1.00 0.00 O +ATOM 14817 H1 WAT 4583 25.116 36.979 56.853 1.00 0.00 H +ATOM 14818 H2 WAT 4583 25.735 38.317 56.512 1.00 0.00 H +TER +ATOM 14819 O WAT 4584 28.644 41.849 55.225 1.00 0.00 O +ATOM 14820 H1 WAT 4584 29.532 42.161 55.050 1.00 0.00 H +ATOM 14821 H2 WAT 4584 28.615 40.977 54.833 1.00 0.00 H +TER +ATOM 14822 O WAT 4585 19.753 46.755 60.631 1.00 0.00 O +ATOM 14823 H1 WAT 4585 20.271 45.952 60.576 1.00 0.00 H +ATOM 14824 H2 WAT 4585 19.302 46.693 61.472 1.00 0.00 H +TER +ATOM 14825 O WAT 4586 24.640 48.022 55.903 1.00 0.00 O +ATOM 14826 H1 WAT 4586 24.982 48.766 55.408 1.00 0.00 H +ATOM 14827 H2 WAT 4586 23.811 48.335 56.266 1.00 0.00 H +TER +ATOM 14828 O WAT 4587 30.915 43.161 54.692 1.00 0.00 O +ATOM 14829 H1 WAT 4587 30.832 43.592 53.842 1.00 0.00 H +ATOM 14830 H2 WAT 4587 31.635 43.620 55.125 1.00 0.00 H +TER +ATOM 14831 O WAT 4588 31.944 50.015 57.421 1.00 0.00 O +ATOM 14832 H1 WAT 4588 31.302 49.360 57.695 1.00 0.00 H +ATOM 14833 H2 WAT 4588 31.557 50.420 56.645 1.00 0.00 H +TER +ATOM 14834 O WAT 4589 27.523 47.343 61.268 1.00 0.00 O +ATOM 14835 H1 WAT 4589 27.875 46.746 60.608 1.00 0.00 H +ATOM 14836 H2 WAT 4589 26.639 47.018 61.439 1.00 0.00 H +TER +ATOM 14837 O WAT 4590 23.609 48.103 58.675 1.00 0.00 O +ATOM 14838 H1 WAT 4590 24.296 48.650 59.056 1.00 0.00 H +ATOM 14839 H2 WAT 4590 22.822 48.647 58.710 1.00 0.00 H +TER +ATOM 14840 O WAT 4591 15.748 43.720 54.167 1.00 0.00 O +ATOM 14841 H1 WAT 4591 16.618 44.003 54.450 1.00 0.00 H +ATOM 14842 H2 WAT 4591 15.257 44.534 54.052 1.00 0.00 H +TER +ATOM 14843 O WAT 4592 22.912 45.108 58.287 1.00 0.00 O +ATOM 14844 H1 WAT 4592 23.368 45.918 58.513 1.00 0.00 H +ATOM 14845 H2 WAT 4592 22.561 44.790 59.119 1.00 0.00 H +TER +ATOM 14846 O WAT 4593 18.813 35.452 58.760 1.00 0.00 O +ATOM 14847 H1 WAT 4593 18.685 35.443 59.708 1.00 0.00 H +ATOM 14848 H2 WAT 4593 17.989 35.790 58.409 1.00 0.00 H +TER +ATOM 14849 O WAT 4594 26.488 48.622 64.234 1.00 0.00 O +ATOM 14850 H1 WAT 4594 27.131 47.921 64.348 1.00 0.00 H +ATOM 14851 H2 WAT 4594 27.013 49.401 64.054 1.00 0.00 H +TER +ATOM 14852 O WAT 4595 30.334 48.906 53.958 1.00 0.00 O +ATOM 14853 H1 WAT 4595 30.108 48.190 54.551 1.00 0.00 H +ATOM 14854 H2 WAT 4595 29.944 48.658 53.121 1.00 0.00 H +TER +ATOM 14855 O WAT 4596 16.116 52.933 54.733 1.00 0.00 O +ATOM 14856 H1 WAT 4596 16.475 53.532 54.079 1.00 0.00 H +ATOM 14857 H2 WAT 4596 15.975 53.479 55.506 1.00 0.00 H +TER +ATOM 14858 O WAT 4597 29.916 46.824 55.620 1.00 0.00 O +ATOM 14859 H1 WAT 4597 29.628 47.285 56.408 1.00 0.00 H +ATOM 14860 H2 WAT 4597 30.711 46.363 55.888 1.00 0.00 H +TER +ATOM 14861 O WAT 4598 22.132 50.316 55.550 1.00 0.00 O +ATOM 14862 H1 WAT 4598 22.123 51.049 54.935 1.00 0.00 H +ATOM 14863 H2 WAT 4598 21.212 50.069 55.643 1.00 0.00 H +TER +ATOM 14864 O WAT 4599 17.733 45.538 56.295 1.00 0.00 O +ATOM 14865 H1 WAT 4599 17.126 46.278 56.304 1.00 0.00 H +ATOM 14866 H2 WAT 4599 18.208 45.628 55.469 1.00 0.00 H +TER +ATOM 14867 O WAT 4600 30.673 38.659 56.779 1.00 0.00 O +ATOM 14868 H1 WAT 4600 30.044 38.763 56.065 1.00 0.00 H +ATOM 14869 H2 WAT 4600 30.178 38.878 57.569 1.00 0.00 H +TER +ATOM 14870 O WAT 4601 25.118 50.379 54.213 1.00 0.00 O +ATOM 14871 H1 WAT 4601 25.220 50.176 53.283 1.00 0.00 H +ATOM 14872 H2 WAT 4601 24.219 50.125 54.417 1.00 0.00 H +TER +ATOM 14873 O WAT 4602 22.641 40.937 58.195 1.00 0.00 O +ATOM 14874 H1 WAT 4602 21.933 41.406 58.636 1.00 0.00 H +ATOM 14875 H2 WAT 4602 22.925 40.279 58.830 1.00 0.00 H +TER +ATOM 14876 O WAT 4603 26.672 37.662 59.635 1.00 0.00 O +ATOM 14877 H1 WAT 4603 26.549 37.681 58.686 1.00 0.00 H +ATOM 14878 H2 WAT 4603 27.621 37.710 59.754 1.00 0.00 H +TER +ATOM 14879 O WAT 4604 23.760 52.898 58.907 1.00 0.00 O +ATOM 14880 H1 WAT 4604 24.014 52.860 57.985 1.00 0.00 H +ATOM 14881 H2 WAT 4604 22.811 52.771 58.900 1.00 0.00 H +TER +ATOM 14882 O WAT 4605 20.844 39.246 55.570 1.00 0.00 O +ATOM 14883 H1 WAT 4605 21.693 39.683 55.504 1.00 0.00 H +ATOM 14884 H2 WAT 4605 20.478 39.558 56.397 1.00 0.00 H +TER +ATOM 14885 O WAT 4606 29.765 43.817 60.483 1.00 0.00 O +ATOM 14886 H1 WAT 4606 28.824 43.832 60.658 1.00 0.00 H +ATOM 14887 H2 WAT 4606 30.080 43.031 60.929 1.00 0.00 H +TER +ATOM 14888 O WAT 4607 19.744 45.499 54.044 1.00 0.00 O +ATOM 14889 H1 WAT 4607 20.510 45.387 54.606 1.00 0.00 H +ATOM 14890 H2 WAT 4607 19.821 44.803 53.391 1.00 0.00 H +TER +ATOM 14891 O WAT 4608 18.438 42.931 54.727 1.00 0.00 O +ATOM 14892 H1 WAT 4608 18.519 41.984 54.839 1.00 0.00 H +ATOM 14893 H2 WAT 4608 19.330 43.262 54.833 1.00 0.00 H +TER +ATOM 14894 O WAT 4609 31.768 50.988 62.159 1.00 0.00 O +ATOM 14895 H1 WAT 4609 31.893 51.811 62.631 1.00 0.00 H +ATOM 14896 H2 WAT 4609 32.635 50.777 61.811 1.00 0.00 H +TER +ATOM 14897 O WAT 4610 19.240 53.081 61.830 1.00 0.00 O +ATOM 14898 H1 WAT 4610 19.976 52.532 62.101 1.00 0.00 H +ATOM 14899 H2 WAT 4610 19.624 53.947 61.691 1.00 0.00 H +TER +ATOM 14900 O WAT 4611 16.124 49.148 57.705 1.00 0.00 O +ATOM 14901 H1 WAT 4611 15.198 49.390 57.695 1.00 0.00 H +ATOM 14902 H2 WAT 4611 16.590 49.976 57.583 1.00 0.00 H +TER +ATOM 14903 O WAT 4612 22.350 52.254 53.653 1.00 0.00 O +ATOM 14904 H1 WAT 4612 23.143 52.543 53.201 1.00 0.00 H +ATOM 14905 H2 WAT 4612 21.830 51.823 52.974 1.00 0.00 H +TER +ATOM 14906 O WAT 4613 31.403 51.481 55.077 1.00 0.00 O +ATOM 14907 H1 WAT 4613 31.117 51.067 54.262 1.00 0.00 H +ATOM 14908 H2 WAT 4613 31.205 52.410 54.957 1.00 0.00 H +TER +ATOM 14909 O WAT 4614 22.868 47.474 53.517 1.00 0.00 O +ATOM 14910 H1 WAT 4614 22.763 46.860 54.243 1.00 0.00 H +ATOM 14911 H2 WAT 4614 22.700 46.951 52.734 1.00 0.00 H +TER +ATOM 14912 O WAT 4615 26.108 46.536 54.121 1.00 0.00 O +ATOM 14913 H1 WAT 4615 25.559 46.983 54.766 1.00 0.00 H +ATOM 14914 H2 WAT 4615 26.730 46.031 54.645 1.00 0.00 H +TER +ATOM 14915 O WAT 4616 21.775 45.495 56.018 1.00 0.00 O +ATOM 14916 H1 WAT 4616 22.197 45.329 56.861 1.00 0.00 H +ATOM 14917 H2 WAT 4616 21.901 44.685 55.523 1.00 0.00 H +TER +ATOM 14918 O WAT 4617 24.288 44.519 53.266 1.00 0.00 O +ATOM 14919 H1 WAT 4617 24.809 43.804 52.900 1.00 0.00 H +ATOM 14920 H2 WAT 4617 24.935 45.158 53.566 1.00 0.00 H +TER +ATOM 14921 O WAT 4618 20.671 41.569 52.964 1.00 0.00 O +ATOM 14922 H1 WAT 4618 20.470 40.705 53.325 1.00 0.00 H +ATOM 14923 H2 WAT 4618 20.501 41.482 52.026 1.00 0.00 H +TER +ATOM 14924 O WAT 4619 28.150 36.380 55.492 1.00 0.00 O +ATOM 14925 H1 WAT 4619 28.430 35.536 55.848 1.00 0.00 H +ATOM 14926 H2 WAT 4619 27.377 36.612 56.006 1.00 0.00 H +TER +ATOM 14927 O WAT 4620 19.470 38.669 52.952 1.00 0.00 O +ATOM 14928 H1 WAT 4620 19.772 38.676 52.043 1.00 0.00 H +ATOM 14929 H2 WAT 4620 20.209 38.319 53.448 1.00 0.00 H +TER +ATOM 14930 O WAT 4621 22.688 37.612 53.937 1.00 0.00 O +ATOM 14931 H1 WAT 4621 22.340 36.935 53.357 1.00 0.00 H +ATOM 14932 H2 WAT 4621 22.889 37.151 54.752 1.00 0.00 H +TER +ATOM 14933 O WAT 4622 24.853 52.600 55.556 1.00 0.00 O +ATOM 14934 H1 WAT 4622 25.748 52.939 55.578 1.00 0.00 H +ATOM 14935 H2 WAT 4622 24.885 51.878 54.928 1.00 0.00 H +TER +ATOM 14936 O WAT 4623 18.493 47.973 53.785 1.00 0.00 O +ATOM 14937 H1 WAT 4623 18.930 48.516 54.440 1.00 0.00 H +ATOM 14938 H2 WAT 4623 18.977 47.148 53.794 1.00 0.00 H +TER +ATOM 14939 O WAT 4624 15.707 50.762 61.237 1.00 0.00 O +ATOM 14940 H1 WAT 4624 16.038 49.894 61.004 1.00 0.00 H +ATOM 14941 H2 WAT 4624 16.136 50.968 62.067 1.00 0.00 H +TER +ATOM 14942 O WAT 4625 20.303 49.093 58.897 1.00 0.00 O +ATOM 14943 H1 WAT 4625 20.003 48.969 59.797 1.00 0.00 H +ATOM 14944 H2 WAT 4625 20.197 48.234 58.488 1.00 0.00 H +TER +ATOM 14945 O WAT 4626 16.196 51.629 63.975 1.00 0.00 O +ATOM 14946 H1 WAT 4626 15.759 51.809 64.807 1.00 0.00 H +ATOM 14947 H2 WAT 4626 16.764 52.386 63.833 1.00 0.00 H +TER +ATOM 14948 O WAT 4627 33.073 48.872 53.599 1.00 0.00 O +ATOM 14949 H1 WAT 4627 32.242 48.940 54.070 1.00 0.00 H +ATOM 14950 H2 WAT 4627 33.250 49.763 53.296 1.00 0.00 H +TER +ATOM 14951 O WAT 4628 32.528 45.617 56.103 1.00 0.00 O +ATOM 14952 H1 WAT 4628 33.290 46.187 56.209 1.00 0.00 H +ATOM 14953 H2 WAT 4628 32.544 45.050 56.874 1.00 0.00 H +TER +ATOM 14954 O WAT 4629 16.029 44.141 60.334 1.00 0.00 O +ATOM 14955 H1 WAT 4629 15.374 43.872 59.690 1.00 0.00 H +ATOM 14956 H2 WAT 4629 16.866 44.031 59.884 1.00 0.00 H +TER +ATOM 14957 O WAT 4630 33.534 46.472 60.947 1.00 0.00 O +ATOM 14958 H1 WAT 4630 33.905 45.689 60.541 1.00 0.00 H +ATOM 14959 H2 WAT 4630 34.174 47.161 60.769 1.00 0.00 H +TER +ATOM 14960 O WAT 4631 32.580 45.911 53.260 1.00 0.00 O +ATOM 14961 H1 WAT 4631 32.855 46.819 53.132 1.00 0.00 H +ATOM 14962 H2 WAT 4631 32.391 45.847 54.196 1.00 0.00 H +TER +ATOM 14963 O WAT 4632 28.978 38.935 54.555 1.00 0.00 O +ATOM 14964 H1 WAT 4632 29.396 38.748 53.715 1.00 0.00 H +ATOM 14965 H2 WAT 4632 28.671 38.083 54.866 1.00 0.00 H +TER +ATOM 14966 O WAT 4633 32.477 43.848 58.253 1.00 0.00 O +ATOM 14967 H1 WAT 4633 32.101 43.080 57.821 1.00 0.00 H +ATOM 14968 H2 WAT 4633 31.747 44.230 58.741 1.00 0.00 H +TER +ATOM 14969 O WAT 4634 17.066 44.526 64.874 1.00 0.00 O +ATOM 14970 H1 WAT 4634 17.434 44.439 65.754 1.00 0.00 H +ATOM 14971 H2 WAT 4634 16.497 43.763 64.775 1.00 0.00 H +TER +ATOM 14972 O WAT 4635 15.243 41.351 56.276 1.00 0.00 O +ATOM 14973 H1 WAT 4635 14.339 41.614 56.101 1.00 0.00 H +ATOM 14974 H2 WAT 4635 15.727 41.622 55.496 1.00 0.00 H +TER +ATOM 14975 O WAT 4636 31.752 42.073 61.554 1.00 0.00 O +ATOM 14976 H1 WAT 4636 32.276 41.580 60.923 1.00 0.00 H +ATOM 14977 H2 WAT 4636 32.338 42.208 62.299 1.00 0.00 H +TER +ATOM 14978 O WAT 4637 31.931 42.157 65.076 1.00 0.00 O +ATOM 14979 H1 WAT 4637 30.981 42.124 65.190 1.00 0.00 H +ATOM 14980 H2 WAT 4637 32.112 43.067 64.841 1.00 0.00 H +TER +ATOM 14981 O WAT 4638 17.785 40.407 54.186 1.00 0.00 O +ATOM 14982 H1 WAT 4638 18.494 39.986 53.700 1.00 0.00 H +ATOM 14983 H2 WAT 4638 17.069 40.475 53.554 1.00 0.00 H +TER +ATOM 14984 O WAT 4639 17.433 36.461 53.226 1.00 0.00 O +ATOM 14985 H1 WAT 4639 18.155 37.002 53.544 1.00 0.00 H +ATOM 14986 H2 WAT 4639 17.705 36.188 52.350 1.00 0.00 H +TER +ATOM 14987 O WAT 4640 31.242 41.331 57.493 1.00 0.00 O +ATOM 14988 H1 WAT 4640 31.738 41.098 58.278 1.00 0.00 H +ATOM 14989 H2 WAT 4640 31.043 40.492 57.077 1.00 0.00 H +TER +ATOM 14990 O WAT 4641 17.122 35.712 63.128 1.00 0.00 O +ATOM 14991 H1 WAT 4641 17.769 35.162 62.688 1.00 0.00 H +ATOM 14992 H2 WAT 4641 17.542 35.966 63.950 1.00 0.00 H +TER +ATOM 14993 O WAT 4642 32.671 39.967 60.027 1.00 0.00 O +ATOM 14994 H1 WAT 4642 32.560 39.812 60.965 1.00 0.00 H +ATOM 14995 H2 WAT 4642 33.431 39.439 59.784 1.00 0.00 H +TER +ATOM 14996 O WAT 4643 33.560 37.798 53.267 1.00 0.00 O +ATOM 14997 H1 WAT 4643 34.484 37.666 53.059 1.00 0.00 H +ATOM 14998 H2 WAT 4643 33.537 37.877 54.221 1.00 0.00 H +TER +ATOM 14999 O WAT 4644 33.633 38.569 55.893 1.00 0.00 O +ATOM 15000 H1 WAT 4644 32.839 38.503 56.422 1.00 0.00 H +ATOM 15001 H2 WAT 4644 33.838 39.504 55.882 1.00 0.00 H +TER +ATOM 15002 O WAT 4645 30.575 52.608 59.887 1.00 0.00 O +ATOM 15003 H1 WAT 4645 31.171 52.286 59.210 1.00 0.00 H +ATOM 15004 H2 WAT 4645 30.833 52.135 60.678 1.00 0.00 H +TER +ATOM 15005 O WAT 4646 22.182 50.595 65.637 1.00 0.00 O +ATOM 15006 H1 WAT 4646 21.941 50.863 64.750 1.00 0.00 H +ATOM 15007 H2 WAT 4646 23.122 50.766 65.692 1.00 0.00 H +TER +ATOM 15008 O WAT 4647 31.126 53.257 63.717 1.00 0.00 O +ATOM 15009 H1 WAT 4647 30.667 54.009 63.342 1.00 0.00 H +ATOM 15010 H2 WAT 4647 30.498 52.538 63.658 1.00 0.00 H +TER +ATOM 15011 O WAT 4648 21.556 51.566 62.891 1.00 0.00 O +ATOM 15012 H1 WAT 4648 22.073 50.955 62.366 1.00 0.00 H +ATOM 15013 H2 WAT 4648 22.206 52.069 63.383 1.00 0.00 H +TER +ATOM 15014 O WAT 4649 24.296 52.457 63.718 1.00 0.00 O +ATOM 15015 H1 WAT 4649 24.583 52.202 62.842 1.00 0.00 H +ATOM 15016 H2 WAT 4649 24.808 51.905 64.309 1.00 0.00 H +TER +ATOM 15017 O WAT 4650 25.513 36.196 64.298 1.00 0.00 O +ATOM 15018 H1 WAT 4650 24.730 36.671 64.578 1.00 0.00 H +ATOM 15019 H2 WAT 4650 25.220 35.291 64.189 1.00 0.00 H +TER +ATOM 15020 O WAT 4651 30.065 36.898 62.343 1.00 0.00 O +ATOM 15021 H1 WAT 4651 30.506 36.843 61.495 1.00 0.00 H +ATOM 15022 H2 WAT 4651 29.796 37.814 62.414 1.00 0.00 H +TER +ATOM 15023 O WAT 4652 31.929 36.530 60.354 1.00 0.00 O +ATOM 15024 H1 WAT 4652 31.868 35.586 60.207 1.00 0.00 H +ATOM 15025 H2 WAT 4652 32.708 36.638 60.899 1.00 0.00 H +TER +ATOM 15026 O WAT 4653 16.235 52.669 59.316 1.00 0.00 O +ATOM 15027 H1 WAT 4653 16.067 52.036 60.014 1.00 0.00 H +ATOM 15028 H2 WAT 4653 15.368 52.875 58.966 1.00 0.00 H +TER +ATOM 15029 O WAT 4654 16.857 36.501 56.819 1.00 0.00 O +ATOM 15030 H1 WAT 4654 17.615 36.614 56.246 1.00 0.00 H +ATOM 15031 H2 WAT 4654 16.395 37.338 56.774 1.00 0.00 H +TER +ATOM 15032 O WAT 4655 23.399 38.615 59.810 1.00 0.00 O +ATOM 15033 H1 WAT 4655 22.586 38.240 59.469 1.00 0.00 H +ATOM 15034 H2 WAT 4655 23.903 37.859 60.112 1.00 0.00 H +TER +ATOM 15035 O WAT 4656 27.901 35.279 61.048 1.00 0.00 O +ATOM 15036 H1 WAT 4656 28.504 35.851 61.523 1.00 0.00 H +ATOM 15037 H2 WAT 4656 27.161 35.843 60.825 1.00 0.00 H +TER +ATOM 15038 O WAT 4657 31.045 35.681 56.322 1.00 0.00 O +ATOM 15039 H1 WAT 4657 31.240 36.579 56.589 1.00 0.00 H +ATOM 15040 H2 WAT 4657 30.258 35.450 56.815 1.00 0.00 H +TER +ATOM 15041 O WAT 4658 17.841 51.362 56.761 1.00 0.00 O +ATOM 15042 H1 WAT 4658 17.316 51.743 56.057 1.00 0.00 H +ATOM 15043 H2 WAT 4658 17.765 51.987 57.482 1.00 0.00 H +TER +ATOM 15044 O WAT 4659 19.230 37.027 55.360 1.00 0.00 O +ATOM 15045 H1 WAT 4659 19.759 36.240 55.230 1.00 0.00 H +ATOM 15046 H2 WAT 4659 19.863 37.706 55.593 1.00 0.00 H +TER +ATOM 15047 O WAT 4660 21.424 36.765 58.414 1.00 0.00 O +ATOM 15048 H1 WAT 4660 20.794 36.063 58.581 1.00 0.00 H +ATOM 15049 H2 WAT 4660 20.884 37.525 58.197 1.00 0.00 H +TER +ATOM 15050 O WAT 4661 32.597 52.921 58.083 1.00 0.00 O +ATOM 15051 H1 WAT 4661 32.773 52.235 57.439 1.00 0.00 H +ATOM 15052 H2 WAT 4661 31.899 53.446 57.690 1.00 0.00 H +TER +ATOM 15053 O WAT 4662 20.440 53.311 55.636 1.00 0.00 O +ATOM 15054 H1 WAT 4662 21.172 53.027 55.089 1.00 0.00 H +ATOM 15055 H2 WAT 4662 20.699 53.072 56.526 1.00 0.00 H +TER +ATOM 15056 O WAT 4663 19.602 49.427 55.641 1.00 0.00 O +ATOM 15057 H1 WAT 4663 18.972 49.896 56.189 1.00 0.00 H +ATOM 15058 H2 WAT 4663 19.716 48.582 56.075 1.00 0.00 H +TER +ATOM 15059 O WAT 4664 19.205 45.568 44.549 1.00 0.00 O +ATOM 15060 H1 WAT 4664 18.373 45.312 44.949 1.00 0.00 H +ATOM 15061 H2 WAT 4664 19.813 45.639 45.285 1.00 0.00 H +TER +ATOM 15062 O WAT 4665 29.209 49.662 42.452 1.00 0.00 O +ATOM 15063 H1 WAT 4665 28.747 48.890 42.780 1.00 0.00 H +ATOM 15064 H2 WAT 4665 30.022 49.688 42.957 1.00 0.00 H +TER +ATOM 15065 O WAT 4666 19.185 49.602 44.745 1.00 0.00 O +ATOM 15066 H1 WAT 4666 19.488 48.711 44.566 1.00 0.00 H +ATOM 15067 H2 WAT 4666 19.929 50.159 44.517 1.00 0.00 H +TER +ATOM 15068 O WAT 4667 17.614 40.528 38.334 1.00 0.00 O +ATOM 15069 H1 WAT 4667 16.726 40.869 38.232 1.00 0.00 H +ATOM 15070 H2 WAT 4667 17.898 40.328 37.442 1.00 0.00 H +TER +ATOM 15071 O WAT 4668 15.577 43.128 44.218 1.00 0.00 O +ATOM 15072 H1 WAT 4668 16.149 42.360 44.218 1.00 0.00 H +ATOM 15073 H2 WAT 4668 15.578 43.427 43.308 1.00 0.00 H +TER +ATOM 15074 O WAT 4669 25.435 51.947 42.072 1.00 0.00 O +ATOM 15075 H1 WAT 4669 24.817 52.403 41.502 1.00 0.00 H +ATOM 15076 H2 WAT 4669 26.291 52.103 41.671 1.00 0.00 H +TER +ATOM 15077 O WAT 4670 24.629 47.931 43.679 1.00 0.00 O +ATOM 15078 H1 WAT 4670 24.560 46.990 43.518 1.00 0.00 H +ATOM 15079 H2 WAT 4670 25.391 48.021 44.251 1.00 0.00 H +TER +ATOM 15080 O WAT 4671 16.820 38.537 46.005 1.00 0.00 O +ATOM 15081 H1 WAT 4671 16.640 37.639 46.285 1.00 0.00 H +ATOM 15082 H2 WAT 4671 16.418 39.084 46.679 1.00 0.00 H +TER +ATOM 15083 O WAT 4672 17.439 41.033 44.613 1.00 0.00 O +ATOM 15084 H1 WAT 4672 18.120 41.297 45.231 1.00 0.00 H +ATOM 15085 H2 WAT 4672 17.123 40.193 44.947 1.00 0.00 H +TER +ATOM 15086 O WAT 4673 33.732 40.250 47.403 1.00 0.00 O +ATOM 15087 H1 WAT 4673 33.027 40.638 46.884 1.00 0.00 H +ATOM 15088 H2 WAT 4673 33.998 40.945 48.005 1.00 0.00 H +TER +ATOM 15089 O WAT 4674 19.915 36.719 47.966 1.00 0.00 O +ATOM 15090 H1 WAT 4674 19.916 37.237 47.161 1.00 0.00 H +ATOM 15091 H2 WAT 4674 19.085 36.242 47.943 1.00 0.00 H +TER +ATOM 15092 O WAT 4675 21.165 46.359 46.144 1.00 0.00 O +ATOM 15093 H1 WAT 4675 20.832 46.986 46.786 1.00 0.00 H +ATOM 15094 H2 WAT 4675 21.342 46.885 45.364 1.00 0.00 H +TER +ATOM 15095 O WAT 4676 19.596 38.430 45.973 1.00 0.00 O +ATOM 15096 H1 WAT 4676 19.938 39.275 45.679 1.00 0.00 H +ATOM 15097 H2 WAT 4676 18.658 38.579 46.090 1.00 0.00 H +TER +ATOM 15098 O WAT 4677 20.377 48.327 47.959 1.00 0.00 O +ATOM 15099 H1 WAT 4677 20.994 49.002 47.677 1.00 0.00 H +ATOM 15100 H2 WAT 4677 19.516 48.736 47.867 1.00 0.00 H +TER +ATOM 15101 O WAT 4678 15.670 47.517 36.839 1.00 0.00 O +ATOM 15102 H1 WAT 4678 15.293 48.006 36.108 1.00 0.00 H +ATOM 15103 H2 WAT 4678 15.927 48.189 37.470 1.00 0.00 H +TER +ATOM 15104 O WAT 4679 31.295 49.791 45.874 1.00 0.00 O +ATOM 15105 H1 WAT 4679 30.611 50.461 45.866 1.00 0.00 H +ATOM 15106 H2 WAT 4679 31.834 49.989 45.109 1.00 0.00 H +TER +ATOM 15107 O WAT 4680 28.830 51.635 44.589 1.00 0.00 O +ATOM 15108 H1 WAT 4680 28.843 51.232 43.721 1.00 0.00 H +ATOM 15109 H2 WAT 4680 28.278 52.410 44.485 1.00 0.00 H +TER +ATOM 15110 O WAT 4681 29.139 41.724 46.954 1.00 0.00 O +ATOM 15111 H1 WAT 4681 28.727 42.549 47.208 1.00 0.00 H +ATOM 15112 H2 WAT 4681 28.407 41.138 46.762 1.00 0.00 H +TER +ATOM 15113 O WAT 4682 21.273 44.510 41.816 1.00 0.00 O +ATOM 15114 H1 WAT 4682 20.868 43.798 41.320 1.00 0.00 H +ATOM 15115 H2 WAT 4682 21.359 44.165 42.705 1.00 0.00 H +TER +ATOM 15116 O WAT 4683 21.741 48.197 43.980 1.00 0.00 O +ATOM 15117 H1 WAT 4683 21.444 47.591 43.301 1.00 0.00 H +ATOM 15118 H2 WAT 4683 22.691 48.234 43.869 1.00 0.00 H +TER +ATOM 15119 O WAT 4684 19.986 41.284 45.596 1.00 0.00 O +ATOM 15120 H1 WAT 4684 20.537 41.394 44.821 1.00 0.00 H +ATOM 15121 H2 WAT 4684 20.500 41.658 46.311 1.00 0.00 H +TER +ATOM 15122 O WAT 4685 29.829 51.770 47.642 1.00 0.00 O +ATOM 15123 H1 WAT 4685 29.352 52.577 47.449 1.00 0.00 H +ATOM 15124 H2 WAT 4685 29.146 51.118 47.795 1.00 0.00 H +TER +ATOM 15125 O WAT 4686 20.833 47.935 50.631 1.00 0.00 O +ATOM 15126 H1 WAT 4686 19.936 48.159 50.878 1.00 0.00 H +ATOM 15127 H2 WAT 4686 20.858 48.058 49.682 1.00 0.00 H +TER +ATOM 15128 O WAT 4687 19.660 44.806 49.206 1.00 0.00 O +ATOM 15129 H1 WAT 4687 19.521 45.678 49.575 1.00 0.00 H +ATOM 15130 H2 WAT 4687 18.778 44.463 49.061 1.00 0.00 H +TER +ATOM 15131 O WAT 4688 25.983 49.724 40.513 1.00 0.00 O +ATOM 15132 H1 WAT 4688 26.422 50.466 40.098 1.00 0.00 H +ATOM 15133 H2 WAT 4688 25.921 49.966 41.437 1.00 0.00 H +TER +ATOM 15134 O WAT 4689 21.458 50.748 51.415 1.00 0.00 O +ATOM 15135 H1 WAT 4689 21.429 51.153 50.548 1.00 0.00 H +ATOM 15136 H2 WAT 4689 21.294 49.819 51.252 1.00 0.00 H +TER +ATOM 15137 O WAT 4690 17.973 43.404 39.317 1.00 0.00 O +ATOM 15138 H1 WAT 4690 17.853 44.131 38.705 1.00 0.00 H +ATOM 15139 H2 WAT 4690 17.663 42.635 38.839 1.00 0.00 H +TER +ATOM 15140 O WAT 4691 33.409 51.531 52.711 1.00 0.00 O +ATOM 15141 H1 WAT 4691 33.885 52.009 53.390 1.00 0.00 H +ATOM 15142 H2 WAT 4691 34.030 51.463 51.986 1.00 0.00 H +TER +ATOM 15143 O WAT 4692 15.612 46.576 45.123 1.00 0.00 O +ATOM 15144 H1 WAT 4692 15.690 46.711 44.179 1.00 0.00 H +ATOM 15145 H2 WAT 4692 16.226 45.868 45.316 1.00 0.00 H +TER +ATOM 15146 O WAT 4693 16.856 48.276 41.534 1.00 0.00 O +ATOM 15147 H1 WAT 4693 16.449 48.417 40.679 1.00 0.00 H +ATOM 15148 H2 WAT 4693 17.748 47.992 41.331 1.00 0.00 H +TER +ATOM 15149 O WAT 4694 32.813 48.722 49.871 1.00 0.00 O +ATOM 15150 H1 WAT 4694 32.939 48.484 48.953 1.00 0.00 H +ATOM 15151 H2 WAT 4694 32.855 47.891 50.343 1.00 0.00 H +TER +ATOM 15152 O WAT 4695 26.674 52.425 48.441 1.00 0.00 O +ATOM 15153 H1 WAT 4695 27.189 52.336 49.243 1.00 0.00 H +ATOM 15154 H2 WAT 4695 25.831 52.771 48.733 1.00 0.00 H +TER +ATOM 15155 O WAT 4696 28.650 52.711 37.869 1.00 0.00 O +ATOM 15156 H1 WAT 4696 28.490 52.421 38.767 1.00 0.00 H +ATOM 15157 H2 WAT 4696 28.484 51.935 37.334 1.00 0.00 H +TER +ATOM 15158 O WAT 4697 21.129 52.491 39.646 1.00 0.00 O +ATOM 15159 H1 WAT 4697 20.953 51.574 39.433 1.00 0.00 H +ATOM 15160 H2 WAT 4697 20.274 52.849 39.886 1.00 0.00 H +TER +ATOM 15161 O WAT 4698 27.917 51.846 40.504 1.00 0.00 O +ATOM 15162 H1 WAT 4698 28.373 51.065 40.818 1.00 0.00 H +ATOM 15163 H2 WAT 4698 28.257 52.556 41.048 1.00 0.00 H +TER +ATOM 15164 O WAT 4699 32.665 40.776 50.836 1.00 0.00 O +ATOM 15165 H1 WAT 4699 32.050 41.284 50.308 1.00 0.00 H +ATOM 15166 H2 WAT 4699 32.345 39.875 50.779 1.00 0.00 H +TER +ATOM 15167 O WAT 4700 15.668 47.617 47.663 1.00 0.00 O +ATOM 15168 H1 WAT 4700 15.831 47.148 46.845 1.00 0.00 H +ATOM 15169 H2 WAT 4700 16.133 47.110 48.328 1.00 0.00 H +TER +ATOM 15170 O WAT 4701 24.727 39.615 48.302 1.00 0.00 O +ATOM 15171 H1 WAT 4701 24.264 39.823 49.114 1.00 0.00 H +ATOM 15172 H2 WAT 4701 24.324 38.801 47.999 1.00 0.00 H +TER +ATOM 15173 O WAT 4702 29.727 40.836 49.432 1.00 0.00 O +ATOM 15174 H1 WAT 4702 28.876 40.536 49.753 1.00 0.00 H +ATOM 15175 H2 WAT 4702 29.567 41.080 48.520 1.00 0.00 H +TER +ATOM 15176 O WAT 4703 26.822 42.336 51.532 1.00 0.00 O +ATOM 15177 H1 WAT 4703 27.147 41.502 51.192 1.00 0.00 H +ATOM 15178 H2 WAT 4703 27.610 42.859 51.680 1.00 0.00 H +TER +ATOM 15179 O WAT 4704 20.231 41.871 40.427 1.00 0.00 O +ATOM 15180 H1 WAT 4704 20.005 41.655 41.332 1.00 0.00 H +ATOM 15181 H2 WAT 4704 19.450 42.304 40.082 1.00 0.00 H +TER +ATOM 15182 O WAT 4705 22.671 42.770 51.093 1.00 0.00 O +ATOM 15183 H1 WAT 4705 22.575 41.829 50.943 1.00 0.00 H +ATOM 15184 H2 WAT 4705 23.514 42.991 50.698 1.00 0.00 H +TER +ATOM 15185 O WAT 4706 17.802 39.181 49.246 1.00 0.00 O +ATOM 15186 H1 WAT 4706 17.408 40.029 49.454 1.00 0.00 H +ATOM 15187 H2 WAT 4706 17.114 38.544 49.437 1.00 0.00 H +TER +ATOM 15188 O WAT 4707 24.376 39.265 52.316 1.00 0.00 O +ATOM 15189 H1 WAT 4707 23.686 39.072 52.951 1.00 0.00 H +ATOM 15190 H2 WAT 4707 25.120 39.548 52.849 1.00 0.00 H +TER +ATOM 15191 O WAT 4708 15.104 37.104 43.279 1.00 0.00 O +ATOM 15192 H1 WAT 4708 14.815 37.674 43.992 1.00 0.00 H +ATOM 15193 H2 WAT 4708 15.848 36.625 43.643 1.00 0.00 H +TER +ATOM 15194 O WAT 4709 18.941 39.663 42.516 1.00 0.00 O +ATOM 15195 H1 WAT 4709 18.601 40.140 43.273 1.00 0.00 H +ATOM 15196 H2 WAT 4709 18.178 39.209 42.156 1.00 0.00 H +TER +ATOM 15197 O WAT 4710 30.542 35.971 50.402 1.00 0.00 O +ATOM 15198 H1 WAT 4710 30.867 35.240 50.928 1.00 0.00 H +ATOM 15199 H2 WAT 4710 30.578 35.653 49.501 1.00 0.00 H +TER +ATOM 15200 O WAT 4711 17.242 46.993 49.822 1.00 0.00 O +ATOM 15201 H1 WAT 4711 16.857 46.352 50.421 1.00 0.00 H +ATOM 15202 H2 WAT 4711 17.553 47.696 50.392 1.00 0.00 H +TER +ATOM 15203 O WAT 4712 23.391 43.840 45.303 1.00 0.00 O +ATOM 15204 H1 WAT 4712 23.758 43.366 46.049 1.00 0.00 H +ATOM 15205 H2 WAT 4712 23.202 44.714 45.644 1.00 0.00 H +TER +ATOM 15206 O WAT 4713 16.255 38.585 41.433 1.00 0.00 O +ATOM 15207 H1 WAT 4713 15.970 38.220 42.270 1.00 0.00 H +ATOM 15208 H2 WAT 4713 16.193 37.853 40.819 1.00 0.00 H +TER +ATOM 15209 O WAT 4714 21.181 42.881 47.622 1.00 0.00 O +ATOM 15210 H1 WAT 4714 20.877 43.760 47.847 1.00 0.00 H +ATOM 15211 H2 WAT 4714 22.136 42.941 47.657 1.00 0.00 H +TER +ATOM 15212 O WAT 4715 19.709 47.087 38.218 1.00 0.00 O +ATOM 15213 H1 WAT 4715 18.936 46.547 38.058 1.00 0.00 H +ATOM 15214 H2 WAT 4715 20.439 46.568 37.880 1.00 0.00 H +TER +ATOM 15215 O WAT 4716 25.850 46.155 49.898 1.00 0.00 O +ATOM 15216 H1 WAT 4716 25.784 45.234 49.644 1.00 0.00 H +ATOM 15217 H2 WAT 4716 25.221 46.252 50.612 1.00 0.00 H +TER +ATOM 15218 O WAT 4717 19.753 46.755 41.856 1.00 0.00 O +ATOM 15219 H1 WAT 4717 20.271 45.952 41.802 1.00 0.00 H +ATOM 15220 H2 WAT 4717 19.302 46.693 42.698 1.00 0.00 H +TER +ATOM 15221 O WAT 4718 17.238 43.721 48.769 1.00 0.00 O +ATOM 15222 H1 WAT 4718 16.879 44.387 49.356 1.00 0.00 H +ATOM 15223 H2 WAT 4718 16.943 42.890 49.140 1.00 0.00 H +TER +ATOM 15224 O WAT 4719 20.439 44.180 51.653 1.00 0.00 O +ATOM 15225 H1 WAT 4719 20.139 44.325 50.756 1.00 0.00 H +ATOM 15226 H2 WAT 4719 21.210 43.620 51.560 1.00 0.00 H +TER +ATOM 15227 O WAT 4720 25.782 48.977 49.648 1.00 0.00 O +ATOM 15228 H1 WAT 4720 25.796 48.045 49.430 1.00 0.00 H +ATOM 15229 H2 WAT 4720 25.074 49.063 50.287 1.00 0.00 H +TER +ATOM 15230 O WAT 4721 31.993 45.617 48.995 1.00 0.00 O +ATOM 15231 H1 WAT 4721 31.268 46.210 48.798 1.00 0.00 H +ATOM 15232 H2 WAT 4721 32.520 45.610 48.196 1.00 0.00 H +TER +ATOM 15233 O WAT 4722 31.944 50.015 38.646 1.00 0.00 O +ATOM 15234 H1 WAT 4722 31.302 49.360 38.921 1.00 0.00 H +ATOM 15235 H2 WAT 4722 31.557 50.420 37.870 1.00 0.00 H +TER +ATOM 15236 O WAT 4723 25.215 50.618 46.742 1.00 0.00 O +ATOM 15237 H1 WAT 4723 25.859 50.824 47.420 1.00 0.00 H +ATOM 15238 H2 WAT 4723 25.578 49.857 46.289 1.00 0.00 H +TER +ATOM 15239 O WAT 4724 26.488 48.622 45.460 1.00 0.00 O +ATOM 15240 H1 WAT 4724 27.131 47.921 45.573 1.00 0.00 H +ATOM 15241 H2 WAT 4724 27.013 49.401 45.280 1.00 0.00 H +TER +ATOM 15242 O WAT 4725 28.262 49.421 48.664 1.00 0.00 O +ATOM 15243 H1 WAT 4725 28.598 50.008 49.341 1.00 0.00 H +ATOM 15244 H2 WAT 4725 27.342 49.290 48.893 1.00 0.00 H +TER +ATOM 15245 O WAT 4726 16.116 52.933 35.958 1.00 0.00 O +ATOM 15246 H1 WAT 4726 16.475 53.532 35.304 1.00 0.00 H +ATOM 15247 H2 WAT 4726 15.975 53.479 36.732 1.00 0.00 H +TER +ATOM 15248 O WAT 4727 15.812 37.211 49.446 1.00 0.00 O +ATOM 15249 H1 WAT 4727 15.098 37.410 50.051 1.00 0.00 H +ATOM 15250 H2 WAT 4727 16.232 36.435 49.818 1.00 0.00 H +TER +ATOM 15251 O WAT 4728 16.100 51.199 50.433 1.00 0.00 O +ATOM 15252 H1 WAT 4728 16.209 50.258 50.292 1.00 0.00 H +ATOM 15253 H2 WAT 4728 15.448 51.464 49.784 1.00 0.00 H +TER +ATOM 15254 O WAT 4729 24.091 49.470 51.832 1.00 0.00 O +ATOM 15255 H1 WAT 4729 23.771 48.751 52.377 1.00 0.00 H +ATOM 15256 H2 WAT 4729 23.417 50.146 51.906 1.00 0.00 H +TER +ATOM 15257 O WAT 4730 17.733 45.538 37.520 1.00 0.00 O +ATOM 15258 H1 WAT 4730 17.126 46.278 37.530 1.00 0.00 H +ATOM 15259 H2 WAT 4730 18.208 45.628 36.694 1.00 0.00 H +TER +ATOM 15260 O WAT 4731 27.306 39.703 47.196 1.00 0.00 O +ATOM 15261 H1 WAT 4731 27.674 38.882 47.524 1.00 0.00 H +ATOM 15262 H2 WAT 4731 26.446 39.763 47.612 1.00 0.00 H +TER +ATOM 15263 O WAT 4732 24.267 42.357 47.420 1.00 0.00 O +ATOM 15264 H1 WAT 4732 24.765 42.831 48.085 1.00 0.00 H +ATOM 15265 H2 WAT 4732 24.409 41.433 47.627 1.00 0.00 H +TER +ATOM 15266 O WAT 4733 23.760 52.898 40.133 1.00 0.00 O +ATOM 15267 H1 WAT 4733 24.014 52.860 39.211 1.00 0.00 H +ATOM 15268 H2 WAT 4733 22.811 52.771 40.126 1.00 0.00 H +TER +ATOM 15269 O WAT 4734 31.473 38.574 48.263 1.00 0.00 O +ATOM 15270 H1 WAT 4734 30.971 39.314 48.602 1.00 0.00 H +ATOM 15271 H2 WAT 4734 32.289 38.962 47.946 1.00 0.00 H +TER +ATOM 15272 O WAT 4735 31.768 50.988 43.384 1.00 0.00 O +ATOM 15273 H1 WAT 4735 31.893 51.811 43.857 1.00 0.00 H +ATOM 15274 H2 WAT 4735 32.635 50.777 43.037 1.00 0.00 H +TER +ATOM 15275 O WAT 4736 19.240 53.081 43.056 1.00 0.00 O +ATOM 15276 H1 WAT 4736 19.976 52.532 43.327 1.00 0.00 H +ATOM 15277 H2 WAT 4736 19.624 53.947 42.917 1.00 0.00 H +TER +ATOM 15278 O WAT 4737 16.124 49.148 38.930 1.00 0.00 O +ATOM 15279 H1 WAT 4737 15.198 49.390 38.921 1.00 0.00 H +ATOM 15280 H2 WAT 4737 16.590 49.976 38.809 1.00 0.00 H +TER +ATOM 15281 O WAT 4738 18.246 52.266 52.245 1.00 0.00 O +ATOM 15282 H1 WAT 4738 19.047 52.587 52.658 1.00 0.00 H +ATOM 15283 H2 WAT 4738 17.731 51.905 52.967 1.00 0.00 H +TER +ATOM 15284 O WAT 4739 27.082 48.374 52.192 1.00 0.00 O +ATOM 15285 H1 WAT 4739 26.476 48.397 51.452 1.00 0.00 H +ATOM 15286 H2 WAT 4739 26.777 47.642 52.729 1.00 0.00 H +TER +ATOM 15287 O WAT 4740 28.512 52.102 50.803 1.00 0.00 O +ATOM 15288 H1 WAT 4740 29.464 52.017 50.753 1.00 0.00 H +ATOM 15289 H2 WAT 4740 28.365 52.766 51.477 1.00 0.00 H +TER +ATOM 15290 O WAT 4741 31.403 51.481 36.302 1.00 0.00 O +ATOM 15291 H1 WAT 4741 31.117 51.067 35.488 1.00 0.00 H +ATOM 15292 H2 WAT 4741 31.205 52.410 36.182 1.00 0.00 H +TER +ATOM 15293 O WAT 4742 15.965 44.753 51.188 1.00 0.00 O +ATOM 15294 H1 WAT 4742 16.469 44.174 51.760 1.00 0.00 H +ATOM 15295 H2 WAT 4742 15.226 45.037 51.726 1.00 0.00 H +TER +ATOM 15296 O WAT 4743 23.019 46.160 50.722 1.00 0.00 O +ATOM 15297 H1 WAT 4743 22.254 46.728 50.637 1.00 0.00 H +ATOM 15298 H2 WAT 4743 23.201 45.868 49.829 1.00 0.00 H +TER +ATOM 15299 O WAT 4744 30.161 47.891 51.279 1.00 0.00 O +ATOM 15300 H1 WAT 4744 30.902 48.228 50.776 1.00 0.00 H +ATOM 15301 H2 WAT 4744 29.399 48.060 50.726 1.00 0.00 H +TER +ATOM 15302 O WAT 4745 17.998 42.896 52.083 1.00 0.00 O +ATOM 15303 H1 WAT 4745 18.038 42.597 52.992 1.00 0.00 H +ATOM 15304 H2 WAT 4745 18.852 43.297 51.924 1.00 0.00 H +TER +ATOM 15305 O WAT 4746 21.775 45.495 37.244 1.00 0.00 O +ATOM 15306 H1 WAT 4746 22.197 45.329 38.087 1.00 0.00 H +ATOM 15307 H2 WAT 4746 21.901 44.685 36.749 1.00 0.00 H +TER +ATOM 15308 O WAT 4747 19.938 41.475 50.051 1.00 0.00 O +ATOM 15309 H1 WAT 4747 19.408 40.984 49.423 1.00 0.00 H +ATOM 15310 H2 WAT 4747 20.607 41.903 49.516 1.00 0.00 H +TER +ATOM 15311 O WAT 4748 28.836 45.942 49.815 1.00 0.00 O +ATOM 15312 H1 WAT 4748 29.250 46.097 50.664 1.00 0.00 H +ATOM 15313 H2 WAT 4748 27.901 46.068 49.977 1.00 0.00 H +TER +ATOM 15314 O WAT 4749 29.308 43.282 51.819 1.00 0.00 O +ATOM 15315 H1 WAT 4749 29.890 42.527 51.731 1.00 0.00 H +ATOM 15316 H2 WAT 4749 29.484 43.812 51.042 1.00 0.00 H +TER +ATOM 15317 O WAT 4750 20.425 38.441 50.130 1.00 0.00 O +ATOM 15318 H1 WAT 4750 20.331 37.823 49.406 1.00 0.00 H +ATOM 15319 H2 WAT 4750 19.845 39.168 49.903 1.00 0.00 H +TER +ATOM 15320 O WAT 4751 23.192 36.999 47.163 1.00 0.00 O +ATOM 15321 H1 WAT 4751 22.743 37.021 46.318 1.00 0.00 H +ATOM 15322 H2 WAT 4751 22.558 36.601 47.760 1.00 0.00 H +TER +ATOM 15323 O WAT 4752 23.598 45.894 47.784 1.00 0.00 O +ATOM 15324 H1 WAT 4752 24.016 46.737 47.612 1.00 0.00 H +ATOM 15325 H2 WAT 4752 22.678 46.031 47.555 1.00 0.00 H +TER +ATOM 15326 O WAT 4753 25.934 43.626 49.168 1.00 0.00 O +ATOM 15327 H1 WAT 4753 26.054 43.030 49.908 1.00 0.00 H +ATOM 15328 H2 WAT 4753 26.793 43.663 48.748 1.00 0.00 H +TER +ATOM 15329 O WAT 4754 28.273 44.179 47.744 1.00 0.00 O +ATOM 15330 H1 WAT 4754 27.746 44.704 47.141 1.00 0.00 H +ATOM 15331 H2 WAT 4754 28.616 44.812 48.375 1.00 0.00 H +TER +ATOM 15332 O WAT 4755 21.448 52.199 48.900 1.00 0.00 O +ATOM 15333 H1 WAT 4755 20.910 52.924 48.581 1.00 0.00 H +ATOM 15334 H2 WAT 4755 21.702 51.722 48.110 1.00 0.00 H +TER +ATOM 15335 O WAT 4756 22.701 40.168 50.426 1.00 0.00 O +ATOM 15336 H1 WAT 4756 23.291 39.859 51.114 1.00 0.00 H +ATOM 15337 H2 WAT 4756 21.883 39.696 50.582 1.00 0.00 H +TER +ATOM 15338 O WAT 4757 27.520 39.784 50.659 1.00 0.00 O +ATOM 15339 H1 WAT 4757 26.832 39.123 50.594 1.00 0.00 H +ATOM 15340 H2 WAT 4757 28.241 39.338 51.104 1.00 0.00 H +TER +ATOM 15341 O WAT 4758 24.305 53.434 49.159 1.00 0.00 O +ATOM 15342 H1 WAT 4758 24.230 54.338 49.466 1.00 0.00 H +ATOM 15343 H2 WAT 4758 23.402 53.116 49.131 1.00 0.00 H +TER +ATOM 15344 O WAT 4759 18.493 47.973 35.010 1.00 0.00 O +ATOM 15345 H1 WAT 4759 18.930 48.516 35.666 1.00 0.00 H +ATOM 15346 H2 WAT 4759 18.977 47.148 35.020 1.00 0.00 H +TER +ATOM 15347 O WAT 4760 15.707 50.762 42.462 1.00 0.00 O +ATOM 15348 H1 WAT 4760 16.038 49.894 42.230 1.00 0.00 H +ATOM 15349 H2 WAT 4760 16.136 50.968 43.293 1.00 0.00 H +TER +ATOM 15350 O WAT 4761 20.303 49.093 40.122 1.00 0.00 O +ATOM 15351 H1 WAT 4761 20.003 48.969 41.023 1.00 0.00 H +ATOM 15352 H2 WAT 4761 20.197 48.234 39.714 1.00 0.00 H +TER +ATOM 15353 O WAT 4762 16.196 51.629 45.200 1.00 0.00 O +ATOM 15354 H1 WAT 4762 15.759 51.809 46.033 1.00 0.00 H +ATOM 15355 H2 WAT 4762 16.764 52.386 45.059 1.00 0.00 H +TER +ATOM 15356 O WAT 4763 31.832 51.131 49.488 1.00 0.00 O +ATOM 15357 H1 WAT 4763 31.233 51.190 48.745 1.00 0.00 H +ATOM 15358 H2 WAT 4763 31.962 50.191 49.618 1.00 0.00 H +TER +ATOM 15359 O WAT 4764 16.029 44.141 41.559 1.00 0.00 O +ATOM 15360 H1 WAT 4764 15.374 43.872 40.915 1.00 0.00 H +ATOM 15361 H2 WAT 4764 16.866 44.031 41.109 1.00 0.00 H +TER +ATOM 15362 O WAT 4765 30.518 47.856 47.586 1.00 0.00 O +ATOM 15363 H1 WAT 4765 29.704 48.286 47.848 1.00 0.00 H +ATOM 15364 H2 WAT 4765 30.925 48.468 46.973 1.00 0.00 H +TER +ATOM 15365 O WAT 4766 17.066 44.526 46.100 1.00 0.00 O +ATOM 15366 H1 WAT 4766 17.434 44.439 46.979 1.00 0.00 H +ATOM 15367 H2 WAT 4766 16.497 43.763 46.000 1.00 0.00 H +TER +ATOM 15368 O WAT 4767 31.867 42.995 49.113 1.00 0.00 O +ATOM 15369 H1 WAT 4767 31.635 42.766 48.212 1.00 0.00 H +ATOM 15370 H2 WAT 4767 32.127 43.915 49.067 1.00 0.00 H +TER +ATOM 15371 O WAT 4768 16.618 41.437 50.005 1.00 0.00 O +ATOM 15372 H1 WAT 4768 15.723 41.404 50.345 1.00 0.00 H +ATOM 15373 H2 WAT 4768 17.158 41.636 50.771 1.00 0.00 H +TER +ATOM 15374 O WAT 4769 30.305 38.220 51.891 1.00 0.00 O +ATOM 15375 H1 WAT 4769 31.183 38.229 52.274 1.00 0.00 H +ATOM 15376 H2 WAT 4769 30.318 37.483 51.280 1.00 0.00 H +TER +ATOM 15377 O WAT 4770 15.243 41.351 37.502 1.00 0.00 O +ATOM 15378 H1 WAT 4770 14.339 41.614 37.327 1.00 0.00 H +ATOM 15379 H2 WAT 4770 15.727 41.622 36.722 1.00 0.00 H +TER +ATOM 15380 O WAT 4771 17.433 36.461 34.452 1.00 0.00 O +ATOM 15381 H1 WAT 4771 18.155 37.002 34.770 1.00 0.00 H +ATOM 15382 H2 WAT 4771 17.705 36.188 33.576 1.00 0.00 H +TER +ATOM 15383 O WAT 4772 17.122 35.712 44.354 1.00 0.00 O +ATOM 15384 H1 WAT 4772 17.769 35.162 43.913 1.00 0.00 H +ATOM 15385 H2 WAT 4772 17.542 35.966 45.175 1.00 0.00 H +TER +ATOM 15386 O WAT 4773 31.017 35.906 47.711 1.00 0.00 O +ATOM 15387 H1 WAT 4773 31.654 36.520 48.077 1.00 0.00 H +ATOM 15388 H2 WAT 4773 31.165 35.942 46.766 1.00 0.00 H +TER +ATOM 15389 O WAT 4774 30.575 52.608 41.113 1.00 0.00 O +ATOM 15390 H1 WAT 4774 31.171 52.286 40.436 1.00 0.00 H +ATOM 15391 H2 WAT 4774 30.833 52.135 41.904 1.00 0.00 H +TER +ATOM 15392 O WAT 4775 16.875 35.868 47.096 1.00 0.00 O +ATOM 15393 H1 WAT 4775 16.527 36.324 47.862 1.00 0.00 H +ATOM 15394 H2 WAT 4775 16.544 34.973 47.179 1.00 0.00 H +TER +ATOM 15395 O WAT 4776 18.482 49.040 51.262 1.00 0.00 O +ATOM 15396 H1 WAT 4776 18.438 48.669 52.143 1.00 0.00 H +ATOM 15397 H2 WAT 4776 18.613 49.977 51.402 1.00 0.00 H +TER +ATOM 15398 O WAT 4777 22.182 50.595 46.863 1.00 0.00 O +ATOM 15399 H1 WAT 4777 21.941 50.863 45.976 1.00 0.00 H +ATOM 15400 H2 WAT 4777 23.122 50.766 46.918 1.00 0.00 H +TER +ATOM 15401 O WAT 4778 24.388 37.059 50.618 1.00 0.00 O +ATOM 15402 H1 WAT 4778 24.326 37.651 51.368 1.00 0.00 H +ATOM 15403 H2 WAT 4778 25.328 36.951 50.473 1.00 0.00 H +TER +ATOM 15404 O WAT 4779 33.443 52.615 47.664 1.00 0.00 O +ATOM 15405 H1 WAT 4779 32.948 53.012 46.946 1.00 0.00 H +ATOM 15406 H2 WAT 4779 32.834 51.990 48.057 1.00 0.00 H +TER +ATOM 15407 O WAT 4780 17.547 35.395 50.371 1.00 0.00 O +ATOM 15408 H1 WAT 4780 18.095 35.214 49.608 1.00 0.00 H +ATOM 15409 H2 WAT 4780 17.613 34.605 50.907 1.00 0.00 H +TER +ATOM 15410 O WAT 4781 18.320 51.986 48.381 1.00 0.00 O +ATOM 15411 H1 WAT 4781 17.726 51.854 49.120 1.00 0.00 H +ATOM 15412 H2 WAT 4781 18.313 51.150 47.916 1.00 0.00 H +TER +ATOM 15413 O WAT 4782 31.126 53.257 44.942 1.00 0.00 O +ATOM 15414 H1 WAT 4782 30.667 54.009 44.568 1.00 0.00 H +ATOM 15415 H2 WAT 4782 30.498 52.538 44.884 1.00 0.00 H +TER +ATOM 15416 O WAT 4783 17.952 49.352 47.332 1.00 0.00 O +ATOM 15417 H1 WAT 4783 17.225 48.732 47.265 1.00 0.00 H +ATOM 15418 H2 WAT 4783 18.012 49.746 46.462 1.00 0.00 H +TER +ATOM 15419 O WAT 4784 21.556 51.566 44.117 1.00 0.00 O +ATOM 15420 H1 WAT 4784 22.073 50.955 43.592 1.00 0.00 H +ATOM 15421 H2 WAT 4784 22.206 52.069 44.608 1.00 0.00 H +TER +ATOM 15422 O WAT 4785 24.296 52.457 44.944 1.00 0.00 O +ATOM 15423 H1 WAT 4785 24.583 52.202 44.067 1.00 0.00 H +ATOM 15424 H2 WAT 4785 24.808 51.905 45.535 1.00 0.00 H +TER +ATOM 15425 O WAT 4786 16.235 52.669 40.542 1.00 0.00 O +ATOM 15426 H1 WAT 4786 16.067 52.036 41.240 1.00 0.00 H +ATOM 15427 H2 WAT 4786 15.368 52.875 40.191 1.00 0.00 H +TER +ATOM 15428 O WAT 4787 16.857 36.501 38.045 1.00 0.00 O +ATOM 15429 H1 WAT 4787 17.615 36.614 37.471 1.00 0.00 H +ATOM 15430 H2 WAT 4787 16.395 37.338 37.999 1.00 0.00 H +TER +ATOM 15431 O WAT 4788 17.841 51.362 37.987 1.00 0.00 O +ATOM 15432 H1 WAT 4788 17.316 51.743 37.283 1.00 0.00 H +ATOM 15433 H2 WAT 4788 17.765 51.987 38.708 1.00 0.00 H +TER +ATOM 15434 O WAT 4789 24.363 53.379 52.311 1.00 0.00 O +ATOM 15435 H1 WAT 4789 25.290 53.143 52.354 1.00 0.00 H +ATOM 15436 H2 WAT 4789 24.348 54.206 51.829 1.00 0.00 H +TER +ATOM 15437 O WAT 4790 32.597 52.921 39.308 1.00 0.00 O +ATOM 15438 H1 WAT 4790 32.773 52.235 38.664 1.00 0.00 H +ATOM 15439 H2 WAT 4790 31.899 53.446 38.916 1.00 0.00 H +TER +ATOM 15440 O WAT 4791 21.549 36.043 52.075 1.00 0.00 O +ATOM 15441 H1 WAT 4791 21.268 36.546 51.311 1.00 0.00 H +ATOM 15442 H2 WAT 4791 21.931 35.245 51.709 1.00 0.00 H +TER +ATOM 15443 O WAT 4792 19.602 49.427 36.866 1.00 0.00 O +ATOM 15444 H1 WAT 4792 18.972 49.896 37.415 1.00 0.00 H +ATOM 15445 H2 WAT 4792 19.716 48.582 37.301 1.00 0.00 H +TER +ATOM 15446 O WAT 4793 28.151 35.458 52.653 1.00 0.00 O +ATOM 15447 H1 WAT 4793 28.037 35.778 53.548 1.00 0.00 H +ATOM 15448 H2 WAT 4793 28.968 35.860 52.357 1.00 0.00 H +TER +ATOM 15449 O WAT 4794 30.931 52.606 52.135 1.00 0.00 O +ATOM 15450 H1 WAT 4794 31.723 52.110 51.928 1.00 0.00 H +ATOM 15451 H2 WAT 4794 31.224 53.285 52.743 1.00 0.00 H +TER +ATOM 15452 O WAT 4795 17.614 40.528 19.559 1.00 0.00 O +ATOM 15453 H1 WAT 4795 16.726 40.869 19.457 1.00 0.00 H +ATOM 15454 H2 WAT 4795 17.898 40.328 18.667 1.00 0.00 H +TER +ATOM 15455 O WAT 4796 15.577 43.128 25.443 1.00 0.00 O +ATOM 15456 H1 WAT 4796 16.149 42.360 25.444 1.00 0.00 H +ATOM 15457 H2 WAT 4796 15.578 43.427 24.534 1.00 0.00 H +TER +ATOM 15458 O WAT 4797 25.435 51.947 23.298 1.00 0.00 O +ATOM 15459 H1 WAT 4797 24.817 52.403 22.727 1.00 0.00 H +ATOM 15460 H2 WAT 4797 26.291 52.103 22.897 1.00 0.00 H +TER +ATOM 15461 O WAT 4798 15.670 47.517 18.065 1.00 0.00 O +ATOM 15462 H1 WAT 4798 15.293 48.006 17.333 1.00 0.00 H +ATOM 15463 H2 WAT 4798 15.927 48.189 18.696 1.00 0.00 H +TER +ATOM 15464 O WAT 4799 31.455 36.038 16.084 1.00 0.00 O +ATOM 15465 H1 WAT 4799 31.142 36.131 16.984 1.00 0.00 H +ATOM 15466 H2 WAT 4799 32.216 36.617 16.034 1.00 0.00 H +TER +ATOM 15467 O WAT 4800 17.973 43.404 20.542 1.00 0.00 O +ATOM 15468 H1 WAT 4800 17.853 44.131 19.930 1.00 0.00 H +ATOM 15469 H2 WAT 4800 17.663 42.635 20.065 1.00 0.00 H +TER +ATOM 15470 O WAT 4801 15.612 46.576 26.349 1.00 0.00 O +ATOM 15471 H1 WAT 4801 15.690 46.711 25.405 1.00 0.00 H +ATOM 15472 H2 WAT 4801 16.226 45.868 26.542 1.00 0.00 H +TER +ATOM 15473 O WAT 4802 16.856 48.276 22.760 1.00 0.00 O +ATOM 15474 H1 WAT 4802 16.449 48.417 21.905 1.00 0.00 H +ATOM 15475 H2 WAT 4802 17.748 47.992 22.557 1.00 0.00 H +TER +ATOM 15476 O WAT 4803 28.650 52.711 19.095 1.00 0.00 O +ATOM 15477 H1 WAT 4803 28.490 52.421 19.993 1.00 0.00 H +ATOM 15478 H2 WAT 4803 28.484 51.935 18.559 1.00 0.00 H +TER +ATOM 15479 O WAT 4804 21.129 52.491 20.872 1.00 0.00 O +ATOM 15480 H1 WAT 4804 20.953 51.574 20.659 1.00 0.00 H +ATOM 15481 H2 WAT 4804 20.274 52.849 21.112 1.00 0.00 H +TER +ATOM 15482 O WAT 4805 28.352 50.219 17.655 1.00 0.00 O +ATOM 15483 H1 WAT 4805 27.659 50.217 16.995 1.00 0.00 H +ATOM 15484 H2 WAT 4805 29.095 49.795 17.224 1.00 0.00 H +TER +ATOM 15485 O WAT 4806 27.917 51.846 21.729 1.00 0.00 O +ATOM 15486 H1 WAT 4806 28.373 51.065 22.043 1.00 0.00 H +ATOM 15487 H2 WAT 4806 28.257 52.556 22.274 1.00 0.00 H +TER +ATOM 15488 O WAT 4807 15.668 47.617 28.888 1.00 0.00 O +ATOM 15489 H1 WAT 4807 15.831 47.148 28.070 1.00 0.00 H +ATOM 15490 H2 WAT 4807 16.133 47.110 29.553 1.00 0.00 H +TER +ATOM 15491 O WAT 4808 15.104 37.104 24.505 1.00 0.00 O +ATOM 15492 H1 WAT 4808 14.815 37.674 25.218 1.00 0.00 H +ATOM 15493 H2 WAT 4808 15.848 36.625 24.868 1.00 0.00 H +TER +ATOM 15494 O WAT 4809 15.291 41.046 15.715 1.00 0.00 O +ATOM 15495 H1 WAT 4809 15.208 41.989 15.857 1.00 0.00 H +ATOM 15496 H2 WAT 4809 14.939 40.904 14.837 1.00 0.00 H +TER +ATOM 15497 O WAT 4810 22.165 43.091 17.171 1.00 0.00 O +ATOM 15498 H1 WAT 4810 21.596 42.643 16.545 1.00 0.00 H +ATOM 15499 H2 WAT 4810 22.874 43.451 16.638 1.00 0.00 H +TER +ATOM 15500 O WAT 4811 17.242 46.993 31.048 1.00 0.00 O +ATOM 15501 H1 WAT 4811 16.857 46.352 31.646 1.00 0.00 H +ATOM 15502 H2 WAT 4811 17.553 47.696 31.618 1.00 0.00 H +TER +ATOM 15503 O WAT 4812 16.255 38.585 22.658 1.00 0.00 O +ATOM 15504 H1 WAT 4812 15.970 38.220 23.496 1.00 0.00 H +ATOM 15505 H2 WAT 4812 16.193 37.853 22.045 1.00 0.00 H +TER +ATOM 15506 O WAT 4813 15.748 43.720 16.618 1.00 0.00 O +ATOM 15507 H1 WAT 4813 16.618 44.003 16.902 1.00 0.00 H +ATOM 15508 H2 WAT 4813 15.257 44.534 16.503 1.00 0.00 H +TER +ATOM 15509 O WAT 4814 30.334 48.906 16.410 1.00 0.00 O +ATOM 15510 H1 WAT 4814 30.108 48.190 17.002 1.00 0.00 H +ATOM 15511 H2 WAT 4814 29.944 48.658 15.572 1.00 0.00 H +TER +ATOM 15512 O WAT 4815 16.116 52.933 17.184 1.00 0.00 O +ATOM 15513 H1 WAT 4815 16.475 53.532 16.530 1.00 0.00 H +ATOM 15514 H2 WAT 4815 15.975 53.479 17.958 1.00 0.00 H +TER +ATOM 15515 O WAT 4816 15.812 37.211 30.672 1.00 0.00 O +ATOM 15516 H1 WAT 4816 15.098 37.410 31.277 1.00 0.00 H +ATOM 15517 H2 WAT 4816 16.232 36.435 31.043 1.00 0.00 H +TER +ATOM 15518 O WAT 4817 16.100 51.199 31.658 1.00 0.00 O +ATOM 15519 H1 WAT 4817 16.209 50.258 31.518 1.00 0.00 H +ATOM 15520 H2 WAT 4817 15.448 51.464 31.010 1.00 0.00 H +TER +ATOM 15521 O WAT 4818 17.733 45.538 18.746 1.00 0.00 O +ATOM 15522 H1 WAT 4818 17.126 46.278 18.756 1.00 0.00 H +ATOM 15523 H2 WAT 4818 18.208 45.628 17.920 1.00 0.00 H +TER +ATOM 15524 O WAT 4819 25.118 50.379 16.664 1.00 0.00 O +ATOM 15525 H1 WAT 4819 25.220 50.176 15.734 1.00 0.00 H +ATOM 15526 H2 WAT 4819 24.219 50.125 16.869 1.00 0.00 H +TER +ATOM 15527 O WAT 4820 23.760 52.898 21.359 1.00 0.00 O +ATOM 15528 H1 WAT 4820 24.014 52.860 20.437 1.00 0.00 H +ATOM 15529 H2 WAT 4820 22.811 52.771 21.352 1.00 0.00 H +TER +ATOM 15530 O WAT 4821 20.844 39.246 18.021 1.00 0.00 O +ATOM 15531 H1 WAT 4821 21.693 39.683 17.955 1.00 0.00 H +ATOM 15532 H2 WAT 4821 20.478 39.558 18.849 1.00 0.00 H +TER +ATOM 15533 O WAT 4822 19.744 45.499 16.495 1.00 0.00 O +ATOM 15534 H1 WAT 4822 20.510 45.387 17.058 1.00 0.00 H +ATOM 15535 H2 WAT 4822 19.821 44.803 15.843 1.00 0.00 H +TER +ATOM 15536 O WAT 4823 18.438 42.931 17.178 1.00 0.00 O +ATOM 15537 H1 WAT 4823 18.519 41.984 17.290 1.00 0.00 H +ATOM 15538 H2 WAT 4823 19.330 43.262 17.284 1.00 0.00 H +TER +ATOM 15539 O WAT 4824 31.768 50.988 24.610 1.00 0.00 O +ATOM 15540 H1 WAT 4824 31.893 51.811 25.082 1.00 0.00 H +ATOM 15541 H2 WAT 4824 32.635 50.777 24.262 1.00 0.00 H +TER +ATOM 15542 O WAT 4825 19.240 53.081 24.282 1.00 0.00 O +ATOM 15543 H1 WAT 4825 19.976 52.532 24.553 1.00 0.00 H +ATOM 15544 H2 WAT 4825 19.624 53.947 24.142 1.00 0.00 H +TER +ATOM 15545 O WAT 4826 16.124 49.148 20.156 1.00 0.00 O +ATOM 15546 H1 WAT 4826 15.198 49.390 20.146 1.00 0.00 H +ATOM 15547 H2 WAT 4826 16.590 49.976 20.034 1.00 0.00 H +TER +ATOM 15548 O WAT 4827 18.246 52.266 33.470 1.00 0.00 O +ATOM 15549 H1 WAT 4827 19.047 52.587 33.884 1.00 0.00 H +ATOM 15550 H2 WAT 4827 17.731 51.905 34.192 1.00 0.00 H +TER +ATOM 15551 O WAT 4828 22.350 52.254 16.104 1.00 0.00 O +ATOM 15552 H1 WAT 4828 23.143 52.543 15.652 1.00 0.00 H +ATOM 15553 H2 WAT 4828 21.830 51.823 15.426 1.00 0.00 H +TER +ATOM 15554 O WAT 4829 31.403 51.481 17.528 1.00 0.00 O +ATOM 15555 H1 WAT 4829 31.117 51.067 16.713 1.00 0.00 H +ATOM 15556 H2 WAT 4829 31.205 52.410 17.408 1.00 0.00 H +TER +ATOM 15557 O WAT 4830 26.108 46.536 16.573 1.00 0.00 O +ATOM 15558 H1 WAT 4830 25.559 46.983 17.217 1.00 0.00 H +ATOM 15559 H2 WAT 4830 26.730 46.031 17.096 1.00 0.00 H +TER +ATOM 15560 O WAT 4831 24.288 44.519 15.717 1.00 0.00 O +ATOM 15561 H1 WAT 4831 24.809 43.804 15.351 1.00 0.00 H +ATOM 15562 H2 WAT 4831 24.935 45.158 16.017 1.00 0.00 H +TER +ATOM 15563 O WAT 4832 20.671 41.569 15.415 1.00 0.00 O +ATOM 15564 H1 WAT 4832 20.470 40.705 15.776 1.00 0.00 H +ATOM 15565 H2 WAT 4832 20.501 41.482 14.477 1.00 0.00 H +TER +ATOM 15566 O WAT 4833 19.470 38.669 15.403 1.00 0.00 O +ATOM 15567 H1 WAT 4833 19.772 38.676 14.495 1.00 0.00 H +ATOM 15568 H2 WAT 4833 20.209 38.319 15.900 1.00 0.00 H +TER +ATOM 15569 O WAT 4834 22.688 37.612 16.388 1.00 0.00 O +ATOM 15570 H1 WAT 4834 22.340 36.935 15.809 1.00 0.00 H +ATOM 15571 H2 WAT 4834 22.889 37.151 17.203 1.00 0.00 H +TER +ATOM 15572 O WAT 4835 24.853 52.600 18.007 1.00 0.00 O +ATOM 15573 H1 WAT 4835 25.748 52.939 18.029 1.00 0.00 H +ATOM 15574 H2 WAT 4835 24.885 51.878 17.380 1.00 0.00 H +TER +ATOM 15575 O WAT 4836 18.493 47.973 16.236 1.00 0.00 O +ATOM 15576 H1 WAT 4836 18.930 48.516 16.892 1.00 0.00 H +ATOM 15577 H2 WAT 4836 18.977 47.148 16.245 1.00 0.00 H +TER +ATOM 15578 O WAT 4837 15.707 50.762 23.688 1.00 0.00 O +ATOM 15579 H1 WAT 4837 16.038 49.894 23.456 1.00 0.00 H +ATOM 15580 H2 WAT 4837 16.136 50.968 24.518 1.00 0.00 H +TER +ATOM 15581 O WAT 4838 16.196 51.629 26.426 1.00 0.00 O +ATOM 15582 H1 WAT 4838 15.759 51.809 27.258 1.00 0.00 H +ATOM 15583 H2 WAT 4838 16.764 52.386 26.284 1.00 0.00 H +TER +ATOM 15584 O WAT 4839 33.073 48.872 16.051 1.00 0.00 O +ATOM 15585 H1 WAT 4839 32.242 48.940 16.521 1.00 0.00 H +ATOM 15586 H2 WAT 4839 33.250 49.763 15.747 1.00 0.00 H +TER +ATOM 15587 O WAT 4840 16.029 44.141 22.785 1.00 0.00 O +ATOM 15588 H1 WAT 4840 15.374 43.872 22.141 1.00 0.00 H +ATOM 15589 H2 WAT 4840 16.866 44.031 22.335 1.00 0.00 H +TER +ATOM 15590 O WAT 4841 32.580 45.911 15.711 1.00 0.00 O +ATOM 15591 H1 WAT 4841 32.855 46.819 15.583 1.00 0.00 H +ATOM 15592 H2 WAT 4841 32.391 45.847 16.648 1.00 0.00 H +TER +ATOM 15593 O WAT 4842 17.066 44.526 27.325 1.00 0.00 O +ATOM 15594 H1 WAT 4842 17.434 44.439 28.205 1.00 0.00 H +ATOM 15595 H2 WAT 4842 16.497 43.763 27.226 1.00 0.00 H +TER +ATOM 15596 O WAT 4843 15.243 41.351 18.727 1.00 0.00 O +ATOM 15597 H1 WAT 4843 14.339 41.614 18.553 1.00 0.00 H +ATOM 15598 H2 WAT 4843 15.727 41.622 17.947 1.00 0.00 H +TER +ATOM 15599 O WAT 4844 17.785 40.407 16.637 1.00 0.00 O +ATOM 15600 H1 WAT 4844 18.494 39.986 16.152 1.00 0.00 H +ATOM 15601 H2 WAT 4844 17.069 40.475 16.005 1.00 0.00 H +TER +ATOM 15602 O WAT 4845 17.433 36.461 15.677 1.00 0.00 O +ATOM 15603 H1 WAT 4845 18.155 37.002 15.995 1.00 0.00 H +ATOM 15604 H2 WAT 4845 17.705 36.188 14.801 1.00 0.00 H +TER +ATOM 15605 O WAT 4846 33.560 37.798 15.719 1.00 0.00 O +ATOM 15606 H1 WAT 4846 34.484 37.666 15.511 1.00 0.00 H +ATOM 15607 H2 WAT 4846 33.537 37.877 16.672 1.00 0.00 H +TER +ATOM 15608 O WAT 4847 30.575 52.608 22.338 1.00 0.00 O +ATOM 15609 H1 WAT 4847 31.171 52.286 21.662 1.00 0.00 H +ATOM 15610 H2 WAT 4847 30.833 52.135 23.130 1.00 0.00 H +TER +ATOM 15611 O WAT 4848 16.875 35.868 28.322 1.00 0.00 O +ATOM 15612 H1 WAT 4848 16.527 36.324 29.088 1.00 0.00 H +ATOM 15613 H2 WAT 4848 16.544 34.973 28.404 1.00 0.00 H +TER +ATOM 15614 O WAT 4849 18.482 49.040 32.487 1.00 0.00 O +ATOM 15615 H1 WAT 4849 18.438 48.669 33.369 1.00 0.00 H +ATOM 15616 H2 WAT 4849 18.613 49.977 32.627 1.00 0.00 H +TER +ATOM 15617 O WAT 4850 18.320 51.986 29.607 1.00 0.00 O +ATOM 15618 H1 WAT 4850 17.726 51.854 30.346 1.00 0.00 H +ATOM 15619 H2 WAT 4850 18.313 51.150 29.141 1.00 0.00 H +TER +ATOM 15620 O WAT 4851 31.126 53.257 26.168 1.00 0.00 O +ATOM 15621 H1 WAT 4851 30.667 54.009 25.794 1.00 0.00 H +ATOM 15622 H2 WAT 4851 30.498 52.538 26.109 1.00 0.00 H +TER +ATOM 15623 O WAT 4852 16.235 52.669 21.768 1.00 0.00 O +ATOM 15624 H1 WAT 4852 16.067 52.036 22.466 1.00 0.00 H +ATOM 15625 H2 WAT 4852 15.368 52.875 21.417 1.00 0.00 H +TER +ATOM 15626 O WAT 4853 16.857 36.501 19.271 1.00 0.00 O +ATOM 15627 H1 WAT 4853 17.615 36.614 18.697 1.00 0.00 H +ATOM 15628 H2 WAT 4853 16.395 37.338 19.225 1.00 0.00 H +TER +ATOM 15629 O WAT 4854 31.045 35.681 18.773 1.00 0.00 O +ATOM 15630 H1 WAT 4854 31.240 36.579 19.040 1.00 0.00 H +ATOM 15631 H2 WAT 4854 30.258 35.450 19.267 1.00 0.00 H +TER +ATOM 15632 O WAT 4855 17.841 51.362 19.213 1.00 0.00 O +ATOM 15633 H1 WAT 4855 17.316 51.743 18.509 1.00 0.00 H +ATOM 15634 H2 WAT 4855 17.765 51.987 19.934 1.00 0.00 H +TER +ATOM 15635 O WAT 4856 19.230 37.027 17.811 1.00 0.00 O +ATOM 15636 H1 WAT 4856 19.759 36.240 17.682 1.00 0.00 H +ATOM 15637 H2 WAT 4856 19.863 37.706 18.044 1.00 0.00 H +TER +ATOM 15638 O WAT 4857 32.597 52.921 20.534 1.00 0.00 O +ATOM 15639 H1 WAT 4857 32.773 52.235 19.890 1.00 0.00 H +ATOM 15640 H2 WAT 4857 31.899 53.446 20.142 1.00 0.00 H +TER +ATOM 15641 O WAT 4858 20.440 53.311 18.087 1.00 0.00 O +ATOM 15642 H1 WAT 4858 21.172 53.027 17.540 1.00 0.00 H +ATOM 15643 H2 WAT 4858 20.699 53.072 18.977 1.00 0.00 H +TER +ATOM 15644 O WAT 4859 19.602 49.427 18.092 1.00 0.00 O +ATOM 15645 H1 WAT 4859 18.972 49.896 18.641 1.00 0.00 H +ATOM 15646 H2 WAT 4859 19.716 48.582 18.527 1.00 0.00 H +TER +ATOM 15647 O WAT 4860 27.057 43.478 4.242 1.00 0.00 O +ATOM 15648 H1 WAT 4860 26.976 42.563 3.971 1.00 0.00 H +ATOM 15649 H2 WAT 4860 26.643 43.974 3.536 1.00 0.00 H +TER +ATOM 15650 O WAT 4861 25.188 45.256 6.123 1.00 0.00 O +ATOM 15651 H1 WAT 4861 24.413 44.776 6.413 1.00 0.00 H +ATOM 15652 H2 WAT 4861 25.840 44.576 5.949 1.00 0.00 H +TER +ATOM 15653 O WAT 4862 19.205 45.568 7.001 1.00 0.00 O +ATOM 15654 H1 WAT 4862 18.373 45.312 7.400 1.00 0.00 H +ATOM 15655 H2 WAT 4862 19.813 45.639 7.737 1.00 0.00 H +TER +ATOM 15656 O WAT 4863 29.209 49.662 4.903 1.00 0.00 O +ATOM 15657 H1 WAT 4863 28.747 48.890 5.232 1.00 0.00 H +ATOM 15658 H2 WAT 4863 30.022 49.688 5.408 1.00 0.00 H +TER +ATOM 15659 O WAT 4864 19.185 49.602 7.197 1.00 0.00 O +ATOM 15660 H1 WAT 4864 19.488 48.711 7.018 1.00 0.00 H +ATOM 15661 H2 WAT 4864 19.929 50.159 6.969 1.00 0.00 H +TER +ATOM 15662 O WAT 4865 15.577 43.128 6.669 1.00 0.00 O +ATOM 15663 H1 WAT 4865 16.149 42.360 6.669 1.00 0.00 H +ATOM 15664 H2 WAT 4865 15.578 43.427 5.760 1.00 0.00 H +TER +ATOM 15665 O WAT 4866 25.435 51.947 4.523 1.00 0.00 O +ATOM 15666 H1 WAT 4866 24.817 52.403 3.953 1.00 0.00 H +ATOM 15667 H2 WAT 4866 26.291 52.103 4.122 1.00 0.00 H +TER +ATOM 15668 O WAT 4867 24.629 47.931 6.130 1.00 0.00 O +ATOM 15669 H1 WAT 4867 24.560 46.990 5.969 1.00 0.00 H +ATOM 15670 H2 WAT 4867 25.391 48.021 6.702 1.00 0.00 H +TER +ATOM 15671 O WAT 4868 16.820 38.537 8.456 1.00 0.00 O +ATOM 15672 H1 WAT 4868 16.640 37.639 8.736 1.00 0.00 H +ATOM 15673 H2 WAT 4868 16.418 39.084 9.131 1.00 0.00 H +TER +ATOM 15674 O WAT 4869 25.660 40.738 6.357 1.00 0.00 O +ATOM 15675 H1 WAT 4869 26.036 39.865 6.244 1.00 0.00 H +ATOM 15676 H2 WAT 4869 25.562 41.074 5.466 1.00 0.00 H +TER +ATOM 15677 O WAT 4870 29.442 38.233 3.290 1.00 0.00 O +ATOM 15678 H1 WAT 4870 30.263 37.743 3.332 1.00 0.00 H +ATOM 15679 H2 WAT 4870 29.476 38.823 4.043 1.00 0.00 H +TER +ATOM 15680 O WAT 4871 17.439 41.033 7.064 1.00 0.00 O +ATOM 15681 H1 WAT 4871 18.120 41.297 7.683 1.00 0.00 H +ATOM 15682 H2 WAT 4871 17.123 40.193 7.398 1.00 0.00 H +TER +ATOM 15683 O WAT 4872 21.631 42.079 6.151 1.00 0.00 O +ATOM 15684 H1 WAT 4872 22.139 42.578 6.792 1.00 0.00 H +ATOM 15685 H2 WAT 4872 22.162 41.303 5.975 1.00 0.00 H +TER +ATOM 15686 O WAT 4873 33.732 40.250 9.854 1.00 0.00 O +ATOM 15687 H1 WAT 4873 33.027 40.638 9.336 1.00 0.00 H +ATOM 15688 H2 WAT 4873 33.998 40.945 10.456 1.00 0.00 H +TER +ATOM 15689 O WAT 4874 19.915 36.719 10.418 1.00 0.00 O +ATOM 15690 H1 WAT 4874 19.916 37.237 9.612 1.00 0.00 H +ATOM 15691 H2 WAT 4874 19.085 36.242 10.395 1.00 0.00 H +TER +ATOM 15692 O WAT 4875 21.165 46.359 8.595 1.00 0.00 O +ATOM 15693 H1 WAT 4875 20.832 46.986 9.237 1.00 0.00 H +ATOM 15694 H2 WAT 4875 21.342 46.885 7.815 1.00 0.00 H +TER +ATOM 15695 O WAT 4876 29.678 40.173 6.063 1.00 0.00 O +ATOM 15696 H1 WAT 4876 28.974 40.462 6.643 1.00 0.00 H +ATOM 15697 H2 WAT 4876 30.040 40.983 5.703 1.00 0.00 H +TER +ATOM 15698 O WAT 4877 19.596 38.430 8.425 1.00 0.00 O +ATOM 15699 H1 WAT 4877 19.938 39.275 8.130 1.00 0.00 H +ATOM 15700 H2 WAT 4877 18.658 38.579 8.541 1.00 0.00 H +TER +ATOM 15701 O WAT 4878 20.377 48.327 10.410 1.00 0.00 O +ATOM 15702 H1 WAT 4878 20.994 49.002 10.128 1.00 0.00 H +ATOM 15703 H2 WAT 4878 19.516 48.736 10.319 1.00 0.00 H +TER +ATOM 15704 O WAT 4879 31.295 49.791 8.325 1.00 0.00 O +ATOM 15705 H1 WAT 4879 30.611 50.461 8.317 1.00 0.00 H +ATOM 15706 H2 WAT 4879 31.834 49.989 7.560 1.00 0.00 H +TER +ATOM 15707 O WAT 4880 32.747 39.619 6.454 1.00 0.00 O +ATOM 15708 H1 WAT 4880 31.800 39.653 6.585 1.00 0.00 H +ATOM 15709 H2 WAT 4880 33.072 40.433 6.838 1.00 0.00 H +TER +ATOM 15710 O WAT 4881 23.279 35.919 4.749 1.00 0.00 O +ATOM 15711 H1 WAT 4881 23.586 35.363 4.033 1.00 0.00 H +ATOM 15712 H2 WAT 4881 22.349 36.053 4.566 1.00 0.00 H +TER +ATOM 15713 O WAT 4882 28.830 51.635 7.040 1.00 0.00 O +ATOM 15714 H1 WAT 4882 28.843 51.232 6.172 1.00 0.00 H +ATOM 15715 H2 WAT 4882 28.278 52.410 6.936 1.00 0.00 H +TER +ATOM 15716 O WAT 4883 30.125 48.357 2.129 1.00 0.00 O +ATOM 15717 H1 WAT 4883 30.015 47.414 2.254 1.00 0.00 H +ATOM 15718 H2 WAT 4883 30.122 48.718 3.015 1.00 0.00 H +TER +ATOM 15719 O WAT 4884 28.229 46.538 8.368 1.00 0.00 O +ATOM 15720 H1 WAT 4884 28.646 46.324 7.534 1.00 0.00 H +ATOM 15721 H2 WAT 4884 28.953 46.796 8.939 1.00 0.00 H +TER +ATOM 15722 O WAT 4885 32.175 44.937 8.460 1.00 0.00 O +ATOM 15723 H1 WAT 4885 31.347 45.006 7.985 1.00 0.00 H +ATOM 15724 H2 WAT 4885 32.770 45.522 7.991 1.00 0.00 H +TER +ATOM 15725 O WAT 4886 29.139 41.724 9.405 1.00 0.00 O +ATOM 15726 H1 WAT 4886 28.727 42.549 9.659 1.00 0.00 H +ATOM 15727 H2 WAT 4886 28.407 41.138 9.213 1.00 0.00 H +TER +ATOM 15728 O WAT 4887 21.273 44.510 4.267 1.00 0.00 O +ATOM 15729 H1 WAT 4887 20.868 43.798 3.772 1.00 0.00 H +ATOM 15730 H2 WAT 4887 21.359 44.165 5.156 1.00 0.00 H +TER +ATOM 15731 O WAT 4888 21.741 48.197 6.431 1.00 0.00 O +ATOM 15732 H1 WAT 4888 21.444 47.591 5.752 1.00 0.00 H +ATOM 15733 H2 WAT 4888 22.691 48.234 6.320 1.00 0.00 H +TER +ATOM 15734 O WAT 4889 19.986 41.284 8.047 1.00 0.00 O +ATOM 15735 H1 WAT 4889 20.537 41.394 7.272 1.00 0.00 H +ATOM 15736 H2 WAT 4889 20.500 41.658 8.763 1.00 0.00 H +TER +ATOM 15737 O WAT 4890 29.829 51.770 10.093 1.00 0.00 O +ATOM 15738 H1 WAT 4890 29.352 52.577 9.901 1.00 0.00 H +ATOM 15739 H2 WAT 4890 29.146 51.118 10.246 1.00 0.00 H +TER +ATOM 15740 O WAT 4891 20.833 47.935 13.082 1.00 0.00 O +ATOM 15741 H1 WAT 4891 19.936 48.159 13.329 1.00 0.00 H +ATOM 15742 H2 WAT 4891 20.858 48.058 12.133 1.00 0.00 H +TER +ATOM 15743 O WAT 4892 19.660 44.806 11.658 1.00 0.00 O +ATOM 15744 H1 WAT 4892 19.521 45.678 12.026 1.00 0.00 H +ATOM 15745 H2 WAT 4892 18.778 44.463 11.512 1.00 0.00 H +TER +ATOM 15746 O WAT 4893 25.983 49.724 2.964 1.00 0.00 O +ATOM 15747 H1 WAT 4893 26.422 50.466 2.550 1.00 0.00 H +ATOM 15748 H2 WAT 4893 25.921 49.966 3.888 1.00 0.00 H +TER +ATOM 15749 O WAT 4894 21.458 50.748 13.866 1.00 0.00 O +ATOM 15750 H1 WAT 4894 21.429 51.153 12.999 1.00 0.00 H +ATOM 15751 H2 WAT 4894 21.294 49.819 13.703 1.00 0.00 H +TER +ATOM 15752 O WAT 4895 33.409 51.531 15.163 1.00 0.00 O +ATOM 15753 H1 WAT 4895 33.885 52.009 15.841 1.00 0.00 H +ATOM 15754 H2 WAT 4895 34.030 51.463 14.437 1.00 0.00 H +TER +ATOM 15755 O WAT 4896 15.612 46.576 7.575 1.00 0.00 O +ATOM 15756 H1 WAT 4896 15.690 46.711 6.630 1.00 0.00 H +ATOM 15757 H2 WAT 4896 16.226 45.868 7.767 1.00 0.00 H +TER +ATOM 15758 O WAT 4897 16.856 48.276 3.985 1.00 0.00 O +ATOM 15759 H1 WAT 4897 16.449 48.417 3.131 1.00 0.00 H +ATOM 15760 H2 WAT 4897 17.748 47.992 3.782 1.00 0.00 H +TER +ATOM 15761 O WAT 4898 32.813 48.722 12.323 1.00 0.00 O +ATOM 15762 H1 WAT 4898 32.939 48.484 11.404 1.00 0.00 H +ATOM 15763 H2 WAT 4898 32.855 47.891 12.795 1.00 0.00 H +TER +ATOM 15764 O WAT 4899 26.674 52.425 10.892 1.00 0.00 O +ATOM 15765 H1 WAT 4899 27.189 52.336 11.694 1.00 0.00 H +ATOM 15766 H2 WAT 4899 25.831 52.771 11.185 1.00 0.00 H +TER +ATOM 15767 O WAT 4900 27.917 51.846 2.955 1.00 0.00 O +ATOM 15768 H1 WAT 4900 28.373 51.065 3.269 1.00 0.00 H +ATOM 15769 H2 WAT 4900 28.257 52.556 3.499 1.00 0.00 H +TER +ATOM 15770 O WAT 4901 32.665 40.776 13.287 1.00 0.00 O +ATOM 15771 H1 WAT 4901 32.050 41.284 12.759 1.00 0.00 H +ATOM 15772 H2 WAT 4901 32.345 39.875 13.230 1.00 0.00 H +TER +ATOM 15773 O WAT 4902 15.668 47.617 10.114 1.00 0.00 O +ATOM 15774 H1 WAT 4902 15.831 47.148 9.296 1.00 0.00 H +ATOM 15775 H2 WAT 4902 16.133 47.110 10.779 1.00 0.00 H +TER +ATOM 15776 O WAT 4903 20.440 36.748 5.150 1.00 0.00 O +ATOM 15777 H1 WAT 4903 19.996 37.529 4.819 1.00 0.00 H +ATOM 15778 H2 WAT 4903 20.998 37.071 5.857 1.00 0.00 H +TER +ATOM 15779 O WAT 4904 24.727 39.615 10.754 1.00 0.00 O +ATOM 15780 H1 WAT 4904 24.264 39.823 11.566 1.00 0.00 H +ATOM 15781 H2 WAT 4904 24.324 38.801 10.451 1.00 0.00 H +TER +ATOM 15782 O WAT 4905 29.727 40.836 11.883 1.00 0.00 O +ATOM 15783 H1 WAT 4905 28.876 40.536 12.204 1.00 0.00 H +ATOM 15784 H2 WAT 4905 29.567 41.080 10.972 1.00 0.00 H +TER +ATOM 15785 O WAT 4906 26.822 42.336 13.983 1.00 0.00 O +ATOM 15786 H1 WAT 4906 27.147 41.502 13.643 1.00 0.00 H +ATOM 15787 H2 WAT 4906 27.610 42.859 14.131 1.00 0.00 H +TER +ATOM 15788 O WAT 4907 22.477 37.293 7.009 1.00 0.00 O +ATOM 15789 H1 WAT 4907 22.774 38.199 6.928 1.00 0.00 H +ATOM 15790 H2 WAT 4907 23.026 36.805 6.395 1.00 0.00 H +TER +ATOM 15791 O WAT 4908 20.231 41.871 2.878 1.00 0.00 O +ATOM 15792 H1 WAT 4908 20.005 41.655 3.783 1.00 0.00 H +ATOM 15793 H2 WAT 4908 19.450 42.304 2.533 1.00 0.00 H +TER +ATOM 15794 O WAT 4909 22.671 42.770 13.544 1.00 0.00 O +ATOM 15795 H1 WAT 4909 22.575 41.829 13.394 1.00 0.00 H +ATOM 15796 H2 WAT 4909 23.514 42.991 13.149 1.00 0.00 H +TER +ATOM 15797 O WAT 4910 26.067 40.514 3.508 1.00 0.00 O +ATOM 15798 H1 WAT 4910 26.460 40.831 2.695 1.00 0.00 H +ATOM 15799 H2 WAT 4910 26.429 39.635 3.622 1.00 0.00 H +TER +ATOM 15800 O WAT 4911 17.802 39.181 11.698 1.00 0.00 O +ATOM 15801 H1 WAT 4911 17.408 40.029 11.905 1.00 0.00 H +ATOM 15802 H2 WAT 4911 17.114 38.544 11.889 1.00 0.00 H +TER +ATOM 15803 O WAT 4912 24.376 39.265 14.767 1.00 0.00 O +ATOM 15804 H1 WAT 4912 23.686 39.072 15.402 1.00 0.00 H +ATOM 15805 H2 WAT 4912 25.120 39.548 15.300 1.00 0.00 H +TER +ATOM 15806 O WAT 4913 15.104 37.104 5.731 1.00 0.00 O +ATOM 15807 H1 WAT 4913 14.815 37.674 6.443 1.00 0.00 H +ATOM 15808 H2 WAT 4913 15.848 36.625 6.094 1.00 0.00 H +TER +ATOM 15809 O WAT 4914 26.653 43.105 7.603 1.00 0.00 O +ATOM 15810 H1 WAT 4914 25.921 43.613 7.952 1.00 0.00 H +ATOM 15811 H2 WAT 4914 26.255 42.288 7.302 1.00 0.00 H +TER +ATOM 15812 O WAT 4915 23.090 39.780 6.008 1.00 0.00 O +ATOM 15813 H1 WAT 4915 23.094 39.339 5.158 1.00 0.00 H +ATOM 15814 H2 WAT 4915 23.986 40.102 6.115 1.00 0.00 H +TER +ATOM 15815 O WAT 4916 18.941 39.663 4.967 1.00 0.00 O +ATOM 15816 H1 WAT 4916 18.601 40.140 5.724 1.00 0.00 H +ATOM 15817 H2 WAT 4916 18.178 39.209 4.608 1.00 0.00 H +TER +ATOM 15818 O WAT 4917 27.115 38.558 7.015 1.00 0.00 O +ATOM 15819 H1 WAT 4917 27.133 39.009 7.859 1.00 0.00 H +ATOM 15820 H2 WAT 4917 26.867 37.658 7.228 1.00 0.00 H +TER +ATOM 15821 O WAT 4918 30.542 35.971 12.854 1.00 0.00 O +ATOM 15822 H1 WAT 4918 30.867 35.240 13.380 1.00 0.00 H +ATOM 15823 H2 WAT 4918 30.578 35.653 11.952 1.00 0.00 H +TER +ATOM 15824 O WAT 4919 17.242 46.993 12.274 1.00 0.00 O +ATOM 15825 H1 WAT 4919 16.857 46.352 12.872 1.00 0.00 H +ATOM 15826 H2 WAT 4919 17.553 47.696 12.843 1.00 0.00 H +TER +ATOM 15827 O WAT 4920 23.391 43.840 7.755 1.00 0.00 O +ATOM 15828 H1 WAT 4920 23.758 43.366 8.501 1.00 0.00 H +ATOM 15829 H2 WAT 4920 23.202 44.714 8.095 1.00 0.00 H +TER +ATOM 15830 O WAT 4921 16.255 38.585 3.884 1.00 0.00 O +ATOM 15831 H1 WAT 4921 15.970 38.220 4.722 1.00 0.00 H +ATOM 15832 H2 WAT 4921 16.193 37.853 3.270 1.00 0.00 H +TER +ATOM 15833 O WAT 4922 21.181 42.881 10.073 1.00 0.00 O +ATOM 15834 H1 WAT 4922 20.877 43.760 10.298 1.00 0.00 H +ATOM 15835 H2 WAT 4922 22.136 42.941 10.109 1.00 0.00 H +TER +ATOM 15836 O WAT 4923 30.468 46.084 6.462 1.00 0.00 O +ATOM 15837 H1 WAT 4923 31.188 46.579 6.072 1.00 0.00 H +ATOM 15838 H2 WAT 4923 30.266 45.405 5.818 1.00 0.00 H +TER +ATOM 15839 O WAT 4924 25.850 46.155 12.349 1.00 0.00 O +ATOM 15840 H1 WAT 4924 25.784 45.234 12.095 1.00 0.00 H +ATOM 15841 H2 WAT 4924 25.221 46.252 13.064 1.00 0.00 H +TER +ATOM 15842 O WAT 4925 19.753 46.755 4.308 1.00 0.00 O +ATOM 15843 H1 WAT 4925 20.271 45.952 4.253 1.00 0.00 H +ATOM 15844 H2 WAT 4925 19.302 46.693 5.149 1.00 0.00 H +TER +ATOM 15845 O WAT 4926 17.238 43.721 11.220 1.00 0.00 O +ATOM 15846 H1 WAT 4926 16.879 44.387 11.807 1.00 0.00 H +ATOM 15847 H2 WAT 4926 16.943 42.890 11.591 1.00 0.00 H +TER +ATOM 15848 O WAT 4927 20.439 44.180 14.104 1.00 0.00 O +ATOM 15849 H1 WAT 4927 20.139 44.325 13.207 1.00 0.00 H +ATOM 15850 H2 WAT 4927 21.210 43.620 14.011 1.00 0.00 H +TER +ATOM 15851 O WAT 4928 25.782 48.977 12.100 1.00 0.00 O +ATOM 15852 H1 WAT 4928 25.796 48.045 11.881 1.00 0.00 H +ATOM 15853 H2 WAT 4928 25.074 49.063 12.739 1.00 0.00 H +TER +ATOM 15854 O WAT 4929 31.993 45.617 11.446 1.00 0.00 O +ATOM 15855 H1 WAT 4929 31.268 46.210 11.249 1.00 0.00 H +ATOM 15856 H2 WAT 4929 32.520 45.610 10.648 1.00 0.00 H +TER +ATOM 15857 O WAT 4930 27.523 47.343 4.945 1.00 0.00 O +ATOM 15858 H1 WAT 4930 27.875 46.746 4.285 1.00 0.00 H +ATOM 15859 H2 WAT 4930 26.639 47.018 5.116 1.00 0.00 H +TER +ATOM 15860 O WAT 4931 23.609 48.103 2.352 1.00 0.00 O +ATOM 15861 H1 WAT 4931 24.296 48.650 2.733 1.00 0.00 H +ATOM 15862 H2 WAT 4931 22.822 48.647 2.387 1.00 0.00 H +TER +ATOM 15863 O WAT 4932 25.215 50.618 9.194 1.00 0.00 O +ATOM 15864 H1 WAT 4932 25.859 50.824 9.871 1.00 0.00 H +ATOM 15865 H2 WAT 4932 25.578 49.857 8.741 1.00 0.00 H +TER +ATOM 15866 O WAT 4933 18.813 35.452 2.437 1.00 0.00 O +ATOM 15867 H1 WAT 4933 18.685 35.443 3.385 1.00 0.00 H +ATOM 15868 H2 WAT 4933 17.989 35.790 2.086 1.00 0.00 H +TER +ATOM 15869 O WAT 4934 26.488 48.622 7.911 1.00 0.00 O +ATOM 15870 H1 WAT 4934 27.131 47.921 8.025 1.00 0.00 H +ATOM 15871 H2 WAT 4934 27.013 49.401 7.731 1.00 0.00 H +TER +ATOM 15872 O WAT 4935 28.262 49.421 11.115 1.00 0.00 O +ATOM 15873 H1 WAT 4935 28.598 50.008 11.793 1.00 0.00 H +ATOM 15874 H2 WAT 4935 27.342 49.290 11.345 1.00 0.00 H +TER +ATOM 15875 O WAT 4936 15.812 37.211 11.897 1.00 0.00 O +ATOM 15876 H1 WAT 4936 15.098 37.410 12.503 1.00 0.00 H +ATOM 15877 H2 WAT 4936 16.232 36.435 12.269 1.00 0.00 H +TER +ATOM 15878 O WAT 4937 16.100 51.199 12.884 1.00 0.00 O +ATOM 15879 H1 WAT 4937 16.209 50.258 12.744 1.00 0.00 H +ATOM 15880 H2 WAT 4937 15.448 51.464 12.235 1.00 0.00 H +TER +ATOM 15881 O WAT 4938 24.091 49.470 14.284 1.00 0.00 O +ATOM 15882 H1 WAT 4938 23.771 48.751 14.828 1.00 0.00 H +ATOM 15883 H2 WAT 4938 23.417 50.146 14.357 1.00 0.00 H +TER +ATOM 15884 O WAT 4939 27.306 39.703 9.647 1.00 0.00 O +ATOM 15885 H1 WAT 4939 27.674 38.882 9.975 1.00 0.00 H +ATOM 15886 H2 WAT 4939 26.446 39.763 10.063 1.00 0.00 H +TER +ATOM 15887 O WAT 4940 24.267 42.357 9.871 1.00 0.00 O +ATOM 15888 H1 WAT 4940 24.765 42.831 10.536 1.00 0.00 H +ATOM 15889 H2 WAT 4940 24.409 41.433 10.078 1.00 0.00 H +TER +ATOM 15890 O WAT 4941 26.672 37.662 3.312 1.00 0.00 O +ATOM 15891 H1 WAT 4941 26.549 37.681 2.363 1.00 0.00 H +ATOM 15892 H2 WAT 4941 27.621 37.710 3.431 1.00 0.00 H +TER +ATOM 15893 O WAT 4942 31.473 38.574 10.714 1.00 0.00 O +ATOM 15894 H1 WAT 4942 30.971 39.314 11.053 1.00 0.00 H +ATOM 15895 H2 WAT 4942 32.289 38.962 10.398 1.00 0.00 H +TER +ATOM 15896 O WAT 4943 29.765 43.817 4.160 1.00 0.00 O +ATOM 15897 H1 WAT 4943 28.824 43.832 4.335 1.00 0.00 H +ATOM 15898 H2 WAT 4943 30.080 43.031 4.606 1.00 0.00 H +TER +ATOM 15899 O WAT 4944 31.768 50.988 5.836 1.00 0.00 O +ATOM 15900 H1 WAT 4944 31.893 51.811 6.308 1.00 0.00 H +ATOM 15901 H2 WAT 4944 32.635 50.777 5.488 1.00 0.00 H +TER +ATOM 15902 O WAT 4945 19.240 53.081 5.507 1.00 0.00 O +ATOM 15903 H1 WAT 4945 19.976 52.532 5.778 1.00 0.00 H +ATOM 15904 H2 WAT 4945 19.624 53.947 5.368 1.00 0.00 H +TER +ATOM 15905 O WAT 4946 18.246 52.266 14.696 1.00 0.00 O +ATOM 15906 H1 WAT 4946 19.047 52.587 15.109 1.00 0.00 H +ATOM 15907 H2 WAT 4946 17.731 51.905 15.418 1.00 0.00 H +TER +ATOM 15908 O WAT 4947 27.082 48.374 14.643 1.00 0.00 O +ATOM 15909 H1 WAT 4947 26.476 48.397 13.903 1.00 0.00 H +ATOM 15910 H2 WAT 4947 26.777 47.642 15.180 1.00 0.00 H +TER +ATOM 15911 O WAT 4948 28.512 52.102 13.254 1.00 0.00 O +ATOM 15912 H1 WAT 4948 29.464 52.017 13.204 1.00 0.00 H +ATOM 15913 H2 WAT 4948 28.365 52.766 13.928 1.00 0.00 H +TER +ATOM 15914 O WAT 4949 15.965 44.753 13.640 1.00 0.00 O +ATOM 15915 H1 WAT 4949 16.469 44.174 14.211 1.00 0.00 H +ATOM 15916 H2 WAT 4949 15.226 45.037 14.177 1.00 0.00 H +TER +ATOM 15917 O WAT 4950 23.019 46.160 13.173 1.00 0.00 O +ATOM 15918 H1 WAT 4950 22.254 46.728 13.089 1.00 0.00 H +ATOM 15919 H2 WAT 4950 23.201 45.868 12.280 1.00 0.00 H +TER +ATOM 15920 O WAT 4951 30.161 47.891 13.731 1.00 0.00 O +ATOM 15921 H1 WAT 4951 30.902 48.228 13.227 1.00 0.00 H +ATOM 15922 H2 WAT 4951 29.399 48.060 13.178 1.00 0.00 H +TER +ATOM 15923 O WAT 4952 17.998 42.896 14.535 1.00 0.00 O +ATOM 15924 H1 WAT 4952 18.038 42.597 15.443 1.00 0.00 H +ATOM 15925 H2 WAT 4952 18.852 43.297 14.375 1.00 0.00 H +TER +ATOM 15926 O WAT 4953 19.938 41.475 12.502 1.00 0.00 O +ATOM 15927 H1 WAT 4953 19.408 40.984 11.874 1.00 0.00 H +ATOM 15928 H2 WAT 4953 20.607 41.903 11.968 1.00 0.00 H +TER +ATOM 15929 O WAT 4954 28.836 45.942 12.266 1.00 0.00 O +ATOM 15930 H1 WAT 4954 29.250 46.097 13.115 1.00 0.00 H +ATOM 15931 H2 WAT 4954 27.901 46.068 12.429 1.00 0.00 H +TER +ATOM 15932 O WAT 4955 29.308 43.282 14.270 1.00 0.00 O +ATOM 15933 H1 WAT 4955 29.890 42.527 14.182 1.00 0.00 H +ATOM 15934 H2 WAT 4955 29.484 43.812 13.493 1.00 0.00 H +TER +ATOM 15935 O WAT 4956 20.425 38.441 12.582 1.00 0.00 O +ATOM 15936 H1 WAT 4956 20.331 37.823 11.857 1.00 0.00 H +ATOM 15937 H2 WAT 4956 19.845 39.168 12.355 1.00 0.00 H +TER +ATOM 15938 O WAT 4957 23.192 36.999 9.614 1.00 0.00 O +ATOM 15939 H1 WAT 4957 22.743 37.021 8.769 1.00 0.00 H +ATOM 15940 H2 WAT 4957 22.558 36.601 10.212 1.00 0.00 H +TER +ATOM 15941 O WAT 4958 23.598 45.894 10.236 1.00 0.00 O +ATOM 15942 H1 WAT 4958 24.016 46.737 10.063 1.00 0.00 H +ATOM 15943 H2 WAT 4958 22.678 46.031 10.006 1.00 0.00 H +TER +ATOM 15944 O WAT 4959 25.934 43.626 11.620 1.00 0.00 O +ATOM 15945 H1 WAT 4959 26.054 43.030 12.359 1.00 0.00 H +ATOM 15946 H2 WAT 4959 26.793 43.663 11.200 1.00 0.00 H +TER +ATOM 15947 O WAT 4960 28.273 44.179 10.196 1.00 0.00 O +ATOM 15948 H1 WAT 4960 27.746 44.704 9.592 1.00 0.00 H +ATOM 15949 H2 WAT 4960 28.616 44.812 10.827 1.00 0.00 H +TER +ATOM 15950 O WAT 4961 21.448 52.199 11.351 1.00 0.00 O +ATOM 15951 H1 WAT 4961 20.910 52.924 11.032 1.00 0.00 H +ATOM 15952 H2 WAT 4961 21.702 51.722 10.561 1.00 0.00 H +TER +ATOM 15953 O WAT 4962 22.701 40.168 12.877 1.00 0.00 O +ATOM 15954 H1 WAT 4962 23.291 39.859 13.565 1.00 0.00 H +ATOM 15955 H2 WAT 4962 21.883 39.696 13.033 1.00 0.00 H +TER +ATOM 15956 O WAT 4963 27.520 39.784 13.110 1.00 0.00 O +ATOM 15957 H1 WAT 4963 26.832 39.123 13.045 1.00 0.00 H +ATOM 15958 H2 WAT 4963 28.241 39.338 13.555 1.00 0.00 H +TER +ATOM 15959 O WAT 4964 24.305 53.434 11.610 1.00 0.00 O +ATOM 15960 H1 WAT 4964 24.230 54.338 11.917 1.00 0.00 H +ATOM 15961 H2 WAT 4964 23.402 53.116 11.582 1.00 0.00 H +TER +ATOM 15962 O WAT 4965 15.707 50.762 4.914 1.00 0.00 O +ATOM 15963 H1 WAT 4965 16.038 49.894 4.681 1.00 0.00 H +ATOM 15964 H2 WAT 4965 16.136 50.968 5.744 1.00 0.00 H +TER +ATOM 15965 O WAT 4966 20.303 49.093 2.574 1.00 0.00 O +ATOM 15966 H1 WAT 4966 20.003 48.969 3.474 1.00 0.00 H +ATOM 15967 H2 WAT 4966 20.197 48.234 2.165 1.00 0.00 H +TER +ATOM 15968 O WAT 4967 16.196 51.629 7.652 1.00 0.00 O +ATOM 15969 H1 WAT 4967 15.759 51.809 8.484 1.00 0.00 H +ATOM 15970 H2 WAT 4967 16.764 52.386 7.510 1.00 0.00 H +TER +ATOM 15971 O WAT 4968 31.832 51.131 11.939 1.00 0.00 O +ATOM 15972 H1 WAT 4968 31.233 51.190 11.196 1.00 0.00 H +ATOM 15973 H2 WAT 4968 31.962 50.191 12.069 1.00 0.00 H +TER +ATOM 15974 O WAT 4969 16.029 44.141 4.011 1.00 0.00 O +ATOM 15975 H1 WAT 4969 15.374 43.872 3.367 1.00 0.00 H +ATOM 15976 H2 WAT 4969 16.866 44.031 3.561 1.00 0.00 H +TER +ATOM 15977 O WAT 4970 33.534 46.472 4.624 1.00 0.00 O +ATOM 15978 H1 WAT 4970 33.905 45.689 4.218 1.00 0.00 H +ATOM 15979 H2 WAT 4970 34.174 47.161 4.446 1.00 0.00 H +TER +ATOM 15980 O WAT 4971 30.518 47.856 10.037 1.00 0.00 O +ATOM 15981 H1 WAT 4971 29.704 48.286 10.300 1.00 0.00 H +ATOM 15982 H2 WAT 4971 30.925 48.468 9.424 1.00 0.00 H +TER +ATOM 15983 O WAT 4972 17.066 44.526 8.551 1.00 0.00 O +ATOM 15984 H1 WAT 4972 17.434 44.439 9.431 1.00 0.00 H +ATOM 15985 H2 WAT 4972 16.497 43.763 8.452 1.00 0.00 H +TER +ATOM 15986 O WAT 4973 31.867 42.995 11.564 1.00 0.00 O +ATOM 15987 H1 WAT 4973 31.635 42.766 10.664 1.00 0.00 H +ATOM 15988 H2 WAT 4973 32.127 43.915 11.518 1.00 0.00 H +TER +ATOM 15989 O WAT 4974 16.618 41.437 12.457 1.00 0.00 O +ATOM 15990 H1 WAT 4974 15.723 41.404 12.796 1.00 0.00 H +ATOM 15991 H2 WAT 4974 17.158 41.636 13.222 1.00 0.00 H +TER +ATOM 15992 O WAT 4975 30.305 38.220 14.342 1.00 0.00 O +ATOM 15993 H1 WAT 4975 31.183 38.229 14.725 1.00 0.00 H +ATOM 15994 H2 WAT 4975 30.318 37.483 13.731 1.00 0.00 H +TER +ATOM 15995 O WAT 4976 31.752 42.073 5.231 1.00 0.00 O +ATOM 15996 H1 WAT 4976 32.276 41.580 4.600 1.00 0.00 H +ATOM 15997 H2 WAT 4976 32.338 42.208 5.975 1.00 0.00 H +TER +ATOM 15998 O WAT 4977 31.931 42.157 8.753 1.00 0.00 O +ATOM 15999 H1 WAT 4977 30.981 42.124 8.867 1.00 0.00 H +ATOM 16000 H2 WAT 4977 32.112 43.067 8.518 1.00 0.00 H +TER +ATOM 16001 O WAT 4978 17.122 35.712 6.805 1.00 0.00 O +ATOM 16002 H1 WAT 4978 17.769 35.162 6.365 1.00 0.00 H +ATOM 16003 H2 WAT 4978 17.542 35.966 7.627 1.00 0.00 H +TER +ATOM 16004 O WAT 4979 32.671 39.967 3.704 1.00 0.00 O +ATOM 16005 H1 WAT 4979 32.560 39.812 4.642 1.00 0.00 H +ATOM 16006 H2 WAT 4979 33.431 39.439 3.461 1.00 0.00 H +TER +ATOM 16007 O WAT 4980 31.017 35.906 10.162 1.00 0.00 O +ATOM 16008 H1 WAT 4980 31.654 36.520 10.528 1.00 0.00 H +ATOM 16009 H2 WAT 4980 31.165 35.942 9.217 1.00 0.00 H +TER +ATOM 16010 O WAT 4981 30.575 52.608 3.564 1.00 0.00 O +ATOM 16011 H1 WAT 4981 31.171 52.286 2.887 1.00 0.00 H +ATOM 16012 H2 WAT 4981 30.833 52.135 4.355 1.00 0.00 H +TER +ATOM 16013 O WAT 4982 16.875 35.868 9.548 1.00 0.00 O +ATOM 16014 H1 WAT 4982 16.527 36.324 10.313 1.00 0.00 H +ATOM 16015 H2 WAT 4982 16.544 34.973 9.630 1.00 0.00 H +TER +ATOM 16016 O WAT 4983 18.482 49.040 13.713 1.00 0.00 O +ATOM 16017 H1 WAT 4983 18.438 48.669 14.594 1.00 0.00 H +ATOM 16018 H2 WAT 4983 18.613 49.977 13.853 1.00 0.00 H +TER +ATOM 16019 O WAT 4984 22.182 50.595 9.314 1.00 0.00 O +ATOM 16020 H1 WAT 4984 21.941 50.863 8.427 1.00 0.00 H +ATOM 16021 H2 WAT 4984 23.122 50.766 9.369 1.00 0.00 H +TER +ATOM 16022 O WAT 4985 24.388 37.059 13.070 1.00 0.00 O +ATOM 16023 H1 WAT 4985 24.326 37.651 13.819 1.00 0.00 H +ATOM 16024 H2 WAT 4985 25.328 36.951 12.925 1.00 0.00 H +TER +ATOM 16025 O WAT 4986 27.025 36.716 12.709 1.00 0.00 O +ATOM 16026 H1 WAT 4986 27.639 37.034 12.047 1.00 0.00 H +ATOM 16027 H2 WAT 4986 27.570 36.231 13.328 1.00 0.00 H +TER +ATOM 16028 O WAT 4987 33.443 52.615 10.115 1.00 0.00 O +ATOM 16029 H1 WAT 4987 32.948 53.012 9.398 1.00 0.00 H +ATOM 16030 H2 WAT 4987 32.834 51.990 10.509 1.00 0.00 H +TER +ATOM 16031 O WAT 4988 17.547 35.395 12.823 1.00 0.00 O +ATOM 16032 H1 WAT 4988 18.095 35.214 12.059 1.00 0.00 H +ATOM 16033 H2 WAT 4988 17.613 34.605 13.358 1.00 0.00 H +TER +ATOM 16034 O WAT 4989 18.320 51.986 10.833 1.00 0.00 O +ATOM 16035 H1 WAT 4989 17.726 51.854 11.572 1.00 0.00 H +ATOM 16036 H2 WAT 4989 18.313 51.150 10.367 1.00 0.00 H +TER +ATOM 16037 O WAT 4990 27.766 35.279 9.036 1.00 0.00 O +ATOM 16038 H1 WAT 4990 26.892 35.612 8.833 1.00 0.00 H +ATOM 16039 H2 WAT 4990 27.657 34.806 9.861 1.00 0.00 H +TER +ATOM 16040 O WAT 4991 28.673 37.486 10.420 1.00 0.00 O +ATOM 16041 H1 WAT 4991 28.344 36.671 10.040 1.00 0.00 H +ATOM 16042 H2 WAT 4991 29.621 37.443 10.296 1.00 0.00 H +TER +ATOM 16043 O WAT 4992 31.126 53.257 7.394 1.00 0.00 O +ATOM 16044 H1 WAT 4992 30.667 54.009 7.019 1.00 0.00 H +ATOM 16045 H2 WAT 4992 30.498 52.538 7.335 1.00 0.00 H +TER +ATOM 16046 O WAT 4993 17.952 49.352 9.783 1.00 0.00 O +ATOM 16047 H1 WAT 4993 17.225 48.732 9.716 1.00 0.00 H +ATOM 16048 H2 WAT 4993 18.012 49.746 8.913 1.00 0.00 H +TER +ATOM 16049 O WAT 4994 21.556 51.566 6.568 1.00 0.00 O +ATOM 16050 H1 WAT 4994 22.073 50.955 6.043 1.00 0.00 H +ATOM 16051 H2 WAT 4994 22.206 52.069 7.060 1.00 0.00 H +TER +ATOM 16052 O WAT 4995 24.296 52.457 7.395 1.00 0.00 O +ATOM 16053 H1 WAT 4995 24.583 52.202 6.519 1.00 0.00 H +ATOM 16054 H2 WAT 4995 24.808 51.905 7.986 1.00 0.00 H +TER +ATOM 16055 O WAT 4996 25.513 36.196 7.975 1.00 0.00 O +ATOM 16056 H1 WAT 4996 24.730 36.671 8.255 1.00 0.00 H +ATOM 16057 H2 WAT 4996 25.220 35.291 7.866 1.00 0.00 H +TER +ATOM 16058 O WAT 4997 30.065 36.898 6.020 1.00 0.00 O +ATOM 16059 H1 WAT 4997 30.506 36.843 5.172 1.00 0.00 H +ATOM 16060 H2 WAT 4997 29.796 37.814 6.091 1.00 0.00 H +TER +ATOM 16061 O WAT 4998 31.929 36.530 4.031 1.00 0.00 O +ATOM 16062 H1 WAT 4998 31.868 35.586 3.884 1.00 0.00 H +ATOM 16063 H2 WAT 4998 32.708 36.638 4.576 1.00 0.00 H +TER +ATOM 16064 O WAT 4999 16.235 52.669 2.993 1.00 0.00 O +ATOM 16065 H1 WAT 4999 16.067 52.036 3.691 1.00 0.00 H +ATOM 16066 H2 WAT 4999 15.368 52.875 2.643 1.00 0.00 H +TER +ATOM 16067 O WAT 5000 23.399 38.615 3.487 1.00 0.00 O +ATOM 16068 H1 WAT 5000 22.586 38.240 3.146 1.00 0.00 H +ATOM 16069 H2 WAT 5000 23.903 37.859 3.789 1.00 0.00 H +TER +ATOM 16070 O WAT 5001 27.901 35.279 4.725 1.00 0.00 O +ATOM 16071 H1 WAT 5001 28.504 35.851 5.200 1.00 0.00 H +ATOM 16072 H2 WAT 5001 27.161 35.843 4.502 1.00 0.00 H +TER +ATOM 16073 O WAT 5002 24.363 53.379 14.762 1.00 0.00 O +ATOM 16074 H1 WAT 5002 25.290 53.143 14.806 1.00 0.00 H +ATOM 16075 H2 WAT 5002 24.348 54.206 14.281 1.00 0.00 H +TER +ATOM 16076 O WAT 5003 21.549 36.043 14.526 1.00 0.00 O +ATOM 16077 H1 WAT 5003 21.268 36.546 13.762 1.00 0.00 H +ATOM 16078 H2 WAT 5003 21.931 35.245 14.161 1.00 0.00 H +TER +ATOM 16079 O WAT 5004 28.151 35.458 15.104 1.00 0.00 O +ATOM 16080 H1 WAT 5004 28.037 35.778 16.000 1.00 0.00 H +ATOM 16081 H2 WAT 5004 28.968 35.860 14.808 1.00 0.00 H +TER +ATOM 16082 O WAT 5005 30.931 52.606 14.586 1.00 0.00 O +ATOM 16083 H1 WAT 5005 31.723 52.110 14.379 1.00 0.00 H +ATOM 16084 H2 WAT 5005 31.224 53.285 15.194 1.00 0.00 H +TER +ATOM 16085 O WAT 5006 27.057 24.703 60.565 1.00 0.00 O +ATOM 16086 H1 WAT 5006 26.976 23.789 60.294 1.00 0.00 H +ATOM 16087 H2 WAT 5006 26.643 25.200 59.859 1.00 0.00 H +TER +ATOM 16088 O WAT 5007 25.188 26.481 62.446 1.00 0.00 O +ATOM 16089 H1 WAT 5007 24.413 26.001 62.736 1.00 0.00 H +ATOM 16090 H2 WAT 5007 25.840 25.802 62.272 1.00 0.00 H +TER +ATOM 16091 O WAT 5008 19.205 26.793 63.324 1.00 0.00 O +ATOM 16092 H1 WAT 5008 18.373 26.538 63.723 1.00 0.00 H +ATOM 16093 H2 WAT 5008 19.813 26.864 64.060 1.00 0.00 H +TER +ATOM 16094 O WAT 5009 29.209 30.887 61.226 1.00 0.00 O +ATOM 16095 H1 WAT 5009 28.747 30.116 61.555 1.00 0.00 H +ATOM 16096 H2 WAT 5009 30.022 30.914 61.731 1.00 0.00 H +TER +ATOM 16097 O WAT 5010 19.185 30.827 63.520 1.00 0.00 O +ATOM 16098 H1 WAT 5010 19.488 29.937 63.341 1.00 0.00 H +ATOM 16099 H2 WAT 5010 19.929 31.384 63.292 1.00 0.00 H +TER +ATOM 16100 O WAT 5011 17.614 21.753 57.108 1.00 0.00 O +ATOM 16101 H1 WAT 5011 16.726 22.095 57.006 1.00 0.00 H +ATOM 16102 H2 WAT 5011 17.898 21.553 56.216 1.00 0.00 H +TER +ATOM 16103 O WAT 5012 15.577 24.354 62.992 1.00 0.00 O +ATOM 16104 H1 WAT 5012 16.149 23.586 62.992 1.00 0.00 H +ATOM 16105 H2 WAT 5012 15.578 24.653 62.083 1.00 0.00 H +TER +ATOM 16106 O WAT 5013 25.435 33.173 60.847 1.00 0.00 O +ATOM 16107 H1 WAT 5013 24.817 33.629 60.276 1.00 0.00 H +ATOM 16108 H2 WAT 5013 26.291 33.328 60.445 1.00 0.00 H +TER +ATOM 16109 O WAT 5014 24.629 29.157 62.453 1.00 0.00 O +ATOM 16110 H1 WAT 5014 24.560 28.216 62.292 1.00 0.00 H +ATOM 16111 H2 WAT 5014 25.391 29.247 63.025 1.00 0.00 H +TER +ATOM 16112 O WAT 5015 16.820 19.762 64.779 1.00 0.00 O +ATOM 16113 H1 WAT 5015 16.640 18.865 65.059 1.00 0.00 H +ATOM 16114 H2 WAT 5015 16.418 20.310 65.454 1.00 0.00 H +TER +ATOM 16115 O WAT 5016 25.660 21.964 62.680 1.00 0.00 O +ATOM 16116 H1 WAT 5016 26.036 21.091 62.567 1.00 0.00 H +ATOM 16117 H2 WAT 5016 25.562 22.300 61.789 1.00 0.00 H +TER +ATOM 16118 O WAT 5017 19.790 20.337 58.142 1.00 0.00 O +ATOM 16119 H1 WAT 5017 19.897 21.237 58.449 1.00 0.00 H +ATOM 16120 H2 WAT 5017 18.880 20.288 57.851 1.00 0.00 H +TER +ATOM 16121 O WAT 5018 29.442 19.459 59.613 1.00 0.00 O +ATOM 16122 H1 WAT 5018 30.263 18.969 59.655 1.00 0.00 H +ATOM 16123 H2 WAT 5018 29.476 20.049 60.366 1.00 0.00 H +TER +ATOM 16124 O WAT 5019 17.439 22.258 63.387 1.00 0.00 O +ATOM 16125 H1 WAT 5019 18.120 22.522 64.006 1.00 0.00 H +ATOM 16126 H2 WAT 5019 17.123 21.418 63.721 1.00 0.00 H +TER +ATOM 16127 O WAT 5020 21.631 23.305 62.474 1.00 0.00 O +ATOM 16128 H1 WAT 5020 22.139 23.803 63.115 1.00 0.00 H +ATOM 16129 H2 WAT 5020 22.162 22.529 62.298 1.00 0.00 H +TER +ATOM 16130 O WAT 5021 26.302 28.057 58.240 1.00 0.00 O +ATOM 16131 H1 WAT 5021 25.683 28.522 57.676 1.00 0.00 H +ATOM 16132 H2 WAT 5021 26.814 28.750 58.657 1.00 0.00 H +TER +ATOM 16133 O WAT 5022 21.165 27.585 64.918 1.00 0.00 O +ATOM 16134 H1 WAT 5022 20.832 28.211 65.560 1.00 0.00 H +ATOM 16135 H2 WAT 5022 21.342 28.111 64.138 1.00 0.00 H +TER +ATOM 16136 O WAT 5023 29.678 21.399 62.386 1.00 0.00 O +ATOM 16137 H1 WAT 5023 28.974 21.688 62.966 1.00 0.00 H +ATOM 16138 H2 WAT 5023 30.040 22.209 62.026 1.00 0.00 H +TER +ATOM 16139 O WAT 5024 19.596 19.656 64.748 1.00 0.00 O +ATOM 16140 H1 WAT 5024 19.938 20.500 64.453 1.00 0.00 H +ATOM 16141 H2 WAT 5024 18.658 19.804 64.864 1.00 0.00 H +TER +ATOM 16142 O WAT 5025 15.670 28.743 55.614 1.00 0.00 O +ATOM 16143 H1 WAT 5025 15.293 29.231 54.882 1.00 0.00 H +ATOM 16144 H2 WAT 5025 15.927 29.415 56.244 1.00 0.00 H +TER +ATOM 16145 O WAT 5026 31.295 31.017 64.648 1.00 0.00 O +ATOM 16146 H1 WAT 5026 30.611 31.686 64.640 1.00 0.00 H +ATOM 16147 H2 WAT 5026 31.834 31.215 63.883 1.00 0.00 H +TER +ATOM 16148 O WAT 5027 32.747 20.845 62.777 1.00 0.00 O +ATOM 16149 H1 WAT 5027 31.800 20.878 62.908 1.00 0.00 H +ATOM 16150 H2 WAT 5027 33.072 21.658 63.162 1.00 0.00 H +TER +ATOM 16151 O WAT 5028 23.279 17.144 61.072 1.00 0.00 O +ATOM 16152 H1 WAT 5028 23.586 16.589 60.356 1.00 0.00 H +ATOM 16153 H2 WAT 5028 22.349 17.279 60.890 1.00 0.00 H +TER +ATOM 16154 O WAT 5029 28.830 32.861 63.363 1.00 0.00 O +ATOM 16155 H1 WAT 5029 28.843 32.457 62.495 1.00 0.00 H +ATOM 16156 H2 WAT 5029 28.278 33.636 63.259 1.00 0.00 H +TER +ATOM 16157 O WAT 5030 30.125 29.583 58.452 1.00 0.00 O +ATOM 16158 H1 WAT 5030 30.015 28.640 58.577 1.00 0.00 H +ATOM 16159 H2 WAT 5030 30.122 29.944 59.338 1.00 0.00 H +TER +ATOM 16160 O WAT 5031 28.229 27.764 64.691 1.00 0.00 O +ATOM 16161 H1 WAT 5031 28.646 27.550 63.857 1.00 0.00 H +ATOM 16162 H2 WAT 5031 28.953 28.021 65.262 1.00 0.00 H +TER +ATOM 16163 O WAT 5032 25.667 25.209 57.808 1.00 0.00 O +ATOM 16164 H1 WAT 5032 24.740 25.143 58.037 1.00 0.00 H +ATOM 16165 H2 WAT 5032 25.820 26.147 57.694 1.00 0.00 H +TER +ATOM 16166 O WAT 5033 25.654 21.481 54.805 1.00 0.00 O +ATOM 16167 H1 WAT 5033 24.714 21.642 54.890 1.00 0.00 H +ATOM 16168 H2 WAT 5033 25.972 22.199 54.259 1.00 0.00 H +TER +ATOM 16169 O WAT 5034 32.175 26.163 64.783 1.00 0.00 O +ATOM 16170 H1 WAT 5034 31.347 26.232 64.308 1.00 0.00 H +ATOM 16171 H2 WAT 5034 32.770 26.748 64.314 1.00 0.00 H +TER +ATOM 16172 O WAT 5035 29.697 26.771 58.312 1.00 0.00 O +ATOM 16173 H1 WAT 5035 29.078 26.433 57.664 1.00 0.00 H +ATOM 16174 H2 WAT 5035 29.679 26.127 59.020 1.00 0.00 H +TER +ATOM 16175 O WAT 5036 29.139 22.950 65.728 1.00 0.00 O +ATOM 16176 H1 WAT 5036 28.727 23.775 65.982 1.00 0.00 H +ATOM 16177 H2 WAT 5036 28.407 22.364 65.536 1.00 0.00 H +TER +ATOM 16178 O WAT 5037 21.273 25.736 60.590 1.00 0.00 O +ATOM 16179 H1 WAT 5037 20.868 25.023 60.095 1.00 0.00 H +ATOM 16180 H2 WAT 5037 21.359 25.391 61.479 1.00 0.00 H +TER +ATOM 16181 O WAT 5038 21.741 29.422 62.754 1.00 0.00 O +ATOM 16182 H1 WAT 5038 21.444 28.817 62.075 1.00 0.00 H +ATOM 16183 H2 WAT 5038 22.691 29.460 62.643 1.00 0.00 H +TER +ATOM 16184 O WAT 5039 19.986 22.510 64.370 1.00 0.00 O +ATOM 16185 H1 WAT 5039 20.537 22.619 63.595 1.00 0.00 H +ATOM 16186 H2 WAT 5039 20.500 22.884 65.086 1.00 0.00 H +TER +ATOM 16187 O WAT 5040 27.873 26.010 55.319 1.00 0.00 O +ATOM 16188 H1 WAT 5040 28.313 25.172 55.173 1.00 0.00 H +ATOM 16189 H2 WAT 5040 28.586 26.643 55.405 1.00 0.00 H +TER +ATOM 16190 O WAT 5041 25.983 30.949 59.287 1.00 0.00 O +ATOM 16191 H1 WAT 5041 26.422 31.692 58.873 1.00 0.00 H +ATOM 16192 H2 WAT 5041 25.921 31.192 60.211 1.00 0.00 H +TER +ATOM 16193 O WAT 5042 31.455 17.264 53.633 1.00 0.00 O +ATOM 16194 H1 WAT 5042 31.142 17.357 54.533 1.00 0.00 H +ATOM 16195 H2 WAT 5042 32.216 17.842 53.583 1.00 0.00 H +TER +ATOM 16196 O WAT 5043 17.973 24.630 58.091 1.00 0.00 O +ATOM 16197 H1 WAT 5043 17.853 25.356 57.479 1.00 0.00 H +ATOM 16198 H2 WAT 5043 17.663 23.860 57.614 1.00 0.00 H +TER +ATOM 16199 O WAT 5044 15.612 27.802 63.898 1.00 0.00 O +ATOM 16200 H1 WAT 5044 15.690 27.936 62.953 1.00 0.00 H +ATOM 16201 H2 WAT 5044 16.226 27.093 64.091 1.00 0.00 H +TER +ATOM 16202 O WAT 5045 16.856 29.502 60.308 1.00 0.00 O +ATOM 16203 H1 WAT 5045 16.449 29.643 59.454 1.00 0.00 H +ATOM 16204 H2 WAT 5045 17.748 29.218 60.105 1.00 0.00 H +TER +ATOM 16205 O WAT 5046 28.650 33.936 56.643 1.00 0.00 O +ATOM 16206 H1 WAT 5046 28.490 33.647 57.542 1.00 0.00 H +ATOM 16207 H2 WAT 5046 28.484 33.160 56.108 1.00 0.00 H +TER +ATOM 16208 O WAT 5047 21.129 33.716 58.421 1.00 0.00 O +ATOM 16209 H1 WAT 5047 20.953 32.800 58.207 1.00 0.00 H +ATOM 16210 H2 WAT 5047 20.274 34.075 58.660 1.00 0.00 H +TER +ATOM 16211 O WAT 5048 28.352 31.445 55.203 1.00 0.00 O +ATOM 16212 H1 WAT 5048 27.659 31.443 54.543 1.00 0.00 H +ATOM 16213 H2 WAT 5048 29.095 31.021 54.773 1.00 0.00 H +TER +ATOM 16214 O WAT 5049 27.917 33.071 59.278 1.00 0.00 O +ATOM 16215 H1 WAT 5049 28.373 32.290 59.592 1.00 0.00 H +ATOM 16216 H2 WAT 5049 28.257 33.782 59.822 1.00 0.00 H +TER +ATOM 16217 O WAT 5050 20.440 17.974 61.473 1.00 0.00 O +ATOM 16218 H1 WAT 5050 19.996 18.755 61.142 1.00 0.00 H +ATOM 16219 H2 WAT 5050 20.998 18.297 62.180 1.00 0.00 H +TER +ATOM 16220 O WAT 5051 23.555 17.595 56.354 1.00 0.00 O +ATOM 16221 H1 WAT 5051 22.931 17.591 57.079 1.00 0.00 H +ATOM 16222 H2 WAT 5051 23.468 16.728 55.957 1.00 0.00 H +TER +ATOM 16223 O WAT 5052 22.477 18.518 63.332 1.00 0.00 O +ATOM 16224 H1 WAT 5052 22.774 19.425 63.251 1.00 0.00 H +ATOM 16225 H2 WAT 5052 23.026 18.030 62.718 1.00 0.00 H +TER +ATOM 16226 O WAT 5053 20.231 23.097 59.201 1.00 0.00 O +ATOM 16227 H1 WAT 5053 20.005 22.881 60.106 1.00 0.00 H +ATOM 16228 H2 WAT 5053 19.450 23.530 58.856 1.00 0.00 H +TER +ATOM 16229 O WAT 5054 27.461 23.103 57.800 1.00 0.00 O +ATOM 16230 H1 WAT 5054 26.862 23.827 57.617 1.00 0.00 H +ATOM 16231 H2 WAT 5054 28.009 23.041 57.018 1.00 0.00 H +TER +ATOM 16232 O WAT 5055 26.067 21.740 59.831 1.00 0.00 O +ATOM 16233 H1 WAT 5055 26.460 22.057 59.018 1.00 0.00 H +ATOM 16234 H2 WAT 5055 26.429 20.861 59.945 1.00 0.00 H +TER +ATOM 16235 O WAT 5056 15.104 18.330 62.054 1.00 0.00 O +ATOM 16236 H1 WAT 5056 14.815 18.900 62.766 1.00 0.00 H +ATOM 16237 H2 WAT 5056 15.848 17.850 62.417 1.00 0.00 H +TER +ATOM 16238 O WAT 5057 15.291 22.272 53.264 1.00 0.00 O +ATOM 16239 H1 WAT 5057 15.208 23.215 53.406 1.00 0.00 H +ATOM 16240 H2 WAT 5057 14.939 22.129 52.385 1.00 0.00 H +TER +ATOM 16241 O WAT 5058 26.653 24.330 63.926 1.00 0.00 O +ATOM 16242 H1 WAT 5058 25.921 24.839 64.275 1.00 0.00 H +ATOM 16243 H2 WAT 5058 26.255 23.513 63.625 1.00 0.00 H +TER +ATOM 16244 O WAT 5059 23.090 21.006 62.331 1.00 0.00 O +ATOM 16245 H1 WAT 5059 23.094 20.565 61.482 1.00 0.00 H +ATOM 16246 H2 WAT 5059 23.986 21.327 62.438 1.00 0.00 H +TER +ATOM 16247 O WAT 5060 18.941 20.888 61.290 1.00 0.00 O +ATOM 16248 H1 WAT 5060 18.601 21.366 62.047 1.00 0.00 H +ATOM 16249 H2 WAT 5060 18.178 20.435 60.931 1.00 0.00 H +TER +ATOM 16250 O WAT 5061 23.152 22.007 55.322 1.00 0.00 O +ATOM 16251 H1 WAT 5061 23.274 21.965 56.270 1.00 0.00 H +ATOM 16252 H2 WAT 5061 22.767 22.869 55.166 1.00 0.00 H +TER +ATOM 16253 O WAT 5062 27.115 19.784 63.338 1.00 0.00 O +ATOM 16254 H1 WAT 5062 27.133 20.234 64.182 1.00 0.00 H +ATOM 16255 H2 WAT 5062 26.867 18.884 63.551 1.00 0.00 H +TER +ATOM 16256 O WAT 5063 22.165 24.317 54.720 1.00 0.00 O +ATOM 16257 H1 WAT 5063 21.596 23.869 54.094 1.00 0.00 H +ATOM 16258 H2 WAT 5063 22.874 24.676 54.187 1.00 0.00 H +TER +ATOM 16259 O WAT 5064 23.391 25.066 64.078 1.00 0.00 O +ATOM 16260 H1 WAT 5064 23.758 24.592 64.824 1.00 0.00 H +ATOM 16261 H2 WAT 5064 23.202 25.940 64.418 1.00 0.00 H +TER +ATOM 16262 O WAT 5065 16.255 19.810 60.207 1.00 0.00 O +ATOM 16263 H1 WAT 5065 15.970 19.446 61.045 1.00 0.00 H +ATOM 16264 H2 WAT 5065 16.193 19.078 59.593 1.00 0.00 H +TER +ATOM 16265 O WAT 5066 19.709 28.313 56.993 1.00 0.00 O +ATOM 16266 H1 WAT 5066 18.936 27.773 56.833 1.00 0.00 H +ATOM 16267 H2 WAT 5066 20.439 27.793 56.654 1.00 0.00 H +TER +ATOM 16268 O WAT 5067 30.468 27.309 62.785 1.00 0.00 O +ATOM 16269 H1 WAT 5067 31.188 27.805 62.395 1.00 0.00 H +ATOM 16270 H2 WAT 5067 30.266 26.631 62.141 1.00 0.00 H +TER +ATOM 16271 O WAT 5068 25.929 18.703 56.928 1.00 0.00 O +ATOM 16272 H1 WAT 5068 25.116 18.204 56.853 1.00 0.00 H +ATOM 16273 H2 WAT 5068 25.735 19.543 56.512 1.00 0.00 H +TER +ATOM 16274 O WAT 5069 28.644 23.075 55.225 1.00 0.00 O +ATOM 16275 H1 WAT 5069 29.532 23.387 55.050 1.00 0.00 H +ATOM 16276 H2 WAT 5069 28.615 22.202 54.833 1.00 0.00 H +TER +ATOM 16277 O WAT 5070 19.753 27.981 60.631 1.00 0.00 O +ATOM 16278 H1 WAT 5070 20.271 27.178 60.576 1.00 0.00 H +ATOM 16279 H2 WAT 5070 19.302 27.919 61.472 1.00 0.00 H +TER +ATOM 16280 O WAT 5071 24.640 29.247 55.903 1.00 0.00 O +ATOM 16281 H1 WAT 5071 24.982 29.992 55.408 1.00 0.00 H +ATOM 16282 H2 WAT 5071 23.811 29.561 56.266 1.00 0.00 H +TER +ATOM 16283 O WAT 5072 30.915 24.386 54.692 1.00 0.00 O +ATOM 16284 H1 WAT 5072 30.832 24.818 53.842 1.00 0.00 H +ATOM 16285 H2 WAT 5072 31.635 24.846 55.125 1.00 0.00 H +TER +ATOM 16286 O WAT 5073 31.944 31.240 57.421 1.00 0.00 O +ATOM 16287 H1 WAT 5073 31.302 30.586 57.695 1.00 0.00 H +ATOM 16288 H2 WAT 5073 31.557 31.646 56.645 1.00 0.00 H +TER +ATOM 16289 O WAT 5074 27.523 28.569 61.268 1.00 0.00 O +ATOM 16290 H1 WAT 5074 27.875 27.972 60.608 1.00 0.00 H +ATOM 16291 H2 WAT 5074 26.639 28.243 61.439 1.00 0.00 H +TER +ATOM 16292 O WAT 5075 23.609 29.329 58.675 1.00 0.00 O +ATOM 16293 H1 WAT 5075 24.296 29.876 59.056 1.00 0.00 H +ATOM 16294 H2 WAT 5075 22.822 29.873 58.710 1.00 0.00 H +TER +ATOM 16295 O WAT 5076 15.748 24.946 54.167 1.00 0.00 O +ATOM 16296 H1 WAT 5076 16.618 25.229 54.450 1.00 0.00 H +ATOM 16297 H2 WAT 5076 15.257 25.760 54.052 1.00 0.00 H +TER +ATOM 16298 O WAT 5077 22.912 26.333 58.287 1.00 0.00 O +ATOM 16299 H1 WAT 5077 23.368 27.144 58.513 1.00 0.00 H +ATOM 16300 H2 WAT 5077 22.561 26.016 59.119 1.00 0.00 H +TER +ATOM 16301 O WAT 5078 18.813 16.677 58.760 1.00 0.00 O +ATOM 16302 H1 WAT 5078 18.685 16.669 59.708 1.00 0.00 H +ATOM 16303 H2 WAT 5078 17.989 17.015 58.409 1.00 0.00 H +TER +ATOM 16304 O WAT 5079 26.488 29.847 64.234 1.00 0.00 O +ATOM 16305 H1 WAT 5079 27.131 29.147 64.348 1.00 0.00 H +ATOM 16306 H2 WAT 5079 27.013 30.627 64.054 1.00 0.00 H +TER +ATOM 16307 O WAT 5080 30.334 30.132 53.958 1.00 0.00 O +ATOM 16308 H1 WAT 5080 30.108 29.415 54.551 1.00 0.00 H +ATOM 16309 H2 WAT 5080 29.944 29.883 53.121 1.00 0.00 H +TER +ATOM 16310 O WAT 5081 16.116 34.159 54.733 1.00 0.00 O +ATOM 16311 H1 WAT 5081 16.475 34.758 54.079 1.00 0.00 H +ATOM 16312 H2 WAT 5081 15.975 34.705 55.506 1.00 0.00 H +TER +ATOM 16313 O WAT 5082 29.916 28.049 55.620 1.00 0.00 O +ATOM 16314 H1 WAT 5082 29.628 28.511 56.408 1.00 0.00 H +ATOM 16315 H2 WAT 5082 30.711 27.589 55.888 1.00 0.00 H +TER +ATOM 16316 O WAT 5083 22.132 31.542 55.550 1.00 0.00 O +ATOM 16317 H1 WAT 5083 22.123 32.275 54.935 1.00 0.00 H +ATOM 16318 H2 WAT 5083 21.212 31.295 55.643 1.00 0.00 H +TER +ATOM 16319 O WAT 5084 17.733 26.763 56.295 1.00 0.00 O +ATOM 16320 H1 WAT 5084 17.126 27.503 56.304 1.00 0.00 H +ATOM 16321 H2 WAT 5084 18.208 26.853 55.469 1.00 0.00 H +TER +ATOM 16322 O WAT 5085 30.673 19.884 56.779 1.00 0.00 O +ATOM 16323 H1 WAT 5085 30.044 19.989 56.065 1.00 0.00 H +ATOM 16324 H2 WAT 5085 30.178 20.104 57.569 1.00 0.00 H +TER +ATOM 16325 O WAT 5086 25.118 31.605 54.213 1.00 0.00 O +ATOM 16326 H1 WAT 5086 25.220 31.401 53.283 1.00 0.00 H +ATOM 16327 H2 WAT 5086 24.219 31.351 54.417 1.00 0.00 H +TER +ATOM 16328 O WAT 5087 22.641 22.163 58.195 1.00 0.00 O +ATOM 16329 H1 WAT 5087 21.933 22.631 58.636 1.00 0.00 H +ATOM 16330 H2 WAT 5087 22.925 21.505 58.830 1.00 0.00 H +TER +ATOM 16331 O WAT 5088 26.672 18.888 59.635 1.00 0.00 O +ATOM 16332 H1 WAT 5088 26.549 18.906 58.686 1.00 0.00 H +ATOM 16333 H2 WAT 5088 27.621 18.936 59.754 1.00 0.00 H +TER +ATOM 16334 O WAT 5089 23.760 34.123 58.907 1.00 0.00 O +ATOM 16335 H1 WAT 5089 24.014 34.086 57.985 1.00 0.00 H +ATOM 16336 H2 WAT 5089 22.811 33.997 58.900 1.00 0.00 H +TER +ATOM 16337 O WAT 5090 20.844 20.471 55.570 1.00 0.00 O +ATOM 16338 H1 WAT 5090 21.693 20.908 55.504 1.00 0.00 H +ATOM 16339 H2 WAT 5090 20.478 20.783 56.397 1.00 0.00 H +TER +ATOM 16340 O WAT 5091 29.765 25.043 60.483 1.00 0.00 O +ATOM 16341 H1 WAT 5091 28.824 25.058 60.658 1.00 0.00 H +ATOM 16342 H2 WAT 5091 30.080 24.256 60.929 1.00 0.00 H +TER +ATOM 16343 O WAT 5092 19.744 26.725 54.044 1.00 0.00 O +ATOM 16344 H1 WAT 5092 20.510 26.613 54.606 1.00 0.00 H +ATOM 16345 H2 WAT 5092 19.821 26.028 53.391 1.00 0.00 H +TER +ATOM 16346 O WAT 5093 18.438 24.157 54.727 1.00 0.00 O +ATOM 16347 H1 WAT 5093 18.519 23.210 54.839 1.00 0.00 H +ATOM 16348 H2 WAT 5093 19.330 24.488 54.833 1.00 0.00 H +TER +ATOM 16349 O WAT 5094 31.768 32.213 62.159 1.00 0.00 O +ATOM 16350 H1 WAT 5094 31.893 33.037 62.631 1.00 0.00 H +ATOM 16351 H2 WAT 5094 32.635 32.003 61.811 1.00 0.00 H +TER +ATOM 16352 O WAT 5095 19.240 34.307 61.830 1.00 0.00 O +ATOM 16353 H1 WAT 5095 19.976 33.758 62.101 1.00 0.00 H +ATOM 16354 H2 WAT 5095 19.624 35.172 61.691 1.00 0.00 H +TER +ATOM 16355 O WAT 5096 16.124 30.374 57.705 1.00 0.00 O +ATOM 16356 H1 WAT 5096 15.198 30.616 57.695 1.00 0.00 H +ATOM 16357 H2 WAT 5096 16.590 31.201 57.583 1.00 0.00 H +TER +ATOM 16358 O WAT 5097 22.350 33.480 53.653 1.00 0.00 O +ATOM 16359 H1 WAT 5097 23.143 33.768 53.201 1.00 0.00 H +ATOM 16360 H2 WAT 5097 21.830 33.049 52.974 1.00 0.00 H +TER +ATOM 16361 O WAT 5098 31.403 32.707 55.077 1.00 0.00 O +ATOM 16362 H1 WAT 5098 31.117 32.293 54.262 1.00 0.00 H +ATOM 16363 H2 WAT 5098 31.205 33.635 54.957 1.00 0.00 H +TER +ATOM 16364 O WAT 5099 22.868 28.700 53.517 1.00 0.00 O +ATOM 16365 H1 WAT 5099 22.763 28.085 54.243 1.00 0.00 H +ATOM 16366 H2 WAT 5099 22.700 28.177 52.734 1.00 0.00 H +TER +ATOM 16367 O WAT 5100 26.108 27.762 54.121 1.00 0.00 O +ATOM 16368 H1 WAT 5100 25.559 28.209 54.766 1.00 0.00 H +ATOM 16369 H2 WAT 5100 26.730 27.257 54.645 1.00 0.00 H +TER +ATOM 16370 O WAT 5101 21.775 26.721 56.018 1.00 0.00 O +ATOM 16371 H1 WAT 5101 22.197 26.555 56.861 1.00 0.00 H +ATOM 16372 H2 WAT 5101 21.901 25.911 55.523 1.00 0.00 H +TER +ATOM 16373 O WAT 5102 24.288 25.745 53.266 1.00 0.00 O +ATOM 16374 H1 WAT 5102 24.809 25.030 52.900 1.00 0.00 H +ATOM 16375 H2 WAT 5102 24.935 26.383 53.566 1.00 0.00 H +TER +ATOM 16376 O WAT 5103 20.671 22.794 52.964 1.00 0.00 O +ATOM 16377 H1 WAT 5103 20.470 21.931 53.325 1.00 0.00 H +ATOM 16378 H2 WAT 5103 20.501 22.708 52.026 1.00 0.00 H +TER +ATOM 16379 O WAT 5104 28.150 17.605 55.492 1.00 0.00 O +ATOM 16380 H1 WAT 5104 28.430 16.762 55.848 1.00 0.00 H +ATOM 16381 H2 WAT 5104 27.377 17.838 56.006 1.00 0.00 H +TER +ATOM 16382 O WAT 5105 19.470 19.894 52.952 1.00 0.00 O +ATOM 16383 H1 WAT 5105 19.772 19.901 52.043 1.00 0.00 H +ATOM 16384 H2 WAT 5105 20.209 19.544 53.448 1.00 0.00 H +TER +ATOM 16385 O WAT 5106 22.688 18.838 53.937 1.00 0.00 O +ATOM 16386 H1 WAT 5106 22.340 18.160 53.357 1.00 0.00 H +ATOM 16387 H2 WAT 5106 22.889 18.377 54.752 1.00 0.00 H +TER +ATOM 16388 O WAT 5107 24.853 33.826 55.556 1.00 0.00 O +ATOM 16389 H1 WAT 5107 25.748 34.164 55.578 1.00 0.00 H +ATOM 16390 H2 WAT 5107 24.885 33.104 54.928 1.00 0.00 H +TER +ATOM 16391 O WAT 5108 18.493 29.199 53.785 1.00 0.00 O +ATOM 16392 H1 WAT 5108 18.930 29.742 54.440 1.00 0.00 H +ATOM 16393 H2 WAT 5108 18.977 28.373 53.794 1.00 0.00 H +TER +ATOM 16394 O WAT 5109 15.707 31.988 61.237 1.00 0.00 O +ATOM 16395 H1 WAT 5109 16.038 31.120 61.004 1.00 0.00 H +ATOM 16396 H2 WAT 5109 16.136 32.193 62.067 1.00 0.00 H +TER +ATOM 16397 O WAT 5110 20.303 30.318 58.897 1.00 0.00 O +ATOM 16398 H1 WAT 5110 20.003 30.195 59.797 1.00 0.00 H +ATOM 16399 H2 WAT 5110 20.197 29.459 58.488 1.00 0.00 H +TER +ATOM 16400 O WAT 5111 16.196 32.855 63.975 1.00 0.00 O +ATOM 16401 H1 WAT 5111 15.759 33.035 64.807 1.00 0.00 H +ATOM 16402 H2 WAT 5111 16.764 33.612 63.833 1.00 0.00 H +TER +ATOM 16403 O WAT 5112 33.073 30.098 53.599 1.00 0.00 O +ATOM 16404 H1 WAT 5112 32.242 30.166 54.070 1.00 0.00 H +ATOM 16405 H2 WAT 5112 33.250 30.989 53.296 1.00 0.00 H +TER +ATOM 16406 O WAT 5113 32.528 26.843 56.103 1.00 0.00 O +ATOM 16407 H1 WAT 5113 33.290 27.413 56.209 1.00 0.00 H +ATOM 16408 H2 WAT 5113 32.544 26.276 56.874 1.00 0.00 H +TER +ATOM 16409 O WAT 5114 16.029 25.367 60.334 1.00 0.00 O +ATOM 16410 H1 WAT 5114 15.374 25.098 59.690 1.00 0.00 H +ATOM 16411 H2 WAT 5114 16.866 25.257 59.884 1.00 0.00 H +TER +ATOM 16412 O WAT 5115 33.534 27.698 60.947 1.00 0.00 O +ATOM 16413 H1 WAT 5115 33.905 26.915 60.541 1.00 0.00 H +ATOM 16414 H2 WAT 5115 34.174 28.387 60.769 1.00 0.00 H +TER +ATOM 16415 O WAT 5116 32.580 27.136 53.260 1.00 0.00 O +ATOM 16416 H1 WAT 5116 32.855 28.044 53.132 1.00 0.00 H +ATOM 16417 H2 WAT 5116 32.391 27.073 54.196 1.00 0.00 H +TER +ATOM 16418 O WAT 5117 28.978 20.161 54.555 1.00 0.00 O +ATOM 16419 H1 WAT 5117 29.396 19.974 53.715 1.00 0.00 H +ATOM 16420 H2 WAT 5117 28.671 19.309 54.866 1.00 0.00 H +TER +ATOM 16421 O WAT 5118 32.477 25.073 58.253 1.00 0.00 O +ATOM 16422 H1 WAT 5118 32.101 24.306 57.821 1.00 0.00 H +ATOM 16423 H2 WAT 5118 31.747 25.455 58.741 1.00 0.00 H +TER +ATOM 16424 O WAT 5119 17.066 25.752 64.874 1.00 0.00 O +ATOM 16425 H1 WAT 5119 17.434 25.665 65.754 1.00 0.00 H +ATOM 16426 H2 WAT 5119 16.497 24.989 64.775 1.00 0.00 H +TER +ATOM 16427 O WAT 5120 15.243 22.577 56.276 1.00 0.00 O +ATOM 16428 H1 WAT 5120 14.339 22.840 56.101 1.00 0.00 H +ATOM 16429 H2 WAT 5120 15.727 22.848 55.496 1.00 0.00 H +TER +ATOM 16430 O WAT 5121 31.752 23.299 61.554 1.00 0.00 O +ATOM 16431 H1 WAT 5121 32.276 22.805 60.923 1.00 0.00 H +ATOM 16432 H2 WAT 5121 32.338 23.434 62.299 1.00 0.00 H +TER +ATOM 16433 O WAT 5122 31.931 23.383 65.076 1.00 0.00 O +ATOM 16434 H1 WAT 5122 30.981 23.349 65.190 1.00 0.00 H +ATOM 16435 H2 WAT 5122 32.112 24.293 64.841 1.00 0.00 H +TER +ATOM 16436 O WAT 5123 17.785 21.633 54.186 1.00 0.00 O +ATOM 16437 H1 WAT 5123 18.494 21.211 53.700 1.00 0.00 H +ATOM 16438 H2 WAT 5123 17.069 21.701 53.554 1.00 0.00 H +TER +ATOM 16439 O WAT 5124 17.433 17.687 53.226 1.00 0.00 O +ATOM 16440 H1 WAT 5124 18.155 18.228 53.544 1.00 0.00 H +ATOM 16441 H2 WAT 5124 17.705 17.413 52.350 1.00 0.00 H +TER +ATOM 16442 O WAT 5125 31.242 22.556 57.493 1.00 0.00 O +ATOM 16443 H1 WAT 5125 31.738 22.323 58.278 1.00 0.00 H +ATOM 16444 H2 WAT 5125 31.043 21.717 57.077 1.00 0.00 H +TER +ATOM 16445 O WAT 5126 17.122 16.938 63.128 1.00 0.00 O +ATOM 16446 H1 WAT 5126 17.769 16.387 62.688 1.00 0.00 H +ATOM 16447 H2 WAT 5126 17.542 17.192 63.950 1.00 0.00 H +TER +ATOM 16448 O WAT 5127 32.671 21.192 60.027 1.00 0.00 O +ATOM 16449 H1 WAT 5127 32.560 21.038 60.965 1.00 0.00 H +ATOM 16450 H2 WAT 5127 33.431 20.664 59.784 1.00 0.00 H +TER +ATOM 16451 O WAT 5128 33.560 19.023 53.267 1.00 0.00 O +ATOM 16452 H1 WAT 5128 34.484 18.891 53.059 1.00 0.00 H +ATOM 16453 H2 WAT 5128 33.537 19.102 54.221 1.00 0.00 H +TER +ATOM 16454 O WAT 5129 33.633 19.794 55.893 1.00 0.00 O +ATOM 16455 H1 WAT 5129 32.839 19.729 56.422 1.00 0.00 H +ATOM 16456 H2 WAT 5129 33.838 20.729 55.882 1.00 0.00 H +TER +ATOM 16457 O WAT 5130 30.575 33.833 59.887 1.00 0.00 O +ATOM 16458 H1 WAT 5130 31.171 33.512 59.210 1.00 0.00 H +ATOM 16459 H2 WAT 5130 30.833 33.361 60.678 1.00 0.00 H +TER +ATOM 16460 O WAT 5131 22.182 31.821 65.637 1.00 0.00 O +ATOM 16461 H1 WAT 5131 21.941 32.089 64.750 1.00 0.00 H +ATOM 16462 H2 WAT 5131 23.122 31.992 65.692 1.00 0.00 H +TER +ATOM 16463 O WAT 5132 31.126 34.483 63.717 1.00 0.00 O +ATOM 16464 H1 WAT 5132 30.667 35.235 63.342 1.00 0.00 H +ATOM 16465 H2 WAT 5132 30.498 33.764 63.658 1.00 0.00 H +TER +ATOM 16466 O WAT 5133 21.556 32.792 62.891 1.00 0.00 O +ATOM 16467 H1 WAT 5133 22.073 32.180 62.366 1.00 0.00 H +ATOM 16468 H2 WAT 5133 22.206 33.295 63.383 1.00 0.00 H +TER +ATOM 16469 O WAT 5134 24.296 33.683 63.718 1.00 0.00 O +ATOM 16470 H1 WAT 5134 24.583 33.428 62.842 1.00 0.00 H +ATOM 16471 H2 WAT 5134 24.808 33.130 64.309 1.00 0.00 H +TER +ATOM 16472 O WAT 5135 25.513 17.422 64.298 1.00 0.00 O +ATOM 16473 H1 WAT 5135 24.730 17.896 64.578 1.00 0.00 H +ATOM 16474 H2 WAT 5135 25.220 16.517 64.189 1.00 0.00 H +TER +ATOM 16475 O WAT 5136 30.065 18.124 62.343 1.00 0.00 O +ATOM 16476 H1 WAT 5136 30.506 18.068 61.495 1.00 0.00 H +ATOM 16477 H2 WAT 5136 29.796 19.040 62.414 1.00 0.00 H +TER +ATOM 16478 O WAT 5137 31.929 17.755 60.354 1.00 0.00 O +ATOM 16479 H1 WAT 5137 31.868 16.812 60.207 1.00 0.00 H +ATOM 16480 H2 WAT 5137 32.708 17.863 60.899 1.00 0.00 H +TER +ATOM 16481 O WAT 5138 16.235 33.895 59.316 1.00 0.00 O +ATOM 16482 H1 WAT 5138 16.067 33.262 60.014 1.00 0.00 H +ATOM 16483 H2 WAT 5138 15.368 34.101 58.966 1.00 0.00 H +TER +ATOM 16484 O WAT 5139 16.857 17.726 56.819 1.00 0.00 O +ATOM 16485 H1 WAT 5139 17.615 17.839 56.246 1.00 0.00 H +ATOM 16486 H2 WAT 5139 16.395 18.563 56.774 1.00 0.00 H +TER +ATOM 16487 O WAT 5140 23.399 19.840 59.810 1.00 0.00 O +ATOM 16488 H1 WAT 5140 22.586 19.466 59.469 1.00 0.00 H +ATOM 16489 H2 WAT 5140 23.903 19.085 60.112 1.00 0.00 H +TER +ATOM 16490 O WAT 5141 27.901 16.505 61.048 1.00 0.00 O +ATOM 16491 H1 WAT 5141 28.504 17.077 61.523 1.00 0.00 H +ATOM 16492 H2 WAT 5141 27.161 17.068 60.825 1.00 0.00 H +TER +ATOM 16493 O WAT 5142 31.045 16.907 56.322 1.00 0.00 O +ATOM 16494 H1 WAT 5142 31.240 17.805 56.589 1.00 0.00 H +ATOM 16495 H2 WAT 5142 30.258 16.675 56.815 1.00 0.00 H +TER +ATOM 16496 O WAT 5143 17.841 32.588 56.761 1.00 0.00 O +ATOM 16497 H1 WAT 5143 17.316 32.969 56.057 1.00 0.00 H +ATOM 16498 H2 WAT 5143 17.765 33.213 57.482 1.00 0.00 H +TER +ATOM 16499 O WAT 5144 19.230 18.253 55.360 1.00 0.00 O +ATOM 16500 H1 WAT 5144 19.759 17.466 55.230 1.00 0.00 H +ATOM 16501 H2 WAT 5144 19.863 18.932 55.593 1.00 0.00 H +TER +ATOM 16502 O WAT 5145 21.424 17.990 58.414 1.00 0.00 O +ATOM 16503 H1 WAT 5145 20.794 17.289 58.581 1.00 0.00 H +ATOM 16504 H2 WAT 5145 20.884 18.751 58.197 1.00 0.00 H +TER +ATOM 16505 O WAT 5146 32.597 34.147 58.083 1.00 0.00 O +ATOM 16506 H1 WAT 5146 32.773 33.461 57.439 1.00 0.00 H +ATOM 16507 H2 WAT 5146 31.899 34.671 57.690 1.00 0.00 H +TER +ATOM 16508 O WAT 5147 20.440 34.536 55.636 1.00 0.00 O +ATOM 16509 H1 WAT 5147 21.172 34.252 55.089 1.00 0.00 H +ATOM 16510 H2 WAT 5147 20.699 34.298 56.526 1.00 0.00 H +TER +ATOM 16511 O WAT 5148 19.602 30.653 55.641 1.00 0.00 O +ATOM 16512 H1 WAT 5148 18.972 31.121 56.189 1.00 0.00 H +ATOM 16513 H2 WAT 5148 19.716 29.808 56.075 1.00 0.00 H +TER +ATOM 16514 O WAT 5149 27.057 24.703 41.791 1.00 0.00 O +ATOM 16515 H1 WAT 5149 26.976 23.789 41.520 1.00 0.00 H +ATOM 16516 H2 WAT 5149 26.643 25.200 41.085 1.00 0.00 H +TER +ATOM 16517 O WAT 5150 19.205 26.793 44.549 1.00 0.00 O +ATOM 16518 H1 WAT 5150 18.373 26.538 44.949 1.00 0.00 H +ATOM 16519 H2 WAT 5150 19.813 26.864 45.285 1.00 0.00 H +TER +ATOM 16520 O WAT 5151 19.185 30.827 44.745 1.00 0.00 O +ATOM 16521 H1 WAT 5151 19.488 29.937 44.566 1.00 0.00 H +ATOM 16522 H2 WAT 5151 19.929 31.384 44.517 1.00 0.00 H +TER +ATOM 16523 O WAT 5152 17.614 21.753 38.334 1.00 0.00 O +ATOM 16524 H1 WAT 5152 16.726 22.095 38.232 1.00 0.00 H +ATOM 16525 H2 WAT 5152 17.898 21.553 37.442 1.00 0.00 H +TER +ATOM 16526 O WAT 5153 16.820 19.762 46.005 1.00 0.00 O +ATOM 16527 H1 WAT 5153 16.640 18.865 46.285 1.00 0.00 H +ATOM 16528 H2 WAT 5153 16.418 20.310 46.679 1.00 0.00 H +TER +ATOM 16529 O WAT 5154 25.660 21.964 43.906 1.00 0.00 O +ATOM 16530 H1 WAT 5154 26.036 21.091 43.793 1.00 0.00 H +ATOM 16531 H2 WAT 5154 25.562 22.300 43.015 1.00 0.00 H +TER +ATOM 16532 O WAT 5155 19.790 20.337 39.367 1.00 0.00 O +ATOM 16533 H1 WAT 5155 19.897 21.237 39.674 1.00 0.00 H +ATOM 16534 H2 WAT 5155 18.880 20.288 39.077 1.00 0.00 H +TER +ATOM 16535 O WAT 5156 29.442 19.459 40.839 1.00 0.00 O +ATOM 16536 H1 WAT 5156 30.263 18.969 40.881 1.00 0.00 H +ATOM 16537 H2 WAT 5156 29.476 20.049 41.592 1.00 0.00 H +TER +ATOM 16538 O WAT 5157 17.439 22.258 44.613 1.00 0.00 O +ATOM 16539 H1 WAT 5157 18.120 22.522 45.231 1.00 0.00 H +ATOM 16540 H2 WAT 5157 17.123 21.418 44.947 1.00 0.00 H +TER +ATOM 16541 O WAT 5158 21.631 23.305 43.700 1.00 0.00 O +ATOM 16542 H1 WAT 5158 22.139 23.803 44.341 1.00 0.00 H +ATOM 16543 H2 WAT 5158 22.162 22.529 43.524 1.00 0.00 H +TER +ATOM 16544 O WAT 5159 33.732 21.476 47.403 1.00 0.00 O +ATOM 16545 H1 WAT 5159 33.027 21.864 46.884 1.00 0.00 H +ATOM 16546 H2 WAT 5159 33.998 22.171 48.005 1.00 0.00 H +TER +ATOM 16547 O WAT 5160 19.915 17.945 47.966 1.00 0.00 O +ATOM 16548 H1 WAT 5160 19.916 18.462 47.161 1.00 0.00 H +ATOM 16549 H2 WAT 5160 19.085 17.468 47.943 1.00 0.00 H +TER +ATOM 16550 O WAT 5161 21.165 27.585 46.144 1.00 0.00 O +ATOM 16551 H1 WAT 5161 20.832 28.211 46.786 1.00 0.00 H +ATOM 16552 H2 WAT 5161 21.342 28.111 45.364 1.00 0.00 H +TER +ATOM 16553 O WAT 5162 29.678 21.399 43.611 1.00 0.00 O +ATOM 16554 H1 WAT 5162 28.974 21.688 44.192 1.00 0.00 H +ATOM 16555 H2 WAT 5162 30.040 22.209 43.251 1.00 0.00 H +TER +ATOM 16556 O WAT 5163 19.596 19.656 45.973 1.00 0.00 O +ATOM 16557 H1 WAT 5163 19.938 20.500 45.679 1.00 0.00 H +ATOM 16558 H2 WAT 5163 18.658 19.804 46.090 1.00 0.00 H +TER +ATOM 16559 O WAT 5164 20.377 29.553 47.959 1.00 0.00 O +ATOM 16560 H1 WAT 5164 20.994 30.228 47.677 1.00 0.00 H +ATOM 16561 H2 WAT 5164 19.516 29.961 47.867 1.00 0.00 H +TER +ATOM 16562 O WAT 5165 32.747 20.845 44.002 1.00 0.00 O +ATOM 16563 H1 WAT 5165 31.800 20.878 44.134 1.00 0.00 H +ATOM 16564 H2 WAT 5165 33.072 21.658 44.387 1.00 0.00 H +TER +ATOM 16565 O WAT 5166 23.279 17.144 42.298 1.00 0.00 O +ATOM 16566 H1 WAT 5166 23.586 16.589 41.581 1.00 0.00 H +ATOM 16567 H2 WAT 5166 22.349 17.279 42.115 1.00 0.00 H +TER +ATOM 16568 O WAT 5167 25.654 21.481 36.031 1.00 0.00 O +ATOM 16569 H1 WAT 5167 24.714 21.642 36.116 1.00 0.00 H +ATOM 16570 H2 WAT 5167 25.972 22.199 35.484 1.00 0.00 H +TER +ATOM 16571 O WAT 5168 32.175 26.163 46.008 1.00 0.00 O +ATOM 16572 H1 WAT 5168 31.347 26.232 45.534 1.00 0.00 H +ATOM 16573 H2 WAT 5168 32.770 26.748 45.540 1.00 0.00 H +TER +ATOM 16574 O WAT 5169 29.139 22.950 46.954 1.00 0.00 O +ATOM 16575 H1 WAT 5169 28.727 23.775 47.208 1.00 0.00 H +ATOM 16576 H2 WAT 5169 28.407 22.364 46.762 1.00 0.00 H +TER +ATOM 16577 O WAT 5170 21.741 29.422 43.980 1.00 0.00 O +ATOM 16578 H1 WAT 5170 21.444 28.817 43.301 1.00 0.00 H +ATOM 16579 H2 WAT 5170 22.691 29.460 43.869 1.00 0.00 H +TER +ATOM 16580 O WAT 5171 19.986 22.510 45.596 1.00 0.00 O +ATOM 16581 H1 WAT 5171 20.537 22.619 44.821 1.00 0.00 H +ATOM 16582 H2 WAT 5171 20.500 22.884 46.311 1.00 0.00 H +TER +ATOM 16583 O WAT 5172 20.833 29.161 50.631 1.00 0.00 O +ATOM 16584 H1 WAT 5172 19.936 29.385 50.878 1.00 0.00 H +ATOM 16585 H2 WAT 5172 20.858 29.284 49.682 1.00 0.00 H +TER +ATOM 16586 O WAT 5173 19.660 26.032 49.206 1.00 0.00 O +ATOM 16587 H1 WAT 5173 19.521 26.904 49.575 1.00 0.00 H +ATOM 16588 H2 WAT 5173 18.778 25.689 49.061 1.00 0.00 H +TER +ATOM 16589 O WAT 5174 21.458 31.974 51.415 1.00 0.00 O +ATOM 16590 H1 WAT 5174 21.429 32.378 50.548 1.00 0.00 H +ATOM 16591 H2 WAT 5174 21.294 31.045 51.252 1.00 0.00 H +TER +ATOM 16592 O WAT 5175 33.409 32.757 52.711 1.00 0.00 O +ATOM 16593 H1 WAT 5175 33.885 33.235 53.390 1.00 0.00 H +ATOM 16594 H2 WAT 5175 34.030 32.688 51.986 1.00 0.00 H +TER +ATOM 16595 O WAT 5176 32.813 29.948 49.871 1.00 0.00 O +ATOM 16596 H1 WAT 5176 32.939 29.709 48.953 1.00 0.00 H +ATOM 16597 H2 WAT 5176 32.855 29.116 50.343 1.00 0.00 H +TER +ATOM 16598 O WAT 5177 32.665 22.001 50.836 1.00 0.00 O +ATOM 16599 H1 WAT 5177 32.050 22.509 50.308 1.00 0.00 H +ATOM 16600 H2 WAT 5177 32.345 21.101 50.779 1.00 0.00 H +TER +ATOM 16601 O WAT 5178 15.668 28.843 47.663 1.00 0.00 O +ATOM 16602 H1 WAT 5178 15.831 28.374 46.845 1.00 0.00 H +ATOM 16603 H2 WAT 5178 16.133 28.335 48.328 1.00 0.00 H +TER +ATOM 16604 O WAT 5179 20.440 17.974 42.699 1.00 0.00 O +ATOM 16605 H1 WAT 5179 19.996 18.755 42.367 1.00 0.00 H +ATOM 16606 H2 WAT 5179 20.998 18.297 43.406 1.00 0.00 H +TER +ATOM 16607 O WAT 5180 24.727 20.840 48.302 1.00 0.00 O +ATOM 16608 H1 WAT 5180 24.264 21.049 49.114 1.00 0.00 H +ATOM 16609 H2 WAT 5180 24.324 20.026 47.999 1.00 0.00 H +TER +ATOM 16610 O WAT 5181 29.727 22.061 49.432 1.00 0.00 O +ATOM 16611 H1 WAT 5181 28.876 21.762 49.753 1.00 0.00 H +ATOM 16612 H2 WAT 5181 29.567 22.306 48.520 1.00 0.00 H +TER +ATOM 16613 O WAT 5182 26.822 23.562 51.532 1.00 0.00 O +ATOM 16614 H1 WAT 5182 27.147 22.728 51.192 1.00 0.00 H +ATOM 16615 H2 WAT 5182 27.610 24.084 51.680 1.00 0.00 H +TER +ATOM 16616 O WAT 5183 23.555 17.595 37.579 1.00 0.00 O +ATOM 16617 H1 WAT 5183 22.931 17.591 38.305 1.00 0.00 H +ATOM 16618 H2 WAT 5183 23.468 16.728 37.183 1.00 0.00 H +TER +ATOM 16619 O WAT 5184 22.477 18.518 44.558 1.00 0.00 O +ATOM 16620 H1 WAT 5184 22.774 19.425 44.477 1.00 0.00 H +ATOM 16621 H2 WAT 5184 23.026 18.030 43.944 1.00 0.00 H +TER +ATOM 16622 O WAT 5185 20.231 23.097 40.427 1.00 0.00 O +ATOM 16623 H1 WAT 5185 20.005 22.881 41.332 1.00 0.00 H +ATOM 16624 H2 WAT 5185 19.450 23.530 40.082 1.00 0.00 H +TER +ATOM 16625 O WAT 5186 27.461 23.103 39.026 1.00 0.00 O +ATOM 16626 H1 WAT 5186 26.862 23.827 38.842 1.00 0.00 H +ATOM 16627 H2 WAT 5186 28.009 23.041 38.244 1.00 0.00 H +TER +ATOM 16628 O WAT 5187 22.671 23.996 51.093 1.00 0.00 O +ATOM 16629 H1 WAT 5187 22.575 23.055 50.943 1.00 0.00 H +ATOM 16630 H2 WAT 5187 23.514 24.217 50.698 1.00 0.00 H +TER +ATOM 16631 O WAT 5188 26.067 21.740 41.056 1.00 0.00 O +ATOM 16632 H1 WAT 5188 26.460 22.057 40.243 1.00 0.00 H +ATOM 16633 H2 WAT 5188 26.429 20.861 41.171 1.00 0.00 H +TER +ATOM 16634 O WAT 5189 17.802 20.407 49.246 1.00 0.00 O +ATOM 16635 H1 WAT 5189 17.408 21.254 49.454 1.00 0.00 H +ATOM 16636 H2 WAT 5189 17.114 19.770 49.437 1.00 0.00 H +TER +ATOM 16637 O WAT 5190 24.376 20.490 52.316 1.00 0.00 O +ATOM 16638 H1 WAT 5190 23.686 20.298 52.951 1.00 0.00 H +ATOM 16639 H2 WAT 5190 25.120 20.774 52.849 1.00 0.00 H +TER +ATOM 16640 O WAT 5191 15.104 18.330 43.279 1.00 0.00 O +ATOM 16641 H1 WAT 5191 14.815 18.900 43.992 1.00 0.00 H +ATOM 16642 H2 WAT 5191 15.848 17.850 43.643 1.00 0.00 H +TER +ATOM 16643 O WAT 5192 15.291 22.272 34.490 1.00 0.00 O +ATOM 16644 H1 WAT 5192 15.208 23.215 34.631 1.00 0.00 H +ATOM 16645 H2 WAT 5192 14.939 22.129 33.611 1.00 0.00 H +TER +ATOM 16646 O WAT 5193 23.090 21.006 43.557 1.00 0.00 O +ATOM 16647 H1 WAT 5193 23.094 20.565 42.707 1.00 0.00 H +ATOM 16648 H2 WAT 5193 23.986 21.327 43.664 1.00 0.00 H +TER +ATOM 16649 O WAT 5194 18.941 20.888 42.516 1.00 0.00 O +ATOM 16650 H1 WAT 5194 18.601 21.366 43.273 1.00 0.00 H +ATOM 16651 H2 WAT 5194 18.178 20.435 42.156 1.00 0.00 H +TER +ATOM 16652 O WAT 5195 23.152 22.007 36.547 1.00 0.00 O +ATOM 16653 H1 WAT 5195 23.274 21.965 37.496 1.00 0.00 H +ATOM 16654 H2 WAT 5195 22.767 22.869 36.392 1.00 0.00 H +TER +ATOM 16655 O WAT 5196 27.115 19.784 44.564 1.00 0.00 O +ATOM 16656 H1 WAT 5196 27.133 20.234 45.408 1.00 0.00 H +ATOM 16657 H2 WAT 5196 26.867 18.884 44.777 1.00 0.00 H +TER +ATOM 16658 O WAT 5197 30.542 17.197 50.402 1.00 0.00 O +ATOM 16659 H1 WAT 5197 30.867 16.466 50.928 1.00 0.00 H +ATOM 16660 H2 WAT 5197 30.578 16.878 49.501 1.00 0.00 H +TER +ATOM 16661 O WAT 5198 17.242 28.218 49.822 1.00 0.00 O +ATOM 16662 H1 WAT 5198 16.857 27.578 50.421 1.00 0.00 H +ATOM 16663 H2 WAT 5198 17.553 28.922 50.392 1.00 0.00 H +TER +ATOM 16664 O WAT 5199 23.391 25.066 45.303 1.00 0.00 O +ATOM 16665 H1 WAT 5199 23.758 24.592 46.049 1.00 0.00 H +ATOM 16666 H2 WAT 5199 23.202 25.940 45.644 1.00 0.00 H +TER +ATOM 16667 O WAT 5200 16.255 19.810 41.433 1.00 0.00 O +ATOM 16668 H1 WAT 5200 15.970 19.446 42.270 1.00 0.00 H +ATOM 16669 H2 WAT 5200 16.193 19.078 40.819 1.00 0.00 H +TER +ATOM 16670 O WAT 5201 21.181 24.107 47.622 1.00 0.00 O +ATOM 16671 H1 WAT 5201 20.877 24.986 47.847 1.00 0.00 H +ATOM 16672 H2 WAT 5201 22.136 24.167 47.657 1.00 0.00 H +TER +ATOM 16673 O WAT 5202 30.468 27.309 44.011 1.00 0.00 O +ATOM 16674 H1 WAT 5202 31.188 27.805 43.621 1.00 0.00 H +ATOM 16675 H2 WAT 5202 30.266 26.631 43.366 1.00 0.00 H +TER +ATOM 16676 O WAT 5203 25.929 18.703 38.154 1.00 0.00 O +ATOM 16677 H1 WAT 5203 25.116 18.204 38.078 1.00 0.00 H +ATOM 16678 H2 WAT 5203 25.735 19.543 37.738 1.00 0.00 H +TER +ATOM 16679 O WAT 5204 25.850 27.380 49.898 1.00 0.00 O +ATOM 16680 H1 WAT 5204 25.784 26.460 49.644 1.00 0.00 H +ATOM 16681 H2 WAT 5204 25.221 27.478 50.612 1.00 0.00 H +TER +ATOM 16682 O WAT 5205 17.238 24.947 48.769 1.00 0.00 O +ATOM 16683 H1 WAT 5205 16.879 25.612 49.356 1.00 0.00 H +ATOM 16684 H2 WAT 5205 16.943 24.115 49.140 1.00 0.00 H +TER +ATOM 16685 O WAT 5206 20.439 25.405 51.653 1.00 0.00 O +ATOM 16686 H1 WAT 5206 20.139 25.551 50.756 1.00 0.00 H +ATOM 16687 H2 WAT 5206 21.210 24.846 51.560 1.00 0.00 H +TER +ATOM 16688 O WAT 5207 25.782 30.202 49.648 1.00 0.00 O +ATOM 16689 H1 WAT 5207 25.796 29.270 49.430 1.00 0.00 H +ATOM 16690 H2 WAT 5207 25.074 30.288 50.287 1.00 0.00 H +TER +ATOM 16691 O WAT 5208 31.993 26.843 48.995 1.00 0.00 O +ATOM 16692 H1 WAT 5208 31.268 27.436 48.798 1.00 0.00 H +ATOM 16693 H2 WAT 5208 32.520 26.835 48.196 1.00 0.00 H +TER +ATOM 16694 O WAT 5209 15.748 24.946 35.392 1.00 0.00 O +ATOM 16695 H1 WAT 5209 16.618 25.229 35.676 1.00 0.00 H +ATOM 16696 H2 WAT 5209 15.257 25.760 35.277 1.00 0.00 H +TER +ATOM 16697 O WAT 5210 25.215 31.844 46.742 1.00 0.00 O +ATOM 16698 H1 WAT 5210 25.859 32.050 47.420 1.00 0.00 H +ATOM 16699 H2 WAT 5210 25.578 31.083 46.289 1.00 0.00 H +TER +ATOM 16700 O WAT 5211 18.813 16.677 39.985 1.00 0.00 O +ATOM 16701 H1 WAT 5211 18.685 16.669 40.934 1.00 0.00 H +ATOM 16702 H2 WAT 5211 17.989 17.015 39.634 1.00 0.00 H +TER +ATOM 16703 O WAT 5212 28.262 30.647 48.664 1.00 0.00 O +ATOM 16704 H1 WAT 5212 28.598 31.233 49.341 1.00 0.00 H +ATOM 16705 H2 WAT 5212 27.342 30.516 48.893 1.00 0.00 H +TER +ATOM 16706 O WAT 5213 16.116 34.159 35.958 1.00 0.00 O +ATOM 16707 H1 WAT 5213 16.475 34.758 35.304 1.00 0.00 H +ATOM 16708 H2 WAT 5213 15.975 34.705 36.732 1.00 0.00 H +TER +ATOM 16709 O WAT 5214 15.812 18.436 49.446 1.00 0.00 O +ATOM 16710 H1 WAT 5214 15.098 18.636 50.051 1.00 0.00 H +ATOM 16711 H2 WAT 5214 16.232 17.660 49.818 1.00 0.00 H +TER +ATOM 16712 O WAT 5215 16.100 32.424 50.433 1.00 0.00 O +ATOM 16713 H1 WAT 5215 16.209 31.484 50.292 1.00 0.00 H +ATOM 16714 H2 WAT 5215 15.448 32.690 49.784 1.00 0.00 H +TER +ATOM 16715 O WAT 5216 24.091 30.696 51.832 1.00 0.00 O +ATOM 16716 H1 WAT 5216 23.771 29.977 52.377 1.00 0.00 H +ATOM 16717 H2 WAT 5216 23.417 31.371 51.906 1.00 0.00 H +TER +ATOM 16718 O WAT 5217 27.306 20.929 47.196 1.00 0.00 O +ATOM 16719 H1 WAT 5217 27.674 20.108 47.524 1.00 0.00 H +ATOM 16720 H2 WAT 5217 26.446 20.989 47.612 1.00 0.00 H +TER +ATOM 16721 O WAT 5218 22.641 22.163 39.421 1.00 0.00 O +ATOM 16722 H1 WAT 5218 21.933 22.631 39.862 1.00 0.00 H +ATOM 16723 H2 WAT 5218 22.925 21.505 40.055 1.00 0.00 H +TER +ATOM 16724 O WAT 5219 24.267 23.582 47.420 1.00 0.00 O +ATOM 16725 H1 WAT 5219 24.765 24.057 48.085 1.00 0.00 H +ATOM 16726 H2 WAT 5219 24.409 22.659 47.627 1.00 0.00 H +TER +ATOM 16727 O WAT 5220 26.672 18.888 40.860 1.00 0.00 O +ATOM 16728 H1 WAT 5220 26.549 18.906 39.911 1.00 0.00 H +ATOM 16729 H2 WAT 5220 27.621 18.936 40.980 1.00 0.00 H +TER +ATOM 16730 O WAT 5221 20.844 20.471 36.796 1.00 0.00 O +ATOM 16731 H1 WAT 5221 21.693 20.908 36.730 1.00 0.00 H +ATOM 16732 H2 WAT 5221 20.478 20.783 37.623 1.00 0.00 H +TER +ATOM 16733 O WAT 5222 31.473 19.799 48.263 1.00 0.00 O +ATOM 16734 H1 WAT 5222 30.971 20.540 48.602 1.00 0.00 H +ATOM 16735 H2 WAT 5222 32.289 20.188 47.946 1.00 0.00 H +TER +ATOM 16736 O WAT 5223 18.246 33.491 52.245 1.00 0.00 O +ATOM 16737 H1 WAT 5223 19.047 33.812 52.658 1.00 0.00 H +ATOM 16738 H2 WAT 5223 17.731 33.131 52.967 1.00 0.00 H +TER +ATOM 16739 O WAT 5224 27.082 29.599 52.192 1.00 0.00 O +ATOM 16740 H1 WAT 5224 26.476 29.622 51.452 1.00 0.00 H +ATOM 16741 H2 WAT 5224 26.777 28.867 52.729 1.00 0.00 H +TER +ATOM 16742 O WAT 5225 28.512 33.327 50.803 1.00 0.00 O +ATOM 16743 H1 WAT 5225 29.464 33.243 50.753 1.00 0.00 H +ATOM 16744 H2 WAT 5225 28.365 33.991 51.477 1.00 0.00 H +TER +ATOM 16745 O WAT 5226 15.965 25.979 51.188 1.00 0.00 O +ATOM 16746 H1 WAT 5226 16.469 25.399 51.760 1.00 0.00 H +ATOM 16747 H2 WAT 5226 15.226 26.263 51.726 1.00 0.00 H +TER +ATOM 16748 O WAT 5227 23.019 27.386 50.722 1.00 0.00 O +ATOM 16749 H1 WAT 5227 22.254 27.954 50.637 1.00 0.00 H +ATOM 16750 H2 WAT 5227 23.201 27.093 49.829 1.00 0.00 H +TER +ATOM 16751 O WAT 5228 30.161 29.116 51.279 1.00 0.00 O +ATOM 16752 H1 WAT 5228 30.902 29.454 50.776 1.00 0.00 H +ATOM 16753 H2 WAT 5228 29.399 29.285 50.726 1.00 0.00 H +TER +ATOM 16754 O WAT 5229 17.998 24.121 52.083 1.00 0.00 O +ATOM 16755 H1 WAT 5229 18.038 23.823 52.992 1.00 0.00 H +ATOM 16756 H2 WAT 5229 18.852 24.522 51.924 1.00 0.00 H +TER +ATOM 16757 O WAT 5230 19.938 22.701 50.051 1.00 0.00 O +ATOM 16758 H1 WAT 5230 19.408 22.210 49.423 1.00 0.00 H +ATOM 16759 H2 WAT 5230 20.607 23.129 49.516 1.00 0.00 H +TER +ATOM 16760 O WAT 5231 28.836 27.168 49.815 1.00 0.00 O +ATOM 16761 H1 WAT 5231 29.250 27.322 50.664 1.00 0.00 H +ATOM 16762 H2 WAT 5231 27.901 27.293 49.977 1.00 0.00 H +TER +ATOM 16763 O WAT 5232 29.308 24.507 51.819 1.00 0.00 O +ATOM 16764 H1 WAT 5232 29.890 23.752 51.731 1.00 0.00 H +ATOM 16765 H2 WAT 5232 29.484 25.038 51.042 1.00 0.00 H +TER +ATOM 16766 O WAT 5233 20.425 19.667 50.130 1.00 0.00 O +ATOM 16767 H1 WAT 5233 20.331 19.049 49.406 1.00 0.00 H +ATOM 16768 H2 WAT 5233 19.845 20.394 49.903 1.00 0.00 H +TER +ATOM 16769 O WAT 5234 23.192 18.224 47.163 1.00 0.00 O +ATOM 16770 H1 WAT 5234 22.743 18.247 46.318 1.00 0.00 H +ATOM 16771 H2 WAT 5234 22.558 17.826 47.760 1.00 0.00 H +TER +ATOM 16772 O WAT 5235 23.598 27.120 47.784 1.00 0.00 O +ATOM 16773 H1 WAT 5235 24.016 27.963 47.612 1.00 0.00 H +ATOM 16774 H2 WAT 5235 22.678 27.257 47.555 1.00 0.00 H +TER +ATOM 16775 O WAT 5236 25.934 24.851 49.168 1.00 0.00 O +ATOM 16776 H1 WAT 5236 26.054 24.255 49.908 1.00 0.00 H +ATOM 16777 H2 WAT 5236 26.793 24.888 48.748 1.00 0.00 H +TER +ATOM 16778 O WAT 5237 28.273 25.405 47.744 1.00 0.00 O +ATOM 16779 H1 WAT 5237 27.746 25.929 47.141 1.00 0.00 H +ATOM 16780 H2 WAT 5237 28.616 26.038 48.375 1.00 0.00 H +TER +ATOM 16781 O WAT 5238 21.448 33.425 48.900 1.00 0.00 O +ATOM 16782 H1 WAT 5238 20.910 34.150 48.581 1.00 0.00 H +ATOM 16783 H2 WAT 5238 21.702 32.948 48.110 1.00 0.00 H +TER +ATOM 16784 O WAT 5239 22.701 21.393 50.426 1.00 0.00 O +ATOM 16785 H1 WAT 5239 23.291 21.085 51.114 1.00 0.00 H +ATOM 16786 H2 WAT 5239 21.883 20.921 50.582 1.00 0.00 H +TER +ATOM 16787 O WAT 5240 27.520 21.010 50.659 1.00 0.00 O +ATOM 16788 H1 WAT 5240 26.832 20.348 50.594 1.00 0.00 H +ATOM 16789 H2 WAT 5240 28.241 20.564 51.104 1.00 0.00 H +TER +ATOM 16790 O WAT 5241 19.470 19.894 34.177 1.00 0.00 O +ATOM 16791 H1 WAT 5241 19.772 19.901 33.269 1.00 0.00 H +ATOM 16792 H2 WAT 5241 20.209 19.544 34.674 1.00 0.00 H +TER +ATOM 16793 O WAT 5242 22.688 18.838 35.163 1.00 0.00 O +ATOM 16794 H1 WAT 5242 22.340 18.160 34.583 1.00 0.00 H +ATOM 16795 H2 WAT 5242 22.889 18.377 35.977 1.00 0.00 H +TER +ATOM 16796 O WAT 5243 15.707 31.988 42.462 1.00 0.00 O +ATOM 16797 H1 WAT 5243 16.038 31.120 42.230 1.00 0.00 H +ATOM 16798 H2 WAT 5243 16.136 32.193 43.293 1.00 0.00 H +TER +ATOM 16799 O WAT 5244 16.196 32.855 45.200 1.00 0.00 O +ATOM 16800 H1 WAT 5244 15.759 33.035 46.033 1.00 0.00 H +ATOM 16801 H2 WAT 5244 16.764 33.612 45.059 1.00 0.00 H +TER +ATOM 16802 O WAT 5245 31.832 32.356 49.488 1.00 0.00 O +ATOM 16803 H1 WAT 5245 31.233 32.416 48.745 1.00 0.00 H +ATOM 16804 H2 WAT 5245 31.962 31.417 49.618 1.00 0.00 H +TER +ATOM 16805 O WAT 5246 33.534 27.698 42.173 1.00 0.00 O +ATOM 16806 H1 WAT 5246 33.905 26.915 41.766 1.00 0.00 H +ATOM 16807 H2 WAT 5246 34.174 28.387 41.994 1.00 0.00 H +TER +ATOM 16808 O WAT 5247 30.518 29.082 47.586 1.00 0.00 O +ATOM 16809 H1 WAT 5247 29.704 29.511 47.848 1.00 0.00 H +ATOM 16810 H2 WAT 5247 30.925 29.693 46.973 1.00 0.00 H +TER +ATOM 16811 O WAT 5248 31.867 24.220 49.113 1.00 0.00 O +ATOM 16812 H1 WAT 5248 31.635 23.992 48.212 1.00 0.00 H +ATOM 16813 H2 WAT 5248 32.127 25.140 49.067 1.00 0.00 H +TER +ATOM 16814 O WAT 5249 16.618 22.663 50.005 1.00 0.00 O +ATOM 16815 H1 WAT 5249 15.723 22.630 50.345 1.00 0.00 H +ATOM 16816 H2 WAT 5249 17.158 22.862 50.771 1.00 0.00 H +TER +ATOM 16817 O WAT 5250 30.305 19.446 51.891 1.00 0.00 O +ATOM 16818 H1 WAT 5250 31.183 19.454 52.274 1.00 0.00 H +ATOM 16819 H2 WAT 5250 30.318 18.709 51.280 1.00 0.00 H +TER +ATOM 16820 O WAT 5251 15.243 22.577 37.502 1.00 0.00 O +ATOM 16821 H1 WAT 5251 14.339 22.840 37.327 1.00 0.00 H +ATOM 16822 H2 WAT 5251 15.727 22.848 36.722 1.00 0.00 H +TER +ATOM 16823 O WAT 5252 31.752 23.299 42.779 1.00 0.00 O +ATOM 16824 H1 WAT 5252 32.276 22.805 42.148 1.00 0.00 H +ATOM 16825 H2 WAT 5252 32.338 23.434 43.524 1.00 0.00 H +TER +ATOM 16826 O WAT 5253 31.931 23.383 46.301 1.00 0.00 O +ATOM 16827 H1 WAT 5253 30.981 23.349 46.416 1.00 0.00 H +ATOM 16828 H2 WAT 5253 32.112 24.293 46.066 1.00 0.00 H +TER +ATOM 16829 O WAT 5254 17.785 21.633 35.411 1.00 0.00 O +ATOM 16830 H1 WAT 5254 18.494 21.211 34.926 1.00 0.00 H +ATOM 16831 H2 WAT 5254 17.069 21.701 34.780 1.00 0.00 H +TER +ATOM 16832 O WAT 5255 17.433 17.687 34.452 1.00 0.00 O +ATOM 16833 H1 WAT 5255 18.155 18.228 34.770 1.00 0.00 H +ATOM 16834 H2 WAT 5255 17.705 17.413 33.576 1.00 0.00 H +TER +ATOM 16835 O WAT 5256 17.122 16.938 44.354 1.00 0.00 O +ATOM 16836 H1 WAT 5256 17.769 16.387 43.913 1.00 0.00 H +ATOM 16837 H2 WAT 5256 17.542 17.192 45.175 1.00 0.00 H +TER +ATOM 16838 O WAT 5257 32.671 21.192 41.252 1.00 0.00 O +ATOM 16839 H1 WAT 5257 32.560 21.038 42.191 1.00 0.00 H +ATOM 16840 H2 WAT 5257 33.431 20.664 41.010 1.00 0.00 H +TER +ATOM 16841 O WAT 5258 31.017 17.132 47.711 1.00 0.00 O +ATOM 16842 H1 WAT 5258 31.654 17.745 48.077 1.00 0.00 H +ATOM 16843 H2 WAT 5258 31.165 17.168 46.766 1.00 0.00 H +TER +ATOM 16844 O WAT 5259 16.875 17.093 47.096 1.00 0.00 O +ATOM 16845 H1 WAT 5259 16.527 17.550 47.862 1.00 0.00 H +ATOM 16846 H2 WAT 5259 16.544 16.199 47.179 1.00 0.00 H +TER +ATOM 16847 O WAT 5260 18.482 30.265 51.262 1.00 0.00 O +ATOM 16848 H1 WAT 5260 18.438 29.894 52.143 1.00 0.00 H +ATOM 16849 H2 WAT 5260 18.613 31.203 51.402 1.00 0.00 H +TER +ATOM 16850 O WAT 5261 22.182 31.821 46.863 1.00 0.00 O +ATOM 16851 H1 WAT 5261 21.941 32.089 45.976 1.00 0.00 H +ATOM 16852 H2 WAT 5261 23.122 31.992 46.918 1.00 0.00 H +TER +ATOM 16853 O WAT 5262 24.388 18.284 50.618 1.00 0.00 O +ATOM 16854 H1 WAT 5262 24.326 18.877 51.368 1.00 0.00 H +ATOM 16855 H2 WAT 5262 25.328 18.177 50.473 1.00 0.00 H +TER +ATOM 16856 O WAT 5263 27.025 17.941 50.257 1.00 0.00 O +ATOM 16857 H1 WAT 5263 27.639 18.259 49.596 1.00 0.00 H +ATOM 16858 H2 WAT 5263 27.570 17.456 50.877 1.00 0.00 H +TER +ATOM 16859 O WAT 5264 33.443 33.841 47.664 1.00 0.00 O +ATOM 16860 H1 WAT 5264 32.948 34.237 46.946 1.00 0.00 H +ATOM 16861 H2 WAT 5264 32.834 33.216 48.057 1.00 0.00 H +TER +ATOM 16862 O WAT 5265 17.547 16.621 50.371 1.00 0.00 O +ATOM 16863 H1 WAT 5265 18.095 16.440 49.608 1.00 0.00 H +ATOM 16864 H2 WAT 5265 17.613 15.830 50.907 1.00 0.00 H +TER +ATOM 16865 O WAT 5266 18.320 33.211 48.381 1.00 0.00 O +ATOM 16866 H1 WAT 5266 17.726 33.080 49.120 1.00 0.00 H +ATOM 16867 H2 WAT 5266 18.313 32.375 47.916 1.00 0.00 H +TER +ATOM 16868 O WAT 5267 27.766 16.505 46.584 1.00 0.00 O +ATOM 16869 H1 WAT 5267 26.892 16.838 46.382 1.00 0.00 H +ATOM 16870 H2 WAT 5267 27.657 16.032 47.410 1.00 0.00 H +TER +ATOM 16871 O WAT 5268 28.673 18.712 47.969 1.00 0.00 O +ATOM 16872 H1 WAT 5268 28.344 17.897 47.589 1.00 0.00 H +ATOM 16873 H2 WAT 5268 29.621 18.669 47.845 1.00 0.00 H +TER +ATOM 16874 O WAT 5269 17.952 30.577 47.332 1.00 0.00 O +ATOM 16875 H1 WAT 5269 17.225 29.958 47.265 1.00 0.00 H +ATOM 16876 H2 WAT 5269 18.012 30.971 46.462 1.00 0.00 H +TER +ATOM 16877 O WAT 5270 21.556 32.792 44.117 1.00 0.00 O +ATOM 16878 H1 WAT 5270 22.073 32.180 43.592 1.00 0.00 H +ATOM 16879 H2 WAT 5270 22.206 33.295 44.608 1.00 0.00 H +TER +ATOM 16880 O WAT 5271 25.513 17.422 45.524 1.00 0.00 O +ATOM 16881 H1 WAT 5271 24.730 17.896 45.803 1.00 0.00 H +ATOM 16882 H2 WAT 5271 25.220 16.517 45.415 1.00 0.00 H +TER +ATOM 16883 O WAT 5272 30.065 18.124 43.569 1.00 0.00 O +ATOM 16884 H1 WAT 5272 30.506 18.068 42.721 1.00 0.00 H +ATOM 16885 H2 WAT 5272 29.796 19.040 43.640 1.00 0.00 H +TER +ATOM 16886 O WAT 5273 16.235 33.895 40.542 1.00 0.00 O +ATOM 16887 H1 WAT 5273 16.067 33.262 41.240 1.00 0.00 H +ATOM 16888 H2 WAT 5273 15.368 34.101 40.191 1.00 0.00 H +TER +ATOM 16889 O WAT 5274 16.857 17.726 38.045 1.00 0.00 O +ATOM 16890 H1 WAT 5274 17.615 17.839 37.471 1.00 0.00 H +ATOM 16891 H2 WAT 5274 16.395 18.563 37.999 1.00 0.00 H +TER +ATOM 16892 O WAT 5275 23.399 19.840 41.035 1.00 0.00 O +ATOM 16893 H1 WAT 5275 22.586 19.466 40.695 1.00 0.00 H +ATOM 16894 H2 WAT 5275 23.903 19.085 41.337 1.00 0.00 H +TER +ATOM 16895 O WAT 5276 27.901 16.505 42.274 1.00 0.00 O +ATOM 16896 H1 WAT 5276 28.504 17.077 42.748 1.00 0.00 H +ATOM 16897 H2 WAT 5276 27.161 17.068 42.051 1.00 0.00 H +TER +ATOM 16898 O WAT 5277 19.230 18.253 36.585 1.00 0.00 O +ATOM 16899 H1 WAT 5277 19.759 17.466 36.456 1.00 0.00 H +ATOM 16900 H2 WAT 5277 19.863 18.932 36.819 1.00 0.00 H +TER +ATOM 16901 O WAT 5278 21.424 17.990 39.640 1.00 0.00 O +ATOM 16902 H1 WAT 5278 20.794 17.289 39.807 1.00 0.00 H +ATOM 16903 H2 WAT 5278 20.884 18.751 39.423 1.00 0.00 H +TER +ATOM 16904 O WAT 5279 24.363 34.604 52.311 1.00 0.00 O +ATOM 16905 H1 WAT 5279 25.290 34.369 52.354 1.00 0.00 H +ATOM 16906 H2 WAT 5279 24.348 35.431 51.829 1.00 0.00 H +TER +ATOM 16907 O WAT 5280 21.549 17.269 52.075 1.00 0.00 O +ATOM 16908 H1 WAT 5280 21.268 17.772 51.311 1.00 0.00 H +ATOM 16909 H2 WAT 5280 21.931 16.471 51.709 1.00 0.00 H +TER +ATOM 16910 O WAT 5281 28.151 16.684 52.653 1.00 0.00 O +ATOM 16911 H1 WAT 5281 28.037 17.004 53.548 1.00 0.00 H +ATOM 16912 H2 WAT 5281 28.968 17.085 52.357 1.00 0.00 H +TER +ATOM 16913 O WAT 5282 30.931 33.831 52.135 1.00 0.00 O +ATOM 16914 H1 WAT 5282 31.723 33.336 51.928 1.00 0.00 H +ATOM 16915 H2 WAT 5282 31.224 34.510 52.743 1.00 0.00 H +TER +ATOM 16916 O WAT 5283 17.614 21.753 19.559 1.00 0.00 O +ATOM 16917 H1 WAT 5283 16.726 22.095 19.457 1.00 0.00 H +ATOM 16918 H2 WAT 5283 17.898 21.553 18.667 1.00 0.00 H +TER +ATOM 16919 O WAT 5284 15.577 24.354 25.443 1.00 0.00 O +ATOM 16920 H1 WAT 5284 16.149 23.586 25.444 1.00 0.00 H +ATOM 16921 H2 WAT 5284 15.578 24.653 24.534 1.00 0.00 H +TER +ATOM 16922 O WAT 5285 16.820 19.762 27.230 1.00 0.00 O +ATOM 16923 H1 WAT 5285 16.640 18.865 27.510 1.00 0.00 H +ATOM 16924 H2 WAT 5285 16.418 20.310 27.905 1.00 0.00 H +TER +ATOM 16925 O WAT 5286 19.790 20.337 20.593 1.00 0.00 O +ATOM 16926 H1 WAT 5286 19.897 21.237 20.900 1.00 0.00 H +ATOM 16927 H2 WAT 5286 18.880 20.288 20.303 1.00 0.00 H +TER +ATOM 16928 O WAT 5287 29.442 19.459 22.064 1.00 0.00 O +ATOM 16929 H1 WAT 5287 30.263 18.969 22.107 1.00 0.00 H +ATOM 16930 H2 WAT 5287 29.476 20.049 22.817 1.00 0.00 H +TER +ATOM 16931 O WAT 5288 17.439 22.258 25.838 1.00 0.00 O +ATOM 16932 H1 WAT 5288 18.120 22.522 26.457 1.00 0.00 H +ATOM 16933 H2 WAT 5288 17.123 21.418 26.172 1.00 0.00 H +TER +ATOM 16934 O WAT 5289 19.915 17.945 29.192 1.00 0.00 O +ATOM 16935 H1 WAT 5289 19.916 18.462 28.387 1.00 0.00 H +ATOM 16936 H2 WAT 5289 19.085 17.468 29.169 1.00 0.00 H +TER +ATOM 16937 O WAT 5290 29.678 21.399 24.837 1.00 0.00 O +ATOM 16938 H1 WAT 5290 28.974 21.688 25.417 1.00 0.00 H +ATOM 16939 H2 WAT 5290 30.040 22.209 24.477 1.00 0.00 H +TER +ATOM 16940 O WAT 5291 19.596 19.656 27.199 1.00 0.00 O +ATOM 16941 H1 WAT 5291 19.938 20.500 26.904 1.00 0.00 H +ATOM 16942 H2 WAT 5291 18.658 19.804 27.316 1.00 0.00 H +TER +ATOM 16943 O WAT 5292 15.670 28.743 18.065 1.00 0.00 O +ATOM 16944 H1 WAT 5292 15.293 29.231 17.333 1.00 0.00 H +ATOM 16945 H2 WAT 5292 15.927 29.415 18.696 1.00 0.00 H +TER +ATOM 16946 O WAT 5293 32.747 20.845 25.228 1.00 0.00 O +ATOM 16947 H1 WAT 5293 31.800 20.878 25.359 1.00 0.00 H +ATOM 16948 H2 WAT 5293 33.072 21.658 25.613 1.00 0.00 H +TER +ATOM 16949 O WAT 5294 23.279 17.144 23.524 1.00 0.00 O +ATOM 16950 H1 WAT 5294 23.586 16.589 22.807 1.00 0.00 H +ATOM 16951 H2 WAT 5294 22.349 17.279 23.341 1.00 0.00 H +TER +ATOM 16952 O WAT 5295 25.667 25.209 20.260 1.00 0.00 O +ATOM 16953 H1 WAT 5295 24.740 25.143 20.488 1.00 0.00 H +ATOM 16954 H2 WAT 5295 25.820 26.147 20.145 1.00 0.00 H +TER +ATOM 16955 O WAT 5296 25.654 21.481 17.256 1.00 0.00 O +ATOM 16956 H1 WAT 5296 24.714 21.642 17.341 1.00 0.00 H +ATOM 16957 H2 WAT 5296 25.972 22.199 16.710 1.00 0.00 H +TER +ATOM 16958 O WAT 5297 29.139 22.950 28.180 1.00 0.00 O +ATOM 16959 H1 WAT 5297 28.727 23.775 28.434 1.00 0.00 H +ATOM 16960 H2 WAT 5297 28.407 22.364 27.987 1.00 0.00 H +TER +ATOM 16961 O WAT 5298 19.986 22.510 26.821 1.00 0.00 O +ATOM 16962 H1 WAT 5298 20.537 22.619 26.047 1.00 0.00 H +ATOM 16963 H2 WAT 5298 20.500 22.884 27.537 1.00 0.00 H +TER +ATOM 16964 O WAT 5299 27.873 26.010 17.770 1.00 0.00 O +ATOM 16965 H1 WAT 5299 28.313 25.172 17.624 1.00 0.00 H +ATOM 16966 H2 WAT 5299 28.586 26.643 17.857 1.00 0.00 H +TER +ATOM 16967 O WAT 5300 31.455 17.264 16.084 1.00 0.00 O +ATOM 16968 H1 WAT 5300 31.142 17.357 16.984 1.00 0.00 H +ATOM 16969 H2 WAT 5300 32.216 17.842 16.034 1.00 0.00 H +TER +ATOM 16970 O WAT 5301 17.973 24.630 20.542 1.00 0.00 O +ATOM 16971 H1 WAT 5301 17.853 25.356 19.930 1.00 0.00 H +ATOM 16972 H2 WAT 5301 17.663 23.860 20.065 1.00 0.00 H +TER +ATOM 16973 O WAT 5302 15.668 28.843 28.888 1.00 0.00 O +ATOM 16974 H1 WAT 5302 15.831 28.374 28.070 1.00 0.00 H +ATOM 16975 H2 WAT 5302 16.133 28.335 29.553 1.00 0.00 H +TER +ATOM 16976 O WAT 5303 20.440 17.974 23.925 1.00 0.00 O +ATOM 16977 H1 WAT 5303 19.996 18.755 23.593 1.00 0.00 H +ATOM 16978 H2 WAT 5303 20.998 18.297 24.632 1.00 0.00 H +TER +ATOM 16979 O WAT 5304 24.727 20.840 29.528 1.00 0.00 O +ATOM 16980 H1 WAT 5304 24.264 21.049 30.340 1.00 0.00 H +ATOM 16981 H2 WAT 5304 24.324 20.026 29.225 1.00 0.00 H +TER +ATOM 16982 O WAT 5305 29.727 22.061 30.658 1.00 0.00 O +ATOM 16983 H1 WAT 5305 28.876 21.762 30.979 1.00 0.00 H +ATOM 16984 H2 WAT 5305 29.567 22.306 29.746 1.00 0.00 H +TER +ATOM 16985 O WAT 5306 23.555 17.595 18.805 1.00 0.00 O +ATOM 16986 H1 WAT 5306 22.931 17.591 19.530 1.00 0.00 H +ATOM 16987 H2 WAT 5306 23.468 16.728 18.409 1.00 0.00 H +TER +ATOM 16988 O WAT 5307 22.477 18.518 25.783 1.00 0.00 O +ATOM 16989 H1 WAT 5307 22.774 19.425 25.703 1.00 0.00 H +ATOM 16990 H2 WAT 5307 23.026 18.030 25.169 1.00 0.00 H +TER +ATOM 16991 O WAT 5308 20.231 23.097 21.653 1.00 0.00 O +ATOM 16992 H1 WAT 5308 20.005 22.881 22.557 1.00 0.00 H +ATOM 16993 H2 WAT 5308 19.450 23.530 21.307 1.00 0.00 H +TER +ATOM 16994 O WAT 5309 27.461 23.103 20.252 1.00 0.00 O +ATOM 16995 H1 WAT 5309 26.862 23.827 20.068 1.00 0.00 H +ATOM 16996 H2 WAT 5309 28.009 23.041 19.469 1.00 0.00 H +TER +ATOM 16997 O WAT 5310 26.067 21.740 22.282 1.00 0.00 O +ATOM 16998 H1 WAT 5310 26.460 22.057 21.469 1.00 0.00 H +ATOM 16999 H2 WAT 5310 26.429 20.861 22.396 1.00 0.00 H +TER +ATOM 17000 O WAT 5311 17.802 20.407 30.472 1.00 0.00 O +ATOM 17001 H1 WAT 5311 17.408 21.254 30.679 1.00 0.00 H +ATOM 17002 H2 WAT 5311 17.114 19.770 30.663 1.00 0.00 H +TER +ATOM 17003 O WAT 5312 24.376 20.490 33.542 1.00 0.00 O +ATOM 17004 H1 WAT 5312 23.686 20.298 34.176 1.00 0.00 H +ATOM 17005 H2 WAT 5312 25.120 20.774 34.074 1.00 0.00 H +TER +ATOM 17006 O WAT 5313 15.104 18.330 24.505 1.00 0.00 O +ATOM 17007 H1 WAT 5313 14.815 18.900 25.218 1.00 0.00 H +ATOM 17008 H2 WAT 5313 15.848 17.850 24.868 1.00 0.00 H +TER +ATOM 17009 O WAT 5314 15.291 22.272 15.715 1.00 0.00 O +ATOM 17010 H1 WAT 5314 15.208 23.215 15.857 1.00 0.00 H +ATOM 17011 H2 WAT 5314 14.939 22.129 14.837 1.00 0.00 H +TER +ATOM 17012 O WAT 5315 18.941 20.888 23.742 1.00 0.00 O +ATOM 17013 H1 WAT 5315 18.601 21.366 24.498 1.00 0.00 H +ATOM 17014 H2 WAT 5315 18.178 20.435 23.382 1.00 0.00 H +TER +ATOM 17015 O WAT 5316 23.152 22.007 17.773 1.00 0.00 O +ATOM 17016 H1 WAT 5316 23.274 21.965 18.722 1.00 0.00 H +ATOM 17017 H2 WAT 5316 22.767 22.869 17.618 1.00 0.00 H +TER +ATOM 17018 O WAT 5317 27.115 19.784 25.789 1.00 0.00 O +ATOM 17019 H1 WAT 5317 27.133 20.234 26.634 1.00 0.00 H +ATOM 17020 H2 WAT 5317 26.867 18.884 26.003 1.00 0.00 H +TER +ATOM 17021 O WAT 5318 22.165 24.317 17.171 1.00 0.00 O +ATOM 17022 H1 WAT 5318 21.596 23.869 16.545 1.00 0.00 H +ATOM 17023 H2 WAT 5318 22.874 24.676 16.638 1.00 0.00 H +TER +ATOM 17024 O WAT 5319 30.542 17.197 31.628 1.00 0.00 O +ATOM 17025 H1 WAT 5319 30.867 16.466 32.154 1.00 0.00 H +ATOM 17026 H2 WAT 5319 30.578 16.878 30.726 1.00 0.00 H +TER +ATOM 17027 O WAT 5320 16.255 19.810 22.658 1.00 0.00 O +ATOM 17028 H1 WAT 5320 15.970 19.446 23.496 1.00 0.00 H +ATOM 17029 H2 WAT 5320 16.193 19.078 22.045 1.00 0.00 H +TER +ATOM 17030 O WAT 5321 19.709 28.313 19.444 1.00 0.00 O +ATOM 17031 H1 WAT 5321 18.936 27.773 19.284 1.00 0.00 H +ATOM 17032 H2 WAT 5321 20.439 27.793 19.106 1.00 0.00 H +TER +ATOM 17033 O WAT 5322 25.929 18.703 19.380 1.00 0.00 O +ATOM 17034 H1 WAT 5322 25.116 18.204 19.304 1.00 0.00 H +ATOM 17035 H2 WAT 5322 25.735 19.543 18.963 1.00 0.00 H +TER +ATOM 17036 O WAT 5323 28.644 23.075 17.676 1.00 0.00 O +ATOM 17037 H1 WAT 5323 29.532 23.387 17.501 1.00 0.00 H +ATOM 17038 H2 WAT 5323 28.615 22.202 17.284 1.00 0.00 H +TER +ATOM 17039 O WAT 5324 30.915 24.386 17.144 1.00 0.00 O +ATOM 17040 H1 WAT 5324 30.832 24.818 16.293 1.00 0.00 H +ATOM 17041 H2 WAT 5324 31.635 24.846 17.576 1.00 0.00 H +TER +ATOM 17042 O WAT 5325 15.748 24.946 16.618 1.00 0.00 O +ATOM 17043 H1 WAT 5325 16.618 25.229 16.902 1.00 0.00 H +ATOM 17044 H2 WAT 5325 15.257 25.760 16.503 1.00 0.00 H +TER +ATOM 17045 O WAT 5326 22.912 26.333 20.739 1.00 0.00 O +ATOM 17046 H1 WAT 5326 23.368 27.144 20.965 1.00 0.00 H +ATOM 17047 H2 WAT 5326 22.561 26.016 21.571 1.00 0.00 H +TER +ATOM 17048 O WAT 5327 18.813 16.677 21.211 1.00 0.00 O +ATOM 17049 H1 WAT 5327 18.685 16.669 22.160 1.00 0.00 H +ATOM 17050 H2 WAT 5327 17.989 17.015 20.860 1.00 0.00 H +TER +ATOM 17051 O WAT 5328 30.334 30.132 16.410 1.00 0.00 O +ATOM 17052 H1 WAT 5328 30.108 29.415 17.002 1.00 0.00 H +ATOM 17053 H2 WAT 5328 29.944 29.883 15.572 1.00 0.00 H +TER +ATOM 17054 O WAT 5329 16.116 34.159 17.184 1.00 0.00 O +ATOM 17055 H1 WAT 5329 16.475 34.758 16.530 1.00 0.00 H +ATOM 17056 H2 WAT 5329 15.975 34.705 17.958 1.00 0.00 H +TER +ATOM 17057 O WAT 5330 15.812 18.436 30.672 1.00 0.00 O +ATOM 17058 H1 WAT 5330 15.098 18.636 31.277 1.00 0.00 H +ATOM 17059 H2 WAT 5330 16.232 17.660 31.043 1.00 0.00 H +TER +ATOM 17060 O WAT 5331 29.916 28.049 18.071 1.00 0.00 O +ATOM 17061 H1 WAT 5331 29.628 28.511 18.859 1.00 0.00 H +ATOM 17062 H2 WAT 5331 30.711 27.589 18.339 1.00 0.00 H +TER +ATOM 17063 O WAT 5332 17.733 26.763 18.746 1.00 0.00 O +ATOM 17064 H1 WAT 5332 17.126 27.503 18.756 1.00 0.00 H +ATOM 17065 H2 WAT 5332 18.208 26.853 17.920 1.00 0.00 H +TER +ATOM 17066 O WAT 5333 27.306 20.929 28.422 1.00 0.00 O +ATOM 17067 H1 WAT 5333 27.674 20.108 28.750 1.00 0.00 H +ATOM 17068 H2 WAT 5333 26.446 20.989 28.837 1.00 0.00 H +TER +ATOM 17069 O WAT 5334 30.673 19.884 19.231 1.00 0.00 O +ATOM 17070 H1 WAT 5334 30.044 19.989 18.516 1.00 0.00 H +ATOM 17071 H2 WAT 5334 30.178 20.104 20.020 1.00 0.00 H +TER +ATOM 17072 O WAT 5335 22.641 22.163 20.646 1.00 0.00 O +ATOM 17073 H1 WAT 5335 21.933 22.631 21.088 1.00 0.00 H +ATOM 17074 H2 WAT 5335 22.925 21.505 21.281 1.00 0.00 H +TER +ATOM 17075 O WAT 5336 26.672 18.888 22.086 1.00 0.00 O +ATOM 17076 H1 WAT 5336 26.549 18.906 21.137 1.00 0.00 H +ATOM 17077 H2 WAT 5336 27.621 18.936 22.206 1.00 0.00 H +TER +ATOM 17078 O WAT 5337 20.844 20.471 18.021 1.00 0.00 O +ATOM 17079 H1 WAT 5337 21.693 20.908 17.955 1.00 0.00 H +ATOM 17080 H2 WAT 5337 20.478 20.783 18.849 1.00 0.00 H +TER +ATOM 17081 O WAT 5338 19.744 26.725 16.495 1.00 0.00 O +ATOM 17082 H1 WAT 5338 20.510 26.613 17.058 1.00 0.00 H +ATOM 17083 H2 WAT 5338 19.821 26.028 15.843 1.00 0.00 H +TER +ATOM 17084 O WAT 5339 18.438 24.157 17.178 1.00 0.00 O +ATOM 17085 H1 WAT 5339 18.519 23.210 17.290 1.00 0.00 H +ATOM 17086 H2 WAT 5339 19.330 24.488 17.284 1.00 0.00 H +TER +ATOM 17087 O WAT 5340 16.124 30.374 20.156 1.00 0.00 O +ATOM 17088 H1 WAT 5340 15.198 30.616 20.146 1.00 0.00 H +ATOM 17089 H2 WAT 5340 16.590 31.201 20.034 1.00 0.00 H +TER +ATOM 17090 O WAT 5341 22.350 33.480 16.104 1.00 0.00 O +ATOM 17091 H1 WAT 5341 23.143 33.768 15.652 1.00 0.00 H +ATOM 17092 H2 WAT 5341 21.830 33.049 15.426 1.00 0.00 H +TER +ATOM 17093 O WAT 5342 31.403 32.707 17.528 1.00 0.00 O +ATOM 17094 H1 WAT 5342 31.117 32.293 16.713 1.00 0.00 H +ATOM 17095 H2 WAT 5342 31.205 33.635 17.408 1.00 0.00 H +TER +ATOM 17096 O WAT 5343 22.868 28.700 15.969 1.00 0.00 O +ATOM 17097 H1 WAT 5343 22.763 28.085 16.695 1.00 0.00 H +ATOM 17098 H2 WAT 5343 22.700 28.177 15.185 1.00 0.00 H +TER +ATOM 17099 O WAT 5344 26.108 27.762 16.573 1.00 0.00 O +ATOM 17100 H1 WAT 5344 25.559 28.209 17.217 1.00 0.00 H +ATOM 17101 H2 WAT 5344 26.730 27.257 17.096 1.00 0.00 H +TER +ATOM 17102 O WAT 5345 21.775 26.721 18.469 1.00 0.00 O +ATOM 17103 H1 WAT 5345 22.197 26.555 19.312 1.00 0.00 H +ATOM 17104 H2 WAT 5345 21.901 25.911 17.975 1.00 0.00 H +TER +ATOM 17105 O WAT 5346 24.288 25.745 15.717 1.00 0.00 O +ATOM 17106 H1 WAT 5346 24.809 25.030 15.351 1.00 0.00 H +ATOM 17107 H2 WAT 5346 24.935 26.383 16.017 1.00 0.00 H +TER +ATOM 17108 O WAT 5347 20.425 19.667 31.356 1.00 0.00 O +ATOM 17109 H1 WAT 5347 20.331 19.049 30.631 1.00 0.00 H +ATOM 17110 H2 WAT 5347 19.845 20.394 31.129 1.00 0.00 H +TER +ATOM 17111 O WAT 5348 23.192 18.224 28.389 1.00 0.00 O +ATOM 17112 H1 WAT 5348 22.743 18.247 27.543 1.00 0.00 H +ATOM 17113 H2 WAT 5348 22.558 17.826 28.986 1.00 0.00 H +TER +ATOM 17114 O WAT 5349 20.671 22.794 15.415 1.00 0.00 O +ATOM 17115 H1 WAT 5349 20.470 21.931 15.776 1.00 0.00 H +ATOM 17116 H2 WAT 5349 20.501 22.708 14.477 1.00 0.00 H +TER +ATOM 17117 O WAT 5350 22.701 21.393 31.651 1.00 0.00 O +ATOM 17118 H1 WAT 5350 23.291 21.085 32.339 1.00 0.00 H +ATOM 17119 H2 WAT 5350 21.883 20.921 31.807 1.00 0.00 H +TER +ATOM 17120 O WAT 5351 27.520 21.010 31.885 1.00 0.00 O +ATOM 17121 H1 WAT 5351 26.832 20.348 31.820 1.00 0.00 H +ATOM 17122 H2 WAT 5351 28.241 20.564 32.330 1.00 0.00 H +TER +ATOM 17123 O WAT 5352 28.150 17.605 17.944 1.00 0.00 O +ATOM 17124 H1 WAT 5352 28.430 16.762 18.300 1.00 0.00 H +ATOM 17125 H2 WAT 5352 27.377 17.838 18.458 1.00 0.00 H +TER +ATOM 17126 O WAT 5353 19.470 19.894 15.403 1.00 0.00 O +ATOM 17127 H1 WAT 5353 19.772 19.901 14.495 1.00 0.00 H +ATOM 17128 H2 WAT 5353 20.209 19.544 15.900 1.00 0.00 H +TER +ATOM 17129 O WAT 5354 22.688 18.838 16.388 1.00 0.00 O +ATOM 17130 H1 WAT 5354 22.340 18.160 15.809 1.00 0.00 H +ATOM 17131 H2 WAT 5354 22.889 18.377 17.203 1.00 0.00 H +TER +ATOM 17132 O WAT 5355 18.493 29.199 16.236 1.00 0.00 O +ATOM 17133 H1 WAT 5355 18.930 29.742 16.892 1.00 0.00 H +ATOM 17134 H2 WAT 5355 18.977 28.373 16.245 1.00 0.00 H +TER +ATOM 17135 O WAT 5356 33.073 30.098 16.051 1.00 0.00 O +ATOM 17136 H1 WAT 5356 32.242 30.166 16.521 1.00 0.00 H +ATOM 17137 H2 WAT 5356 33.250 30.989 15.747 1.00 0.00 H +TER +ATOM 17138 O WAT 5357 32.528 26.843 18.554 1.00 0.00 O +ATOM 17139 H1 WAT 5357 33.290 27.413 18.660 1.00 0.00 H +ATOM 17140 H2 WAT 5357 32.544 26.276 19.325 1.00 0.00 H +TER +ATOM 17141 O WAT 5358 16.029 25.367 22.785 1.00 0.00 O +ATOM 17142 H1 WAT 5358 15.374 25.098 22.141 1.00 0.00 H +ATOM 17143 H2 WAT 5358 16.866 25.257 22.335 1.00 0.00 H +TER +ATOM 17144 O WAT 5359 32.580 27.136 15.711 1.00 0.00 O +ATOM 17145 H1 WAT 5359 32.855 28.044 15.583 1.00 0.00 H +ATOM 17146 H2 WAT 5359 32.391 27.073 16.648 1.00 0.00 H +TER +ATOM 17147 O WAT 5360 28.978 20.161 17.007 1.00 0.00 O +ATOM 17148 H1 WAT 5360 29.396 19.974 16.166 1.00 0.00 H +ATOM 17149 H2 WAT 5360 28.671 19.309 17.317 1.00 0.00 H +TER +ATOM 17150 O WAT 5361 32.477 25.073 20.704 1.00 0.00 O +ATOM 17151 H1 WAT 5361 32.101 24.306 20.272 1.00 0.00 H +ATOM 17152 H2 WAT 5361 31.747 25.455 21.192 1.00 0.00 H +TER +ATOM 17153 O WAT 5362 17.066 25.752 27.325 1.00 0.00 O +ATOM 17154 H1 WAT 5362 17.434 25.665 28.205 1.00 0.00 H +ATOM 17155 H2 WAT 5362 16.497 24.989 27.226 1.00 0.00 H +TER +ATOM 17156 O WAT 5363 16.618 22.663 31.231 1.00 0.00 O +ATOM 17157 H1 WAT 5363 15.723 22.630 31.570 1.00 0.00 H +ATOM 17158 H2 WAT 5363 17.158 22.862 31.996 1.00 0.00 H +TER +ATOM 17159 O WAT 5364 15.243 22.577 18.727 1.00 0.00 O +ATOM 17160 H1 WAT 5364 14.339 22.840 18.553 1.00 0.00 H +ATOM 17161 H2 WAT 5364 15.727 22.848 17.947 1.00 0.00 H +TER +ATOM 17162 O WAT 5365 31.752 23.299 24.005 1.00 0.00 O +ATOM 17163 H1 WAT 5365 32.276 22.805 23.374 1.00 0.00 H +ATOM 17164 H2 WAT 5365 32.338 23.434 24.750 1.00 0.00 H +TER +ATOM 17165 O WAT 5366 31.931 23.383 27.527 1.00 0.00 O +ATOM 17166 H1 WAT 5366 30.981 23.349 27.642 1.00 0.00 H +ATOM 17167 H2 WAT 5366 32.112 24.293 27.292 1.00 0.00 H +TER +ATOM 17168 O WAT 5367 17.785 21.633 16.637 1.00 0.00 O +ATOM 17169 H1 WAT 5367 18.494 21.211 16.152 1.00 0.00 H +ATOM 17170 H2 WAT 5367 17.069 21.701 16.005 1.00 0.00 H +TER +ATOM 17171 O WAT 5368 17.433 17.687 15.677 1.00 0.00 O +ATOM 17172 H1 WAT 5368 18.155 18.228 15.995 1.00 0.00 H +ATOM 17173 H2 WAT 5368 17.705 17.413 14.801 1.00 0.00 H +TER +ATOM 17174 O WAT 5369 31.242 22.556 19.944 1.00 0.00 O +ATOM 17175 H1 WAT 5369 31.738 22.323 20.729 1.00 0.00 H +ATOM 17176 H2 WAT 5369 31.043 21.717 19.528 1.00 0.00 H +TER +ATOM 17177 O WAT 5370 17.122 16.938 25.579 1.00 0.00 O +ATOM 17178 H1 WAT 5370 17.769 16.387 25.139 1.00 0.00 H +ATOM 17179 H2 WAT 5370 17.542 17.192 26.401 1.00 0.00 H +TER +ATOM 17180 O WAT 5371 32.671 21.192 22.478 1.00 0.00 O +ATOM 17181 H1 WAT 5371 32.560 21.038 23.416 1.00 0.00 H +ATOM 17182 H2 WAT 5371 33.431 20.664 22.236 1.00 0.00 H +TER +ATOM 17183 O WAT 5372 31.017 17.132 28.936 1.00 0.00 O +ATOM 17184 H1 WAT 5372 31.654 17.745 29.302 1.00 0.00 H +ATOM 17185 H2 WAT 5372 31.165 17.168 27.991 1.00 0.00 H +TER +ATOM 17186 O WAT 5373 33.560 19.023 15.719 1.00 0.00 O +ATOM 17187 H1 WAT 5373 34.484 18.891 15.511 1.00 0.00 H +ATOM 17188 H2 WAT 5373 33.537 19.102 16.672 1.00 0.00 H +TER +ATOM 17189 O WAT 5374 33.633 19.794 18.344 1.00 0.00 O +ATOM 17190 H1 WAT 5374 32.839 19.729 18.874 1.00 0.00 H +ATOM 17191 H2 WAT 5374 33.838 20.729 18.333 1.00 0.00 H +TER +ATOM 17192 O WAT 5375 16.875 17.093 28.322 1.00 0.00 O +ATOM 17193 H1 WAT 5375 16.527 17.550 29.088 1.00 0.00 H +ATOM 17194 H2 WAT 5375 16.544 16.199 28.404 1.00 0.00 H +TER +ATOM 17195 O WAT 5376 24.388 18.284 31.844 1.00 0.00 O +ATOM 17196 H1 WAT 5376 24.326 18.877 32.593 1.00 0.00 H +ATOM 17197 H2 WAT 5376 25.328 18.177 31.699 1.00 0.00 H +TER +ATOM 17198 O WAT 5377 27.025 17.941 31.483 1.00 0.00 O +ATOM 17199 H1 WAT 5377 27.639 18.259 30.821 1.00 0.00 H +ATOM 17200 H2 WAT 5377 27.570 17.456 32.103 1.00 0.00 H +TER +ATOM 17201 O WAT 5378 17.547 16.621 31.597 1.00 0.00 O +ATOM 17202 H1 WAT 5378 18.095 16.440 30.834 1.00 0.00 H +ATOM 17203 H2 WAT 5378 17.613 15.830 32.133 1.00 0.00 H +TER +ATOM 17204 O WAT 5379 27.766 16.505 27.810 1.00 0.00 O +ATOM 17205 H1 WAT 5379 26.892 16.838 27.607 1.00 0.00 H +ATOM 17206 H2 WAT 5379 27.657 16.032 28.635 1.00 0.00 H +TER +ATOM 17207 O WAT 5380 28.673 18.712 29.194 1.00 0.00 O +ATOM 17208 H1 WAT 5380 28.344 17.897 28.814 1.00 0.00 H +ATOM 17209 H2 WAT 5380 29.621 18.669 29.071 1.00 0.00 H +TER +ATOM 17210 O WAT 5381 25.513 17.422 26.749 1.00 0.00 O +ATOM 17211 H1 WAT 5381 24.730 17.896 27.029 1.00 0.00 H +ATOM 17212 H2 WAT 5381 25.220 16.517 26.641 1.00 0.00 H +TER +ATOM 17213 O WAT 5382 30.065 18.124 24.794 1.00 0.00 O +ATOM 17214 H1 WAT 5382 30.506 18.068 23.946 1.00 0.00 H +ATOM 17215 H2 WAT 5382 29.796 19.040 24.865 1.00 0.00 H +TER +ATOM 17216 O WAT 5383 31.929 17.755 22.805 1.00 0.00 O +ATOM 17217 H1 WAT 5383 31.868 16.812 22.658 1.00 0.00 H +ATOM 17218 H2 WAT 5383 32.708 17.863 23.350 1.00 0.00 H +TER +ATOM 17219 O WAT 5384 16.235 33.895 21.768 1.00 0.00 O +ATOM 17220 H1 WAT 5384 16.067 33.262 22.466 1.00 0.00 H +ATOM 17221 H2 WAT 5384 15.368 34.101 21.417 1.00 0.00 H +TER +ATOM 17222 O WAT 5385 16.857 17.726 19.271 1.00 0.00 O +ATOM 17223 H1 WAT 5385 17.615 17.839 18.697 1.00 0.00 H +ATOM 17224 H2 WAT 5385 16.395 18.563 19.225 1.00 0.00 H +TER +ATOM 17225 O WAT 5386 23.399 19.840 22.261 1.00 0.00 O +ATOM 17226 H1 WAT 5386 22.586 19.466 21.921 1.00 0.00 H +ATOM 17227 H2 WAT 5386 23.903 19.085 22.563 1.00 0.00 H +TER +ATOM 17228 O WAT 5387 27.901 16.505 23.499 1.00 0.00 O +ATOM 17229 H1 WAT 5387 28.504 17.077 23.974 1.00 0.00 H +ATOM 17230 H2 WAT 5387 27.161 17.068 23.277 1.00 0.00 H +TER +ATOM 17231 O WAT 5388 31.045 16.907 18.773 1.00 0.00 O +ATOM 17232 H1 WAT 5388 31.240 17.805 19.040 1.00 0.00 H +ATOM 17233 H2 WAT 5388 30.258 16.675 19.267 1.00 0.00 H +TER +ATOM 17234 O WAT 5389 17.841 32.588 19.213 1.00 0.00 O +ATOM 17235 H1 WAT 5389 17.316 32.969 18.509 1.00 0.00 H +ATOM 17236 H2 WAT 5389 17.765 33.213 19.934 1.00 0.00 H +TER +ATOM 17237 O WAT 5390 19.230 18.253 17.811 1.00 0.00 O +ATOM 17238 H1 WAT 5390 19.759 17.466 17.682 1.00 0.00 H +ATOM 17239 H2 WAT 5390 19.863 18.932 18.044 1.00 0.00 H +TER +ATOM 17240 O WAT 5391 21.424 17.990 20.865 1.00 0.00 O +ATOM 17241 H1 WAT 5391 20.794 17.289 21.032 1.00 0.00 H +ATOM 17242 H2 WAT 5391 20.884 18.751 20.649 1.00 0.00 H +TER +ATOM 17243 O WAT 5392 21.549 17.269 33.301 1.00 0.00 O +ATOM 17244 H1 WAT 5392 21.268 17.772 32.537 1.00 0.00 H +ATOM 17245 H2 WAT 5392 21.931 16.471 32.935 1.00 0.00 H +TER +ATOM 17246 O WAT 5393 20.440 34.536 18.087 1.00 0.00 O +ATOM 17247 H1 WAT 5393 21.172 34.252 17.540 1.00 0.00 H +ATOM 17248 H2 WAT 5393 20.699 34.298 18.977 1.00 0.00 H +TER +ATOM 17249 O WAT 5394 19.602 30.653 18.092 1.00 0.00 O +ATOM 17250 H1 WAT 5394 18.972 31.121 18.641 1.00 0.00 H +ATOM 17251 H2 WAT 5394 19.716 29.808 18.527 1.00 0.00 H +TER +ATOM 17252 O WAT 5395 28.151 16.684 33.879 1.00 0.00 O +ATOM 17253 H1 WAT 5395 28.037 17.004 34.774 1.00 0.00 H +ATOM 17254 H2 WAT 5395 28.968 17.085 33.582 1.00 0.00 H +TER +ATOM 17255 O WAT 5396 27.057 24.703 4.242 1.00 0.00 O +ATOM 17256 H1 WAT 5396 26.976 23.789 3.971 1.00 0.00 H +ATOM 17257 H2 WAT 5396 26.643 25.200 3.536 1.00 0.00 H +TER +ATOM 17258 O WAT 5397 25.188 26.481 6.123 1.00 0.00 O +ATOM 17259 H1 WAT 5397 24.413 26.001 6.413 1.00 0.00 H +ATOM 17260 H2 WAT 5397 25.840 25.802 5.949 1.00 0.00 H +TER +ATOM 17261 O WAT 5398 19.205 26.793 7.001 1.00 0.00 O +ATOM 17262 H1 WAT 5398 18.373 26.538 7.400 1.00 0.00 H +ATOM 17263 H2 WAT 5398 19.813 26.864 7.737 1.00 0.00 H +TER +ATOM 17264 O WAT 5399 29.209 30.887 4.903 1.00 0.00 O +ATOM 17265 H1 WAT 5399 28.747 30.116 5.232 1.00 0.00 H +ATOM 17266 H2 WAT 5399 30.022 30.914 5.408 1.00 0.00 H +TER +ATOM 17267 O WAT 5400 19.185 30.827 7.197 1.00 0.00 O +ATOM 17268 H1 WAT 5400 19.488 29.937 7.018 1.00 0.00 H +ATOM 17269 H2 WAT 5400 19.929 31.384 6.969 1.00 0.00 H +TER +ATOM 17270 O WAT 5401 15.577 24.354 6.669 1.00 0.00 O +ATOM 17271 H1 WAT 5401 16.149 23.586 6.669 1.00 0.00 H +ATOM 17272 H2 WAT 5401 15.578 24.653 5.760 1.00 0.00 H +TER +ATOM 17273 O WAT 5402 25.435 33.173 4.523 1.00 0.00 O +ATOM 17274 H1 WAT 5402 24.817 33.629 3.953 1.00 0.00 H +ATOM 17275 H2 WAT 5402 26.291 33.328 4.122 1.00 0.00 H +TER +ATOM 17276 O WAT 5403 24.629 29.157 6.130 1.00 0.00 O +ATOM 17277 H1 WAT 5403 24.560 28.216 5.969 1.00 0.00 H +ATOM 17278 H2 WAT 5403 25.391 29.247 6.702 1.00 0.00 H +TER +ATOM 17279 O WAT 5404 16.820 19.762 8.456 1.00 0.00 O +ATOM 17280 H1 WAT 5404 16.640 18.865 8.736 1.00 0.00 H +ATOM 17281 H2 WAT 5404 16.418 20.310 9.131 1.00 0.00 H +TER +ATOM 17282 O WAT 5405 25.660 21.964 6.357 1.00 0.00 O +ATOM 17283 H1 WAT 5405 26.036 21.091 6.244 1.00 0.00 H +ATOM 17284 H2 WAT 5405 25.562 22.300 5.466 1.00 0.00 H +TER +ATOM 17285 O WAT 5406 29.442 19.459 3.290 1.00 0.00 O +ATOM 17286 H1 WAT 5406 30.263 18.969 3.332 1.00 0.00 H +ATOM 17287 H2 WAT 5406 29.476 20.049 4.043 1.00 0.00 H +TER +ATOM 17288 O WAT 5407 17.439 22.258 7.064 1.00 0.00 O +ATOM 17289 H1 WAT 5407 18.120 22.522 7.683 1.00 0.00 H +ATOM 17290 H2 WAT 5407 17.123 21.418 7.398 1.00 0.00 H +TER +ATOM 17291 O WAT 5408 21.631 23.305 6.151 1.00 0.00 O +ATOM 17292 H1 WAT 5408 22.139 23.803 6.792 1.00 0.00 H +ATOM 17293 H2 WAT 5408 22.162 22.529 5.975 1.00 0.00 H +TER +ATOM 17294 O WAT 5409 33.732 21.476 9.854 1.00 0.00 O +ATOM 17295 H1 WAT 5409 33.027 21.864 9.336 1.00 0.00 H +ATOM 17296 H2 WAT 5409 33.998 22.171 10.456 1.00 0.00 H +TER +ATOM 17297 O WAT 5410 19.915 17.945 10.418 1.00 0.00 O +ATOM 17298 H1 WAT 5410 19.916 18.462 9.612 1.00 0.00 H +ATOM 17299 H2 WAT 5410 19.085 17.468 10.395 1.00 0.00 H +TER +ATOM 17300 O WAT 5411 21.165 27.585 8.595 1.00 0.00 O +ATOM 17301 H1 WAT 5411 20.832 28.211 9.237 1.00 0.00 H +ATOM 17302 H2 WAT 5411 21.342 28.111 7.815 1.00 0.00 H +TER +ATOM 17303 O WAT 5412 29.678 21.399 6.063 1.00 0.00 O +ATOM 17304 H1 WAT 5412 28.974 21.688 6.643 1.00 0.00 H +ATOM 17305 H2 WAT 5412 30.040 22.209 5.703 1.00 0.00 H +TER +ATOM 17306 O WAT 5413 19.596 19.656 8.425 1.00 0.00 O +ATOM 17307 H1 WAT 5413 19.938 20.500 8.130 1.00 0.00 H +ATOM 17308 H2 WAT 5413 18.658 19.804 8.541 1.00 0.00 H +TER +ATOM 17309 O WAT 5414 20.377 29.553 10.410 1.00 0.00 O +ATOM 17310 H1 WAT 5414 20.994 30.228 10.128 1.00 0.00 H +ATOM 17311 H2 WAT 5414 19.516 29.961 10.319 1.00 0.00 H +TER +ATOM 17312 O WAT 5415 31.295 31.017 8.325 1.00 0.00 O +ATOM 17313 H1 WAT 5415 30.611 31.686 8.317 1.00 0.00 H +ATOM 17314 H2 WAT 5415 31.834 31.215 7.560 1.00 0.00 H +TER +ATOM 17315 O WAT 5416 32.747 20.845 6.454 1.00 0.00 O +ATOM 17316 H1 WAT 5416 31.800 20.878 6.585 1.00 0.00 H +ATOM 17317 H2 WAT 5416 33.072 21.658 6.838 1.00 0.00 H +TER +ATOM 17318 O WAT 5417 23.279 17.144 4.749 1.00 0.00 O +ATOM 17319 H1 WAT 5417 23.586 16.589 4.033 1.00 0.00 H +ATOM 17320 H2 WAT 5417 22.349 17.279 4.566 1.00 0.00 H +TER +ATOM 17321 O WAT 5418 28.830 32.861 7.040 1.00 0.00 O +ATOM 17322 H1 WAT 5418 28.843 32.457 6.172 1.00 0.00 H +ATOM 17323 H2 WAT 5418 28.278 33.636 6.936 1.00 0.00 H +TER +ATOM 17324 O WAT 5419 30.125 29.583 2.129 1.00 0.00 O +ATOM 17325 H1 WAT 5419 30.015 28.640 2.254 1.00 0.00 H +ATOM 17326 H2 WAT 5419 30.122 29.944 3.015 1.00 0.00 H +TER +ATOM 17327 O WAT 5420 28.229 27.764 8.368 1.00 0.00 O +ATOM 17328 H1 WAT 5420 28.646 27.550 7.534 1.00 0.00 H +ATOM 17329 H2 WAT 5420 28.953 28.021 8.939 1.00 0.00 H +TER +ATOM 17330 O WAT 5421 32.175 26.163 8.460 1.00 0.00 O +ATOM 17331 H1 WAT 5421 31.347 26.232 7.985 1.00 0.00 H +ATOM 17332 H2 WAT 5421 32.770 26.748 7.991 1.00 0.00 H +TER +ATOM 17333 O WAT 5422 29.139 22.950 9.405 1.00 0.00 O +ATOM 17334 H1 WAT 5422 28.727 23.775 9.659 1.00 0.00 H +ATOM 17335 H2 WAT 5422 28.407 22.364 9.213 1.00 0.00 H +TER +ATOM 17336 O WAT 5423 21.273 25.736 4.267 1.00 0.00 O +ATOM 17337 H1 WAT 5423 20.868 25.023 3.772 1.00 0.00 H +ATOM 17338 H2 WAT 5423 21.359 25.391 5.156 1.00 0.00 H +TER +ATOM 17339 O WAT 5424 21.741 29.422 6.431 1.00 0.00 O +ATOM 17340 H1 WAT 5424 21.444 28.817 5.752 1.00 0.00 H +ATOM 17341 H2 WAT 5424 22.691 29.460 6.320 1.00 0.00 H +TER +ATOM 17342 O WAT 5425 19.986 22.510 8.047 1.00 0.00 O +ATOM 17343 H1 WAT 5425 20.537 22.619 7.272 1.00 0.00 H +ATOM 17344 H2 WAT 5425 20.500 22.884 8.763 1.00 0.00 H +TER +ATOM 17345 O WAT 5426 29.829 32.996 10.093 1.00 0.00 O +ATOM 17346 H1 WAT 5426 29.352 33.803 9.901 1.00 0.00 H +ATOM 17347 H2 WAT 5426 29.146 32.343 10.246 1.00 0.00 H +TER +ATOM 17348 O WAT 5427 20.833 29.161 13.082 1.00 0.00 O +ATOM 17349 H1 WAT 5427 19.936 29.385 13.329 1.00 0.00 H +ATOM 17350 H2 WAT 5427 20.858 29.284 12.133 1.00 0.00 H +TER +ATOM 17351 O WAT 5428 19.660 26.032 11.658 1.00 0.00 O +ATOM 17352 H1 WAT 5428 19.521 26.904 12.026 1.00 0.00 H +ATOM 17353 H2 WAT 5428 18.778 25.689 11.512 1.00 0.00 H +TER +ATOM 17354 O WAT 5429 25.983 30.949 2.964 1.00 0.00 O +ATOM 17355 H1 WAT 5429 26.422 31.692 2.550 1.00 0.00 H +ATOM 17356 H2 WAT 5429 25.921 31.192 3.888 1.00 0.00 H +TER +ATOM 17357 O WAT 5430 21.458 31.974 13.866 1.00 0.00 O +ATOM 17358 H1 WAT 5430 21.429 32.378 12.999 1.00 0.00 H +ATOM 17359 H2 WAT 5430 21.294 31.045 13.703 1.00 0.00 H +TER +ATOM 17360 O WAT 5431 33.409 32.757 15.163 1.00 0.00 O +ATOM 17361 H1 WAT 5431 33.885 33.235 15.841 1.00 0.00 H +ATOM 17362 H2 WAT 5431 34.030 32.688 14.437 1.00 0.00 H +TER +ATOM 17363 O WAT 5432 15.612 27.802 7.575 1.00 0.00 O +ATOM 17364 H1 WAT 5432 15.690 27.936 6.630 1.00 0.00 H +ATOM 17365 H2 WAT 5432 16.226 27.093 7.767 1.00 0.00 H +TER +ATOM 17366 O WAT 5433 16.856 29.502 3.985 1.00 0.00 O +ATOM 17367 H1 WAT 5433 16.449 29.643 3.131 1.00 0.00 H +ATOM 17368 H2 WAT 5433 17.748 29.218 3.782 1.00 0.00 H +TER +ATOM 17369 O WAT 5434 32.813 29.948 12.323 1.00 0.00 O +ATOM 17370 H1 WAT 5434 32.939 29.709 11.404 1.00 0.00 H +ATOM 17371 H2 WAT 5434 32.855 29.116 12.795 1.00 0.00 H +TER +ATOM 17372 O WAT 5435 26.674 33.651 10.892 1.00 0.00 O +ATOM 17373 H1 WAT 5435 27.189 33.562 11.694 1.00 0.00 H +ATOM 17374 H2 WAT 5435 25.831 33.997 11.185 1.00 0.00 H +TER +ATOM 17375 O WAT 5436 27.917 33.071 2.955 1.00 0.00 O +ATOM 17376 H1 WAT 5436 28.373 32.290 3.269 1.00 0.00 H +ATOM 17377 H2 WAT 5436 28.257 33.782 3.499 1.00 0.00 H +TER +ATOM 17378 O WAT 5437 32.665 22.001 13.287 1.00 0.00 O +ATOM 17379 H1 WAT 5437 32.050 22.509 12.759 1.00 0.00 H +ATOM 17380 H2 WAT 5437 32.345 21.101 13.230 1.00 0.00 H +TER +ATOM 17381 O WAT 5438 15.668 28.843 10.114 1.00 0.00 O +ATOM 17382 H1 WAT 5438 15.831 28.374 9.296 1.00 0.00 H +ATOM 17383 H2 WAT 5438 16.133 28.335 10.779 1.00 0.00 H +TER +ATOM 17384 O WAT 5439 20.440 17.974 5.150 1.00 0.00 O +ATOM 17385 H1 WAT 5439 19.996 18.755 4.819 1.00 0.00 H +ATOM 17386 H2 WAT 5439 20.998 18.297 5.857 1.00 0.00 H +TER +ATOM 17387 O WAT 5440 24.727 20.840 10.754 1.00 0.00 O +ATOM 17388 H1 WAT 5440 24.264 21.049 11.566 1.00 0.00 H +ATOM 17389 H2 WAT 5440 24.324 20.026 10.451 1.00 0.00 H +TER +ATOM 17390 O WAT 5441 29.727 22.061 11.883 1.00 0.00 O +ATOM 17391 H1 WAT 5441 28.876 21.762 12.204 1.00 0.00 H +ATOM 17392 H2 WAT 5441 29.567 22.306 10.972 1.00 0.00 H +TER +ATOM 17393 O WAT 5442 26.822 23.562 13.983 1.00 0.00 O +ATOM 17394 H1 WAT 5442 27.147 22.728 13.643 1.00 0.00 H +ATOM 17395 H2 WAT 5442 27.610 24.084 14.131 1.00 0.00 H +TER +ATOM 17396 O WAT 5443 22.477 18.518 7.009 1.00 0.00 O +ATOM 17397 H1 WAT 5443 22.774 19.425 6.928 1.00 0.00 H +ATOM 17398 H2 WAT 5443 23.026 18.030 6.395 1.00 0.00 H +TER +ATOM 17399 O WAT 5444 20.231 23.097 2.878 1.00 0.00 O +ATOM 17400 H1 WAT 5444 20.005 22.881 3.783 1.00 0.00 H +ATOM 17401 H2 WAT 5444 19.450 23.530 2.533 1.00 0.00 H +TER +ATOM 17402 O WAT 5445 22.671 23.996 13.544 1.00 0.00 O +ATOM 17403 H1 WAT 5445 22.575 23.055 13.394 1.00 0.00 H +ATOM 17404 H2 WAT 5445 23.514 24.217 13.149 1.00 0.00 H +TER +ATOM 17405 O WAT 5446 26.067 21.740 3.508 1.00 0.00 O +ATOM 17406 H1 WAT 5446 26.460 22.057 2.695 1.00 0.00 H +ATOM 17407 H2 WAT 5446 26.429 20.861 3.622 1.00 0.00 H +TER +ATOM 17408 O WAT 5447 17.802 20.407 11.698 1.00 0.00 O +ATOM 17409 H1 WAT 5447 17.408 21.254 11.905 1.00 0.00 H +ATOM 17410 H2 WAT 5447 17.114 19.770 11.889 1.00 0.00 H +TER +ATOM 17411 O WAT 5448 24.376 20.490 14.767 1.00 0.00 O +ATOM 17412 H1 WAT 5448 23.686 20.298 15.402 1.00 0.00 H +ATOM 17413 H2 WAT 5448 25.120 20.774 15.300 1.00 0.00 H +TER +ATOM 17414 O WAT 5449 15.104 18.330 5.731 1.00 0.00 O +ATOM 17415 H1 WAT 5449 14.815 18.900 6.443 1.00 0.00 H +ATOM 17416 H2 WAT 5449 15.848 17.850 6.094 1.00 0.00 H +TER +ATOM 17417 O WAT 5450 26.653 24.330 7.603 1.00 0.00 O +ATOM 17418 H1 WAT 5450 25.921 24.839 7.952 1.00 0.00 H +ATOM 17419 H2 WAT 5450 26.255 23.513 7.302 1.00 0.00 H +TER +ATOM 17420 O WAT 5451 23.090 21.006 6.008 1.00 0.00 O +ATOM 17421 H1 WAT 5451 23.094 20.565 5.158 1.00 0.00 H +ATOM 17422 H2 WAT 5451 23.986 21.327 6.115 1.00 0.00 H +TER +ATOM 17423 O WAT 5452 18.941 20.888 4.967 1.00 0.00 O +ATOM 17424 H1 WAT 5452 18.601 21.366 5.724 1.00 0.00 H +ATOM 17425 H2 WAT 5452 18.178 20.435 4.608 1.00 0.00 H +TER +ATOM 17426 O WAT 5453 27.115 19.784 7.015 1.00 0.00 O +ATOM 17427 H1 WAT 5453 27.133 20.234 7.859 1.00 0.00 H +ATOM 17428 H2 WAT 5453 26.867 18.884 7.228 1.00 0.00 H +TER +ATOM 17429 O WAT 5454 30.542 17.197 12.854 1.00 0.00 O +ATOM 17430 H1 WAT 5454 30.867 16.466 13.380 1.00 0.00 H +ATOM 17431 H2 WAT 5454 30.578 16.878 11.952 1.00 0.00 H +TER +ATOM 17432 O WAT 5455 17.242 28.218 12.274 1.00 0.00 O +ATOM 17433 H1 WAT 5455 16.857 27.578 12.872 1.00 0.00 H +ATOM 17434 H2 WAT 5455 17.553 28.922 12.843 1.00 0.00 H +TER +ATOM 17435 O WAT 5456 23.391 25.066 7.755 1.00 0.00 O +ATOM 17436 H1 WAT 5456 23.758 24.592 8.501 1.00 0.00 H +ATOM 17437 H2 WAT 5456 23.202 25.940 8.095 1.00 0.00 H +TER +ATOM 17438 O WAT 5457 16.255 19.810 3.884 1.00 0.00 O +ATOM 17439 H1 WAT 5457 15.970 19.446 4.722 1.00 0.00 H +ATOM 17440 H2 WAT 5457 16.193 19.078 3.270 1.00 0.00 H +TER +ATOM 17441 O WAT 5458 21.181 24.107 10.073 1.00 0.00 O +ATOM 17442 H1 WAT 5458 20.877 24.986 10.298 1.00 0.00 H +ATOM 17443 H2 WAT 5458 22.136 24.167 10.109 1.00 0.00 H +TER +ATOM 17444 O WAT 5459 30.468 27.309 6.462 1.00 0.00 O +ATOM 17445 H1 WAT 5459 31.188 27.805 6.072 1.00 0.00 H +ATOM 17446 H2 WAT 5459 30.266 26.631 5.818 1.00 0.00 H +TER +ATOM 17447 O WAT 5460 25.850 27.380 12.349 1.00 0.00 O +ATOM 17448 H1 WAT 5460 25.784 26.460 12.095 1.00 0.00 H +ATOM 17449 H2 WAT 5460 25.221 27.478 13.064 1.00 0.00 H +TER +ATOM 17450 O WAT 5461 19.753 27.981 4.308 1.00 0.00 O +ATOM 17451 H1 WAT 5461 20.271 27.178 4.253 1.00 0.00 H +ATOM 17452 H2 WAT 5461 19.302 27.919 5.149 1.00 0.00 H +TER +ATOM 17453 O WAT 5462 17.238 24.947 11.220 1.00 0.00 O +ATOM 17454 H1 WAT 5462 16.879 25.612 11.807 1.00 0.00 H +ATOM 17455 H2 WAT 5462 16.943 24.115 11.591 1.00 0.00 H +TER +ATOM 17456 O WAT 5463 20.439 25.405 14.104 1.00 0.00 O +ATOM 17457 H1 WAT 5463 20.139 25.551 13.207 1.00 0.00 H +ATOM 17458 H2 WAT 5463 21.210 24.846 14.011 1.00 0.00 H +TER +ATOM 17459 O WAT 5464 25.782 30.202 12.100 1.00 0.00 O +ATOM 17460 H1 WAT 5464 25.796 29.270 11.881 1.00 0.00 H +ATOM 17461 H2 WAT 5464 25.074 30.288 12.739 1.00 0.00 H +TER +ATOM 17462 O WAT 5465 31.993 26.843 11.446 1.00 0.00 O +ATOM 17463 H1 WAT 5465 31.268 27.436 11.249 1.00 0.00 H +ATOM 17464 H2 WAT 5465 32.520 26.835 10.648 1.00 0.00 H +TER +ATOM 17465 O WAT 5466 27.523 28.569 4.945 1.00 0.00 O +ATOM 17466 H1 WAT 5466 27.875 27.972 4.285 1.00 0.00 H +ATOM 17467 H2 WAT 5466 26.639 28.243 5.116 1.00 0.00 H +TER +ATOM 17468 O WAT 5467 23.609 29.329 2.352 1.00 0.00 O +ATOM 17469 H1 WAT 5467 24.296 29.876 2.733 1.00 0.00 H +ATOM 17470 H2 WAT 5467 22.822 29.873 2.387 1.00 0.00 H +TER +ATOM 17471 O WAT 5468 25.215 31.844 9.194 1.00 0.00 O +ATOM 17472 H1 WAT 5468 25.859 32.050 9.871 1.00 0.00 H +ATOM 17473 H2 WAT 5468 25.578 31.083 8.741 1.00 0.00 H +TER +ATOM 17474 O WAT 5469 18.813 16.677 2.437 1.00 0.00 O +ATOM 17475 H1 WAT 5469 18.685 16.669 3.385 1.00 0.00 H +ATOM 17476 H2 WAT 5469 17.989 17.015 2.086 1.00 0.00 H +TER +ATOM 17477 O WAT 5470 26.488 29.847 7.911 1.00 0.00 O +ATOM 17478 H1 WAT 5470 27.131 29.147 8.025 1.00 0.00 H +ATOM 17479 H2 WAT 5470 27.013 30.627 7.731 1.00 0.00 H +TER +ATOM 17480 O WAT 5471 28.262 30.647 11.115 1.00 0.00 O +ATOM 17481 H1 WAT 5471 28.598 31.233 11.793 1.00 0.00 H +ATOM 17482 H2 WAT 5471 27.342 30.516 11.345 1.00 0.00 H +TER +ATOM 17483 O WAT 5472 15.812 18.436 11.897 1.00 0.00 O +ATOM 17484 H1 WAT 5472 15.098 18.636 12.503 1.00 0.00 H +ATOM 17485 H2 WAT 5472 16.232 17.660 12.269 1.00 0.00 H +TER +ATOM 17486 O WAT 5473 16.100 32.424 12.884 1.00 0.00 O +ATOM 17487 H1 WAT 5473 16.209 31.484 12.744 1.00 0.00 H +ATOM 17488 H2 WAT 5473 15.448 32.690 12.235 1.00 0.00 H +TER +ATOM 17489 O WAT 5474 24.091 30.696 14.284 1.00 0.00 O +ATOM 17490 H1 WAT 5474 23.771 29.977 14.828 1.00 0.00 H +ATOM 17491 H2 WAT 5474 23.417 31.371 14.357 1.00 0.00 H +TER +ATOM 17492 O WAT 5475 27.306 20.929 9.647 1.00 0.00 O +ATOM 17493 H1 WAT 5475 27.674 20.108 9.975 1.00 0.00 H +ATOM 17494 H2 WAT 5475 26.446 20.989 10.063 1.00 0.00 H +TER +ATOM 17495 O WAT 5476 24.267 23.582 9.871 1.00 0.00 O +ATOM 17496 H1 WAT 5476 24.765 24.057 10.536 1.00 0.00 H +ATOM 17497 H2 WAT 5476 24.409 22.659 10.078 1.00 0.00 H +TER +ATOM 17498 O WAT 5477 26.672 18.888 3.312 1.00 0.00 O +ATOM 17499 H1 WAT 5477 26.549 18.906 2.363 1.00 0.00 H +ATOM 17500 H2 WAT 5477 27.621 18.936 3.431 1.00 0.00 H +TER +ATOM 17501 O WAT 5478 31.473 19.799 10.714 1.00 0.00 O +ATOM 17502 H1 WAT 5478 30.971 20.540 11.053 1.00 0.00 H +ATOM 17503 H2 WAT 5478 32.289 20.188 10.398 1.00 0.00 H +TER +ATOM 17504 O WAT 5479 29.765 25.043 4.160 1.00 0.00 O +ATOM 17505 H1 WAT 5479 28.824 25.058 4.335 1.00 0.00 H +ATOM 17506 H2 WAT 5479 30.080 24.256 4.606 1.00 0.00 H +TER +ATOM 17507 O WAT 5480 31.768 32.213 5.836 1.00 0.00 O +ATOM 17508 H1 WAT 5480 31.893 33.037 6.308 1.00 0.00 H +ATOM 17509 H2 WAT 5480 32.635 32.003 5.488 1.00 0.00 H +TER +ATOM 17510 O WAT 5481 19.240 34.307 5.507 1.00 0.00 O +ATOM 17511 H1 WAT 5481 19.976 33.758 5.778 1.00 0.00 H +ATOM 17512 H2 WAT 5481 19.624 35.172 5.368 1.00 0.00 H +TER +ATOM 17513 O WAT 5482 18.246 33.491 14.696 1.00 0.00 O +ATOM 17514 H1 WAT 5482 19.047 33.812 15.109 1.00 0.00 H +ATOM 17515 H2 WAT 5482 17.731 33.131 15.418 1.00 0.00 H +TER +ATOM 17516 O WAT 5483 27.082 29.599 14.643 1.00 0.00 O +ATOM 17517 H1 WAT 5483 26.476 29.622 13.903 1.00 0.00 H +ATOM 17518 H2 WAT 5483 26.777 28.867 15.180 1.00 0.00 H +TER +ATOM 17519 O WAT 5484 28.512 33.327 13.254 1.00 0.00 O +ATOM 17520 H1 WAT 5484 29.464 33.243 13.204 1.00 0.00 H +ATOM 17521 H2 WAT 5484 28.365 33.991 13.928 1.00 0.00 H +TER +ATOM 17522 O WAT 5485 15.965 25.979 13.640 1.00 0.00 O +ATOM 17523 H1 WAT 5485 16.469 25.399 14.211 1.00 0.00 H +ATOM 17524 H2 WAT 5485 15.226 26.263 14.177 1.00 0.00 H +TER +ATOM 17525 O WAT 5486 23.019 27.386 13.173 1.00 0.00 O +ATOM 17526 H1 WAT 5486 22.254 27.954 13.089 1.00 0.00 H +ATOM 17527 H2 WAT 5486 23.201 27.093 12.280 1.00 0.00 H +TER +ATOM 17528 O WAT 5487 30.161 29.116 13.731 1.00 0.00 O +ATOM 17529 H1 WAT 5487 30.902 29.454 13.227 1.00 0.00 H +ATOM 17530 H2 WAT 5487 29.399 29.285 13.178 1.00 0.00 H +TER +ATOM 17531 O WAT 5488 17.998 24.121 14.535 1.00 0.00 O +ATOM 17532 H1 WAT 5488 18.038 23.823 15.443 1.00 0.00 H +ATOM 17533 H2 WAT 5488 18.852 24.522 14.375 1.00 0.00 H +TER +ATOM 17534 O WAT 5489 19.938 22.701 12.502 1.00 0.00 O +ATOM 17535 H1 WAT 5489 19.408 22.210 11.874 1.00 0.00 H +ATOM 17536 H2 WAT 5489 20.607 23.129 11.968 1.00 0.00 H +TER +ATOM 17537 O WAT 5490 28.836 27.168 12.266 1.00 0.00 O +ATOM 17538 H1 WAT 5490 29.250 27.322 13.115 1.00 0.00 H +ATOM 17539 H2 WAT 5490 27.901 27.293 12.429 1.00 0.00 H +TER +ATOM 17540 O WAT 5491 29.308 24.507 14.270 1.00 0.00 O +ATOM 17541 H1 WAT 5491 29.890 23.752 14.182 1.00 0.00 H +ATOM 17542 H2 WAT 5491 29.484 25.038 13.493 1.00 0.00 H +TER +ATOM 17543 O WAT 5492 20.425 19.667 12.582 1.00 0.00 O +ATOM 17544 H1 WAT 5492 20.331 19.049 11.857 1.00 0.00 H +ATOM 17545 H2 WAT 5492 19.845 20.394 12.355 1.00 0.00 H +TER +ATOM 17546 O WAT 5493 23.192 18.224 9.614 1.00 0.00 O +ATOM 17547 H1 WAT 5493 22.743 18.247 8.769 1.00 0.00 H +ATOM 17548 H2 WAT 5493 22.558 17.826 10.212 1.00 0.00 H +TER +ATOM 17549 O WAT 5494 23.598 27.120 10.236 1.00 0.00 O +ATOM 17550 H1 WAT 5494 24.016 27.963 10.063 1.00 0.00 H +ATOM 17551 H2 WAT 5494 22.678 27.257 10.006 1.00 0.00 H +TER +ATOM 17552 O WAT 5495 25.934 24.851 11.620 1.00 0.00 O +ATOM 17553 H1 WAT 5495 26.054 24.255 12.359 1.00 0.00 H +ATOM 17554 H2 WAT 5495 26.793 24.888 11.200 1.00 0.00 H +TER +ATOM 17555 O WAT 5496 28.273 25.405 10.196 1.00 0.00 O +ATOM 17556 H1 WAT 5496 27.746 25.929 9.592 1.00 0.00 H +ATOM 17557 H2 WAT 5496 28.616 26.038 10.827 1.00 0.00 H +TER +ATOM 17558 O WAT 5497 21.448 33.425 11.351 1.00 0.00 O +ATOM 17559 H1 WAT 5497 20.910 34.150 11.032 1.00 0.00 H +ATOM 17560 H2 WAT 5497 21.702 32.948 10.561 1.00 0.00 H +TER +ATOM 17561 O WAT 5498 22.701 21.393 12.877 1.00 0.00 O +ATOM 17562 H1 WAT 5498 23.291 21.085 13.565 1.00 0.00 H +ATOM 17563 H2 WAT 5498 21.883 20.921 13.033 1.00 0.00 H +TER +ATOM 17564 O WAT 5499 27.520 21.010 13.110 1.00 0.00 O +ATOM 17565 H1 WAT 5499 26.832 20.348 13.045 1.00 0.00 H +ATOM 17566 H2 WAT 5499 28.241 20.564 13.555 1.00 0.00 H +TER +ATOM 17567 O WAT 5500 24.305 34.660 11.610 1.00 0.00 O +ATOM 17568 H1 WAT 5500 24.230 35.564 11.917 1.00 0.00 H +ATOM 17569 H2 WAT 5500 23.402 34.341 11.582 1.00 0.00 H +TER +ATOM 17570 O WAT 5501 15.707 31.988 4.914 1.00 0.00 O +ATOM 17571 H1 WAT 5501 16.038 31.120 4.681 1.00 0.00 H +ATOM 17572 H2 WAT 5501 16.136 32.193 5.744 1.00 0.00 H +TER +ATOM 17573 O WAT 5502 20.303 30.318 2.574 1.00 0.00 O +ATOM 17574 H1 WAT 5502 20.003 30.195 3.474 1.00 0.00 H +ATOM 17575 H2 WAT 5502 20.197 29.459 2.165 1.00 0.00 H +TER +ATOM 17576 O WAT 5503 16.196 32.855 7.652 1.00 0.00 O +ATOM 17577 H1 WAT 5503 15.759 33.035 8.484 1.00 0.00 H +ATOM 17578 H2 WAT 5503 16.764 33.612 7.510 1.00 0.00 H +TER +ATOM 17579 O WAT 5504 31.832 32.356 11.939 1.00 0.00 O +ATOM 17580 H1 WAT 5504 31.233 32.416 11.196 1.00 0.00 H +ATOM 17581 H2 WAT 5504 31.962 31.417 12.069 1.00 0.00 H +TER +ATOM 17582 O WAT 5505 16.029 25.367 4.011 1.00 0.00 O +ATOM 17583 H1 WAT 5505 15.374 25.098 3.367 1.00 0.00 H +ATOM 17584 H2 WAT 5505 16.866 25.257 3.561 1.00 0.00 H +TER +ATOM 17585 O WAT 5506 33.534 27.698 4.624 1.00 0.00 O +ATOM 17586 H1 WAT 5506 33.905 26.915 4.218 1.00 0.00 H +ATOM 17587 H2 WAT 5506 34.174 28.387 4.446 1.00 0.00 H +TER +ATOM 17588 O WAT 5507 30.518 29.082 10.037 1.00 0.00 O +ATOM 17589 H1 WAT 5507 29.704 29.511 10.300 1.00 0.00 H +ATOM 17590 H2 WAT 5507 30.925 29.693 9.424 1.00 0.00 H +TER +ATOM 17591 O WAT 5508 17.066 25.752 8.551 1.00 0.00 O +ATOM 17592 H1 WAT 5508 17.434 25.665 9.431 1.00 0.00 H +ATOM 17593 H2 WAT 5508 16.497 24.989 8.452 1.00 0.00 H +TER +ATOM 17594 O WAT 5509 31.867 24.220 11.564 1.00 0.00 O +ATOM 17595 H1 WAT 5509 31.635 23.992 10.664 1.00 0.00 H +ATOM 17596 H2 WAT 5509 32.127 25.140 11.518 1.00 0.00 H +TER +ATOM 17597 O WAT 5510 16.618 22.663 12.457 1.00 0.00 O +ATOM 17598 H1 WAT 5510 15.723 22.630 12.796 1.00 0.00 H +ATOM 17599 H2 WAT 5510 17.158 22.862 13.222 1.00 0.00 H +TER +ATOM 17600 O WAT 5511 30.305 19.446 14.342 1.00 0.00 O +ATOM 17601 H1 WAT 5511 31.183 19.454 14.725 1.00 0.00 H +ATOM 17602 H2 WAT 5511 30.318 18.709 13.731 1.00 0.00 H +TER +ATOM 17603 O WAT 5512 31.752 23.299 5.231 1.00 0.00 O +ATOM 17604 H1 WAT 5512 32.276 22.805 4.600 1.00 0.00 H +ATOM 17605 H2 WAT 5512 32.338 23.434 5.975 1.00 0.00 H +TER +ATOM 17606 O WAT 5513 31.931 23.383 8.753 1.00 0.00 O +ATOM 17607 H1 WAT 5513 30.981 23.349 8.867 1.00 0.00 H +ATOM 17608 H2 WAT 5513 32.112 24.293 8.518 1.00 0.00 H +TER +ATOM 17609 O WAT 5514 17.122 16.938 6.805 1.00 0.00 O +ATOM 17610 H1 WAT 5514 17.769 16.387 6.365 1.00 0.00 H +ATOM 17611 H2 WAT 5514 17.542 17.192 7.627 1.00 0.00 H +TER +ATOM 17612 O WAT 5515 32.671 21.192 3.704 1.00 0.00 O +ATOM 17613 H1 WAT 5515 32.560 21.038 4.642 1.00 0.00 H +ATOM 17614 H2 WAT 5515 33.431 20.664 3.461 1.00 0.00 H +TER +ATOM 17615 O WAT 5516 31.017 17.132 10.162 1.00 0.00 O +ATOM 17616 H1 WAT 5516 31.654 17.745 10.528 1.00 0.00 H +ATOM 17617 H2 WAT 5516 31.165 17.168 9.217 1.00 0.00 H +TER +ATOM 17618 O WAT 5517 30.575 33.833 3.564 1.00 0.00 O +ATOM 17619 H1 WAT 5517 31.171 33.512 2.887 1.00 0.00 H +ATOM 17620 H2 WAT 5517 30.833 33.361 4.355 1.00 0.00 H +TER +ATOM 17621 O WAT 5518 16.875 17.093 9.548 1.00 0.00 O +ATOM 17622 H1 WAT 5518 16.527 17.550 10.313 1.00 0.00 H +ATOM 17623 H2 WAT 5518 16.544 16.199 9.630 1.00 0.00 H +TER +ATOM 17624 O WAT 5519 18.482 30.265 13.713 1.00 0.00 O +ATOM 17625 H1 WAT 5519 18.438 29.894 14.594 1.00 0.00 H +ATOM 17626 H2 WAT 5519 18.613 31.203 13.853 1.00 0.00 H +TER +ATOM 17627 O WAT 5520 22.182 31.821 9.314 1.00 0.00 O +ATOM 17628 H1 WAT 5520 21.941 32.089 8.427 1.00 0.00 H +ATOM 17629 H2 WAT 5520 23.122 31.992 9.369 1.00 0.00 H +TER +ATOM 17630 O WAT 5521 24.388 18.284 13.070 1.00 0.00 O +ATOM 17631 H1 WAT 5521 24.326 18.877 13.819 1.00 0.00 H +ATOM 17632 H2 WAT 5521 25.328 18.177 12.925 1.00 0.00 H +TER +ATOM 17633 O WAT 5522 27.025 17.941 12.709 1.00 0.00 O +ATOM 17634 H1 WAT 5522 27.639 18.259 12.047 1.00 0.00 H +ATOM 17635 H2 WAT 5522 27.570 17.456 13.328 1.00 0.00 H +TER +ATOM 17636 O WAT 5523 33.443 33.841 10.115 1.00 0.00 O +ATOM 17637 H1 WAT 5523 32.948 34.237 9.398 1.00 0.00 H +ATOM 17638 H2 WAT 5523 32.834 33.216 10.509 1.00 0.00 H +TER +ATOM 17639 O WAT 5524 17.547 16.621 12.823 1.00 0.00 O +ATOM 17640 H1 WAT 5524 18.095 16.440 12.059 1.00 0.00 H +ATOM 17641 H2 WAT 5524 17.613 15.830 13.358 1.00 0.00 H +TER +ATOM 17642 O WAT 5525 18.320 33.211 10.833 1.00 0.00 O +ATOM 17643 H1 WAT 5525 17.726 33.080 11.572 1.00 0.00 H +ATOM 17644 H2 WAT 5525 18.313 32.375 10.367 1.00 0.00 H +TER +ATOM 17645 O WAT 5526 27.766 16.505 9.036 1.00 0.00 O +ATOM 17646 H1 WAT 5526 26.892 16.838 8.833 1.00 0.00 H +ATOM 17647 H2 WAT 5526 27.657 16.032 9.861 1.00 0.00 H +TER +ATOM 17648 O WAT 5527 28.673 18.712 10.420 1.00 0.00 O +ATOM 17649 H1 WAT 5527 28.344 17.897 10.040 1.00 0.00 H +ATOM 17650 H2 WAT 5527 29.621 18.669 10.296 1.00 0.00 H +TER +ATOM 17651 O WAT 5528 31.126 34.483 7.394 1.00 0.00 O +ATOM 17652 H1 WAT 5528 30.667 35.235 7.019 1.00 0.00 H +ATOM 17653 H2 WAT 5528 30.498 33.764 7.335 1.00 0.00 H +TER +ATOM 17654 O WAT 5529 17.952 30.577 9.783 1.00 0.00 O +ATOM 17655 H1 WAT 5529 17.225 29.958 9.716 1.00 0.00 H +ATOM 17656 H2 WAT 5529 18.012 30.971 8.913 1.00 0.00 H +TER +ATOM 17657 O WAT 5530 21.556 32.792 6.568 1.00 0.00 O +ATOM 17658 H1 WAT 5530 22.073 32.180 6.043 1.00 0.00 H +ATOM 17659 H2 WAT 5530 22.206 33.295 7.060 1.00 0.00 H +TER +ATOM 17660 O WAT 5531 24.296 33.683 7.395 1.00 0.00 O +ATOM 17661 H1 WAT 5531 24.583 33.428 6.519 1.00 0.00 H +ATOM 17662 H2 WAT 5531 24.808 33.130 7.986 1.00 0.00 H +TER +ATOM 17663 O WAT 5532 25.513 17.422 7.975 1.00 0.00 O +ATOM 17664 H1 WAT 5532 24.730 17.896 8.255 1.00 0.00 H +ATOM 17665 H2 WAT 5532 25.220 16.517 7.866 1.00 0.00 H +TER +ATOM 17666 O WAT 5533 30.065 18.124 6.020 1.00 0.00 O +ATOM 17667 H1 WAT 5533 30.506 18.068 5.172 1.00 0.00 H +ATOM 17668 H2 WAT 5533 29.796 19.040 6.091 1.00 0.00 H +TER +ATOM 17669 O WAT 5534 31.929 17.755 4.031 1.00 0.00 O +ATOM 17670 H1 WAT 5534 31.868 16.812 3.884 1.00 0.00 H +ATOM 17671 H2 WAT 5534 32.708 17.863 4.576 1.00 0.00 H +TER +ATOM 17672 O WAT 5535 16.235 33.895 2.993 1.00 0.00 O +ATOM 17673 H1 WAT 5535 16.067 33.262 3.691 1.00 0.00 H +ATOM 17674 H2 WAT 5535 15.368 34.101 2.643 1.00 0.00 H +TER +ATOM 17675 O WAT 5536 23.399 19.840 3.487 1.00 0.00 O +ATOM 17676 H1 WAT 5536 22.586 19.466 3.146 1.00 0.00 H +ATOM 17677 H2 WAT 5536 23.903 19.085 3.789 1.00 0.00 H +TER +ATOM 17678 O WAT 5537 27.901 16.505 4.725 1.00 0.00 O +ATOM 17679 H1 WAT 5537 28.504 17.077 5.200 1.00 0.00 H +ATOM 17680 H2 WAT 5537 27.161 17.068 4.502 1.00 0.00 H +TER +ATOM 17681 O WAT 5538 24.363 34.604 14.762 1.00 0.00 O +ATOM 17682 H1 WAT 5538 25.290 34.369 14.806 1.00 0.00 H +ATOM 17683 H2 WAT 5538 24.348 35.431 14.281 1.00 0.00 H +TER +ATOM 17684 O WAT 5539 21.549 17.269 14.526 1.00 0.00 O +ATOM 17685 H1 WAT 5539 21.268 17.772 13.762 1.00 0.00 H +ATOM 17686 H2 WAT 5539 21.931 16.471 14.161 1.00 0.00 H +TER +ATOM 17687 O WAT 5540 28.151 16.684 15.104 1.00 0.00 O +ATOM 17688 H1 WAT 5540 28.037 17.004 16.000 1.00 0.00 H +ATOM 17689 H2 WAT 5540 28.968 17.085 14.808 1.00 0.00 H +TER +ATOM 17690 O WAT 5541 30.931 33.831 14.586 1.00 0.00 O +ATOM 17691 H1 WAT 5541 31.723 33.336 14.379 1.00 0.00 H +ATOM 17692 H2 WAT 5541 31.224 34.510 15.194 1.00 0.00 H +TER +ATOM 17693 O WAT 5542 27.057 5.929 60.565 1.00 0.00 O +ATOM 17694 H1 WAT 5542 26.976 5.014 60.294 1.00 0.00 H +ATOM 17695 H2 WAT 5542 26.643 6.426 59.859 1.00 0.00 H +TER +ATOM 17696 O WAT 5543 25.188 7.707 62.446 1.00 0.00 O +ATOM 17697 H1 WAT 5543 24.413 7.227 62.736 1.00 0.00 H +ATOM 17698 H2 WAT 5543 25.840 7.027 62.272 1.00 0.00 H +TER +ATOM 17699 O WAT 5544 19.205 8.019 63.324 1.00 0.00 O +ATOM 17700 H1 WAT 5544 18.373 7.764 63.723 1.00 0.00 H +ATOM 17701 H2 WAT 5544 19.813 8.090 64.060 1.00 0.00 H +TER +ATOM 17702 O WAT 5545 29.209 12.113 61.226 1.00 0.00 O +ATOM 17703 H1 WAT 5545 28.747 11.342 61.555 1.00 0.00 H +ATOM 17704 H2 WAT 5545 30.022 12.139 61.731 1.00 0.00 H +TER +ATOM 17705 O WAT 5546 19.185 12.053 63.520 1.00 0.00 O +ATOM 17706 H1 WAT 5546 19.488 11.163 63.341 1.00 0.00 H +ATOM 17707 H2 WAT 5546 19.929 12.610 63.292 1.00 0.00 H +TER +ATOM 17708 O WAT 5547 17.614 2.979 57.108 1.00 0.00 O +ATOM 17709 H1 WAT 5547 16.726 3.321 57.006 1.00 0.00 H +ATOM 17710 H2 WAT 5547 17.898 2.779 56.216 1.00 0.00 H +TER +ATOM 17711 O WAT 5548 15.577 5.580 62.992 1.00 0.00 O +ATOM 17712 H1 WAT 5548 16.149 4.812 62.992 1.00 0.00 H +ATOM 17713 H2 WAT 5548 15.578 5.878 62.083 1.00 0.00 H +TER +ATOM 17714 O WAT 5549 25.435 14.399 60.847 1.00 0.00 O +ATOM 17715 H1 WAT 5549 24.817 14.854 60.276 1.00 0.00 H +ATOM 17716 H2 WAT 5549 26.291 14.554 60.445 1.00 0.00 H +TER +ATOM 17717 O WAT 5550 24.629 10.383 62.453 1.00 0.00 O +ATOM 17718 H1 WAT 5550 24.560 9.442 62.292 1.00 0.00 H +ATOM 17719 H2 WAT 5550 25.391 10.473 63.025 1.00 0.00 H +TER +ATOM 17720 O WAT 5551 25.660 3.190 62.680 1.00 0.00 O +ATOM 17721 H1 WAT 5551 26.036 2.317 62.567 1.00 0.00 H +ATOM 17722 H2 WAT 5551 25.562 3.525 61.789 1.00 0.00 H +TER +ATOM 17723 O WAT 5552 17.439 3.484 63.387 1.00 0.00 O +ATOM 17724 H1 WAT 5552 18.120 3.748 64.006 1.00 0.00 H +ATOM 17725 H2 WAT 5552 17.123 2.644 63.721 1.00 0.00 H +TER +ATOM 17726 O WAT 5553 21.631 4.531 62.474 1.00 0.00 O +ATOM 17727 H1 WAT 5553 22.139 5.029 63.115 1.00 0.00 H +ATOM 17728 H2 WAT 5553 22.162 3.754 62.298 1.00 0.00 H +TER +ATOM 17729 O WAT 5554 26.302 9.283 58.240 1.00 0.00 O +ATOM 17730 H1 WAT 5554 25.683 9.748 57.676 1.00 0.00 H +ATOM 17731 H2 WAT 5554 26.814 9.975 58.657 1.00 0.00 H +TER +ATOM 17732 O WAT 5555 21.165 8.810 64.918 1.00 0.00 O +ATOM 17733 H1 WAT 5555 20.832 9.437 65.560 1.00 0.00 H +ATOM 17734 H2 WAT 5555 21.342 9.336 64.138 1.00 0.00 H +TER +ATOM 17735 O WAT 5556 29.678 2.625 62.386 1.00 0.00 O +ATOM 17736 H1 WAT 5556 28.974 2.913 62.966 1.00 0.00 H +ATOM 17737 H2 WAT 5556 30.040 3.435 62.026 1.00 0.00 H +TER +ATOM 17738 O WAT 5557 15.670 9.968 55.614 1.00 0.00 O +ATOM 17739 H1 WAT 5557 15.293 10.457 54.882 1.00 0.00 H +ATOM 17740 H2 WAT 5557 15.927 10.641 56.244 1.00 0.00 H +TER +ATOM 17741 O WAT 5558 31.295 12.242 64.648 1.00 0.00 O +ATOM 17742 H1 WAT 5558 30.611 12.912 64.640 1.00 0.00 H +ATOM 17743 H2 WAT 5558 31.834 12.440 63.883 1.00 0.00 H +TER +ATOM 17744 O WAT 5559 32.747 2.070 62.777 1.00 0.00 O +ATOM 17745 H1 WAT 5559 31.800 2.104 62.908 1.00 0.00 H +ATOM 17746 H2 WAT 5559 33.072 2.884 63.162 1.00 0.00 H +TER +ATOM 17747 O WAT 5560 28.830 14.087 63.363 1.00 0.00 O +ATOM 17748 H1 WAT 5560 28.843 13.683 62.495 1.00 0.00 H +ATOM 17749 H2 WAT 5560 28.278 14.861 63.259 1.00 0.00 H +TER +ATOM 17750 O WAT 5561 30.125 10.808 58.452 1.00 0.00 O +ATOM 17751 H1 WAT 5561 30.015 9.866 58.577 1.00 0.00 H +ATOM 17752 H2 WAT 5561 30.122 11.170 59.338 1.00 0.00 H +TER +ATOM 17753 O WAT 5562 28.229 8.990 64.691 1.00 0.00 O +ATOM 17754 H1 WAT 5562 28.646 8.776 63.857 1.00 0.00 H +ATOM 17755 H2 WAT 5562 28.953 9.247 65.262 1.00 0.00 H +TER +ATOM 17756 O WAT 5563 25.667 6.435 57.808 1.00 0.00 O +ATOM 17757 H1 WAT 5563 24.740 6.368 58.037 1.00 0.00 H +ATOM 17758 H2 WAT 5563 25.820 7.373 57.694 1.00 0.00 H +TER +ATOM 17759 O WAT 5564 25.654 2.706 54.805 1.00 0.00 O +ATOM 17760 H1 WAT 5564 24.714 2.868 54.890 1.00 0.00 H +ATOM 17761 H2 WAT 5564 25.972 3.425 54.259 1.00 0.00 H +TER +ATOM 17762 O WAT 5565 32.175 7.388 64.783 1.00 0.00 O +ATOM 17763 H1 WAT 5565 31.347 7.458 64.308 1.00 0.00 H +ATOM 17764 H2 WAT 5565 32.770 7.974 64.314 1.00 0.00 H +TER +ATOM 17765 O WAT 5566 29.697 7.997 58.312 1.00 0.00 O +ATOM 17766 H1 WAT 5566 29.078 7.659 57.664 1.00 0.00 H +ATOM 17767 H2 WAT 5566 29.679 7.353 59.020 1.00 0.00 H +TER +ATOM 17768 O WAT 5567 29.139 4.175 65.728 1.00 0.00 O +ATOM 17769 H1 WAT 5567 28.727 5.001 65.982 1.00 0.00 H +ATOM 17770 H2 WAT 5567 28.407 3.590 65.536 1.00 0.00 H +TER +ATOM 17771 O WAT 5568 21.273 6.961 60.590 1.00 0.00 O +ATOM 17772 H1 WAT 5568 20.868 6.249 60.095 1.00 0.00 H +ATOM 17773 H2 WAT 5568 21.359 6.617 61.479 1.00 0.00 H +TER +ATOM 17774 O WAT 5569 21.741 10.648 62.754 1.00 0.00 O +ATOM 17775 H1 WAT 5569 21.444 10.043 62.075 1.00 0.00 H +ATOM 17776 H2 WAT 5569 22.691 10.686 62.643 1.00 0.00 H +TER +ATOM 17777 O WAT 5570 19.986 3.736 64.370 1.00 0.00 O +ATOM 17778 H1 WAT 5570 20.537 3.845 63.595 1.00 0.00 H +ATOM 17779 H2 WAT 5570 20.500 4.109 65.086 1.00 0.00 H +TER +ATOM 17780 O WAT 5571 27.873 7.235 55.319 1.00 0.00 O +ATOM 17781 H1 WAT 5571 28.313 6.398 55.173 1.00 0.00 H +ATOM 17782 H2 WAT 5571 28.586 7.868 55.405 1.00 0.00 H +TER +ATOM 17783 O WAT 5572 25.983 12.175 59.287 1.00 0.00 O +ATOM 17784 H1 WAT 5572 26.422 12.918 58.873 1.00 0.00 H +ATOM 17785 H2 WAT 5572 25.921 12.418 60.211 1.00 0.00 H +TER +ATOM 17786 O WAT 5573 17.973 5.856 58.091 1.00 0.00 O +ATOM 17787 H1 WAT 5573 17.853 6.582 57.479 1.00 0.00 H +ATOM 17788 H2 WAT 5573 17.663 5.086 57.614 1.00 0.00 H +TER +ATOM 17789 O WAT 5574 15.612 9.027 63.898 1.00 0.00 O +ATOM 17790 H1 WAT 5574 15.690 9.162 62.953 1.00 0.00 H +ATOM 17791 H2 WAT 5574 16.226 8.319 64.091 1.00 0.00 H +TER +ATOM 17792 O WAT 5575 16.856 10.727 60.308 1.00 0.00 O +ATOM 17793 H1 WAT 5575 16.449 10.869 59.454 1.00 0.00 H +ATOM 17794 H2 WAT 5575 17.748 10.443 60.105 1.00 0.00 H +TER +ATOM 17795 O WAT 5576 28.650 15.162 56.643 1.00 0.00 O +ATOM 17796 H1 WAT 5576 28.490 14.872 57.542 1.00 0.00 H +ATOM 17797 H2 WAT 5576 28.484 14.386 56.108 1.00 0.00 H +TER +ATOM 17798 O WAT 5577 21.129 14.942 58.421 1.00 0.00 O +ATOM 17799 H1 WAT 5577 20.953 14.025 58.207 1.00 0.00 H +ATOM 17800 H2 WAT 5577 20.274 15.301 58.660 1.00 0.00 H +TER +ATOM 17801 O WAT 5578 28.352 12.671 55.203 1.00 0.00 O +ATOM 17802 H1 WAT 5578 27.659 12.668 54.543 1.00 0.00 H +ATOM 17803 H2 WAT 5578 29.095 12.247 54.773 1.00 0.00 H +TER +ATOM 17804 O WAT 5579 27.917 14.297 59.278 1.00 0.00 O +ATOM 17805 H1 WAT 5579 28.373 13.516 59.592 1.00 0.00 H +ATOM 17806 H2 WAT 5579 28.257 15.008 59.822 1.00 0.00 H +TER +ATOM 17807 O WAT 5580 20.231 4.323 59.201 1.00 0.00 O +ATOM 17808 H1 WAT 5580 20.005 4.106 60.106 1.00 0.00 H +ATOM 17809 H2 WAT 5580 19.450 4.755 58.856 1.00 0.00 H +TER +ATOM 17810 O WAT 5581 27.461 4.329 57.800 1.00 0.00 O +ATOM 17811 H1 WAT 5581 26.862 5.053 57.617 1.00 0.00 H +ATOM 17812 H2 WAT 5581 28.009 4.267 57.018 1.00 0.00 H +TER +ATOM 17813 O WAT 5582 26.067 2.965 59.831 1.00 0.00 O +ATOM 17814 H1 WAT 5582 26.460 3.283 59.018 1.00 0.00 H +ATOM 17815 H2 WAT 5582 26.429 2.086 59.945 1.00 0.00 H +TER +ATOM 17816 O WAT 5583 15.291 3.497 53.264 1.00 0.00 O +ATOM 17817 H1 WAT 5583 15.208 4.440 53.406 1.00 0.00 H +ATOM 17818 H2 WAT 5583 14.939 3.355 52.385 1.00 0.00 H +TER +ATOM 17819 O WAT 5584 26.653 5.556 63.926 1.00 0.00 O +ATOM 17820 H1 WAT 5584 25.921 6.065 64.275 1.00 0.00 H +ATOM 17821 H2 WAT 5584 26.255 4.739 63.625 1.00 0.00 H +TER +ATOM 17822 O WAT 5585 23.152 3.232 55.322 1.00 0.00 O +ATOM 17823 H1 WAT 5585 23.274 3.191 56.270 1.00 0.00 H +ATOM 17824 H2 WAT 5585 22.767 4.095 55.166 1.00 0.00 H +TER +ATOM 17825 O WAT 5586 22.165 5.543 54.720 1.00 0.00 O +ATOM 17826 H1 WAT 5586 21.596 5.094 54.094 1.00 0.00 H +ATOM 17827 H2 WAT 5586 22.874 5.902 54.187 1.00 0.00 H +TER +ATOM 17828 O WAT 5587 23.391 6.291 64.078 1.00 0.00 O +ATOM 17829 H1 WAT 5587 23.758 5.817 64.824 1.00 0.00 H +ATOM 17830 H2 WAT 5587 23.202 7.166 64.418 1.00 0.00 H +TER +ATOM 17831 O WAT 5588 19.709 9.538 56.993 1.00 0.00 O +ATOM 17832 H1 WAT 5588 18.936 8.998 56.833 1.00 0.00 H +ATOM 17833 H2 WAT 5588 20.439 9.019 56.654 1.00 0.00 H +TER +ATOM 17834 O WAT 5589 30.468 8.535 62.785 1.00 0.00 O +ATOM 17835 H1 WAT 5589 31.188 9.030 62.395 1.00 0.00 H +ATOM 17836 H2 WAT 5589 30.266 7.857 62.141 1.00 0.00 H +TER +ATOM 17837 O WAT 5590 28.644 4.301 55.225 1.00 0.00 O +ATOM 17838 H1 WAT 5590 29.532 4.612 55.050 1.00 0.00 H +ATOM 17839 H2 WAT 5590 28.615 3.428 54.833 1.00 0.00 H +TER +ATOM 17840 O WAT 5591 19.753 9.206 60.631 1.00 0.00 O +ATOM 17841 H1 WAT 5591 20.271 8.403 60.576 1.00 0.00 H +ATOM 17842 H2 WAT 5591 19.302 9.144 61.472 1.00 0.00 H +TER +ATOM 17843 O WAT 5592 24.640 10.473 55.903 1.00 0.00 O +ATOM 17844 H1 WAT 5592 24.982 11.217 55.408 1.00 0.00 H +ATOM 17845 H2 WAT 5592 23.811 10.786 56.266 1.00 0.00 H +TER +ATOM 17846 O WAT 5593 30.915 5.612 54.692 1.00 0.00 O +ATOM 17847 H1 WAT 5593 30.832 6.043 53.842 1.00 0.00 H +ATOM 17848 H2 WAT 5593 31.635 6.072 55.125 1.00 0.00 H +TER +ATOM 17849 O WAT 5594 31.944 12.466 57.421 1.00 0.00 O +ATOM 17850 H1 WAT 5594 31.302 11.812 57.695 1.00 0.00 H +ATOM 17851 H2 WAT 5594 31.557 12.872 56.645 1.00 0.00 H +TER +ATOM 17852 O WAT 5595 27.523 9.795 61.268 1.00 0.00 O +ATOM 17853 H1 WAT 5595 27.875 9.197 60.608 1.00 0.00 H +ATOM 17854 H2 WAT 5595 26.639 9.469 61.439 1.00 0.00 H +TER +ATOM 17855 O WAT 5596 23.609 10.554 58.675 1.00 0.00 O +ATOM 17856 H1 WAT 5596 24.296 11.101 59.056 1.00 0.00 H +ATOM 17857 H2 WAT 5596 22.822 11.099 58.710 1.00 0.00 H +TER +ATOM 17858 O WAT 5597 15.748 6.172 54.167 1.00 0.00 O +ATOM 17859 H1 WAT 5597 16.618 6.454 54.450 1.00 0.00 H +ATOM 17860 H2 WAT 5597 15.257 6.985 54.052 1.00 0.00 H +TER +ATOM 17861 O WAT 5598 22.912 7.559 58.287 1.00 0.00 O +ATOM 17862 H1 WAT 5598 23.368 8.370 58.513 1.00 0.00 H +ATOM 17863 H2 WAT 5598 22.561 7.241 59.119 1.00 0.00 H +TER +ATOM 17864 O WAT 5599 26.488 11.073 64.234 1.00 0.00 O +ATOM 17865 H1 WAT 5599 27.131 10.372 64.348 1.00 0.00 H +ATOM 17866 H2 WAT 5599 27.013 11.853 64.054 1.00 0.00 H +TER +ATOM 17867 O WAT 5600 30.334 11.358 53.958 1.00 0.00 O +ATOM 17868 H1 WAT 5600 30.108 10.641 54.551 1.00 0.00 H +ATOM 17869 H2 WAT 5600 29.944 11.109 53.121 1.00 0.00 H +TER +ATOM 17870 O WAT 5601 16.116 15.384 54.733 1.00 0.00 O +ATOM 17871 H1 WAT 5601 16.475 15.983 54.079 1.00 0.00 H +ATOM 17872 H2 WAT 5601 15.975 15.930 55.506 1.00 0.00 H +TER +ATOM 17873 O WAT 5602 29.916 9.275 55.620 1.00 0.00 O +ATOM 17874 H1 WAT 5602 29.628 9.736 56.408 1.00 0.00 H +ATOM 17875 H2 WAT 5602 30.711 8.815 55.888 1.00 0.00 H +TER +ATOM 17876 O WAT 5603 22.132 12.768 55.550 1.00 0.00 O +ATOM 17877 H1 WAT 5603 22.123 13.501 54.935 1.00 0.00 H +ATOM 17878 H2 WAT 5603 21.212 12.521 55.643 1.00 0.00 H +TER +ATOM 17879 O WAT 5604 17.733 7.989 56.295 1.00 0.00 O +ATOM 17880 H1 WAT 5604 17.126 8.729 56.304 1.00 0.00 H +ATOM 17881 H2 WAT 5604 18.208 8.079 55.469 1.00 0.00 H +TER +ATOM 17882 O WAT 5605 25.118 12.830 54.213 1.00 0.00 O +ATOM 17883 H1 WAT 5605 25.220 12.627 53.283 1.00 0.00 H +ATOM 17884 H2 WAT 5605 24.219 12.576 54.417 1.00 0.00 H +TER +ATOM 17885 O WAT 5606 22.641 3.388 58.195 1.00 0.00 O +ATOM 17886 H1 WAT 5606 21.933 3.857 58.636 1.00 0.00 H +ATOM 17887 H2 WAT 5606 22.925 2.731 58.830 1.00 0.00 H +TER +ATOM 17888 O WAT 5607 23.760 15.349 58.907 1.00 0.00 O +ATOM 17889 H1 WAT 5607 24.014 15.311 57.985 1.00 0.00 H +ATOM 17890 H2 WAT 5607 22.811 15.222 58.900 1.00 0.00 H +TER +ATOM 17891 O WAT 5608 29.765 6.268 60.483 1.00 0.00 O +ATOM 17892 H1 WAT 5608 28.824 6.283 60.658 1.00 0.00 H +ATOM 17893 H2 WAT 5608 30.080 5.482 60.929 1.00 0.00 H +TER +ATOM 17894 O WAT 5609 19.744 7.950 54.044 1.00 0.00 O +ATOM 17895 H1 WAT 5609 20.510 7.838 54.606 1.00 0.00 H +ATOM 17896 H2 WAT 5609 19.821 7.254 53.391 1.00 0.00 H +TER +ATOM 17897 O WAT 5610 18.438 5.383 54.727 1.00 0.00 O +ATOM 17898 H1 WAT 5610 18.519 4.435 54.839 1.00 0.00 H +ATOM 17899 H2 WAT 5610 19.330 5.713 54.833 1.00 0.00 H +TER +ATOM 17900 O WAT 5611 31.768 13.439 62.159 1.00 0.00 O +ATOM 17901 H1 WAT 5611 31.893 14.262 62.631 1.00 0.00 H +ATOM 17902 H2 WAT 5611 32.635 13.228 61.811 1.00 0.00 H +TER +ATOM 17903 O WAT 5612 19.240 15.532 61.830 1.00 0.00 O +ATOM 17904 H1 WAT 5612 19.976 14.984 62.101 1.00 0.00 H +ATOM 17905 H2 WAT 5612 19.624 16.398 61.691 1.00 0.00 H +TER +ATOM 17906 O WAT 5613 16.124 11.600 57.705 1.00 0.00 O +ATOM 17907 H1 WAT 5613 15.198 11.842 57.695 1.00 0.00 H +ATOM 17908 H2 WAT 5613 16.590 12.427 57.583 1.00 0.00 H +TER +ATOM 17909 O WAT 5614 22.350 14.705 53.653 1.00 0.00 O +ATOM 17910 H1 WAT 5614 23.143 14.994 53.201 1.00 0.00 H +ATOM 17911 H2 WAT 5614 21.830 14.274 52.974 1.00 0.00 H +TER +ATOM 17912 O WAT 5615 31.403 13.932 55.077 1.00 0.00 O +ATOM 17913 H1 WAT 5615 31.117 13.519 54.262 1.00 0.00 H +ATOM 17914 H2 WAT 5615 31.205 14.861 54.957 1.00 0.00 H +TER +ATOM 17915 O WAT 5616 22.868 9.926 53.517 1.00 0.00 O +ATOM 17916 H1 WAT 5616 22.763 9.311 54.243 1.00 0.00 H +ATOM 17917 H2 WAT 5616 22.700 9.402 52.734 1.00 0.00 H +TER +ATOM 17918 O WAT 5617 26.108 8.988 54.121 1.00 0.00 O +ATOM 17919 H1 WAT 5617 25.559 9.435 54.766 1.00 0.00 H +ATOM 17920 H2 WAT 5617 26.730 8.483 54.645 1.00 0.00 H +TER +ATOM 17921 O WAT 5618 21.775 7.947 56.018 1.00 0.00 O +ATOM 17922 H1 WAT 5618 22.197 7.781 56.861 1.00 0.00 H +ATOM 17923 H2 WAT 5618 21.901 7.137 55.523 1.00 0.00 H +TER +ATOM 17924 O WAT 5619 24.288 6.970 53.266 1.00 0.00 O +ATOM 17925 H1 WAT 5619 24.809 6.255 52.900 1.00 0.00 H +ATOM 17926 H2 WAT 5619 24.935 7.609 53.566 1.00 0.00 H +TER +ATOM 17927 O WAT 5620 20.671 4.020 52.964 1.00 0.00 O +ATOM 17928 H1 WAT 5620 20.470 3.157 53.325 1.00 0.00 H +ATOM 17929 H2 WAT 5620 20.501 3.933 52.026 1.00 0.00 H +TER +ATOM 17930 O WAT 5621 24.853 15.052 55.556 1.00 0.00 O +ATOM 17931 H1 WAT 5621 25.748 15.390 55.578 1.00 0.00 H +ATOM 17932 H2 WAT 5621 24.885 14.330 54.928 1.00 0.00 H +TER +ATOM 17933 O WAT 5622 18.493 10.424 53.785 1.00 0.00 O +ATOM 17934 H1 WAT 5622 18.930 10.967 54.440 1.00 0.00 H +ATOM 17935 H2 WAT 5622 18.977 9.599 53.794 1.00 0.00 H +TER +ATOM 17936 O WAT 5623 15.707 13.213 61.237 1.00 0.00 O +ATOM 17937 H1 WAT 5623 16.038 12.345 61.004 1.00 0.00 H +ATOM 17938 H2 WAT 5623 16.136 13.419 62.067 1.00 0.00 H +TER +ATOM 17939 O WAT 5624 20.303 11.544 58.897 1.00 0.00 O +ATOM 17940 H1 WAT 5624 20.003 11.421 59.797 1.00 0.00 H +ATOM 17941 H2 WAT 5624 20.197 10.685 58.488 1.00 0.00 H +TER +ATOM 17942 O WAT 5625 16.196 14.080 63.975 1.00 0.00 O +ATOM 17943 H1 WAT 5625 15.759 14.260 64.807 1.00 0.00 H +ATOM 17944 H2 WAT 5625 16.764 14.838 63.833 1.00 0.00 H +TER +ATOM 17945 O WAT 5626 33.073 11.324 53.599 1.00 0.00 O +ATOM 17946 H1 WAT 5626 32.242 11.391 54.070 1.00 0.00 H +ATOM 17947 H2 WAT 5626 33.250 12.214 53.296 1.00 0.00 H +TER +ATOM 17948 O WAT 5627 32.528 8.069 56.103 1.00 0.00 O +ATOM 17949 H1 WAT 5627 33.290 8.638 56.209 1.00 0.00 H +ATOM 17950 H2 WAT 5627 32.544 7.501 56.874 1.00 0.00 H +TER +ATOM 17951 O WAT 5628 16.029 6.592 60.334 1.00 0.00 O +ATOM 17952 H1 WAT 5628 15.374 6.323 59.690 1.00 0.00 H +ATOM 17953 H2 WAT 5628 16.866 6.483 59.884 1.00 0.00 H +TER +ATOM 17954 O WAT 5629 33.534 8.924 60.947 1.00 0.00 O +ATOM 17955 H1 WAT 5629 33.905 8.140 60.541 1.00 0.00 H +ATOM 17956 H2 WAT 5629 34.174 9.612 60.769 1.00 0.00 H +TER +ATOM 17957 O WAT 5630 32.580 8.362 53.260 1.00 0.00 O +ATOM 17958 H1 WAT 5630 32.855 9.270 53.132 1.00 0.00 H +ATOM 17959 H2 WAT 5630 32.391 8.298 54.196 1.00 0.00 H +TER +ATOM 17960 O WAT 5631 32.477 6.299 58.253 1.00 0.00 O +ATOM 17961 H1 WAT 5631 32.101 5.532 57.821 1.00 0.00 H +ATOM 17962 H2 WAT 5631 31.747 6.681 58.741 1.00 0.00 H +TER +ATOM 17963 O WAT 5632 17.066 6.978 64.874 1.00 0.00 O +ATOM 17964 H1 WAT 5632 17.434 6.890 65.754 1.00 0.00 H +ATOM 17965 H2 WAT 5632 16.497 6.214 64.775 1.00 0.00 H +TER +ATOM 17966 O WAT 5633 15.243 3.802 56.276 1.00 0.00 O +ATOM 17967 H1 WAT 5633 14.339 4.065 56.101 1.00 0.00 H +ATOM 17968 H2 WAT 5633 15.727 4.073 55.496 1.00 0.00 H +TER +ATOM 17969 O WAT 5634 31.752 4.525 61.554 1.00 0.00 O +ATOM 17970 H1 WAT 5634 32.276 4.031 60.923 1.00 0.00 H +ATOM 17971 H2 WAT 5634 32.338 4.660 62.299 1.00 0.00 H +TER +ATOM 17972 O WAT 5635 31.931 4.609 65.076 1.00 0.00 O +ATOM 17973 H1 WAT 5635 30.981 4.575 65.190 1.00 0.00 H +ATOM 17974 H2 WAT 5635 32.112 5.519 64.841 1.00 0.00 H +TER +ATOM 17975 O WAT 5636 17.785 2.859 54.186 1.00 0.00 O +ATOM 17976 H1 WAT 5636 18.494 2.437 53.700 1.00 0.00 H +ATOM 17977 H2 WAT 5636 17.069 2.926 53.554 1.00 0.00 H +TER +ATOM 17978 O WAT 5637 31.242 3.782 57.493 1.00 0.00 O +ATOM 17979 H1 WAT 5637 31.738 3.549 58.278 1.00 0.00 H +ATOM 17980 H2 WAT 5637 31.043 2.943 57.077 1.00 0.00 H +TER +ATOM 17981 O WAT 5638 32.671 2.418 60.027 1.00 0.00 O +ATOM 17982 H1 WAT 5638 32.560 2.264 60.965 1.00 0.00 H +ATOM 17983 H2 WAT 5638 33.431 1.890 59.784 1.00 0.00 H +TER +ATOM 17984 O WAT 5639 30.575 15.059 59.887 1.00 0.00 O +ATOM 17985 H1 WAT 5639 31.171 14.738 59.210 1.00 0.00 H +ATOM 17986 H2 WAT 5639 30.833 14.586 60.678 1.00 0.00 H +TER +ATOM 17987 O WAT 5640 22.182 13.047 65.637 1.00 0.00 O +ATOM 17988 H1 WAT 5640 21.941 13.314 64.750 1.00 0.00 H +ATOM 17989 H2 WAT 5640 23.122 13.217 65.692 1.00 0.00 H +TER +ATOM 17990 O WAT 5641 31.126 15.709 63.717 1.00 0.00 O +ATOM 17991 H1 WAT 5641 30.667 16.460 63.342 1.00 0.00 H +ATOM 17992 H2 WAT 5641 30.498 14.989 63.658 1.00 0.00 H +TER +ATOM 17993 O WAT 5642 21.556 14.017 62.891 1.00 0.00 O +ATOM 17994 H1 WAT 5642 22.073 13.406 62.366 1.00 0.00 H +ATOM 17995 H2 WAT 5642 22.206 14.520 63.383 1.00 0.00 H +TER +ATOM 17996 O WAT 5643 24.296 14.908 63.718 1.00 0.00 O +ATOM 17997 H1 WAT 5643 24.583 14.654 62.842 1.00 0.00 H +ATOM 17998 H2 WAT 5643 24.808 14.356 64.309 1.00 0.00 H +TER +ATOM 17999 O WAT 5644 16.235 15.120 59.316 1.00 0.00 O +ATOM 18000 H1 WAT 5644 16.067 14.487 60.014 1.00 0.00 H +ATOM 18001 H2 WAT 5644 15.368 15.326 58.966 1.00 0.00 H +TER +ATOM 18002 O WAT 5645 17.841 13.814 56.761 1.00 0.00 O +ATOM 18003 H1 WAT 5645 17.316 14.194 56.057 1.00 0.00 H +ATOM 18004 H2 WAT 5645 17.765 14.439 57.482 1.00 0.00 H +TER +ATOM 18005 O WAT 5646 32.597 15.372 58.083 1.00 0.00 O +ATOM 18006 H1 WAT 5646 32.773 14.686 57.439 1.00 0.00 H +ATOM 18007 H2 WAT 5646 31.899 15.897 57.690 1.00 0.00 H +TER +ATOM 18008 O WAT 5647 20.440 15.762 55.636 1.00 0.00 O +ATOM 18009 H1 WAT 5647 21.172 15.478 55.089 1.00 0.00 H +ATOM 18010 H2 WAT 5647 20.699 15.523 56.526 1.00 0.00 H +TER +ATOM 18011 O WAT 5648 19.602 11.878 55.641 1.00 0.00 O +ATOM 18012 H1 WAT 5648 18.972 12.347 56.189 1.00 0.00 H +ATOM 18013 H2 WAT 5648 19.716 11.033 56.075 1.00 0.00 H +TER +ATOM 18014 O WAT 5649 27.057 5.929 41.791 1.00 0.00 O +ATOM 18015 H1 WAT 5649 26.976 5.014 41.520 1.00 0.00 H +ATOM 18016 H2 WAT 5649 26.643 6.426 41.085 1.00 0.00 H +TER +ATOM 18017 O WAT 5650 25.188 7.707 43.672 1.00 0.00 O +ATOM 18018 H1 WAT 5650 24.413 7.227 43.962 1.00 0.00 H +ATOM 18019 H2 WAT 5650 25.840 7.027 43.497 1.00 0.00 H +TER +ATOM 18020 O WAT 5651 19.205 8.019 44.549 1.00 0.00 O +ATOM 18021 H1 WAT 5651 18.373 7.764 44.949 1.00 0.00 H +ATOM 18022 H2 WAT 5651 19.813 8.090 45.285 1.00 0.00 H +TER +ATOM 18023 O WAT 5652 29.209 12.113 42.452 1.00 0.00 O +ATOM 18024 H1 WAT 5652 28.747 11.342 42.780 1.00 0.00 H +ATOM 18025 H2 WAT 5652 30.022 12.139 42.957 1.00 0.00 H +TER +ATOM 18026 O WAT 5653 19.185 12.053 44.745 1.00 0.00 O +ATOM 18027 H1 WAT 5653 19.488 11.163 44.566 1.00 0.00 H +ATOM 18028 H2 WAT 5653 19.929 12.610 44.517 1.00 0.00 H +TER +ATOM 18029 O WAT 5654 17.614 2.979 38.334 1.00 0.00 O +ATOM 18030 H1 WAT 5654 16.726 3.321 38.232 1.00 0.00 H +ATOM 18031 H2 WAT 5654 17.898 2.779 37.442 1.00 0.00 H +TER +ATOM 18032 O WAT 5655 15.577 5.580 44.218 1.00 0.00 O +ATOM 18033 H1 WAT 5655 16.149 4.812 44.218 1.00 0.00 H +ATOM 18034 H2 WAT 5655 15.578 5.878 43.308 1.00 0.00 H +TER +ATOM 18035 O WAT 5656 25.435 14.399 42.072 1.00 0.00 O +ATOM 18036 H1 WAT 5656 24.817 14.854 41.502 1.00 0.00 H +ATOM 18037 H2 WAT 5656 26.291 14.554 41.671 1.00 0.00 H +TER +ATOM 18038 O WAT 5657 24.629 10.383 43.679 1.00 0.00 O +ATOM 18039 H1 WAT 5657 24.560 9.442 43.518 1.00 0.00 H +ATOM 18040 H2 WAT 5657 25.391 10.473 44.251 1.00 0.00 H +TER +ATOM 18041 O WAT 5658 25.660 3.190 43.906 1.00 0.00 O +ATOM 18042 H1 WAT 5658 26.036 2.317 43.793 1.00 0.00 H +ATOM 18043 H2 WAT 5658 25.562 3.525 43.015 1.00 0.00 H +TER +ATOM 18044 O WAT 5659 17.439 3.484 44.613 1.00 0.00 O +ATOM 18045 H1 WAT 5659 18.120 3.748 45.231 1.00 0.00 H +ATOM 18046 H2 WAT 5659 17.123 2.644 44.947 1.00 0.00 H +TER +ATOM 18047 O WAT 5660 21.631 4.531 43.700 1.00 0.00 O +ATOM 18048 H1 WAT 5660 22.139 5.029 44.341 1.00 0.00 H +ATOM 18049 H2 WAT 5660 22.162 3.754 43.524 1.00 0.00 H +TER +ATOM 18050 O WAT 5661 33.732 2.701 47.403 1.00 0.00 O +ATOM 18051 H1 WAT 5661 33.027 3.089 46.884 1.00 0.00 H +ATOM 18052 H2 WAT 5661 33.998 3.396 48.005 1.00 0.00 H +TER +ATOM 18053 O WAT 5662 26.302 9.283 39.465 1.00 0.00 O +ATOM 18054 H1 WAT 5662 25.683 9.748 38.902 1.00 0.00 H +ATOM 18055 H2 WAT 5662 26.814 9.975 39.882 1.00 0.00 H +TER +ATOM 18056 O WAT 5663 21.165 8.810 46.144 1.00 0.00 O +ATOM 18057 H1 WAT 5663 20.832 9.437 46.786 1.00 0.00 H +ATOM 18058 H2 WAT 5663 21.342 9.336 45.364 1.00 0.00 H +TER +ATOM 18059 O WAT 5664 29.678 2.625 43.611 1.00 0.00 O +ATOM 18060 H1 WAT 5664 28.974 2.913 44.192 1.00 0.00 H +ATOM 18061 H2 WAT 5664 30.040 3.435 43.251 1.00 0.00 H +TER +ATOM 18062 O WAT 5665 20.377 10.778 47.959 1.00 0.00 O +ATOM 18063 H1 WAT 5665 20.994 11.453 47.677 1.00 0.00 H +ATOM 18064 H2 WAT 5665 19.516 11.187 47.867 1.00 0.00 H +TER +ATOM 18065 O WAT 5666 15.670 9.968 36.839 1.00 0.00 O +ATOM 18066 H1 WAT 5666 15.293 10.457 36.108 1.00 0.00 H +ATOM 18067 H2 WAT 5666 15.927 10.641 37.470 1.00 0.00 H +TER +ATOM 18068 O WAT 5667 31.295 12.242 45.874 1.00 0.00 O +ATOM 18069 H1 WAT 5667 30.611 12.912 45.866 1.00 0.00 H +ATOM 18070 H2 WAT 5667 31.834 12.440 45.109 1.00 0.00 H +TER +ATOM 18071 O WAT 5668 32.747 2.070 44.002 1.00 0.00 O +ATOM 18072 H1 WAT 5668 31.800 2.104 44.134 1.00 0.00 H +ATOM 18073 H2 WAT 5668 33.072 2.884 44.387 1.00 0.00 H +TER +ATOM 18074 O WAT 5669 28.830 14.087 44.589 1.00 0.00 O +ATOM 18075 H1 WAT 5669 28.843 13.683 43.721 1.00 0.00 H +ATOM 18076 H2 WAT 5669 28.278 14.861 44.485 1.00 0.00 H +TER +ATOM 18077 O WAT 5670 30.125 10.808 39.678 1.00 0.00 O +ATOM 18078 H1 WAT 5670 30.015 9.866 39.803 1.00 0.00 H +ATOM 18079 H2 WAT 5670 30.122 11.170 40.564 1.00 0.00 H +TER +ATOM 18080 O WAT 5671 28.229 8.990 45.917 1.00 0.00 O +ATOM 18081 H1 WAT 5671 28.646 8.776 45.082 1.00 0.00 H +ATOM 18082 H2 WAT 5671 28.953 9.247 46.488 1.00 0.00 H +TER +ATOM 18083 O WAT 5672 25.667 6.435 39.034 1.00 0.00 O +ATOM 18084 H1 WAT 5672 24.740 6.368 39.263 1.00 0.00 H +ATOM 18085 H2 WAT 5672 25.820 7.373 38.919 1.00 0.00 H +TER +ATOM 18086 O WAT 5673 25.654 2.706 36.031 1.00 0.00 O +ATOM 18087 H1 WAT 5673 24.714 2.868 36.116 1.00 0.00 H +ATOM 18088 H2 WAT 5673 25.972 3.425 35.484 1.00 0.00 H +TER +ATOM 18089 O WAT 5674 32.175 7.388 46.008 1.00 0.00 O +ATOM 18090 H1 WAT 5674 31.347 7.458 45.534 1.00 0.00 H +ATOM 18091 H2 WAT 5674 32.770 7.974 45.540 1.00 0.00 H +TER +ATOM 18092 O WAT 5675 29.697 7.997 39.537 1.00 0.00 O +ATOM 18093 H1 WAT 5675 29.078 7.659 38.890 1.00 0.00 H +ATOM 18094 H2 WAT 5675 29.679 7.353 40.245 1.00 0.00 H +TER +ATOM 18095 O WAT 5676 29.139 4.175 46.954 1.00 0.00 O +ATOM 18096 H1 WAT 5676 28.727 5.001 47.208 1.00 0.00 H +ATOM 18097 H2 WAT 5676 28.407 3.590 46.762 1.00 0.00 H +TER +ATOM 18098 O WAT 5677 21.273 6.961 41.816 1.00 0.00 O +ATOM 18099 H1 WAT 5677 20.868 6.249 41.320 1.00 0.00 H +ATOM 18100 H2 WAT 5677 21.359 6.617 42.705 1.00 0.00 H +TER +ATOM 18101 O WAT 5678 21.741 10.648 43.980 1.00 0.00 O +ATOM 18102 H1 WAT 5678 21.444 10.043 43.301 1.00 0.00 H +ATOM 18103 H2 WAT 5678 22.691 10.686 43.869 1.00 0.00 H +TER +ATOM 18104 O WAT 5679 19.986 3.736 45.596 1.00 0.00 O +ATOM 18105 H1 WAT 5679 20.537 3.845 44.821 1.00 0.00 H +ATOM 18106 H2 WAT 5679 20.500 4.109 46.311 1.00 0.00 H +TER +ATOM 18107 O WAT 5680 29.829 14.221 47.642 1.00 0.00 O +ATOM 18108 H1 WAT 5680 29.352 15.028 47.449 1.00 0.00 H +ATOM 18109 H2 WAT 5680 29.146 13.569 47.795 1.00 0.00 H +TER +ATOM 18110 O WAT 5681 20.833 10.386 50.631 1.00 0.00 O +ATOM 18111 H1 WAT 5681 19.936 10.610 50.878 1.00 0.00 H +ATOM 18112 H2 WAT 5681 20.858 10.510 49.682 1.00 0.00 H +TER +ATOM 18113 O WAT 5682 27.873 7.235 36.545 1.00 0.00 O +ATOM 18114 H1 WAT 5682 28.313 6.398 36.398 1.00 0.00 H +ATOM 18115 H2 WAT 5682 28.586 7.868 36.631 1.00 0.00 H +TER +ATOM 18116 O WAT 5683 19.660 7.257 49.206 1.00 0.00 O +ATOM 18117 H1 WAT 5683 19.521 8.130 49.575 1.00 0.00 H +ATOM 18118 H2 WAT 5683 18.778 6.915 49.061 1.00 0.00 H +TER +ATOM 18119 O WAT 5684 25.983 12.175 40.513 1.00 0.00 O +ATOM 18120 H1 WAT 5684 26.422 12.918 40.098 1.00 0.00 H +ATOM 18121 H2 WAT 5684 25.921 12.418 41.437 1.00 0.00 H +TER +ATOM 18122 O WAT 5685 21.458 13.200 51.415 1.00 0.00 O +ATOM 18123 H1 WAT 5685 21.429 13.604 50.548 1.00 0.00 H +ATOM 18124 H2 WAT 5685 21.294 12.271 51.252 1.00 0.00 H +TER +ATOM 18125 O WAT 5686 17.973 5.856 39.317 1.00 0.00 O +ATOM 18126 H1 WAT 5686 17.853 6.582 38.705 1.00 0.00 H +ATOM 18127 H2 WAT 5686 17.663 5.086 38.839 1.00 0.00 H +TER +ATOM 18128 O WAT 5687 33.409 13.982 52.711 1.00 0.00 O +ATOM 18129 H1 WAT 5687 33.885 14.461 53.390 1.00 0.00 H +ATOM 18130 H2 WAT 5687 34.030 13.914 51.986 1.00 0.00 H +TER +ATOM 18131 O WAT 5688 15.612 9.027 45.123 1.00 0.00 O +ATOM 18132 H1 WAT 5688 15.690 9.162 44.179 1.00 0.00 H +ATOM 18133 H2 WAT 5688 16.226 8.319 45.316 1.00 0.00 H +TER +ATOM 18134 O WAT 5689 16.856 10.727 41.534 1.00 0.00 O +ATOM 18135 H1 WAT 5689 16.449 10.869 40.679 1.00 0.00 H +ATOM 18136 H2 WAT 5689 17.748 10.443 41.331 1.00 0.00 H +TER +ATOM 18137 O WAT 5690 32.813 11.174 49.871 1.00 0.00 O +ATOM 18138 H1 WAT 5690 32.939 10.935 48.953 1.00 0.00 H +ATOM 18139 H2 WAT 5690 32.855 10.342 50.343 1.00 0.00 H +TER +ATOM 18140 O WAT 5691 26.674 14.876 48.441 1.00 0.00 O +ATOM 18141 H1 WAT 5691 27.189 14.787 49.243 1.00 0.00 H +ATOM 18142 H2 WAT 5691 25.831 15.222 48.733 1.00 0.00 H +TER +ATOM 18143 O WAT 5692 28.650 15.162 37.869 1.00 0.00 O +ATOM 18144 H1 WAT 5692 28.490 14.872 38.767 1.00 0.00 H +ATOM 18145 H2 WAT 5692 28.484 14.386 37.334 1.00 0.00 H +TER +ATOM 18146 O WAT 5693 21.129 14.942 39.646 1.00 0.00 O +ATOM 18147 H1 WAT 5693 20.953 14.025 39.433 1.00 0.00 H +ATOM 18148 H2 WAT 5693 20.274 15.301 39.886 1.00 0.00 H +TER +ATOM 18149 O WAT 5694 28.352 12.671 36.429 1.00 0.00 O +ATOM 18150 H1 WAT 5694 27.659 12.668 35.769 1.00 0.00 H +ATOM 18151 H2 WAT 5694 29.095 12.247 35.998 1.00 0.00 H +TER +ATOM 18152 O WAT 5695 27.917 14.297 40.504 1.00 0.00 O +ATOM 18153 H1 WAT 5695 28.373 13.516 40.818 1.00 0.00 H +ATOM 18154 H2 WAT 5695 28.257 15.008 41.048 1.00 0.00 H +TER +ATOM 18155 O WAT 5696 32.665 3.227 50.836 1.00 0.00 O +ATOM 18156 H1 WAT 5696 32.050 3.735 50.308 1.00 0.00 H +ATOM 18157 H2 WAT 5696 32.345 2.327 50.779 1.00 0.00 H +TER +ATOM 18158 O WAT 5697 15.668 10.069 47.663 1.00 0.00 O +ATOM 18159 H1 WAT 5697 15.831 9.599 46.845 1.00 0.00 H +ATOM 18160 H2 WAT 5697 16.133 9.561 48.328 1.00 0.00 H +TER +ATOM 18161 O WAT 5698 29.727 3.287 49.432 1.00 0.00 O +ATOM 18162 H1 WAT 5698 28.876 2.988 49.753 1.00 0.00 H +ATOM 18163 H2 WAT 5698 29.567 3.531 48.520 1.00 0.00 H +TER +ATOM 18164 O WAT 5699 26.822 4.787 51.532 1.00 0.00 O +ATOM 18165 H1 WAT 5699 27.147 3.954 51.192 1.00 0.00 H +ATOM 18166 H2 WAT 5699 27.610 5.310 51.680 1.00 0.00 H +TER +ATOM 18167 O WAT 5700 20.231 4.323 40.427 1.00 0.00 O +ATOM 18168 H1 WAT 5700 20.005 4.106 41.332 1.00 0.00 H +ATOM 18169 H2 WAT 5700 19.450 4.755 40.082 1.00 0.00 H +TER +ATOM 18170 O WAT 5701 27.461 4.329 39.026 1.00 0.00 O +ATOM 18171 H1 WAT 5701 26.862 5.053 38.842 1.00 0.00 H +ATOM 18172 H2 WAT 5701 28.009 4.267 38.244 1.00 0.00 H +TER +ATOM 18173 O WAT 5702 22.671 5.221 51.093 1.00 0.00 O +ATOM 18174 H1 WAT 5702 22.575 4.281 50.943 1.00 0.00 H +ATOM 18175 H2 WAT 5702 23.514 5.443 50.698 1.00 0.00 H +TER +ATOM 18176 O WAT 5703 26.067 2.965 41.056 1.00 0.00 O +ATOM 18177 H1 WAT 5703 26.460 3.283 40.243 1.00 0.00 H +ATOM 18178 H2 WAT 5703 26.429 2.086 41.171 1.00 0.00 H +TER +ATOM 18179 O WAT 5704 15.291 3.497 34.490 1.00 0.00 O +ATOM 18180 H1 WAT 5704 15.208 4.440 34.631 1.00 0.00 H +ATOM 18181 H2 WAT 5704 14.939 3.355 33.611 1.00 0.00 H +TER +ATOM 18182 O WAT 5705 26.653 5.556 45.151 1.00 0.00 O +ATOM 18183 H1 WAT 5705 25.921 6.065 45.500 1.00 0.00 H +ATOM 18184 H2 WAT 5705 26.255 4.739 44.850 1.00 0.00 H +TER +ATOM 18185 O WAT 5706 23.152 3.232 36.547 1.00 0.00 O +ATOM 18186 H1 WAT 5706 23.274 3.191 37.496 1.00 0.00 H +ATOM 18187 H2 WAT 5706 22.767 4.095 36.392 1.00 0.00 H +TER +ATOM 18188 O WAT 5707 22.165 5.543 35.946 1.00 0.00 O +ATOM 18189 H1 WAT 5707 21.596 5.094 35.319 1.00 0.00 H +ATOM 18190 H2 WAT 5707 22.874 5.902 35.412 1.00 0.00 H +TER +ATOM 18191 O WAT 5708 17.242 9.444 49.822 1.00 0.00 O +ATOM 18192 H1 WAT 5708 16.857 8.803 50.421 1.00 0.00 H +ATOM 18193 H2 WAT 5708 17.553 10.147 50.392 1.00 0.00 H +TER +ATOM 18194 O WAT 5709 23.391 6.291 45.303 1.00 0.00 O +ATOM 18195 H1 WAT 5709 23.758 5.817 46.049 1.00 0.00 H +ATOM 18196 H2 WAT 5709 23.202 7.166 45.644 1.00 0.00 H +TER +ATOM 18197 O WAT 5710 21.181 5.332 47.622 1.00 0.00 O +ATOM 18198 H1 WAT 5710 20.877 6.212 47.847 1.00 0.00 H +ATOM 18199 H2 WAT 5710 22.136 5.392 47.657 1.00 0.00 H +TER +ATOM 18200 O WAT 5711 19.709 9.538 38.218 1.00 0.00 O +ATOM 18201 H1 WAT 5711 18.936 8.998 38.058 1.00 0.00 H +ATOM 18202 H2 WAT 5711 20.439 9.019 37.880 1.00 0.00 H +TER +ATOM 18203 O WAT 5712 30.468 8.535 44.011 1.00 0.00 O +ATOM 18204 H1 WAT 5712 31.188 9.030 43.621 1.00 0.00 H +ATOM 18205 H2 WAT 5712 30.266 7.857 43.366 1.00 0.00 H +TER +ATOM 18206 O WAT 5713 25.850 8.606 49.898 1.00 0.00 O +ATOM 18207 H1 WAT 5713 25.784 7.685 49.644 1.00 0.00 H +ATOM 18208 H2 WAT 5713 25.221 8.703 50.612 1.00 0.00 H +TER +ATOM 18209 O WAT 5714 28.644 4.301 36.450 1.00 0.00 O +ATOM 18210 H1 WAT 5714 29.532 4.612 36.275 1.00 0.00 H +ATOM 18211 H2 WAT 5714 28.615 3.428 36.058 1.00 0.00 H +TER +ATOM 18212 O WAT 5715 19.753 9.206 41.856 1.00 0.00 O +ATOM 18213 H1 WAT 5715 20.271 8.403 41.802 1.00 0.00 H +ATOM 18214 H2 WAT 5715 19.302 9.144 42.698 1.00 0.00 H +TER +ATOM 18215 O WAT 5716 24.640 10.473 37.129 1.00 0.00 O +ATOM 18216 H1 WAT 5716 24.982 11.217 36.633 1.00 0.00 H +ATOM 18217 H2 WAT 5716 23.811 10.786 37.491 1.00 0.00 H +TER +ATOM 18218 O WAT 5717 17.238 6.173 48.769 1.00 0.00 O +ATOM 18219 H1 WAT 5717 16.879 6.838 49.356 1.00 0.00 H +ATOM 18220 H2 WAT 5717 16.943 5.341 49.140 1.00 0.00 H +TER +ATOM 18221 O WAT 5718 20.439 6.631 51.653 1.00 0.00 O +ATOM 18222 H1 WAT 5718 20.139 6.777 50.756 1.00 0.00 H +ATOM 18223 H2 WAT 5718 21.210 6.072 51.560 1.00 0.00 H +TER +ATOM 18224 O WAT 5719 25.782 11.428 49.648 1.00 0.00 O +ATOM 18225 H1 WAT 5719 25.796 10.496 49.430 1.00 0.00 H +ATOM 18226 H2 WAT 5719 25.074 11.514 50.287 1.00 0.00 H +TER +ATOM 18227 O WAT 5720 30.915 5.612 35.918 1.00 0.00 O +ATOM 18228 H1 WAT 5720 30.832 6.043 35.068 1.00 0.00 H +ATOM 18229 H2 WAT 5720 31.635 6.072 36.351 1.00 0.00 H +TER +ATOM 18230 O WAT 5721 31.993 8.069 48.995 1.00 0.00 O +ATOM 18231 H1 WAT 5721 31.268 8.662 48.798 1.00 0.00 H +ATOM 18232 H2 WAT 5721 32.520 8.061 48.196 1.00 0.00 H +TER +ATOM 18233 O WAT 5722 31.944 12.466 38.646 1.00 0.00 O +ATOM 18234 H1 WAT 5722 31.302 11.812 38.921 1.00 0.00 H +ATOM 18235 H2 WAT 5722 31.557 12.872 37.870 1.00 0.00 H +TER +ATOM 18236 O WAT 5723 27.523 9.795 42.494 1.00 0.00 O +ATOM 18237 H1 WAT 5723 27.875 9.197 41.834 1.00 0.00 H +ATOM 18238 H2 WAT 5723 26.639 9.469 42.664 1.00 0.00 H +TER +ATOM 18239 O WAT 5724 23.609 10.554 39.901 1.00 0.00 O +ATOM 18240 H1 WAT 5724 24.296 11.101 40.281 1.00 0.00 H +ATOM 18241 H2 WAT 5724 22.822 11.099 39.936 1.00 0.00 H +TER +ATOM 18242 O WAT 5725 15.748 6.172 35.392 1.00 0.00 O +ATOM 18243 H1 WAT 5725 16.618 6.454 35.676 1.00 0.00 H +ATOM 18244 H2 WAT 5725 15.257 6.985 35.277 1.00 0.00 H +TER +ATOM 18245 O WAT 5726 22.912 7.559 39.513 1.00 0.00 O +ATOM 18246 H1 WAT 5726 23.368 8.370 39.739 1.00 0.00 H +ATOM 18247 H2 WAT 5726 22.561 7.241 40.345 1.00 0.00 H +TER +ATOM 18248 O WAT 5727 25.215 13.070 46.742 1.00 0.00 O +ATOM 18249 H1 WAT 5727 25.859 13.276 47.420 1.00 0.00 H +ATOM 18250 H2 WAT 5727 25.578 12.309 46.289 1.00 0.00 H +TER +ATOM 18251 O WAT 5728 26.488 11.073 45.460 1.00 0.00 O +ATOM 18252 H1 WAT 5728 27.131 10.372 45.573 1.00 0.00 H +ATOM 18253 H2 WAT 5728 27.013 11.853 45.280 1.00 0.00 H +TER +ATOM 18254 O WAT 5729 30.334 11.358 35.184 1.00 0.00 O +ATOM 18255 H1 WAT 5729 30.108 10.641 35.776 1.00 0.00 H +ATOM 18256 H2 WAT 5729 29.944 11.109 34.346 1.00 0.00 H +TER +ATOM 18257 O WAT 5730 28.262 11.872 48.664 1.00 0.00 O +ATOM 18258 H1 WAT 5730 28.598 12.459 49.341 1.00 0.00 H +ATOM 18259 H2 WAT 5730 27.342 11.742 48.893 1.00 0.00 H +TER +ATOM 18260 O WAT 5731 16.116 15.384 35.958 1.00 0.00 O +ATOM 18261 H1 WAT 5731 16.475 15.983 35.304 1.00 0.00 H +ATOM 18262 H2 WAT 5731 15.975 15.930 36.732 1.00 0.00 H +TER +ATOM 18263 O WAT 5732 29.916 9.275 36.845 1.00 0.00 O +ATOM 18264 H1 WAT 5732 29.628 9.736 37.633 1.00 0.00 H +ATOM 18265 H2 WAT 5732 30.711 8.815 37.114 1.00 0.00 H +TER +ATOM 18266 O WAT 5733 16.100 13.650 50.433 1.00 0.00 O +ATOM 18267 H1 WAT 5733 16.209 12.709 50.292 1.00 0.00 H +ATOM 18268 H2 WAT 5733 15.448 13.915 49.784 1.00 0.00 H +TER +ATOM 18269 O WAT 5734 24.091 11.922 51.832 1.00 0.00 O +ATOM 18270 H1 WAT 5734 23.771 11.202 52.377 1.00 0.00 H +ATOM 18271 H2 WAT 5734 23.417 12.597 51.906 1.00 0.00 H +TER +ATOM 18272 O WAT 5735 22.132 12.768 36.776 1.00 0.00 O +ATOM 18273 H1 WAT 5735 22.123 13.501 36.160 1.00 0.00 H +ATOM 18274 H2 WAT 5735 21.212 12.521 36.869 1.00 0.00 H +TER +ATOM 18275 O WAT 5736 17.733 7.989 37.520 1.00 0.00 O +ATOM 18276 H1 WAT 5736 17.126 8.729 37.530 1.00 0.00 H +ATOM 18277 H2 WAT 5736 18.208 8.079 36.694 1.00 0.00 H +TER +ATOM 18278 O WAT 5737 25.118 12.830 35.438 1.00 0.00 O +ATOM 18279 H1 WAT 5737 25.220 12.627 34.509 1.00 0.00 H +ATOM 18280 H2 WAT 5737 24.219 12.576 35.643 1.00 0.00 H +TER +ATOM 18281 O WAT 5738 22.641 3.388 39.421 1.00 0.00 O +ATOM 18282 H1 WAT 5738 21.933 3.857 39.862 1.00 0.00 H +ATOM 18283 H2 WAT 5738 22.925 2.731 40.055 1.00 0.00 H +TER +ATOM 18284 O WAT 5739 24.267 4.808 47.420 1.00 0.00 O +ATOM 18285 H1 WAT 5739 24.765 5.283 48.085 1.00 0.00 H +ATOM 18286 H2 WAT 5739 24.409 3.884 47.627 1.00 0.00 H +TER +ATOM 18287 O WAT 5740 23.760 15.349 40.133 1.00 0.00 O +ATOM 18288 H1 WAT 5740 24.014 15.311 39.211 1.00 0.00 H +ATOM 18289 H2 WAT 5740 22.811 15.222 40.126 1.00 0.00 H +TER +ATOM 18290 O WAT 5741 29.765 6.268 41.709 1.00 0.00 O +ATOM 18291 H1 WAT 5741 28.824 6.283 41.884 1.00 0.00 H +ATOM 18292 H2 WAT 5741 30.080 5.482 42.155 1.00 0.00 H +TER +ATOM 18293 O WAT 5742 19.744 7.950 35.269 1.00 0.00 O +ATOM 18294 H1 WAT 5742 20.510 7.838 35.832 1.00 0.00 H +ATOM 18295 H2 WAT 5742 19.821 7.254 34.617 1.00 0.00 H +TER +ATOM 18296 O WAT 5743 18.438 5.383 35.953 1.00 0.00 O +ATOM 18297 H1 WAT 5743 18.519 4.435 36.064 1.00 0.00 H +ATOM 18298 H2 WAT 5743 19.330 5.713 36.059 1.00 0.00 H +TER +ATOM 18299 O WAT 5744 31.768 13.439 43.384 1.00 0.00 O +ATOM 18300 H1 WAT 5744 31.893 14.262 43.857 1.00 0.00 H +ATOM 18301 H2 WAT 5744 32.635 13.228 43.037 1.00 0.00 H +TER +ATOM 18302 O WAT 5745 19.240 15.532 43.056 1.00 0.00 O +ATOM 18303 H1 WAT 5745 19.976 14.984 43.327 1.00 0.00 H +ATOM 18304 H2 WAT 5745 19.624 16.398 42.917 1.00 0.00 H +TER +ATOM 18305 O WAT 5746 16.124 11.600 38.930 1.00 0.00 O +ATOM 18306 H1 WAT 5746 15.198 11.842 38.921 1.00 0.00 H +ATOM 18307 H2 WAT 5746 16.590 12.427 38.809 1.00 0.00 H +TER +ATOM 18308 O WAT 5747 18.246 14.717 52.245 1.00 0.00 O +ATOM 18309 H1 WAT 5747 19.047 15.038 52.658 1.00 0.00 H +ATOM 18310 H2 WAT 5747 17.731 14.356 52.967 1.00 0.00 H +TER +ATOM 18311 O WAT 5748 22.350 14.705 34.879 1.00 0.00 O +ATOM 18312 H1 WAT 5748 23.143 14.994 34.427 1.00 0.00 H +ATOM 18313 H2 WAT 5748 21.830 14.274 34.200 1.00 0.00 H +TER +ATOM 18314 O WAT 5749 27.082 10.825 52.192 1.00 0.00 O +ATOM 18315 H1 WAT 5749 26.476 10.848 51.452 1.00 0.00 H +ATOM 18316 H2 WAT 5749 26.777 10.093 52.729 1.00 0.00 H +TER +ATOM 18317 O WAT 5750 28.512 14.553 50.803 1.00 0.00 O +ATOM 18318 H1 WAT 5750 29.464 14.469 50.753 1.00 0.00 H +ATOM 18319 H2 WAT 5750 28.365 15.217 51.477 1.00 0.00 H +TER +ATOM 18320 O WAT 5751 31.403 13.932 36.302 1.00 0.00 O +ATOM 18321 H1 WAT 5751 31.117 13.519 35.488 1.00 0.00 H +ATOM 18322 H2 WAT 5751 31.205 14.861 36.182 1.00 0.00 H +TER +ATOM 18323 O WAT 5752 15.965 7.204 51.188 1.00 0.00 O +ATOM 18324 H1 WAT 5752 16.469 6.625 51.760 1.00 0.00 H +ATOM 18325 H2 WAT 5752 15.226 7.488 51.726 1.00 0.00 H +TER +ATOM 18326 O WAT 5753 22.868 9.926 34.743 1.00 0.00 O +ATOM 18327 H1 WAT 5753 22.763 9.311 35.469 1.00 0.00 H +ATOM 18328 H2 WAT 5753 22.700 9.402 33.959 1.00 0.00 H +TER +ATOM 18329 O WAT 5754 23.019 8.611 50.722 1.00 0.00 O +ATOM 18330 H1 WAT 5754 22.254 9.180 50.637 1.00 0.00 H +ATOM 18331 H2 WAT 5754 23.201 8.319 49.829 1.00 0.00 H +TER +ATOM 18332 O WAT 5755 26.108 8.988 35.347 1.00 0.00 O +ATOM 18333 H1 WAT 5755 25.559 9.435 35.991 1.00 0.00 H +ATOM 18334 H2 WAT 5755 26.730 8.483 35.871 1.00 0.00 H +TER +ATOM 18335 O WAT 5756 30.161 10.342 51.279 1.00 0.00 O +ATOM 18336 H1 WAT 5756 30.902 10.679 50.776 1.00 0.00 H +ATOM 18337 H2 WAT 5756 29.399 10.511 50.726 1.00 0.00 H +TER +ATOM 18338 O WAT 5757 17.998 5.347 52.083 1.00 0.00 O +ATOM 18339 H1 WAT 5757 18.038 5.049 52.992 1.00 0.00 H +ATOM 18340 H2 WAT 5757 18.852 5.748 51.924 1.00 0.00 H +TER +ATOM 18341 O WAT 5758 21.775 7.947 37.244 1.00 0.00 O +ATOM 18342 H1 WAT 5758 22.197 7.781 38.087 1.00 0.00 H +ATOM 18343 H2 WAT 5758 21.901 7.137 36.749 1.00 0.00 H +TER +ATOM 18344 O WAT 5759 19.938 3.926 50.051 1.00 0.00 O +ATOM 18345 H1 WAT 5759 19.408 3.435 49.423 1.00 0.00 H +ATOM 18346 H2 WAT 5759 20.607 4.355 49.516 1.00 0.00 H +TER +ATOM 18347 O WAT 5760 24.288 6.970 34.491 1.00 0.00 O +ATOM 18348 H1 WAT 5760 24.809 6.255 34.125 1.00 0.00 H +ATOM 18349 H2 WAT 5760 24.935 7.609 34.791 1.00 0.00 H +TER +ATOM 18350 O WAT 5761 28.836 8.393 49.815 1.00 0.00 O +ATOM 18351 H1 WAT 5761 29.250 8.548 50.664 1.00 0.00 H +ATOM 18352 H2 WAT 5761 27.901 8.519 49.977 1.00 0.00 H +TER +ATOM 18353 O WAT 5762 29.308 5.733 51.819 1.00 0.00 O +ATOM 18354 H1 WAT 5762 29.890 4.978 51.731 1.00 0.00 H +ATOM 18355 H2 WAT 5762 29.484 6.264 51.042 1.00 0.00 H +TER +ATOM 18356 O WAT 5763 23.598 8.345 47.784 1.00 0.00 O +ATOM 18357 H1 WAT 5763 24.016 9.189 47.612 1.00 0.00 H +ATOM 18358 H2 WAT 5763 22.678 8.483 47.555 1.00 0.00 H +TER +ATOM 18359 O WAT 5764 25.934 6.077 49.168 1.00 0.00 O +ATOM 18360 H1 WAT 5764 26.054 5.481 49.908 1.00 0.00 H +ATOM 18361 H2 WAT 5764 26.793 6.114 48.748 1.00 0.00 H +TER +ATOM 18362 O WAT 5765 28.273 6.631 47.744 1.00 0.00 O +ATOM 18363 H1 WAT 5765 27.746 7.155 47.141 1.00 0.00 H +ATOM 18364 H2 WAT 5765 28.616 7.263 48.375 1.00 0.00 H +TER +ATOM 18365 O WAT 5766 20.671 4.020 34.189 1.00 0.00 O +ATOM 18366 H1 WAT 5766 20.470 3.157 34.551 1.00 0.00 H +ATOM 18367 H2 WAT 5766 20.501 3.933 33.252 1.00 0.00 H +TER +ATOM 18368 O WAT 5767 21.448 14.651 48.900 1.00 0.00 O +ATOM 18369 H1 WAT 5767 20.910 15.375 48.581 1.00 0.00 H +ATOM 18370 H2 WAT 5767 21.702 14.174 48.110 1.00 0.00 H +TER +ATOM 18371 O WAT 5768 22.701 2.619 50.426 1.00 0.00 O +ATOM 18372 H1 WAT 5768 23.291 2.311 51.114 1.00 0.00 H +ATOM 18373 H2 WAT 5768 21.883 2.147 50.582 1.00 0.00 H +TER +ATOM 18374 O WAT 5769 24.305 15.886 49.159 1.00 0.00 O +ATOM 18375 H1 WAT 5769 24.230 16.789 49.466 1.00 0.00 H +ATOM 18376 H2 WAT 5769 23.402 15.567 49.131 1.00 0.00 H +TER +ATOM 18377 O WAT 5770 24.853 15.052 36.781 1.00 0.00 O +ATOM 18378 H1 WAT 5770 25.748 15.390 36.803 1.00 0.00 H +ATOM 18379 H2 WAT 5770 24.885 14.330 36.154 1.00 0.00 H +TER +ATOM 18380 O WAT 5771 18.493 10.424 35.010 1.00 0.00 O +ATOM 18381 H1 WAT 5771 18.930 10.967 35.666 1.00 0.00 H +ATOM 18382 H2 WAT 5771 18.977 9.599 35.020 1.00 0.00 H +TER +ATOM 18383 O WAT 5772 15.707 13.213 42.462 1.00 0.00 O +ATOM 18384 H1 WAT 5772 16.038 12.345 42.230 1.00 0.00 H +ATOM 18385 H2 WAT 5772 16.136 13.419 43.293 1.00 0.00 H +TER +ATOM 18386 O WAT 5773 20.303 11.544 40.122 1.00 0.00 O +ATOM 18387 H1 WAT 5773 20.003 11.421 41.023 1.00 0.00 H +ATOM 18388 H2 WAT 5773 20.197 10.685 39.714 1.00 0.00 H +TER +ATOM 18389 O WAT 5774 16.196 14.080 45.200 1.00 0.00 O +ATOM 18390 H1 WAT 5774 15.759 14.260 46.033 1.00 0.00 H +ATOM 18391 H2 WAT 5774 16.764 14.838 45.059 1.00 0.00 H +TER +ATOM 18392 O WAT 5775 31.832 13.582 49.488 1.00 0.00 O +ATOM 18393 H1 WAT 5775 31.233 13.641 48.745 1.00 0.00 H +ATOM 18394 H2 WAT 5775 31.962 12.642 49.618 1.00 0.00 H +TER +ATOM 18395 O WAT 5776 33.073 11.324 34.825 1.00 0.00 O +ATOM 18396 H1 WAT 5776 32.242 11.391 35.296 1.00 0.00 H +ATOM 18397 H2 WAT 5776 33.250 12.214 34.522 1.00 0.00 H +TER +ATOM 18398 O WAT 5777 32.528 8.069 37.328 1.00 0.00 O +ATOM 18399 H1 WAT 5777 33.290 8.638 37.434 1.00 0.00 H +ATOM 18400 H2 WAT 5777 32.544 7.501 38.099 1.00 0.00 H +TER +ATOM 18401 O WAT 5778 16.029 6.592 41.559 1.00 0.00 O +ATOM 18402 H1 WAT 5778 15.374 6.323 40.915 1.00 0.00 H +ATOM 18403 H2 WAT 5778 16.866 6.483 41.109 1.00 0.00 H +TER +ATOM 18404 O WAT 5779 33.534 8.924 42.173 1.00 0.00 O +ATOM 18405 H1 WAT 5779 33.905 8.140 41.766 1.00 0.00 H +ATOM 18406 H2 WAT 5779 34.174 9.612 41.994 1.00 0.00 H +TER +ATOM 18407 O WAT 5780 30.518 10.307 47.586 1.00 0.00 O +ATOM 18408 H1 WAT 5780 29.704 10.737 47.848 1.00 0.00 H +ATOM 18409 H2 WAT 5780 30.925 10.919 46.973 1.00 0.00 H +TER +ATOM 18410 O WAT 5781 32.580 8.362 34.486 1.00 0.00 O +ATOM 18411 H1 WAT 5781 32.855 9.270 34.358 1.00 0.00 H +ATOM 18412 H2 WAT 5781 32.391 8.298 35.422 1.00 0.00 H +TER +ATOM 18413 O WAT 5782 32.477 6.299 39.479 1.00 0.00 O +ATOM 18414 H1 WAT 5782 32.101 5.532 39.047 1.00 0.00 H +ATOM 18415 H2 WAT 5782 31.747 6.681 39.966 1.00 0.00 H +TER +ATOM 18416 O WAT 5783 17.066 6.978 46.100 1.00 0.00 O +ATOM 18417 H1 WAT 5783 17.434 6.890 46.979 1.00 0.00 H +ATOM 18418 H2 WAT 5783 16.497 6.214 46.000 1.00 0.00 H +TER +ATOM 18419 O WAT 5784 31.867 5.446 49.113 1.00 0.00 O +ATOM 18420 H1 WAT 5784 31.635 5.217 48.212 1.00 0.00 H +ATOM 18421 H2 WAT 5784 32.127 6.366 49.067 1.00 0.00 H +TER +ATOM 18422 O WAT 5785 16.618 3.888 50.005 1.00 0.00 O +ATOM 18423 H1 WAT 5785 15.723 3.855 50.345 1.00 0.00 H +ATOM 18424 H2 WAT 5785 17.158 4.087 50.771 1.00 0.00 H +TER +ATOM 18425 O WAT 5786 15.243 3.802 37.502 1.00 0.00 O +ATOM 18426 H1 WAT 5786 14.339 4.065 37.327 1.00 0.00 H +ATOM 18427 H2 WAT 5786 15.727 4.073 36.722 1.00 0.00 H +TER +ATOM 18428 O WAT 5787 31.752 4.525 42.779 1.00 0.00 O +ATOM 18429 H1 WAT 5787 32.276 4.031 42.148 1.00 0.00 H +ATOM 18430 H2 WAT 5787 32.338 4.660 43.524 1.00 0.00 H +TER +ATOM 18431 O WAT 5788 31.931 4.609 46.301 1.00 0.00 O +ATOM 18432 H1 WAT 5788 30.981 4.575 46.416 1.00 0.00 H +ATOM 18433 H2 WAT 5788 32.112 5.519 46.066 1.00 0.00 H +TER +ATOM 18434 O WAT 5789 17.785 2.859 35.411 1.00 0.00 O +ATOM 18435 H1 WAT 5789 18.494 2.437 34.926 1.00 0.00 H +ATOM 18436 H2 WAT 5789 17.069 2.926 34.780 1.00 0.00 H +TER +ATOM 18437 O WAT 5790 31.242 3.782 38.719 1.00 0.00 O +ATOM 18438 H1 WAT 5790 31.738 3.549 39.504 1.00 0.00 H +ATOM 18439 H2 WAT 5790 31.043 2.943 38.302 1.00 0.00 H +TER +ATOM 18440 O WAT 5791 32.671 2.418 41.252 1.00 0.00 O +ATOM 18441 H1 WAT 5791 32.560 2.264 42.191 1.00 0.00 H +ATOM 18442 H2 WAT 5791 33.431 1.890 41.010 1.00 0.00 H +TER +ATOM 18443 O WAT 5792 30.575 15.059 41.113 1.00 0.00 O +ATOM 18444 H1 WAT 5792 31.171 14.738 40.436 1.00 0.00 H +ATOM 18445 H2 WAT 5792 30.833 14.586 41.904 1.00 0.00 H +TER +ATOM 18446 O WAT 5793 18.482 11.491 51.262 1.00 0.00 O +ATOM 18447 H1 WAT 5793 18.438 11.120 52.143 1.00 0.00 H +ATOM 18448 H2 WAT 5793 18.613 12.429 51.402 1.00 0.00 H +TER +ATOM 18449 O WAT 5794 22.182 13.047 46.863 1.00 0.00 O +ATOM 18450 H1 WAT 5794 21.941 13.314 45.976 1.00 0.00 H +ATOM 18451 H2 WAT 5794 23.122 13.217 46.918 1.00 0.00 H +TER +ATOM 18452 O WAT 5795 33.443 15.066 47.664 1.00 0.00 O +ATOM 18453 H1 WAT 5795 32.948 15.463 46.946 1.00 0.00 H +ATOM 18454 H2 WAT 5795 32.834 14.441 48.057 1.00 0.00 H +TER +ATOM 18455 O WAT 5796 18.320 14.437 48.381 1.00 0.00 O +ATOM 18456 H1 WAT 5796 17.726 14.306 49.120 1.00 0.00 H +ATOM 18457 H2 WAT 5796 18.313 13.601 47.916 1.00 0.00 H +TER +ATOM 18458 O WAT 5797 31.126 15.709 44.942 1.00 0.00 O +ATOM 18459 H1 WAT 5797 30.667 16.460 44.568 1.00 0.00 H +ATOM 18460 H2 WAT 5797 30.498 14.989 44.884 1.00 0.00 H +TER +ATOM 18461 O WAT 5798 17.952 11.803 47.332 1.00 0.00 O +ATOM 18462 H1 WAT 5798 17.225 11.183 47.265 1.00 0.00 H +ATOM 18463 H2 WAT 5798 18.012 12.197 46.462 1.00 0.00 H +TER +ATOM 18464 O WAT 5799 21.556 14.017 44.117 1.00 0.00 O +ATOM 18465 H1 WAT 5799 22.073 13.406 43.592 1.00 0.00 H +ATOM 18466 H2 WAT 5799 22.206 14.520 44.608 1.00 0.00 H +TER +ATOM 18467 O WAT 5800 24.296 14.908 44.944 1.00 0.00 O +ATOM 18468 H1 WAT 5800 24.583 14.654 44.067 1.00 0.00 H +ATOM 18469 H2 WAT 5800 24.808 14.356 45.535 1.00 0.00 H +TER +ATOM 18470 O WAT 5801 16.235 15.120 40.542 1.00 0.00 O +ATOM 18471 H1 WAT 5801 16.067 14.487 41.240 1.00 0.00 H +ATOM 18472 H2 WAT 5801 15.368 15.326 40.191 1.00 0.00 H +TER +ATOM 18473 O WAT 5802 17.841 13.814 37.987 1.00 0.00 O +ATOM 18474 H1 WAT 5802 17.316 14.194 37.283 1.00 0.00 H +ATOM 18475 H2 WAT 5802 17.765 14.439 38.708 1.00 0.00 H +TER +ATOM 18476 O WAT 5803 24.363 15.830 52.311 1.00 0.00 O +ATOM 18477 H1 WAT 5803 25.290 15.594 52.354 1.00 0.00 H +ATOM 18478 H2 WAT 5803 24.348 16.657 51.829 1.00 0.00 H +TER +ATOM 18479 O WAT 5804 20.440 15.762 36.862 1.00 0.00 O +ATOM 18480 H1 WAT 5804 21.172 15.478 36.314 1.00 0.00 H +ATOM 18481 H2 WAT 5804 20.699 15.523 37.752 1.00 0.00 H +TER +ATOM 18482 O WAT 5805 19.602 11.878 36.866 1.00 0.00 O +ATOM 18483 H1 WAT 5805 18.972 12.347 37.415 1.00 0.00 H +ATOM 18484 H2 WAT 5805 19.716 11.033 37.301 1.00 0.00 H +TER +ATOM 18485 O WAT 5806 30.931 15.057 52.135 1.00 0.00 O +ATOM 18486 H1 WAT 5806 31.723 14.562 51.928 1.00 0.00 H +ATOM 18487 H2 WAT 5806 31.224 15.736 52.743 1.00 0.00 H +TER +ATOM 18488 O WAT 5807 27.057 5.929 23.017 1.00 0.00 O +ATOM 18489 H1 WAT 5807 26.976 5.014 22.746 1.00 0.00 H +ATOM 18490 H2 WAT 5807 26.643 6.426 22.311 1.00 0.00 H +TER +ATOM 18491 O WAT 5808 25.188 7.707 24.897 1.00 0.00 O +ATOM 18492 H1 WAT 5808 24.413 7.227 25.187 1.00 0.00 H +ATOM 18493 H2 WAT 5808 25.840 7.027 24.723 1.00 0.00 H +TER +ATOM 18494 O WAT 5809 19.205 8.019 25.775 1.00 0.00 O +ATOM 18495 H1 WAT 5809 18.373 7.764 26.175 1.00 0.00 H +ATOM 18496 H2 WAT 5809 19.813 8.090 26.511 1.00 0.00 H +TER +ATOM 18497 O WAT 5810 29.209 12.113 23.677 1.00 0.00 O +ATOM 18498 H1 WAT 5810 28.747 11.342 24.006 1.00 0.00 H +ATOM 18499 H2 WAT 5810 30.022 12.139 24.183 1.00 0.00 H +TER +ATOM 18500 O WAT 5811 19.185 12.053 25.971 1.00 0.00 O +ATOM 18501 H1 WAT 5811 19.488 11.163 25.792 1.00 0.00 H +ATOM 18502 H2 WAT 5811 19.929 12.610 25.743 1.00 0.00 H +TER +ATOM 18503 O WAT 5812 17.614 2.979 19.559 1.00 0.00 O +ATOM 18504 H1 WAT 5812 16.726 3.321 19.457 1.00 0.00 H +ATOM 18505 H2 WAT 5812 17.898 2.779 18.667 1.00 0.00 H +TER +ATOM 18506 O WAT 5813 15.577 5.580 25.443 1.00 0.00 O +ATOM 18507 H1 WAT 5813 16.149 4.812 25.444 1.00 0.00 H +ATOM 18508 H2 WAT 5813 15.578 5.878 24.534 1.00 0.00 H +TER +ATOM 18509 O WAT 5814 25.435 14.399 23.298 1.00 0.00 O +ATOM 18510 H1 WAT 5814 24.817 14.854 22.727 1.00 0.00 H +ATOM 18511 H2 WAT 5814 26.291 14.554 22.897 1.00 0.00 H +TER +ATOM 18512 O WAT 5815 24.629 10.383 24.905 1.00 0.00 O +ATOM 18513 H1 WAT 5815 24.560 9.442 24.743 1.00 0.00 H +ATOM 18514 H2 WAT 5815 25.391 10.473 25.477 1.00 0.00 H +TER +ATOM 18515 O WAT 5816 25.660 3.190 25.131 1.00 0.00 O +ATOM 18516 H1 WAT 5816 26.036 2.317 25.019 1.00 0.00 H +ATOM 18517 H2 WAT 5816 25.562 3.525 24.240 1.00 0.00 H +TER +ATOM 18518 O WAT 5817 17.439 3.484 25.838 1.00 0.00 O +ATOM 18519 H1 WAT 5817 18.120 3.748 26.457 1.00 0.00 H +ATOM 18520 H2 WAT 5817 17.123 2.644 26.172 1.00 0.00 H +TER +ATOM 18521 O WAT 5818 21.631 4.531 24.926 1.00 0.00 O +ATOM 18522 H1 WAT 5818 22.139 5.029 25.566 1.00 0.00 H +ATOM 18523 H2 WAT 5818 22.162 3.754 24.750 1.00 0.00 H +TER +ATOM 18524 O WAT 5819 33.732 2.701 28.629 1.00 0.00 O +ATOM 18525 H1 WAT 5819 33.027 3.089 28.110 1.00 0.00 H +ATOM 18526 H2 WAT 5819 33.998 3.396 29.231 1.00 0.00 H +TER +ATOM 18527 O WAT 5820 26.302 9.283 20.691 1.00 0.00 O +ATOM 18528 H1 WAT 5820 25.683 9.748 20.127 1.00 0.00 H +ATOM 18529 H2 WAT 5820 26.814 9.975 21.108 1.00 0.00 H +TER +ATOM 18530 O WAT 5821 21.165 8.810 27.369 1.00 0.00 O +ATOM 18531 H1 WAT 5821 20.832 9.437 28.011 1.00 0.00 H +ATOM 18532 H2 WAT 5821 21.342 9.336 26.590 1.00 0.00 H +TER +ATOM 18533 O WAT 5822 29.678 2.625 24.837 1.00 0.00 O +ATOM 18534 H1 WAT 5822 28.974 2.913 25.417 1.00 0.00 H +ATOM 18535 H2 WAT 5822 30.040 3.435 24.477 1.00 0.00 H +TER +ATOM 18536 O WAT 5823 20.377 10.778 29.184 1.00 0.00 O +ATOM 18537 H1 WAT 5823 20.994 11.453 28.903 1.00 0.00 H +ATOM 18538 H2 WAT 5823 19.516 11.187 29.093 1.00 0.00 H +TER +ATOM 18539 O WAT 5824 15.670 9.968 18.065 1.00 0.00 O +ATOM 18540 H1 WAT 5824 15.293 10.457 17.333 1.00 0.00 H +ATOM 18541 H2 WAT 5824 15.927 10.641 18.696 1.00 0.00 H +TER +ATOM 18542 O WAT 5825 31.295 12.242 27.100 1.00 0.00 O +ATOM 18543 H1 WAT 5825 30.611 12.912 27.091 1.00 0.00 H +ATOM 18544 H2 WAT 5825 31.834 12.440 26.334 1.00 0.00 H +TER +ATOM 18545 O WAT 5826 32.747 2.070 25.228 1.00 0.00 O +ATOM 18546 H1 WAT 5826 31.800 2.104 25.359 1.00 0.00 H +ATOM 18547 H2 WAT 5826 33.072 2.884 25.613 1.00 0.00 H +TER +ATOM 18548 O WAT 5827 28.830 14.087 25.814 1.00 0.00 O +ATOM 18549 H1 WAT 5827 28.843 13.683 24.946 1.00 0.00 H +ATOM 18550 H2 WAT 5827 28.278 14.861 25.710 1.00 0.00 H +TER +ATOM 18551 O WAT 5828 30.125 10.808 20.903 1.00 0.00 O +ATOM 18552 H1 WAT 5828 30.015 9.866 21.028 1.00 0.00 H +ATOM 18553 H2 WAT 5828 30.122 11.170 21.790 1.00 0.00 H +TER +ATOM 18554 O WAT 5829 28.229 8.990 27.143 1.00 0.00 O +ATOM 18555 H1 WAT 5829 28.646 8.776 26.308 1.00 0.00 H +ATOM 18556 H2 WAT 5829 28.953 9.247 27.713 1.00 0.00 H +TER +ATOM 18557 O WAT 5830 25.667 6.435 20.260 1.00 0.00 O +ATOM 18558 H1 WAT 5830 24.740 6.368 20.488 1.00 0.00 H +ATOM 18559 H2 WAT 5830 25.820 7.373 20.145 1.00 0.00 H +TER +ATOM 18560 O WAT 5831 25.654 2.706 17.256 1.00 0.00 O +ATOM 18561 H1 WAT 5831 24.714 2.868 17.341 1.00 0.00 H +ATOM 18562 H2 WAT 5831 25.972 3.425 16.710 1.00 0.00 H +TER +ATOM 18563 O WAT 5832 32.175 7.388 27.234 1.00 0.00 O +ATOM 18564 H1 WAT 5832 31.347 7.458 26.759 1.00 0.00 H +ATOM 18565 H2 WAT 5832 32.770 7.974 26.766 1.00 0.00 H +TER +ATOM 18566 O WAT 5833 29.697 7.997 20.763 1.00 0.00 O +ATOM 18567 H1 WAT 5833 29.078 7.659 20.116 1.00 0.00 H +ATOM 18568 H2 WAT 5833 29.679 7.353 21.471 1.00 0.00 H +TER +ATOM 18569 O WAT 5834 29.139 4.175 28.180 1.00 0.00 O +ATOM 18570 H1 WAT 5834 28.727 5.001 28.434 1.00 0.00 H +ATOM 18571 H2 WAT 5834 28.407 3.590 27.987 1.00 0.00 H +TER +ATOM 18572 O WAT 5835 21.273 6.961 23.041 1.00 0.00 O +ATOM 18573 H1 WAT 5835 20.868 6.249 22.546 1.00 0.00 H +ATOM 18574 H2 WAT 5835 21.359 6.617 23.930 1.00 0.00 H +TER +ATOM 18575 O WAT 5836 21.741 10.648 25.205 1.00 0.00 O +ATOM 18576 H1 WAT 5836 21.444 10.043 24.526 1.00 0.00 H +ATOM 18577 H2 WAT 5836 22.691 10.686 25.094 1.00 0.00 H +TER +ATOM 18578 O WAT 5837 19.986 3.736 26.821 1.00 0.00 O +ATOM 18579 H1 WAT 5837 20.537 3.845 26.047 1.00 0.00 H +ATOM 18580 H2 WAT 5837 20.500 4.109 27.537 1.00 0.00 H +TER +ATOM 18581 O WAT 5838 29.829 14.221 28.868 1.00 0.00 O +ATOM 18582 H1 WAT 5838 29.352 15.028 28.675 1.00 0.00 H +ATOM 18583 H2 WAT 5838 29.146 13.569 29.020 1.00 0.00 H +TER +ATOM 18584 O WAT 5839 20.833 10.386 31.856 1.00 0.00 O +ATOM 18585 H1 WAT 5839 19.936 10.610 32.104 1.00 0.00 H +ATOM 18586 H2 WAT 5839 20.858 10.510 30.907 1.00 0.00 H +TER +ATOM 18587 O WAT 5840 27.873 7.235 17.770 1.00 0.00 O +ATOM 18588 H1 WAT 5840 28.313 6.398 17.624 1.00 0.00 H +ATOM 18589 H2 WAT 5840 28.586 7.868 17.857 1.00 0.00 H +TER +ATOM 18590 O WAT 5841 19.660 7.257 30.432 1.00 0.00 O +ATOM 18591 H1 WAT 5841 19.521 8.130 30.801 1.00 0.00 H +ATOM 18592 H2 WAT 5841 18.778 6.915 30.287 1.00 0.00 H +TER +ATOM 18593 O WAT 5842 25.983 12.175 21.738 1.00 0.00 O +ATOM 18594 H1 WAT 5842 26.422 12.918 21.324 1.00 0.00 H +ATOM 18595 H2 WAT 5842 25.921 12.418 22.662 1.00 0.00 H +TER +ATOM 18596 O WAT 5843 21.458 13.200 32.640 1.00 0.00 O +ATOM 18597 H1 WAT 5843 21.429 13.604 31.773 1.00 0.00 H +ATOM 18598 H2 WAT 5843 21.294 12.271 32.478 1.00 0.00 H +TER +ATOM 18599 O WAT 5844 17.973 5.856 20.542 1.00 0.00 O +ATOM 18600 H1 WAT 5844 17.853 6.582 19.930 1.00 0.00 H +ATOM 18601 H2 WAT 5844 17.663 5.086 20.065 1.00 0.00 H +TER +ATOM 18602 O WAT 5845 15.612 9.027 26.349 1.00 0.00 O +ATOM 18603 H1 WAT 5845 15.690 9.162 25.405 1.00 0.00 H +ATOM 18604 H2 WAT 5845 16.226 8.319 26.542 1.00 0.00 H +TER +ATOM 18605 O WAT 5846 16.856 10.727 22.760 1.00 0.00 O +ATOM 18606 H1 WAT 5846 16.449 10.869 21.905 1.00 0.00 H +ATOM 18607 H2 WAT 5846 17.748 10.443 22.557 1.00 0.00 H +TER +ATOM 18608 O WAT 5847 32.813 11.174 31.097 1.00 0.00 O +ATOM 18609 H1 WAT 5847 32.939 10.935 30.179 1.00 0.00 H +ATOM 18610 H2 WAT 5847 32.855 10.342 31.569 1.00 0.00 H +TER +ATOM 18611 O WAT 5848 26.674 14.876 29.666 1.00 0.00 O +ATOM 18612 H1 WAT 5848 27.189 14.787 30.469 1.00 0.00 H +ATOM 18613 H2 WAT 5848 25.831 15.222 29.959 1.00 0.00 H +TER +ATOM 18614 O WAT 5849 28.650 15.162 19.095 1.00 0.00 O +ATOM 18615 H1 WAT 5849 28.490 14.872 19.993 1.00 0.00 H +ATOM 18616 H2 WAT 5849 28.484 14.386 18.559 1.00 0.00 H +TER +ATOM 18617 O WAT 5850 21.129 14.942 20.872 1.00 0.00 O +ATOM 18618 H1 WAT 5850 20.953 14.025 20.659 1.00 0.00 H +ATOM 18619 H2 WAT 5850 20.274 15.301 21.112 1.00 0.00 H +TER +ATOM 18620 O WAT 5851 28.352 12.671 17.655 1.00 0.00 O +ATOM 18621 H1 WAT 5851 27.659 12.668 16.995 1.00 0.00 H +ATOM 18622 H2 WAT 5851 29.095 12.247 17.224 1.00 0.00 H +TER +ATOM 18623 O WAT 5852 27.917 14.297 21.729 1.00 0.00 O +ATOM 18624 H1 WAT 5852 28.373 13.516 22.043 1.00 0.00 H +ATOM 18625 H2 WAT 5852 28.257 15.008 22.274 1.00 0.00 H +TER +ATOM 18626 O WAT 5853 32.665 3.227 32.062 1.00 0.00 O +ATOM 18627 H1 WAT 5853 32.050 3.735 31.533 1.00 0.00 H +ATOM 18628 H2 WAT 5853 32.345 2.327 32.004 1.00 0.00 H +TER +ATOM 18629 O WAT 5854 15.668 10.069 28.888 1.00 0.00 O +ATOM 18630 H1 WAT 5854 15.831 9.599 28.070 1.00 0.00 H +ATOM 18631 H2 WAT 5854 16.133 9.561 29.553 1.00 0.00 H +TER +ATOM 18632 O WAT 5855 29.727 3.287 30.658 1.00 0.00 O +ATOM 18633 H1 WAT 5855 28.876 2.988 30.979 1.00 0.00 H +ATOM 18634 H2 WAT 5855 29.567 3.531 29.746 1.00 0.00 H +TER +ATOM 18635 O WAT 5856 26.822 4.787 32.758 1.00 0.00 O +ATOM 18636 H1 WAT 5856 27.147 3.954 32.418 1.00 0.00 H +ATOM 18637 H2 WAT 5856 27.610 5.310 32.905 1.00 0.00 H +TER +ATOM 18638 O WAT 5857 20.231 4.323 21.653 1.00 0.00 O +ATOM 18639 H1 WAT 5857 20.005 4.106 22.557 1.00 0.00 H +ATOM 18640 H2 WAT 5857 19.450 4.755 21.307 1.00 0.00 H +TER +ATOM 18641 O WAT 5858 27.461 4.329 20.252 1.00 0.00 O +ATOM 18642 H1 WAT 5858 26.862 5.053 20.068 1.00 0.00 H +ATOM 18643 H2 WAT 5858 28.009 4.267 19.469 1.00 0.00 H +TER +ATOM 18644 O WAT 5859 22.671 5.221 32.319 1.00 0.00 O +ATOM 18645 H1 WAT 5859 22.575 4.281 32.169 1.00 0.00 H +ATOM 18646 H2 WAT 5859 23.514 5.443 31.923 1.00 0.00 H +TER +ATOM 18647 O WAT 5860 26.067 2.965 22.282 1.00 0.00 O +ATOM 18648 H1 WAT 5860 26.460 3.283 21.469 1.00 0.00 H +ATOM 18649 H2 WAT 5860 26.429 2.086 22.396 1.00 0.00 H +TER +ATOM 18650 O WAT 5861 15.291 3.497 15.715 1.00 0.00 O +ATOM 18651 H1 WAT 5861 15.208 4.440 15.857 1.00 0.00 H +ATOM 18652 H2 WAT 5861 14.939 3.355 14.837 1.00 0.00 H +TER +ATOM 18653 O WAT 5862 26.653 5.556 26.377 1.00 0.00 O +ATOM 18654 H1 WAT 5862 25.921 6.065 26.726 1.00 0.00 H +ATOM 18655 H2 WAT 5862 26.255 4.739 26.076 1.00 0.00 H +TER +ATOM 18656 O WAT 5863 23.152 3.232 17.773 1.00 0.00 O +ATOM 18657 H1 WAT 5863 23.274 3.191 18.722 1.00 0.00 H +ATOM 18658 H2 WAT 5863 22.767 4.095 17.618 1.00 0.00 H +TER +ATOM 18659 O WAT 5864 22.165 5.543 17.171 1.00 0.00 O +ATOM 18660 H1 WAT 5864 21.596 5.094 16.545 1.00 0.00 H +ATOM 18661 H2 WAT 5864 22.874 5.902 16.638 1.00 0.00 H +TER +ATOM 18662 O WAT 5865 17.242 9.444 31.048 1.00 0.00 O +ATOM 18663 H1 WAT 5865 16.857 8.803 31.646 1.00 0.00 H +ATOM 18664 H2 WAT 5865 17.553 10.147 31.618 1.00 0.00 H +TER +ATOM 18665 O WAT 5866 23.391 6.291 26.529 1.00 0.00 O +ATOM 18666 H1 WAT 5866 23.758 5.817 27.275 1.00 0.00 H +ATOM 18667 H2 WAT 5866 23.202 7.166 26.870 1.00 0.00 H +TER +ATOM 18668 O WAT 5867 21.181 5.332 28.847 1.00 0.00 O +ATOM 18669 H1 WAT 5867 20.877 6.212 29.072 1.00 0.00 H +ATOM 18670 H2 WAT 5867 22.136 5.392 28.883 1.00 0.00 H +TER +ATOM 18671 O WAT 5868 19.709 9.538 19.444 1.00 0.00 O +ATOM 18672 H1 WAT 5868 18.936 8.998 19.284 1.00 0.00 H +ATOM 18673 H2 WAT 5868 20.439 9.019 19.106 1.00 0.00 H +TER +ATOM 18674 O WAT 5869 30.468 8.535 25.237 1.00 0.00 O +ATOM 18675 H1 WAT 5869 31.188 9.030 24.846 1.00 0.00 H +ATOM 18676 H2 WAT 5869 30.266 7.857 24.592 1.00 0.00 H +TER +ATOM 18677 O WAT 5870 25.850 8.606 31.124 1.00 0.00 O +ATOM 18678 H1 WAT 5870 25.784 7.685 30.869 1.00 0.00 H +ATOM 18679 H2 WAT 5870 25.221 8.703 31.838 1.00 0.00 H +TER +ATOM 18680 O WAT 5871 28.644 4.301 17.676 1.00 0.00 O +ATOM 18681 H1 WAT 5871 29.532 4.612 17.501 1.00 0.00 H +ATOM 18682 H2 WAT 5871 28.615 3.428 17.284 1.00 0.00 H +TER +ATOM 18683 O WAT 5872 19.753 9.206 23.082 1.00 0.00 O +ATOM 18684 H1 WAT 5872 20.271 8.403 23.028 1.00 0.00 H +ATOM 18685 H2 WAT 5872 19.302 9.144 23.924 1.00 0.00 H +TER +ATOM 18686 O WAT 5873 24.640 10.473 18.355 1.00 0.00 O +ATOM 18687 H1 WAT 5873 24.982 11.217 17.859 1.00 0.00 H +ATOM 18688 H2 WAT 5873 23.811 10.786 18.717 1.00 0.00 H +TER +ATOM 18689 O WAT 5874 17.238 6.173 29.994 1.00 0.00 O +ATOM 18690 H1 WAT 5874 16.879 6.838 30.582 1.00 0.00 H +ATOM 18691 H2 WAT 5874 16.943 5.341 30.366 1.00 0.00 H +TER +ATOM 18692 O WAT 5875 20.439 6.631 32.878 1.00 0.00 O +ATOM 18693 H1 WAT 5875 20.139 6.777 31.981 1.00 0.00 H +ATOM 18694 H2 WAT 5875 21.210 6.072 32.786 1.00 0.00 H +TER +ATOM 18695 O WAT 5876 25.782 11.428 30.874 1.00 0.00 O +ATOM 18696 H1 WAT 5876 25.796 10.496 30.656 1.00 0.00 H +ATOM 18697 H2 WAT 5876 25.074 11.514 31.513 1.00 0.00 H +TER +ATOM 18698 O WAT 5877 30.915 5.612 17.144 1.00 0.00 O +ATOM 18699 H1 WAT 5877 30.832 6.043 16.293 1.00 0.00 H +ATOM 18700 H2 WAT 5877 31.635 6.072 17.576 1.00 0.00 H +TER +ATOM 18701 O WAT 5878 31.993 8.069 30.221 1.00 0.00 O +ATOM 18702 H1 WAT 5878 31.268 8.662 30.024 1.00 0.00 H +ATOM 18703 H2 WAT 5878 32.520 8.061 29.422 1.00 0.00 H +TER +ATOM 18704 O WAT 5879 31.944 12.466 19.872 1.00 0.00 O +ATOM 18705 H1 WAT 5879 31.302 11.812 20.146 1.00 0.00 H +ATOM 18706 H2 WAT 5879 31.557 12.872 19.096 1.00 0.00 H +TER +ATOM 18707 O WAT 5880 27.523 9.795 23.719 1.00 0.00 O +ATOM 18708 H1 WAT 5880 27.875 9.197 23.059 1.00 0.00 H +ATOM 18709 H2 WAT 5880 26.639 9.469 23.890 1.00 0.00 H +TER +ATOM 18710 O WAT 5881 23.609 10.554 21.126 1.00 0.00 O +ATOM 18711 H1 WAT 5881 24.296 11.101 21.507 1.00 0.00 H +ATOM 18712 H2 WAT 5881 22.822 11.099 21.161 1.00 0.00 H +TER +ATOM 18713 O WAT 5882 15.748 6.172 16.618 1.00 0.00 O +ATOM 18714 H1 WAT 5882 16.618 6.454 16.902 1.00 0.00 H +ATOM 18715 H2 WAT 5882 15.257 6.985 16.503 1.00 0.00 H +TER +ATOM 18716 O WAT 5883 22.912 7.559 20.739 1.00 0.00 O +ATOM 18717 H1 WAT 5883 23.368 8.370 20.965 1.00 0.00 H +ATOM 18718 H2 WAT 5883 22.561 7.241 21.571 1.00 0.00 H +TER +ATOM 18719 O WAT 5884 25.215 13.070 27.968 1.00 0.00 O +ATOM 18720 H1 WAT 5884 25.859 13.276 28.645 1.00 0.00 H +ATOM 18721 H2 WAT 5884 25.578 12.309 27.515 1.00 0.00 H +TER +ATOM 18722 O WAT 5885 26.488 11.073 26.686 1.00 0.00 O +ATOM 18723 H1 WAT 5885 27.131 10.372 26.799 1.00 0.00 H +ATOM 18724 H2 WAT 5885 27.013 11.853 26.505 1.00 0.00 H +TER +ATOM 18725 O WAT 5886 30.334 11.358 16.410 1.00 0.00 O +ATOM 18726 H1 WAT 5886 30.108 10.641 17.002 1.00 0.00 H +ATOM 18727 H2 WAT 5886 29.944 11.109 15.572 1.00 0.00 H +TER +ATOM 18728 O WAT 5887 28.262 11.872 29.889 1.00 0.00 O +ATOM 18729 H1 WAT 5887 28.598 12.459 30.567 1.00 0.00 H +ATOM 18730 H2 WAT 5887 27.342 11.742 30.119 1.00 0.00 H +TER +ATOM 18731 O WAT 5888 16.116 15.384 17.184 1.00 0.00 O +ATOM 18732 H1 WAT 5888 16.475 15.983 16.530 1.00 0.00 H +ATOM 18733 H2 WAT 5888 15.975 15.930 17.958 1.00 0.00 H +TER +ATOM 18734 O WAT 5889 29.916 9.275 18.071 1.00 0.00 O +ATOM 18735 H1 WAT 5889 29.628 9.736 18.859 1.00 0.00 H +ATOM 18736 H2 WAT 5889 30.711 8.815 18.339 1.00 0.00 H +TER +ATOM 18737 O WAT 5890 16.100 13.650 31.658 1.00 0.00 O +ATOM 18738 H1 WAT 5890 16.209 12.709 31.518 1.00 0.00 H +ATOM 18739 H2 WAT 5890 15.448 13.915 31.010 1.00 0.00 H +TER +ATOM 18740 O WAT 5891 24.091 11.922 33.058 1.00 0.00 O +ATOM 18741 H1 WAT 5891 23.771 11.202 33.603 1.00 0.00 H +ATOM 18742 H2 WAT 5891 23.417 12.597 33.132 1.00 0.00 H +TER +ATOM 18743 O WAT 5892 22.132 12.768 18.001 1.00 0.00 O +ATOM 18744 H1 WAT 5892 22.123 13.501 17.386 1.00 0.00 H +ATOM 18745 H2 WAT 5892 21.212 12.521 18.094 1.00 0.00 H +TER +ATOM 18746 O WAT 5893 17.733 7.989 18.746 1.00 0.00 O +ATOM 18747 H1 WAT 5893 17.126 8.729 18.756 1.00 0.00 H +ATOM 18748 H2 WAT 5893 18.208 8.079 17.920 1.00 0.00 H +TER +ATOM 18749 O WAT 5894 25.118 12.830 16.664 1.00 0.00 O +ATOM 18750 H1 WAT 5894 25.220 12.627 15.734 1.00 0.00 H +ATOM 18751 H2 WAT 5894 24.219 12.576 16.869 1.00 0.00 H +TER +ATOM 18752 O WAT 5895 22.641 3.388 20.646 1.00 0.00 O +ATOM 18753 H1 WAT 5895 21.933 3.857 21.088 1.00 0.00 H +ATOM 18754 H2 WAT 5895 22.925 2.731 21.281 1.00 0.00 H +TER +ATOM 18755 O WAT 5896 24.267 4.808 28.646 1.00 0.00 O +ATOM 18756 H1 WAT 5896 24.765 5.283 29.311 1.00 0.00 H +ATOM 18757 H2 WAT 5896 24.409 3.884 28.853 1.00 0.00 H +TER +ATOM 18758 O WAT 5897 23.760 15.349 21.359 1.00 0.00 O +ATOM 18759 H1 WAT 5897 24.014 15.311 20.437 1.00 0.00 H +ATOM 18760 H2 WAT 5897 22.811 15.222 21.352 1.00 0.00 H +TER +ATOM 18761 O WAT 5898 29.765 6.268 22.935 1.00 0.00 O +ATOM 18762 H1 WAT 5898 28.824 6.283 23.109 1.00 0.00 H +ATOM 18763 H2 WAT 5898 30.080 5.482 23.381 1.00 0.00 H +TER +ATOM 18764 O WAT 5899 19.744 7.950 16.495 1.00 0.00 O +ATOM 18765 H1 WAT 5899 20.510 7.838 17.058 1.00 0.00 H +ATOM 18766 H2 WAT 5899 19.821 7.254 15.843 1.00 0.00 H +TER +ATOM 18767 O WAT 5900 18.438 5.383 17.178 1.00 0.00 O +ATOM 18768 H1 WAT 5900 18.519 4.435 17.290 1.00 0.00 H +ATOM 18769 H2 WAT 5900 19.330 5.713 17.284 1.00 0.00 H +TER +ATOM 18770 O WAT 5901 31.768 13.439 24.610 1.00 0.00 O +ATOM 18771 H1 WAT 5901 31.893 14.262 25.082 1.00 0.00 H +ATOM 18772 H2 WAT 5901 32.635 13.228 24.262 1.00 0.00 H +TER +ATOM 18773 O WAT 5902 19.240 15.532 24.282 1.00 0.00 O +ATOM 18774 H1 WAT 5902 19.976 14.984 24.553 1.00 0.00 H +ATOM 18775 H2 WAT 5902 19.624 16.398 24.142 1.00 0.00 H +TER +ATOM 18776 O WAT 5903 16.124 11.600 20.156 1.00 0.00 O +ATOM 18777 H1 WAT 5903 15.198 11.842 20.146 1.00 0.00 H +ATOM 18778 H2 WAT 5903 16.590 12.427 20.034 1.00 0.00 H +TER +ATOM 18779 O WAT 5904 18.246 14.717 33.470 1.00 0.00 O +ATOM 18780 H1 WAT 5904 19.047 15.038 33.884 1.00 0.00 H +ATOM 18781 H2 WAT 5904 17.731 14.356 34.192 1.00 0.00 H +TER +ATOM 18782 O WAT 5905 22.350 14.705 16.104 1.00 0.00 O +ATOM 18783 H1 WAT 5905 23.143 14.994 15.652 1.00 0.00 H +ATOM 18784 H2 WAT 5905 21.830 14.274 15.426 1.00 0.00 H +TER +ATOM 18785 O WAT 5906 27.082 10.825 33.418 1.00 0.00 O +ATOM 18786 H1 WAT 5906 26.476 10.848 32.677 1.00 0.00 H +ATOM 18787 H2 WAT 5906 26.777 10.093 33.955 1.00 0.00 H +TER +ATOM 18788 O WAT 5907 28.512 14.553 32.029 1.00 0.00 O +ATOM 18789 H1 WAT 5907 29.464 14.469 31.979 1.00 0.00 H +ATOM 18790 H2 WAT 5907 28.365 15.217 32.702 1.00 0.00 H +TER +ATOM 18791 O WAT 5908 31.403 13.932 17.528 1.00 0.00 O +ATOM 18792 H1 WAT 5908 31.117 13.519 16.713 1.00 0.00 H +ATOM 18793 H2 WAT 5908 31.205 14.861 17.408 1.00 0.00 H +TER +ATOM 18794 O WAT 5909 15.965 7.204 32.414 1.00 0.00 O +ATOM 18795 H1 WAT 5909 16.469 6.625 32.986 1.00 0.00 H +ATOM 18796 H2 WAT 5909 15.226 7.488 32.952 1.00 0.00 H +TER +ATOM 18797 O WAT 5910 22.868 9.926 15.969 1.00 0.00 O +ATOM 18798 H1 WAT 5910 22.763 9.311 16.695 1.00 0.00 H +ATOM 18799 H2 WAT 5910 22.700 9.402 15.185 1.00 0.00 H +TER +ATOM 18800 O WAT 5911 23.019 8.611 31.947 1.00 0.00 O +ATOM 18801 H1 WAT 5911 22.254 9.180 31.863 1.00 0.00 H +ATOM 18802 H2 WAT 5911 23.201 8.319 31.054 1.00 0.00 H +TER +ATOM 18803 O WAT 5912 26.108 8.988 16.573 1.00 0.00 O +ATOM 18804 H1 WAT 5912 25.559 9.435 17.217 1.00 0.00 H +ATOM 18805 H2 WAT 5912 26.730 8.483 17.096 1.00 0.00 H +TER +ATOM 18806 O WAT 5913 30.161 10.342 32.505 1.00 0.00 O +ATOM 18807 H1 WAT 5913 30.902 10.679 32.002 1.00 0.00 H +ATOM 18808 H2 WAT 5913 29.399 10.511 31.952 1.00 0.00 H +TER +ATOM 18809 O WAT 5914 17.998 5.347 33.309 1.00 0.00 O +ATOM 18810 H1 WAT 5914 18.038 5.049 34.217 1.00 0.00 H +ATOM 18811 H2 WAT 5914 18.852 5.748 33.150 1.00 0.00 H +TER +ATOM 18812 O WAT 5915 21.775 7.947 18.469 1.00 0.00 O +ATOM 18813 H1 WAT 5915 22.197 7.781 19.312 1.00 0.00 H +ATOM 18814 H2 WAT 5915 21.901 7.137 17.975 1.00 0.00 H +TER +ATOM 18815 O WAT 5916 19.938 3.926 31.276 1.00 0.00 O +ATOM 18816 H1 WAT 5916 19.408 3.435 30.649 1.00 0.00 H +ATOM 18817 H2 WAT 5916 20.607 4.355 30.742 1.00 0.00 H +TER +ATOM 18818 O WAT 5917 24.288 6.970 15.717 1.00 0.00 O +ATOM 18819 H1 WAT 5917 24.809 6.255 15.351 1.00 0.00 H +ATOM 18820 H2 WAT 5917 24.935 7.609 16.017 1.00 0.00 H +TER +ATOM 18821 O WAT 5918 28.836 8.393 31.040 1.00 0.00 O +ATOM 18822 H1 WAT 5918 29.250 8.548 31.890 1.00 0.00 H +ATOM 18823 H2 WAT 5918 27.901 8.519 31.203 1.00 0.00 H +TER +ATOM 18824 O WAT 5919 29.308 5.733 33.044 1.00 0.00 O +ATOM 18825 H1 WAT 5919 29.890 4.978 32.956 1.00 0.00 H +ATOM 18826 H2 WAT 5919 29.484 6.264 32.268 1.00 0.00 H +TER +ATOM 18827 O WAT 5920 23.598 8.345 29.010 1.00 0.00 O +ATOM 18828 H1 WAT 5920 24.016 9.189 28.838 1.00 0.00 H +ATOM 18829 H2 WAT 5920 22.678 8.483 28.781 1.00 0.00 H +TER +ATOM 18830 O WAT 5921 25.934 6.077 30.394 1.00 0.00 O +ATOM 18831 H1 WAT 5921 26.054 5.481 31.133 1.00 0.00 H +ATOM 18832 H2 WAT 5921 26.793 6.114 29.974 1.00 0.00 H +TER +ATOM 18833 O WAT 5922 28.273 6.631 28.970 1.00 0.00 O +ATOM 18834 H1 WAT 5922 27.746 7.155 28.367 1.00 0.00 H +ATOM 18835 H2 WAT 5922 28.616 7.263 29.601 1.00 0.00 H +TER +ATOM 18836 O WAT 5923 20.671 4.020 15.415 1.00 0.00 O +ATOM 18837 H1 WAT 5923 20.470 3.157 15.776 1.00 0.00 H +ATOM 18838 H2 WAT 5923 20.501 3.933 14.477 1.00 0.00 H +TER +ATOM 18839 O WAT 5924 21.448 14.651 30.126 1.00 0.00 O +ATOM 18840 H1 WAT 5924 20.910 15.375 29.807 1.00 0.00 H +ATOM 18841 H2 WAT 5924 21.702 14.174 29.336 1.00 0.00 H +TER +ATOM 18842 O WAT 5925 22.701 2.619 31.651 1.00 0.00 O +ATOM 18843 H1 WAT 5925 23.291 2.311 32.339 1.00 0.00 H +ATOM 18844 H2 WAT 5925 21.883 2.147 31.807 1.00 0.00 H +TER +ATOM 18845 O WAT 5926 24.305 15.886 30.385 1.00 0.00 O +ATOM 18846 H1 WAT 5926 24.230 16.789 30.692 1.00 0.00 H +ATOM 18847 H2 WAT 5926 23.402 15.567 30.357 1.00 0.00 H +TER +ATOM 18848 O WAT 5927 24.853 15.052 18.007 1.00 0.00 O +ATOM 18849 H1 WAT 5927 25.748 15.390 18.029 1.00 0.00 H +ATOM 18850 H2 WAT 5927 24.885 14.330 17.380 1.00 0.00 H +TER +ATOM 18851 O WAT 5928 18.493 10.424 16.236 1.00 0.00 O +ATOM 18852 H1 WAT 5928 18.930 10.967 16.892 1.00 0.00 H +ATOM 18853 H2 WAT 5928 18.977 9.599 16.245 1.00 0.00 H +TER +ATOM 18854 O WAT 5929 15.707 13.213 23.688 1.00 0.00 O +ATOM 18855 H1 WAT 5929 16.038 12.345 23.456 1.00 0.00 H +ATOM 18856 H2 WAT 5929 16.136 13.419 24.518 1.00 0.00 H +TER +ATOM 18857 O WAT 5930 20.303 11.544 21.348 1.00 0.00 O +ATOM 18858 H1 WAT 5930 20.003 11.421 22.248 1.00 0.00 H +ATOM 18859 H2 WAT 5930 20.197 10.685 20.940 1.00 0.00 H +TER +ATOM 18860 O WAT 5931 16.196 14.080 26.426 1.00 0.00 O +ATOM 18861 H1 WAT 5931 15.759 14.260 27.258 1.00 0.00 H +ATOM 18862 H2 WAT 5931 16.764 14.838 26.284 1.00 0.00 H +TER +ATOM 18863 O WAT 5932 31.832 13.582 30.714 1.00 0.00 O +ATOM 18864 H1 WAT 5932 31.233 13.641 29.970 1.00 0.00 H +ATOM 18865 H2 WAT 5932 31.962 12.642 30.843 1.00 0.00 H +TER +ATOM 18866 O WAT 5933 33.073 11.324 16.051 1.00 0.00 O +ATOM 18867 H1 WAT 5933 32.242 11.391 16.521 1.00 0.00 H +ATOM 18868 H2 WAT 5933 33.250 12.214 15.747 1.00 0.00 H +TER +ATOM 18869 O WAT 5934 32.528 8.069 18.554 1.00 0.00 O +ATOM 18870 H1 WAT 5934 33.290 8.638 18.660 1.00 0.00 H +ATOM 18871 H2 WAT 5934 32.544 7.501 19.325 1.00 0.00 H +TER +ATOM 18872 O WAT 5935 16.029 6.592 22.785 1.00 0.00 O +ATOM 18873 H1 WAT 5935 15.374 6.323 22.141 1.00 0.00 H +ATOM 18874 H2 WAT 5935 16.866 6.483 22.335 1.00 0.00 H +TER +ATOM 18875 O WAT 5936 33.534 8.924 23.398 1.00 0.00 O +ATOM 18876 H1 WAT 5936 33.905 8.140 22.992 1.00 0.00 H +ATOM 18877 H2 WAT 5936 34.174 9.612 23.220 1.00 0.00 H +TER +ATOM 18878 O WAT 5937 30.518 10.307 28.811 1.00 0.00 O +ATOM 18879 H1 WAT 5937 29.704 10.737 29.074 1.00 0.00 H +ATOM 18880 H2 WAT 5937 30.925 10.919 28.198 1.00 0.00 H +TER +ATOM 18881 O WAT 5938 32.580 8.362 15.711 1.00 0.00 O +ATOM 18882 H1 WAT 5938 32.855 9.270 15.583 1.00 0.00 H +ATOM 18883 H2 WAT 5938 32.391 8.298 16.648 1.00 0.00 H +TER +ATOM 18884 O WAT 5939 32.477 6.299 20.704 1.00 0.00 O +ATOM 18885 H1 WAT 5939 32.101 5.532 20.272 1.00 0.00 H +ATOM 18886 H2 WAT 5939 31.747 6.681 21.192 1.00 0.00 H +TER +ATOM 18887 O WAT 5940 17.066 6.978 27.325 1.00 0.00 O +ATOM 18888 H1 WAT 5940 17.434 6.890 28.205 1.00 0.00 H +ATOM 18889 H2 WAT 5940 16.497 6.214 27.226 1.00 0.00 H +TER +ATOM 18890 O WAT 5941 31.867 5.446 30.338 1.00 0.00 O +ATOM 18891 H1 WAT 5941 31.635 5.217 29.438 1.00 0.00 H +ATOM 18892 H2 WAT 5941 32.127 6.366 30.293 1.00 0.00 H +TER +ATOM 18893 O WAT 5942 16.618 3.888 31.231 1.00 0.00 O +ATOM 18894 H1 WAT 5942 15.723 3.855 31.570 1.00 0.00 H +ATOM 18895 H2 WAT 5942 17.158 4.087 31.996 1.00 0.00 H +TER +ATOM 18896 O WAT 5943 15.243 3.802 18.727 1.00 0.00 O +ATOM 18897 H1 WAT 5943 14.339 4.065 18.553 1.00 0.00 H +ATOM 18898 H2 WAT 5943 15.727 4.073 17.947 1.00 0.00 H +TER +ATOM 18899 O WAT 5944 31.752 4.525 24.005 1.00 0.00 O +ATOM 18900 H1 WAT 5944 32.276 4.031 23.374 1.00 0.00 H +ATOM 18901 H2 WAT 5944 32.338 4.660 24.750 1.00 0.00 H +TER +ATOM 18902 O WAT 5945 31.931 4.609 27.527 1.00 0.00 O +ATOM 18903 H1 WAT 5945 30.981 4.575 27.642 1.00 0.00 H +ATOM 18904 H2 WAT 5945 32.112 5.519 27.292 1.00 0.00 H +TER +ATOM 18905 O WAT 5946 17.785 2.859 16.637 1.00 0.00 O +ATOM 18906 H1 WAT 5946 18.494 2.437 16.152 1.00 0.00 H +ATOM 18907 H2 WAT 5946 17.069 2.926 16.005 1.00 0.00 H +TER +ATOM 18908 O WAT 5947 31.242 3.782 19.944 1.00 0.00 O +ATOM 18909 H1 WAT 5947 31.738 3.549 20.729 1.00 0.00 H +ATOM 18910 H2 WAT 5947 31.043 2.943 19.528 1.00 0.00 H +TER +ATOM 18911 O WAT 5948 32.671 2.418 22.478 1.00 0.00 O +ATOM 18912 H1 WAT 5948 32.560 2.264 23.416 1.00 0.00 H +ATOM 18913 H2 WAT 5948 33.431 1.890 22.236 1.00 0.00 H +TER +ATOM 18914 O WAT 5949 30.575 15.059 22.338 1.00 0.00 O +ATOM 18915 H1 WAT 5949 31.171 14.738 21.662 1.00 0.00 H +ATOM 18916 H2 WAT 5949 30.833 14.586 23.130 1.00 0.00 H +TER +ATOM 18917 O WAT 5950 18.482 11.491 32.487 1.00 0.00 O +ATOM 18918 H1 WAT 5950 18.438 11.120 33.369 1.00 0.00 H +ATOM 18919 H2 WAT 5950 18.613 12.429 32.627 1.00 0.00 H +TER +ATOM 18920 O WAT 5951 22.182 13.047 28.088 1.00 0.00 O +ATOM 18921 H1 WAT 5951 21.941 13.314 27.201 1.00 0.00 H +ATOM 18922 H2 WAT 5951 23.122 13.217 28.143 1.00 0.00 H +TER +ATOM 18923 O WAT 5952 33.443 15.066 28.889 1.00 0.00 O +ATOM 18924 H1 WAT 5952 32.948 15.463 28.172 1.00 0.00 H +ATOM 18925 H2 WAT 5952 32.834 14.441 29.283 1.00 0.00 H +TER +ATOM 18926 O WAT 5953 18.320 14.437 29.607 1.00 0.00 O +ATOM 18927 H1 WAT 5953 17.726 14.306 30.346 1.00 0.00 H +ATOM 18928 H2 WAT 5953 18.313 13.601 29.141 1.00 0.00 H +TER +ATOM 18929 O WAT 5954 31.126 15.709 26.168 1.00 0.00 O +ATOM 18930 H1 WAT 5954 30.667 16.460 25.794 1.00 0.00 H +ATOM 18931 H2 WAT 5954 30.498 14.989 26.109 1.00 0.00 H +TER +ATOM 18932 O WAT 5955 17.952 11.803 28.558 1.00 0.00 O +ATOM 18933 H1 WAT 5955 17.225 11.183 28.490 1.00 0.00 H +ATOM 18934 H2 WAT 5955 18.012 12.197 27.688 1.00 0.00 H +TER +ATOM 18935 O WAT 5956 21.556 14.017 25.343 1.00 0.00 O +ATOM 18936 H1 WAT 5956 22.073 13.406 24.818 1.00 0.00 H +ATOM 18937 H2 WAT 5956 22.206 14.520 25.834 1.00 0.00 H +TER +ATOM 18938 O WAT 5957 24.296 14.908 26.170 1.00 0.00 O +ATOM 18939 H1 WAT 5957 24.583 14.654 25.293 1.00 0.00 H +ATOM 18940 H2 WAT 5957 24.808 14.356 26.760 1.00 0.00 H +TER +ATOM 18941 O WAT 5958 16.235 15.120 21.768 1.00 0.00 O +ATOM 18942 H1 WAT 5958 16.067 14.487 22.466 1.00 0.00 H +ATOM 18943 H2 WAT 5958 15.368 15.326 21.417 1.00 0.00 H +TER +ATOM 18944 O WAT 5959 17.841 13.814 19.213 1.00 0.00 O +ATOM 18945 H1 WAT 5959 17.316 14.194 18.509 1.00 0.00 H +ATOM 18946 H2 WAT 5959 17.765 14.439 19.934 1.00 0.00 H +TER +ATOM 18947 O WAT 5960 24.363 15.830 33.537 1.00 0.00 O +ATOM 18948 H1 WAT 5960 25.290 15.594 33.580 1.00 0.00 H +ATOM 18949 H2 WAT 5960 24.348 16.657 33.055 1.00 0.00 H +TER +ATOM 18950 O WAT 5961 32.597 15.372 20.534 1.00 0.00 O +ATOM 18951 H1 WAT 5961 32.773 14.686 19.890 1.00 0.00 H +ATOM 18952 H2 WAT 5961 31.899 15.897 20.142 1.00 0.00 H +TER +ATOM 18953 O WAT 5962 20.440 15.762 18.087 1.00 0.00 O +ATOM 18954 H1 WAT 5962 21.172 15.478 17.540 1.00 0.00 H +ATOM 18955 H2 WAT 5962 20.699 15.523 18.977 1.00 0.00 H +TER +ATOM 18956 O WAT 5963 19.602 11.878 18.092 1.00 0.00 O +ATOM 18957 H1 WAT 5963 18.972 12.347 18.641 1.00 0.00 H +ATOM 18958 H2 WAT 5963 19.716 11.033 18.527 1.00 0.00 H +TER +ATOM 18959 O WAT 5964 30.931 15.057 33.361 1.00 0.00 O +ATOM 18960 H1 WAT 5964 31.723 14.562 33.153 1.00 0.00 H +ATOM 18961 H2 WAT 5964 31.224 15.736 33.968 1.00 0.00 H +TER +ATOM 18962 O WAT 5965 27.057 5.929 4.242 1.00 0.00 O +ATOM 18963 H1 WAT 5965 26.976 5.014 3.971 1.00 0.00 H +ATOM 18964 H2 WAT 5965 26.643 6.426 3.536 1.00 0.00 H +TER +ATOM 18965 O WAT 5966 25.188 7.707 6.123 1.00 0.00 O +ATOM 18966 H1 WAT 5966 24.413 7.227 6.413 1.00 0.00 H +ATOM 18967 H2 WAT 5966 25.840 7.027 5.949 1.00 0.00 H +TER +ATOM 18968 O WAT 5967 19.205 8.019 7.001 1.00 0.00 O +ATOM 18969 H1 WAT 5967 18.373 7.764 7.400 1.00 0.00 H +ATOM 18970 H2 WAT 5967 19.813 8.090 7.737 1.00 0.00 H +TER +ATOM 18971 O WAT 5968 29.209 12.113 4.903 1.00 0.00 O +ATOM 18972 H1 WAT 5968 28.747 11.342 5.232 1.00 0.00 H +ATOM 18973 H2 WAT 5968 30.022 12.139 5.408 1.00 0.00 H +TER +ATOM 18974 O WAT 5969 19.185 12.053 7.197 1.00 0.00 O +ATOM 18975 H1 WAT 5969 19.488 11.163 7.018 1.00 0.00 H +ATOM 18976 H2 WAT 5969 19.929 12.610 6.969 1.00 0.00 H +TER +ATOM 18977 O WAT 5970 15.577 5.580 6.669 1.00 0.00 O +ATOM 18978 H1 WAT 5970 16.149 4.812 6.669 1.00 0.00 H +ATOM 18979 H2 WAT 5970 15.578 5.878 5.760 1.00 0.00 H +TER +ATOM 18980 O WAT 5971 25.435 14.399 4.523 1.00 0.00 O +ATOM 18981 H1 WAT 5971 24.817 14.854 3.953 1.00 0.00 H +ATOM 18982 H2 WAT 5971 26.291 14.554 4.122 1.00 0.00 H +TER +ATOM 18983 O WAT 5972 24.629 10.383 6.130 1.00 0.00 O +ATOM 18984 H1 WAT 5972 24.560 9.442 5.969 1.00 0.00 H +ATOM 18985 H2 WAT 5972 25.391 10.473 6.702 1.00 0.00 H +TER +ATOM 18986 O WAT 5973 25.660 3.190 6.357 1.00 0.00 O +ATOM 18987 H1 WAT 5973 26.036 2.317 6.244 1.00 0.00 H +ATOM 18988 H2 WAT 5973 25.562 3.525 5.466 1.00 0.00 H +TER +ATOM 18989 O WAT 5974 17.439 3.484 7.064 1.00 0.00 O +ATOM 18990 H1 WAT 5974 18.120 3.748 7.683 1.00 0.00 H +ATOM 18991 H2 WAT 5974 17.123 2.644 7.398 1.00 0.00 H +TER +ATOM 18992 O WAT 5975 21.631 4.531 6.151 1.00 0.00 O +ATOM 18993 H1 WAT 5975 22.139 5.029 6.792 1.00 0.00 H +ATOM 18994 H2 WAT 5975 22.162 3.754 5.975 1.00 0.00 H +TER +ATOM 18995 O WAT 5976 33.732 2.701 9.854 1.00 0.00 O +ATOM 18996 H1 WAT 5976 33.027 3.089 9.336 1.00 0.00 H +ATOM 18997 H2 WAT 5976 33.998 3.396 10.456 1.00 0.00 H +TER +ATOM 18998 O WAT 5977 21.165 8.810 8.595 1.00 0.00 O +ATOM 18999 H1 WAT 5977 20.832 9.437 9.237 1.00 0.00 H +ATOM 19000 H2 WAT 5977 21.342 9.336 7.815 1.00 0.00 H +TER +ATOM 19001 O WAT 5978 29.678 2.625 6.063 1.00 0.00 O +ATOM 19002 H1 WAT 5978 28.974 2.913 6.643 1.00 0.00 H +ATOM 19003 H2 WAT 5978 30.040 3.435 5.703 1.00 0.00 H +TER +ATOM 19004 O WAT 5979 20.377 10.778 10.410 1.00 0.00 O +ATOM 19005 H1 WAT 5979 20.994 11.453 10.128 1.00 0.00 H +ATOM 19006 H2 WAT 5979 19.516 11.187 10.319 1.00 0.00 H +TER +ATOM 19007 O WAT 5980 31.295 12.242 8.325 1.00 0.00 O +ATOM 19008 H1 WAT 5980 30.611 12.912 8.317 1.00 0.00 H +ATOM 19009 H2 WAT 5980 31.834 12.440 7.560 1.00 0.00 H +TER +ATOM 19010 O WAT 5981 32.747 2.070 6.454 1.00 0.00 O +ATOM 19011 H1 WAT 5981 31.800 2.104 6.585 1.00 0.00 H +ATOM 19012 H2 WAT 5981 33.072 2.884 6.838 1.00 0.00 H +TER +ATOM 19013 O WAT 5982 28.830 14.087 7.040 1.00 0.00 O +ATOM 19014 H1 WAT 5982 28.843 13.683 6.172 1.00 0.00 H +ATOM 19015 H2 WAT 5982 28.278 14.861 6.936 1.00 0.00 H +TER +ATOM 19016 O WAT 5983 30.125 10.808 2.129 1.00 0.00 O +ATOM 19017 H1 WAT 5983 30.015 9.866 2.254 1.00 0.00 H +ATOM 19018 H2 WAT 5983 30.122 11.170 3.015 1.00 0.00 H +TER +ATOM 19019 O WAT 5984 28.229 8.990 8.368 1.00 0.00 O +ATOM 19020 H1 WAT 5984 28.646 8.776 7.534 1.00 0.00 H +ATOM 19021 H2 WAT 5984 28.953 9.247 8.939 1.00 0.00 H +TER +ATOM 19022 O WAT 5985 32.175 7.388 8.460 1.00 0.00 O +ATOM 19023 H1 WAT 5985 31.347 7.458 7.985 1.00 0.00 H +ATOM 19024 H2 WAT 5985 32.770 7.974 7.991 1.00 0.00 H +TER +ATOM 19025 O WAT 5986 29.139 4.175 9.405 1.00 0.00 O +ATOM 19026 H1 WAT 5986 28.727 5.001 9.659 1.00 0.00 H +ATOM 19027 H2 WAT 5986 28.407 3.590 9.213 1.00 0.00 H +TER +ATOM 19028 O WAT 5987 21.273 6.961 4.267 1.00 0.00 O +ATOM 19029 H1 WAT 5987 20.868 6.249 3.772 1.00 0.00 H +ATOM 19030 H2 WAT 5987 21.359 6.617 5.156 1.00 0.00 H +TER +ATOM 19031 O WAT 5988 21.741 10.648 6.431 1.00 0.00 O +ATOM 19032 H1 WAT 5988 21.444 10.043 5.752 1.00 0.00 H +ATOM 19033 H2 WAT 5988 22.691 10.686 6.320 1.00 0.00 H +TER +ATOM 19034 O WAT 5989 19.986 3.736 8.047 1.00 0.00 O +ATOM 19035 H1 WAT 5989 20.537 3.845 7.272 1.00 0.00 H +ATOM 19036 H2 WAT 5989 20.500 4.109 8.763 1.00 0.00 H +TER +ATOM 19037 O WAT 5990 29.829 14.221 10.093 1.00 0.00 O +ATOM 19038 H1 WAT 5990 29.352 15.028 9.901 1.00 0.00 H +ATOM 19039 H2 WAT 5990 29.146 13.569 10.246 1.00 0.00 H +TER +ATOM 19040 O WAT 5991 20.833 10.386 13.082 1.00 0.00 O +ATOM 19041 H1 WAT 5991 19.936 10.610 13.329 1.00 0.00 H +ATOM 19042 H2 WAT 5991 20.858 10.510 12.133 1.00 0.00 H +TER +ATOM 19043 O WAT 5992 19.660 7.257 11.658 1.00 0.00 O +ATOM 19044 H1 WAT 5992 19.521 8.130 12.026 1.00 0.00 H +ATOM 19045 H2 WAT 5992 18.778 6.915 11.512 1.00 0.00 H +TER +ATOM 19046 O WAT 5993 25.983 12.175 2.964 1.00 0.00 O +ATOM 19047 H1 WAT 5993 26.422 12.918 2.550 1.00 0.00 H +ATOM 19048 H2 WAT 5993 25.921 12.418 3.888 1.00 0.00 H +TER +ATOM 19049 O WAT 5994 21.458 13.200 13.866 1.00 0.00 O +ATOM 19050 H1 WAT 5994 21.429 13.604 12.999 1.00 0.00 H +ATOM 19051 H2 WAT 5994 21.294 12.271 13.703 1.00 0.00 H +TER +ATOM 19052 O WAT 5995 33.409 13.982 15.163 1.00 0.00 O +ATOM 19053 H1 WAT 5995 33.885 14.461 15.841 1.00 0.00 H +ATOM 19054 H2 WAT 5995 34.030 13.914 14.437 1.00 0.00 H +TER +ATOM 19055 O WAT 5996 15.612 9.027 7.575 1.00 0.00 O +ATOM 19056 H1 WAT 5996 15.690 9.162 6.630 1.00 0.00 H +ATOM 19057 H2 WAT 5996 16.226 8.319 7.767 1.00 0.00 H +TER +ATOM 19058 O WAT 5997 16.856 10.727 3.985 1.00 0.00 O +ATOM 19059 H1 WAT 5997 16.449 10.869 3.131 1.00 0.00 H +ATOM 19060 H2 WAT 5997 17.748 10.443 3.782 1.00 0.00 H +TER +ATOM 19061 O WAT 5998 32.813 11.174 12.323 1.00 0.00 O +ATOM 19062 H1 WAT 5998 32.939 10.935 11.404 1.00 0.00 H +ATOM 19063 H2 WAT 5998 32.855 10.342 12.795 1.00 0.00 H +TER +ATOM 19064 O WAT 5999 26.674 14.876 10.892 1.00 0.00 O +ATOM 19065 H1 WAT 5999 27.189 14.787 11.694 1.00 0.00 H +ATOM 19066 H2 WAT 5999 25.831 15.222 11.185 1.00 0.00 H +TER +ATOM 19067 O WAT 6000 27.917 14.297 2.955 1.00 0.00 O +ATOM 19068 H1 WAT 6000 28.373 13.516 3.269 1.00 0.00 H +ATOM 19069 H2 WAT 6000 28.257 15.008 3.499 1.00 0.00 H +TER +ATOM 19070 O WAT 6001 32.665 3.227 13.287 1.00 0.00 O +ATOM 19071 H1 WAT 6001 32.050 3.735 12.759 1.00 0.00 H +ATOM 19072 H2 WAT 6001 32.345 2.327 13.230 1.00 0.00 H +TER +ATOM 19073 O WAT 6002 15.668 10.069 10.114 1.00 0.00 O +ATOM 19074 H1 WAT 6002 15.831 9.599 9.296 1.00 0.00 H +ATOM 19075 H2 WAT 6002 16.133 9.561 10.779 1.00 0.00 H +TER +ATOM 19076 O WAT 6003 29.727 3.287 11.883 1.00 0.00 O +ATOM 19077 H1 WAT 6003 28.876 2.988 12.204 1.00 0.00 H +ATOM 19078 H2 WAT 6003 29.567 3.531 10.972 1.00 0.00 H +TER +ATOM 19079 O WAT 6004 26.822 4.787 13.983 1.00 0.00 O +ATOM 19080 H1 WAT 6004 27.147 3.954 13.643 1.00 0.00 H +ATOM 19081 H2 WAT 6004 27.610 5.310 14.131 1.00 0.00 H +TER +ATOM 19082 O WAT 6005 20.231 4.323 2.878 1.00 0.00 O +ATOM 19083 H1 WAT 6005 20.005 4.106 3.783 1.00 0.00 H +ATOM 19084 H2 WAT 6005 19.450 4.755 2.533 1.00 0.00 H +TER +ATOM 19085 O WAT 6006 22.671 5.221 13.544 1.00 0.00 O +ATOM 19086 H1 WAT 6006 22.575 4.281 13.394 1.00 0.00 H +ATOM 19087 H2 WAT 6006 23.514 5.443 13.149 1.00 0.00 H +TER +ATOM 19088 O WAT 6007 26.067 2.965 3.508 1.00 0.00 O +ATOM 19089 H1 WAT 6007 26.460 3.283 2.695 1.00 0.00 H +ATOM 19090 H2 WAT 6007 26.429 2.086 3.622 1.00 0.00 H +TER +ATOM 19091 O WAT 6008 26.653 5.556 7.603 1.00 0.00 O +ATOM 19092 H1 WAT 6008 25.921 6.065 7.952 1.00 0.00 H +ATOM 19093 H2 WAT 6008 26.255 4.739 7.302 1.00 0.00 H +TER +ATOM 19094 O WAT 6009 17.242 9.444 12.274 1.00 0.00 O +ATOM 19095 H1 WAT 6009 16.857 8.803 12.872 1.00 0.00 H +ATOM 19096 H2 WAT 6009 17.553 10.147 12.843 1.00 0.00 H +TER +ATOM 19097 O WAT 6010 23.391 6.291 7.755 1.00 0.00 O +ATOM 19098 H1 WAT 6010 23.758 5.817 8.501 1.00 0.00 H +ATOM 19099 H2 WAT 6010 23.202 7.166 8.095 1.00 0.00 H +TER +ATOM 19100 O WAT 6011 21.181 5.332 10.073 1.00 0.00 O +ATOM 19101 H1 WAT 6011 20.877 6.212 10.298 1.00 0.00 H +ATOM 19102 H2 WAT 6011 22.136 5.392 10.109 1.00 0.00 H +TER +ATOM 19103 O WAT 6012 30.468 8.535 6.462 1.00 0.00 O +ATOM 19104 H1 WAT 6012 31.188 9.030 6.072 1.00 0.00 H +ATOM 19105 H2 WAT 6012 30.266 7.857 5.818 1.00 0.00 H +TER +ATOM 19106 O WAT 6013 25.850 8.606 12.349 1.00 0.00 O +ATOM 19107 H1 WAT 6013 25.784 7.685 12.095 1.00 0.00 H +ATOM 19108 H2 WAT 6013 25.221 8.703 13.064 1.00 0.00 H +TER +ATOM 19109 O WAT 6014 19.753 9.206 4.308 1.00 0.00 O +ATOM 19110 H1 WAT 6014 20.271 8.403 4.253 1.00 0.00 H +ATOM 19111 H2 WAT 6014 19.302 9.144 5.149 1.00 0.00 H +TER +ATOM 19112 O WAT 6015 17.238 6.173 11.220 1.00 0.00 O +ATOM 19113 H1 WAT 6015 16.879 6.838 11.807 1.00 0.00 H +ATOM 19114 H2 WAT 6015 16.943 5.341 11.591 1.00 0.00 H +TER +ATOM 19115 O WAT 6016 20.439 6.631 14.104 1.00 0.00 O +ATOM 19116 H1 WAT 6016 20.139 6.777 13.207 1.00 0.00 H +ATOM 19117 H2 WAT 6016 21.210 6.072 14.011 1.00 0.00 H +TER +ATOM 19118 O WAT 6017 25.782 11.428 12.100 1.00 0.00 O +ATOM 19119 H1 WAT 6017 25.796 10.496 11.881 1.00 0.00 H +ATOM 19120 H2 WAT 6017 25.074 11.514 12.739 1.00 0.00 H +TER +ATOM 19121 O WAT 6018 31.993 8.069 11.446 1.00 0.00 O +ATOM 19122 H1 WAT 6018 31.268 8.662 11.249 1.00 0.00 H +ATOM 19123 H2 WAT 6018 32.520 8.061 10.648 1.00 0.00 H +TER +ATOM 19124 O WAT 6019 27.523 9.795 4.945 1.00 0.00 O +ATOM 19125 H1 WAT 6019 27.875 9.197 4.285 1.00 0.00 H +ATOM 19126 H2 WAT 6019 26.639 9.469 5.116 1.00 0.00 H +TER +ATOM 19127 O WAT 6020 23.609 10.554 2.352 1.00 0.00 O +ATOM 19128 H1 WAT 6020 24.296 11.101 2.733 1.00 0.00 H +ATOM 19129 H2 WAT 6020 22.822 11.099 2.387 1.00 0.00 H +TER +ATOM 19130 O WAT 6021 25.215 13.070 9.194 1.00 0.00 O +ATOM 19131 H1 WAT 6021 25.859 13.276 9.871 1.00 0.00 H +ATOM 19132 H2 WAT 6021 25.578 12.309 8.741 1.00 0.00 H +TER +ATOM 19133 O WAT 6022 26.488 11.073 7.911 1.00 0.00 O +ATOM 19134 H1 WAT 6022 27.131 10.372 8.025 1.00 0.00 H +ATOM 19135 H2 WAT 6022 27.013 11.853 7.731 1.00 0.00 H +TER +ATOM 19136 O WAT 6023 28.262 11.872 11.115 1.00 0.00 O +ATOM 19137 H1 WAT 6023 28.598 12.459 11.793 1.00 0.00 H +ATOM 19138 H2 WAT 6023 27.342 11.742 11.345 1.00 0.00 H +TER +ATOM 19139 O WAT 6024 16.100 13.650 12.884 1.00 0.00 O +ATOM 19140 H1 WAT 6024 16.209 12.709 12.744 1.00 0.00 H +ATOM 19141 H2 WAT 6024 15.448 13.915 12.235 1.00 0.00 H +TER +ATOM 19142 O WAT 6025 24.091 11.922 14.284 1.00 0.00 O +ATOM 19143 H1 WAT 6025 23.771 11.202 14.828 1.00 0.00 H +ATOM 19144 H2 WAT 6025 23.417 12.597 14.357 1.00 0.00 H +TER +ATOM 19145 O WAT 6026 24.267 4.808 9.871 1.00 0.00 O +ATOM 19146 H1 WAT 6026 24.765 5.283 10.536 1.00 0.00 H +ATOM 19147 H2 WAT 6026 24.409 3.884 10.078 1.00 0.00 H +TER +ATOM 19148 O WAT 6027 29.765 6.268 4.160 1.00 0.00 O +ATOM 19149 H1 WAT 6027 28.824 6.283 4.335 1.00 0.00 H +ATOM 19150 H2 WAT 6027 30.080 5.482 4.606 1.00 0.00 H +TER +ATOM 19151 O WAT 6028 31.768 13.439 5.836 1.00 0.00 O +ATOM 19152 H1 WAT 6028 31.893 14.262 6.308 1.00 0.00 H +ATOM 19153 H2 WAT 6028 32.635 13.228 5.488 1.00 0.00 H +TER +ATOM 19154 O WAT 6029 19.240 15.532 5.507 1.00 0.00 O +ATOM 19155 H1 WAT 6029 19.976 14.984 5.778 1.00 0.00 H +ATOM 19156 H2 WAT 6029 19.624 16.398 5.368 1.00 0.00 H +TER +ATOM 19157 O WAT 6030 18.246 14.717 14.696 1.00 0.00 O +ATOM 19158 H1 WAT 6030 19.047 15.038 15.109 1.00 0.00 H +ATOM 19159 H2 WAT 6030 17.731 14.356 15.418 1.00 0.00 H +TER +ATOM 19160 O WAT 6031 27.082 10.825 14.643 1.00 0.00 O +ATOM 19161 H1 WAT 6031 26.476 10.848 13.903 1.00 0.00 H +ATOM 19162 H2 WAT 6031 26.777 10.093 15.180 1.00 0.00 H +TER +ATOM 19163 O WAT 6032 28.512 14.553 13.254 1.00 0.00 O +ATOM 19164 H1 WAT 6032 29.464 14.469 13.204 1.00 0.00 H +ATOM 19165 H2 WAT 6032 28.365 15.217 13.928 1.00 0.00 H +TER +ATOM 19166 O WAT 6033 15.965 7.204 13.640 1.00 0.00 O +ATOM 19167 H1 WAT 6033 16.469 6.625 14.211 1.00 0.00 H +ATOM 19168 H2 WAT 6033 15.226 7.488 14.177 1.00 0.00 H +TER +ATOM 19169 O WAT 6034 23.019 8.611 13.173 1.00 0.00 O +ATOM 19170 H1 WAT 6034 22.254 9.180 13.089 1.00 0.00 H +ATOM 19171 H2 WAT 6034 23.201 8.319 12.280 1.00 0.00 H +TER +ATOM 19172 O WAT 6035 30.161 10.342 13.731 1.00 0.00 O +ATOM 19173 H1 WAT 6035 30.902 10.679 13.227 1.00 0.00 H +ATOM 19174 H2 WAT 6035 29.399 10.511 13.178 1.00 0.00 H +TER +ATOM 19175 O WAT 6036 17.998 5.347 14.535 1.00 0.00 O +ATOM 19176 H1 WAT 6036 18.038 5.049 15.443 1.00 0.00 H +ATOM 19177 H2 WAT 6036 18.852 5.748 14.375 1.00 0.00 H +TER +ATOM 19178 O WAT 6037 19.938 3.926 12.502 1.00 0.00 O +ATOM 19179 H1 WAT 6037 19.408 3.435 11.874 1.00 0.00 H +ATOM 19180 H2 WAT 6037 20.607 4.355 11.968 1.00 0.00 H +TER +ATOM 19181 O WAT 6038 28.836 8.393 12.266 1.00 0.00 O +ATOM 19182 H1 WAT 6038 29.250 8.548 13.115 1.00 0.00 H +ATOM 19183 H2 WAT 6038 27.901 8.519 12.429 1.00 0.00 H +TER +ATOM 19184 O WAT 6039 29.308 5.733 14.270 1.00 0.00 O +ATOM 19185 H1 WAT 6039 29.890 4.978 14.182 1.00 0.00 H +ATOM 19186 H2 WAT 6039 29.484 6.264 13.493 1.00 0.00 H +TER +ATOM 19187 O WAT 6040 23.598 8.345 10.236 1.00 0.00 O +ATOM 19188 H1 WAT 6040 24.016 9.189 10.063 1.00 0.00 H +ATOM 19189 H2 WAT 6040 22.678 8.483 10.006 1.00 0.00 H +TER +ATOM 19190 O WAT 6041 25.934 6.077 11.620 1.00 0.00 O +ATOM 19191 H1 WAT 6041 26.054 5.481 12.359 1.00 0.00 H +ATOM 19192 H2 WAT 6041 26.793 6.114 11.200 1.00 0.00 H +TER +ATOM 19193 O WAT 6042 28.273 6.631 10.196 1.00 0.00 O +ATOM 19194 H1 WAT 6042 27.746 7.155 9.592 1.00 0.00 H +ATOM 19195 H2 WAT 6042 28.616 7.263 10.827 1.00 0.00 H +TER +ATOM 19196 O WAT 6043 21.448 14.651 11.351 1.00 0.00 O +ATOM 19197 H1 WAT 6043 20.910 15.375 11.032 1.00 0.00 H +ATOM 19198 H2 WAT 6043 21.702 14.174 10.561 1.00 0.00 H +TER +ATOM 19199 O WAT 6044 22.701 2.619 12.877 1.00 0.00 O +ATOM 19200 H1 WAT 6044 23.291 2.311 13.565 1.00 0.00 H +ATOM 19201 H2 WAT 6044 21.883 2.147 13.033 1.00 0.00 H +TER +ATOM 19202 O WAT 6045 24.305 15.886 11.610 1.00 0.00 O +ATOM 19203 H1 WAT 6045 24.230 16.789 11.917 1.00 0.00 H +ATOM 19204 H2 WAT 6045 23.402 15.567 11.582 1.00 0.00 H +TER +ATOM 19205 O WAT 6046 15.707 13.213 4.914 1.00 0.00 O +ATOM 19206 H1 WAT 6046 16.038 12.345 4.681 1.00 0.00 H +ATOM 19207 H2 WAT 6046 16.136 13.419 5.744 1.00 0.00 H +TER +ATOM 19208 O WAT 6047 20.303 11.544 2.574 1.00 0.00 O +ATOM 19209 H1 WAT 6047 20.003 11.421 3.474 1.00 0.00 H +ATOM 19210 H2 WAT 6047 20.197 10.685 2.165 1.00 0.00 H +TER +ATOM 19211 O WAT 6048 16.196 14.080 7.652 1.00 0.00 O +ATOM 19212 H1 WAT 6048 15.759 14.260 8.484 1.00 0.00 H +ATOM 19213 H2 WAT 6048 16.764 14.838 7.510 1.00 0.00 H +TER +ATOM 19214 O WAT 6049 31.832 13.582 11.939 1.00 0.00 O +ATOM 19215 H1 WAT 6049 31.233 13.641 11.196 1.00 0.00 H +ATOM 19216 H2 WAT 6049 31.962 12.642 12.069 1.00 0.00 H +TER +ATOM 19217 O WAT 6050 16.029 6.592 4.011 1.00 0.00 O +ATOM 19218 H1 WAT 6050 15.374 6.323 3.367 1.00 0.00 H +ATOM 19219 H2 WAT 6050 16.866 6.483 3.561 1.00 0.00 H +TER +ATOM 19220 O WAT 6051 33.534 8.924 4.624 1.00 0.00 O +ATOM 19221 H1 WAT 6051 33.905 8.140 4.218 1.00 0.00 H +ATOM 19222 H2 WAT 6051 34.174 9.612 4.446 1.00 0.00 H +TER +ATOM 19223 O WAT 6052 30.518 10.307 10.037 1.00 0.00 O +ATOM 19224 H1 WAT 6052 29.704 10.737 10.300 1.00 0.00 H +ATOM 19225 H2 WAT 6052 30.925 10.919 9.424 1.00 0.00 H +TER +ATOM 19226 O WAT 6053 17.066 6.978 8.551 1.00 0.00 O +ATOM 19227 H1 WAT 6053 17.434 6.890 9.431 1.00 0.00 H +ATOM 19228 H2 WAT 6053 16.497 6.214 8.452 1.00 0.00 H +TER +ATOM 19229 O WAT 6054 31.867 5.446 11.564 1.00 0.00 O +ATOM 19230 H1 WAT 6054 31.635 5.217 10.664 1.00 0.00 H +ATOM 19231 H2 WAT 6054 32.127 6.366 11.518 1.00 0.00 H +TER +ATOM 19232 O WAT 6055 16.618 3.888 12.457 1.00 0.00 O +ATOM 19233 H1 WAT 6055 15.723 3.855 12.796 1.00 0.00 H +ATOM 19234 H2 WAT 6055 17.158 4.087 13.222 1.00 0.00 H +TER +ATOM 19235 O WAT 6056 31.752 4.525 5.231 1.00 0.00 O +ATOM 19236 H1 WAT 6056 32.276 4.031 4.600 1.00 0.00 H +ATOM 19237 H2 WAT 6056 32.338 4.660 5.975 1.00 0.00 H +TER +ATOM 19238 O WAT 6057 31.931 4.609 8.753 1.00 0.00 O +ATOM 19239 H1 WAT 6057 30.981 4.575 8.867 1.00 0.00 H +ATOM 19240 H2 WAT 6057 32.112 5.519 8.518 1.00 0.00 H +TER +ATOM 19241 O WAT 6058 32.671 2.418 3.704 1.00 0.00 O +ATOM 19242 H1 WAT 6058 32.560 2.264 4.642 1.00 0.00 H +ATOM 19243 H2 WAT 6058 33.431 1.890 3.461 1.00 0.00 H +TER +ATOM 19244 O WAT 6059 30.575 15.059 3.564 1.00 0.00 O +ATOM 19245 H1 WAT 6059 31.171 14.738 2.887 1.00 0.00 H +ATOM 19246 H2 WAT 6059 30.833 14.586 4.355 1.00 0.00 H +TER +ATOM 19247 O WAT 6060 18.482 11.491 13.713 1.00 0.00 O +ATOM 19248 H1 WAT 6060 18.438 11.120 14.594 1.00 0.00 H +ATOM 19249 H2 WAT 6060 18.613 12.429 13.853 1.00 0.00 H +TER +ATOM 19250 O WAT 6061 22.182 13.047 9.314 1.00 0.00 O +ATOM 19251 H1 WAT 6061 21.941 13.314 8.427 1.00 0.00 H +ATOM 19252 H2 WAT 6061 23.122 13.217 9.369 1.00 0.00 H +TER +ATOM 19253 O WAT 6062 33.443 15.066 10.115 1.00 0.00 O +ATOM 19254 H1 WAT 6062 32.948 15.463 9.398 1.00 0.00 H +ATOM 19255 H2 WAT 6062 32.834 14.441 10.509 1.00 0.00 H +TER +ATOM 19256 O WAT 6063 18.320 14.437 10.833 1.00 0.00 O +ATOM 19257 H1 WAT 6063 17.726 14.306 11.572 1.00 0.00 H +ATOM 19258 H2 WAT 6063 18.313 13.601 10.367 1.00 0.00 H +TER +ATOM 19259 O WAT 6064 31.126 15.709 7.394 1.00 0.00 O +ATOM 19260 H1 WAT 6064 30.667 16.460 7.019 1.00 0.00 H +ATOM 19261 H2 WAT 6064 30.498 14.989 7.335 1.00 0.00 H +TER +ATOM 19262 O WAT 6065 17.952 11.803 9.783 1.00 0.00 O +ATOM 19263 H1 WAT 6065 17.225 11.183 9.716 1.00 0.00 H +ATOM 19264 H2 WAT 6065 18.012 12.197 8.913 1.00 0.00 H +TER +ATOM 19265 O WAT 6066 21.556 14.017 6.568 1.00 0.00 O +ATOM 19266 H1 WAT 6066 22.073 13.406 6.043 1.00 0.00 H +ATOM 19267 H2 WAT 6066 22.206 14.520 7.060 1.00 0.00 H +TER +ATOM 19268 O WAT 6067 24.296 14.908 7.395 1.00 0.00 O +ATOM 19269 H1 WAT 6067 24.583 14.654 6.519 1.00 0.00 H +ATOM 19270 H2 WAT 6067 24.808 14.356 7.986 1.00 0.00 H +TER +ATOM 19271 O WAT 6068 16.235 15.120 2.993 1.00 0.00 O +ATOM 19272 H1 WAT 6068 16.067 14.487 3.691 1.00 0.00 H +ATOM 19273 H2 WAT 6068 15.368 15.326 2.643 1.00 0.00 H +TER +ATOM 19274 O WAT 6069 24.363 15.830 14.762 1.00 0.00 O +ATOM 19275 H1 WAT 6069 25.290 15.594 14.806 1.00 0.00 H +ATOM 19276 H2 WAT 6069 24.348 16.657 14.281 1.00 0.00 H +TER +ATOM 19277 O WAT 6070 30.931 15.057 14.586 1.00 0.00 O +ATOM 19278 H1 WAT 6070 31.723 14.562 14.379 1.00 0.00 H +ATOM 19279 H2 WAT 6070 31.224 15.736 15.194 1.00 0.00 H +TER +ATOM 19280 O WAT 6071 8.282 62.252 60.565 1.00 0.00 O +ATOM 19281 H1 WAT 6071 8.202 61.337 60.294 1.00 0.00 H +ATOM 19282 H2 WAT 6071 7.869 62.749 59.859 1.00 0.00 H +TER +ATOM 19283 O WAT 6072 6.414 64.030 62.446 1.00 0.00 O +ATOM 19284 H1 WAT 6072 5.638 63.550 62.736 1.00 0.00 H +ATOM 19285 H2 WAT 6072 7.065 63.350 62.272 1.00 0.00 H +TER +ATOM 19286 O WAT 6073 5.855 66.706 62.453 1.00 0.00 O +ATOM 19287 H1 WAT 6073 5.786 65.765 62.292 1.00 0.00 H +ATOM 19288 H2 WAT 6073 6.617 66.796 63.025 1.00 0.00 H +TER +ATOM 19289 O WAT 6074 6.885 59.513 62.680 1.00 0.00 O +ATOM 19290 H1 WAT 6074 7.262 58.640 62.567 1.00 0.00 H +ATOM 19291 H2 WAT 6074 6.787 59.849 61.789 1.00 0.00 H +TER +ATOM 19292 O WAT 6075 10.668 57.008 59.613 1.00 0.00 O +ATOM 19293 H1 WAT 6075 11.489 56.517 59.655 1.00 0.00 H +ATOM 19294 H2 WAT 6075 10.701 57.597 60.366 1.00 0.00 H +TER +ATOM 19295 O WAT 6076 2.857 60.854 62.474 1.00 0.00 O +ATOM 19296 H1 WAT 6076 3.365 61.352 63.115 1.00 0.00 H +ATOM 19297 H2 WAT 6076 3.388 60.077 62.298 1.00 0.00 H +TER +ATOM 19298 O WAT 6077 7.527 65.606 58.240 1.00 0.00 O +ATOM 19299 H1 WAT 6077 6.909 66.071 57.676 1.00 0.00 H +ATOM 19300 H2 WAT 6077 8.040 66.298 58.657 1.00 0.00 H +TER +ATOM 19301 O WAT 6078 2.391 65.133 64.918 1.00 0.00 O +ATOM 19302 H1 WAT 6078 2.058 65.760 65.560 1.00 0.00 H +ATOM 19303 H2 WAT 6078 2.567 65.659 64.138 1.00 0.00 H +TER +ATOM 19304 O WAT 6079 10.904 58.948 62.386 1.00 0.00 O +ATOM 19305 H1 WAT 6079 10.200 59.236 62.966 1.00 0.00 H +ATOM 19306 H2 WAT 6079 11.265 59.758 62.026 1.00 0.00 H +TER +ATOM 19307 O WAT 6080 13.973 58.393 62.777 1.00 0.00 O +ATOM 19308 H1 WAT 6080 13.025 58.427 62.908 1.00 0.00 H +ATOM 19309 H2 WAT 6080 14.298 59.207 63.162 1.00 0.00 H +TER +ATOM 19310 O WAT 6081 4.505 54.693 61.072 1.00 0.00 O +ATOM 19311 H1 WAT 6081 4.812 54.138 60.356 1.00 0.00 H +ATOM 19312 H2 WAT 6081 3.575 54.827 60.890 1.00 0.00 H +TER +ATOM 19313 O WAT 6082 11.351 67.131 58.452 1.00 0.00 O +ATOM 19314 H1 WAT 6082 11.240 66.189 58.577 1.00 0.00 H +ATOM 19315 H2 WAT 6082 11.347 67.493 59.338 1.00 0.00 H +TER +ATOM 19316 O WAT 6083 9.455 65.313 64.691 1.00 0.00 O +ATOM 19317 H1 WAT 6083 9.872 65.099 63.857 1.00 0.00 H +ATOM 19318 H2 WAT 6083 10.179 65.570 65.262 1.00 0.00 H +TER +ATOM 19319 O WAT 6084 6.893 62.758 57.808 1.00 0.00 O +ATOM 19320 H1 WAT 6084 5.966 62.692 58.037 1.00 0.00 H +ATOM 19321 H2 WAT 6084 7.045 63.696 57.694 1.00 0.00 H +TER +ATOM 19322 O WAT 6085 6.880 59.030 54.805 1.00 0.00 O +ATOM 19323 H1 WAT 6085 5.940 59.191 54.890 1.00 0.00 H +ATOM 19324 H2 WAT 6085 7.198 59.748 54.259 1.00 0.00 H +TER +ATOM 19325 O WAT 6086 13.401 63.711 64.783 1.00 0.00 O +ATOM 19326 H1 WAT 6086 12.573 63.781 64.308 1.00 0.00 H +ATOM 19327 H2 WAT 6086 13.996 64.297 64.314 1.00 0.00 H +TER +ATOM 19328 O WAT 6087 10.922 64.320 58.312 1.00 0.00 O +ATOM 19329 H1 WAT 6087 10.304 63.982 57.664 1.00 0.00 H +ATOM 19330 H2 WAT 6087 10.905 63.676 59.020 1.00 0.00 H +TER +ATOM 19331 O WAT 6088 10.365 60.498 65.728 1.00 0.00 O +ATOM 19332 H1 WAT 6088 9.952 61.324 65.982 1.00 0.00 H +ATOM 19333 H2 WAT 6088 9.633 59.913 65.536 1.00 0.00 H +TER +ATOM 19334 O WAT 6089 2.498 63.284 60.590 1.00 0.00 O +ATOM 19335 H1 WAT 6089 2.094 62.572 60.095 1.00 0.00 H +ATOM 19336 H2 WAT 6089 2.585 62.940 61.479 1.00 0.00 H +TER +ATOM 19337 O WAT 6090 2.967 66.971 62.754 1.00 0.00 O +ATOM 19338 H1 WAT 6090 2.669 66.366 62.075 1.00 0.00 H +ATOM 19339 H2 WAT 6090 3.917 67.009 62.643 1.00 0.00 H +TER +ATOM 19340 O WAT 6091 9.099 63.559 55.319 1.00 0.00 O +ATOM 19341 H1 WAT 6091 9.538 62.721 55.173 1.00 0.00 H +ATOM 19342 H2 WAT 6091 9.812 64.191 55.405 1.00 0.00 H +TER +ATOM 19343 O WAT 6092 12.681 54.813 53.633 1.00 0.00 O +ATOM 19344 H1 WAT 6092 12.368 54.905 54.533 1.00 0.00 H +ATOM 19345 H2 WAT 6092 13.442 55.391 53.583 1.00 0.00 H +TER +ATOM 19346 O WAT 6093 4.781 55.143 56.354 1.00 0.00 O +ATOM 19347 H1 WAT 6093 4.156 55.139 57.079 1.00 0.00 H +ATOM 19348 H2 WAT 6093 4.694 54.276 55.957 1.00 0.00 H +TER +ATOM 19349 O WAT 6094 3.703 56.067 63.332 1.00 0.00 O +ATOM 19350 H1 WAT 6094 4.000 56.973 63.251 1.00 0.00 H +ATOM 19351 H2 WAT 6094 4.251 55.579 62.718 1.00 0.00 H +TER +ATOM 19352 O WAT 6095 8.686 60.652 57.800 1.00 0.00 O +ATOM 19353 H1 WAT 6095 8.087 61.376 57.617 1.00 0.00 H +ATOM 19354 H2 WAT 6095 9.234 60.590 57.018 1.00 0.00 H +TER +ATOM 19355 O WAT 6096 7.293 59.288 59.831 1.00 0.00 O +ATOM 19356 H1 WAT 6096 7.686 59.606 59.018 1.00 0.00 H +ATOM 19357 H2 WAT 6096 7.655 58.410 59.945 1.00 0.00 H +TER +ATOM 19358 O WAT 6097 7.878 61.879 63.926 1.00 0.00 O +ATOM 19359 H1 WAT 6097 7.147 62.388 64.275 1.00 0.00 H +ATOM 19360 H2 WAT 6097 7.481 61.062 63.625 1.00 0.00 H +TER +ATOM 19361 O WAT 6098 4.316 58.554 62.331 1.00 0.00 O +ATOM 19362 H1 WAT 6098 4.320 58.113 61.482 1.00 0.00 H +ATOM 19363 H2 WAT 6098 5.211 58.876 62.438 1.00 0.00 H +TER +ATOM 19364 O WAT 6099 4.378 59.556 55.322 1.00 0.00 O +ATOM 19365 H1 WAT 6099 4.499 59.514 56.270 1.00 0.00 H +ATOM 19366 H2 WAT 6099 3.993 60.418 55.166 1.00 0.00 H +TER +ATOM 19367 O WAT 6100 8.341 57.332 63.338 1.00 0.00 O +ATOM 19368 H1 WAT 6100 8.358 57.783 64.182 1.00 0.00 H +ATOM 19369 H2 WAT 6100 8.093 56.433 63.551 1.00 0.00 H +TER +ATOM 19370 O WAT 6101 3.390 61.866 54.720 1.00 0.00 O +ATOM 19371 H1 WAT 6101 2.822 61.417 54.094 1.00 0.00 H +ATOM 19372 H2 WAT 6101 4.099 62.225 54.187 1.00 0.00 H +TER +ATOM 19373 O WAT 6102 4.617 62.615 64.078 1.00 0.00 O +ATOM 19374 H1 WAT 6102 4.984 62.140 64.824 1.00 0.00 H +ATOM 19375 H2 WAT 6102 4.427 63.489 64.418 1.00 0.00 H +TER +ATOM 19376 O WAT 6103 11.694 64.858 62.785 1.00 0.00 O +ATOM 19377 H1 WAT 6103 12.414 65.354 62.395 1.00 0.00 H +ATOM 19378 H2 WAT 6103 11.492 64.180 62.141 1.00 0.00 H +TER +ATOM 19379 O WAT 6104 7.155 56.252 56.928 1.00 0.00 O +ATOM 19380 H1 WAT 6104 6.341 55.753 56.853 1.00 0.00 H +ATOM 19381 H2 WAT 6104 6.961 57.092 56.512 1.00 0.00 H +TER +ATOM 19382 O WAT 6105 9.870 60.624 55.225 1.00 0.00 O +ATOM 19383 H1 WAT 6105 10.758 60.935 55.050 1.00 0.00 H +ATOM 19384 H2 WAT 6105 9.840 59.751 54.833 1.00 0.00 H +TER +ATOM 19385 O WAT 6106 5.866 66.796 55.903 1.00 0.00 O +ATOM 19386 H1 WAT 6106 6.207 67.540 55.408 1.00 0.00 H +ATOM 19387 H2 WAT 6106 5.037 67.109 56.266 1.00 0.00 H +TER +ATOM 19388 O WAT 6107 12.141 61.935 54.692 1.00 0.00 O +ATOM 19389 H1 WAT 6107 12.057 62.366 53.842 1.00 0.00 H +ATOM 19390 H2 WAT 6107 12.861 62.395 55.125 1.00 0.00 H +TER +ATOM 19391 O WAT 6108 8.748 66.118 61.268 1.00 0.00 O +ATOM 19392 H1 WAT 6108 9.101 65.521 60.608 1.00 0.00 H +ATOM 19393 H2 WAT 6108 7.865 65.792 61.439 1.00 0.00 H +TER +ATOM 19394 O WAT 6109 4.835 66.877 58.675 1.00 0.00 O +ATOM 19395 H1 WAT 6109 5.522 67.424 59.056 1.00 0.00 H +ATOM 19396 H2 WAT 6109 4.048 67.422 58.710 1.00 0.00 H +TER +ATOM 19397 O WAT 6110 4.138 63.882 58.287 1.00 0.00 O +ATOM 19398 H1 WAT 6110 4.594 64.693 58.513 1.00 0.00 H +ATOM 19399 H2 WAT 6110 3.786 63.564 59.119 1.00 0.00 H +TER +ATOM 19400 O WAT 6111 11.560 67.681 53.958 1.00 0.00 O +ATOM 19401 H1 WAT 6111 11.333 66.964 54.551 1.00 0.00 H +ATOM 19402 H2 WAT 6111 11.169 67.432 53.121 1.00 0.00 H +TER +ATOM 19403 O WAT 6112 11.141 65.598 55.620 1.00 0.00 O +ATOM 19404 H1 WAT 6112 10.853 66.059 56.408 1.00 0.00 H +ATOM 19405 H2 WAT 6112 11.936 65.138 55.888 1.00 0.00 H +TER +ATOM 19406 O WAT 6113 11.898 57.433 56.779 1.00 0.00 O +ATOM 19407 H1 WAT 6113 11.269 57.537 56.065 1.00 0.00 H +ATOM 19408 H2 WAT 6113 11.403 57.653 57.569 1.00 0.00 H +TER +ATOM 19409 O WAT 6114 3.867 59.711 58.195 1.00 0.00 O +ATOM 19410 H1 WAT 6114 3.158 60.180 58.636 1.00 0.00 H +ATOM 19411 H2 WAT 6114 4.151 59.054 58.830 1.00 0.00 H +TER +ATOM 19412 O WAT 6115 7.898 56.437 59.635 1.00 0.00 O +ATOM 19413 H1 WAT 6115 7.775 56.455 58.686 1.00 0.00 H +ATOM 19414 H2 WAT 6115 8.847 56.484 59.754 1.00 0.00 H +TER +ATOM 19415 O WAT 6116 10.991 62.591 60.483 1.00 0.00 O +ATOM 19416 H1 WAT 6116 10.050 62.606 60.658 1.00 0.00 H +ATOM 19417 H2 WAT 6116 11.305 61.805 60.929 1.00 0.00 H +TER +ATOM 19418 O WAT 6117 4.093 66.249 53.517 1.00 0.00 O +ATOM 19419 H1 WAT 6117 3.988 65.634 54.243 1.00 0.00 H +ATOM 19420 H2 WAT 6117 3.926 65.725 52.734 1.00 0.00 H +TER +ATOM 19421 O WAT 6118 7.334 65.311 54.121 1.00 0.00 O +ATOM 19422 H1 WAT 6118 6.785 65.758 54.766 1.00 0.00 H +ATOM 19423 H2 WAT 6118 7.956 64.806 54.645 1.00 0.00 H +TER +ATOM 19424 O WAT 6119 3.001 64.270 56.018 1.00 0.00 O +ATOM 19425 H1 WAT 6119 3.423 64.104 56.861 1.00 0.00 H +ATOM 19426 H2 WAT 6119 3.126 63.460 55.523 1.00 0.00 H +TER +ATOM 19427 O WAT 6120 5.514 63.294 53.266 1.00 0.00 O +ATOM 19428 H1 WAT 6120 6.034 62.578 52.900 1.00 0.00 H +ATOM 19429 H2 WAT 6120 6.161 63.932 53.566 1.00 0.00 H +TER +ATOM 19430 O WAT 6121 9.376 55.154 55.492 1.00 0.00 O +ATOM 19431 H1 WAT 6121 9.656 54.311 55.848 1.00 0.00 H +ATOM 19432 H2 WAT 6121 8.602 55.386 56.006 1.00 0.00 H +TER +ATOM 19433 O WAT 6122 3.914 56.387 53.937 1.00 0.00 O +ATOM 19434 H1 WAT 6122 3.566 55.709 53.357 1.00 0.00 H +ATOM 19435 H2 WAT 6122 4.115 55.926 54.752 1.00 0.00 H +TER +ATOM 19436 O WAT 6123 13.754 64.392 56.103 1.00 0.00 O +ATOM 19437 H1 WAT 6123 14.516 64.961 56.209 1.00 0.00 H +ATOM 19438 H2 WAT 6123 13.769 63.824 56.874 1.00 0.00 H +TER +ATOM 19439 O WAT 6124 14.760 65.247 60.947 1.00 0.00 O +ATOM 19440 H1 WAT 6124 15.131 64.463 60.541 1.00 0.00 H +ATOM 19441 H2 WAT 6124 15.400 65.935 60.769 1.00 0.00 H +TER +ATOM 19442 O WAT 6125 13.806 64.685 53.260 1.00 0.00 O +ATOM 19443 H1 WAT 6125 14.081 65.593 53.132 1.00 0.00 H +ATOM 19444 H2 WAT 6125 13.617 64.621 54.196 1.00 0.00 H +TER +ATOM 19445 O WAT 6126 10.203 57.709 54.555 1.00 0.00 O +ATOM 19446 H1 WAT 6126 10.622 57.523 53.715 1.00 0.00 H +ATOM 19447 H2 WAT 6126 9.897 56.857 54.866 1.00 0.00 H +TER +ATOM 19448 O WAT 6127 13.702 62.622 58.253 1.00 0.00 O +ATOM 19449 H1 WAT 6127 13.327 61.855 57.821 1.00 0.00 H +ATOM 19450 H2 WAT 6127 12.973 63.004 58.741 1.00 0.00 H +TER +ATOM 19451 O WAT 6128 12.977 60.848 61.554 1.00 0.00 O +ATOM 19452 H1 WAT 6128 13.501 60.354 60.923 1.00 0.00 H +ATOM 19453 H2 WAT 6128 13.563 60.983 62.299 1.00 0.00 H +TER +ATOM 19454 O WAT 6129 13.156 60.932 65.076 1.00 0.00 O +ATOM 19455 H1 WAT 6129 12.207 60.898 65.190 1.00 0.00 H +ATOM 19456 H2 WAT 6129 13.338 61.842 64.841 1.00 0.00 H +TER +ATOM 19457 O WAT 6130 12.467 60.105 57.493 1.00 0.00 O +ATOM 19458 H1 WAT 6130 12.963 59.872 58.278 1.00 0.00 H +ATOM 19459 H2 WAT 6130 12.269 59.266 57.077 1.00 0.00 H +TER +ATOM 19460 O WAT 6131 13.896 58.741 60.027 1.00 0.00 O +ATOM 19461 H1 WAT 6131 13.786 58.587 60.965 1.00 0.00 H +ATOM 19462 H2 WAT 6131 14.657 58.213 59.784 1.00 0.00 H +TER +ATOM 19463 O WAT 6132 14.785 56.572 53.267 1.00 0.00 O +ATOM 19464 H1 WAT 6132 15.710 56.440 53.059 1.00 0.00 H +ATOM 19465 H2 WAT 6132 14.763 56.651 54.221 1.00 0.00 H +TER +ATOM 19466 O WAT 6133 14.859 57.343 55.893 1.00 0.00 O +ATOM 19467 H1 WAT 6133 14.064 57.277 56.422 1.00 0.00 H +ATOM 19468 H2 WAT 6133 15.063 58.278 55.882 1.00 0.00 H +TER +ATOM 19469 O WAT 6134 6.739 54.970 64.298 1.00 0.00 O +ATOM 19470 H1 WAT 6134 5.956 55.445 64.578 1.00 0.00 H +ATOM 19471 H2 WAT 6134 6.445 54.066 64.189 1.00 0.00 H +TER +ATOM 19472 O WAT 6135 11.291 55.673 62.343 1.00 0.00 O +ATOM 19473 H1 WAT 6135 11.732 55.617 61.495 1.00 0.00 H +ATOM 19474 H2 WAT 6135 11.022 56.588 62.414 1.00 0.00 H +TER +ATOM 19475 O WAT 6136 13.155 55.304 60.354 1.00 0.00 O +ATOM 19476 H1 WAT 6136 13.094 54.360 60.207 1.00 0.00 H +ATOM 19477 H2 WAT 6136 13.934 55.412 60.899 1.00 0.00 H +TER +ATOM 19478 O WAT 6137 4.624 57.389 59.810 1.00 0.00 O +ATOM 19479 H1 WAT 6137 3.812 57.015 59.469 1.00 0.00 H +ATOM 19480 H2 WAT 6137 5.129 56.633 60.112 1.00 0.00 H +TER +ATOM 19481 O WAT 6138 9.127 54.053 61.048 1.00 0.00 O +ATOM 19482 H1 WAT 6138 9.730 54.625 61.523 1.00 0.00 H +ATOM 19483 H2 WAT 6138 8.386 54.617 60.825 1.00 0.00 H +TER +ATOM 19484 O WAT 6139 12.270 54.455 56.322 1.00 0.00 O +ATOM 19485 H1 WAT 6139 12.465 55.354 56.589 1.00 0.00 H +ATOM 19486 H2 WAT 6139 11.483 54.224 56.815 1.00 0.00 H +TER +ATOM 19487 O WAT 6140 2.649 55.539 58.414 1.00 0.00 O +ATOM 19488 H1 WAT 6140 2.020 54.838 58.581 1.00 0.00 H +ATOM 19489 H2 WAT 6140 2.110 56.299 58.197 1.00 0.00 H +TER +ATOM 19490 O WAT 6141 8.282 62.252 41.791 1.00 0.00 O +ATOM 19491 H1 WAT 6141 8.202 61.337 41.520 1.00 0.00 H +ATOM 19492 H2 WAT 6141 7.869 62.749 41.085 1.00 0.00 H +TER +ATOM 19493 O WAT 6142 6.414 64.030 43.672 1.00 0.00 O +ATOM 19494 H1 WAT 6142 5.638 63.550 43.962 1.00 0.00 H +ATOM 19495 H2 WAT 6142 7.065 63.350 43.497 1.00 0.00 H +TER +ATOM 19496 O WAT 6143 5.855 66.706 43.679 1.00 0.00 O +ATOM 19497 H1 WAT 6143 5.786 65.765 43.518 1.00 0.00 H +ATOM 19498 H2 WAT 6143 6.617 66.796 44.251 1.00 0.00 H +TER +ATOM 19499 O WAT 6144 6.885 59.513 43.906 1.00 0.00 O +ATOM 19500 H1 WAT 6144 7.262 58.640 43.793 1.00 0.00 H +ATOM 19501 H2 WAT 6144 6.787 59.849 43.015 1.00 0.00 H +TER +ATOM 19502 O WAT 6145 10.668 57.008 40.839 1.00 0.00 O +ATOM 19503 H1 WAT 6145 11.489 56.517 40.881 1.00 0.00 H +ATOM 19504 H2 WAT 6145 10.701 57.597 41.592 1.00 0.00 H +TER +ATOM 19505 O WAT 6146 2.857 60.854 43.700 1.00 0.00 O +ATOM 19506 H1 WAT 6146 3.365 61.352 44.341 1.00 0.00 H +ATOM 19507 H2 WAT 6146 3.388 60.077 43.524 1.00 0.00 H +TER +ATOM 19508 O WAT 6147 14.958 59.024 47.403 1.00 0.00 O +ATOM 19509 H1 WAT 6147 14.253 59.413 46.884 1.00 0.00 H +ATOM 19510 H2 WAT 6147 15.224 59.719 48.005 1.00 0.00 H +TER +ATOM 19511 O WAT 6148 7.527 65.606 39.465 1.00 0.00 O +ATOM 19512 H1 WAT 6148 6.909 66.071 38.902 1.00 0.00 H +ATOM 19513 H2 WAT 6148 8.040 66.298 39.882 1.00 0.00 H +TER +ATOM 19514 O WAT 6149 2.391 65.133 46.144 1.00 0.00 O +ATOM 19515 H1 WAT 6149 2.058 65.760 46.786 1.00 0.00 H +ATOM 19516 H2 WAT 6149 2.567 65.659 45.364 1.00 0.00 H +TER +ATOM 19517 O WAT 6150 10.904 58.948 43.611 1.00 0.00 O +ATOM 19518 H1 WAT 6150 10.200 59.236 44.192 1.00 0.00 H +ATOM 19519 H2 WAT 6150 11.265 59.758 43.251 1.00 0.00 H +TER +ATOM 19520 O WAT 6151 13.973 58.393 44.002 1.00 0.00 O +ATOM 19521 H1 WAT 6151 13.025 58.427 44.134 1.00 0.00 H +ATOM 19522 H2 WAT 6151 14.298 59.207 44.387 1.00 0.00 H +TER +ATOM 19523 O WAT 6152 4.505 54.693 42.298 1.00 0.00 O +ATOM 19524 H1 WAT 6152 4.812 54.138 41.581 1.00 0.00 H +ATOM 19525 H2 WAT 6152 3.575 54.827 42.115 1.00 0.00 H +TER +ATOM 19526 O WAT 6153 11.351 67.131 39.678 1.00 0.00 O +ATOM 19527 H1 WAT 6153 11.240 66.189 39.803 1.00 0.00 H +ATOM 19528 H2 WAT 6153 11.347 67.493 40.564 1.00 0.00 H +TER +ATOM 19529 O WAT 6154 9.455 65.313 45.917 1.00 0.00 O +ATOM 19530 H1 WAT 6154 9.872 65.099 45.082 1.00 0.00 H +ATOM 19531 H2 WAT 6154 10.179 65.570 46.488 1.00 0.00 H +TER +ATOM 19532 O WAT 6155 6.893 62.758 39.034 1.00 0.00 O +ATOM 19533 H1 WAT 6155 5.966 62.692 39.263 1.00 0.00 H +ATOM 19534 H2 WAT 6155 7.045 63.696 38.919 1.00 0.00 H +TER +ATOM 19535 O WAT 6156 6.880 59.030 36.031 1.00 0.00 O +ATOM 19536 H1 WAT 6156 5.940 59.191 36.116 1.00 0.00 H +ATOM 19537 H2 WAT 6156 7.198 59.748 35.484 1.00 0.00 H +TER +ATOM 19538 O WAT 6157 13.401 63.711 46.008 1.00 0.00 O +ATOM 19539 H1 WAT 6157 12.573 63.781 45.534 1.00 0.00 H +ATOM 19540 H2 WAT 6157 13.996 64.297 45.540 1.00 0.00 H +TER +ATOM 19541 O WAT 6158 10.922 64.320 39.537 1.00 0.00 O +ATOM 19542 H1 WAT 6158 10.304 63.982 38.890 1.00 0.00 H +ATOM 19543 H2 WAT 6158 10.905 63.676 40.245 1.00 0.00 H +TER +ATOM 19544 O WAT 6159 10.365 60.498 46.954 1.00 0.00 O +ATOM 19545 H1 WAT 6159 9.952 61.324 47.208 1.00 0.00 H +ATOM 19546 H2 WAT 6159 9.633 59.913 46.762 1.00 0.00 H +TER +ATOM 19547 O WAT 6160 2.498 63.284 41.816 1.00 0.00 O +ATOM 19548 H1 WAT 6160 2.094 62.572 41.320 1.00 0.00 H +ATOM 19549 H2 WAT 6160 2.585 62.940 42.705 1.00 0.00 H +TER +ATOM 19550 O WAT 6161 2.967 66.971 43.980 1.00 0.00 O +ATOM 19551 H1 WAT 6161 2.669 66.366 43.301 1.00 0.00 H +ATOM 19552 H2 WAT 6161 3.917 67.009 43.869 1.00 0.00 H +TER +ATOM 19553 O WAT 6162 9.099 63.559 36.545 1.00 0.00 O +ATOM 19554 H1 WAT 6162 9.538 62.721 36.398 1.00 0.00 H +ATOM 19555 H2 WAT 6162 9.812 64.191 36.631 1.00 0.00 H +TER +ATOM 19556 O WAT 6163 12.681 54.813 34.859 1.00 0.00 O +ATOM 19557 H1 WAT 6163 12.368 54.905 35.759 1.00 0.00 H +ATOM 19558 H2 WAT 6163 13.442 55.391 34.809 1.00 0.00 H +TER +ATOM 19559 O WAT 6164 14.038 67.497 49.871 1.00 0.00 O +ATOM 19560 H1 WAT 6164 14.165 67.258 48.953 1.00 0.00 H +ATOM 19561 H2 WAT 6164 14.080 66.665 50.343 1.00 0.00 H +TER +ATOM 19562 O WAT 6165 13.891 59.550 50.836 1.00 0.00 O +ATOM 19563 H1 WAT 6165 13.275 60.058 50.308 1.00 0.00 H +ATOM 19564 H2 WAT 6165 13.570 58.650 50.779 1.00 0.00 H +TER +ATOM 19565 O WAT 6166 5.952 58.389 48.302 1.00 0.00 O +ATOM 19566 H1 WAT 6166 5.490 58.597 49.114 1.00 0.00 H +ATOM 19567 H2 WAT 6166 5.550 57.575 47.999 1.00 0.00 H +TER +ATOM 19568 O WAT 6167 10.953 59.610 49.432 1.00 0.00 O +ATOM 19569 H1 WAT 6167 10.102 59.311 49.753 1.00 0.00 H +ATOM 19570 H2 WAT 6167 10.793 59.854 48.520 1.00 0.00 H +TER +ATOM 19571 O WAT 6168 8.048 61.110 51.532 1.00 0.00 O +ATOM 19572 H1 WAT 6168 8.373 60.277 51.192 1.00 0.00 H +ATOM 19573 H2 WAT 6168 8.836 61.633 51.680 1.00 0.00 H +TER +ATOM 19574 O WAT 6169 4.781 55.143 37.579 1.00 0.00 O +ATOM 19575 H1 WAT 6169 4.156 55.139 38.305 1.00 0.00 H +ATOM 19576 H2 WAT 6169 4.694 54.276 37.183 1.00 0.00 H +TER +ATOM 19577 O WAT 6170 3.703 56.067 44.558 1.00 0.00 O +ATOM 19578 H1 WAT 6170 4.000 56.973 44.477 1.00 0.00 H +ATOM 19579 H2 WAT 6170 4.251 55.579 43.944 1.00 0.00 H +TER +ATOM 19580 O WAT 6171 8.686 60.652 39.026 1.00 0.00 O +ATOM 19581 H1 WAT 6171 8.087 61.376 38.842 1.00 0.00 H +ATOM 19582 H2 WAT 6171 9.234 60.590 38.244 1.00 0.00 H +TER +ATOM 19583 O WAT 6172 3.897 61.544 51.093 1.00 0.00 O +ATOM 19584 H1 WAT 6172 3.801 60.604 50.943 1.00 0.00 H +ATOM 19585 H2 WAT 6172 4.740 61.766 50.698 1.00 0.00 H +TER +ATOM 19586 O WAT 6173 7.293 59.288 41.056 1.00 0.00 O +ATOM 19587 H1 WAT 6173 7.686 59.606 40.243 1.00 0.00 H +ATOM 19588 H2 WAT 6173 7.655 58.410 41.171 1.00 0.00 H +TER +ATOM 19589 O WAT 6174 5.602 58.039 52.316 1.00 0.00 O +ATOM 19590 H1 WAT 6174 4.912 57.846 52.951 1.00 0.00 H +ATOM 19591 H2 WAT 6174 6.345 58.323 52.849 1.00 0.00 H +TER +ATOM 19592 O WAT 6175 7.878 61.879 45.151 1.00 0.00 O +ATOM 19593 H1 WAT 6175 7.147 62.388 45.500 1.00 0.00 H +ATOM 19594 H2 WAT 6175 7.481 61.062 44.850 1.00 0.00 H +TER +ATOM 19595 O WAT 6176 4.316 58.554 43.557 1.00 0.00 O +ATOM 19596 H1 WAT 6176 4.320 58.113 42.707 1.00 0.00 H +ATOM 19597 H2 WAT 6176 5.211 58.876 43.664 1.00 0.00 H +TER +ATOM 19598 O WAT 6177 4.378 59.556 36.547 1.00 0.00 O +ATOM 19599 H1 WAT 6177 4.499 59.514 37.496 1.00 0.00 H +ATOM 19600 H2 WAT 6177 3.993 60.418 36.392 1.00 0.00 H +TER +ATOM 19601 O WAT 6178 8.341 57.332 44.564 1.00 0.00 O +ATOM 19602 H1 WAT 6178 8.358 57.783 45.408 1.00 0.00 H +ATOM 19603 H2 WAT 6178 8.093 56.433 44.777 1.00 0.00 H +TER +ATOM 19604 O WAT 6179 3.390 61.866 35.946 1.00 0.00 O +ATOM 19605 H1 WAT 6179 2.822 61.417 35.319 1.00 0.00 H +ATOM 19606 H2 WAT 6179 4.099 62.225 35.412 1.00 0.00 H +TER +ATOM 19607 O WAT 6180 11.768 54.745 50.402 1.00 0.00 O +ATOM 19608 H1 WAT 6180 12.093 54.014 50.928 1.00 0.00 H +ATOM 19609 H2 WAT 6180 11.804 54.427 49.501 1.00 0.00 H +TER +ATOM 19610 O WAT 6181 4.617 62.615 45.303 1.00 0.00 O +ATOM 19611 H1 WAT 6181 4.984 62.140 46.049 1.00 0.00 H +ATOM 19612 H2 WAT 6181 4.427 63.489 45.644 1.00 0.00 H +TER +ATOM 19613 O WAT 6182 2.407 61.655 47.622 1.00 0.00 O +ATOM 19614 H1 WAT 6182 2.103 62.535 47.847 1.00 0.00 H +ATOM 19615 H2 WAT 6182 3.362 61.715 47.657 1.00 0.00 H +TER +ATOM 19616 O WAT 6183 11.694 64.858 44.011 1.00 0.00 O +ATOM 19617 H1 WAT 6183 12.414 65.354 43.621 1.00 0.00 H +ATOM 19618 H2 WAT 6183 11.492 64.180 43.366 1.00 0.00 H +TER +ATOM 19619 O WAT 6184 7.155 56.252 38.154 1.00 0.00 O +ATOM 19620 H1 WAT 6184 6.341 55.753 38.078 1.00 0.00 H +ATOM 19621 H2 WAT 6184 6.961 57.092 37.738 1.00 0.00 H +TER +ATOM 19622 O WAT 6185 7.076 64.929 49.898 1.00 0.00 O +ATOM 19623 H1 WAT 6185 7.009 64.008 49.644 1.00 0.00 H +ATOM 19624 H2 WAT 6185 6.446 65.026 50.612 1.00 0.00 H +TER +ATOM 19625 O WAT 6186 9.870 60.624 36.450 1.00 0.00 O +ATOM 19626 H1 WAT 6186 10.758 60.935 36.275 1.00 0.00 H +ATOM 19627 H2 WAT 6186 9.840 59.751 36.058 1.00 0.00 H +TER +ATOM 19628 O WAT 6187 5.866 66.796 37.129 1.00 0.00 O +ATOM 19629 H1 WAT 6187 6.207 67.540 36.633 1.00 0.00 H +ATOM 19630 H2 WAT 6187 5.037 67.109 37.491 1.00 0.00 H +TER +ATOM 19631 O WAT 6188 7.007 67.751 49.648 1.00 0.00 O +ATOM 19632 H1 WAT 6188 7.022 66.819 49.430 1.00 0.00 H +ATOM 19633 H2 WAT 6188 6.300 67.837 50.287 1.00 0.00 H +TER +ATOM 19634 O WAT 6189 12.141 61.935 35.918 1.00 0.00 O +ATOM 19635 H1 WAT 6189 12.057 62.366 35.068 1.00 0.00 H +ATOM 19636 H2 WAT 6189 12.861 62.395 36.351 1.00 0.00 H +TER +ATOM 19637 O WAT 6190 13.219 64.392 48.995 1.00 0.00 O +ATOM 19638 H1 WAT 6190 12.493 64.985 48.798 1.00 0.00 H +ATOM 19639 H2 WAT 6190 13.746 64.384 48.196 1.00 0.00 H +TER +ATOM 19640 O WAT 6191 8.748 66.118 42.494 1.00 0.00 O +ATOM 19641 H1 WAT 6191 9.101 65.521 41.834 1.00 0.00 H +ATOM 19642 H2 WAT 6191 7.865 65.792 42.664 1.00 0.00 H +TER +ATOM 19643 O WAT 6192 4.835 66.877 39.901 1.00 0.00 O +ATOM 19644 H1 WAT 6192 5.522 67.424 40.281 1.00 0.00 H +ATOM 19645 H2 WAT 6192 4.048 67.422 39.936 1.00 0.00 H +TER +ATOM 19646 O WAT 6193 4.138 63.882 39.513 1.00 0.00 O +ATOM 19647 H1 WAT 6193 4.594 64.693 39.739 1.00 0.00 H +ATOM 19648 H2 WAT 6193 3.786 63.564 40.345 1.00 0.00 H +TER +ATOM 19649 O WAT 6194 11.560 67.681 35.184 1.00 0.00 O +ATOM 19650 H1 WAT 6194 11.333 66.964 35.776 1.00 0.00 H +ATOM 19651 H2 WAT 6194 11.169 67.432 34.346 1.00 0.00 H +TER +ATOM 19652 O WAT 6195 11.141 65.598 36.845 1.00 0.00 O +ATOM 19653 H1 WAT 6195 10.853 66.059 37.633 1.00 0.00 H +ATOM 19654 H2 WAT 6195 11.936 65.138 37.114 1.00 0.00 H +TER +ATOM 19655 O WAT 6196 8.532 58.477 47.196 1.00 0.00 O +ATOM 19656 H1 WAT 6196 8.900 57.657 47.524 1.00 0.00 H +ATOM 19657 H2 WAT 6196 7.672 58.537 47.612 1.00 0.00 H +TER +ATOM 19658 O WAT 6197 11.898 57.433 38.005 1.00 0.00 O +ATOM 19659 H1 WAT 6197 11.269 57.537 37.291 1.00 0.00 H +ATOM 19660 H2 WAT 6197 11.403 57.653 38.794 1.00 0.00 H +TER +ATOM 19661 O WAT 6198 3.867 59.711 39.421 1.00 0.00 O +ATOM 19662 H1 WAT 6198 3.158 60.180 39.862 1.00 0.00 H +ATOM 19663 H2 WAT 6198 4.151 59.054 40.055 1.00 0.00 H +TER +ATOM 19664 O WAT 6199 5.492 61.131 47.420 1.00 0.00 O +ATOM 19665 H1 WAT 6199 5.991 61.606 48.085 1.00 0.00 H +ATOM 19666 H2 WAT 6199 5.634 60.208 47.627 1.00 0.00 H +TER +ATOM 19667 O WAT 6200 7.898 56.437 40.860 1.00 0.00 O +ATOM 19668 H1 WAT 6200 7.775 56.455 39.911 1.00 0.00 H +ATOM 19669 H2 WAT 6200 8.847 56.484 40.980 1.00 0.00 H +TER +ATOM 19670 O WAT 6201 12.699 57.348 48.263 1.00 0.00 O +ATOM 19671 H1 WAT 6201 12.196 58.088 48.602 1.00 0.00 H +ATOM 19672 H2 WAT 6201 13.515 57.736 47.946 1.00 0.00 H +TER +ATOM 19673 O WAT 6202 10.991 62.591 41.709 1.00 0.00 O +ATOM 19674 H1 WAT 6202 10.050 62.606 41.884 1.00 0.00 H +ATOM 19675 H2 WAT 6202 11.305 61.805 42.155 1.00 0.00 H +TER +ATOM 19676 O WAT 6203 8.308 67.148 52.192 1.00 0.00 O +ATOM 19677 H1 WAT 6203 7.701 67.171 51.452 1.00 0.00 H +ATOM 19678 H2 WAT 6203 8.003 66.416 52.729 1.00 0.00 H +TER +ATOM 19679 O WAT 6204 4.093 66.249 34.743 1.00 0.00 O +ATOM 19680 H1 WAT 6204 3.988 65.634 35.469 1.00 0.00 H +ATOM 19681 H2 WAT 6204 3.926 65.725 33.959 1.00 0.00 H +TER +ATOM 19682 O WAT 6205 4.245 64.934 50.722 1.00 0.00 O +ATOM 19683 H1 WAT 6205 3.479 65.503 50.637 1.00 0.00 H +ATOM 19684 H2 WAT 6205 4.426 64.642 49.829 1.00 0.00 H +TER +ATOM 19685 O WAT 6206 7.334 65.311 35.347 1.00 0.00 O +ATOM 19686 H1 WAT 6206 6.785 65.758 35.991 1.00 0.00 H +ATOM 19687 H2 WAT 6206 7.956 64.806 35.871 1.00 0.00 H +TER +ATOM 19688 O WAT 6207 11.387 66.665 51.279 1.00 0.00 O +ATOM 19689 H1 WAT 6207 12.128 67.002 50.776 1.00 0.00 H +ATOM 19690 H2 WAT 6207 10.624 66.834 50.726 1.00 0.00 H +TER +ATOM 19691 O WAT 6208 3.001 64.270 37.244 1.00 0.00 O +ATOM 19692 H1 WAT 6208 3.423 64.104 38.087 1.00 0.00 H +ATOM 19693 H2 WAT 6208 3.126 63.460 36.749 1.00 0.00 H +TER +ATOM 19694 O WAT 6209 5.514 63.294 34.491 1.00 0.00 O +ATOM 19695 H1 WAT 6209 6.034 62.578 34.125 1.00 0.00 H +ATOM 19696 H2 WAT 6209 6.161 63.932 34.791 1.00 0.00 H +TER +ATOM 19697 O WAT 6210 10.062 64.716 49.815 1.00 0.00 O +ATOM 19698 H1 WAT 6210 10.476 64.871 50.664 1.00 0.00 H +ATOM 19699 H2 WAT 6210 9.127 64.842 49.977 1.00 0.00 H +TER +ATOM 19700 O WAT 6211 10.534 62.056 51.819 1.00 0.00 O +ATOM 19701 H1 WAT 6211 11.116 61.301 51.731 1.00 0.00 H +ATOM 19702 H2 WAT 6211 10.710 62.587 51.042 1.00 0.00 H +TER +ATOM 19703 O WAT 6212 4.417 55.773 47.163 1.00 0.00 O +ATOM 19704 H1 WAT 6212 3.969 55.795 46.318 1.00 0.00 H +ATOM 19705 H2 WAT 6212 3.784 55.375 47.760 1.00 0.00 H +TER +ATOM 19706 O WAT 6213 4.823 64.668 47.784 1.00 0.00 O +ATOM 19707 H1 WAT 6213 5.242 65.512 47.612 1.00 0.00 H +ATOM 19708 H2 WAT 6213 3.904 64.806 47.555 1.00 0.00 H +TER +ATOM 19709 O WAT 6214 7.160 62.400 49.168 1.00 0.00 O +ATOM 19710 H1 WAT 6214 7.279 61.804 49.908 1.00 0.00 H +ATOM 19711 H2 WAT 6214 8.019 62.437 48.748 1.00 0.00 H +TER +ATOM 19712 O WAT 6215 9.498 62.954 47.744 1.00 0.00 O +ATOM 19713 H1 WAT 6215 8.972 63.478 47.141 1.00 0.00 H +ATOM 19714 H2 WAT 6215 9.842 63.586 48.375 1.00 0.00 H +TER +ATOM 19715 O WAT 6216 3.926 58.942 50.426 1.00 0.00 O +ATOM 19716 H1 WAT 6216 4.516 58.634 51.114 1.00 0.00 H +ATOM 19717 H2 WAT 6216 3.108 58.470 50.582 1.00 0.00 H +TER +ATOM 19718 O WAT 6217 8.746 58.559 50.659 1.00 0.00 O +ATOM 19719 H1 WAT 6217 8.057 57.897 50.594 1.00 0.00 H +ATOM 19720 H2 WAT 6217 9.466 58.113 51.104 1.00 0.00 H +TER +ATOM 19721 O WAT 6218 9.376 55.154 36.718 1.00 0.00 O +ATOM 19722 H1 WAT 6218 9.656 54.311 37.074 1.00 0.00 H +ATOM 19723 H2 WAT 6218 8.602 55.386 37.232 1.00 0.00 H +TER +ATOM 19724 O WAT 6219 3.914 56.387 35.163 1.00 0.00 O +ATOM 19725 H1 WAT 6219 3.566 55.709 34.583 1.00 0.00 H +ATOM 19726 H2 WAT 6219 4.115 55.926 35.977 1.00 0.00 H +TER +ATOM 19727 O WAT 6220 13.754 64.392 37.328 1.00 0.00 O +ATOM 19728 H1 WAT 6220 14.516 64.961 37.434 1.00 0.00 H +ATOM 19729 H2 WAT 6220 13.769 63.824 38.099 1.00 0.00 H +TER +ATOM 19730 O WAT 6221 14.760 65.247 42.173 1.00 0.00 O +ATOM 19731 H1 WAT 6221 15.131 64.463 41.766 1.00 0.00 H +ATOM 19732 H2 WAT 6221 15.400 65.935 41.994 1.00 0.00 H +TER +ATOM 19733 O WAT 6222 11.743 66.630 47.586 1.00 0.00 O +ATOM 19734 H1 WAT 6222 10.929 67.060 47.848 1.00 0.00 H +ATOM 19735 H2 WAT 6222 12.151 67.242 46.973 1.00 0.00 H +TER +ATOM 19736 O WAT 6223 13.806 64.685 34.486 1.00 0.00 O +ATOM 19737 H1 WAT 6223 14.081 65.593 34.358 1.00 0.00 H +ATOM 19738 H2 WAT 6223 13.617 64.621 35.422 1.00 0.00 H +TER +ATOM 19739 O WAT 6224 10.203 57.709 35.781 1.00 0.00 O +ATOM 19740 H1 WAT 6224 10.622 57.523 34.941 1.00 0.00 H +ATOM 19741 H2 WAT 6224 9.897 56.857 36.091 1.00 0.00 H +TER +ATOM 19742 O WAT 6225 13.702 62.622 39.479 1.00 0.00 O +ATOM 19743 H1 WAT 6225 13.327 61.855 39.047 1.00 0.00 H +ATOM 19744 H2 WAT 6225 12.973 63.004 39.966 1.00 0.00 H +TER +ATOM 19745 O WAT 6226 13.092 61.769 49.113 1.00 0.00 O +ATOM 19746 H1 WAT 6226 12.861 61.540 48.212 1.00 0.00 H +ATOM 19747 H2 WAT 6226 13.353 62.689 49.067 1.00 0.00 H +TER +ATOM 19748 O WAT 6227 11.531 56.995 51.891 1.00 0.00 O +ATOM 19749 H1 WAT 6227 12.408 57.003 52.274 1.00 0.00 H +ATOM 19750 H2 WAT 6227 11.543 56.258 51.280 1.00 0.00 H +TER +ATOM 19751 O WAT 6228 12.977 60.848 42.779 1.00 0.00 O +ATOM 19752 H1 WAT 6228 13.501 60.354 42.148 1.00 0.00 H +ATOM 19753 H2 WAT 6228 13.563 60.983 43.524 1.00 0.00 H +TER +ATOM 19754 O WAT 6229 13.156 60.932 46.301 1.00 0.00 O +ATOM 19755 H1 WAT 6229 12.207 60.898 46.416 1.00 0.00 H +ATOM 19756 H2 WAT 6229 13.338 61.842 46.066 1.00 0.00 H +TER +ATOM 19757 O WAT 6230 12.467 60.105 38.719 1.00 0.00 O +ATOM 19758 H1 WAT 6230 12.963 59.872 39.504 1.00 0.00 H +ATOM 19759 H2 WAT 6230 12.269 59.266 38.302 1.00 0.00 H +TER +ATOM 19760 O WAT 6231 13.896 58.741 41.252 1.00 0.00 O +ATOM 19761 H1 WAT 6231 13.786 58.587 42.191 1.00 0.00 H +ATOM 19762 H2 WAT 6231 14.657 58.213 41.010 1.00 0.00 H +TER +ATOM 19763 O WAT 6232 12.243 54.680 47.711 1.00 0.00 O +ATOM 19764 H1 WAT 6232 12.880 55.294 48.077 1.00 0.00 H +ATOM 19765 H2 WAT 6232 12.390 54.717 46.766 1.00 0.00 H +TER +ATOM 19766 O WAT 6233 14.785 56.572 34.493 1.00 0.00 O +ATOM 19767 H1 WAT 6233 15.710 56.440 34.285 1.00 0.00 H +ATOM 19768 H2 WAT 6233 14.763 56.651 35.447 1.00 0.00 H +TER +ATOM 19769 O WAT 6234 14.859 57.343 37.119 1.00 0.00 O +ATOM 19770 H1 WAT 6234 14.064 57.277 37.648 1.00 0.00 H +ATOM 19771 H2 WAT 6234 15.063 58.278 37.107 1.00 0.00 H +TER +ATOM 19772 O WAT 6235 5.613 55.833 50.618 1.00 0.00 O +ATOM 19773 H1 WAT 6235 5.552 56.425 51.368 1.00 0.00 H +ATOM 19774 H2 WAT 6235 6.553 55.726 50.473 1.00 0.00 H +TER +ATOM 19775 O WAT 6236 8.251 55.490 50.257 1.00 0.00 O +ATOM 19776 H1 WAT 6236 8.865 55.808 49.596 1.00 0.00 H +ATOM 19777 H2 WAT 6236 8.796 55.005 50.877 1.00 0.00 H +TER +ATOM 19778 O WAT 6237 8.991 54.053 46.584 1.00 0.00 O +ATOM 19779 H1 WAT 6237 8.117 54.387 46.382 1.00 0.00 H +ATOM 19780 H2 WAT 6237 8.883 53.581 47.410 1.00 0.00 H +TER +ATOM 19781 O WAT 6238 9.899 56.260 47.969 1.00 0.00 O +ATOM 19782 H1 WAT 6238 9.570 55.446 47.589 1.00 0.00 H +ATOM 19783 H2 WAT 6238 10.847 56.217 47.845 1.00 0.00 H +TER +ATOM 19784 O WAT 6239 6.739 54.970 45.524 1.00 0.00 O +ATOM 19785 H1 WAT 6239 5.956 55.445 45.803 1.00 0.00 H +ATOM 19786 H2 WAT 6239 6.445 54.066 45.415 1.00 0.00 H +TER +ATOM 19787 O WAT 6240 11.291 55.673 43.569 1.00 0.00 O +ATOM 19788 H1 WAT 6240 11.732 55.617 42.721 1.00 0.00 H +ATOM 19789 H2 WAT 6240 11.022 56.588 43.640 1.00 0.00 H +TER +ATOM 19790 O WAT 6241 13.155 55.304 41.579 1.00 0.00 O +ATOM 19791 H1 WAT 6241 13.094 54.360 41.433 1.00 0.00 H +ATOM 19792 H2 WAT 6241 13.934 55.412 42.125 1.00 0.00 H +TER +ATOM 19793 O WAT 6242 4.624 57.389 41.035 1.00 0.00 O +ATOM 19794 H1 WAT 6242 3.812 57.015 40.695 1.00 0.00 H +ATOM 19795 H2 WAT 6242 5.129 56.633 41.337 1.00 0.00 H +TER +ATOM 19796 O WAT 6243 9.127 54.053 42.274 1.00 0.00 O +ATOM 19797 H1 WAT 6243 9.730 54.625 42.748 1.00 0.00 H +ATOM 19798 H2 WAT 6243 8.386 54.617 42.051 1.00 0.00 H +TER +ATOM 19799 O WAT 6244 12.270 54.455 37.548 1.00 0.00 O +ATOM 19800 H1 WAT 6244 12.465 55.354 37.814 1.00 0.00 H +ATOM 19801 H2 WAT 6244 11.483 54.224 38.041 1.00 0.00 H +TER +ATOM 19802 O WAT 6245 2.649 55.539 39.640 1.00 0.00 O +ATOM 19803 H1 WAT 6245 2.020 54.838 39.807 1.00 0.00 H +ATOM 19804 H2 WAT 6245 2.110 56.299 39.423 1.00 0.00 H +TER +ATOM 19805 O WAT 6246 2.775 54.817 52.075 1.00 0.00 O +ATOM 19806 H1 WAT 6246 2.493 55.321 51.311 1.00 0.00 H +ATOM 19807 H2 WAT 6246 3.157 54.020 51.709 1.00 0.00 H +TER +ATOM 19808 O WAT 6247 9.376 54.233 52.653 1.00 0.00 O +ATOM 19809 H1 WAT 6247 9.263 54.552 53.548 1.00 0.00 H +ATOM 19810 H2 WAT 6247 10.193 54.634 52.357 1.00 0.00 H +TER +ATOM 19811 O WAT 6248 8.282 62.252 23.017 1.00 0.00 O +ATOM 19812 H1 WAT 6248 8.202 61.337 22.746 1.00 0.00 H +ATOM 19813 H2 WAT 6248 7.869 62.749 22.311 1.00 0.00 H +TER +ATOM 19814 O WAT 6249 6.414 64.030 24.897 1.00 0.00 O +ATOM 19815 H1 WAT 6249 5.638 63.550 25.187 1.00 0.00 H +ATOM 19816 H2 WAT 6249 7.065 63.350 24.723 1.00 0.00 H +TER +ATOM 19817 O WAT 6250 5.855 66.706 24.905 1.00 0.00 O +ATOM 19818 H1 WAT 6250 5.786 65.765 24.743 1.00 0.00 H +ATOM 19819 H2 WAT 6250 6.617 66.796 25.477 1.00 0.00 H +TER +ATOM 19820 O WAT 6251 6.885 59.513 25.131 1.00 0.00 O +ATOM 19821 H1 WAT 6251 7.262 58.640 25.019 1.00 0.00 H +ATOM 19822 H2 WAT 6251 6.787 59.849 24.240 1.00 0.00 H +TER +ATOM 19823 O WAT 6252 10.668 57.008 22.064 1.00 0.00 O +ATOM 19824 H1 WAT 6252 11.489 56.517 22.107 1.00 0.00 H +ATOM 19825 H2 WAT 6252 10.701 57.597 22.817 1.00 0.00 H +TER +ATOM 19826 O WAT 6253 2.857 60.854 24.926 1.00 0.00 O +ATOM 19827 H1 WAT 6253 3.365 61.352 25.566 1.00 0.00 H +ATOM 19828 H2 WAT 6253 3.388 60.077 24.750 1.00 0.00 H +TER +ATOM 19829 O WAT 6254 14.958 59.024 28.629 1.00 0.00 O +ATOM 19830 H1 WAT 6254 14.253 59.413 28.110 1.00 0.00 H +ATOM 19831 H2 WAT 6254 15.224 59.719 29.231 1.00 0.00 H +TER +ATOM 19832 O WAT 6255 7.527 65.606 20.691 1.00 0.00 O +ATOM 19833 H1 WAT 6255 6.909 66.071 20.127 1.00 0.00 H +ATOM 19834 H2 WAT 6255 8.040 66.298 21.108 1.00 0.00 H +TER +ATOM 19835 O WAT 6256 2.391 65.133 27.369 1.00 0.00 O +ATOM 19836 H1 WAT 6256 2.058 65.760 28.011 1.00 0.00 H +ATOM 19837 H2 WAT 6256 2.567 65.659 26.590 1.00 0.00 H +TER +ATOM 19838 O WAT 6257 10.904 58.948 24.837 1.00 0.00 O +ATOM 19839 H1 WAT 6257 10.200 59.236 25.417 1.00 0.00 H +ATOM 19840 H2 WAT 6257 11.265 59.758 24.477 1.00 0.00 H +TER +ATOM 19841 O WAT 6258 13.973 58.393 25.228 1.00 0.00 O +ATOM 19842 H1 WAT 6258 13.025 58.427 25.359 1.00 0.00 H +ATOM 19843 H2 WAT 6258 14.298 59.207 25.613 1.00 0.00 H +TER +ATOM 19844 O WAT 6259 4.505 54.693 23.524 1.00 0.00 O +ATOM 19845 H1 WAT 6259 4.812 54.138 22.807 1.00 0.00 H +ATOM 19846 H2 WAT 6259 3.575 54.827 23.341 1.00 0.00 H +TER +ATOM 19847 O WAT 6260 11.351 67.131 20.903 1.00 0.00 O +ATOM 19848 H1 WAT 6260 11.240 66.189 21.028 1.00 0.00 H +ATOM 19849 H2 WAT 6260 11.347 67.493 21.790 1.00 0.00 H +TER +ATOM 19850 O WAT 6261 9.455 65.313 27.143 1.00 0.00 O +ATOM 19851 H1 WAT 6261 9.872 65.099 26.308 1.00 0.00 H +ATOM 19852 H2 WAT 6261 10.179 65.570 27.713 1.00 0.00 H +TER +ATOM 19853 O WAT 6262 6.893 62.758 20.260 1.00 0.00 O +ATOM 19854 H1 WAT 6262 5.966 62.692 20.488 1.00 0.00 H +ATOM 19855 H2 WAT 6262 7.045 63.696 20.145 1.00 0.00 H +TER +ATOM 19856 O WAT 6263 6.880 59.030 17.256 1.00 0.00 O +ATOM 19857 H1 WAT 6263 5.940 59.191 17.341 1.00 0.00 H +ATOM 19858 H2 WAT 6263 7.198 59.748 16.710 1.00 0.00 H +TER +ATOM 19859 O WAT 6264 13.401 63.711 27.234 1.00 0.00 O +ATOM 19860 H1 WAT 6264 12.573 63.781 26.759 1.00 0.00 H +ATOM 19861 H2 WAT 6264 13.996 64.297 26.766 1.00 0.00 H +TER +ATOM 19862 O WAT 6265 10.922 64.320 20.763 1.00 0.00 O +ATOM 19863 H1 WAT 6265 10.304 63.982 20.116 1.00 0.00 H +ATOM 19864 H2 WAT 6265 10.905 63.676 21.471 1.00 0.00 H +TER +ATOM 19865 O WAT 6266 10.365 60.498 28.180 1.00 0.00 O +ATOM 19866 H1 WAT 6266 9.952 61.324 28.434 1.00 0.00 H +ATOM 19867 H2 WAT 6266 9.633 59.913 27.987 1.00 0.00 H +TER +ATOM 19868 O WAT 6267 2.498 63.284 23.041 1.00 0.00 O +ATOM 19869 H1 WAT 6267 2.094 62.572 22.546 1.00 0.00 H +ATOM 19870 H2 WAT 6267 2.585 62.940 23.930 1.00 0.00 H +TER +ATOM 19871 O WAT 6268 2.967 66.971 25.205 1.00 0.00 O +ATOM 19872 H1 WAT 6268 2.669 66.366 24.526 1.00 0.00 H +ATOM 19873 H2 WAT 6268 3.917 67.009 25.094 1.00 0.00 H +TER +ATOM 19874 O WAT 6269 9.099 63.559 17.770 1.00 0.00 O +ATOM 19875 H1 WAT 6269 9.538 62.721 17.624 1.00 0.00 H +ATOM 19876 H2 WAT 6269 9.812 64.191 17.857 1.00 0.00 H +TER +ATOM 19877 O WAT 6270 12.681 54.813 16.084 1.00 0.00 O +ATOM 19878 H1 WAT 6270 12.368 54.905 16.984 1.00 0.00 H +ATOM 19879 H2 WAT 6270 13.442 55.391 16.034 1.00 0.00 H +TER +ATOM 19880 O WAT 6271 14.038 67.497 31.097 1.00 0.00 O +ATOM 19881 H1 WAT 6271 14.165 67.258 30.179 1.00 0.00 H +ATOM 19882 H2 WAT 6271 14.080 66.665 31.569 1.00 0.00 H +TER +ATOM 19883 O WAT 6272 13.891 59.550 32.062 1.00 0.00 O +ATOM 19884 H1 WAT 6272 13.275 60.058 31.533 1.00 0.00 H +ATOM 19885 H2 WAT 6272 13.570 58.650 32.004 1.00 0.00 H +TER +ATOM 19886 O WAT 6273 5.952 58.389 29.528 1.00 0.00 O +ATOM 19887 H1 WAT 6273 5.490 58.597 30.340 1.00 0.00 H +ATOM 19888 H2 WAT 6273 5.550 57.575 29.225 1.00 0.00 H +TER +ATOM 19889 O WAT 6274 10.953 59.610 30.658 1.00 0.00 O +ATOM 19890 H1 WAT 6274 10.102 59.311 30.979 1.00 0.00 H +ATOM 19891 H2 WAT 6274 10.793 59.854 29.746 1.00 0.00 H +TER +ATOM 19892 O WAT 6275 8.048 61.110 32.758 1.00 0.00 O +ATOM 19893 H1 WAT 6275 8.373 60.277 32.418 1.00 0.00 H +ATOM 19894 H2 WAT 6275 8.836 61.633 32.905 1.00 0.00 H +TER +ATOM 19895 O WAT 6276 4.781 55.143 18.805 1.00 0.00 O +ATOM 19896 H1 WAT 6276 4.156 55.139 19.530 1.00 0.00 H +ATOM 19897 H2 WAT 6276 4.694 54.276 18.409 1.00 0.00 H +TER +ATOM 19898 O WAT 6277 3.703 56.067 25.783 1.00 0.00 O +ATOM 19899 H1 WAT 6277 4.000 56.973 25.703 1.00 0.00 H +ATOM 19900 H2 WAT 6277 4.251 55.579 25.169 1.00 0.00 H +TER +ATOM 19901 O WAT 6278 8.686 60.652 20.252 1.00 0.00 O +ATOM 19902 H1 WAT 6278 8.087 61.376 20.068 1.00 0.00 H +ATOM 19903 H2 WAT 6278 9.234 60.590 19.469 1.00 0.00 H +TER +ATOM 19904 O WAT 6279 3.897 61.544 32.319 1.00 0.00 O +ATOM 19905 H1 WAT 6279 3.801 60.604 32.169 1.00 0.00 H +ATOM 19906 H2 WAT 6279 4.740 61.766 31.923 1.00 0.00 H +TER +ATOM 19907 O WAT 6280 7.293 59.288 22.282 1.00 0.00 O +ATOM 19908 H1 WAT 6280 7.686 59.606 21.469 1.00 0.00 H +ATOM 19909 H2 WAT 6280 7.655 58.410 22.396 1.00 0.00 H +TER +ATOM 19910 O WAT 6281 5.602 58.039 33.542 1.00 0.00 O +ATOM 19911 H1 WAT 6281 4.912 57.846 34.176 1.00 0.00 H +ATOM 19912 H2 WAT 6281 6.345 58.323 34.074 1.00 0.00 H +TER +ATOM 19913 O WAT 6282 7.878 61.879 26.377 1.00 0.00 O +ATOM 19914 H1 WAT 6282 7.147 62.388 26.726 1.00 0.00 H +ATOM 19915 H2 WAT 6282 7.481 61.062 26.076 1.00 0.00 H +TER +ATOM 19916 O WAT 6283 4.316 58.554 24.782 1.00 0.00 O +ATOM 19917 H1 WAT 6283 4.320 58.113 23.933 1.00 0.00 H +ATOM 19918 H2 WAT 6283 5.211 58.876 24.890 1.00 0.00 H +TER +ATOM 19919 O WAT 6284 4.378 59.556 17.773 1.00 0.00 O +ATOM 19920 H1 WAT 6284 4.499 59.514 18.722 1.00 0.00 H +ATOM 19921 H2 WAT 6284 3.993 60.418 17.618 1.00 0.00 H +TER +ATOM 19922 O WAT 6285 8.341 57.332 25.789 1.00 0.00 O +ATOM 19923 H1 WAT 6285 8.358 57.783 26.634 1.00 0.00 H +ATOM 19924 H2 WAT 6285 8.093 56.433 26.003 1.00 0.00 H +TER +ATOM 19925 O WAT 6286 3.390 61.866 17.171 1.00 0.00 O +ATOM 19926 H1 WAT 6286 2.822 61.417 16.545 1.00 0.00 H +ATOM 19927 H2 WAT 6286 4.099 62.225 16.638 1.00 0.00 H +TER +ATOM 19928 O WAT 6287 11.768 54.745 31.628 1.00 0.00 O +ATOM 19929 H1 WAT 6287 12.093 54.014 32.154 1.00 0.00 H +ATOM 19930 H2 WAT 6287 11.804 54.427 30.726 1.00 0.00 H +TER +ATOM 19931 O WAT 6288 4.617 62.615 26.529 1.00 0.00 O +ATOM 19932 H1 WAT 6288 4.984 62.140 27.275 1.00 0.00 H +ATOM 19933 H2 WAT 6288 4.427 63.489 26.870 1.00 0.00 H +TER +ATOM 19934 O WAT 6289 2.407 61.655 28.847 1.00 0.00 O +ATOM 19935 H1 WAT 6289 2.103 62.535 29.072 1.00 0.00 H +ATOM 19936 H2 WAT 6289 3.362 61.715 28.883 1.00 0.00 H +TER +ATOM 19937 O WAT 6290 11.694 64.858 25.237 1.00 0.00 O +ATOM 19938 H1 WAT 6290 12.414 65.354 24.846 1.00 0.00 H +ATOM 19939 H2 WAT 6290 11.492 64.180 24.592 1.00 0.00 H +TER +ATOM 19940 O WAT 6291 7.155 56.252 19.380 1.00 0.00 O +ATOM 19941 H1 WAT 6291 6.341 55.753 19.304 1.00 0.00 H +ATOM 19942 H2 WAT 6291 6.961 57.092 18.963 1.00 0.00 H +TER +ATOM 19943 O WAT 6292 7.076 64.929 31.124 1.00 0.00 O +ATOM 19944 H1 WAT 6292 7.009 64.008 30.869 1.00 0.00 H +ATOM 19945 H2 WAT 6292 6.446 65.026 31.838 1.00 0.00 H +TER +ATOM 19946 O WAT 6293 9.870 60.624 17.676 1.00 0.00 O +ATOM 19947 H1 WAT 6293 10.758 60.935 17.501 1.00 0.00 H +ATOM 19948 H2 WAT 6293 9.840 59.751 17.284 1.00 0.00 H +TER +ATOM 19949 O WAT 6294 5.866 66.796 18.355 1.00 0.00 O +ATOM 19950 H1 WAT 6294 6.207 67.540 17.859 1.00 0.00 H +ATOM 19951 H2 WAT 6294 5.037 67.109 18.717 1.00 0.00 H +TER +ATOM 19952 O WAT 6295 7.007 67.751 30.874 1.00 0.00 O +ATOM 19953 H1 WAT 6295 7.022 66.819 30.656 1.00 0.00 H +ATOM 19954 H2 WAT 6295 6.300 67.837 31.513 1.00 0.00 H +TER +ATOM 19955 O WAT 6296 12.141 61.935 17.144 1.00 0.00 O +ATOM 19956 H1 WAT 6296 12.057 62.366 16.293 1.00 0.00 H +ATOM 19957 H2 WAT 6296 12.861 62.395 17.576 1.00 0.00 H +TER +ATOM 19958 O WAT 6297 13.219 64.392 30.221 1.00 0.00 O +ATOM 19959 H1 WAT 6297 12.493 64.985 30.024 1.00 0.00 H +ATOM 19960 H2 WAT 6297 13.746 64.384 29.422 1.00 0.00 H +TER +ATOM 19961 O WAT 6298 8.748 66.118 23.719 1.00 0.00 O +ATOM 19962 H1 WAT 6298 9.101 65.521 23.059 1.00 0.00 H +ATOM 19963 H2 WAT 6298 7.865 65.792 23.890 1.00 0.00 H +TER +ATOM 19964 O WAT 6299 4.835 66.877 21.126 1.00 0.00 O +ATOM 19965 H1 WAT 6299 5.522 67.424 21.507 1.00 0.00 H +ATOM 19966 H2 WAT 6299 4.048 67.422 21.161 1.00 0.00 H +TER +ATOM 19967 O WAT 6300 4.138 63.882 20.739 1.00 0.00 O +ATOM 19968 H1 WAT 6300 4.594 64.693 20.965 1.00 0.00 H +ATOM 19969 H2 WAT 6300 3.786 63.564 21.571 1.00 0.00 H +TER +ATOM 19970 O WAT 6301 11.560 67.681 16.410 1.00 0.00 O +ATOM 19971 H1 WAT 6301 11.333 66.964 17.002 1.00 0.00 H +ATOM 19972 H2 WAT 6301 11.169 67.432 15.572 1.00 0.00 H +TER +ATOM 19973 O WAT 6302 11.141 65.598 18.071 1.00 0.00 O +ATOM 19974 H1 WAT 6302 10.853 66.059 18.859 1.00 0.00 H +ATOM 19975 H2 WAT 6302 11.936 65.138 18.339 1.00 0.00 H +TER +ATOM 19976 O WAT 6303 8.532 58.477 28.422 1.00 0.00 O +ATOM 19977 H1 WAT 6303 8.900 57.657 28.750 1.00 0.00 H +ATOM 19978 H2 WAT 6303 7.672 58.537 28.837 1.00 0.00 H +TER +ATOM 19979 O WAT 6304 11.898 57.433 19.231 1.00 0.00 O +ATOM 19980 H1 WAT 6304 11.269 57.537 18.516 1.00 0.00 H +ATOM 19981 H2 WAT 6304 11.403 57.653 20.020 1.00 0.00 H +TER +ATOM 19982 O WAT 6305 3.867 59.711 20.646 1.00 0.00 O +ATOM 19983 H1 WAT 6305 3.158 60.180 21.088 1.00 0.00 H +ATOM 19984 H2 WAT 6305 4.151 59.054 21.281 1.00 0.00 H +TER +ATOM 19985 O WAT 6306 5.492 61.131 28.646 1.00 0.00 O +ATOM 19986 H1 WAT 6306 5.991 61.606 29.311 1.00 0.00 H +ATOM 19987 H2 WAT 6306 5.634 60.208 28.853 1.00 0.00 H +TER +ATOM 19988 O WAT 6307 7.898 56.437 22.086 1.00 0.00 O +ATOM 19989 H1 WAT 6307 7.775 56.455 21.137 1.00 0.00 H +ATOM 19990 H2 WAT 6307 8.847 56.484 22.206 1.00 0.00 H +TER +ATOM 19991 O WAT 6308 12.699 57.348 29.488 1.00 0.00 O +ATOM 19992 H1 WAT 6308 12.196 58.088 29.828 1.00 0.00 H +ATOM 19993 H2 WAT 6308 13.515 57.736 29.172 1.00 0.00 H +TER +ATOM 19994 O WAT 6309 10.991 62.591 22.935 1.00 0.00 O +ATOM 19995 H1 WAT 6309 10.050 62.606 23.109 1.00 0.00 H +ATOM 19996 H2 WAT 6309 11.305 61.805 23.381 1.00 0.00 H +TER +ATOM 19997 O WAT 6310 8.308 67.148 33.418 1.00 0.00 O +ATOM 19998 H1 WAT 6310 7.701 67.171 32.677 1.00 0.00 H +ATOM 19999 H2 WAT 6310 8.003 66.416 33.955 1.00 0.00 H +TER +ATOM 20000 O WAT 6311 4.093 66.249 15.969 1.00 0.00 O +ATOM 20001 H1 WAT 6311 3.988 65.634 16.695 1.00 0.00 H +ATOM 20002 H2 WAT 6311 3.926 65.725 15.185 1.00 0.00 H +TER +ATOM 20003 O WAT 6312 4.245 64.934 31.947 1.00 0.00 O +ATOM 20004 H1 WAT 6312 3.479 65.503 31.863 1.00 0.00 H +ATOM 20005 H2 WAT 6312 4.426 64.642 31.054 1.00 0.00 H +TER +ATOM 20006 O WAT 6313 7.334 65.311 16.573 1.00 0.00 O +ATOM 20007 H1 WAT 6313 6.785 65.758 17.217 1.00 0.00 H +ATOM 20008 H2 WAT 6313 7.956 64.806 17.096 1.00 0.00 H +TER +ATOM 20009 O WAT 6314 11.387 66.665 32.505 1.00 0.00 O +ATOM 20010 H1 WAT 6314 12.128 67.002 32.002 1.00 0.00 H +ATOM 20011 H2 WAT 6314 10.624 66.834 31.952 1.00 0.00 H +TER +ATOM 20012 O WAT 6315 3.001 64.270 18.469 1.00 0.00 O +ATOM 20013 H1 WAT 6315 3.423 64.104 19.312 1.00 0.00 H +ATOM 20014 H2 WAT 6315 3.126 63.460 17.975 1.00 0.00 H +TER +ATOM 20015 O WAT 6316 5.514 63.294 15.717 1.00 0.00 O +ATOM 20016 H1 WAT 6316 6.034 62.578 15.351 1.00 0.00 H +ATOM 20017 H2 WAT 6316 6.161 63.932 16.017 1.00 0.00 H +TER +ATOM 20018 O WAT 6317 10.062 64.716 31.040 1.00 0.00 O +ATOM 20019 H1 WAT 6317 10.476 64.871 31.890 1.00 0.00 H +ATOM 20020 H2 WAT 6317 9.127 64.842 31.203 1.00 0.00 H +TER +ATOM 20021 O WAT 6318 10.534 62.056 33.044 1.00 0.00 O +ATOM 20022 H1 WAT 6318 11.116 61.301 32.956 1.00 0.00 H +ATOM 20023 H2 WAT 6318 10.710 62.587 32.268 1.00 0.00 H +TER +ATOM 20024 O WAT 6319 4.417 55.773 28.389 1.00 0.00 O +ATOM 20025 H1 WAT 6319 3.969 55.795 27.543 1.00 0.00 H +ATOM 20026 H2 WAT 6319 3.784 55.375 28.986 1.00 0.00 H +TER +ATOM 20027 O WAT 6320 4.823 64.668 29.010 1.00 0.00 O +ATOM 20028 H1 WAT 6320 5.242 65.512 28.838 1.00 0.00 H +ATOM 20029 H2 WAT 6320 3.904 64.806 28.781 1.00 0.00 H +TER +ATOM 20030 O WAT 6321 7.160 62.400 30.394 1.00 0.00 O +ATOM 20031 H1 WAT 6321 7.279 61.804 31.133 1.00 0.00 H +ATOM 20032 H2 WAT 6321 8.019 62.437 29.974 1.00 0.00 H +TER +ATOM 20033 O WAT 6322 9.498 62.954 28.970 1.00 0.00 O +ATOM 20034 H1 WAT 6322 8.972 63.478 28.367 1.00 0.00 H +ATOM 20035 H2 WAT 6322 9.842 63.586 29.601 1.00 0.00 H +TER +ATOM 20036 O WAT 6323 3.926 58.942 31.651 1.00 0.00 O +ATOM 20037 H1 WAT 6323 4.516 58.634 32.339 1.00 0.00 H +ATOM 20038 H2 WAT 6323 3.108 58.470 31.807 1.00 0.00 H +TER +ATOM 20039 O WAT 6324 8.746 58.559 31.885 1.00 0.00 O +ATOM 20040 H1 WAT 6324 8.057 57.897 31.820 1.00 0.00 H +ATOM 20041 H2 WAT 6324 9.466 58.113 32.330 1.00 0.00 H +TER +ATOM 20042 O WAT 6325 9.376 55.154 17.944 1.00 0.00 O +ATOM 20043 H1 WAT 6325 9.656 54.311 18.300 1.00 0.00 H +ATOM 20044 H2 WAT 6325 8.602 55.386 18.458 1.00 0.00 H +TER +ATOM 20045 O WAT 6326 3.914 56.387 16.388 1.00 0.00 O +ATOM 20046 H1 WAT 6326 3.566 55.709 15.809 1.00 0.00 H +ATOM 20047 H2 WAT 6326 4.115 55.926 17.203 1.00 0.00 H +TER +ATOM 20048 O WAT 6327 13.754 64.392 18.554 1.00 0.00 O +ATOM 20049 H1 WAT 6327 14.516 64.961 18.660 1.00 0.00 H +ATOM 20050 H2 WAT 6327 13.769 63.824 19.325 1.00 0.00 H +TER +ATOM 20051 O WAT 6328 14.760 65.247 23.398 1.00 0.00 O +ATOM 20052 H1 WAT 6328 15.131 64.463 22.992 1.00 0.00 H +ATOM 20053 H2 WAT 6328 15.400 65.935 23.220 1.00 0.00 H +TER +ATOM 20054 O WAT 6329 11.743 66.630 28.811 1.00 0.00 O +ATOM 20055 H1 WAT 6329 10.929 67.060 29.074 1.00 0.00 H +ATOM 20056 H2 WAT 6329 12.151 67.242 28.198 1.00 0.00 H +TER +ATOM 20057 O WAT 6330 13.806 64.685 15.711 1.00 0.00 O +ATOM 20058 H1 WAT 6330 14.081 65.593 15.583 1.00 0.00 H +ATOM 20059 H2 WAT 6330 13.617 64.621 16.648 1.00 0.00 H +TER +ATOM 20060 O WAT 6331 10.203 57.709 17.007 1.00 0.00 O +ATOM 20061 H1 WAT 6331 10.622 57.523 16.166 1.00 0.00 H +ATOM 20062 H2 WAT 6331 9.897 56.857 17.317 1.00 0.00 H +TER +ATOM 20063 O WAT 6332 13.702 62.622 20.704 1.00 0.00 O +ATOM 20064 H1 WAT 6332 13.327 61.855 20.272 1.00 0.00 H +ATOM 20065 H2 WAT 6332 12.973 63.004 21.192 1.00 0.00 H +TER +ATOM 20066 O WAT 6333 13.092 61.769 30.338 1.00 0.00 O +ATOM 20067 H1 WAT 6333 12.861 61.540 29.438 1.00 0.00 H +ATOM 20068 H2 WAT 6333 13.353 62.689 30.293 1.00 0.00 H +TER +ATOM 20069 O WAT 6334 11.531 56.995 33.116 1.00 0.00 O +ATOM 20070 H1 WAT 6334 12.408 57.003 33.500 1.00 0.00 H +ATOM 20071 H2 WAT 6334 11.543 56.258 32.506 1.00 0.00 H +TER +ATOM 20072 O WAT 6335 12.977 60.848 24.005 1.00 0.00 O +ATOM 20073 H1 WAT 6335 13.501 60.354 23.374 1.00 0.00 H +ATOM 20074 H2 WAT 6335 13.563 60.983 24.750 1.00 0.00 H +TER +ATOM 20075 O WAT 6336 13.156 60.932 27.527 1.00 0.00 O +ATOM 20076 H1 WAT 6336 12.207 60.898 27.642 1.00 0.00 H +ATOM 20077 H2 WAT 6336 13.338 61.842 27.292 1.00 0.00 H +TER +ATOM 20078 O WAT 6337 12.467 60.105 19.944 1.00 0.00 O +ATOM 20079 H1 WAT 6337 12.963 59.872 20.729 1.00 0.00 H +ATOM 20080 H2 WAT 6337 12.269 59.266 19.528 1.00 0.00 H +TER +ATOM 20081 O WAT 6338 13.896 58.741 22.478 1.00 0.00 O +ATOM 20082 H1 WAT 6338 13.786 58.587 23.416 1.00 0.00 H +ATOM 20083 H2 WAT 6338 14.657 58.213 22.236 1.00 0.00 H +TER +ATOM 20084 O WAT 6339 12.243 54.680 28.936 1.00 0.00 O +ATOM 20085 H1 WAT 6339 12.880 55.294 29.302 1.00 0.00 H +ATOM 20086 H2 WAT 6339 12.390 54.717 27.991 1.00 0.00 H +TER +ATOM 20087 O WAT 6340 14.785 56.572 15.719 1.00 0.00 O +ATOM 20088 H1 WAT 6340 15.710 56.440 15.511 1.00 0.00 H +ATOM 20089 H2 WAT 6340 14.763 56.651 16.672 1.00 0.00 H +TER +ATOM 20090 O WAT 6341 14.859 57.343 18.344 1.00 0.00 O +ATOM 20091 H1 WAT 6341 14.064 57.277 18.874 1.00 0.00 H +ATOM 20092 H2 WAT 6341 15.063 58.278 18.333 1.00 0.00 H +TER +ATOM 20093 O WAT 6342 5.613 55.833 31.844 1.00 0.00 O +ATOM 20094 H1 WAT 6342 5.552 56.425 32.593 1.00 0.00 H +ATOM 20095 H2 WAT 6342 6.553 55.726 31.699 1.00 0.00 H +TER +ATOM 20096 O WAT 6343 8.251 55.490 31.483 1.00 0.00 O +ATOM 20097 H1 WAT 6343 8.865 55.808 30.821 1.00 0.00 H +ATOM 20098 H2 WAT 6343 8.796 55.005 32.103 1.00 0.00 H +TER +ATOM 20099 O WAT 6344 8.991 54.053 27.810 1.00 0.00 O +ATOM 20100 H1 WAT 6344 8.117 54.387 27.607 1.00 0.00 H +ATOM 20101 H2 WAT 6344 8.883 53.581 28.635 1.00 0.00 H +TER +ATOM 20102 O WAT 6345 9.899 56.260 29.194 1.00 0.00 O +ATOM 20103 H1 WAT 6345 9.570 55.446 28.814 1.00 0.00 H +ATOM 20104 H2 WAT 6345 10.847 56.217 29.071 1.00 0.00 H +TER +ATOM 20105 O WAT 6346 6.739 54.970 26.749 1.00 0.00 O +ATOM 20106 H1 WAT 6346 5.956 55.445 27.029 1.00 0.00 H +ATOM 20107 H2 WAT 6346 6.445 54.066 26.641 1.00 0.00 H +TER +ATOM 20108 O WAT 6347 11.291 55.673 24.794 1.00 0.00 O +ATOM 20109 H1 WAT 6347 11.732 55.617 23.946 1.00 0.00 H +ATOM 20110 H2 WAT 6347 11.022 56.588 24.865 1.00 0.00 H +TER +ATOM 20111 O WAT 6348 13.155 55.304 22.805 1.00 0.00 O +ATOM 20112 H1 WAT 6348 13.094 54.360 22.658 1.00 0.00 H +ATOM 20113 H2 WAT 6348 13.934 55.412 23.350 1.00 0.00 H +TER +ATOM 20114 O WAT 6349 4.624 57.389 22.261 1.00 0.00 O +ATOM 20115 H1 WAT 6349 3.812 57.015 21.921 1.00 0.00 H +ATOM 20116 H2 WAT 6349 5.129 56.633 22.563 1.00 0.00 H +TER +ATOM 20117 O WAT 6350 9.127 54.053 23.499 1.00 0.00 O +ATOM 20118 H1 WAT 6350 9.730 54.625 23.974 1.00 0.00 H +ATOM 20119 H2 WAT 6350 8.386 54.617 23.277 1.00 0.00 H +TER +ATOM 20120 O WAT 6351 12.270 54.455 18.773 1.00 0.00 O +ATOM 20121 H1 WAT 6351 12.465 55.354 19.040 1.00 0.00 H +ATOM 20122 H2 WAT 6351 11.483 54.224 19.267 1.00 0.00 H +TER +ATOM 20123 O WAT 6352 2.649 55.539 20.865 1.00 0.00 O +ATOM 20124 H1 WAT 6352 2.020 54.838 21.032 1.00 0.00 H +ATOM 20125 H2 WAT 6352 2.110 56.299 20.649 1.00 0.00 H +TER +ATOM 20126 O WAT 6353 2.775 54.817 33.301 1.00 0.00 O +ATOM 20127 H1 WAT 6353 2.493 55.321 32.537 1.00 0.00 H +ATOM 20128 H2 WAT 6353 3.157 54.020 32.935 1.00 0.00 H +TER +ATOM 20129 O WAT 6354 9.376 54.233 33.879 1.00 0.00 O +ATOM 20130 H1 WAT 6354 9.263 54.552 34.774 1.00 0.00 H +ATOM 20131 H2 WAT 6354 10.193 54.634 33.582 1.00 0.00 H +TER +ATOM 20132 O WAT 6355 8.282 62.252 4.242 1.00 0.00 O +ATOM 20133 H1 WAT 6355 8.202 61.337 3.971 1.00 0.00 H +ATOM 20134 H2 WAT 6355 7.869 62.749 3.536 1.00 0.00 H +TER +ATOM 20135 O WAT 6356 6.414 64.030 6.123 1.00 0.00 O +ATOM 20136 H1 WAT 6356 5.638 63.550 6.413 1.00 0.00 H +ATOM 20137 H2 WAT 6356 7.065 63.350 5.949 1.00 0.00 H +TER +ATOM 20138 O WAT 6357 5.855 66.706 6.130 1.00 0.00 O +ATOM 20139 H1 WAT 6357 5.786 65.765 5.969 1.00 0.00 H +ATOM 20140 H2 WAT 6357 6.617 66.796 6.702 1.00 0.00 H +TER +ATOM 20141 O WAT 6358 6.885 59.513 6.357 1.00 0.00 O +ATOM 20142 H1 WAT 6358 7.262 58.640 6.244 1.00 0.00 H +ATOM 20143 H2 WAT 6358 6.787 59.849 5.466 1.00 0.00 H +TER +ATOM 20144 O WAT 6359 10.668 57.008 3.290 1.00 0.00 O +ATOM 20145 H1 WAT 6359 11.489 56.517 3.332 1.00 0.00 H +ATOM 20146 H2 WAT 6359 10.701 57.597 4.043 1.00 0.00 H +TER +ATOM 20147 O WAT 6360 2.857 60.854 6.151 1.00 0.00 O +ATOM 20148 H1 WAT 6360 3.365 61.352 6.792 1.00 0.00 H +ATOM 20149 H2 WAT 6360 3.388 60.077 5.975 1.00 0.00 H +TER +ATOM 20150 O WAT 6361 14.958 59.024 9.854 1.00 0.00 O +ATOM 20151 H1 WAT 6361 14.253 59.413 9.336 1.00 0.00 H +ATOM 20152 H2 WAT 6361 15.224 59.719 10.456 1.00 0.00 H +TER +ATOM 20153 O WAT 6362 2.391 65.133 8.595 1.00 0.00 O +ATOM 20154 H1 WAT 6362 2.058 65.760 9.237 1.00 0.00 H +ATOM 20155 H2 WAT 6362 2.567 65.659 7.815 1.00 0.00 H +TER +ATOM 20156 O WAT 6363 10.904 58.948 6.063 1.00 0.00 O +ATOM 20157 H1 WAT 6363 10.200 59.236 6.643 1.00 0.00 H +ATOM 20158 H2 WAT 6363 11.265 59.758 5.703 1.00 0.00 H +TER +ATOM 20159 O WAT 6364 13.973 58.393 6.454 1.00 0.00 O +ATOM 20160 H1 WAT 6364 13.025 58.427 6.585 1.00 0.00 H +ATOM 20161 H2 WAT 6364 14.298 59.207 6.838 1.00 0.00 H +TER +ATOM 20162 O WAT 6365 4.505 54.693 4.749 1.00 0.00 O +ATOM 20163 H1 WAT 6365 4.812 54.138 4.033 1.00 0.00 H +ATOM 20164 H2 WAT 6365 3.575 54.827 4.566 1.00 0.00 H +TER +ATOM 20165 O WAT 6366 11.351 67.131 2.129 1.00 0.00 O +ATOM 20166 H1 WAT 6366 11.240 66.189 2.254 1.00 0.00 H +ATOM 20167 H2 WAT 6366 11.347 67.493 3.015 1.00 0.00 H +TER +ATOM 20168 O WAT 6367 9.455 65.313 8.368 1.00 0.00 O +ATOM 20169 H1 WAT 6367 9.872 65.099 7.534 1.00 0.00 H +ATOM 20170 H2 WAT 6367 10.179 65.570 8.939 1.00 0.00 H +TER +ATOM 20171 O WAT 6368 13.401 63.711 8.460 1.00 0.00 O +ATOM 20172 H1 WAT 6368 12.573 63.781 7.985 1.00 0.00 H +ATOM 20173 H2 WAT 6368 13.996 64.297 7.991 1.00 0.00 H +TER +ATOM 20174 O WAT 6369 10.365 60.498 9.405 1.00 0.00 O +ATOM 20175 H1 WAT 6369 9.952 61.324 9.659 1.00 0.00 H +ATOM 20176 H2 WAT 6369 9.633 59.913 9.213 1.00 0.00 H +TER +ATOM 20177 O WAT 6370 2.498 63.284 4.267 1.00 0.00 O +ATOM 20178 H1 WAT 6370 2.094 62.572 3.772 1.00 0.00 H +ATOM 20179 H2 WAT 6370 2.585 62.940 5.156 1.00 0.00 H +TER +ATOM 20180 O WAT 6371 2.967 66.971 6.431 1.00 0.00 O +ATOM 20181 H1 WAT 6371 2.669 66.366 5.752 1.00 0.00 H +ATOM 20182 H2 WAT 6371 3.917 67.009 6.320 1.00 0.00 H +TER +ATOM 20183 O WAT 6372 14.038 67.497 12.323 1.00 0.00 O +ATOM 20184 H1 WAT 6372 14.165 67.258 11.404 1.00 0.00 H +ATOM 20185 H2 WAT 6372 14.080 66.665 12.795 1.00 0.00 H +TER +ATOM 20186 O WAT 6373 13.891 59.550 13.287 1.00 0.00 O +ATOM 20187 H1 WAT 6373 13.275 60.058 12.759 1.00 0.00 H +ATOM 20188 H2 WAT 6373 13.570 58.650 13.230 1.00 0.00 H +TER +ATOM 20189 O WAT 6374 5.952 58.389 10.754 1.00 0.00 O +ATOM 20190 H1 WAT 6374 5.490 58.597 11.566 1.00 0.00 H +ATOM 20191 H2 WAT 6374 5.550 57.575 10.451 1.00 0.00 H +TER +ATOM 20192 O WAT 6375 10.953 59.610 11.883 1.00 0.00 O +ATOM 20193 H1 WAT 6375 10.102 59.311 12.204 1.00 0.00 H +ATOM 20194 H2 WAT 6375 10.793 59.854 10.972 1.00 0.00 H +TER +ATOM 20195 O WAT 6376 8.048 61.110 13.983 1.00 0.00 O +ATOM 20196 H1 WAT 6376 8.373 60.277 13.643 1.00 0.00 H +ATOM 20197 H2 WAT 6376 8.836 61.633 14.131 1.00 0.00 H +TER +ATOM 20198 O WAT 6377 3.703 56.067 7.009 1.00 0.00 O +ATOM 20199 H1 WAT 6377 4.000 56.973 6.928 1.00 0.00 H +ATOM 20200 H2 WAT 6377 4.251 55.579 6.395 1.00 0.00 H +TER +ATOM 20201 O WAT 6378 3.897 61.544 13.544 1.00 0.00 O +ATOM 20202 H1 WAT 6378 3.801 60.604 13.394 1.00 0.00 H +ATOM 20203 H2 WAT 6378 4.740 61.766 13.149 1.00 0.00 H +TER +ATOM 20204 O WAT 6379 7.293 59.288 3.508 1.00 0.00 O +ATOM 20205 H1 WAT 6379 7.686 59.606 2.695 1.00 0.00 H +ATOM 20206 H2 WAT 6379 7.655 58.410 3.622 1.00 0.00 H +TER +ATOM 20207 O WAT 6380 5.602 58.039 14.767 1.00 0.00 O +ATOM 20208 H1 WAT 6380 4.912 57.846 15.402 1.00 0.00 H +ATOM 20209 H2 WAT 6380 6.345 58.323 15.300 1.00 0.00 H +TER +ATOM 20210 O WAT 6381 7.878 61.879 7.603 1.00 0.00 O +ATOM 20211 H1 WAT 6381 7.147 62.388 7.952 1.00 0.00 H +ATOM 20212 H2 WAT 6381 7.481 61.062 7.302 1.00 0.00 H +TER +ATOM 20213 O WAT 6382 4.316 58.554 6.008 1.00 0.00 O +ATOM 20214 H1 WAT 6382 4.320 58.113 5.158 1.00 0.00 H +ATOM 20215 H2 WAT 6382 5.211 58.876 6.115 1.00 0.00 H +TER +ATOM 20216 O WAT 6383 8.341 57.332 7.015 1.00 0.00 O +ATOM 20217 H1 WAT 6383 8.358 57.783 7.859 1.00 0.00 H +ATOM 20218 H2 WAT 6383 8.093 56.433 7.228 1.00 0.00 H +TER +ATOM 20219 O WAT 6384 11.768 54.745 12.854 1.00 0.00 O +ATOM 20220 H1 WAT 6384 12.093 54.014 13.380 1.00 0.00 H +ATOM 20221 H2 WAT 6384 11.804 54.427 11.952 1.00 0.00 H +TER +ATOM 20222 O WAT 6385 4.617 62.615 7.755 1.00 0.00 O +ATOM 20223 H1 WAT 6385 4.984 62.140 8.501 1.00 0.00 H +ATOM 20224 H2 WAT 6385 4.427 63.489 8.095 1.00 0.00 H +TER +ATOM 20225 O WAT 6386 2.407 61.655 10.073 1.00 0.00 O +ATOM 20226 H1 WAT 6386 2.103 62.535 10.298 1.00 0.00 H +ATOM 20227 H2 WAT 6386 3.362 61.715 10.109 1.00 0.00 H +TER +ATOM 20228 O WAT 6387 11.694 64.858 6.462 1.00 0.00 O +ATOM 20229 H1 WAT 6387 12.414 65.354 6.072 1.00 0.00 H +ATOM 20230 H2 WAT 6387 11.492 64.180 5.818 1.00 0.00 H +TER +ATOM 20231 O WAT 6388 7.076 64.929 12.349 1.00 0.00 O +ATOM 20232 H1 WAT 6388 7.009 64.008 12.095 1.00 0.00 H +ATOM 20233 H2 WAT 6388 6.446 65.026 13.064 1.00 0.00 H +TER +ATOM 20234 O WAT 6389 7.007 67.751 12.100 1.00 0.00 O +ATOM 20235 H1 WAT 6389 7.022 66.819 11.881 1.00 0.00 H +ATOM 20236 H2 WAT 6389 6.300 67.837 12.739 1.00 0.00 H +TER +ATOM 20237 O WAT 6390 13.219 64.392 11.446 1.00 0.00 O +ATOM 20238 H1 WAT 6390 12.493 64.985 11.249 1.00 0.00 H +ATOM 20239 H2 WAT 6390 13.746 64.384 10.648 1.00 0.00 H +TER +ATOM 20240 O WAT 6391 8.748 66.118 4.945 1.00 0.00 O +ATOM 20241 H1 WAT 6391 9.101 65.521 4.285 1.00 0.00 H +ATOM 20242 H2 WAT 6391 7.865 65.792 5.116 1.00 0.00 H +TER +ATOM 20243 O WAT 6392 4.835 66.877 2.352 1.00 0.00 O +ATOM 20244 H1 WAT 6392 5.522 67.424 2.733 1.00 0.00 H +ATOM 20245 H2 WAT 6392 4.048 67.422 2.387 1.00 0.00 H +TER +ATOM 20246 O WAT 6393 8.532 58.477 9.647 1.00 0.00 O +ATOM 20247 H1 WAT 6393 8.900 57.657 9.975 1.00 0.00 H +ATOM 20248 H2 WAT 6393 7.672 58.537 10.063 1.00 0.00 H +TER +ATOM 20249 O WAT 6394 5.492 61.131 9.871 1.00 0.00 O +ATOM 20250 H1 WAT 6394 5.991 61.606 10.536 1.00 0.00 H +ATOM 20251 H2 WAT 6394 5.634 60.208 10.078 1.00 0.00 H +TER +ATOM 20252 O WAT 6395 7.898 56.437 3.312 1.00 0.00 O +ATOM 20253 H1 WAT 6395 7.775 56.455 2.363 1.00 0.00 H +ATOM 20254 H2 WAT 6395 8.847 56.484 3.431 1.00 0.00 H +TER +ATOM 20255 O WAT 6396 12.699 57.348 10.714 1.00 0.00 O +ATOM 20256 H1 WAT 6396 12.196 58.088 11.053 1.00 0.00 H +ATOM 20257 H2 WAT 6396 13.515 57.736 10.398 1.00 0.00 H +TER +ATOM 20258 O WAT 6397 10.991 62.591 4.160 1.00 0.00 O +ATOM 20259 H1 WAT 6397 10.050 62.606 4.335 1.00 0.00 H +ATOM 20260 H2 WAT 6397 11.305 61.805 4.606 1.00 0.00 H +TER +ATOM 20261 O WAT 6398 8.308 67.148 14.643 1.00 0.00 O +ATOM 20262 H1 WAT 6398 7.701 67.171 13.903 1.00 0.00 H +ATOM 20263 H2 WAT 6398 8.003 66.416 15.180 1.00 0.00 H +TER +ATOM 20264 O WAT 6399 4.245 64.934 13.173 1.00 0.00 O +ATOM 20265 H1 WAT 6399 3.479 65.503 13.089 1.00 0.00 H +ATOM 20266 H2 WAT 6399 4.426 64.642 12.280 1.00 0.00 H +TER +ATOM 20267 O WAT 6400 11.387 66.665 13.731 1.00 0.00 O +ATOM 20268 H1 WAT 6400 12.128 67.002 13.227 1.00 0.00 H +ATOM 20269 H2 WAT 6400 10.624 66.834 13.178 1.00 0.00 H +TER +ATOM 20270 O WAT 6401 10.062 64.716 12.266 1.00 0.00 O +ATOM 20271 H1 WAT 6401 10.476 64.871 13.115 1.00 0.00 H +ATOM 20272 H2 WAT 6401 9.127 64.842 12.429 1.00 0.00 H +TER +ATOM 20273 O WAT 6402 10.534 62.056 14.270 1.00 0.00 O +ATOM 20274 H1 WAT 6402 11.116 61.301 14.182 1.00 0.00 H +ATOM 20275 H2 WAT 6402 10.710 62.587 13.493 1.00 0.00 H +TER +ATOM 20276 O WAT 6403 4.417 55.773 9.614 1.00 0.00 O +ATOM 20277 H1 WAT 6403 3.969 55.795 8.769 1.00 0.00 H +ATOM 20278 H2 WAT 6403 3.784 55.375 10.212 1.00 0.00 H +TER +ATOM 20279 O WAT 6404 4.823 64.668 10.236 1.00 0.00 O +ATOM 20280 H1 WAT 6404 5.242 65.512 10.063 1.00 0.00 H +ATOM 20281 H2 WAT 6404 3.904 64.806 10.006 1.00 0.00 H +TER +ATOM 20282 O WAT 6405 7.160 62.400 11.620 1.00 0.00 O +ATOM 20283 H1 WAT 6405 7.279 61.804 12.359 1.00 0.00 H +ATOM 20284 H2 WAT 6405 8.019 62.437 11.200 1.00 0.00 H +TER +ATOM 20285 O WAT 6406 9.498 62.954 10.196 1.00 0.00 O +ATOM 20286 H1 WAT 6406 8.972 63.478 9.592 1.00 0.00 H +ATOM 20287 H2 WAT 6406 9.842 63.586 10.827 1.00 0.00 H +TER +ATOM 20288 O WAT 6407 3.926 58.942 12.877 1.00 0.00 O +ATOM 20289 H1 WAT 6407 4.516 58.634 13.565 1.00 0.00 H +ATOM 20290 H2 WAT 6407 3.108 58.470 13.033 1.00 0.00 H +TER +ATOM 20291 O WAT 6408 8.746 58.559 13.110 1.00 0.00 O +ATOM 20292 H1 WAT 6408 8.057 57.897 13.045 1.00 0.00 H +ATOM 20293 H2 WAT 6408 9.466 58.113 13.555 1.00 0.00 H +TER +ATOM 20294 O WAT 6409 14.760 65.247 4.624 1.00 0.00 O +ATOM 20295 H1 WAT 6409 15.131 64.463 4.218 1.00 0.00 H +ATOM 20296 H2 WAT 6409 15.400 65.935 4.446 1.00 0.00 H +TER +ATOM 20297 O WAT 6410 11.743 66.630 10.037 1.00 0.00 O +ATOM 20298 H1 WAT 6410 10.929 67.060 10.300 1.00 0.00 H +ATOM 20299 H2 WAT 6410 12.151 67.242 9.424 1.00 0.00 H +TER +ATOM 20300 O WAT 6411 13.092 61.769 11.564 1.00 0.00 O +ATOM 20301 H1 WAT 6411 12.861 61.540 10.664 1.00 0.00 H +ATOM 20302 H2 WAT 6411 13.353 62.689 11.518 1.00 0.00 H +TER +ATOM 20303 O WAT 6412 11.531 56.995 14.342 1.00 0.00 O +ATOM 20304 H1 WAT 6412 12.408 57.003 14.725 1.00 0.00 H +ATOM 20305 H2 WAT 6412 11.543 56.258 13.731 1.00 0.00 H +TER +ATOM 20306 O WAT 6413 12.977 60.848 5.231 1.00 0.00 O +ATOM 20307 H1 WAT 6413 13.501 60.354 4.600 1.00 0.00 H +ATOM 20308 H2 WAT 6413 13.563 60.983 5.975 1.00 0.00 H +TER +ATOM 20309 O WAT 6414 13.156 60.932 8.753 1.00 0.00 O +ATOM 20310 H1 WAT 6414 12.207 60.898 8.867 1.00 0.00 H +ATOM 20311 H2 WAT 6414 13.338 61.842 8.518 1.00 0.00 H +TER +ATOM 20312 O WAT 6415 13.896 58.741 3.704 1.00 0.00 O +ATOM 20313 H1 WAT 6415 13.786 58.587 4.642 1.00 0.00 H +ATOM 20314 H2 WAT 6415 14.657 58.213 3.461 1.00 0.00 H +TER +ATOM 20315 O WAT 6416 12.243 54.680 10.162 1.00 0.00 O +ATOM 20316 H1 WAT 6416 12.880 55.294 10.528 1.00 0.00 H +ATOM 20317 H2 WAT 6416 12.390 54.717 9.217 1.00 0.00 H +TER +ATOM 20318 O WAT 6417 5.613 55.833 13.070 1.00 0.00 O +ATOM 20319 H1 WAT 6417 5.552 56.425 13.819 1.00 0.00 H +ATOM 20320 H2 WAT 6417 6.553 55.726 12.925 1.00 0.00 H +TER +ATOM 20321 O WAT 6418 8.251 55.490 12.709 1.00 0.00 O +ATOM 20322 H1 WAT 6418 8.865 55.808 12.047 1.00 0.00 H +ATOM 20323 H2 WAT 6418 8.796 55.005 13.328 1.00 0.00 H +TER +ATOM 20324 O WAT 6419 8.991 54.053 9.036 1.00 0.00 O +ATOM 20325 H1 WAT 6419 8.117 54.387 8.833 1.00 0.00 H +ATOM 20326 H2 WAT 6419 8.883 53.581 9.861 1.00 0.00 H +TER +ATOM 20327 O WAT 6420 9.899 56.260 10.420 1.00 0.00 O +ATOM 20328 H1 WAT 6420 9.570 55.446 10.040 1.00 0.00 H +ATOM 20329 H2 WAT 6420 10.847 56.217 10.296 1.00 0.00 H +TER +ATOM 20330 O WAT 6421 6.739 54.970 7.975 1.00 0.00 O +ATOM 20331 H1 WAT 6421 5.956 55.445 8.255 1.00 0.00 H +ATOM 20332 H2 WAT 6421 6.445 54.066 7.866 1.00 0.00 H +TER +ATOM 20333 O WAT 6422 11.291 55.673 6.020 1.00 0.00 O +ATOM 20334 H1 WAT 6422 11.732 55.617 5.172 1.00 0.00 H +ATOM 20335 H2 WAT 6422 11.022 56.588 6.091 1.00 0.00 H +TER +ATOM 20336 O WAT 6423 13.155 55.304 4.031 1.00 0.00 O +ATOM 20337 H1 WAT 6423 13.094 54.360 3.884 1.00 0.00 H +ATOM 20338 H2 WAT 6423 13.934 55.412 4.576 1.00 0.00 H +TER +ATOM 20339 O WAT 6424 4.624 57.389 3.487 1.00 0.00 O +ATOM 20340 H1 WAT 6424 3.812 57.015 3.146 1.00 0.00 H +ATOM 20341 H2 WAT 6424 5.129 56.633 3.789 1.00 0.00 H +TER +ATOM 20342 O WAT 6425 9.127 54.053 4.725 1.00 0.00 O +ATOM 20343 H1 WAT 6425 9.730 54.625 5.200 1.00 0.00 H +ATOM 20344 H2 WAT 6425 8.386 54.617 4.502 1.00 0.00 H +TER +ATOM 20345 O WAT 6426 2.775 54.817 14.526 1.00 0.00 O +ATOM 20346 H1 WAT 6426 2.493 55.321 13.762 1.00 0.00 H +ATOM 20347 H2 WAT 6426 3.157 54.020 14.161 1.00 0.00 H +TER +ATOM 20348 O WAT 6427 9.376 54.233 15.104 1.00 0.00 O +ATOM 20349 H1 WAT 6427 9.263 54.552 16.000 1.00 0.00 H +ATOM 20350 H2 WAT 6427 10.193 54.634 14.808 1.00 0.00 H +TER +ATOM 20351 O WAT 6428 8.282 43.478 60.565 1.00 0.00 O +ATOM 20352 H1 WAT 6428 8.202 42.563 60.294 1.00 0.00 H +ATOM 20353 H2 WAT 6428 7.869 43.974 59.859 1.00 0.00 H +TER +ATOM 20354 O WAT 6429 6.414 45.256 62.446 1.00 0.00 O +ATOM 20355 H1 WAT 6429 5.638 44.776 62.736 1.00 0.00 H +ATOM 20356 H2 WAT 6429 7.065 44.576 62.272 1.00 0.00 H +TER +ATOM 20357 O WAT 6430 10.435 49.662 61.226 1.00 0.00 O +ATOM 20358 H1 WAT 6430 9.973 48.890 61.555 1.00 0.00 H +ATOM 20359 H2 WAT 6430 11.247 49.688 61.731 1.00 0.00 H +TER +ATOM 20360 O WAT 6431 6.661 51.947 60.847 1.00 0.00 O +ATOM 20361 H1 WAT 6431 6.042 52.403 60.276 1.00 0.00 H +ATOM 20362 H2 WAT 6431 7.516 52.103 60.445 1.00 0.00 H +TER +ATOM 20363 O WAT 6432 5.855 47.931 62.453 1.00 0.00 O +ATOM 20364 H1 WAT 6432 5.786 46.990 62.292 1.00 0.00 H +ATOM 20365 H2 WAT 6432 6.617 48.021 63.025 1.00 0.00 H +TER +ATOM 20366 O WAT 6433 6.885 40.738 62.680 1.00 0.00 O +ATOM 20367 H1 WAT 6433 7.262 39.865 62.567 1.00 0.00 H +ATOM 20368 H2 WAT 6433 6.787 41.074 61.789 1.00 0.00 H +TER +ATOM 20369 O WAT 6434 10.668 38.233 59.613 1.00 0.00 O +ATOM 20370 H1 WAT 6434 11.489 37.743 59.655 1.00 0.00 H +ATOM 20371 H2 WAT 6434 10.701 38.823 60.366 1.00 0.00 H +TER +ATOM 20372 O WAT 6435 2.857 42.079 62.474 1.00 0.00 O +ATOM 20373 H1 WAT 6435 3.365 42.578 63.115 1.00 0.00 H +ATOM 20374 H2 WAT 6435 3.388 41.303 62.298 1.00 0.00 H +TER +ATOM 20375 O WAT 6436 7.527 46.831 58.240 1.00 0.00 O +ATOM 20376 H1 WAT 6436 6.909 47.296 57.676 1.00 0.00 H +ATOM 20377 H2 WAT 6436 8.040 47.524 58.657 1.00 0.00 H +TER +ATOM 20378 O WAT 6437 2.391 46.359 64.918 1.00 0.00 O +ATOM 20379 H1 WAT 6437 2.058 46.986 65.560 1.00 0.00 H +ATOM 20380 H2 WAT 6437 2.567 46.885 64.138 1.00 0.00 H +TER +ATOM 20381 O WAT 6438 10.904 40.173 62.386 1.00 0.00 O +ATOM 20382 H1 WAT 6438 10.200 40.462 62.966 1.00 0.00 H +ATOM 20383 H2 WAT 6438 11.265 40.983 62.026 1.00 0.00 H +TER +ATOM 20384 O WAT 6439 12.520 49.791 64.648 1.00 0.00 O +ATOM 20385 H1 WAT 6439 11.837 50.461 64.640 1.00 0.00 H +ATOM 20386 H2 WAT 6439 13.060 49.989 63.883 1.00 0.00 H +TER +ATOM 20387 O WAT 6440 13.973 39.619 62.777 1.00 0.00 O +ATOM 20388 H1 WAT 6440 13.025 39.653 62.908 1.00 0.00 H +ATOM 20389 H2 WAT 6440 14.298 40.433 63.162 1.00 0.00 H +TER +ATOM 20390 O WAT 6441 4.505 35.919 61.072 1.00 0.00 O +ATOM 20391 H1 WAT 6441 4.812 35.363 60.356 1.00 0.00 H +ATOM 20392 H2 WAT 6441 3.575 36.053 60.890 1.00 0.00 H +TER +ATOM 20393 O WAT 6442 10.056 51.635 63.363 1.00 0.00 O +ATOM 20394 H1 WAT 6442 10.069 51.232 62.495 1.00 0.00 H +ATOM 20395 H2 WAT 6442 9.504 52.410 63.259 1.00 0.00 H +TER +ATOM 20396 O WAT 6443 11.351 48.357 58.452 1.00 0.00 O +ATOM 20397 H1 WAT 6443 11.240 47.414 58.577 1.00 0.00 H +ATOM 20398 H2 WAT 6443 11.347 48.718 59.338 1.00 0.00 H +TER +ATOM 20399 O WAT 6444 9.455 46.538 64.691 1.00 0.00 O +ATOM 20400 H1 WAT 6444 9.872 46.324 63.857 1.00 0.00 H +ATOM 20401 H2 WAT 6444 10.179 46.796 65.262 1.00 0.00 H +TER +ATOM 20402 O WAT 6445 6.893 43.983 57.808 1.00 0.00 O +ATOM 20403 H1 WAT 6445 5.966 43.917 58.037 1.00 0.00 H +ATOM 20404 H2 WAT 6445 7.045 44.921 57.694 1.00 0.00 H +TER +ATOM 20405 O WAT 6446 6.880 40.255 54.805 1.00 0.00 O +ATOM 20406 H1 WAT 6446 5.940 40.417 54.890 1.00 0.00 H +ATOM 20407 H2 WAT 6446 7.198 40.974 54.259 1.00 0.00 H +TER +ATOM 20408 O WAT 6447 13.401 44.937 64.783 1.00 0.00 O +ATOM 20409 H1 WAT 6447 12.573 45.006 64.308 1.00 0.00 H +ATOM 20410 H2 WAT 6447 13.996 45.522 64.314 1.00 0.00 H +TER +ATOM 20411 O WAT 6448 10.922 45.545 58.312 1.00 0.00 O +ATOM 20412 H1 WAT 6448 10.304 45.207 57.664 1.00 0.00 H +ATOM 20413 H2 WAT 6448 10.905 44.901 59.020 1.00 0.00 H +TER +ATOM 20414 O WAT 6449 10.365 41.724 65.728 1.00 0.00 O +ATOM 20415 H1 WAT 6449 9.952 42.549 65.982 1.00 0.00 H +ATOM 20416 H2 WAT 6449 9.633 41.138 65.536 1.00 0.00 H +TER +ATOM 20417 O WAT 6450 2.498 44.510 60.590 1.00 0.00 O +ATOM 20418 H1 WAT 6450 2.094 43.798 60.095 1.00 0.00 H +ATOM 20419 H2 WAT 6450 2.585 44.165 61.479 1.00 0.00 H +TER +ATOM 20420 O WAT 6451 2.967 48.197 62.754 1.00 0.00 O +ATOM 20421 H1 WAT 6451 2.669 47.591 62.075 1.00 0.00 H +ATOM 20422 H2 WAT 6451 3.917 48.234 62.643 1.00 0.00 H +TER +ATOM 20423 O WAT 6452 9.099 44.784 55.319 1.00 0.00 O +ATOM 20424 H1 WAT 6452 9.538 43.946 55.173 1.00 0.00 H +ATOM 20425 H2 WAT 6452 9.812 45.417 55.405 1.00 0.00 H +TER +ATOM 20426 O WAT 6453 7.208 49.724 59.287 1.00 0.00 O +ATOM 20427 H1 WAT 6453 7.648 50.466 58.873 1.00 0.00 H +ATOM 20428 H2 WAT 6453 7.147 49.966 60.211 1.00 0.00 H +TER +ATOM 20429 O WAT 6454 12.681 36.038 53.633 1.00 0.00 O +ATOM 20430 H1 WAT 6454 12.368 36.131 54.533 1.00 0.00 H +ATOM 20431 H2 WAT 6454 13.442 36.617 53.583 1.00 0.00 H +TER +ATOM 20432 O WAT 6455 9.875 52.711 56.643 1.00 0.00 O +ATOM 20433 H1 WAT 6455 9.716 52.421 57.542 1.00 0.00 H +ATOM 20434 H2 WAT 6455 9.710 51.935 56.108 1.00 0.00 H +TER +ATOM 20435 O WAT 6456 9.578 50.219 55.203 1.00 0.00 O +ATOM 20436 H1 WAT 6456 8.885 50.217 54.543 1.00 0.00 H +ATOM 20437 H2 WAT 6456 10.320 49.795 54.773 1.00 0.00 H +TER +ATOM 20438 O WAT 6457 9.143 51.846 59.278 1.00 0.00 O +ATOM 20439 H1 WAT 6457 9.599 51.065 59.592 1.00 0.00 H +ATOM 20440 H2 WAT 6457 9.482 52.556 59.822 1.00 0.00 H +TER +ATOM 20441 O WAT 6458 4.781 36.369 56.354 1.00 0.00 O +ATOM 20442 H1 WAT 6458 4.156 36.365 57.079 1.00 0.00 H +ATOM 20443 H2 WAT 6458 4.694 35.502 55.957 1.00 0.00 H +TER +ATOM 20444 O WAT 6459 3.703 37.293 63.332 1.00 0.00 O +ATOM 20445 H1 WAT 6459 4.000 38.199 63.251 1.00 0.00 H +ATOM 20446 H2 WAT 6459 4.251 36.805 62.718 1.00 0.00 H +TER +ATOM 20447 O WAT 6460 8.686 41.878 57.800 1.00 0.00 O +ATOM 20448 H1 WAT 6460 8.087 42.601 57.617 1.00 0.00 H +ATOM 20449 H2 WAT 6460 9.234 41.815 57.018 1.00 0.00 H +TER +ATOM 20450 O WAT 6461 7.293 40.514 59.831 1.00 0.00 O +ATOM 20451 H1 WAT 6461 7.686 40.831 59.018 1.00 0.00 H +ATOM 20452 H2 WAT 6461 7.655 39.635 59.945 1.00 0.00 H +TER +ATOM 20453 O WAT 6462 7.878 43.105 63.926 1.00 0.00 O +ATOM 20454 H1 WAT 6462 7.147 43.613 64.275 1.00 0.00 H +ATOM 20455 H2 WAT 6462 7.481 42.288 63.625 1.00 0.00 H +TER +ATOM 20456 O WAT 6463 4.316 39.780 62.331 1.00 0.00 O +ATOM 20457 H1 WAT 6463 4.320 39.339 61.482 1.00 0.00 H +ATOM 20458 H2 WAT 6463 5.211 40.102 62.438 1.00 0.00 H +TER +ATOM 20459 O WAT 6464 4.378 40.781 55.322 1.00 0.00 O +ATOM 20460 H1 WAT 6464 4.499 40.740 56.270 1.00 0.00 H +ATOM 20461 H2 WAT 6464 3.993 41.644 55.166 1.00 0.00 H +TER +ATOM 20462 O WAT 6465 8.341 38.558 63.338 1.00 0.00 O +ATOM 20463 H1 WAT 6465 8.358 39.009 64.182 1.00 0.00 H +ATOM 20464 H2 WAT 6465 8.093 37.658 63.551 1.00 0.00 H +TER +ATOM 20465 O WAT 6466 3.390 43.091 54.720 1.00 0.00 O +ATOM 20466 H1 WAT 6466 2.822 42.643 54.094 1.00 0.00 H +ATOM 20467 H2 WAT 6466 4.099 43.451 54.187 1.00 0.00 H +TER +ATOM 20468 O WAT 6467 4.617 43.840 64.078 1.00 0.00 O +ATOM 20469 H1 WAT 6467 4.984 43.366 64.824 1.00 0.00 H +ATOM 20470 H2 WAT 6467 4.427 44.714 64.418 1.00 0.00 H +TER +ATOM 20471 O WAT 6468 11.694 46.084 62.785 1.00 0.00 O +ATOM 20472 H1 WAT 6468 12.414 46.579 62.395 1.00 0.00 H +ATOM 20473 H2 WAT 6468 11.492 45.405 62.141 1.00 0.00 H +TER +ATOM 20474 O WAT 6469 7.155 37.477 56.928 1.00 0.00 O +ATOM 20475 H1 WAT 6469 6.341 36.979 56.853 1.00 0.00 H +ATOM 20476 H2 WAT 6469 6.961 38.317 56.512 1.00 0.00 H +TER +ATOM 20477 O WAT 6470 9.870 41.849 55.225 1.00 0.00 O +ATOM 20478 H1 WAT 6470 10.758 42.161 55.050 1.00 0.00 H +ATOM 20479 H2 WAT 6470 9.840 40.977 54.833 1.00 0.00 H +TER +ATOM 20480 O WAT 6471 5.866 48.022 55.903 1.00 0.00 O +ATOM 20481 H1 WAT 6471 6.207 48.766 55.408 1.00 0.00 H +ATOM 20482 H2 WAT 6471 5.037 48.335 56.266 1.00 0.00 H +TER +ATOM 20483 O WAT 6472 12.141 43.161 54.692 1.00 0.00 O +ATOM 20484 H1 WAT 6472 12.057 43.592 53.842 1.00 0.00 H +ATOM 20485 H2 WAT 6472 12.861 43.620 55.125 1.00 0.00 H +TER +ATOM 20486 O WAT 6473 13.170 50.015 57.421 1.00 0.00 O +ATOM 20487 H1 WAT 6473 12.527 49.360 57.695 1.00 0.00 H +ATOM 20488 H2 WAT 6473 12.783 50.420 56.645 1.00 0.00 H +TER +ATOM 20489 O WAT 6474 8.748 47.343 61.268 1.00 0.00 O +ATOM 20490 H1 WAT 6474 9.101 46.746 60.608 1.00 0.00 H +ATOM 20491 H2 WAT 6474 7.865 47.018 61.439 1.00 0.00 H +TER +ATOM 20492 O WAT 6475 4.835 48.103 58.675 1.00 0.00 O +ATOM 20493 H1 WAT 6475 5.522 48.650 59.056 1.00 0.00 H +ATOM 20494 H2 WAT 6475 4.048 48.647 58.710 1.00 0.00 H +TER +ATOM 20495 O WAT 6476 4.138 45.108 58.287 1.00 0.00 O +ATOM 20496 H1 WAT 6476 4.594 45.918 58.513 1.00 0.00 H +ATOM 20497 H2 WAT 6476 3.786 44.790 59.119 1.00 0.00 H +TER +ATOM 20498 O WAT 6477 7.714 48.622 64.234 1.00 0.00 O +ATOM 20499 H1 WAT 6477 8.356 47.921 64.348 1.00 0.00 H +ATOM 20500 H2 WAT 6477 8.239 49.401 64.054 1.00 0.00 H +TER +ATOM 20501 O WAT 6478 11.560 48.906 53.958 1.00 0.00 O +ATOM 20502 H1 WAT 6478 11.333 48.190 54.551 1.00 0.00 H +ATOM 20503 H2 WAT 6478 11.169 48.658 53.121 1.00 0.00 H +TER +ATOM 20504 O WAT 6479 11.141 46.824 55.620 1.00 0.00 O +ATOM 20505 H1 WAT 6479 10.853 47.285 56.408 1.00 0.00 H +ATOM 20506 H2 WAT 6479 11.936 46.363 55.888 1.00 0.00 H +TER +ATOM 20507 O WAT 6480 3.358 50.316 55.550 1.00 0.00 O +ATOM 20508 H1 WAT 6480 3.349 51.049 54.935 1.00 0.00 H +ATOM 20509 H2 WAT 6480 2.438 50.069 55.643 1.00 0.00 H +TER +ATOM 20510 O WAT 6481 11.898 38.659 56.779 1.00 0.00 O +ATOM 20511 H1 WAT 6481 11.269 38.763 56.065 1.00 0.00 H +ATOM 20512 H2 WAT 6481 11.403 38.878 57.569 1.00 0.00 H +TER +ATOM 20513 O WAT 6482 6.344 50.379 54.213 1.00 0.00 O +ATOM 20514 H1 WAT 6482 6.445 50.176 53.283 1.00 0.00 H +ATOM 20515 H2 WAT 6482 5.444 50.125 54.417 1.00 0.00 H +TER +ATOM 20516 O WAT 6483 3.867 40.937 58.195 1.00 0.00 O +ATOM 20517 H1 WAT 6483 3.158 41.406 58.636 1.00 0.00 H +ATOM 20518 H2 WAT 6483 4.151 40.279 58.830 1.00 0.00 H +TER +ATOM 20519 O WAT 6484 7.898 37.662 59.635 1.00 0.00 O +ATOM 20520 H1 WAT 6484 7.775 37.681 58.686 1.00 0.00 H +ATOM 20521 H2 WAT 6484 8.847 37.710 59.754 1.00 0.00 H +TER +ATOM 20522 O WAT 6485 4.986 52.898 58.907 1.00 0.00 O +ATOM 20523 H1 WAT 6485 5.240 52.860 57.985 1.00 0.00 H +ATOM 20524 H2 WAT 6485 4.037 52.771 58.900 1.00 0.00 H +TER +ATOM 20525 O WAT 6486 10.991 43.817 60.483 1.00 0.00 O +ATOM 20526 H1 WAT 6486 10.050 43.832 60.658 1.00 0.00 H +ATOM 20527 H2 WAT 6486 11.305 43.031 60.929 1.00 0.00 H +TER +ATOM 20528 O WAT 6487 12.994 50.988 62.159 1.00 0.00 O +ATOM 20529 H1 WAT 6487 13.118 51.811 62.631 1.00 0.00 H +ATOM 20530 H2 WAT 6487 13.860 50.777 61.811 1.00 0.00 H +TER +ATOM 20531 O WAT 6488 3.576 52.254 53.653 1.00 0.00 O +ATOM 20532 H1 WAT 6488 4.368 52.543 53.201 1.00 0.00 H +ATOM 20533 H2 WAT 6488 3.056 51.823 52.974 1.00 0.00 H +TER +ATOM 20534 O WAT 6489 12.629 51.481 55.077 1.00 0.00 O +ATOM 20535 H1 WAT 6489 12.343 51.067 54.262 1.00 0.00 H +ATOM 20536 H2 WAT 6489 12.431 52.410 54.957 1.00 0.00 H +TER +ATOM 20537 O WAT 6490 4.093 47.474 53.517 1.00 0.00 O +ATOM 20538 H1 WAT 6490 3.988 46.860 54.243 1.00 0.00 H +ATOM 20539 H2 WAT 6490 3.926 46.951 52.734 1.00 0.00 H +TER +ATOM 20540 O WAT 6491 7.334 46.536 54.121 1.00 0.00 O +ATOM 20541 H1 WAT 6491 6.785 46.983 54.766 1.00 0.00 H +ATOM 20542 H2 WAT 6491 7.956 46.031 54.645 1.00 0.00 H +TER +ATOM 20543 O WAT 6492 3.001 45.495 56.018 1.00 0.00 O +ATOM 20544 H1 WAT 6492 3.423 45.329 56.861 1.00 0.00 H +ATOM 20545 H2 WAT 6492 3.126 44.685 55.523 1.00 0.00 H +TER +ATOM 20546 O WAT 6493 5.514 44.519 53.266 1.00 0.00 O +ATOM 20547 H1 WAT 6493 6.034 43.804 52.900 1.00 0.00 H +ATOM 20548 H2 WAT 6493 6.161 45.158 53.566 1.00 0.00 H +TER +ATOM 20549 O WAT 6494 9.376 36.380 55.492 1.00 0.00 O +ATOM 20550 H1 WAT 6494 9.656 35.536 55.848 1.00 0.00 H +ATOM 20551 H2 WAT 6494 8.602 36.612 56.006 1.00 0.00 H +TER +ATOM 20552 O WAT 6495 3.914 37.612 53.937 1.00 0.00 O +ATOM 20553 H1 WAT 6495 3.566 36.935 53.357 1.00 0.00 H +ATOM 20554 H2 WAT 6495 4.115 37.151 54.752 1.00 0.00 H +TER +ATOM 20555 O WAT 6496 6.079 52.600 55.556 1.00 0.00 O +ATOM 20556 H1 WAT 6496 6.974 52.939 55.578 1.00 0.00 H +ATOM 20557 H2 WAT 6496 6.110 51.878 54.928 1.00 0.00 H +TER +ATOM 20558 O WAT 6497 14.298 48.872 53.599 1.00 0.00 O +ATOM 20559 H1 WAT 6497 13.468 48.940 54.070 1.00 0.00 H +ATOM 20560 H2 WAT 6497 14.475 49.763 53.296 1.00 0.00 H +TER +ATOM 20561 O WAT 6498 13.754 45.617 56.103 1.00 0.00 O +ATOM 20562 H1 WAT 6498 14.516 46.187 56.209 1.00 0.00 H +ATOM 20563 H2 WAT 6498 13.769 45.050 56.874 1.00 0.00 H +TER +ATOM 20564 O WAT 6499 14.760 46.472 60.947 1.00 0.00 O +ATOM 20565 H1 WAT 6499 15.131 45.689 60.541 1.00 0.00 H +ATOM 20566 H2 WAT 6499 15.400 47.161 60.769 1.00 0.00 H +TER +ATOM 20567 O WAT 6500 13.806 45.911 53.260 1.00 0.00 O +ATOM 20568 H1 WAT 6500 14.081 46.819 53.132 1.00 0.00 H +ATOM 20569 H2 WAT 6500 13.617 45.847 54.196 1.00 0.00 H +TER +ATOM 20570 O WAT 6501 10.203 38.935 54.555 1.00 0.00 O +ATOM 20571 H1 WAT 6501 10.622 38.748 53.715 1.00 0.00 H +ATOM 20572 H2 WAT 6501 9.897 38.083 54.866 1.00 0.00 H +TER +ATOM 20573 O WAT 6502 13.702 43.848 58.253 1.00 0.00 O +ATOM 20574 H1 WAT 6502 13.327 43.080 57.821 1.00 0.00 H +ATOM 20575 H2 WAT 6502 12.973 44.230 58.741 1.00 0.00 H +TER +ATOM 20576 O WAT 6503 12.977 42.073 61.554 1.00 0.00 O +ATOM 20577 H1 WAT 6503 13.501 41.580 60.923 1.00 0.00 H +ATOM 20578 H2 WAT 6503 13.563 42.208 62.299 1.00 0.00 H +TER +ATOM 20579 O WAT 6504 13.156 42.157 65.076 1.00 0.00 O +ATOM 20580 H1 WAT 6504 12.207 42.124 65.190 1.00 0.00 H +ATOM 20581 H2 WAT 6504 13.338 43.067 64.841 1.00 0.00 H +TER +ATOM 20582 O WAT 6505 12.467 41.331 57.493 1.00 0.00 O +ATOM 20583 H1 WAT 6505 12.963 41.098 58.278 1.00 0.00 H +ATOM 20584 H2 WAT 6505 12.269 40.492 57.077 1.00 0.00 H +TER +ATOM 20585 O WAT 6506 13.896 39.967 60.027 1.00 0.00 O +ATOM 20586 H1 WAT 6506 13.786 39.812 60.965 1.00 0.00 H +ATOM 20587 H2 WAT 6506 14.657 39.439 59.784 1.00 0.00 H +TER +ATOM 20588 O WAT 6507 14.785 37.798 53.267 1.00 0.00 O +ATOM 20589 H1 WAT 6507 15.710 37.666 53.059 1.00 0.00 H +ATOM 20590 H2 WAT 6507 14.763 37.877 54.221 1.00 0.00 H +TER +ATOM 20591 O WAT 6508 14.859 38.569 55.893 1.00 0.00 O +ATOM 20592 H1 WAT 6508 14.064 38.503 56.422 1.00 0.00 H +ATOM 20593 H2 WAT 6508 15.063 39.504 55.882 1.00 0.00 H +TER +ATOM 20594 O WAT 6509 11.801 52.608 59.887 1.00 0.00 O +ATOM 20595 H1 WAT 6509 12.397 52.286 59.210 1.00 0.00 H +ATOM 20596 H2 WAT 6509 12.059 52.135 60.678 1.00 0.00 H +TER +ATOM 20597 O WAT 6510 3.408 50.595 65.637 1.00 0.00 O +ATOM 20598 H1 WAT 6510 3.167 50.863 64.750 1.00 0.00 H +ATOM 20599 H2 WAT 6510 4.348 50.766 65.692 1.00 0.00 H +TER +ATOM 20600 O WAT 6511 12.352 53.257 63.717 1.00 0.00 O +ATOM 20601 H1 WAT 6511 11.892 54.009 63.342 1.00 0.00 H +ATOM 20602 H2 WAT 6511 11.723 52.538 63.658 1.00 0.00 H +TER +ATOM 20603 O WAT 6512 2.782 51.566 62.891 1.00 0.00 O +ATOM 20604 H1 WAT 6512 3.298 50.955 62.366 1.00 0.00 H +ATOM 20605 H2 WAT 6512 3.431 52.069 63.383 1.00 0.00 H +TER +ATOM 20606 O WAT 6513 5.521 52.457 63.718 1.00 0.00 O +ATOM 20607 H1 WAT 6513 5.809 52.202 62.842 1.00 0.00 H +ATOM 20608 H2 WAT 6513 6.034 51.905 64.309 1.00 0.00 H +TER +ATOM 20609 O WAT 6514 6.739 36.196 64.298 1.00 0.00 O +ATOM 20610 H1 WAT 6514 5.956 36.671 64.578 1.00 0.00 H +ATOM 20611 H2 WAT 6514 6.445 35.291 64.189 1.00 0.00 H +TER +ATOM 20612 O WAT 6515 11.291 36.898 62.343 1.00 0.00 O +ATOM 20613 H1 WAT 6515 11.732 36.843 61.495 1.00 0.00 H +ATOM 20614 H2 WAT 6515 11.022 37.814 62.414 1.00 0.00 H +TER +ATOM 20615 O WAT 6516 13.155 36.530 60.354 1.00 0.00 O +ATOM 20616 H1 WAT 6516 13.094 35.586 60.207 1.00 0.00 H +ATOM 20617 H2 WAT 6516 13.934 36.638 60.899 1.00 0.00 H +TER +ATOM 20618 O WAT 6517 4.624 38.615 59.810 1.00 0.00 O +ATOM 20619 H1 WAT 6517 3.812 38.240 59.469 1.00 0.00 H +ATOM 20620 H2 WAT 6517 5.129 37.859 60.112 1.00 0.00 H +TER +ATOM 20621 O WAT 6518 9.127 35.279 61.048 1.00 0.00 O +ATOM 20622 H1 WAT 6518 9.730 35.851 61.523 1.00 0.00 H +ATOM 20623 H2 WAT 6518 8.386 35.843 60.825 1.00 0.00 H +TER +ATOM 20624 O WAT 6519 12.270 35.681 56.322 1.00 0.00 O +ATOM 20625 H1 WAT 6519 12.465 36.579 56.589 1.00 0.00 H +ATOM 20626 H2 WAT 6519 11.483 35.450 56.815 1.00 0.00 H +TER +ATOM 20627 O WAT 6520 2.649 36.765 58.414 1.00 0.00 O +ATOM 20628 H1 WAT 6520 2.020 36.063 58.581 1.00 0.00 H +ATOM 20629 H2 WAT 6520 2.110 37.525 58.197 1.00 0.00 H +TER +ATOM 20630 O WAT 6521 13.823 52.921 58.083 1.00 0.00 O +ATOM 20631 H1 WAT 6521 13.998 52.235 57.439 1.00 0.00 H +ATOM 20632 H2 WAT 6521 13.125 53.446 57.690 1.00 0.00 H +TER +ATOM 20633 O WAT 6522 8.282 43.478 41.791 1.00 0.00 O +ATOM 20634 H1 WAT 6522 8.202 42.563 41.520 1.00 0.00 H +ATOM 20635 H2 WAT 6522 7.869 43.974 41.085 1.00 0.00 H +TER +ATOM 20636 O WAT 6523 6.414 45.256 43.672 1.00 0.00 O +ATOM 20637 H1 WAT 6523 5.638 44.776 43.962 1.00 0.00 H +ATOM 20638 H2 WAT 6523 7.065 44.576 43.497 1.00 0.00 H +TER +ATOM 20639 O WAT 6524 10.435 49.662 42.452 1.00 0.00 O +ATOM 20640 H1 WAT 6524 9.973 48.890 42.780 1.00 0.00 H +ATOM 20641 H2 WAT 6524 11.247 49.688 42.957 1.00 0.00 H +TER +ATOM 20642 O WAT 6525 6.661 51.947 42.072 1.00 0.00 O +ATOM 20643 H1 WAT 6525 6.042 52.403 41.502 1.00 0.00 H +ATOM 20644 H2 WAT 6525 7.516 52.103 41.671 1.00 0.00 H +TER +ATOM 20645 O WAT 6526 5.855 47.931 43.679 1.00 0.00 O +ATOM 20646 H1 WAT 6526 5.786 46.990 43.518 1.00 0.00 H +ATOM 20647 H2 WAT 6526 6.617 48.021 44.251 1.00 0.00 H +TER +ATOM 20648 O WAT 6527 6.885 40.738 43.906 1.00 0.00 O +ATOM 20649 H1 WAT 6527 7.262 39.865 43.793 1.00 0.00 H +ATOM 20650 H2 WAT 6527 6.787 41.074 43.015 1.00 0.00 H +TER +ATOM 20651 O WAT 6528 10.668 38.233 40.839 1.00 0.00 O +ATOM 20652 H1 WAT 6528 11.489 37.743 40.881 1.00 0.00 H +ATOM 20653 H2 WAT 6528 10.701 38.823 41.592 1.00 0.00 H +TER +ATOM 20654 O WAT 6529 2.857 42.079 43.700 1.00 0.00 O +ATOM 20655 H1 WAT 6529 3.365 42.578 44.341 1.00 0.00 H +ATOM 20656 H2 WAT 6529 3.388 41.303 43.524 1.00 0.00 H +TER +ATOM 20657 O WAT 6530 14.958 40.250 47.403 1.00 0.00 O +ATOM 20658 H1 WAT 6530 14.253 40.638 46.884 1.00 0.00 H +ATOM 20659 H2 WAT 6530 15.224 40.945 48.005 1.00 0.00 H +TER +ATOM 20660 O WAT 6531 7.527 46.831 39.465 1.00 0.00 O +ATOM 20661 H1 WAT 6531 6.909 47.296 38.902 1.00 0.00 H +ATOM 20662 H2 WAT 6531 8.040 47.524 39.882 1.00 0.00 H +TER +ATOM 20663 O WAT 6532 2.391 46.359 46.144 1.00 0.00 O +ATOM 20664 H1 WAT 6532 2.058 46.986 46.786 1.00 0.00 H +ATOM 20665 H2 WAT 6532 2.567 46.885 45.364 1.00 0.00 H +TER +ATOM 20666 O WAT 6533 10.904 40.173 43.611 1.00 0.00 O +ATOM 20667 H1 WAT 6533 10.200 40.462 44.192 1.00 0.00 H +ATOM 20668 H2 WAT 6533 11.265 40.983 43.251 1.00 0.00 H +TER +ATOM 20669 O WAT 6534 12.520 49.791 45.874 1.00 0.00 O +ATOM 20670 H1 WAT 6534 11.837 50.461 45.866 1.00 0.00 H +ATOM 20671 H2 WAT 6534 13.060 49.989 45.109 1.00 0.00 H +TER +ATOM 20672 O WAT 6535 13.973 39.619 44.002 1.00 0.00 O +ATOM 20673 H1 WAT 6535 13.025 39.653 44.134 1.00 0.00 H +ATOM 20674 H2 WAT 6535 14.298 40.433 44.387 1.00 0.00 H +TER +ATOM 20675 O WAT 6536 4.505 35.919 42.298 1.00 0.00 O +ATOM 20676 H1 WAT 6536 4.812 35.363 41.581 1.00 0.00 H +ATOM 20677 H2 WAT 6536 3.575 36.053 42.115 1.00 0.00 H +TER +ATOM 20678 O WAT 6537 10.056 51.635 44.589 1.00 0.00 O +ATOM 20679 H1 WAT 6537 10.069 51.232 43.721 1.00 0.00 H +ATOM 20680 H2 WAT 6537 9.504 52.410 44.485 1.00 0.00 H +TER +ATOM 20681 O WAT 6538 11.351 48.357 39.678 1.00 0.00 O +ATOM 20682 H1 WAT 6538 11.240 47.414 39.803 1.00 0.00 H +ATOM 20683 H2 WAT 6538 11.347 48.718 40.564 1.00 0.00 H +TER +ATOM 20684 O WAT 6539 9.455 46.538 45.917 1.00 0.00 O +ATOM 20685 H1 WAT 6539 9.872 46.324 45.082 1.00 0.00 H +ATOM 20686 H2 WAT 6539 10.179 46.796 46.488 1.00 0.00 H +TER +ATOM 20687 O WAT 6540 6.893 43.983 39.034 1.00 0.00 O +ATOM 20688 H1 WAT 6540 5.966 43.917 39.263 1.00 0.00 H +ATOM 20689 H2 WAT 6540 7.045 44.921 38.919 1.00 0.00 H +TER +ATOM 20690 O WAT 6541 6.880 40.255 36.031 1.00 0.00 O +ATOM 20691 H1 WAT 6541 5.940 40.417 36.116 1.00 0.00 H +ATOM 20692 H2 WAT 6541 7.198 40.974 35.484 1.00 0.00 H +TER +ATOM 20693 O WAT 6542 13.401 44.937 46.008 1.00 0.00 O +ATOM 20694 H1 WAT 6542 12.573 45.006 45.534 1.00 0.00 H +ATOM 20695 H2 WAT 6542 13.996 45.522 45.540 1.00 0.00 H +TER +ATOM 20696 O WAT 6543 10.922 45.545 39.537 1.00 0.00 O +ATOM 20697 H1 WAT 6543 10.304 45.207 38.890 1.00 0.00 H +ATOM 20698 H2 WAT 6543 10.905 44.901 40.245 1.00 0.00 H +TER +ATOM 20699 O WAT 6544 10.365 41.724 46.954 1.00 0.00 O +ATOM 20700 H1 WAT 6544 9.952 42.549 47.208 1.00 0.00 H +ATOM 20701 H2 WAT 6544 9.633 41.138 46.762 1.00 0.00 H +TER +ATOM 20702 O WAT 6545 2.498 44.510 41.816 1.00 0.00 O +ATOM 20703 H1 WAT 6545 2.094 43.798 41.320 1.00 0.00 H +ATOM 20704 H2 WAT 6545 2.585 44.165 42.705 1.00 0.00 H +TER +ATOM 20705 O WAT 6546 2.967 48.197 43.980 1.00 0.00 O +ATOM 20706 H1 WAT 6546 2.669 47.591 43.301 1.00 0.00 H +ATOM 20707 H2 WAT 6546 3.917 48.234 43.869 1.00 0.00 H +TER +ATOM 20708 O WAT 6547 11.055 51.770 47.642 1.00 0.00 O +ATOM 20709 H1 WAT 6547 10.578 52.577 47.449 1.00 0.00 H +ATOM 20710 H2 WAT 6547 10.371 51.118 47.795 1.00 0.00 H +TER +ATOM 20711 O WAT 6548 9.099 44.784 36.545 1.00 0.00 O +ATOM 20712 H1 WAT 6548 9.538 43.946 36.398 1.00 0.00 H +ATOM 20713 H2 WAT 6548 9.812 45.417 36.631 1.00 0.00 H +TER +ATOM 20714 O WAT 6549 7.208 49.724 40.513 1.00 0.00 O +ATOM 20715 H1 WAT 6549 7.648 50.466 40.098 1.00 0.00 H +ATOM 20716 H2 WAT 6549 7.147 49.966 41.437 1.00 0.00 H +TER +ATOM 20717 O WAT 6550 2.684 50.748 51.415 1.00 0.00 O +ATOM 20718 H1 WAT 6550 2.655 51.153 50.548 1.00 0.00 H +ATOM 20719 H2 WAT 6550 2.520 49.819 51.252 1.00 0.00 H +TER +ATOM 20720 O WAT 6551 12.681 36.038 34.859 1.00 0.00 O +ATOM 20721 H1 WAT 6551 12.368 36.131 35.759 1.00 0.00 H +ATOM 20722 H2 WAT 6551 13.442 36.617 34.809 1.00 0.00 H +TER +ATOM 20723 O WAT 6552 14.635 51.531 52.711 1.00 0.00 O +ATOM 20724 H1 WAT 6552 15.111 52.009 53.390 1.00 0.00 H +ATOM 20725 H2 WAT 6552 15.256 51.463 51.986 1.00 0.00 H +TER +ATOM 20726 O WAT 6553 14.038 48.722 49.871 1.00 0.00 O +ATOM 20727 H1 WAT 6553 14.165 48.484 48.953 1.00 0.00 H +ATOM 20728 H2 WAT 6553 14.080 47.891 50.343 1.00 0.00 H +TER +ATOM 20729 O WAT 6554 7.900 52.425 48.441 1.00 0.00 O +ATOM 20730 H1 WAT 6554 8.414 52.336 49.243 1.00 0.00 H +ATOM 20731 H2 WAT 6554 7.057 52.771 48.733 1.00 0.00 H +TER +ATOM 20732 O WAT 6555 9.875 52.711 37.869 1.00 0.00 O +ATOM 20733 H1 WAT 6555 9.716 52.421 38.767 1.00 0.00 H +ATOM 20734 H2 WAT 6555 9.710 51.935 37.334 1.00 0.00 H +TER +ATOM 20735 O WAT 6556 9.578 50.219 36.429 1.00 0.00 O +ATOM 20736 H1 WAT 6556 8.885 50.217 35.769 1.00 0.00 H +ATOM 20737 H2 WAT 6556 10.320 49.795 35.998 1.00 0.00 H +TER +ATOM 20738 O WAT 6557 9.143 51.846 40.504 1.00 0.00 O +ATOM 20739 H1 WAT 6557 9.599 51.065 40.818 1.00 0.00 H +ATOM 20740 H2 WAT 6557 9.482 52.556 41.048 1.00 0.00 H +TER +ATOM 20741 O WAT 6558 13.891 40.776 50.836 1.00 0.00 O +ATOM 20742 H1 WAT 6558 13.275 41.284 50.308 1.00 0.00 H +ATOM 20743 H2 WAT 6558 13.570 39.875 50.779 1.00 0.00 H +TER +ATOM 20744 O WAT 6559 5.952 39.615 48.302 1.00 0.00 O +ATOM 20745 H1 WAT 6559 5.490 39.823 49.114 1.00 0.00 H +ATOM 20746 H2 WAT 6559 5.550 38.801 47.999 1.00 0.00 H +TER +ATOM 20747 O WAT 6560 10.953 40.836 49.432 1.00 0.00 O +ATOM 20748 H1 WAT 6560 10.102 40.536 49.753 1.00 0.00 H +ATOM 20749 H2 WAT 6560 10.793 41.080 48.520 1.00 0.00 H +TER +ATOM 20750 O WAT 6561 8.048 42.336 51.532 1.00 0.00 O +ATOM 20751 H1 WAT 6561 8.373 41.502 51.192 1.00 0.00 H +ATOM 20752 H2 WAT 6561 8.836 42.859 51.680 1.00 0.00 H +TER +ATOM 20753 O WAT 6562 4.781 36.369 37.579 1.00 0.00 O +ATOM 20754 H1 WAT 6562 4.156 36.365 38.305 1.00 0.00 H +ATOM 20755 H2 WAT 6562 4.694 35.502 37.183 1.00 0.00 H +TER +ATOM 20756 O WAT 6563 3.703 37.293 44.558 1.00 0.00 O +ATOM 20757 H1 WAT 6563 4.000 38.199 44.477 1.00 0.00 H +ATOM 20758 H2 WAT 6563 4.251 36.805 43.944 1.00 0.00 H +TER +ATOM 20759 O WAT 6564 8.686 41.878 39.026 1.00 0.00 O +ATOM 20760 H1 WAT 6564 8.087 42.601 38.842 1.00 0.00 H +ATOM 20761 H2 WAT 6564 9.234 41.815 38.244 1.00 0.00 H +TER +ATOM 20762 O WAT 6565 3.897 42.770 51.093 1.00 0.00 O +ATOM 20763 H1 WAT 6565 3.801 41.829 50.943 1.00 0.00 H +ATOM 20764 H2 WAT 6565 4.740 42.991 50.698 1.00 0.00 H +TER +ATOM 20765 O WAT 6566 7.293 40.514 41.056 1.00 0.00 O +ATOM 20766 H1 WAT 6566 7.686 40.831 40.243 1.00 0.00 H +ATOM 20767 H2 WAT 6566 7.655 39.635 41.171 1.00 0.00 H +TER +ATOM 20768 O WAT 6567 5.602 39.265 52.316 1.00 0.00 O +ATOM 20769 H1 WAT 6567 4.912 39.072 52.951 1.00 0.00 H +ATOM 20770 H2 WAT 6567 6.345 39.548 52.849 1.00 0.00 H +TER +ATOM 20771 O WAT 6568 7.878 43.105 45.151 1.00 0.00 O +ATOM 20772 H1 WAT 6568 7.147 43.613 45.500 1.00 0.00 H +ATOM 20773 H2 WAT 6568 7.481 42.288 44.850 1.00 0.00 H +TER +ATOM 20774 O WAT 6569 4.316 39.780 43.557 1.00 0.00 O +ATOM 20775 H1 WAT 6569 4.320 39.339 42.707 1.00 0.00 H +ATOM 20776 H2 WAT 6569 5.211 40.102 43.664 1.00 0.00 H +TER +ATOM 20777 O WAT 6570 4.378 40.781 36.547 1.00 0.00 O +ATOM 20778 H1 WAT 6570 4.499 40.740 37.496 1.00 0.00 H +ATOM 20779 H2 WAT 6570 3.993 41.644 36.392 1.00 0.00 H +TER +ATOM 20780 O WAT 6571 8.341 38.558 44.564 1.00 0.00 O +ATOM 20781 H1 WAT 6571 8.358 39.009 45.408 1.00 0.00 H +ATOM 20782 H2 WAT 6571 8.093 37.658 44.777 1.00 0.00 H +TER +ATOM 20783 O WAT 6572 3.390 43.091 35.946 1.00 0.00 O +ATOM 20784 H1 WAT 6572 2.822 42.643 35.319 1.00 0.00 H +ATOM 20785 H2 WAT 6572 4.099 43.451 35.412 1.00 0.00 H +TER +ATOM 20786 O WAT 6573 11.768 35.971 50.402 1.00 0.00 O +ATOM 20787 H1 WAT 6573 12.093 35.240 50.928 1.00 0.00 H +ATOM 20788 H2 WAT 6573 11.804 35.653 49.501 1.00 0.00 H +TER +ATOM 20789 O WAT 6574 4.617 43.840 45.303 1.00 0.00 O +ATOM 20790 H1 WAT 6574 4.984 43.366 46.049 1.00 0.00 H +ATOM 20791 H2 WAT 6574 4.427 44.714 45.644 1.00 0.00 H +TER +ATOM 20792 O WAT 6575 2.407 42.881 47.622 1.00 0.00 O +ATOM 20793 H1 WAT 6575 2.103 43.760 47.847 1.00 0.00 H +ATOM 20794 H2 WAT 6575 3.362 42.941 47.657 1.00 0.00 H +TER +ATOM 20795 O WAT 6576 11.694 46.084 44.011 1.00 0.00 O +ATOM 20796 H1 WAT 6576 12.414 46.579 43.621 1.00 0.00 H +ATOM 20797 H2 WAT 6576 11.492 45.405 43.366 1.00 0.00 H +TER +ATOM 20798 O WAT 6577 7.155 37.477 38.154 1.00 0.00 O +ATOM 20799 H1 WAT 6577 6.341 36.979 38.078 1.00 0.00 H +ATOM 20800 H2 WAT 6577 6.961 38.317 37.738 1.00 0.00 H +TER +ATOM 20801 O WAT 6578 7.076 46.155 49.898 1.00 0.00 O +ATOM 20802 H1 WAT 6578 7.009 45.234 49.644 1.00 0.00 H +ATOM 20803 H2 WAT 6578 6.446 46.252 50.612 1.00 0.00 H +TER +ATOM 20804 O WAT 6579 9.870 41.849 36.450 1.00 0.00 O +ATOM 20805 H1 WAT 6579 10.758 42.161 36.275 1.00 0.00 H +ATOM 20806 H2 WAT 6579 9.840 40.977 36.058 1.00 0.00 H +TER +ATOM 20807 O WAT 6580 5.866 48.022 37.129 1.00 0.00 O +ATOM 20808 H1 WAT 6580 6.207 48.766 36.633 1.00 0.00 H +ATOM 20809 H2 WAT 6580 5.037 48.335 37.491 1.00 0.00 H +TER +ATOM 20810 O WAT 6581 7.007 48.977 49.648 1.00 0.00 O +ATOM 20811 H1 WAT 6581 7.022 48.045 49.430 1.00 0.00 H +ATOM 20812 H2 WAT 6581 6.300 49.063 50.287 1.00 0.00 H +TER +ATOM 20813 O WAT 6582 12.141 43.161 35.918 1.00 0.00 O +ATOM 20814 H1 WAT 6582 12.057 43.592 35.068 1.00 0.00 H +ATOM 20815 H2 WAT 6582 12.861 43.620 36.351 1.00 0.00 H +TER +ATOM 20816 O WAT 6583 13.219 45.617 48.995 1.00 0.00 O +ATOM 20817 H1 WAT 6583 12.493 46.210 48.798 1.00 0.00 H +ATOM 20818 H2 WAT 6583 13.746 45.610 48.196 1.00 0.00 H +TER +ATOM 20819 O WAT 6584 13.170 50.015 38.646 1.00 0.00 O +ATOM 20820 H1 WAT 6584 12.527 49.360 38.921 1.00 0.00 H +ATOM 20821 H2 WAT 6584 12.783 50.420 37.870 1.00 0.00 H +TER +ATOM 20822 O WAT 6585 8.748 47.343 42.494 1.00 0.00 O +ATOM 20823 H1 WAT 6585 9.101 46.746 41.834 1.00 0.00 H +ATOM 20824 H2 WAT 6585 7.865 47.018 42.664 1.00 0.00 H +TER +ATOM 20825 O WAT 6586 4.835 48.103 39.901 1.00 0.00 O +ATOM 20826 H1 WAT 6586 5.522 48.650 40.281 1.00 0.00 H +ATOM 20827 H2 WAT 6586 4.048 48.647 39.936 1.00 0.00 H +TER +ATOM 20828 O WAT 6587 4.138 45.108 39.513 1.00 0.00 O +ATOM 20829 H1 WAT 6587 4.594 45.918 39.739 1.00 0.00 H +ATOM 20830 H2 WAT 6587 3.786 44.790 40.345 1.00 0.00 H +TER +ATOM 20831 O WAT 6588 6.441 50.618 46.742 1.00 0.00 O +ATOM 20832 H1 WAT 6588 7.085 50.824 47.420 1.00 0.00 H +ATOM 20833 H2 WAT 6588 6.804 49.857 46.289 1.00 0.00 H +TER +ATOM 20834 O WAT 6589 7.714 48.622 45.460 1.00 0.00 O +ATOM 20835 H1 WAT 6589 8.356 47.921 45.573 1.00 0.00 H +ATOM 20836 H2 WAT 6589 8.239 49.401 45.280 1.00 0.00 H +TER +ATOM 20837 O WAT 6590 11.560 48.906 35.184 1.00 0.00 O +ATOM 20838 H1 WAT 6590 11.333 48.190 35.776 1.00 0.00 H +ATOM 20839 H2 WAT 6590 11.169 48.658 34.346 1.00 0.00 H +TER +ATOM 20840 O WAT 6591 9.488 49.421 48.664 1.00 0.00 O +ATOM 20841 H1 WAT 6591 9.823 50.008 49.341 1.00 0.00 H +ATOM 20842 H2 WAT 6591 8.568 49.290 48.893 1.00 0.00 H +TER +ATOM 20843 O WAT 6592 11.141 46.824 36.845 1.00 0.00 O +ATOM 20844 H1 WAT 6592 10.853 47.285 37.633 1.00 0.00 H +ATOM 20845 H2 WAT 6592 11.936 46.363 37.114 1.00 0.00 H +TER +ATOM 20846 O WAT 6593 5.317 49.470 51.832 1.00 0.00 O +ATOM 20847 H1 WAT 6593 4.996 48.751 52.377 1.00 0.00 H +ATOM 20848 H2 WAT 6593 4.642 50.146 51.906 1.00 0.00 H +TER +ATOM 20849 O WAT 6594 3.358 50.316 36.776 1.00 0.00 O +ATOM 20850 H1 WAT 6594 3.349 51.049 36.160 1.00 0.00 H +ATOM 20851 H2 WAT 6594 2.438 50.069 36.869 1.00 0.00 H +TER +ATOM 20852 O WAT 6595 8.532 39.703 47.196 1.00 0.00 O +ATOM 20853 H1 WAT 6595 8.900 38.882 47.524 1.00 0.00 H +ATOM 20854 H2 WAT 6595 7.672 39.763 47.612 1.00 0.00 H +TER +ATOM 20855 O WAT 6596 11.898 38.659 38.005 1.00 0.00 O +ATOM 20856 H1 WAT 6596 11.269 38.763 37.291 1.00 0.00 H +ATOM 20857 H2 WAT 6596 11.403 38.878 38.794 1.00 0.00 H +TER +ATOM 20858 O WAT 6597 6.344 50.379 35.438 1.00 0.00 O +ATOM 20859 H1 WAT 6597 6.445 50.176 34.509 1.00 0.00 H +ATOM 20860 H2 WAT 6597 5.444 50.125 35.643 1.00 0.00 H +TER +ATOM 20861 O WAT 6598 3.867 40.937 39.421 1.00 0.00 O +ATOM 20862 H1 WAT 6598 3.158 41.406 39.862 1.00 0.00 H +ATOM 20863 H2 WAT 6598 4.151 40.279 40.055 1.00 0.00 H +TER +ATOM 20864 O WAT 6599 5.492 42.357 47.420 1.00 0.00 O +ATOM 20865 H1 WAT 6599 5.991 42.831 48.085 1.00 0.00 H +ATOM 20866 H2 WAT 6599 5.634 41.433 47.627 1.00 0.00 H +TER +ATOM 20867 O WAT 6600 7.898 37.662 40.860 1.00 0.00 O +ATOM 20868 H1 WAT 6600 7.775 37.681 39.911 1.00 0.00 H +ATOM 20869 H2 WAT 6600 8.847 37.710 40.980 1.00 0.00 H +TER +ATOM 20870 O WAT 6601 4.986 52.898 40.133 1.00 0.00 O +ATOM 20871 H1 WAT 6601 5.240 52.860 39.211 1.00 0.00 H +ATOM 20872 H2 WAT 6601 4.037 52.771 40.126 1.00 0.00 H +TER +ATOM 20873 O WAT 6602 12.699 38.574 48.263 1.00 0.00 O +ATOM 20874 H1 WAT 6602 12.196 39.314 48.602 1.00 0.00 H +ATOM 20875 H2 WAT 6602 13.515 38.962 47.946 1.00 0.00 H +TER +ATOM 20876 O WAT 6603 10.991 43.817 41.709 1.00 0.00 O +ATOM 20877 H1 WAT 6603 10.050 43.832 41.884 1.00 0.00 H +ATOM 20878 H2 WAT 6603 11.305 43.031 42.155 1.00 0.00 H +TER +ATOM 20879 O WAT 6604 12.994 50.988 43.384 1.00 0.00 O +ATOM 20880 H1 WAT 6604 13.118 51.811 43.857 1.00 0.00 H +ATOM 20881 H2 WAT 6604 13.860 50.777 43.037 1.00 0.00 H +TER +ATOM 20882 O WAT 6605 3.576 52.254 34.879 1.00 0.00 O +ATOM 20883 H1 WAT 6605 4.368 52.543 34.427 1.00 0.00 H +ATOM 20884 H2 WAT 6605 3.056 51.823 34.200 1.00 0.00 H +TER +ATOM 20885 O WAT 6606 8.308 48.374 52.192 1.00 0.00 O +ATOM 20886 H1 WAT 6606 7.701 48.397 51.452 1.00 0.00 H +ATOM 20887 H2 WAT 6606 8.003 47.642 52.729 1.00 0.00 H +TER +ATOM 20888 O WAT 6607 9.738 52.102 50.803 1.00 0.00 O +ATOM 20889 H1 WAT 6607 10.690 52.017 50.753 1.00 0.00 H +ATOM 20890 H2 WAT 6607 9.591 52.766 51.477 1.00 0.00 H +TER +ATOM 20891 O WAT 6608 12.629 51.481 36.302 1.00 0.00 O +ATOM 20892 H1 WAT 6608 12.343 51.067 35.488 1.00 0.00 H +ATOM 20893 H2 WAT 6608 12.431 52.410 36.182 1.00 0.00 H +TER +ATOM 20894 O WAT 6609 4.093 47.474 34.743 1.00 0.00 O +ATOM 20895 H1 WAT 6609 3.988 46.860 35.469 1.00 0.00 H +ATOM 20896 H2 WAT 6609 3.926 46.951 33.959 1.00 0.00 H +TER +ATOM 20897 O WAT 6610 4.245 46.160 50.722 1.00 0.00 O +ATOM 20898 H1 WAT 6610 3.479 46.728 50.637 1.00 0.00 H +ATOM 20899 H2 WAT 6610 4.426 45.868 49.829 1.00 0.00 H +TER +ATOM 20900 O WAT 6611 7.334 46.536 35.347 1.00 0.00 O +ATOM 20901 H1 WAT 6611 6.785 46.983 35.991 1.00 0.00 H +ATOM 20902 H2 WAT 6611 7.956 46.031 35.871 1.00 0.00 H +TER +ATOM 20903 O WAT 6612 11.387 47.891 51.279 1.00 0.00 O +ATOM 20904 H1 WAT 6612 12.128 48.228 50.776 1.00 0.00 H +ATOM 20905 H2 WAT 6612 10.624 48.060 50.726 1.00 0.00 H +TER +ATOM 20906 O WAT 6613 3.001 45.495 37.244 1.00 0.00 O +ATOM 20907 H1 WAT 6613 3.423 45.329 38.087 1.00 0.00 H +ATOM 20908 H2 WAT 6613 3.126 44.685 36.749 1.00 0.00 H +TER +ATOM 20909 O WAT 6614 5.514 44.519 34.491 1.00 0.00 O +ATOM 20910 H1 WAT 6614 6.034 43.804 34.125 1.00 0.00 H +ATOM 20911 H2 WAT 6614 6.161 45.158 34.791 1.00 0.00 H +TER +ATOM 20912 O WAT 6615 10.062 45.942 49.815 1.00 0.00 O +ATOM 20913 H1 WAT 6615 10.476 46.097 50.664 1.00 0.00 H +ATOM 20914 H2 WAT 6615 9.127 46.068 49.977 1.00 0.00 H +TER +ATOM 20915 O WAT 6616 10.534 43.282 51.819 1.00 0.00 O +ATOM 20916 H1 WAT 6616 11.116 42.527 51.731 1.00 0.00 H +ATOM 20917 H2 WAT 6616 10.710 43.812 51.042 1.00 0.00 H +TER +ATOM 20918 O WAT 6617 4.417 36.999 47.163 1.00 0.00 O +ATOM 20919 H1 WAT 6617 3.969 37.021 46.318 1.00 0.00 H +ATOM 20920 H2 WAT 6617 3.784 36.601 47.760 1.00 0.00 H +TER +ATOM 20921 O WAT 6618 4.823 45.894 47.784 1.00 0.00 O +ATOM 20922 H1 WAT 6618 5.242 46.737 47.612 1.00 0.00 H +ATOM 20923 H2 WAT 6618 3.904 46.031 47.555 1.00 0.00 H +TER +ATOM 20924 O WAT 6619 7.160 43.626 49.168 1.00 0.00 O +ATOM 20925 H1 WAT 6619 7.279 43.030 49.908 1.00 0.00 H +ATOM 20926 H2 WAT 6619 8.019 43.663 48.748 1.00 0.00 H +TER +ATOM 20927 O WAT 6620 9.498 44.179 47.744 1.00 0.00 O +ATOM 20928 H1 WAT 6620 8.972 44.704 47.141 1.00 0.00 H +ATOM 20929 H2 WAT 6620 9.842 44.812 48.375 1.00 0.00 H +TER +ATOM 20930 O WAT 6621 2.674 52.199 48.900 1.00 0.00 O +ATOM 20931 H1 WAT 6621 2.136 52.924 48.581 1.00 0.00 H +ATOM 20932 H2 WAT 6621 2.927 51.722 48.110 1.00 0.00 H +TER +ATOM 20933 O WAT 6622 3.926 40.168 50.426 1.00 0.00 O +ATOM 20934 H1 WAT 6622 4.516 39.859 51.114 1.00 0.00 H +ATOM 20935 H2 WAT 6622 3.108 39.696 50.582 1.00 0.00 H +TER +ATOM 20936 O WAT 6623 8.746 39.784 50.659 1.00 0.00 O +ATOM 20937 H1 WAT 6623 8.057 39.123 50.594 1.00 0.00 H +ATOM 20938 H2 WAT 6623 9.466 39.338 51.104 1.00 0.00 H +TER +ATOM 20939 O WAT 6624 9.376 36.380 36.718 1.00 0.00 O +ATOM 20940 H1 WAT 6624 9.656 35.536 37.074 1.00 0.00 H +ATOM 20941 H2 WAT 6624 8.602 36.612 37.232 1.00 0.00 H +TER +ATOM 20942 O WAT 6625 5.530 53.434 49.159 1.00 0.00 O +ATOM 20943 H1 WAT 6625 5.456 54.338 49.466 1.00 0.00 H +ATOM 20944 H2 WAT 6625 4.628 53.116 49.131 1.00 0.00 H +TER +ATOM 20945 O WAT 6626 3.914 37.612 35.163 1.00 0.00 O +ATOM 20946 H1 WAT 6626 3.566 36.935 34.583 1.00 0.00 H +ATOM 20947 H2 WAT 6626 4.115 37.151 35.977 1.00 0.00 H +TER +ATOM 20948 O WAT 6627 6.079 52.600 36.781 1.00 0.00 O +ATOM 20949 H1 WAT 6627 6.974 52.939 36.803 1.00 0.00 H +ATOM 20950 H2 WAT 6627 6.110 51.878 36.154 1.00 0.00 H +TER +ATOM 20951 O WAT 6628 13.058 51.131 49.488 1.00 0.00 O +ATOM 20952 H1 WAT 6628 12.458 51.190 48.745 1.00 0.00 H +ATOM 20953 H2 WAT 6628 13.188 50.191 49.618 1.00 0.00 H +TER +ATOM 20954 O WAT 6629 14.298 48.872 34.825 1.00 0.00 O +ATOM 20955 H1 WAT 6629 13.468 48.940 35.296 1.00 0.00 H +ATOM 20956 H2 WAT 6629 14.475 49.763 34.522 1.00 0.00 H +TER +ATOM 20957 O WAT 6630 13.754 45.617 37.328 1.00 0.00 O +ATOM 20958 H1 WAT 6630 14.516 46.187 37.434 1.00 0.00 H +ATOM 20959 H2 WAT 6630 13.769 45.050 38.099 1.00 0.00 H +TER +ATOM 20960 O WAT 6631 14.760 46.472 42.173 1.00 0.00 O +ATOM 20961 H1 WAT 6631 15.131 45.689 41.766 1.00 0.00 H +ATOM 20962 H2 WAT 6631 15.400 47.161 41.994 1.00 0.00 H +TER +ATOM 20963 O WAT 6632 11.743 47.856 47.586 1.00 0.00 O +ATOM 20964 H1 WAT 6632 10.929 48.286 47.848 1.00 0.00 H +ATOM 20965 H2 WAT 6632 12.151 48.468 46.973 1.00 0.00 H +TER +ATOM 20966 O WAT 6633 10.203 38.935 35.781 1.00 0.00 O +ATOM 20967 H1 WAT 6633 10.622 38.748 34.941 1.00 0.00 H +ATOM 20968 H2 WAT 6633 9.897 38.083 36.091 1.00 0.00 H +TER +ATOM 20969 O WAT 6634 13.702 43.848 39.479 1.00 0.00 O +ATOM 20970 H1 WAT 6634 13.327 43.080 39.047 1.00 0.00 H +ATOM 20971 H2 WAT 6634 12.973 44.230 39.966 1.00 0.00 H +TER +ATOM 20972 O WAT 6635 13.092 42.995 49.113 1.00 0.00 O +ATOM 20973 H1 WAT 6635 12.861 42.766 48.212 1.00 0.00 H +ATOM 20974 H2 WAT 6635 13.353 43.915 49.067 1.00 0.00 H +TER +ATOM 20975 O WAT 6636 11.531 38.220 51.891 1.00 0.00 O +ATOM 20976 H1 WAT 6636 12.408 38.229 52.274 1.00 0.00 H +ATOM 20977 H2 WAT 6636 11.543 37.483 51.280 1.00 0.00 H +TER +ATOM 20978 O WAT 6637 12.977 42.073 42.779 1.00 0.00 O +ATOM 20979 H1 WAT 6637 13.501 41.580 42.148 1.00 0.00 H +ATOM 20980 H2 WAT 6637 13.563 42.208 43.524 1.00 0.00 H +TER +ATOM 20981 O WAT 6638 13.156 42.157 46.301 1.00 0.00 O +ATOM 20982 H1 WAT 6638 12.207 42.124 46.416 1.00 0.00 H +ATOM 20983 H2 WAT 6638 13.338 43.067 46.066 1.00 0.00 H +TER +ATOM 20984 O WAT 6639 12.467 41.331 38.719 1.00 0.00 O +ATOM 20985 H1 WAT 6639 12.963 41.098 39.504 1.00 0.00 H +ATOM 20986 H2 WAT 6639 12.269 40.492 38.302 1.00 0.00 H +TER +ATOM 20987 O WAT 6640 13.896 39.967 41.252 1.00 0.00 O +ATOM 20988 H1 WAT 6640 13.786 39.812 42.191 1.00 0.00 H +ATOM 20989 H2 WAT 6640 14.657 39.439 41.010 1.00 0.00 H +TER +ATOM 20990 O WAT 6641 12.243 35.906 47.711 1.00 0.00 O +ATOM 20991 H1 WAT 6641 12.880 36.520 48.077 1.00 0.00 H +ATOM 20992 H2 WAT 6641 12.390 35.942 46.766 1.00 0.00 H +TER +ATOM 20993 O WAT 6642 14.785 37.798 34.493 1.00 0.00 O +ATOM 20994 H1 WAT 6642 15.710 37.666 34.285 1.00 0.00 H +ATOM 20995 H2 WAT 6642 14.763 37.877 35.447 1.00 0.00 H +TER +ATOM 20996 O WAT 6643 14.859 38.569 37.119 1.00 0.00 O +ATOM 20997 H1 WAT 6643 14.064 38.503 37.648 1.00 0.00 H +ATOM 20998 H2 WAT 6643 15.063 39.504 37.107 1.00 0.00 H +TER +ATOM 20999 O WAT 6644 11.801 52.608 41.113 1.00 0.00 O +ATOM 21000 H1 WAT 6644 12.397 52.286 40.436 1.00 0.00 H +ATOM 21001 H2 WAT 6644 12.059 52.135 41.904 1.00 0.00 H +TER +ATOM 21002 O WAT 6645 3.408 50.595 46.863 1.00 0.00 O +ATOM 21003 H1 WAT 6645 3.167 50.863 45.976 1.00 0.00 H +ATOM 21004 H2 WAT 6645 4.348 50.766 46.918 1.00 0.00 H +TER +ATOM 21005 O WAT 6646 5.613 37.059 50.618 1.00 0.00 O +ATOM 21006 H1 WAT 6646 5.552 37.651 51.368 1.00 0.00 H +ATOM 21007 H2 WAT 6646 6.553 36.951 50.473 1.00 0.00 H +TER +ATOM 21008 O WAT 6647 8.251 36.716 50.257 1.00 0.00 O +ATOM 21009 H1 WAT 6647 8.865 37.034 49.596 1.00 0.00 H +ATOM 21010 H2 WAT 6647 8.796 36.231 50.877 1.00 0.00 H +TER +ATOM 21011 O WAT 6648 14.668 52.615 47.664 1.00 0.00 O +ATOM 21012 H1 WAT 6648 14.174 53.012 46.946 1.00 0.00 H +ATOM 21013 H2 WAT 6648 14.059 51.990 48.057 1.00 0.00 H +TER +ATOM 21014 O WAT 6649 8.991 35.279 46.584 1.00 0.00 O +ATOM 21015 H1 WAT 6649 8.117 35.612 46.382 1.00 0.00 H +ATOM 21016 H2 WAT 6649 8.883 34.806 47.410 1.00 0.00 H +TER +ATOM 21017 O WAT 6650 9.899 37.486 47.969 1.00 0.00 O +ATOM 21018 H1 WAT 6650 9.570 36.671 47.589 1.00 0.00 H +ATOM 21019 H2 WAT 6650 10.847 37.443 47.845 1.00 0.00 H +TER +ATOM 21020 O WAT 6651 12.352 53.257 44.942 1.00 0.00 O +ATOM 21021 H1 WAT 6651 11.892 54.009 44.568 1.00 0.00 H +ATOM 21022 H2 WAT 6651 11.723 52.538 44.884 1.00 0.00 H +TER +ATOM 21023 O WAT 6652 2.782 51.566 44.117 1.00 0.00 O +ATOM 21024 H1 WAT 6652 3.298 50.955 43.592 1.00 0.00 H +ATOM 21025 H2 WAT 6652 3.431 52.069 44.608 1.00 0.00 H +TER +ATOM 21026 O WAT 6653 5.521 52.457 44.944 1.00 0.00 O +ATOM 21027 H1 WAT 6653 5.809 52.202 44.067 1.00 0.00 H +ATOM 21028 H2 WAT 6653 6.034 51.905 45.535 1.00 0.00 H +TER +ATOM 21029 O WAT 6654 6.739 36.196 45.524 1.00 0.00 O +ATOM 21030 H1 WAT 6654 5.956 36.671 45.803 1.00 0.00 H +ATOM 21031 H2 WAT 6654 6.445 35.291 45.415 1.00 0.00 H +TER +ATOM 21032 O WAT 6655 11.291 36.898 43.569 1.00 0.00 O +ATOM 21033 H1 WAT 6655 11.732 36.843 42.721 1.00 0.00 H +ATOM 21034 H2 WAT 6655 11.022 37.814 43.640 1.00 0.00 H +TER +ATOM 21035 O WAT 6656 13.155 36.530 41.579 1.00 0.00 O +ATOM 21036 H1 WAT 6656 13.094 35.586 41.433 1.00 0.00 H +ATOM 21037 H2 WAT 6656 13.934 36.638 42.125 1.00 0.00 H +TER +ATOM 21038 O WAT 6657 4.624 38.615 41.035 1.00 0.00 O +ATOM 21039 H1 WAT 6657 3.812 38.240 40.695 1.00 0.00 H +ATOM 21040 H2 WAT 6657 5.129 37.859 41.337 1.00 0.00 H +TER +ATOM 21041 O WAT 6658 9.127 35.279 42.274 1.00 0.00 O +ATOM 21042 H1 WAT 6658 9.730 35.851 42.748 1.00 0.00 H +ATOM 21043 H2 WAT 6658 8.386 35.843 42.051 1.00 0.00 H +TER +ATOM 21044 O WAT 6659 12.270 35.681 37.548 1.00 0.00 O +ATOM 21045 H1 WAT 6659 12.465 36.579 37.814 1.00 0.00 H +ATOM 21046 H2 WAT 6659 11.483 35.450 38.041 1.00 0.00 H +TER +ATOM 21047 O WAT 6660 2.649 36.765 39.640 1.00 0.00 O +ATOM 21048 H1 WAT 6660 2.020 36.063 39.807 1.00 0.00 H +ATOM 21049 H2 WAT 6660 2.110 37.525 39.423 1.00 0.00 H +TER +ATOM 21050 O WAT 6661 5.588 53.379 52.311 1.00 0.00 O +ATOM 21051 H1 WAT 6661 6.515 53.143 52.354 1.00 0.00 H +ATOM 21052 H2 WAT 6661 5.574 54.206 51.829 1.00 0.00 H +TER +ATOM 21053 O WAT 6662 13.823 52.921 39.308 1.00 0.00 O +ATOM 21054 H1 WAT 6662 13.998 52.235 38.664 1.00 0.00 H +ATOM 21055 H2 WAT 6662 13.125 53.446 38.916 1.00 0.00 H +TER +ATOM 21056 O WAT 6663 2.775 36.043 52.075 1.00 0.00 O +ATOM 21057 H1 WAT 6663 2.493 36.546 51.311 1.00 0.00 H +ATOM 21058 H2 WAT 6663 3.157 35.245 51.709 1.00 0.00 H +TER +ATOM 21059 O WAT 6664 9.376 35.458 52.653 1.00 0.00 O +ATOM 21060 H1 WAT 6664 9.263 35.778 53.548 1.00 0.00 H +ATOM 21061 H2 WAT 6664 10.193 35.860 52.357 1.00 0.00 H +TER +ATOM 21062 O WAT 6665 12.156 52.606 52.135 1.00 0.00 O +ATOM 21063 H1 WAT 6665 12.949 52.110 51.928 1.00 0.00 H +ATOM 21064 H2 WAT 6665 12.450 53.285 52.743 1.00 0.00 H +TER +ATOM 21065 O WAT 6666 8.282 43.478 23.017 1.00 0.00 O +ATOM 21066 H1 WAT 6666 8.202 42.563 22.746 1.00 0.00 H +ATOM 21067 H2 WAT 6666 7.869 43.974 22.311 1.00 0.00 H +TER +ATOM 21068 O WAT 6667 6.414 45.256 24.897 1.00 0.00 O +ATOM 21069 H1 WAT 6667 5.638 44.776 25.187 1.00 0.00 H +ATOM 21070 H2 WAT 6667 7.065 44.576 24.723 1.00 0.00 H +TER +ATOM 21071 O WAT 6668 10.435 49.662 23.677 1.00 0.00 O +ATOM 21072 H1 WAT 6668 9.973 48.890 24.006 1.00 0.00 H +ATOM 21073 H2 WAT 6668 11.247 49.688 24.183 1.00 0.00 H +TER +ATOM 21074 O WAT 6669 6.661 51.947 23.298 1.00 0.00 O +ATOM 21075 H1 WAT 6669 6.042 52.403 22.727 1.00 0.00 H +ATOM 21076 H2 WAT 6669 7.516 52.103 22.897 1.00 0.00 H +TER +ATOM 21077 O WAT 6670 5.855 47.931 24.905 1.00 0.00 O +ATOM 21078 H1 WAT 6670 5.786 46.990 24.743 1.00 0.00 H +ATOM 21079 H2 WAT 6670 6.617 48.021 25.477 1.00 0.00 H +TER +ATOM 21080 O WAT 6671 6.885 40.738 25.131 1.00 0.00 O +ATOM 21081 H1 WAT 6671 7.262 39.865 25.019 1.00 0.00 H +ATOM 21082 H2 WAT 6671 6.787 41.074 24.240 1.00 0.00 H +TER +ATOM 21083 O WAT 6672 10.668 38.233 22.064 1.00 0.00 O +ATOM 21084 H1 WAT 6672 11.489 37.743 22.107 1.00 0.00 H +ATOM 21085 H2 WAT 6672 10.701 38.823 22.817 1.00 0.00 H +TER +ATOM 21086 O WAT 6673 2.857 42.079 24.926 1.00 0.00 O +ATOM 21087 H1 WAT 6673 3.365 42.578 25.566 1.00 0.00 H +ATOM 21088 H2 WAT 6673 3.388 41.303 24.750 1.00 0.00 H +TER +ATOM 21089 O WAT 6674 14.958 40.250 28.629 1.00 0.00 O +ATOM 21090 H1 WAT 6674 14.253 40.638 28.110 1.00 0.00 H +ATOM 21091 H2 WAT 6674 15.224 40.945 29.231 1.00 0.00 H +TER +ATOM 21092 O WAT 6675 7.527 46.831 20.691 1.00 0.00 O +ATOM 21093 H1 WAT 6675 6.909 47.296 20.127 1.00 0.00 H +ATOM 21094 H2 WAT 6675 8.040 47.524 21.108 1.00 0.00 H +TER +ATOM 21095 O WAT 6676 2.391 46.359 27.369 1.00 0.00 O +ATOM 21096 H1 WAT 6676 2.058 46.986 28.011 1.00 0.00 H +ATOM 21097 H2 WAT 6676 2.567 46.885 26.590 1.00 0.00 H +TER +ATOM 21098 O WAT 6677 10.904 40.173 24.837 1.00 0.00 O +ATOM 21099 H1 WAT 6677 10.200 40.462 25.417 1.00 0.00 H +ATOM 21100 H2 WAT 6677 11.265 40.983 24.477 1.00 0.00 H +TER +ATOM 21101 O WAT 6678 12.520 49.791 27.100 1.00 0.00 O +ATOM 21102 H1 WAT 6678 11.837 50.461 27.091 1.00 0.00 H +ATOM 21103 H2 WAT 6678 13.060 49.989 26.334 1.00 0.00 H +TER +ATOM 21104 O WAT 6679 13.973 39.619 25.228 1.00 0.00 O +ATOM 21105 H1 WAT 6679 13.025 39.653 25.359 1.00 0.00 H +ATOM 21106 H2 WAT 6679 14.298 40.433 25.613 1.00 0.00 H +TER +ATOM 21107 O WAT 6680 4.505 35.919 23.524 1.00 0.00 O +ATOM 21108 H1 WAT 6680 4.812 35.363 22.807 1.00 0.00 H +ATOM 21109 H2 WAT 6680 3.575 36.053 23.341 1.00 0.00 H +TER +ATOM 21110 O WAT 6681 10.056 51.635 25.814 1.00 0.00 O +ATOM 21111 H1 WAT 6681 10.069 51.232 24.946 1.00 0.00 H +ATOM 21112 H2 WAT 6681 9.504 52.410 25.710 1.00 0.00 H +TER +ATOM 21113 O WAT 6682 11.351 48.357 20.903 1.00 0.00 O +ATOM 21114 H1 WAT 6682 11.240 47.414 21.028 1.00 0.00 H +ATOM 21115 H2 WAT 6682 11.347 48.718 21.790 1.00 0.00 H +TER +ATOM 21116 O WAT 6683 9.455 46.538 27.143 1.00 0.00 O +ATOM 21117 H1 WAT 6683 9.872 46.324 26.308 1.00 0.00 H +ATOM 21118 H2 WAT 6683 10.179 46.796 27.713 1.00 0.00 H +TER +ATOM 21119 O WAT 6684 6.893 43.983 20.260 1.00 0.00 O +ATOM 21120 H1 WAT 6684 5.966 43.917 20.488 1.00 0.00 H +ATOM 21121 H2 WAT 6684 7.045 44.921 20.145 1.00 0.00 H +TER +ATOM 21122 O WAT 6685 6.880 40.255 17.256 1.00 0.00 O +ATOM 21123 H1 WAT 6685 5.940 40.417 17.341 1.00 0.00 H +ATOM 21124 H2 WAT 6685 7.198 40.974 16.710 1.00 0.00 H +TER +ATOM 21125 O WAT 6686 13.401 44.937 27.234 1.00 0.00 O +ATOM 21126 H1 WAT 6686 12.573 45.006 26.759 1.00 0.00 H +ATOM 21127 H2 WAT 6686 13.996 45.522 26.766 1.00 0.00 H +TER +ATOM 21128 O WAT 6687 10.922 45.545 20.763 1.00 0.00 O +ATOM 21129 H1 WAT 6687 10.304 45.207 20.116 1.00 0.00 H +ATOM 21130 H2 WAT 6687 10.905 44.901 21.471 1.00 0.00 H +TER +ATOM 21131 O WAT 6688 10.365 41.724 28.180 1.00 0.00 O +ATOM 21132 H1 WAT 6688 9.952 42.549 28.434 1.00 0.00 H +ATOM 21133 H2 WAT 6688 9.633 41.138 27.987 1.00 0.00 H +TER +ATOM 21134 O WAT 6689 2.498 44.510 23.041 1.00 0.00 O +ATOM 21135 H1 WAT 6689 2.094 43.798 22.546 1.00 0.00 H +ATOM 21136 H2 WAT 6689 2.585 44.165 23.930 1.00 0.00 H +TER +ATOM 21137 O WAT 6690 2.967 48.197 25.205 1.00 0.00 O +ATOM 21138 H1 WAT 6690 2.669 47.591 24.526 1.00 0.00 H +ATOM 21139 H2 WAT 6690 3.917 48.234 25.094 1.00 0.00 H +TER +ATOM 21140 O WAT 6691 11.055 51.770 28.868 1.00 0.00 O +ATOM 21141 H1 WAT 6691 10.578 52.577 28.675 1.00 0.00 H +ATOM 21142 H2 WAT 6691 10.371 51.118 29.020 1.00 0.00 H +TER +ATOM 21143 O WAT 6692 9.099 44.784 17.770 1.00 0.00 O +ATOM 21144 H1 WAT 6692 9.538 43.946 17.624 1.00 0.00 H +ATOM 21145 H2 WAT 6692 9.812 45.417 17.857 1.00 0.00 H +TER +ATOM 21146 O WAT 6693 7.208 49.724 21.738 1.00 0.00 O +ATOM 21147 H1 WAT 6693 7.648 50.466 21.324 1.00 0.00 H +ATOM 21148 H2 WAT 6693 7.147 49.966 22.662 1.00 0.00 H +TER +ATOM 21149 O WAT 6694 2.684 50.748 32.640 1.00 0.00 O +ATOM 21150 H1 WAT 6694 2.655 51.153 31.773 1.00 0.00 H +ATOM 21151 H2 WAT 6694 2.520 49.819 32.478 1.00 0.00 H +TER +ATOM 21152 O WAT 6695 12.681 36.038 16.084 1.00 0.00 O +ATOM 21153 H1 WAT 6695 12.368 36.131 16.984 1.00 0.00 H +ATOM 21154 H2 WAT 6695 13.442 36.617 16.034 1.00 0.00 H +TER +ATOM 21155 O WAT 6696 14.635 51.531 33.937 1.00 0.00 O +ATOM 21156 H1 WAT 6696 15.111 52.009 34.616 1.00 0.00 H +ATOM 21157 H2 WAT 6696 15.256 51.463 33.211 1.00 0.00 H +TER +ATOM 21158 O WAT 6697 14.038 48.722 31.097 1.00 0.00 O +ATOM 21159 H1 WAT 6697 14.165 48.484 30.179 1.00 0.00 H +ATOM 21160 H2 WAT 6697 14.080 47.891 31.569 1.00 0.00 H +TER +ATOM 21161 O WAT 6698 7.900 52.425 29.666 1.00 0.00 O +ATOM 21162 H1 WAT 6698 8.414 52.336 30.469 1.00 0.00 H +ATOM 21163 H2 WAT 6698 7.057 52.771 29.959 1.00 0.00 H +TER +ATOM 21164 O WAT 6699 9.875 52.711 19.095 1.00 0.00 O +ATOM 21165 H1 WAT 6699 9.716 52.421 19.993 1.00 0.00 H +ATOM 21166 H2 WAT 6699 9.710 51.935 18.559 1.00 0.00 H +TER +ATOM 21167 O WAT 6700 9.578 50.219 17.655 1.00 0.00 O +ATOM 21168 H1 WAT 6700 8.885 50.217 16.995 1.00 0.00 H +ATOM 21169 H2 WAT 6700 10.320 49.795 17.224 1.00 0.00 H +TER +ATOM 21170 O WAT 6701 9.143 51.846 21.729 1.00 0.00 O +ATOM 21171 H1 WAT 6701 9.599 51.065 22.043 1.00 0.00 H +ATOM 21172 H2 WAT 6701 9.482 52.556 22.274 1.00 0.00 H +TER +ATOM 21173 O WAT 6702 5.952 39.615 29.528 1.00 0.00 O +ATOM 21174 H1 WAT 6702 5.490 39.823 30.340 1.00 0.00 H +ATOM 21175 H2 WAT 6702 5.550 38.801 29.225 1.00 0.00 H +TER +ATOM 21176 O WAT 6703 10.953 40.836 30.658 1.00 0.00 O +ATOM 21177 H1 WAT 6703 10.102 40.536 30.979 1.00 0.00 H +ATOM 21178 H2 WAT 6703 10.793 41.080 29.746 1.00 0.00 H +TER +ATOM 21179 O WAT 6704 8.048 42.336 32.758 1.00 0.00 O +ATOM 21180 H1 WAT 6704 8.373 41.502 32.418 1.00 0.00 H +ATOM 21181 H2 WAT 6704 8.836 42.859 32.905 1.00 0.00 H +TER +ATOM 21182 O WAT 6705 4.781 36.369 18.805 1.00 0.00 O +ATOM 21183 H1 WAT 6705 4.156 36.365 19.530 1.00 0.00 H +ATOM 21184 H2 WAT 6705 4.694 35.502 18.409 1.00 0.00 H +TER +ATOM 21185 O WAT 6706 3.703 37.293 25.783 1.00 0.00 O +ATOM 21186 H1 WAT 6706 4.000 38.199 25.703 1.00 0.00 H +ATOM 21187 H2 WAT 6706 4.251 36.805 25.169 1.00 0.00 H +TER +ATOM 21188 O WAT 6707 8.686 41.878 20.252 1.00 0.00 O +ATOM 21189 H1 WAT 6707 8.087 42.601 20.068 1.00 0.00 H +ATOM 21190 H2 WAT 6707 9.234 41.815 19.469 1.00 0.00 H +TER +ATOM 21191 O WAT 6708 3.897 42.770 32.319 1.00 0.00 O +ATOM 21192 H1 WAT 6708 3.801 41.829 32.169 1.00 0.00 H +ATOM 21193 H2 WAT 6708 4.740 42.991 31.923 1.00 0.00 H +TER +ATOM 21194 O WAT 6709 7.293 40.514 22.282 1.00 0.00 O +ATOM 21195 H1 WAT 6709 7.686 40.831 21.469 1.00 0.00 H +ATOM 21196 H2 WAT 6709 7.655 39.635 22.396 1.00 0.00 H +TER +ATOM 21197 O WAT 6710 5.602 39.265 33.542 1.00 0.00 O +ATOM 21198 H1 WAT 6710 4.912 39.072 34.176 1.00 0.00 H +ATOM 21199 H2 WAT 6710 6.345 39.548 34.074 1.00 0.00 H +TER +ATOM 21200 O WAT 6711 7.878 43.105 26.377 1.00 0.00 O +ATOM 21201 H1 WAT 6711 7.147 43.613 26.726 1.00 0.00 H +ATOM 21202 H2 WAT 6711 7.481 42.288 26.076 1.00 0.00 H +TER +ATOM 21203 O WAT 6712 4.316 39.780 24.782 1.00 0.00 O +ATOM 21204 H1 WAT 6712 4.320 39.339 23.933 1.00 0.00 H +ATOM 21205 H2 WAT 6712 5.211 40.102 24.890 1.00 0.00 H +TER +ATOM 21206 O WAT 6713 4.378 40.781 17.773 1.00 0.00 O +ATOM 21207 H1 WAT 6713 4.499 40.740 18.722 1.00 0.00 H +ATOM 21208 H2 WAT 6713 3.993 41.644 17.618 1.00 0.00 H +TER +ATOM 21209 O WAT 6714 8.341 38.558 25.789 1.00 0.00 O +ATOM 21210 H1 WAT 6714 8.358 39.009 26.634 1.00 0.00 H +ATOM 21211 H2 WAT 6714 8.093 37.658 26.003 1.00 0.00 H +TER +ATOM 21212 O WAT 6715 3.390 43.091 17.171 1.00 0.00 O +ATOM 21213 H1 WAT 6715 2.822 42.643 16.545 1.00 0.00 H +ATOM 21214 H2 WAT 6715 4.099 43.451 16.638 1.00 0.00 H +TER +ATOM 21215 O WAT 6716 11.768 35.971 31.628 1.00 0.00 O +ATOM 21216 H1 WAT 6716 12.093 35.240 32.154 1.00 0.00 H +ATOM 21217 H2 WAT 6716 11.804 35.653 30.726 1.00 0.00 H +TER +ATOM 21218 O WAT 6717 4.617 43.840 26.529 1.00 0.00 O +ATOM 21219 H1 WAT 6717 4.984 43.366 27.275 1.00 0.00 H +ATOM 21220 H2 WAT 6717 4.427 44.714 26.870 1.00 0.00 H +TER +ATOM 21221 O WAT 6718 2.407 42.881 28.847 1.00 0.00 O +ATOM 21222 H1 WAT 6718 2.103 43.760 29.072 1.00 0.00 H +ATOM 21223 H2 WAT 6718 3.362 42.941 28.883 1.00 0.00 H +TER +ATOM 21224 O WAT 6719 11.694 46.084 25.237 1.00 0.00 O +ATOM 21225 H1 WAT 6719 12.414 46.579 24.846 1.00 0.00 H +ATOM 21226 H2 WAT 6719 11.492 45.405 24.592 1.00 0.00 H +TER +ATOM 21227 O WAT 6720 7.155 37.477 19.380 1.00 0.00 O +ATOM 21228 H1 WAT 6720 6.341 36.979 19.304 1.00 0.00 H +ATOM 21229 H2 WAT 6720 6.961 38.317 18.963 1.00 0.00 H +TER +ATOM 21230 O WAT 6721 7.076 46.155 31.124 1.00 0.00 O +ATOM 21231 H1 WAT 6721 7.009 45.234 30.869 1.00 0.00 H +ATOM 21232 H2 WAT 6721 6.446 46.252 31.838 1.00 0.00 H +TER +ATOM 21233 O WAT 6722 9.870 41.849 17.676 1.00 0.00 O +ATOM 21234 H1 WAT 6722 10.758 42.161 17.501 1.00 0.00 H +ATOM 21235 H2 WAT 6722 9.840 40.977 17.284 1.00 0.00 H +TER +ATOM 21236 O WAT 6723 5.866 48.022 18.355 1.00 0.00 O +ATOM 21237 H1 WAT 6723 6.207 48.766 17.859 1.00 0.00 H +ATOM 21238 H2 WAT 6723 5.037 48.335 18.717 1.00 0.00 H +TER +ATOM 21239 O WAT 6724 7.007 48.977 30.874 1.00 0.00 O +ATOM 21240 H1 WAT 6724 7.022 48.045 30.656 1.00 0.00 H +ATOM 21241 H2 WAT 6724 6.300 49.063 31.513 1.00 0.00 H +TER +ATOM 21242 O WAT 6725 12.141 43.161 17.144 1.00 0.00 O +ATOM 21243 H1 WAT 6725 12.057 43.592 16.293 1.00 0.00 H +ATOM 21244 H2 WAT 6725 12.861 43.620 17.576 1.00 0.00 H +TER +ATOM 21245 O WAT 6726 13.219 45.617 30.221 1.00 0.00 O +ATOM 21246 H1 WAT 6726 12.493 46.210 30.024 1.00 0.00 H +ATOM 21247 H2 WAT 6726 13.746 45.610 29.422 1.00 0.00 H +TER +ATOM 21248 O WAT 6727 13.170 50.015 19.872 1.00 0.00 O +ATOM 21249 H1 WAT 6727 12.527 49.360 20.146 1.00 0.00 H +ATOM 21250 H2 WAT 6727 12.783 50.420 19.096 1.00 0.00 H +TER +ATOM 21251 O WAT 6728 8.748 47.343 23.719 1.00 0.00 O +ATOM 21252 H1 WAT 6728 9.101 46.746 23.059 1.00 0.00 H +ATOM 21253 H2 WAT 6728 7.865 47.018 23.890 1.00 0.00 H +TER +ATOM 21254 O WAT 6729 4.835 48.103 21.126 1.00 0.00 O +ATOM 21255 H1 WAT 6729 5.522 48.650 21.507 1.00 0.00 H +ATOM 21256 H2 WAT 6729 4.048 48.647 21.161 1.00 0.00 H +TER +ATOM 21257 O WAT 6730 4.138 45.108 20.739 1.00 0.00 O +ATOM 21258 H1 WAT 6730 4.594 45.918 20.965 1.00 0.00 H +ATOM 21259 H2 WAT 6730 3.786 44.790 21.571 1.00 0.00 H +TER +ATOM 21260 O WAT 6731 6.441 50.618 27.968 1.00 0.00 O +ATOM 21261 H1 WAT 6731 7.085 50.824 28.645 1.00 0.00 H +ATOM 21262 H2 WAT 6731 6.804 49.857 27.515 1.00 0.00 H +TER +ATOM 21263 O WAT 6732 7.714 48.622 26.686 1.00 0.00 O +ATOM 21264 H1 WAT 6732 8.356 47.921 26.799 1.00 0.00 H +ATOM 21265 H2 WAT 6732 8.239 49.401 26.505 1.00 0.00 H +TER +ATOM 21266 O WAT 6733 11.560 48.906 16.410 1.00 0.00 O +ATOM 21267 H1 WAT 6733 11.333 48.190 17.002 1.00 0.00 H +ATOM 21268 H2 WAT 6733 11.169 48.658 15.572 1.00 0.00 H +TER +ATOM 21269 O WAT 6734 9.488 49.421 29.889 1.00 0.00 O +ATOM 21270 H1 WAT 6734 9.823 50.008 30.567 1.00 0.00 H +ATOM 21271 H2 WAT 6734 8.568 49.290 30.119 1.00 0.00 H +TER +ATOM 21272 O WAT 6735 11.141 46.824 18.071 1.00 0.00 O +ATOM 21273 H1 WAT 6735 10.853 47.285 18.859 1.00 0.00 H +ATOM 21274 H2 WAT 6735 11.936 46.363 18.339 1.00 0.00 H +TER +ATOM 21275 O WAT 6736 5.317 49.470 33.058 1.00 0.00 O +ATOM 21276 H1 WAT 6736 4.996 48.751 33.603 1.00 0.00 H +ATOM 21277 H2 WAT 6736 4.642 50.146 33.132 1.00 0.00 H +TER +ATOM 21278 O WAT 6737 3.358 50.316 18.001 1.00 0.00 O +ATOM 21279 H1 WAT 6737 3.349 51.049 17.386 1.00 0.00 H +ATOM 21280 H2 WAT 6737 2.438 50.069 18.094 1.00 0.00 H +TER +ATOM 21281 O WAT 6738 8.532 39.703 28.422 1.00 0.00 O +ATOM 21282 H1 WAT 6738 8.900 38.882 28.750 1.00 0.00 H +ATOM 21283 H2 WAT 6738 7.672 39.763 28.837 1.00 0.00 H +TER +ATOM 21284 O WAT 6739 11.898 38.659 19.231 1.00 0.00 O +ATOM 21285 H1 WAT 6739 11.269 38.763 18.516 1.00 0.00 H +ATOM 21286 H2 WAT 6739 11.403 38.878 20.020 1.00 0.00 H +TER +ATOM 21287 O WAT 6740 6.344 50.379 16.664 1.00 0.00 O +ATOM 21288 H1 WAT 6740 6.445 50.176 15.734 1.00 0.00 H +ATOM 21289 H2 WAT 6740 5.444 50.125 16.869 1.00 0.00 H +TER +ATOM 21290 O WAT 6741 3.867 40.937 20.646 1.00 0.00 O +ATOM 21291 H1 WAT 6741 3.158 41.406 21.088 1.00 0.00 H +ATOM 21292 H2 WAT 6741 4.151 40.279 21.281 1.00 0.00 H +TER +ATOM 21293 O WAT 6742 5.492 42.357 28.646 1.00 0.00 O +ATOM 21294 H1 WAT 6742 5.991 42.831 29.311 1.00 0.00 H +ATOM 21295 H2 WAT 6742 5.634 41.433 28.853 1.00 0.00 H +TER +ATOM 21296 O WAT 6743 7.898 37.662 22.086 1.00 0.00 O +ATOM 21297 H1 WAT 6743 7.775 37.681 21.137 1.00 0.00 H +ATOM 21298 H2 WAT 6743 8.847 37.710 22.206 1.00 0.00 H +TER +ATOM 21299 O WAT 6744 4.986 52.898 21.359 1.00 0.00 O +ATOM 21300 H1 WAT 6744 5.240 52.860 20.437 1.00 0.00 H +ATOM 21301 H2 WAT 6744 4.037 52.771 21.352 1.00 0.00 H +TER +ATOM 21302 O WAT 6745 12.699 38.574 29.488 1.00 0.00 O +ATOM 21303 H1 WAT 6745 12.196 39.314 29.828 1.00 0.00 H +ATOM 21304 H2 WAT 6745 13.515 38.962 29.172 1.00 0.00 H +TER +ATOM 21305 O WAT 6746 10.991 43.817 22.935 1.00 0.00 O +ATOM 21306 H1 WAT 6746 10.050 43.832 23.109 1.00 0.00 H +ATOM 21307 H2 WAT 6746 11.305 43.031 23.381 1.00 0.00 H +TER +ATOM 21308 O WAT 6747 12.994 50.988 24.610 1.00 0.00 O +ATOM 21309 H1 WAT 6747 13.118 51.811 25.082 1.00 0.00 H +ATOM 21310 H2 WAT 6747 13.860 50.777 24.262 1.00 0.00 H +TER +ATOM 21311 O WAT 6748 3.576 52.254 16.104 1.00 0.00 O +ATOM 21312 H1 WAT 6748 4.368 52.543 15.652 1.00 0.00 H +ATOM 21313 H2 WAT 6748 3.056 51.823 15.426 1.00 0.00 H +TER +ATOM 21314 O WAT 6749 8.308 48.374 33.418 1.00 0.00 O +ATOM 21315 H1 WAT 6749 7.701 48.397 32.677 1.00 0.00 H +ATOM 21316 H2 WAT 6749 8.003 47.642 33.955 1.00 0.00 H +TER +ATOM 21317 O WAT 6750 9.738 52.102 32.029 1.00 0.00 O +ATOM 21318 H1 WAT 6750 10.690 52.017 31.979 1.00 0.00 H +ATOM 21319 H2 WAT 6750 9.591 52.766 32.702 1.00 0.00 H +TER +ATOM 21320 O WAT 6751 12.629 51.481 17.528 1.00 0.00 O +ATOM 21321 H1 WAT 6751 12.343 51.067 16.713 1.00 0.00 H +ATOM 21322 H2 WAT 6751 12.431 52.410 17.408 1.00 0.00 H +TER +ATOM 21323 O WAT 6752 4.093 47.474 15.969 1.00 0.00 O +ATOM 21324 H1 WAT 6752 3.988 46.860 16.695 1.00 0.00 H +ATOM 21325 H2 WAT 6752 3.926 46.951 15.185 1.00 0.00 H +TER +ATOM 21326 O WAT 6753 4.245 46.160 31.947 1.00 0.00 O +ATOM 21327 H1 WAT 6753 3.479 46.728 31.863 1.00 0.00 H +ATOM 21328 H2 WAT 6753 4.426 45.868 31.054 1.00 0.00 H +TER +ATOM 21329 O WAT 6754 7.334 46.536 16.573 1.00 0.00 O +ATOM 21330 H1 WAT 6754 6.785 46.983 17.217 1.00 0.00 H +ATOM 21331 H2 WAT 6754 7.956 46.031 17.096 1.00 0.00 H +TER +ATOM 21332 O WAT 6755 11.387 47.891 32.505 1.00 0.00 O +ATOM 21333 H1 WAT 6755 12.128 48.228 32.002 1.00 0.00 H +ATOM 21334 H2 WAT 6755 10.624 48.060 31.952 1.00 0.00 H +TER +ATOM 21335 O WAT 6756 3.001 45.495 18.469 1.00 0.00 O +ATOM 21336 H1 WAT 6756 3.423 45.329 19.312 1.00 0.00 H +ATOM 21337 H2 WAT 6756 3.126 44.685 17.975 1.00 0.00 H +TER +ATOM 21338 O WAT 6757 5.514 44.519 15.717 1.00 0.00 O +ATOM 21339 H1 WAT 6757 6.034 43.804 15.351 1.00 0.00 H +ATOM 21340 H2 WAT 6757 6.161 45.158 16.017 1.00 0.00 H +TER +ATOM 21341 O WAT 6758 10.062 45.942 31.040 1.00 0.00 O +ATOM 21342 H1 WAT 6758 10.476 46.097 31.890 1.00 0.00 H +ATOM 21343 H2 WAT 6758 9.127 46.068 31.203 1.00 0.00 H +TER +ATOM 21344 O WAT 6759 10.534 43.282 33.044 1.00 0.00 O +ATOM 21345 H1 WAT 6759 11.116 42.527 32.956 1.00 0.00 H +ATOM 21346 H2 WAT 6759 10.710 43.812 32.268 1.00 0.00 H +TER +ATOM 21347 O WAT 6760 4.417 36.999 28.389 1.00 0.00 O +ATOM 21348 H1 WAT 6760 3.969 37.021 27.543 1.00 0.00 H +ATOM 21349 H2 WAT 6760 3.784 36.601 28.986 1.00 0.00 H +TER +ATOM 21350 O WAT 6761 4.823 45.894 29.010 1.00 0.00 O +ATOM 21351 H1 WAT 6761 5.242 46.737 28.838 1.00 0.00 H +ATOM 21352 H2 WAT 6761 3.904 46.031 28.781 1.00 0.00 H +TER +ATOM 21353 O WAT 6762 7.160 43.626 30.394 1.00 0.00 O +ATOM 21354 H1 WAT 6762 7.279 43.030 31.133 1.00 0.00 H +ATOM 21355 H2 WAT 6762 8.019 43.663 29.974 1.00 0.00 H +TER +ATOM 21356 O WAT 6763 9.498 44.179 28.970 1.00 0.00 O +ATOM 21357 H1 WAT 6763 8.972 44.704 28.367 1.00 0.00 H +ATOM 21358 H2 WAT 6763 9.842 44.812 29.601 1.00 0.00 H +TER +ATOM 21359 O WAT 6764 2.674 52.199 30.126 1.00 0.00 O +ATOM 21360 H1 WAT 6764 2.136 52.924 29.807 1.00 0.00 H +ATOM 21361 H2 WAT 6764 2.927 51.722 29.336 1.00 0.00 H +TER +ATOM 21362 O WAT 6765 3.926 40.168 31.651 1.00 0.00 O +ATOM 21363 H1 WAT 6765 4.516 39.859 32.339 1.00 0.00 H +ATOM 21364 H2 WAT 6765 3.108 39.696 31.807 1.00 0.00 H +TER +ATOM 21365 O WAT 6766 8.746 39.784 31.885 1.00 0.00 O +ATOM 21366 H1 WAT 6766 8.057 39.123 31.820 1.00 0.00 H +ATOM 21367 H2 WAT 6766 9.466 39.338 32.330 1.00 0.00 H +TER +ATOM 21368 O WAT 6767 9.376 36.380 17.944 1.00 0.00 O +ATOM 21369 H1 WAT 6767 9.656 35.536 18.300 1.00 0.00 H +ATOM 21370 H2 WAT 6767 8.602 36.612 18.458 1.00 0.00 H +TER +ATOM 21371 O WAT 6768 5.530 53.434 30.385 1.00 0.00 O +ATOM 21372 H1 WAT 6768 5.456 54.338 30.692 1.00 0.00 H +ATOM 21373 H2 WAT 6768 4.628 53.116 30.357 1.00 0.00 H +TER +ATOM 21374 O WAT 6769 3.914 37.612 16.388 1.00 0.00 O +ATOM 21375 H1 WAT 6769 3.566 36.935 15.809 1.00 0.00 H +ATOM 21376 H2 WAT 6769 4.115 37.151 17.203 1.00 0.00 H +TER +ATOM 21377 O WAT 6770 6.079 52.600 18.007 1.00 0.00 O +ATOM 21378 H1 WAT 6770 6.974 52.939 18.029 1.00 0.00 H +ATOM 21379 H2 WAT 6770 6.110 51.878 17.380 1.00 0.00 H +TER +ATOM 21380 O WAT 6771 13.058 51.131 30.714 1.00 0.00 O +ATOM 21381 H1 WAT 6771 12.458 51.190 29.970 1.00 0.00 H +ATOM 21382 H2 WAT 6771 13.188 50.191 30.843 1.00 0.00 H +TER +ATOM 21383 O WAT 6772 14.298 48.872 16.051 1.00 0.00 O +ATOM 21384 H1 WAT 6772 13.468 48.940 16.521 1.00 0.00 H +ATOM 21385 H2 WAT 6772 14.475 49.763 15.747 1.00 0.00 H +TER +ATOM 21386 O WAT 6773 13.754 45.617 18.554 1.00 0.00 O +ATOM 21387 H1 WAT 6773 14.516 46.187 18.660 1.00 0.00 H +ATOM 21388 H2 WAT 6773 13.769 45.050 19.325 1.00 0.00 H +TER +ATOM 21389 O WAT 6774 14.760 46.472 23.398 1.00 0.00 O +ATOM 21390 H1 WAT 6774 15.131 45.689 22.992 1.00 0.00 H +ATOM 21391 H2 WAT 6774 15.400 47.161 23.220 1.00 0.00 H +TER +ATOM 21392 O WAT 6775 11.743 47.856 28.811 1.00 0.00 O +ATOM 21393 H1 WAT 6775 10.929 48.286 29.074 1.00 0.00 H +ATOM 21394 H2 WAT 6775 12.151 48.468 28.198 1.00 0.00 H +TER +ATOM 21395 O WAT 6776 13.806 45.911 15.711 1.00 0.00 O +ATOM 21396 H1 WAT 6776 14.081 46.819 15.583 1.00 0.00 H +ATOM 21397 H2 WAT 6776 13.617 45.847 16.648 1.00 0.00 H +TER +ATOM 21398 O WAT 6777 10.203 38.935 17.007 1.00 0.00 O +ATOM 21399 H1 WAT 6777 10.622 38.748 16.166 1.00 0.00 H +ATOM 21400 H2 WAT 6777 9.897 38.083 17.317 1.00 0.00 H +TER +ATOM 21401 O WAT 6778 13.702 43.848 20.704 1.00 0.00 O +ATOM 21402 H1 WAT 6778 13.327 43.080 20.272 1.00 0.00 H +ATOM 21403 H2 WAT 6778 12.973 44.230 21.192 1.00 0.00 H +TER +ATOM 21404 O WAT 6779 13.092 42.995 30.338 1.00 0.00 O +ATOM 21405 H1 WAT 6779 12.861 42.766 29.438 1.00 0.00 H +ATOM 21406 H2 WAT 6779 13.353 43.915 30.293 1.00 0.00 H +TER +ATOM 21407 O WAT 6780 11.531 38.220 33.116 1.00 0.00 O +ATOM 21408 H1 WAT 6780 12.408 38.229 33.500 1.00 0.00 H +ATOM 21409 H2 WAT 6780 11.543 37.483 32.506 1.00 0.00 H +TER +ATOM 21410 O WAT 6781 12.977 42.073 24.005 1.00 0.00 O +ATOM 21411 H1 WAT 6781 13.501 41.580 23.374 1.00 0.00 H +ATOM 21412 H2 WAT 6781 13.563 42.208 24.750 1.00 0.00 H +TER +ATOM 21413 O WAT 6782 13.156 42.157 27.527 1.00 0.00 O +ATOM 21414 H1 WAT 6782 12.207 42.124 27.642 1.00 0.00 H +ATOM 21415 H2 WAT 6782 13.338 43.067 27.292 1.00 0.00 H +TER +ATOM 21416 O WAT 6783 12.467 41.331 19.944 1.00 0.00 O +ATOM 21417 H1 WAT 6783 12.963 41.098 20.729 1.00 0.00 H +ATOM 21418 H2 WAT 6783 12.269 40.492 19.528 1.00 0.00 H +TER +ATOM 21419 O WAT 6784 13.896 39.967 22.478 1.00 0.00 O +ATOM 21420 H1 WAT 6784 13.786 39.812 23.416 1.00 0.00 H +ATOM 21421 H2 WAT 6784 14.657 39.439 22.236 1.00 0.00 H +TER +ATOM 21422 O WAT 6785 12.243 35.906 28.936 1.00 0.00 O +ATOM 21423 H1 WAT 6785 12.880 36.520 29.302 1.00 0.00 H +ATOM 21424 H2 WAT 6785 12.390 35.942 27.991 1.00 0.00 H +TER +ATOM 21425 O WAT 6786 14.785 37.798 15.719 1.00 0.00 O +ATOM 21426 H1 WAT 6786 15.710 37.666 15.511 1.00 0.00 H +ATOM 21427 H2 WAT 6786 14.763 37.877 16.672 1.00 0.00 H +TER +ATOM 21428 O WAT 6787 14.859 38.569 18.344 1.00 0.00 O +ATOM 21429 H1 WAT 6787 14.064 38.503 18.874 1.00 0.00 H +ATOM 21430 H2 WAT 6787 15.063 39.504 18.333 1.00 0.00 H +TER +ATOM 21431 O WAT 6788 11.801 52.608 22.338 1.00 0.00 O +ATOM 21432 H1 WAT 6788 12.397 52.286 21.662 1.00 0.00 H +ATOM 21433 H2 WAT 6788 12.059 52.135 23.130 1.00 0.00 H +TER +ATOM 21434 O WAT 6789 3.408 50.595 28.088 1.00 0.00 O +ATOM 21435 H1 WAT 6789 3.167 50.863 27.201 1.00 0.00 H +ATOM 21436 H2 WAT 6789 4.348 50.766 28.143 1.00 0.00 H +TER +ATOM 21437 O WAT 6790 5.613 37.059 31.844 1.00 0.00 O +ATOM 21438 H1 WAT 6790 5.552 37.651 32.593 1.00 0.00 H +ATOM 21439 H2 WAT 6790 6.553 36.951 31.699 1.00 0.00 H +TER +ATOM 21440 O WAT 6791 8.251 36.716 31.483 1.00 0.00 O +ATOM 21441 H1 WAT 6791 8.865 37.034 30.821 1.00 0.00 H +ATOM 21442 H2 WAT 6791 8.796 36.231 32.103 1.00 0.00 H +TER +ATOM 21443 O WAT 6792 14.668 52.615 28.889 1.00 0.00 O +ATOM 21444 H1 WAT 6792 14.174 53.012 28.172 1.00 0.00 H +ATOM 21445 H2 WAT 6792 14.059 51.990 29.283 1.00 0.00 H +TER +ATOM 21446 O WAT 6793 8.991 35.279 27.810 1.00 0.00 O +ATOM 21447 H1 WAT 6793 8.117 35.612 27.607 1.00 0.00 H +ATOM 21448 H2 WAT 6793 8.883 34.806 28.635 1.00 0.00 H +TER +ATOM 21449 O WAT 6794 9.899 37.486 29.194 1.00 0.00 O +ATOM 21450 H1 WAT 6794 9.570 36.671 28.814 1.00 0.00 H +ATOM 21451 H2 WAT 6794 10.847 37.443 29.071 1.00 0.00 H +TER +ATOM 21452 O WAT 6795 12.352 53.257 26.168 1.00 0.00 O +ATOM 21453 H1 WAT 6795 11.892 54.009 25.794 1.00 0.00 H +ATOM 21454 H2 WAT 6795 11.723 52.538 26.109 1.00 0.00 H +TER +ATOM 21455 O WAT 6796 2.782 51.566 25.343 1.00 0.00 O +ATOM 21456 H1 WAT 6796 3.298 50.955 24.818 1.00 0.00 H +ATOM 21457 H2 WAT 6796 3.431 52.069 25.834 1.00 0.00 H +TER +ATOM 21458 O WAT 6797 5.521 52.457 26.170 1.00 0.00 O +ATOM 21459 H1 WAT 6797 5.809 52.202 25.293 1.00 0.00 H +ATOM 21460 H2 WAT 6797 6.034 51.905 26.760 1.00 0.00 H +TER +ATOM 21461 O WAT 6798 6.739 36.196 26.749 1.00 0.00 O +ATOM 21462 H1 WAT 6798 5.956 36.671 27.029 1.00 0.00 H +ATOM 21463 H2 WAT 6798 6.445 35.291 26.641 1.00 0.00 H +TER +ATOM 21464 O WAT 6799 11.291 36.898 24.794 1.00 0.00 O +ATOM 21465 H1 WAT 6799 11.732 36.843 23.946 1.00 0.00 H +ATOM 21466 H2 WAT 6799 11.022 37.814 24.865 1.00 0.00 H +TER +ATOM 21467 O WAT 6800 13.155 36.530 22.805 1.00 0.00 O +ATOM 21468 H1 WAT 6800 13.094 35.586 22.658 1.00 0.00 H +ATOM 21469 H2 WAT 6800 13.934 36.638 23.350 1.00 0.00 H +TER +ATOM 21470 O WAT 6801 4.624 38.615 22.261 1.00 0.00 O +ATOM 21471 H1 WAT 6801 3.812 38.240 21.921 1.00 0.00 H +ATOM 21472 H2 WAT 6801 5.129 37.859 22.563 1.00 0.00 H +TER +ATOM 21473 O WAT 6802 9.127 35.279 23.499 1.00 0.00 O +ATOM 21474 H1 WAT 6802 9.730 35.851 23.974 1.00 0.00 H +ATOM 21475 H2 WAT 6802 8.386 35.843 23.277 1.00 0.00 H +TER +ATOM 21476 O WAT 6803 12.270 35.681 18.773 1.00 0.00 O +ATOM 21477 H1 WAT 6803 12.465 36.579 19.040 1.00 0.00 H +ATOM 21478 H2 WAT 6803 11.483 35.450 19.267 1.00 0.00 H +TER +ATOM 21479 O WAT 6804 2.649 36.765 20.865 1.00 0.00 O +ATOM 21480 H1 WAT 6804 2.020 36.063 21.032 1.00 0.00 H +ATOM 21481 H2 WAT 6804 2.110 37.525 20.649 1.00 0.00 H +TER +ATOM 21482 O WAT 6805 5.588 53.379 33.537 1.00 0.00 O +ATOM 21483 H1 WAT 6805 6.515 53.143 33.580 1.00 0.00 H +ATOM 21484 H2 WAT 6805 5.574 54.206 33.055 1.00 0.00 H +TER +ATOM 21485 O WAT 6806 13.823 52.921 20.534 1.00 0.00 O +ATOM 21486 H1 WAT 6806 13.998 52.235 19.890 1.00 0.00 H +ATOM 21487 H2 WAT 6806 13.125 53.446 20.142 1.00 0.00 H +TER +ATOM 21488 O WAT 6807 2.775 36.043 33.301 1.00 0.00 O +ATOM 21489 H1 WAT 6807 2.493 36.546 32.537 1.00 0.00 H +ATOM 21490 H2 WAT 6807 3.157 35.245 32.935 1.00 0.00 H +TER +ATOM 21491 O WAT 6808 9.376 35.458 33.879 1.00 0.00 O +ATOM 21492 H1 WAT 6808 9.263 35.778 34.774 1.00 0.00 H +ATOM 21493 H2 WAT 6808 10.193 35.860 33.582 1.00 0.00 H +TER +ATOM 21494 O WAT 6809 12.156 52.606 33.361 1.00 0.00 O +ATOM 21495 H1 WAT 6809 12.949 52.110 33.153 1.00 0.00 H +ATOM 21496 H2 WAT 6809 12.450 53.285 33.968 1.00 0.00 H +TER +ATOM 21497 O WAT 6810 8.282 43.478 4.242 1.00 0.00 O +ATOM 21498 H1 WAT 6810 8.202 42.563 3.971 1.00 0.00 H +ATOM 21499 H2 WAT 6810 7.869 43.974 3.536 1.00 0.00 H +TER +ATOM 21500 O WAT 6811 6.414 45.256 6.123 1.00 0.00 O +ATOM 21501 H1 WAT 6811 5.638 44.776 6.413 1.00 0.00 H +ATOM 21502 H2 WAT 6811 7.065 44.576 5.949 1.00 0.00 H +TER +ATOM 21503 O WAT 6812 10.435 49.662 4.903 1.00 0.00 O +ATOM 21504 H1 WAT 6812 9.973 48.890 5.232 1.00 0.00 H +ATOM 21505 H2 WAT 6812 11.247 49.688 5.408 1.00 0.00 H +TER +ATOM 21506 O WAT 6813 6.661 51.947 4.523 1.00 0.00 O +ATOM 21507 H1 WAT 6813 6.042 52.403 3.953 1.00 0.00 H +ATOM 21508 H2 WAT 6813 7.516 52.103 4.122 1.00 0.00 H +TER +ATOM 21509 O WAT 6814 5.855 47.931 6.130 1.00 0.00 O +ATOM 21510 H1 WAT 6814 5.786 46.990 5.969 1.00 0.00 H +ATOM 21511 H2 WAT 6814 6.617 48.021 6.702 1.00 0.00 H +TER +ATOM 21512 O WAT 6815 6.885 40.738 6.357 1.00 0.00 O +ATOM 21513 H1 WAT 6815 7.262 39.865 6.244 1.00 0.00 H +ATOM 21514 H2 WAT 6815 6.787 41.074 5.466 1.00 0.00 H +TER +ATOM 21515 O WAT 6816 10.668 38.233 3.290 1.00 0.00 O +ATOM 21516 H1 WAT 6816 11.489 37.743 3.332 1.00 0.00 H +ATOM 21517 H2 WAT 6816 10.701 38.823 4.043 1.00 0.00 H +TER +ATOM 21518 O WAT 6817 2.857 42.079 6.151 1.00 0.00 O +ATOM 21519 H1 WAT 6817 3.365 42.578 6.792 1.00 0.00 H +ATOM 21520 H2 WAT 6817 3.388 41.303 5.975 1.00 0.00 H +TER +ATOM 21521 O WAT 6818 14.958 40.250 9.854 1.00 0.00 O +ATOM 21522 H1 WAT 6818 14.253 40.638 9.336 1.00 0.00 H +ATOM 21523 H2 WAT 6818 15.224 40.945 10.456 1.00 0.00 H +TER +ATOM 21524 O WAT 6819 2.391 46.359 8.595 1.00 0.00 O +ATOM 21525 H1 WAT 6819 2.058 46.986 9.237 1.00 0.00 H +ATOM 21526 H2 WAT 6819 2.567 46.885 7.815 1.00 0.00 H +TER +ATOM 21527 O WAT 6820 10.904 40.173 6.063 1.00 0.00 O +ATOM 21528 H1 WAT 6820 10.200 40.462 6.643 1.00 0.00 H +ATOM 21529 H2 WAT 6820 11.265 40.983 5.703 1.00 0.00 H +TER +ATOM 21530 O WAT 6821 12.520 49.791 8.325 1.00 0.00 O +ATOM 21531 H1 WAT 6821 11.837 50.461 8.317 1.00 0.00 H +ATOM 21532 H2 WAT 6821 13.060 49.989 7.560 1.00 0.00 H +TER +ATOM 21533 O WAT 6822 13.973 39.619 6.454 1.00 0.00 O +ATOM 21534 H1 WAT 6822 13.025 39.653 6.585 1.00 0.00 H +ATOM 21535 H2 WAT 6822 14.298 40.433 6.838 1.00 0.00 H +TER +ATOM 21536 O WAT 6823 4.505 35.919 4.749 1.00 0.00 O +ATOM 21537 H1 WAT 6823 4.812 35.363 4.033 1.00 0.00 H +ATOM 21538 H2 WAT 6823 3.575 36.053 4.566 1.00 0.00 H +TER +ATOM 21539 O WAT 6824 10.056 51.635 7.040 1.00 0.00 O +ATOM 21540 H1 WAT 6824 10.069 51.232 6.172 1.00 0.00 H +ATOM 21541 H2 WAT 6824 9.504 52.410 6.936 1.00 0.00 H +TER +ATOM 21542 O WAT 6825 11.351 48.357 2.129 1.00 0.00 O +ATOM 21543 H1 WAT 6825 11.240 47.414 2.254 1.00 0.00 H +ATOM 21544 H2 WAT 6825 11.347 48.718 3.015 1.00 0.00 H +TER +ATOM 21545 O WAT 6826 9.455 46.538 8.368 1.00 0.00 O +ATOM 21546 H1 WAT 6826 9.872 46.324 7.534 1.00 0.00 H +ATOM 21547 H2 WAT 6826 10.179 46.796 8.939 1.00 0.00 H +TER +ATOM 21548 O WAT 6827 13.401 44.937 8.460 1.00 0.00 O +ATOM 21549 H1 WAT 6827 12.573 45.006 7.985 1.00 0.00 H +ATOM 21550 H2 WAT 6827 13.996 45.522 7.991 1.00 0.00 H +TER +ATOM 21551 O WAT 6828 10.365 41.724 9.405 1.00 0.00 O +ATOM 21552 H1 WAT 6828 9.952 42.549 9.659 1.00 0.00 H +ATOM 21553 H2 WAT 6828 9.633 41.138 9.213 1.00 0.00 H +TER +ATOM 21554 O WAT 6829 2.498 44.510 4.267 1.00 0.00 O +ATOM 21555 H1 WAT 6829 2.094 43.798 3.772 1.00 0.00 H +ATOM 21556 H2 WAT 6829 2.585 44.165 5.156 1.00 0.00 H +TER +ATOM 21557 O WAT 6830 2.967 48.197 6.431 1.00 0.00 O +ATOM 21558 H1 WAT 6830 2.669 47.591 5.752 1.00 0.00 H +ATOM 21559 H2 WAT 6830 3.917 48.234 6.320 1.00 0.00 H +TER +ATOM 21560 O WAT 6831 11.055 51.770 10.093 1.00 0.00 O +ATOM 21561 H1 WAT 6831 10.578 52.577 9.901 1.00 0.00 H +ATOM 21562 H2 WAT 6831 10.371 51.118 10.246 1.00 0.00 H +TER +ATOM 21563 O WAT 6832 7.208 49.724 2.964 1.00 0.00 O +ATOM 21564 H1 WAT 6832 7.648 50.466 2.550 1.00 0.00 H +ATOM 21565 H2 WAT 6832 7.147 49.966 3.888 1.00 0.00 H +TER +ATOM 21566 O WAT 6833 2.684 50.748 13.866 1.00 0.00 O +ATOM 21567 H1 WAT 6833 2.655 51.153 12.999 1.00 0.00 H +ATOM 21568 H2 WAT 6833 2.520 49.819 13.703 1.00 0.00 H +TER +ATOM 21569 O WAT 6834 14.635 51.531 15.163 1.00 0.00 O +ATOM 21570 H1 WAT 6834 15.111 52.009 15.841 1.00 0.00 H +ATOM 21571 H2 WAT 6834 15.256 51.463 14.437 1.00 0.00 H +TER +ATOM 21572 O WAT 6835 14.038 48.722 12.323 1.00 0.00 O +ATOM 21573 H1 WAT 6835 14.165 48.484 11.404 1.00 0.00 H +ATOM 21574 H2 WAT 6835 14.080 47.891 12.795 1.00 0.00 H +TER +ATOM 21575 O WAT 6836 7.900 52.425 10.892 1.00 0.00 O +ATOM 21576 H1 WAT 6836 8.414 52.336 11.694 1.00 0.00 H +ATOM 21577 H2 WAT 6836 7.057 52.771 11.185 1.00 0.00 H +TER +ATOM 21578 O WAT 6837 9.143 51.846 2.955 1.00 0.00 O +ATOM 21579 H1 WAT 6837 9.599 51.065 3.269 1.00 0.00 H +ATOM 21580 H2 WAT 6837 9.482 52.556 3.499 1.00 0.00 H +TER +ATOM 21581 O WAT 6838 13.891 40.776 13.287 1.00 0.00 O +ATOM 21582 H1 WAT 6838 13.275 41.284 12.759 1.00 0.00 H +ATOM 21583 H2 WAT 6838 13.570 39.875 13.230 1.00 0.00 H +TER +ATOM 21584 O WAT 6839 5.952 39.615 10.754 1.00 0.00 O +ATOM 21585 H1 WAT 6839 5.490 39.823 11.566 1.00 0.00 H +ATOM 21586 H2 WAT 6839 5.550 38.801 10.451 1.00 0.00 H +TER +ATOM 21587 O WAT 6840 10.953 40.836 11.883 1.00 0.00 O +ATOM 21588 H1 WAT 6840 10.102 40.536 12.204 1.00 0.00 H +ATOM 21589 H2 WAT 6840 10.793 41.080 10.972 1.00 0.00 H +TER +ATOM 21590 O WAT 6841 8.048 42.336 13.983 1.00 0.00 O +ATOM 21591 H1 WAT 6841 8.373 41.502 13.643 1.00 0.00 H +ATOM 21592 H2 WAT 6841 8.836 42.859 14.131 1.00 0.00 H +TER +ATOM 21593 O WAT 6842 3.703 37.293 7.009 1.00 0.00 O +ATOM 21594 H1 WAT 6842 4.000 38.199 6.928 1.00 0.00 H +ATOM 21595 H2 WAT 6842 4.251 36.805 6.395 1.00 0.00 H +TER +ATOM 21596 O WAT 6843 3.897 42.770 13.544 1.00 0.00 O +ATOM 21597 H1 WAT 6843 3.801 41.829 13.394 1.00 0.00 H +ATOM 21598 H2 WAT 6843 4.740 42.991 13.149 1.00 0.00 H +TER +ATOM 21599 O WAT 6844 7.293 40.514 3.508 1.00 0.00 O +ATOM 21600 H1 WAT 6844 7.686 40.831 2.695 1.00 0.00 H +ATOM 21601 H2 WAT 6844 7.655 39.635 3.622 1.00 0.00 H +TER +ATOM 21602 O WAT 6845 5.602 39.265 14.767 1.00 0.00 O +ATOM 21603 H1 WAT 6845 4.912 39.072 15.402 1.00 0.00 H +ATOM 21604 H2 WAT 6845 6.345 39.548 15.300 1.00 0.00 H +TER +ATOM 21605 O WAT 6846 7.878 43.105 7.603 1.00 0.00 O +ATOM 21606 H1 WAT 6846 7.147 43.613 7.952 1.00 0.00 H +ATOM 21607 H2 WAT 6846 7.481 42.288 7.302 1.00 0.00 H +TER +ATOM 21608 O WAT 6847 4.316 39.780 6.008 1.00 0.00 O +ATOM 21609 H1 WAT 6847 4.320 39.339 5.158 1.00 0.00 H +ATOM 21610 H2 WAT 6847 5.211 40.102 6.115 1.00 0.00 H +TER +ATOM 21611 O WAT 6848 8.341 38.558 7.015 1.00 0.00 O +ATOM 21612 H1 WAT 6848 8.358 39.009 7.859 1.00 0.00 H +ATOM 21613 H2 WAT 6848 8.093 37.658 7.228 1.00 0.00 H +TER +ATOM 21614 O WAT 6849 11.768 35.971 12.854 1.00 0.00 O +ATOM 21615 H1 WAT 6849 12.093 35.240 13.380 1.00 0.00 H +ATOM 21616 H2 WAT 6849 11.804 35.653 11.952 1.00 0.00 H +TER +ATOM 21617 O WAT 6850 4.617 43.840 7.755 1.00 0.00 O +ATOM 21618 H1 WAT 6850 4.984 43.366 8.501 1.00 0.00 H +ATOM 21619 H2 WAT 6850 4.427 44.714 8.095 1.00 0.00 H +TER +ATOM 21620 O WAT 6851 2.407 42.881 10.073 1.00 0.00 O +ATOM 21621 H1 WAT 6851 2.103 43.760 10.298 1.00 0.00 H +ATOM 21622 H2 WAT 6851 3.362 42.941 10.109 1.00 0.00 H +TER +ATOM 21623 O WAT 6852 11.694 46.084 6.462 1.00 0.00 O +ATOM 21624 H1 WAT 6852 12.414 46.579 6.072 1.00 0.00 H +ATOM 21625 H2 WAT 6852 11.492 45.405 5.818 1.00 0.00 H +TER +ATOM 21626 O WAT 6853 7.076 46.155 12.349 1.00 0.00 O +ATOM 21627 H1 WAT 6853 7.009 45.234 12.095 1.00 0.00 H +ATOM 21628 H2 WAT 6853 6.446 46.252 13.064 1.00 0.00 H +TER +ATOM 21629 O WAT 6854 7.007 48.977 12.100 1.00 0.00 O +ATOM 21630 H1 WAT 6854 7.022 48.045 11.881 1.00 0.00 H +ATOM 21631 H2 WAT 6854 6.300 49.063 12.739 1.00 0.00 H +TER +ATOM 21632 O WAT 6855 13.219 45.617 11.446 1.00 0.00 O +ATOM 21633 H1 WAT 6855 12.493 46.210 11.249 1.00 0.00 H +ATOM 21634 H2 WAT 6855 13.746 45.610 10.648 1.00 0.00 H +TER +ATOM 21635 O WAT 6856 8.748 47.343 4.945 1.00 0.00 O +ATOM 21636 H1 WAT 6856 9.101 46.746 4.285 1.00 0.00 H +ATOM 21637 H2 WAT 6856 7.865 47.018 5.116 1.00 0.00 H +TER +ATOM 21638 O WAT 6857 4.835 48.103 2.352 1.00 0.00 O +ATOM 21639 H1 WAT 6857 5.522 48.650 2.733 1.00 0.00 H +ATOM 21640 H2 WAT 6857 4.048 48.647 2.387 1.00 0.00 H +TER +ATOM 21641 O WAT 6858 6.441 50.618 9.194 1.00 0.00 O +ATOM 21642 H1 WAT 6858 7.085 50.824 9.871 1.00 0.00 H +ATOM 21643 H2 WAT 6858 6.804 49.857 8.741 1.00 0.00 H +TER +ATOM 21644 O WAT 6859 7.714 48.622 7.911 1.00 0.00 O +ATOM 21645 H1 WAT 6859 8.356 47.921 8.025 1.00 0.00 H +ATOM 21646 H2 WAT 6859 8.239 49.401 7.731 1.00 0.00 H +TER +ATOM 21647 O WAT 6860 9.488 49.421 11.115 1.00 0.00 O +ATOM 21648 H1 WAT 6860 9.823 50.008 11.793 1.00 0.00 H +ATOM 21649 H2 WAT 6860 8.568 49.290 11.345 1.00 0.00 H +TER +ATOM 21650 O WAT 6861 5.317 49.470 14.284 1.00 0.00 O +ATOM 21651 H1 WAT 6861 4.996 48.751 14.828 1.00 0.00 H +ATOM 21652 H2 WAT 6861 4.642 50.146 14.357 1.00 0.00 H +TER +ATOM 21653 O WAT 6862 8.532 39.703 9.647 1.00 0.00 O +ATOM 21654 H1 WAT 6862 8.900 38.882 9.975 1.00 0.00 H +ATOM 21655 H2 WAT 6862 7.672 39.763 10.063 1.00 0.00 H +TER +ATOM 21656 O WAT 6863 5.492 42.357 9.871 1.00 0.00 O +ATOM 21657 H1 WAT 6863 5.991 42.831 10.536 1.00 0.00 H +ATOM 21658 H2 WAT 6863 5.634 41.433 10.078 1.00 0.00 H +TER +ATOM 21659 O WAT 6864 7.898 37.662 3.312 1.00 0.00 O +ATOM 21660 H1 WAT 6864 7.775 37.681 2.363 1.00 0.00 H +ATOM 21661 H2 WAT 6864 8.847 37.710 3.431 1.00 0.00 H +TER +ATOM 21662 O WAT 6865 12.699 38.574 10.714 1.00 0.00 O +ATOM 21663 H1 WAT 6865 12.196 39.314 11.053 1.00 0.00 H +ATOM 21664 H2 WAT 6865 13.515 38.962 10.398 1.00 0.00 H +TER +ATOM 21665 O WAT 6866 10.991 43.817 4.160 1.00 0.00 O +ATOM 21666 H1 WAT 6866 10.050 43.832 4.335 1.00 0.00 H +ATOM 21667 H2 WAT 6866 11.305 43.031 4.606 1.00 0.00 H +TER +ATOM 21668 O WAT 6867 12.994 50.988 5.836 1.00 0.00 O +ATOM 21669 H1 WAT 6867 13.118 51.811 6.308 1.00 0.00 H +ATOM 21670 H2 WAT 6867 13.860 50.777 5.488 1.00 0.00 H +TER +ATOM 21671 O WAT 6868 8.308 48.374 14.643 1.00 0.00 O +ATOM 21672 H1 WAT 6868 7.701 48.397 13.903 1.00 0.00 H +ATOM 21673 H2 WAT 6868 8.003 47.642 15.180 1.00 0.00 H +TER +ATOM 21674 O WAT 6869 9.738 52.102 13.254 1.00 0.00 O +ATOM 21675 H1 WAT 6869 10.690 52.017 13.204 1.00 0.00 H +ATOM 21676 H2 WAT 6869 9.591 52.766 13.928 1.00 0.00 H +TER +ATOM 21677 O WAT 6870 4.245 46.160 13.173 1.00 0.00 O +ATOM 21678 H1 WAT 6870 3.479 46.728 13.089 1.00 0.00 H +ATOM 21679 H2 WAT 6870 4.426 45.868 12.280 1.00 0.00 H +TER +ATOM 21680 O WAT 6871 11.387 47.891 13.731 1.00 0.00 O +ATOM 21681 H1 WAT 6871 12.128 48.228 13.227 1.00 0.00 H +ATOM 21682 H2 WAT 6871 10.624 48.060 13.178 1.00 0.00 H +TER +ATOM 21683 O WAT 6872 10.062 45.942 12.266 1.00 0.00 O +ATOM 21684 H1 WAT 6872 10.476 46.097 13.115 1.00 0.00 H +ATOM 21685 H2 WAT 6872 9.127 46.068 12.429 1.00 0.00 H +TER +ATOM 21686 O WAT 6873 10.534 43.282 14.270 1.00 0.00 O +ATOM 21687 H1 WAT 6873 11.116 42.527 14.182 1.00 0.00 H +ATOM 21688 H2 WAT 6873 10.710 43.812 13.493 1.00 0.00 H +TER +ATOM 21689 O WAT 6874 4.417 36.999 9.614 1.00 0.00 O +ATOM 21690 H1 WAT 6874 3.969 37.021 8.769 1.00 0.00 H +ATOM 21691 H2 WAT 6874 3.784 36.601 10.212 1.00 0.00 H +TER +ATOM 21692 O WAT 6875 4.823 45.894 10.236 1.00 0.00 O +ATOM 21693 H1 WAT 6875 5.242 46.737 10.063 1.00 0.00 H +ATOM 21694 H2 WAT 6875 3.904 46.031 10.006 1.00 0.00 H +TER +ATOM 21695 O WAT 6876 7.160 43.626 11.620 1.00 0.00 O +ATOM 21696 H1 WAT 6876 7.279 43.030 12.359 1.00 0.00 H +ATOM 21697 H2 WAT 6876 8.019 43.663 11.200 1.00 0.00 H +TER +ATOM 21698 O WAT 6877 9.498 44.179 10.196 1.00 0.00 O +ATOM 21699 H1 WAT 6877 8.972 44.704 9.592 1.00 0.00 H +ATOM 21700 H2 WAT 6877 9.842 44.812 10.827 1.00 0.00 H +TER +ATOM 21701 O WAT 6878 2.674 52.199 11.351 1.00 0.00 O +ATOM 21702 H1 WAT 6878 2.136 52.924 11.032 1.00 0.00 H +ATOM 21703 H2 WAT 6878 2.927 51.722 10.561 1.00 0.00 H +TER +ATOM 21704 O WAT 6879 3.926 40.168 12.877 1.00 0.00 O +ATOM 21705 H1 WAT 6879 4.516 39.859 13.565 1.00 0.00 H +ATOM 21706 H2 WAT 6879 3.108 39.696 13.033 1.00 0.00 H +TER +ATOM 21707 O WAT 6880 8.746 39.784 13.110 1.00 0.00 O +ATOM 21708 H1 WAT 6880 8.057 39.123 13.045 1.00 0.00 H +ATOM 21709 H2 WAT 6880 9.466 39.338 13.555 1.00 0.00 H +TER +ATOM 21710 O WAT 6881 5.530 53.434 11.610 1.00 0.00 O +ATOM 21711 H1 WAT 6881 5.456 54.338 11.917 1.00 0.00 H +ATOM 21712 H2 WAT 6881 4.628 53.116 11.582 1.00 0.00 H +TER +ATOM 21713 O WAT 6882 13.058 51.131 11.939 1.00 0.00 O +ATOM 21714 H1 WAT 6882 12.458 51.190 11.196 1.00 0.00 H +ATOM 21715 H2 WAT 6882 13.188 50.191 12.069 1.00 0.00 H +TER +ATOM 21716 O WAT 6883 14.760 46.472 4.624 1.00 0.00 O +ATOM 21717 H1 WAT 6883 15.131 45.689 4.218 1.00 0.00 H +ATOM 21718 H2 WAT 6883 15.400 47.161 4.446 1.00 0.00 H +TER +ATOM 21719 O WAT 6884 11.743 47.856 10.037 1.00 0.00 O +ATOM 21720 H1 WAT 6884 10.929 48.286 10.300 1.00 0.00 H +ATOM 21721 H2 WAT 6884 12.151 48.468 9.424 1.00 0.00 H +TER +ATOM 21722 O WAT 6885 13.092 42.995 11.564 1.00 0.00 O +ATOM 21723 H1 WAT 6885 12.861 42.766 10.664 1.00 0.00 H +ATOM 21724 H2 WAT 6885 13.353 43.915 11.518 1.00 0.00 H +TER +ATOM 21725 O WAT 6886 11.531 38.220 14.342 1.00 0.00 O +ATOM 21726 H1 WAT 6886 12.408 38.229 14.725 1.00 0.00 H +ATOM 21727 H2 WAT 6886 11.543 37.483 13.731 1.00 0.00 H +TER +ATOM 21728 O WAT 6887 12.977 42.073 5.231 1.00 0.00 O +ATOM 21729 H1 WAT 6887 13.501 41.580 4.600 1.00 0.00 H +ATOM 21730 H2 WAT 6887 13.563 42.208 5.975 1.00 0.00 H +TER +ATOM 21731 O WAT 6888 13.156 42.157 8.753 1.00 0.00 O +ATOM 21732 H1 WAT 6888 12.207 42.124 8.867 1.00 0.00 H +ATOM 21733 H2 WAT 6888 13.338 43.067 8.518 1.00 0.00 H +TER +ATOM 21734 O WAT 6889 13.896 39.967 3.704 1.00 0.00 O +ATOM 21735 H1 WAT 6889 13.786 39.812 4.642 1.00 0.00 H +ATOM 21736 H2 WAT 6889 14.657 39.439 3.461 1.00 0.00 H +TER +ATOM 21737 O WAT 6890 12.243 35.906 10.162 1.00 0.00 O +ATOM 21738 H1 WAT 6890 12.880 36.520 10.528 1.00 0.00 H +ATOM 21739 H2 WAT 6890 12.390 35.942 9.217 1.00 0.00 H +TER +ATOM 21740 O WAT 6891 11.801 52.608 3.564 1.00 0.00 O +ATOM 21741 H1 WAT 6891 12.397 52.286 2.887 1.00 0.00 H +ATOM 21742 H2 WAT 6891 12.059 52.135 4.355 1.00 0.00 H +TER +ATOM 21743 O WAT 6892 3.408 50.595 9.314 1.00 0.00 O +ATOM 21744 H1 WAT 6892 3.167 50.863 8.427 1.00 0.00 H +ATOM 21745 H2 WAT 6892 4.348 50.766 9.369 1.00 0.00 H +TER +ATOM 21746 O WAT 6893 5.613 37.059 13.070 1.00 0.00 O +ATOM 21747 H1 WAT 6893 5.552 37.651 13.819 1.00 0.00 H +ATOM 21748 H2 WAT 6893 6.553 36.951 12.925 1.00 0.00 H +TER +ATOM 21749 O WAT 6894 8.251 36.716 12.709 1.00 0.00 O +ATOM 21750 H1 WAT 6894 8.865 37.034 12.047 1.00 0.00 H +ATOM 21751 H2 WAT 6894 8.796 36.231 13.328 1.00 0.00 H +TER +ATOM 21752 O WAT 6895 14.668 52.615 10.115 1.00 0.00 O +ATOM 21753 H1 WAT 6895 14.174 53.012 9.398 1.00 0.00 H +ATOM 21754 H2 WAT 6895 14.059 51.990 10.509 1.00 0.00 H +TER +ATOM 21755 O WAT 6896 8.991 35.279 9.036 1.00 0.00 O +ATOM 21756 H1 WAT 6896 8.117 35.612 8.833 1.00 0.00 H +ATOM 21757 H2 WAT 6896 8.883 34.806 9.861 1.00 0.00 H +TER +ATOM 21758 O WAT 6897 9.899 37.486 10.420 1.00 0.00 O +ATOM 21759 H1 WAT 6897 9.570 36.671 10.040 1.00 0.00 H +ATOM 21760 H2 WAT 6897 10.847 37.443 10.296 1.00 0.00 H +TER +ATOM 21761 O WAT 6898 12.352 53.257 7.394 1.00 0.00 O +ATOM 21762 H1 WAT 6898 11.892 54.009 7.019 1.00 0.00 H +ATOM 21763 H2 WAT 6898 11.723 52.538 7.335 1.00 0.00 H +TER +ATOM 21764 O WAT 6899 2.782 51.566 6.568 1.00 0.00 O +ATOM 21765 H1 WAT 6899 3.298 50.955 6.043 1.00 0.00 H +ATOM 21766 H2 WAT 6899 3.431 52.069 7.060 1.00 0.00 H +TER +ATOM 21767 O WAT 6900 5.521 52.457 7.395 1.00 0.00 O +ATOM 21768 H1 WAT 6900 5.809 52.202 6.519 1.00 0.00 H +ATOM 21769 H2 WAT 6900 6.034 51.905 7.986 1.00 0.00 H +TER +ATOM 21770 O WAT 6901 6.739 36.196 7.975 1.00 0.00 O +ATOM 21771 H1 WAT 6901 5.956 36.671 8.255 1.00 0.00 H +ATOM 21772 H2 WAT 6901 6.445 35.291 7.866 1.00 0.00 H +TER +ATOM 21773 O WAT 6902 11.291 36.898 6.020 1.00 0.00 O +ATOM 21774 H1 WAT 6902 11.732 36.843 5.172 1.00 0.00 H +ATOM 21775 H2 WAT 6902 11.022 37.814 6.091 1.00 0.00 H +TER +ATOM 21776 O WAT 6903 13.155 36.530 4.031 1.00 0.00 O +ATOM 21777 H1 WAT 6903 13.094 35.586 3.884 1.00 0.00 H +ATOM 21778 H2 WAT 6903 13.934 36.638 4.576 1.00 0.00 H +TER +ATOM 21779 O WAT 6904 4.624 38.615 3.487 1.00 0.00 O +ATOM 21780 H1 WAT 6904 3.812 38.240 3.146 1.00 0.00 H +ATOM 21781 H2 WAT 6904 5.129 37.859 3.789 1.00 0.00 H +TER +ATOM 21782 O WAT 6905 9.127 35.279 4.725 1.00 0.00 O +ATOM 21783 H1 WAT 6905 9.730 35.851 5.200 1.00 0.00 H +ATOM 21784 H2 WAT 6905 8.386 35.843 4.502 1.00 0.00 H +TER +ATOM 21785 O WAT 6906 5.588 53.379 14.762 1.00 0.00 O +ATOM 21786 H1 WAT 6906 6.515 53.143 14.806 1.00 0.00 H +ATOM 21787 H2 WAT 6906 5.574 54.206 14.281 1.00 0.00 H +TER +ATOM 21788 O WAT 6907 2.775 36.043 14.526 1.00 0.00 O +ATOM 21789 H1 WAT 6907 2.493 36.546 13.762 1.00 0.00 H +ATOM 21790 H2 WAT 6907 3.157 35.245 14.161 1.00 0.00 H +TER +ATOM 21791 O WAT 6908 9.376 35.458 15.104 1.00 0.00 O +ATOM 21792 H1 WAT 6908 9.263 35.778 16.000 1.00 0.00 H +ATOM 21793 H2 WAT 6908 10.193 35.860 14.808 1.00 0.00 H +TER +ATOM 21794 O WAT 6909 12.156 52.606 14.586 1.00 0.00 O +ATOM 21795 H1 WAT 6909 12.949 52.110 14.379 1.00 0.00 H +ATOM 21796 H2 WAT 6909 12.450 53.285 15.194 1.00 0.00 H +TER +ATOM 21797 O WAT 6910 8.282 24.703 60.565 1.00 0.00 O +ATOM 21798 H1 WAT 6910 8.202 23.789 60.294 1.00 0.00 H +ATOM 21799 H2 WAT 6910 7.869 25.200 59.859 1.00 0.00 H +TER +ATOM 21800 O WAT 6911 6.414 26.481 62.446 1.00 0.00 O +ATOM 21801 H1 WAT 6911 5.638 26.001 62.736 1.00 0.00 H +ATOM 21802 H2 WAT 6911 7.065 25.802 62.272 1.00 0.00 H +TER +ATOM 21803 O WAT 6912 10.435 30.887 61.226 1.00 0.00 O +ATOM 21804 H1 WAT 6912 9.973 30.116 61.555 1.00 0.00 H +ATOM 21805 H2 WAT 6912 11.247 30.914 61.731 1.00 0.00 H +TER +ATOM 21806 O WAT 6913 6.661 33.173 60.847 1.00 0.00 O +ATOM 21807 H1 WAT 6913 6.042 33.629 60.276 1.00 0.00 H +ATOM 21808 H2 WAT 6913 7.516 33.328 60.445 1.00 0.00 H +TER +ATOM 21809 O WAT 6914 5.855 29.157 62.453 1.00 0.00 O +ATOM 21810 H1 WAT 6914 5.786 28.216 62.292 1.00 0.00 H +ATOM 21811 H2 WAT 6914 6.617 29.247 63.025 1.00 0.00 H +TER +ATOM 21812 O WAT 6915 6.885 21.964 62.680 1.00 0.00 O +ATOM 21813 H1 WAT 6915 7.262 21.091 62.567 1.00 0.00 H +ATOM 21814 H2 WAT 6915 6.787 22.300 61.789 1.00 0.00 H +TER +ATOM 21815 O WAT 6916 10.668 19.459 59.613 1.00 0.00 O +ATOM 21816 H1 WAT 6916 11.489 18.969 59.655 1.00 0.00 H +ATOM 21817 H2 WAT 6916 10.701 20.049 60.366 1.00 0.00 H +TER +ATOM 21818 O WAT 6917 2.857 23.305 62.474 1.00 0.00 O +ATOM 21819 H1 WAT 6917 3.365 23.803 63.115 1.00 0.00 H +ATOM 21820 H2 WAT 6917 3.388 22.529 62.298 1.00 0.00 H +TER +ATOM 21821 O WAT 6918 7.527 28.057 58.240 1.00 0.00 O +ATOM 21822 H1 WAT 6918 6.909 28.522 57.676 1.00 0.00 H +ATOM 21823 H2 WAT 6918 8.040 28.750 58.657 1.00 0.00 H +TER +ATOM 21824 O WAT 6919 2.391 27.585 64.918 1.00 0.00 O +ATOM 21825 H1 WAT 6919 2.058 28.211 65.560 1.00 0.00 H +ATOM 21826 H2 WAT 6919 2.567 28.111 64.138 1.00 0.00 H +TER +ATOM 21827 O WAT 6920 10.904 21.399 62.386 1.00 0.00 O +ATOM 21828 H1 WAT 6920 10.200 21.688 62.966 1.00 0.00 H +ATOM 21829 H2 WAT 6920 11.265 22.209 62.026 1.00 0.00 H +TER +ATOM 21830 O WAT 6921 12.520 31.017 64.648 1.00 0.00 O +ATOM 21831 H1 WAT 6921 11.837 31.686 64.640 1.00 0.00 H +ATOM 21832 H2 WAT 6921 13.060 31.215 63.883 1.00 0.00 H +TER +ATOM 21833 O WAT 6922 13.973 20.845 62.777 1.00 0.00 O +ATOM 21834 H1 WAT 6922 13.025 20.878 62.908 1.00 0.00 H +ATOM 21835 H2 WAT 6922 14.298 21.658 63.162 1.00 0.00 H +TER +ATOM 21836 O WAT 6923 4.505 17.144 61.072 1.00 0.00 O +ATOM 21837 H1 WAT 6923 4.812 16.589 60.356 1.00 0.00 H +ATOM 21838 H2 WAT 6923 3.575 17.279 60.890 1.00 0.00 H +TER +ATOM 21839 O WAT 6924 10.056 32.861 63.363 1.00 0.00 O +ATOM 21840 H1 WAT 6924 10.069 32.457 62.495 1.00 0.00 H +ATOM 21841 H2 WAT 6924 9.504 33.636 63.259 1.00 0.00 H +TER +ATOM 21842 O WAT 6925 11.351 29.583 58.452 1.00 0.00 O +ATOM 21843 H1 WAT 6925 11.240 28.640 58.577 1.00 0.00 H +ATOM 21844 H2 WAT 6925 11.347 29.944 59.338 1.00 0.00 H +TER +ATOM 21845 O WAT 6926 9.455 27.764 64.691 1.00 0.00 O +ATOM 21846 H1 WAT 6926 9.872 27.550 63.857 1.00 0.00 H +ATOM 21847 H2 WAT 6926 10.179 28.021 65.262 1.00 0.00 H +TER +ATOM 21848 O WAT 6927 6.893 25.209 57.808 1.00 0.00 O +ATOM 21849 H1 WAT 6927 5.966 25.143 58.037 1.00 0.00 H +ATOM 21850 H2 WAT 6927 7.045 26.147 57.694 1.00 0.00 H +TER +ATOM 21851 O WAT 6928 6.880 21.481 54.805 1.00 0.00 O +ATOM 21852 H1 WAT 6928 5.940 21.642 54.890 1.00 0.00 H +ATOM 21853 H2 WAT 6928 7.198 22.199 54.259 1.00 0.00 H +TER +ATOM 21854 O WAT 6929 13.401 26.163 64.783 1.00 0.00 O +ATOM 21855 H1 WAT 6929 12.573 26.232 64.308 1.00 0.00 H +ATOM 21856 H2 WAT 6929 13.996 26.748 64.314 1.00 0.00 H +TER +ATOM 21857 O WAT 6930 10.922 26.771 58.312 1.00 0.00 O +ATOM 21858 H1 WAT 6930 10.304 26.433 57.664 1.00 0.00 H +ATOM 21859 H2 WAT 6930 10.905 26.127 59.020 1.00 0.00 H +TER +ATOM 21860 O WAT 6931 10.365 22.950 65.728 1.00 0.00 O +ATOM 21861 H1 WAT 6931 9.952 23.775 65.982 1.00 0.00 H +ATOM 21862 H2 WAT 6931 9.633 22.364 65.536 1.00 0.00 H +TER +ATOM 21863 O WAT 6932 2.498 25.736 60.590 1.00 0.00 O +ATOM 21864 H1 WAT 6932 2.094 25.023 60.095 1.00 0.00 H +ATOM 21865 H2 WAT 6932 2.585 25.391 61.479 1.00 0.00 H +TER +ATOM 21866 O WAT 6933 2.967 29.422 62.754 1.00 0.00 O +ATOM 21867 H1 WAT 6933 2.669 28.817 62.075 1.00 0.00 H +ATOM 21868 H2 WAT 6933 3.917 29.460 62.643 1.00 0.00 H +TER +ATOM 21869 O WAT 6934 9.099 26.010 55.319 1.00 0.00 O +ATOM 21870 H1 WAT 6934 9.538 25.172 55.173 1.00 0.00 H +ATOM 21871 H2 WAT 6934 9.812 26.643 55.405 1.00 0.00 H +TER +ATOM 21872 O WAT 6935 7.208 30.949 59.287 1.00 0.00 O +ATOM 21873 H1 WAT 6935 7.648 31.692 58.873 1.00 0.00 H +ATOM 21874 H2 WAT 6935 7.147 31.192 60.211 1.00 0.00 H +TER +ATOM 21875 O WAT 6936 12.681 17.264 53.633 1.00 0.00 O +ATOM 21876 H1 WAT 6936 12.368 17.357 54.533 1.00 0.00 H +ATOM 21877 H2 WAT 6936 13.442 17.842 53.583 1.00 0.00 H +TER +ATOM 21878 O WAT 6937 9.875 33.936 56.643 1.00 0.00 O +ATOM 21879 H1 WAT 6937 9.716 33.647 57.542 1.00 0.00 H +ATOM 21880 H2 WAT 6937 9.710 33.160 56.108 1.00 0.00 H +TER +ATOM 21881 O WAT 6938 9.578 31.445 55.203 1.00 0.00 O +ATOM 21882 H1 WAT 6938 8.885 31.443 54.543 1.00 0.00 H +ATOM 21883 H2 WAT 6938 10.320 31.021 54.773 1.00 0.00 H +TER +ATOM 21884 O WAT 6939 9.143 33.071 59.278 1.00 0.00 O +ATOM 21885 H1 WAT 6939 9.599 32.290 59.592 1.00 0.00 H +ATOM 21886 H2 WAT 6939 9.482 33.782 59.822 1.00 0.00 H +TER +ATOM 21887 O WAT 6940 4.781 17.595 56.354 1.00 0.00 O +ATOM 21888 H1 WAT 6940 4.156 17.591 57.079 1.00 0.00 H +ATOM 21889 H2 WAT 6940 4.694 16.728 55.957 1.00 0.00 H +TER +ATOM 21890 O WAT 6941 3.703 18.518 63.332 1.00 0.00 O +ATOM 21891 H1 WAT 6941 4.000 19.425 63.251 1.00 0.00 H +ATOM 21892 H2 WAT 6941 4.251 18.030 62.718 1.00 0.00 H +TER +ATOM 21893 O WAT 6942 8.686 23.103 57.800 1.00 0.00 O +ATOM 21894 H1 WAT 6942 8.087 23.827 57.617 1.00 0.00 H +ATOM 21895 H2 WAT 6942 9.234 23.041 57.018 1.00 0.00 H +TER +ATOM 21896 O WAT 6943 7.293 21.740 59.831 1.00 0.00 O +ATOM 21897 H1 WAT 6943 7.686 22.057 59.018 1.00 0.00 H +ATOM 21898 H2 WAT 6943 7.655 20.861 59.945 1.00 0.00 H +TER +ATOM 21899 O WAT 6944 7.878 24.330 63.926 1.00 0.00 O +ATOM 21900 H1 WAT 6944 7.147 24.839 64.275 1.00 0.00 H +ATOM 21901 H2 WAT 6944 7.481 23.513 63.625 1.00 0.00 H +TER +ATOM 21902 O WAT 6945 4.316 21.006 62.331 1.00 0.00 O +ATOM 21903 H1 WAT 6945 4.320 20.565 61.482 1.00 0.00 H +ATOM 21904 H2 WAT 6945 5.211 21.327 62.438 1.00 0.00 H +TER +ATOM 21905 O WAT 6946 4.378 22.007 55.322 1.00 0.00 O +ATOM 21906 H1 WAT 6946 4.499 21.965 56.270 1.00 0.00 H +ATOM 21907 H2 WAT 6946 3.993 22.869 55.166 1.00 0.00 H +TER +ATOM 21908 O WAT 6947 8.341 19.784 63.338 1.00 0.00 O +ATOM 21909 H1 WAT 6947 8.358 20.234 64.182 1.00 0.00 H +ATOM 21910 H2 WAT 6947 8.093 18.884 63.551 1.00 0.00 H +TER +ATOM 21911 O WAT 6948 3.390 24.317 54.720 1.00 0.00 O +ATOM 21912 H1 WAT 6948 2.822 23.869 54.094 1.00 0.00 H +ATOM 21913 H2 WAT 6948 4.099 24.676 54.187 1.00 0.00 H +TER +ATOM 21914 O WAT 6949 4.617 25.066 64.078 1.00 0.00 O +ATOM 21915 H1 WAT 6949 4.984 24.592 64.824 1.00 0.00 H +ATOM 21916 H2 WAT 6949 4.427 25.940 64.418 1.00 0.00 H +TER +ATOM 21917 O WAT 6950 11.694 27.309 62.785 1.00 0.00 O +ATOM 21918 H1 WAT 6950 12.414 27.805 62.395 1.00 0.00 H +ATOM 21919 H2 WAT 6950 11.492 26.631 62.141 1.00 0.00 H +TER +ATOM 21920 O WAT 6951 7.155 18.703 56.928 1.00 0.00 O +ATOM 21921 H1 WAT 6951 6.341 18.204 56.853 1.00 0.00 H +ATOM 21922 H2 WAT 6951 6.961 19.543 56.512 1.00 0.00 H +TER +ATOM 21923 O WAT 6952 9.870 23.075 55.225 1.00 0.00 O +ATOM 21924 H1 WAT 6952 10.758 23.387 55.050 1.00 0.00 H +ATOM 21925 H2 WAT 6952 9.840 22.202 54.833 1.00 0.00 H +TER +ATOM 21926 O WAT 6953 5.866 29.247 55.903 1.00 0.00 O +ATOM 21927 H1 WAT 6953 6.207 29.992 55.408 1.00 0.00 H +ATOM 21928 H2 WAT 6953 5.037 29.561 56.266 1.00 0.00 H +TER +ATOM 21929 O WAT 6954 12.141 24.386 54.692 1.00 0.00 O +ATOM 21930 H1 WAT 6954 12.057 24.818 53.842 1.00 0.00 H +ATOM 21931 H2 WAT 6954 12.861 24.846 55.125 1.00 0.00 H +TER +ATOM 21932 O WAT 6955 13.170 31.240 57.421 1.00 0.00 O +ATOM 21933 H1 WAT 6955 12.527 30.586 57.695 1.00 0.00 H +ATOM 21934 H2 WAT 6955 12.783 31.646 56.645 1.00 0.00 H +TER +ATOM 21935 O WAT 6956 8.748 28.569 61.268 1.00 0.00 O +ATOM 21936 H1 WAT 6956 9.101 27.972 60.608 1.00 0.00 H +ATOM 21937 H2 WAT 6956 7.865 28.243 61.439 1.00 0.00 H +TER +ATOM 21938 O WAT 6957 4.835 29.329 58.675 1.00 0.00 O +ATOM 21939 H1 WAT 6957 5.522 29.876 59.056 1.00 0.00 H +ATOM 21940 H2 WAT 6957 4.048 29.873 58.710 1.00 0.00 H +TER +ATOM 21941 O WAT 6958 4.138 26.333 58.287 1.00 0.00 O +ATOM 21942 H1 WAT 6958 4.594 27.144 58.513 1.00 0.00 H +ATOM 21943 H2 WAT 6958 3.786 26.016 59.119 1.00 0.00 H +TER +ATOM 21944 O WAT 6959 7.714 29.847 64.234 1.00 0.00 O +ATOM 21945 H1 WAT 6959 8.356 29.147 64.348 1.00 0.00 H +ATOM 21946 H2 WAT 6959 8.239 30.627 64.054 1.00 0.00 H +TER +ATOM 21947 O WAT 6960 11.560 30.132 53.958 1.00 0.00 O +ATOM 21948 H1 WAT 6960 11.333 29.415 54.551 1.00 0.00 H +ATOM 21949 H2 WAT 6960 11.169 29.883 53.121 1.00 0.00 H +TER +ATOM 21950 O WAT 6961 11.141 28.049 55.620 1.00 0.00 O +ATOM 21951 H1 WAT 6961 10.853 28.511 56.408 1.00 0.00 H +ATOM 21952 H2 WAT 6961 11.936 27.589 55.888 1.00 0.00 H +TER +ATOM 21953 O WAT 6962 3.358 31.542 55.550 1.00 0.00 O +ATOM 21954 H1 WAT 6962 3.349 32.275 54.935 1.00 0.00 H +ATOM 21955 H2 WAT 6962 2.438 31.295 55.643 1.00 0.00 H +TER +ATOM 21956 O WAT 6963 11.898 19.884 56.779 1.00 0.00 O +ATOM 21957 H1 WAT 6963 11.269 19.989 56.065 1.00 0.00 H +ATOM 21958 H2 WAT 6963 11.403 20.104 57.569 1.00 0.00 H +TER +ATOM 21959 O WAT 6964 6.344 31.605 54.213 1.00 0.00 O +ATOM 21960 H1 WAT 6964 6.445 31.401 53.283 1.00 0.00 H +ATOM 21961 H2 WAT 6964 5.444 31.351 54.417 1.00 0.00 H +TER +ATOM 21962 O WAT 6965 3.867 22.163 58.195 1.00 0.00 O +ATOM 21963 H1 WAT 6965 3.158 22.631 58.636 1.00 0.00 H +ATOM 21964 H2 WAT 6965 4.151 21.505 58.830 1.00 0.00 H +TER +ATOM 21965 O WAT 6966 7.898 18.888 59.635 1.00 0.00 O +ATOM 21966 H1 WAT 6966 7.775 18.906 58.686 1.00 0.00 H +ATOM 21967 H2 WAT 6966 8.847 18.936 59.754 1.00 0.00 H +TER +ATOM 21968 O WAT 6967 4.986 34.123 58.907 1.00 0.00 O +ATOM 21969 H1 WAT 6967 5.240 34.086 57.985 1.00 0.00 H +ATOM 21970 H2 WAT 6967 4.037 33.997 58.900 1.00 0.00 H +TER +ATOM 21971 O WAT 6968 10.991 25.043 60.483 1.00 0.00 O +ATOM 21972 H1 WAT 6968 10.050 25.058 60.658 1.00 0.00 H +ATOM 21973 H2 WAT 6968 11.305 24.256 60.929 1.00 0.00 H +TER +ATOM 21974 O WAT 6969 12.994 32.213 62.159 1.00 0.00 O +ATOM 21975 H1 WAT 6969 13.118 33.037 62.631 1.00 0.00 H +ATOM 21976 H2 WAT 6969 13.860 32.003 61.811 1.00 0.00 H +TER +ATOM 21977 O WAT 6970 3.576 33.480 53.653 1.00 0.00 O +ATOM 21978 H1 WAT 6970 4.368 33.768 53.201 1.00 0.00 H +ATOM 21979 H2 WAT 6970 3.056 33.049 52.974 1.00 0.00 H +TER +ATOM 21980 O WAT 6971 12.629 32.707 55.077 1.00 0.00 O +ATOM 21981 H1 WAT 6971 12.343 32.293 54.262 1.00 0.00 H +ATOM 21982 H2 WAT 6971 12.431 33.635 54.957 1.00 0.00 H +TER +ATOM 21983 O WAT 6972 4.093 28.700 53.517 1.00 0.00 O +ATOM 21984 H1 WAT 6972 3.988 28.085 54.243 1.00 0.00 H +ATOM 21985 H2 WAT 6972 3.926 28.177 52.734 1.00 0.00 H +TER +ATOM 21986 O WAT 6973 7.334 27.762 54.121 1.00 0.00 O +ATOM 21987 H1 WAT 6973 6.785 28.209 54.766 1.00 0.00 H +ATOM 21988 H2 WAT 6973 7.956 27.257 54.645 1.00 0.00 H +TER +ATOM 21989 O WAT 6974 3.001 26.721 56.018 1.00 0.00 O +ATOM 21990 H1 WAT 6974 3.423 26.555 56.861 1.00 0.00 H +ATOM 21991 H2 WAT 6974 3.126 25.911 55.523 1.00 0.00 H +TER +ATOM 21992 O WAT 6975 5.514 25.745 53.266 1.00 0.00 O +ATOM 21993 H1 WAT 6975 6.034 25.030 52.900 1.00 0.00 H +ATOM 21994 H2 WAT 6975 6.161 26.383 53.566 1.00 0.00 H +TER +ATOM 21995 O WAT 6976 9.376 17.605 55.492 1.00 0.00 O +ATOM 21996 H1 WAT 6976 9.656 16.762 55.848 1.00 0.00 H +ATOM 21997 H2 WAT 6976 8.602 17.838 56.006 1.00 0.00 H +TER +ATOM 21998 O WAT 6977 3.914 18.838 53.937 1.00 0.00 O +ATOM 21999 H1 WAT 6977 3.566 18.160 53.357 1.00 0.00 H +ATOM 22000 H2 WAT 6977 4.115 18.377 54.752 1.00 0.00 H +TER +ATOM 22001 O WAT 6978 6.079 33.826 55.556 1.00 0.00 O +ATOM 22002 H1 WAT 6978 6.974 34.164 55.578 1.00 0.00 H +ATOM 22003 H2 WAT 6978 6.110 33.104 54.928 1.00 0.00 H +TER +ATOM 22004 O WAT 6979 14.298 30.098 53.599 1.00 0.00 O +ATOM 22005 H1 WAT 6979 13.468 30.166 54.070 1.00 0.00 H +ATOM 22006 H2 WAT 6979 14.475 30.989 53.296 1.00 0.00 H +TER +ATOM 22007 O WAT 6980 13.754 26.843 56.103 1.00 0.00 O +ATOM 22008 H1 WAT 6980 14.516 27.413 56.209 1.00 0.00 H +ATOM 22009 H2 WAT 6980 13.769 26.276 56.874 1.00 0.00 H +TER +ATOM 22010 O WAT 6981 14.760 27.698 60.947 1.00 0.00 O +ATOM 22011 H1 WAT 6981 15.131 26.915 60.541 1.00 0.00 H +ATOM 22012 H2 WAT 6981 15.400 28.387 60.769 1.00 0.00 H +TER +ATOM 22013 O WAT 6982 13.806 27.136 53.260 1.00 0.00 O +ATOM 22014 H1 WAT 6982 14.081 28.044 53.132 1.00 0.00 H +ATOM 22015 H2 WAT 6982 13.617 27.073 54.196 1.00 0.00 H +TER +ATOM 22016 O WAT 6983 10.203 20.161 54.555 1.00 0.00 O +ATOM 22017 H1 WAT 6983 10.622 19.974 53.715 1.00 0.00 H +ATOM 22018 H2 WAT 6983 9.897 19.309 54.866 1.00 0.00 H +TER +ATOM 22019 O WAT 6984 13.702 25.073 58.253 1.00 0.00 O +ATOM 22020 H1 WAT 6984 13.327 24.306 57.821 1.00 0.00 H +ATOM 22021 H2 WAT 6984 12.973 25.455 58.741 1.00 0.00 H +TER +ATOM 22022 O WAT 6985 12.977 23.299 61.554 1.00 0.00 O +ATOM 22023 H1 WAT 6985 13.501 22.805 60.923 1.00 0.00 H +ATOM 22024 H2 WAT 6985 13.563 23.434 62.299 1.00 0.00 H +TER +ATOM 22025 O WAT 6986 13.156 23.383 65.076 1.00 0.00 O +ATOM 22026 H1 WAT 6986 12.207 23.349 65.190 1.00 0.00 H +ATOM 22027 H2 WAT 6986 13.338 24.293 64.841 1.00 0.00 H +TER +ATOM 22028 O WAT 6987 12.467 22.556 57.493 1.00 0.00 O +ATOM 22029 H1 WAT 6987 12.963 22.323 58.278 1.00 0.00 H +ATOM 22030 H2 WAT 6987 12.269 21.717 57.077 1.00 0.00 H +TER +ATOM 22031 O WAT 6988 13.896 21.192 60.027 1.00 0.00 O +ATOM 22032 H1 WAT 6988 13.786 21.038 60.965 1.00 0.00 H +ATOM 22033 H2 WAT 6988 14.657 20.664 59.784 1.00 0.00 H +TER +ATOM 22034 O WAT 6989 14.785 19.023 53.267 1.00 0.00 O +ATOM 22035 H1 WAT 6989 15.710 18.891 53.059 1.00 0.00 H +ATOM 22036 H2 WAT 6989 14.763 19.102 54.221 1.00 0.00 H +TER +ATOM 22037 O WAT 6990 14.859 19.794 55.893 1.00 0.00 O +ATOM 22038 H1 WAT 6990 14.064 19.729 56.422 1.00 0.00 H +ATOM 22039 H2 WAT 6990 15.063 20.729 55.882 1.00 0.00 H +TER +ATOM 22040 O WAT 6991 11.801 33.833 59.887 1.00 0.00 O +ATOM 22041 H1 WAT 6991 12.397 33.512 59.210 1.00 0.00 H +ATOM 22042 H2 WAT 6991 12.059 33.361 60.678 1.00 0.00 H +TER +ATOM 22043 O WAT 6992 3.408 31.821 65.637 1.00 0.00 O +ATOM 22044 H1 WAT 6992 3.167 32.089 64.750 1.00 0.00 H +ATOM 22045 H2 WAT 6992 4.348 31.992 65.692 1.00 0.00 H +TER +ATOM 22046 O WAT 6993 12.352 34.483 63.717 1.00 0.00 O +ATOM 22047 H1 WAT 6993 11.892 35.235 63.342 1.00 0.00 H +ATOM 22048 H2 WAT 6993 11.723 33.764 63.658 1.00 0.00 H +TER +ATOM 22049 O WAT 6994 2.782 32.792 62.891 1.00 0.00 O +ATOM 22050 H1 WAT 6994 3.298 32.180 62.366 1.00 0.00 H +ATOM 22051 H2 WAT 6994 3.431 33.295 63.383 1.00 0.00 H +TER +ATOM 22052 O WAT 6995 5.521 33.683 63.718 1.00 0.00 O +ATOM 22053 H1 WAT 6995 5.809 33.428 62.842 1.00 0.00 H +ATOM 22054 H2 WAT 6995 6.034 33.130 64.309 1.00 0.00 H +TER +ATOM 22055 O WAT 6996 6.739 17.422 64.298 1.00 0.00 O +ATOM 22056 H1 WAT 6996 5.956 17.896 64.578 1.00 0.00 H +ATOM 22057 H2 WAT 6996 6.445 16.517 64.189 1.00 0.00 H +TER +ATOM 22058 O WAT 6997 11.291 18.124 62.343 1.00 0.00 O +ATOM 22059 H1 WAT 6997 11.732 18.068 61.495 1.00 0.00 H +ATOM 22060 H2 WAT 6997 11.022 19.040 62.414 1.00 0.00 H +TER +ATOM 22061 O WAT 6998 13.155 17.755 60.354 1.00 0.00 O +ATOM 22062 H1 WAT 6998 13.094 16.812 60.207 1.00 0.00 H +ATOM 22063 H2 WAT 6998 13.934 17.863 60.899 1.00 0.00 H +TER +ATOM 22064 O WAT 6999 4.624 19.840 59.810 1.00 0.00 O +ATOM 22065 H1 WAT 6999 3.812 19.466 59.469 1.00 0.00 H +ATOM 22066 H2 WAT 6999 5.129 19.085 60.112 1.00 0.00 H +TER +ATOM 22067 O WAT 7000 9.127 16.505 61.048 1.00 0.00 O +ATOM 22068 H1 WAT 7000 9.730 17.077 61.523 1.00 0.00 H +ATOM 22069 H2 WAT 7000 8.386 17.068 60.825 1.00 0.00 H +TER +ATOM 22070 O WAT 7001 12.270 16.907 56.322 1.00 0.00 O +ATOM 22071 H1 WAT 7001 12.465 17.805 56.589 1.00 0.00 H +ATOM 22072 H2 WAT 7001 11.483 16.675 56.815 1.00 0.00 H +TER +ATOM 22073 O WAT 7002 2.649 17.990 58.414 1.00 0.00 O +ATOM 22074 H1 WAT 7002 2.020 17.289 58.581 1.00 0.00 H +ATOM 22075 H2 WAT 7002 2.110 18.751 58.197 1.00 0.00 H +TER +ATOM 22076 O WAT 7003 13.823 34.147 58.083 1.00 0.00 O +ATOM 22077 H1 WAT 7003 13.998 33.461 57.439 1.00 0.00 H +ATOM 22078 H2 WAT 7003 13.125 34.671 57.690 1.00 0.00 H +TER +ATOM 22079 O WAT 7004 8.282 24.703 41.791 1.00 0.00 O +ATOM 22080 H1 WAT 7004 8.202 23.789 41.520 1.00 0.00 H +ATOM 22081 H2 WAT 7004 7.869 25.200 41.085 1.00 0.00 H +TER +ATOM 22082 O WAT 7005 6.414 26.481 43.672 1.00 0.00 O +ATOM 22083 H1 WAT 7005 5.638 26.001 43.962 1.00 0.00 H +ATOM 22084 H2 WAT 7005 7.065 25.802 43.497 1.00 0.00 H +TER +ATOM 22085 O WAT 7006 10.435 30.887 42.452 1.00 0.00 O +ATOM 22086 H1 WAT 7006 9.973 30.116 42.780 1.00 0.00 H +ATOM 22087 H2 WAT 7006 11.247 30.914 42.957 1.00 0.00 H +TER +ATOM 22088 O WAT 7007 6.661 33.173 42.072 1.00 0.00 O +ATOM 22089 H1 WAT 7007 6.042 33.629 41.502 1.00 0.00 H +ATOM 22090 H2 WAT 7007 7.516 33.328 41.671 1.00 0.00 H +TER +ATOM 22091 O WAT 7008 5.855 29.157 43.679 1.00 0.00 O +ATOM 22092 H1 WAT 7008 5.786 28.216 43.518 1.00 0.00 H +ATOM 22093 H2 WAT 7008 6.617 29.247 44.251 1.00 0.00 H +TER +ATOM 22094 O WAT 7009 6.885 21.964 43.906 1.00 0.00 O +ATOM 22095 H1 WAT 7009 7.262 21.091 43.793 1.00 0.00 H +ATOM 22096 H2 WAT 7009 6.787 22.300 43.015 1.00 0.00 H +TER +ATOM 22097 O WAT 7010 10.668 19.459 40.839 1.00 0.00 O +ATOM 22098 H1 WAT 7010 11.489 18.969 40.881 1.00 0.00 H +ATOM 22099 H2 WAT 7010 10.701 20.049 41.592 1.00 0.00 H +TER +ATOM 22100 O WAT 7011 2.857 23.305 43.700 1.00 0.00 O +ATOM 22101 H1 WAT 7011 3.365 23.803 44.341 1.00 0.00 H +ATOM 22102 H2 WAT 7011 3.388 22.529 43.524 1.00 0.00 H +TER +ATOM 22103 O WAT 7012 14.958 21.476 47.403 1.00 0.00 O +ATOM 22104 H1 WAT 7012 14.253 21.864 46.884 1.00 0.00 H +ATOM 22105 H2 WAT 7012 15.224 22.171 48.005 1.00 0.00 H +TER +ATOM 22106 O WAT 7013 7.527 28.057 39.465 1.00 0.00 O +ATOM 22107 H1 WAT 7013 6.909 28.522 38.902 1.00 0.00 H +ATOM 22108 H2 WAT 7013 8.040 28.750 39.882 1.00 0.00 H +TER +ATOM 22109 O WAT 7014 2.391 27.585 46.144 1.00 0.00 O +ATOM 22110 H1 WAT 7014 2.058 28.211 46.786 1.00 0.00 H +ATOM 22111 H2 WAT 7014 2.567 28.111 45.364 1.00 0.00 H +TER +ATOM 22112 O WAT 7015 10.904 21.399 43.611 1.00 0.00 O +ATOM 22113 H1 WAT 7015 10.200 21.688 44.192 1.00 0.00 H +ATOM 22114 H2 WAT 7015 11.265 22.209 43.251 1.00 0.00 H +TER +ATOM 22115 O WAT 7016 12.520 31.017 45.874 1.00 0.00 O +ATOM 22116 H1 WAT 7016 11.837 31.686 45.866 1.00 0.00 H +ATOM 22117 H2 WAT 7016 13.060 31.215 45.109 1.00 0.00 H +TER +ATOM 22118 O WAT 7017 13.973 20.845 44.002 1.00 0.00 O +ATOM 22119 H1 WAT 7017 13.025 20.878 44.134 1.00 0.00 H +ATOM 22120 H2 WAT 7017 14.298 21.658 44.387 1.00 0.00 H +TER +ATOM 22121 O WAT 7018 4.505 17.144 42.298 1.00 0.00 O +ATOM 22122 H1 WAT 7018 4.812 16.589 41.581 1.00 0.00 H +ATOM 22123 H2 WAT 7018 3.575 17.279 42.115 1.00 0.00 H +TER +ATOM 22124 O WAT 7019 10.056 32.861 44.589 1.00 0.00 O +ATOM 22125 H1 WAT 7019 10.069 32.457 43.721 1.00 0.00 H +ATOM 22126 H2 WAT 7019 9.504 33.636 44.485 1.00 0.00 H +TER +ATOM 22127 O WAT 7020 11.351 29.583 39.678 1.00 0.00 O +ATOM 22128 H1 WAT 7020 11.240 28.640 39.803 1.00 0.00 H +ATOM 22129 H2 WAT 7020 11.347 29.944 40.564 1.00 0.00 H +TER +ATOM 22130 O WAT 7021 9.455 27.764 45.917 1.00 0.00 O +ATOM 22131 H1 WAT 7021 9.872 27.550 45.082 1.00 0.00 H +ATOM 22132 H2 WAT 7021 10.179 28.021 46.488 1.00 0.00 H +TER +ATOM 22133 O WAT 7022 6.893 25.209 39.034 1.00 0.00 O +ATOM 22134 H1 WAT 7022 5.966 25.143 39.263 1.00 0.00 H +ATOM 22135 H2 WAT 7022 7.045 26.147 38.919 1.00 0.00 H +TER +ATOM 22136 O WAT 7023 6.880 21.481 36.031 1.00 0.00 O +ATOM 22137 H1 WAT 7023 5.940 21.642 36.116 1.00 0.00 H +ATOM 22138 H2 WAT 7023 7.198 22.199 35.484 1.00 0.00 H +TER +ATOM 22139 O WAT 7024 13.401 26.163 46.008 1.00 0.00 O +ATOM 22140 H1 WAT 7024 12.573 26.232 45.534 1.00 0.00 H +ATOM 22141 H2 WAT 7024 13.996 26.748 45.540 1.00 0.00 H +TER +ATOM 22142 O WAT 7025 10.922 26.771 39.537 1.00 0.00 O +ATOM 22143 H1 WAT 7025 10.304 26.433 38.890 1.00 0.00 H +ATOM 22144 H2 WAT 7025 10.905 26.127 40.245 1.00 0.00 H +TER +ATOM 22145 O WAT 7026 10.365 22.950 46.954 1.00 0.00 O +ATOM 22146 H1 WAT 7026 9.952 23.775 47.208 1.00 0.00 H +ATOM 22147 H2 WAT 7026 9.633 22.364 46.762 1.00 0.00 H +TER +ATOM 22148 O WAT 7027 2.498 25.736 41.816 1.00 0.00 O +ATOM 22149 H1 WAT 7027 2.094 25.023 41.320 1.00 0.00 H +ATOM 22150 H2 WAT 7027 2.585 25.391 42.705 1.00 0.00 H +TER +ATOM 22151 O WAT 7028 2.967 29.422 43.980 1.00 0.00 O +ATOM 22152 H1 WAT 7028 2.669 28.817 43.301 1.00 0.00 H +ATOM 22153 H2 WAT 7028 3.917 29.460 43.869 1.00 0.00 H +TER +ATOM 22154 O WAT 7029 11.055 32.996 47.642 1.00 0.00 O +ATOM 22155 H1 WAT 7029 10.578 33.803 47.449 1.00 0.00 H +ATOM 22156 H2 WAT 7029 10.371 32.343 47.795 1.00 0.00 H +TER +ATOM 22157 O WAT 7030 9.099 26.010 36.545 1.00 0.00 O +ATOM 22158 H1 WAT 7030 9.538 25.172 36.398 1.00 0.00 H +ATOM 22159 H2 WAT 7030 9.812 26.643 36.631 1.00 0.00 H +TER +ATOM 22160 O WAT 7031 7.208 30.949 40.513 1.00 0.00 O +ATOM 22161 H1 WAT 7031 7.648 31.692 40.098 1.00 0.00 H +ATOM 22162 H2 WAT 7031 7.147 31.192 41.437 1.00 0.00 H +TER +ATOM 22163 O WAT 7032 2.684 31.974 51.415 1.00 0.00 O +ATOM 22164 H1 WAT 7032 2.655 32.378 50.548 1.00 0.00 H +ATOM 22165 H2 WAT 7032 2.520 31.045 51.252 1.00 0.00 H +TER +ATOM 22166 O WAT 7033 12.681 17.264 34.859 1.00 0.00 O +ATOM 22167 H1 WAT 7033 12.368 17.357 35.759 1.00 0.00 H +ATOM 22168 H2 WAT 7033 13.442 17.842 34.809 1.00 0.00 H +TER +ATOM 22169 O WAT 7034 14.635 32.757 52.711 1.00 0.00 O +ATOM 22170 H1 WAT 7034 15.111 33.235 53.390 1.00 0.00 H +ATOM 22171 H2 WAT 7034 15.256 32.688 51.986 1.00 0.00 H +TER +ATOM 22172 O WAT 7035 14.038 29.948 49.871 1.00 0.00 O +ATOM 22173 H1 WAT 7035 14.165 29.709 48.953 1.00 0.00 H +ATOM 22174 H2 WAT 7035 14.080 29.116 50.343 1.00 0.00 H +TER +ATOM 22175 O WAT 7036 7.900 33.651 48.441 1.00 0.00 O +ATOM 22176 H1 WAT 7036 8.414 33.562 49.243 1.00 0.00 H +ATOM 22177 H2 WAT 7036 7.057 33.997 48.733 1.00 0.00 H +TER +ATOM 22178 O WAT 7037 9.875 33.936 37.869 1.00 0.00 O +ATOM 22179 H1 WAT 7037 9.716 33.647 38.767 1.00 0.00 H +ATOM 22180 H2 WAT 7037 9.710 33.160 37.334 1.00 0.00 H +TER +ATOM 22181 O WAT 7038 9.578 31.445 36.429 1.00 0.00 O +ATOM 22182 H1 WAT 7038 8.885 31.443 35.769 1.00 0.00 H +ATOM 22183 H2 WAT 7038 10.320 31.021 35.998 1.00 0.00 H +TER +ATOM 22184 O WAT 7039 9.143 33.071 40.504 1.00 0.00 O +ATOM 22185 H1 WAT 7039 9.599 32.290 40.818 1.00 0.00 H +ATOM 22186 H2 WAT 7039 9.482 33.782 41.048 1.00 0.00 H +TER +ATOM 22187 O WAT 7040 13.891 22.001 50.836 1.00 0.00 O +ATOM 22188 H1 WAT 7040 13.275 22.509 50.308 1.00 0.00 H +ATOM 22189 H2 WAT 7040 13.570 21.101 50.779 1.00 0.00 H +TER +ATOM 22190 O WAT 7041 5.952 20.840 48.302 1.00 0.00 O +ATOM 22191 H1 WAT 7041 5.490 21.049 49.114 1.00 0.00 H +ATOM 22192 H2 WAT 7041 5.550 20.026 47.999 1.00 0.00 H +TER +ATOM 22193 O WAT 7042 10.953 22.061 49.432 1.00 0.00 O +ATOM 22194 H1 WAT 7042 10.102 21.762 49.753 1.00 0.00 H +ATOM 22195 H2 WAT 7042 10.793 22.306 48.520 1.00 0.00 H +TER +ATOM 22196 O WAT 7043 8.048 23.562 51.532 1.00 0.00 O +ATOM 22197 H1 WAT 7043 8.373 22.728 51.192 1.00 0.00 H +ATOM 22198 H2 WAT 7043 8.836 24.084 51.680 1.00 0.00 H +TER +ATOM 22199 O WAT 7044 4.781 17.595 37.579 1.00 0.00 O +ATOM 22200 H1 WAT 7044 4.156 17.591 38.305 1.00 0.00 H +ATOM 22201 H2 WAT 7044 4.694 16.728 37.183 1.00 0.00 H +TER +ATOM 22202 O WAT 7045 3.703 18.518 44.558 1.00 0.00 O +ATOM 22203 H1 WAT 7045 4.000 19.425 44.477 1.00 0.00 H +ATOM 22204 H2 WAT 7045 4.251 18.030 43.944 1.00 0.00 H +TER +ATOM 22205 O WAT 7046 8.686 23.103 39.026 1.00 0.00 O +ATOM 22206 H1 WAT 7046 8.087 23.827 38.842 1.00 0.00 H +ATOM 22207 H2 WAT 7046 9.234 23.041 38.244 1.00 0.00 H +TER +ATOM 22208 O WAT 7047 3.897 23.996 51.093 1.00 0.00 O +ATOM 22209 H1 WAT 7047 3.801 23.055 50.943 1.00 0.00 H +ATOM 22210 H2 WAT 7047 4.740 24.217 50.698 1.00 0.00 H +TER +ATOM 22211 O WAT 7048 7.293 21.740 41.056 1.00 0.00 O +ATOM 22212 H1 WAT 7048 7.686 22.057 40.243 1.00 0.00 H +ATOM 22213 H2 WAT 7048 7.655 20.861 41.171 1.00 0.00 H +TER +ATOM 22214 O WAT 7049 5.602 20.490 52.316 1.00 0.00 O +ATOM 22215 H1 WAT 7049 4.912 20.298 52.951 1.00 0.00 H +ATOM 22216 H2 WAT 7049 6.345 20.774 52.849 1.00 0.00 H +TER +ATOM 22217 O WAT 7050 7.878 24.330 45.151 1.00 0.00 O +ATOM 22218 H1 WAT 7050 7.147 24.839 45.500 1.00 0.00 H +ATOM 22219 H2 WAT 7050 7.481 23.513 44.850 1.00 0.00 H +TER +ATOM 22220 O WAT 7051 4.316 21.006 43.557 1.00 0.00 O +ATOM 22221 H1 WAT 7051 4.320 20.565 42.707 1.00 0.00 H +ATOM 22222 H2 WAT 7051 5.211 21.327 43.664 1.00 0.00 H +TER +ATOM 22223 O WAT 7052 4.378 22.007 36.547 1.00 0.00 O +ATOM 22224 H1 WAT 7052 4.499 21.965 37.496 1.00 0.00 H +ATOM 22225 H2 WAT 7052 3.993 22.869 36.392 1.00 0.00 H +TER +ATOM 22226 O WAT 7053 8.341 19.784 44.564 1.00 0.00 O +ATOM 22227 H1 WAT 7053 8.358 20.234 45.408 1.00 0.00 H +ATOM 22228 H2 WAT 7053 8.093 18.884 44.777 1.00 0.00 H +TER +ATOM 22229 O WAT 7054 3.390 24.317 35.946 1.00 0.00 O +ATOM 22230 H1 WAT 7054 2.822 23.869 35.319 1.00 0.00 H +ATOM 22231 H2 WAT 7054 4.099 24.676 35.412 1.00 0.00 H +TER +ATOM 22232 O WAT 7055 11.768 17.197 50.402 1.00 0.00 O +ATOM 22233 H1 WAT 7055 12.093 16.466 50.928 1.00 0.00 H +ATOM 22234 H2 WAT 7055 11.804 16.878 49.501 1.00 0.00 H +TER +ATOM 22235 O WAT 7056 4.617 25.066 45.303 1.00 0.00 O +ATOM 22236 H1 WAT 7056 4.984 24.592 46.049 1.00 0.00 H +ATOM 22237 H2 WAT 7056 4.427 25.940 45.644 1.00 0.00 H +TER +ATOM 22238 O WAT 7057 2.407 24.107 47.622 1.00 0.00 O +ATOM 22239 H1 WAT 7057 2.103 24.986 47.847 1.00 0.00 H +ATOM 22240 H2 WAT 7057 3.362 24.167 47.657 1.00 0.00 H +TER +ATOM 22241 O WAT 7058 11.694 27.309 44.011 1.00 0.00 O +ATOM 22242 H1 WAT 7058 12.414 27.805 43.621 1.00 0.00 H +ATOM 22243 H2 WAT 7058 11.492 26.631 43.366 1.00 0.00 H +TER +ATOM 22244 O WAT 7059 7.155 18.703 38.154 1.00 0.00 O +ATOM 22245 H1 WAT 7059 6.341 18.204 38.078 1.00 0.00 H +ATOM 22246 H2 WAT 7059 6.961 19.543 37.738 1.00 0.00 H +TER +ATOM 22247 O WAT 7060 7.076 27.380 49.898 1.00 0.00 O +ATOM 22248 H1 WAT 7060 7.009 26.460 49.644 1.00 0.00 H +ATOM 22249 H2 WAT 7060 6.446 27.478 50.612 1.00 0.00 H +TER +ATOM 22250 O WAT 7061 9.870 23.075 36.450 1.00 0.00 O +ATOM 22251 H1 WAT 7061 10.758 23.387 36.275 1.00 0.00 H +ATOM 22252 H2 WAT 7061 9.840 22.202 36.058 1.00 0.00 H +TER +ATOM 22253 O WAT 7062 5.866 29.247 37.129 1.00 0.00 O +ATOM 22254 H1 WAT 7062 6.207 29.992 36.633 1.00 0.00 H +ATOM 22255 H2 WAT 7062 5.037 29.561 37.491 1.00 0.00 H +TER +ATOM 22256 O WAT 7063 7.007 30.202 49.648 1.00 0.00 O +ATOM 22257 H1 WAT 7063 7.022 29.270 49.430 1.00 0.00 H +ATOM 22258 H2 WAT 7063 6.300 30.288 50.287 1.00 0.00 H +TER +ATOM 22259 O WAT 7064 12.141 24.386 35.918 1.00 0.00 O +ATOM 22260 H1 WAT 7064 12.057 24.818 35.068 1.00 0.00 H +ATOM 22261 H2 WAT 7064 12.861 24.846 36.351 1.00 0.00 H +TER +ATOM 22262 O WAT 7065 13.219 26.843 48.995 1.00 0.00 O +ATOM 22263 H1 WAT 7065 12.493 27.436 48.798 1.00 0.00 H +ATOM 22264 H2 WAT 7065 13.746 26.835 48.196 1.00 0.00 H +TER +ATOM 22265 O WAT 7066 13.170 31.240 38.646 1.00 0.00 O +ATOM 22266 H1 WAT 7066 12.527 30.586 38.921 1.00 0.00 H +ATOM 22267 H2 WAT 7066 12.783 31.646 37.870 1.00 0.00 H +TER +ATOM 22268 O WAT 7067 8.748 28.569 42.494 1.00 0.00 O +ATOM 22269 H1 WAT 7067 9.101 27.972 41.834 1.00 0.00 H +ATOM 22270 H2 WAT 7067 7.865 28.243 42.664 1.00 0.00 H +TER +ATOM 22271 O WAT 7068 4.835 29.329 39.901 1.00 0.00 O +ATOM 22272 H1 WAT 7068 5.522 29.876 40.281 1.00 0.00 H +ATOM 22273 H2 WAT 7068 4.048 29.873 39.936 1.00 0.00 H +TER +ATOM 22274 O WAT 7069 4.138 26.333 39.513 1.00 0.00 O +ATOM 22275 H1 WAT 7069 4.594 27.144 39.739 1.00 0.00 H +ATOM 22276 H2 WAT 7069 3.786 26.016 40.345 1.00 0.00 H +TER +ATOM 22277 O WAT 7070 6.441 31.844 46.742 1.00 0.00 O +ATOM 22278 H1 WAT 7070 7.085 32.050 47.420 1.00 0.00 H +ATOM 22279 H2 WAT 7070 6.804 31.083 46.289 1.00 0.00 H +TER +ATOM 22280 O WAT 7071 7.714 29.847 45.460 1.00 0.00 O +ATOM 22281 H1 WAT 7071 8.356 29.147 45.573 1.00 0.00 H +ATOM 22282 H2 WAT 7071 8.239 30.627 45.280 1.00 0.00 H +TER +ATOM 22283 O WAT 7072 11.560 30.132 35.184 1.00 0.00 O +ATOM 22284 H1 WAT 7072 11.333 29.415 35.776 1.00 0.00 H +ATOM 22285 H2 WAT 7072 11.169 29.883 34.346 1.00 0.00 H +TER +ATOM 22286 O WAT 7073 9.488 30.647 48.664 1.00 0.00 O +ATOM 22287 H1 WAT 7073 9.823 31.233 49.341 1.00 0.00 H +ATOM 22288 H2 WAT 7073 8.568 30.516 48.893 1.00 0.00 H +TER +ATOM 22289 O WAT 7074 11.141 28.049 36.845 1.00 0.00 O +ATOM 22290 H1 WAT 7074 10.853 28.511 37.633 1.00 0.00 H +ATOM 22291 H2 WAT 7074 11.936 27.589 37.114 1.00 0.00 H +TER +ATOM 22292 O WAT 7075 5.317 30.696 51.832 1.00 0.00 O +ATOM 22293 H1 WAT 7075 4.996 29.977 52.377 1.00 0.00 H +ATOM 22294 H2 WAT 7075 4.642 31.371 51.906 1.00 0.00 H +TER +ATOM 22295 O WAT 7076 3.358 31.542 36.776 1.00 0.00 O +ATOM 22296 H1 WAT 7076 3.349 32.275 36.160 1.00 0.00 H +ATOM 22297 H2 WAT 7076 2.438 31.295 36.869 1.00 0.00 H +TER +ATOM 22298 O WAT 7077 8.532 20.929 47.196 1.00 0.00 O +ATOM 22299 H1 WAT 7077 8.900 20.108 47.524 1.00 0.00 H +ATOM 22300 H2 WAT 7077 7.672 20.989 47.612 1.00 0.00 H +TER +ATOM 22301 O WAT 7078 11.898 19.884 38.005 1.00 0.00 O +ATOM 22302 H1 WAT 7078 11.269 19.989 37.291 1.00 0.00 H +ATOM 22303 H2 WAT 7078 11.403 20.104 38.794 1.00 0.00 H +TER +ATOM 22304 O WAT 7079 6.344 31.605 35.438 1.00 0.00 O +ATOM 22305 H1 WAT 7079 6.445 31.401 34.509 1.00 0.00 H +ATOM 22306 H2 WAT 7079 5.444 31.351 35.643 1.00 0.00 H +TER +ATOM 22307 O WAT 7080 3.867 22.163 39.421 1.00 0.00 O +ATOM 22308 H1 WAT 7080 3.158 22.631 39.862 1.00 0.00 H +ATOM 22309 H2 WAT 7080 4.151 21.505 40.055 1.00 0.00 H +TER +ATOM 22310 O WAT 7081 5.492 23.582 47.420 1.00 0.00 O +ATOM 22311 H1 WAT 7081 5.991 24.057 48.085 1.00 0.00 H +ATOM 22312 H2 WAT 7081 5.634 22.659 47.627 1.00 0.00 H +TER +ATOM 22313 O WAT 7082 7.898 18.888 40.860 1.00 0.00 O +ATOM 22314 H1 WAT 7082 7.775 18.906 39.911 1.00 0.00 H +ATOM 22315 H2 WAT 7082 8.847 18.936 40.980 1.00 0.00 H +TER +ATOM 22316 O WAT 7083 4.986 34.123 40.133 1.00 0.00 O +ATOM 22317 H1 WAT 7083 5.240 34.086 39.211 1.00 0.00 H +ATOM 22318 H2 WAT 7083 4.037 33.997 40.126 1.00 0.00 H +TER +ATOM 22319 O WAT 7084 12.699 19.799 48.263 1.00 0.00 O +ATOM 22320 H1 WAT 7084 12.196 20.540 48.602 1.00 0.00 H +ATOM 22321 H2 WAT 7084 13.515 20.188 47.946 1.00 0.00 H +TER +ATOM 22322 O WAT 7085 10.991 25.043 41.709 1.00 0.00 O +ATOM 22323 H1 WAT 7085 10.050 25.058 41.884 1.00 0.00 H +ATOM 22324 H2 WAT 7085 11.305 24.256 42.155 1.00 0.00 H +TER +ATOM 22325 O WAT 7086 12.994 32.213 43.384 1.00 0.00 O +ATOM 22326 H1 WAT 7086 13.118 33.037 43.857 1.00 0.00 H +ATOM 22327 H2 WAT 7086 13.860 32.003 43.037 1.00 0.00 H +TER +ATOM 22328 O WAT 7087 3.576 33.480 34.879 1.00 0.00 O +ATOM 22329 H1 WAT 7087 4.368 33.768 34.427 1.00 0.00 H +ATOM 22330 H2 WAT 7087 3.056 33.049 34.200 1.00 0.00 H +TER +ATOM 22331 O WAT 7088 8.308 29.599 52.192 1.00 0.00 O +ATOM 22332 H1 WAT 7088 7.701 29.622 51.452 1.00 0.00 H +ATOM 22333 H2 WAT 7088 8.003 28.867 52.729 1.00 0.00 H +TER +ATOM 22334 O WAT 7089 9.738 33.327 50.803 1.00 0.00 O +ATOM 22335 H1 WAT 7089 10.690 33.243 50.753 1.00 0.00 H +ATOM 22336 H2 WAT 7089 9.591 33.991 51.477 1.00 0.00 H +TER +ATOM 22337 O WAT 7090 12.629 32.707 36.302 1.00 0.00 O +ATOM 22338 H1 WAT 7090 12.343 32.293 35.488 1.00 0.00 H +ATOM 22339 H2 WAT 7090 12.431 33.635 36.182 1.00 0.00 H +TER +ATOM 22340 O WAT 7091 4.093 28.700 34.743 1.00 0.00 O +ATOM 22341 H1 WAT 7091 3.988 28.085 35.469 1.00 0.00 H +ATOM 22342 H2 WAT 7091 3.926 28.177 33.959 1.00 0.00 H +TER +ATOM 22343 O WAT 7092 4.245 27.386 50.722 1.00 0.00 O +ATOM 22344 H1 WAT 7092 3.479 27.954 50.637 1.00 0.00 H +ATOM 22345 H2 WAT 7092 4.426 27.093 49.829 1.00 0.00 H +TER +ATOM 22346 O WAT 7093 7.334 27.762 35.347 1.00 0.00 O +ATOM 22347 H1 WAT 7093 6.785 28.209 35.991 1.00 0.00 H +ATOM 22348 H2 WAT 7093 7.956 27.257 35.871 1.00 0.00 H +TER +ATOM 22349 O WAT 7094 11.387 29.116 51.279 1.00 0.00 O +ATOM 22350 H1 WAT 7094 12.128 29.454 50.776 1.00 0.00 H +ATOM 22351 H2 WAT 7094 10.624 29.285 50.726 1.00 0.00 H +TER +ATOM 22352 O WAT 7095 3.001 26.721 37.244 1.00 0.00 O +ATOM 22353 H1 WAT 7095 3.423 26.555 38.087 1.00 0.00 H +ATOM 22354 H2 WAT 7095 3.126 25.911 36.749 1.00 0.00 H +TER +ATOM 22355 O WAT 7096 5.514 25.745 34.491 1.00 0.00 O +ATOM 22356 H1 WAT 7096 6.034 25.030 34.125 1.00 0.00 H +ATOM 22357 H2 WAT 7096 6.161 26.383 34.791 1.00 0.00 H +TER +ATOM 22358 O WAT 7097 10.062 27.168 49.815 1.00 0.00 O +ATOM 22359 H1 WAT 7097 10.476 27.322 50.664 1.00 0.00 H +ATOM 22360 H2 WAT 7097 9.127 27.293 49.977 1.00 0.00 H +TER +ATOM 22361 O WAT 7098 10.534 24.507 51.819 1.00 0.00 O +ATOM 22362 H1 WAT 7098 11.116 23.752 51.731 1.00 0.00 H +ATOM 22363 H2 WAT 7098 10.710 25.038 51.042 1.00 0.00 H +TER +ATOM 22364 O WAT 7099 4.417 18.224 47.163 1.00 0.00 O +ATOM 22365 H1 WAT 7099 3.969 18.247 46.318 1.00 0.00 H +ATOM 22366 H2 WAT 7099 3.784 17.826 47.760 1.00 0.00 H +TER +ATOM 22367 O WAT 7100 4.823 27.120 47.784 1.00 0.00 O +ATOM 22368 H1 WAT 7100 5.242 27.963 47.612 1.00 0.00 H +ATOM 22369 H2 WAT 7100 3.904 27.257 47.555 1.00 0.00 H +TER +ATOM 22370 O WAT 7101 7.160 24.851 49.168 1.00 0.00 O +ATOM 22371 H1 WAT 7101 7.279 24.255 49.908 1.00 0.00 H +ATOM 22372 H2 WAT 7101 8.019 24.888 48.748 1.00 0.00 H +TER +ATOM 22373 O WAT 7102 9.498 25.405 47.744 1.00 0.00 O +ATOM 22374 H1 WAT 7102 8.972 25.929 47.141 1.00 0.00 H +ATOM 22375 H2 WAT 7102 9.842 26.038 48.375 1.00 0.00 H +TER +ATOM 22376 O WAT 7103 2.674 33.425 48.900 1.00 0.00 O +ATOM 22377 H1 WAT 7103 2.136 34.150 48.581 1.00 0.00 H +ATOM 22378 H2 WAT 7103 2.927 32.948 48.110 1.00 0.00 H +TER +ATOM 22379 O WAT 7104 3.926 21.393 50.426 1.00 0.00 O +ATOM 22380 H1 WAT 7104 4.516 21.085 51.114 1.00 0.00 H +ATOM 22381 H2 WAT 7104 3.108 20.921 50.582 1.00 0.00 H +TER +ATOM 22382 O WAT 7105 8.746 21.010 50.659 1.00 0.00 O +ATOM 22383 H1 WAT 7105 8.057 20.348 50.594 1.00 0.00 H +ATOM 22384 H2 WAT 7105 9.466 20.564 51.104 1.00 0.00 H +TER +ATOM 22385 O WAT 7106 9.376 17.605 36.718 1.00 0.00 O +ATOM 22386 H1 WAT 7106 9.656 16.762 37.074 1.00 0.00 H +ATOM 22387 H2 WAT 7106 8.602 17.838 37.232 1.00 0.00 H +TER +ATOM 22388 O WAT 7107 5.530 34.660 49.159 1.00 0.00 O +ATOM 22389 H1 WAT 7107 5.456 35.564 49.466 1.00 0.00 H +ATOM 22390 H2 WAT 7107 4.628 34.341 49.131 1.00 0.00 H +TER +ATOM 22391 O WAT 7108 3.914 18.838 35.163 1.00 0.00 O +ATOM 22392 H1 WAT 7108 3.566 18.160 34.583 1.00 0.00 H +ATOM 22393 H2 WAT 7108 4.115 18.377 35.977 1.00 0.00 H +TER +ATOM 22394 O WAT 7109 6.079 33.826 36.781 1.00 0.00 O +ATOM 22395 H1 WAT 7109 6.974 34.164 36.803 1.00 0.00 H +ATOM 22396 H2 WAT 7109 6.110 33.104 36.154 1.00 0.00 H +TER +ATOM 22397 O WAT 7110 13.058 32.356 49.488 1.00 0.00 O +ATOM 22398 H1 WAT 7110 12.458 32.416 48.745 1.00 0.00 H +ATOM 22399 H2 WAT 7110 13.188 31.417 49.618 1.00 0.00 H +TER +ATOM 22400 O WAT 7111 13.754 26.843 37.328 1.00 0.00 O +ATOM 22401 H1 WAT 7111 14.516 27.413 37.434 1.00 0.00 H +ATOM 22402 H2 WAT 7111 13.769 26.276 38.099 1.00 0.00 H +TER +ATOM 22403 O WAT 7112 11.743 29.082 47.586 1.00 0.00 O +ATOM 22404 H1 WAT 7112 10.929 29.511 47.848 1.00 0.00 H +ATOM 22405 H2 WAT 7112 12.151 29.693 46.973 1.00 0.00 H +TER +ATOM 22406 O WAT 7113 10.203 20.161 35.781 1.00 0.00 O +ATOM 22407 H1 WAT 7113 10.622 19.974 34.941 1.00 0.00 H +ATOM 22408 H2 WAT 7113 9.897 19.309 36.091 1.00 0.00 H +TER +ATOM 22409 O WAT 7114 13.702 25.073 39.479 1.00 0.00 O +ATOM 22410 H1 WAT 7114 13.327 24.306 39.047 1.00 0.00 H +ATOM 22411 H2 WAT 7114 12.973 25.455 39.966 1.00 0.00 H +TER +ATOM 22412 O WAT 7115 13.092 24.220 49.113 1.00 0.00 O +ATOM 22413 H1 WAT 7115 12.861 23.992 48.212 1.00 0.00 H +ATOM 22414 H2 WAT 7115 13.353 25.140 49.067 1.00 0.00 H +TER +ATOM 22415 O WAT 7116 11.531 19.446 51.891 1.00 0.00 O +ATOM 22416 H1 WAT 7116 12.408 19.454 52.274 1.00 0.00 H +ATOM 22417 H2 WAT 7116 11.543 18.709 51.280 1.00 0.00 H +TER +ATOM 22418 O WAT 7117 12.977 23.299 42.779 1.00 0.00 O +ATOM 22419 H1 WAT 7117 13.501 22.805 42.148 1.00 0.00 H +ATOM 22420 H2 WAT 7117 13.563 23.434 43.524 1.00 0.00 H +TER +ATOM 22421 O WAT 7118 13.156 23.383 46.301 1.00 0.00 O +ATOM 22422 H1 WAT 7118 12.207 23.349 46.416 1.00 0.00 H +ATOM 22423 H2 WAT 7118 13.338 24.293 46.066 1.00 0.00 H +TER +ATOM 22424 O WAT 7119 12.467 22.556 38.719 1.00 0.00 O +ATOM 22425 H1 WAT 7119 12.963 22.323 39.504 1.00 0.00 H +ATOM 22426 H2 WAT 7119 12.269 21.717 38.302 1.00 0.00 H +TER +ATOM 22427 O WAT 7120 13.896 21.192 41.252 1.00 0.00 O +ATOM 22428 H1 WAT 7120 13.786 21.038 42.191 1.00 0.00 H +ATOM 22429 H2 WAT 7120 14.657 20.664 41.010 1.00 0.00 H +TER +ATOM 22430 O WAT 7121 12.243 17.132 47.711 1.00 0.00 O +ATOM 22431 H1 WAT 7121 12.880 17.745 48.077 1.00 0.00 H +ATOM 22432 H2 WAT 7121 12.390 17.168 46.766 1.00 0.00 H +TER +ATOM 22433 O WAT 7122 14.785 19.023 34.493 1.00 0.00 O +ATOM 22434 H1 WAT 7122 15.710 18.891 34.285 1.00 0.00 H +ATOM 22435 H2 WAT 7122 14.763 19.102 35.447 1.00 0.00 H +TER +ATOM 22436 O WAT 7123 14.859 19.794 37.119 1.00 0.00 O +ATOM 22437 H1 WAT 7123 14.064 19.729 37.648 1.00 0.00 H +ATOM 22438 H2 WAT 7123 15.063 20.729 37.107 1.00 0.00 H +TER +ATOM 22439 O WAT 7124 11.801 33.833 41.113 1.00 0.00 O +ATOM 22440 H1 WAT 7124 12.397 33.512 40.436 1.00 0.00 H +ATOM 22441 H2 WAT 7124 12.059 33.361 41.904 1.00 0.00 H +TER +ATOM 22442 O WAT 7125 3.408 31.821 46.863 1.00 0.00 O +ATOM 22443 H1 WAT 7125 3.167 32.089 45.976 1.00 0.00 H +ATOM 22444 H2 WAT 7125 4.348 31.992 46.918 1.00 0.00 H +TER +ATOM 22445 O WAT 7126 5.613 18.284 50.618 1.00 0.00 O +ATOM 22446 H1 WAT 7126 5.552 18.877 51.368 1.00 0.00 H +ATOM 22447 H2 WAT 7126 6.553 18.177 50.473 1.00 0.00 H +TER +ATOM 22448 O WAT 7127 8.251 17.941 50.257 1.00 0.00 O +ATOM 22449 H1 WAT 7127 8.865 18.259 49.596 1.00 0.00 H +ATOM 22450 H2 WAT 7127 8.796 17.456 50.877 1.00 0.00 H +TER +ATOM 22451 O WAT 7128 14.668 33.841 47.664 1.00 0.00 O +ATOM 22452 H1 WAT 7128 14.174 34.237 46.946 1.00 0.00 H +ATOM 22453 H2 WAT 7128 14.059 33.216 48.057 1.00 0.00 H +TER +ATOM 22454 O WAT 7129 8.991 16.505 46.584 1.00 0.00 O +ATOM 22455 H1 WAT 7129 8.117 16.838 46.382 1.00 0.00 H +ATOM 22456 H2 WAT 7129 8.883 16.032 47.410 1.00 0.00 H +TER +ATOM 22457 O WAT 7130 9.899 18.712 47.969 1.00 0.00 O +ATOM 22458 H1 WAT 7130 9.570 17.897 47.589 1.00 0.00 H +ATOM 22459 H2 WAT 7130 10.847 18.669 47.845 1.00 0.00 H +TER +ATOM 22460 O WAT 7131 12.352 34.483 44.942 1.00 0.00 O +ATOM 22461 H1 WAT 7131 11.892 35.235 44.568 1.00 0.00 H +ATOM 22462 H2 WAT 7131 11.723 33.764 44.884 1.00 0.00 H +TER +ATOM 22463 O WAT 7132 2.782 32.792 44.117 1.00 0.00 O +ATOM 22464 H1 WAT 7132 3.298 32.180 43.592 1.00 0.00 H +ATOM 22465 H2 WAT 7132 3.431 33.295 44.608 1.00 0.00 H +TER +ATOM 22466 O WAT 7133 5.521 33.683 44.944 1.00 0.00 O +ATOM 22467 H1 WAT 7133 5.809 33.428 44.067 1.00 0.00 H +ATOM 22468 H2 WAT 7133 6.034 33.130 45.535 1.00 0.00 H +TER +ATOM 22469 O WAT 7134 6.739 17.422 45.524 1.00 0.00 O +ATOM 22470 H1 WAT 7134 5.956 17.896 45.803 1.00 0.00 H +ATOM 22471 H2 WAT 7134 6.445 16.517 45.415 1.00 0.00 H +TER +ATOM 22472 O WAT 7135 11.291 18.124 43.569 1.00 0.00 O +ATOM 22473 H1 WAT 7135 11.732 18.068 42.721 1.00 0.00 H +ATOM 22474 H2 WAT 7135 11.022 19.040 43.640 1.00 0.00 H +TER +ATOM 22475 O WAT 7136 13.155 17.755 41.579 1.00 0.00 O +ATOM 22476 H1 WAT 7136 13.094 16.812 41.433 1.00 0.00 H +ATOM 22477 H2 WAT 7136 13.934 17.863 42.125 1.00 0.00 H +TER +ATOM 22478 O WAT 7137 4.624 19.840 41.035 1.00 0.00 O +ATOM 22479 H1 WAT 7137 3.812 19.466 40.695 1.00 0.00 H +ATOM 22480 H2 WAT 7137 5.129 19.085 41.337 1.00 0.00 H +TER +ATOM 22481 O WAT 7138 9.127 16.505 42.274 1.00 0.00 O +ATOM 22482 H1 WAT 7138 9.730 17.077 42.748 1.00 0.00 H +ATOM 22483 H2 WAT 7138 8.386 17.068 42.051 1.00 0.00 H +TER +ATOM 22484 O WAT 7139 12.270 16.907 37.548 1.00 0.00 O +ATOM 22485 H1 WAT 7139 12.465 17.805 37.814 1.00 0.00 H +ATOM 22486 H2 WAT 7139 11.483 16.675 38.041 1.00 0.00 H +TER +ATOM 22487 O WAT 7140 2.649 17.990 39.640 1.00 0.00 O +ATOM 22488 H1 WAT 7140 2.020 17.289 39.807 1.00 0.00 H +ATOM 22489 H2 WAT 7140 2.110 18.751 39.423 1.00 0.00 H +TER +ATOM 22490 O WAT 7141 5.588 34.604 52.311 1.00 0.00 O +ATOM 22491 H1 WAT 7141 6.515 34.369 52.354 1.00 0.00 H +ATOM 22492 H2 WAT 7141 5.574 35.431 51.829 1.00 0.00 H +TER +ATOM 22493 O WAT 7142 13.823 34.147 39.308 1.00 0.00 O +ATOM 22494 H1 WAT 7142 13.998 33.461 38.664 1.00 0.00 H +ATOM 22495 H2 WAT 7142 13.125 34.671 38.916 1.00 0.00 H +TER +ATOM 22496 O WAT 7143 2.775 17.269 52.075 1.00 0.00 O +ATOM 22497 H1 WAT 7143 2.493 17.772 51.311 1.00 0.00 H +ATOM 22498 H2 WAT 7143 3.157 16.471 51.709 1.00 0.00 H +TER +ATOM 22499 O WAT 7144 9.376 16.684 52.653 1.00 0.00 O +ATOM 22500 H1 WAT 7144 9.263 17.004 53.548 1.00 0.00 H +ATOM 22501 H2 WAT 7144 10.193 17.085 52.357 1.00 0.00 H +TER +ATOM 22502 O WAT 7145 12.156 33.831 52.135 1.00 0.00 O +ATOM 22503 H1 WAT 7145 12.949 33.336 51.928 1.00 0.00 H +ATOM 22504 H2 WAT 7145 12.450 34.510 52.743 1.00 0.00 H +TER +ATOM 22505 O WAT 7146 8.282 24.703 23.017 1.00 0.00 O +ATOM 22506 H1 WAT 7146 8.202 23.789 22.746 1.00 0.00 H +ATOM 22507 H2 WAT 7146 7.869 25.200 22.311 1.00 0.00 H +TER +ATOM 22508 O WAT 7147 6.414 26.481 24.897 1.00 0.00 O +ATOM 22509 H1 WAT 7147 5.638 26.001 25.187 1.00 0.00 H +ATOM 22510 H2 WAT 7147 7.065 25.802 24.723 1.00 0.00 H +TER +ATOM 22511 O WAT 7148 10.435 30.887 23.677 1.00 0.00 O +ATOM 22512 H1 WAT 7148 9.973 30.116 24.006 1.00 0.00 H +ATOM 22513 H2 WAT 7148 11.247 30.914 24.183 1.00 0.00 H +TER +ATOM 22514 O WAT 7149 6.661 33.173 23.298 1.00 0.00 O +ATOM 22515 H1 WAT 7149 6.042 33.629 22.727 1.00 0.00 H +ATOM 22516 H2 WAT 7149 7.516 33.328 22.897 1.00 0.00 H +TER +ATOM 22517 O WAT 7150 5.855 29.157 24.905 1.00 0.00 O +ATOM 22518 H1 WAT 7150 5.786 28.216 24.743 1.00 0.00 H +ATOM 22519 H2 WAT 7150 6.617 29.247 25.477 1.00 0.00 H +TER +ATOM 22520 O WAT 7151 6.885 21.964 25.131 1.00 0.00 O +ATOM 22521 H1 WAT 7151 7.262 21.091 25.019 1.00 0.00 H +ATOM 22522 H2 WAT 7151 6.787 22.300 24.240 1.00 0.00 H +TER +ATOM 22523 O WAT 7152 10.668 19.459 22.064 1.00 0.00 O +ATOM 22524 H1 WAT 7152 11.489 18.969 22.107 1.00 0.00 H +ATOM 22525 H2 WAT 7152 10.701 20.049 22.817 1.00 0.00 H +TER +ATOM 22526 O WAT 7153 2.857 23.305 24.926 1.00 0.00 O +ATOM 22527 H1 WAT 7153 3.365 23.803 25.566 1.00 0.00 H +ATOM 22528 H2 WAT 7153 3.388 22.529 24.750 1.00 0.00 H +TER +ATOM 22529 O WAT 7154 14.958 21.476 28.629 1.00 0.00 O +ATOM 22530 H1 WAT 7154 14.253 21.864 28.110 1.00 0.00 H +ATOM 22531 H2 WAT 7154 15.224 22.171 29.231 1.00 0.00 H +TER +ATOM 22532 O WAT 7155 7.527 28.057 20.691 1.00 0.00 O +ATOM 22533 H1 WAT 7155 6.909 28.522 20.127 1.00 0.00 H +ATOM 22534 H2 WAT 7155 8.040 28.750 21.108 1.00 0.00 H +TER +ATOM 22535 O WAT 7156 2.391 27.585 27.369 1.00 0.00 O +ATOM 22536 H1 WAT 7156 2.058 28.211 28.011 1.00 0.00 H +ATOM 22537 H2 WAT 7156 2.567 28.111 26.590 1.00 0.00 H +TER +ATOM 22538 O WAT 7157 10.904 21.399 24.837 1.00 0.00 O +ATOM 22539 H1 WAT 7157 10.200 21.688 25.417 1.00 0.00 H +ATOM 22540 H2 WAT 7157 11.265 22.209 24.477 1.00 0.00 H +TER +ATOM 22541 O WAT 7158 12.520 31.017 27.100 1.00 0.00 O +ATOM 22542 H1 WAT 7158 11.837 31.686 27.091 1.00 0.00 H +ATOM 22543 H2 WAT 7158 13.060 31.215 26.334 1.00 0.00 H +TER +ATOM 22544 O WAT 7159 13.973 20.845 25.228 1.00 0.00 O +ATOM 22545 H1 WAT 7159 13.025 20.878 25.359 1.00 0.00 H +ATOM 22546 H2 WAT 7159 14.298 21.658 25.613 1.00 0.00 H +TER +ATOM 22547 O WAT 7160 4.505 17.144 23.524 1.00 0.00 O +ATOM 22548 H1 WAT 7160 4.812 16.589 22.807 1.00 0.00 H +ATOM 22549 H2 WAT 7160 3.575 17.279 23.341 1.00 0.00 H +TER +ATOM 22550 O WAT 7161 10.056 32.861 25.814 1.00 0.00 O +ATOM 22551 H1 WAT 7161 10.069 32.457 24.946 1.00 0.00 H +ATOM 22552 H2 WAT 7161 9.504 33.636 25.710 1.00 0.00 H +TER +ATOM 22553 O WAT 7162 11.351 29.583 20.903 1.00 0.00 O +ATOM 22554 H1 WAT 7162 11.240 28.640 21.028 1.00 0.00 H +ATOM 22555 H2 WAT 7162 11.347 29.944 21.790 1.00 0.00 H +TER +ATOM 22556 O WAT 7163 9.455 27.764 27.143 1.00 0.00 O +ATOM 22557 H1 WAT 7163 9.872 27.550 26.308 1.00 0.00 H +ATOM 22558 H2 WAT 7163 10.179 28.021 27.713 1.00 0.00 H +TER +ATOM 22559 O WAT 7164 6.893 25.209 20.260 1.00 0.00 O +ATOM 22560 H1 WAT 7164 5.966 25.143 20.488 1.00 0.00 H +ATOM 22561 H2 WAT 7164 7.045 26.147 20.145 1.00 0.00 H +TER +ATOM 22562 O WAT 7165 6.880 21.481 17.256 1.00 0.00 O +ATOM 22563 H1 WAT 7165 5.940 21.642 17.341 1.00 0.00 H +ATOM 22564 H2 WAT 7165 7.198 22.199 16.710 1.00 0.00 H +TER +ATOM 22565 O WAT 7166 13.401 26.163 27.234 1.00 0.00 O +ATOM 22566 H1 WAT 7166 12.573 26.232 26.759 1.00 0.00 H +ATOM 22567 H2 WAT 7166 13.996 26.748 26.766 1.00 0.00 H +TER +ATOM 22568 O WAT 7167 10.922 26.771 20.763 1.00 0.00 O +ATOM 22569 H1 WAT 7167 10.304 26.433 20.116 1.00 0.00 H +ATOM 22570 H2 WAT 7167 10.905 26.127 21.471 1.00 0.00 H +TER +ATOM 22571 O WAT 7168 10.365 22.950 28.180 1.00 0.00 O +ATOM 22572 H1 WAT 7168 9.952 23.775 28.434 1.00 0.00 H +ATOM 22573 H2 WAT 7168 9.633 22.364 27.987 1.00 0.00 H +TER +ATOM 22574 O WAT 7169 2.498 25.736 23.041 1.00 0.00 O +ATOM 22575 H1 WAT 7169 2.094 25.023 22.546 1.00 0.00 H +ATOM 22576 H2 WAT 7169 2.585 25.391 23.930 1.00 0.00 H +TER +ATOM 22577 O WAT 7170 2.967 29.422 25.205 1.00 0.00 O +ATOM 22578 H1 WAT 7170 2.669 28.817 24.526 1.00 0.00 H +ATOM 22579 H2 WAT 7170 3.917 29.460 25.094 1.00 0.00 H +TER +ATOM 22580 O WAT 7171 11.055 32.996 28.868 1.00 0.00 O +ATOM 22581 H1 WAT 7171 10.578 33.803 28.675 1.00 0.00 H +ATOM 22582 H2 WAT 7171 10.371 32.343 29.020 1.00 0.00 H +TER +ATOM 22583 O WAT 7172 9.099 26.010 17.770 1.00 0.00 O +ATOM 22584 H1 WAT 7172 9.538 25.172 17.624 1.00 0.00 H +ATOM 22585 H2 WAT 7172 9.812 26.643 17.857 1.00 0.00 H +TER +ATOM 22586 O WAT 7173 7.208 30.949 21.738 1.00 0.00 O +ATOM 22587 H1 WAT 7173 7.648 31.692 21.324 1.00 0.00 H +ATOM 22588 H2 WAT 7173 7.147 31.192 22.662 1.00 0.00 H +TER +ATOM 22589 O WAT 7174 2.684 31.974 32.640 1.00 0.00 O +ATOM 22590 H1 WAT 7174 2.655 32.378 31.773 1.00 0.00 H +ATOM 22591 H2 WAT 7174 2.520 31.045 32.478 1.00 0.00 H +TER +ATOM 22592 O WAT 7175 12.681 17.264 16.084 1.00 0.00 O +ATOM 22593 H1 WAT 7175 12.368 17.357 16.984 1.00 0.00 H +ATOM 22594 H2 WAT 7175 13.442 17.842 16.034 1.00 0.00 H +TER +ATOM 22595 O WAT 7176 7.900 33.651 29.666 1.00 0.00 O +ATOM 22596 H1 WAT 7176 8.414 33.562 30.469 1.00 0.00 H +ATOM 22597 H2 WAT 7176 7.057 33.997 29.959 1.00 0.00 H +TER +ATOM 22598 O WAT 7177 9.875 33.936 19.095 1.00 0.00 O +ATOM 22599 H1 WAT 7177 9.716 33.647 19.993 1.00 0.00 H +ATOM 22600 H2 WAT 7177 9.710 33.160 18.559 1.00 0.00 H +TER +ATOM 22601 O WAT 7178 9.578 31.445 17.655 1.00 0.00 O +ATOM 22602 H1 WAT 7178 8.885 31.443 16.995 1.00 0.00 H +ATOM 22603 H2 WAT 7178 10.320 31.021 17.224 1.00 0.00 H +TER +ATOM 22604 O WAT 7179 9.143 33.071 21.729 1.00 0.00 O +ATOM 22605 H1 WAT 7179 9.599 32.290 22.043 1.00 0.00 H +ATOM 22606 H2 WAT 7179 9.482 33.782 22.274 1.00 0.00 H +TER +ATOM 22607 O WAT 7180 13.891 22.001 32.062 1.00 0.00 O +ATOM 22608 H1 WAT 7180 13.275 22.509 31.533 1.00 0.00 H +ATOM 22609 H2 WAT 7180 13.570 21.101 32.004 1.00 0.00 H +TER +ATOM 22610 O WAT 7181 5.952 20.840 29.528 1.00 0.00 O +ATOM 22611 H1 WAT 7181 5.490 21.049 30.340 1.00 0.00 H +ATOM 22612 H2 WAT 7181 5.550 20.026 29.225 1.00 0.00 H +TER +ATOM 22613 O WAT 7182 10.953 22.061 30.658 1.00 0.00 O +ATOM 22614 H1 WAT 7182 10.102 21.762 30.979 1.00 0.00 H +ATOM 22615 H2 WAT 7182 10.793 22.306 29.746 1.00 0.00 H +TER +ATOM 22616 O WAT 7183 8.048 23.562 32.758 1.00 0.00 O +ATOM 22617 H1 WAT 7183 8.373 22.728 32.418 1.00 0.00 H +ATOM 22618 H2 WAT 7183 8.836 24.084 32.905 1.00 0.00 H +TER +ATOM 22619 O WAT 7184 4.781 17.595 18.805 1.00 0.00 O +ATOM 22620 H1 WAT 7184 4.156 17.591 19.530 1.00 0.00 H +ATOM 22621 H2 WAT 7184 4.694 16.728 18.409 1.00 0.00 H +TER +ATOM 22622 O WAT 7185 3.703 18.518 25.783 1.00 0.00 O +ATOM 22623 H1 WAT 7185 4.000 19.425 25.703 1.00 0.00 H +ATOM 22624 H2 WAT 7185 4.251 18.030 25.169 1.00 0.00 H +TER +ATOM 22625 O WAT 7186 8.686 23.103 20.252 1.00 0.00 O +ATOM 22626 H1 WAT 7186 8.087 23.827 20.068 1.00 0.00 H +ATOM 22627 H2 WAT 7186 9.234 23.041 19.469 1.00 0.00 H +TER +ATOM 22628 O WAT 7187 3.897 23.996 32.319 1.00 0.00 O +ATOM 22629 H1 WAT 7187 3.801 23.055 32.169 1.00 0.00 H +ATOM 22630 H2 WAT 7187 4.740 24.217 31.923 1.00 0.00 H +TER +ATOM 22631 O WAT 7188 7.293 21.740 22.282 1.00 0.00 O +ATOM 22632 H1 WAT 7188 7.686 22.057 21.469 1.00 0.00 H +ATOM 22633 H2 WAT 7188 7.655 20.861 22.396 1.00 0.00 H +TER +ATOM 22634 O WAT 7189 5.602 20.490 33.542 1.00 0.00 O +ATOM 22635 H1 WAT 7189 4.912 20.298 34.176 1.00 0.00 H +ATOM 22636 H2 WAT 7189 6.345 20.774 34.074 1.00 0.00 H +TER +ATOM 22637 O WAT 7190 7.878 24.330 26.377 1.00 0.00 O +ATOM 22638 H1 WAT 7190 7.147 24.839 26.726 1.00 0.00 H +ATOM 22639 H2 WAT 7190 7.481 23.513 26.076 1.00 0.00 H +TER +ATOM 22640 O WAT 7191 4.316 21.006 24.782 1.00 0.00 O +ATOM 22641 H1 WAT 7191 4.320 20.565 23.933 1.00 0.00 H +ATOM 22642 H2 WAT 7191 5.211 21.327 24.890 1.00 0.00 H +TER +ATOM 22643 O WAT 7192 4.378 22.007 17.773 1.00 0.00 O +ATOM 22644 H1 WAT 7192 4.499 21.965 18.722 1.00 0.00 H +ATOM 22645 H2 WAT 7192 3.993 22.869 17.618 1.00 0.00 H +TER +ATOM 22646 O WAT 7193 8.341 19.784 25.789 1.00 0.00 O +ATOM 22647 H1 WAT 7193 8.358 20.234 26.634 1.00 0.00 H +ATOM 22648 H2 WAT 7193 8.093 18.884 26.003 1.00 0.00 H +TER +ATOM 22649 O WAT 7194 3.390 24.317 17.171 1.00 0.00 O +ATOM 22650 H1 WAT 7194 2.822 23.869 16.545 1.00 0.00 H +ATOM 22651 H2 WAT 7194 4.099 24.676 16.638 1.00 0.00 H +TER +ATOM 22652 O WAT 7195 11.768 17.197 31.628 1.00 0.00 O +ATOM 22653 H1 WAT 7195 12.093 16.466 32.154 1.00 0.00 H +ATOM 22654 H2 WAT 7195 11.804 16.878 30.726 1.00 0.00 H +TER +ATOM 22655 O WAT 7196 4.617 25.066 26.529 1.00 0.00 O +ATOM 22656 H1 WAT 7196 4.984 24.592 27.275 1.00 0.00 H +ATOM 22657 H2 WAT 7196 4.427 25.940 26.870 1.00 0.00 H +TER +ATOM 22658 O WAT 7197 2.407 24.107 28.847 1.00 0.00 O +ATOM 22659 H1 WAT 7197 2.103 24.986 29.072 1.00 0.00 H +ATOM 22660 H2 WAT 7197 3.362 24.167 28.883 1.00 0.00 H +TER +ATOM 22661 O WAT 7198 11.694 27.309 25.237 1.00 0.00 O +ATOM 22662 H1 WAT 7198 12.414 27.805 24.846 1.00 0.00 H +ATOM 22663 H2 WAT 7198 11.492 26.631 24.592 1.00 0.00 H +TER +ATOM 22664 O WAT 7199 7.155 18.703 19.380 1.00 0.00 O +ATOM 22665 H1 WAT 7199 6.341 18.204 19.304 1.00 0.00 H +ATOM 22666 H2 WAT 7199 6.961 19.543 18.963 1.00 0.00 H +TER +ATOM 22667 O WAT 7200 7.076 27.380 31.124 1.00 0.00 O +ATOM 22668 H1 WAT 7200 7.009 26.460 30.869 1.00 0.00 H +ATOM 22669 H2 WAT 7200 6.446 27.478 31.838 1.00 0.00 H +TER +ATOM 22670 O WAT 7201 9.870 23.075 17.676 1.00 0.00 O +ATOM 22671 H1 WAT 7201 10.758 23.387 17.501 1.00 0.00 H +ATOM 22672 H2 WAT 7201 9.840 22.202 17.284 1.00 0.00 H +TER +ATOM 22673 O WAT 7202 5.866 29.247 18.355 1.00 0.00 O +ATOM 22674 H1 WAT 7202 6.207 29.992 17.859 1.00 0.00 H +ATOM 22675 H2 WAT 7202 5.037 29.561 18.717 1.00 0.00 H +TER +ATOM 22676 O WAT 7203 7.007 30.202 30.874 1.00 0.00 O +ATOM 22677 H1 WAT 7203 7.022 29.270 30.656 1.00 0.00 H +ATOM 22678 H2 WAT 7203 6.300 30.288 31.513 1.00 0.00 H +TER +ATOM 22679 O WAT 7204 12.141 24.386 17.144 1.00 0.00 O +ATOM 22680 H1 WAT 7204 12.057 24.818 16.293 1.00 0.00 H +ATOM 22681 H2 WAT 7204 12.861 24.846 17.576 1.00 0.00 H +TER +ATOM 22682 O WAT 7205 13.219 26.843 30.221 1.00 0.00 O +ATOM 22683 H1 WAT 7205 12.493 27.436 30.024 1.00 0.00 H +ATOM 22684 H2 WAT 7205 13.746 26.835 29.422 1.00 0.00 H +TER +ATOM 22685 O WAT 7206 13.170 31.240 19.872 1.00 0.00 O +ATOM 22686 H1 WAT 7206 12.527 30.586 20.146 1.00 0.00 H +ATOM 22687 H2 WAT 7206 12.783 31.646 19.096 1.00 0.00 H +TER +ATOM 22688 O WAT 7207 8.748 28.569 23.719 1.00 0.00 O +ATOM 22689 H1 WAT 7207 9.101 27.972 23.059 1.00 0.00 H +ATOM 22690 H2 WAT 7207 7.865 28.243 23.890 1.00 0.00 H +TER +ATOM 22691 O WAT 7208 4.835 29.329 21.126 1.00 0.00 O +ATOM 22692 H1 WAT 7208 5.522 29.876 21.507 1.00 0.00 H +ATOM 22693 H2 WAT 7208 4.048 29.873 21.161 1.00 0.00 H +TER +ATOM 22694 O WAT 7209 4.138 26.333 20.739 1.00 0.00 O +ATOM 22695 H1 WAT 7209 4.594 27.144 20.965 1.00 0.00 H +ATOM 22696 H2 WAT 7209 3.786 26.016 21.571 1.00 0.00 H +TER +ATOM 22697 O WAT 7210 6.441 31.844 27.968 1.00 0.00 O +ATOM 22698 H1 WAT 7210 7.085 32.050 28.645 1.00 0.00 H +ATOM 22699 H2 WAT 7210 6.804 31.083 27.515 1.00 0.00 H +TER +ATOM 22700 O WAT 7211 7.714 29.847 26.686 1.00 0.00 O +ATOM 22701 H1 WAT 7211 8.356 29.147 26.799 1.00 0.00 H +ATOM 22702 H2 WAT 7211 8.239 30.627 26.505 1.00 0.00 H +TER +ATOM 22703 O WAT 7212 11.560 30.132 16.410 1.00 0.00 O +ATOM 22704 H1 WAT 7212 11.333 29.415 17.002 1.00 0.00 H +ATOM 22705 H2 WAT 7212 11.169 29.883 15.572 1.00 0.00 H +TER +ATOM 22706 O WAT 7213 9.488 30.647 29.889 1.00 0.00 O +ATOM 22707 H1 WAT 7213 9.823 31.233 30.567 1.00 0.00 H +ATOM 22708 H2 WAT 7213 8.568 30.516 30.119 1.00 0.00 H +TER +ATOM 22709 O WAT 7214 11.141 28.049 18.071 1.00 0.00 O +ATOM 22710 H1 WAT 7214 10.853 28.511 18.859 1.00 0.00 H +ATOM 22711 H2 WAT 7214 11.936 27.589 18.339 1.00 0.00 H +TER +ATOM 22712 O WAT 7215 5.317 30.696 33.058 1.00 0.00 O +ATOM 22713 H1 WAT 7215 4.996 29.977 33.603 1.00 0.00 H +ATOM 22714 H2 WAT 7215 4.642 31.371 33.132 1.00 0.00 H +TER +ATOM 22715 O WAT 7216 3.358 31.542 18.001 1.00 0.00 O +ATOM 22716 H1 WAT 7216 3.349 32.275 17.386 1.00 0.00 H +ATOM 22717 H2 WAT 7216 2.438 31.295 18.094 1.00 0.00 H +TER +ATOM 22718 O WAT 7217 8.532 20.929 28.422 1.00 0.00 O +ATOM 22719 H1 WAT 7217 8.900 20.108 28.750 1.00 0.00 H +ATOM 22720 H2 WAT 7217 7.672 20.989 28.837 1.00 0.00 H +TER +ATOM 22721 O WAT 7218 11.898 19.884 19.231 1.00 0.00 O +ATOM 22722 H1 WAT 7218 11.269 19.989 18.516 1.00 0.00 H +ATOM 22723 H2 WAT 7218 11.403 20.104 20.020 1.00 0.00 H +TER +ATOM 22724 O WAT 7219 6.344 31.605 16.664 1.00 0.00 O +ATOM 22725 H1 WAT 7219 6.445 31.401 15.734 1.00 0.00 H +ATOM 22726 H2 WAT 7219 5.444 31.351 16.869 1.00 0.00 H +TER +ATOM 22727 O WAT 7220 3.867 22.163 20.646 1.00 0.00 O +ATOM 22728 H1 WAT 7220 3.158 22.631 21.088 1.00 0.00 H +ATOM 22729 H2 WAT 7220 4.151 21.505 21.281 1.00 0.00 H +TER +ATOM 22730 O WAT 7221 5.492 23.582 28.646 1.00 0.00 O +ATOM 22731 H1 WAT 7221 5.991 24.057 29.311 1.00 0.00 H +ATOM 22732 H2 WAT 7221 5.634 22.659 28.853 1.00 0.00 H +TER +ATOM 22733 O WAT 7222 7.898 18.888 22.086 1.00 0.00 O +ATOM 22734 H1 WAT 7222 7.775 18.906 21.137 1.00 0.00 H +ATOM 22735 H2 WAT 7222 8.847 18.936 22.206 1.00 0.00 H +TER +ATOM 22736 O WAT 7223 4.986 34.123 21.359 1.00 0.00 O +ATOM 22737 H1 WAT 7223 5.240 34.086 20.437 1.00 0.00 H +ATOM 22738 H2 WAT 7223 4.037 33.997 21.352 1.00 0.00 H +TER +ATOM 22739 O WAT 7224 12.699 19.799 29.488 1.00 0.00 O +ATOM 22740 H1 WAT 7224 12.196 20.540 29.828 1.00 0.00 H +ATOM 22741 H2 WAT 7224 13.515 20.188 29.172 1.00 0.00 H +TER +ATOM 22742 O WAT 7225 10.991 25.043 22.935 1.00 0.00 O +ATOM 22743 H1 WAT 7225 10.050 25.058 23.109 1.00 0.00 H +ATOM 22744 H2 WAT 7225 11.305 24.256 23.381 1.00 0.00 H +TER +ATOM 22745 O WAT 7226 12.994 32.213 24.610 1.00 0.00 O +ATOM 22746 H1 WAT 7226 13.118 33.037 25.082 1.00 0.00 H +ATOM 22747 H2 WAT 7226 13.860 32.003 24.262 1.00 0.00 H +TER +ATOM 22748 O WAT 7227 3.576 33.480 16.104 1.00 0.00 O +ATOM 22749 H1 WAT 7227 4.368 33.768 15.652 1.00 0.00 H +ATOM 22750 H2 WAT 7227 3.056 33.049 15.426 1.00 0.00 H +TER +ATOM 22751 O WAT 7228 8.308 29.599 33.418 1.00 0.00 O +ATOM 22752 H1 WAT 7228 7.701 29.622 32.677 1.00 0.00 H +ATOM 22753 H2 WAT 7228 8.003 28.867 33.955 1.00 0.00 H +TER +ATOM 22754 O WAT 7229 9.738 33.327 32.029 1.00 0.00 O +ATOM 22755 H1 WAT 7229 10.690 33.243 31.979 1.00 0.00 H +ATOM 22756 H2 WAT 7229 9.591 33.991 32.702 1.00 0.00 H +TER +ATOM 22757 O WAT 7230 12.629 32.707 17.528 1.00 0.00 O +ATOM 22758 H1 WAT 7230 12.343 32.293 16.713 1.00 0.00 H +ATOM 22759 H2 WAT 7230 12.431 33.635 17.408 1.00 0.00 H +TER +ATOM 22760 O WAT 7231 4.093 28.700 15.969 1.00 0.00 O +ATOM 22761 H1 WAT 7231 3.988 28.085 16.695 1.00 0.00 H +ATOM 22762 H2 WAT 7231 3.926 28.177 15.185 1.00 0.00 H +TER +ATOM 22763 O WAT 7232 4.245 27.386 31.947 1.00 0.00 O +ATOM 22764 H1 WAT 7232 3.479 27.954 31.863 1.00 0.00 H +ATOM 22765 H2 WAT 7232 4.426 27.093 31.054 1.00 0.00 H +TER +ATOM 22766 O WAT 7233 7.334 27.762 16.573 1.00 0.00 O +ATOM 22767 H1 WAT 7233 6.785 28.209 17.217 1.00 0.00 H +ATOM 22768 H2 WAT 7233 7.956 27.257 17.096 1.00 0.00 H +TER +ATOM 22769 O WAT 7234 11.387 29.116 32.505 1.00 0.00 O +ATOM 22770 H1 WAT 7234 12.128 29.454 32.002 1.00 0.00 H +ATOM 22771 H2 WAT 7234 10.624 29.285 31.952 1.00 0.00 H +TER +ATOM 22772 O WAT 7235 3.001 26.721 18.469 1.00 0.00 O +ATOM 22773 H1 WAT 7235 3.423 26.555 19.312 1.00 0.00 H +ATOM 22774 H2 WAT 7235 3.126 25.911 17.975 1.00 0.00 H +TER +ATOM 22775 O WAT 7236 5.514 25.745 15.717 1.00 0.00 O +ATOM 22776 H1 WAT 7236 6.034 25.030 15.351 1.00 0.00 H +ATOM 22777 H2 WAT 7236 6.161 26.383 16.017 1.00 0.00 H +TER +ATOM 22778 O WAT 7237 10.062 27.168 31.040 1.00 0.00 O +ATOM 22779 H1 WAT 7237 10.476 27.322 31.890 1.00 0.00 H +ATOM 22780 H2 WAT 7237 9.127 27.293 31.203 1.00 0.00 H +TER +ATOM 22781 O WAT 7238 10.534 24.507 33.044 1.00 0.00 O +ATOM 22782 H1 WAT 7238 11.116 23.752 32.956 1.00 0.00 H +ATOM 22783 H2 WAT 7238 10.710 25.038 32.268 1.00 0.00 H +TER +ATOM 22784 O WAT 7239 4.417 18.224 28.389 1.00 0.00 O +ATOM 22785 H1 WAT 7239 3.969 18.247 27.543 1.00 0.00 H +ATOM 22786 H2 WAT 7239 3.784 17.826 28.986 1.00 0.00 H +TER +ATOM 22787 O WAT 7240 4.823 27.120 29.010 1.00 0.00 O +ATOM 22788 H1 WAT 7240 5.242 27.963 28.838 1.00 0.00 H +ATOM 22789 H2 WAT 7240 3.904 27.257 28.781 1.00 0.00 H +TER +ATOM 22790 O WAT 7241 7.160 24.851 30.394 1.00 0.00 O +ATOM 22791 H1 WAT 7241 7.279 24.255 31.133 1.00 0.00 H +ATOM 22792 H2 WAT 7241 8.019 24.888 29.974 1.00 0.00 H +TER +ATOM 22793 O WAT 7242 9.498 25.405 28.970 1.00 0.00 O +ATOM 22794 H1 WAT 7242 8.972 25.929 28.367 1.00 0.00 H +ATOM 22795 H2 WAT 7242 9.842 26.038 29.601 1.00 0.00 H +TER +ATOM 22796 O WAT 7243 2.674 33.425 30.126 1.00 0.00 O +ATOM 22797 H1 WAT 7243 2.136 34.150 29.807 1.00 0.00 H +ATOM 22798 H2 WAT 7243 2.927 32.948 29.336 1.00 0.00 H +TER +ATOM 22799 O WAT 7244 3.926 21.393 31.651 1.00 0.00 O +ATOM 22800 H1 WAT 7244 4.516 21.085 32.339 1.00 0.00 H +ATOM 22801 H2 WAT 7244 3.108 20.921 31.807 1.00 0.00 H +TER +ATOM 22802 O WAT 7245 8.746 21.010 31.885 1.00 0.00 O +ATOM 22803 H1 WAT 7245 8.057 20.348 31.820 1.00 0.00 H +ATOM 22804 H2 WAT 7245 9.466 20.564 32.330 1.00 0.00 H +TER +ATOM 22805 O WAT 7246 9.376 17.605 17.944 1.00 0.00 O +ATOM 22806 H1 WAT 7246 9.656 16.762 18.300 1.00 0.00 H +ATOM 22807 H2 WAT 7246 8.602 17.838 18.458 1.00 0.00 H +TER +ATOM 22808 O WAT 7247 5.530 34.660 30.385 1.00 0.00 O +ATOM 22809 H1 WAT 7247 5.456 35.564 30.692 1.00 0.00 H +ATOM 22810 H2 WAT 7247 4.628 34.341 30.357 1.00 0.00 H +TER +ATOM 22811 O WAT 7248 3.914 18.838 16.388 1.00 0.00 O +ATOM 22812 H1 WAT 7248 3.566 18.160 15.809 1.00 0.00 H +ATOM 22813 H2 WAT 7248 4.115 18.377 17.203 1.00 0.00 H +TER +ATOM 22814 O WAT 7249 6.079 33.826 18.007 1.00 0.00 O +ATOM 22815 H1 WAT 7249 6.974 34.164 18.029 1.00 0.00 H +ATOM 22816 H2 WAT 7249 6.110 33.104 17.380 1.00 0.00 H +TER +ATOM 22817 O WAT 7250 13.058 32.356 30.714 1.00 0.00 O +ATOM 22818 H1 WAT 7250 12.458 32.416 29.970 1.00 0.00 H +ATOM 22819 H2 WAT 7250 13.188 31.417 30.843 1.00 0.00 H +TER +ATOM 22820 O WAT 7251 14.298 30.098 16.051 1.00 0.00 O +ATOM 22821 H1 WAT 7251 13.468 30.166 16.521 1.00 0.00 H +ATOM 22822 H2 WAT 7251 14.475 30.989 15.747 1.00 0.00 H +TER +ATOM 22823 O WAT 7252 13.754 26.843 18.554 1.00 0.00 O +ATOM 22824 H1 WAT 7252 14.516 27.413 18.660 1.00 0.00 H +ATOM 22825 H2 WAT 7252 13.769 26.276 19.325 1.00 0.00 H +TER +ATOM 22826 O WAT 7253 11.743 29.082 28.811 1.00 0.00 O +ATOM 22827 H1 WAT 7253 10.929 29.511 29.074 1.00 0.00 H +ATOM 22828 H2 WAT 7253 12.151 29.693 28.198 1.00 0.00 H +TER +ATOM 22829 O WAT 7254 13.806 27.136 15.711 1.00 0.00 O +ATOM 22830 H1 WAT 7254 14.081 28.044 15.583 1.00 0.00 H +ATOM 22831 H2 WAT 7254 13.617 27.073 16.648 1.00 0.00 H +TER +ATOM 22832 O WAT 7255 10.203 20.161 17.007 1.00 0.00 O +ATOM 22833 H1 WAT 7255 10.622 19.974 16.166 1.00 0.00 H +ATOM 22834 H2 WAT 7255 9.897 19.309 17.317 1.00 0.00 H +TER +ATOM 22835 O WAT 7256 13.702 25.073 20.704 1.00 0.00 O +ATOM 22836 H1 WAT 7256 13.327 24.306 20.272 1.00 0.00 H +ATOM 22837 H2 WAT 7256 12.973 25.455 21.192 1.00 0.00 H +TER +ATOM 22838 O WAT 7257 13.092 24.220 30.338 1.00 0.00 O +ATOM 22839 H1 WAT 7257 12.861 23.992 29.438 1.00 0.00 H +ATOM 22840 H2 WAT 7257 13.353 25.140 30.293 1.00 0.00 H +TER +ATOM 22841 O WAT 7258 11.531 19.446 33.116 1.00 0.00 O +ATOM 22842 H1 WAT 7258 12.408 19.454 33.500 1.00 0.00 H +ATOM 22843 H2 WAT 7258 11.543 18.709 32.506 1.00 0.00 H +TER +ATOM 22844 O WAT 7259 12.977 23.299 24.005 1.00 0.00 O +ATOM 22845 H1 WAT 7259 13.501 22.805 23.374 1.00 0.00 H +ATOM 22846 H2 WAT 7259 13.563 23.434 24.750 1.00 0.00 H +TER +ATOM 22847 O WAT 7260 13.156 23.383 27.527 1.00 0.00 O +ATOM 22848 H1 WAT 7260 12.207 23.349 27.642 1.00 0.00 H +ATOM 22849 H2 WAT 7260 13.338 24.293 27.292 1.00 0.00 H +TER +ATOM 22850 O WAT 7261 12.467 22.556 19.944 1.00 0.00 O +ATOM 22851 H1 WAT 7261 12.963 22.323 20.729 1.00 0.00 H +ATOM 22852 H2 WAT 7261 12.269 21.717 19.528 1.00 0.00 H +TER +ATOM 22853 O WAT 7262 13.896 21.192 22.478 1.00 0.00 O +ATOM 22854 H1 WAT 7262 13.786 21.038 23.416 1.00 0.00 H +ATOM 22855 H2 WAT 7262 14.657 20.664 22.236 1.00 0.00 H +TER +ATOM 22856 O WAT 7263 12.243 17.132 28.936 1.00 0.00 O +ATOM 22857 H1 WAT 7263 12.880 17.745 29.302 1.00 0.00 H +ATOM 22858 H2 WAT 7263 12.390 17.168 27.991 1.00 0.00 H +TER +ATOM 22859 O WAT 7264 14.785 19.023 15.719 1.00 0.00 O +ATOM 22860 H1 WAT 7264 15.710 18.891 15.511 1.00 0.00 H +ATOM 22861 H2 WAT 7264 14.763 19.102 16.672 1.00 0.00 H +TER +ATOM 22862 O WAT 7265 14.859 19.794 18.344 1.00 0.00 O +ATOM 22863 H1 WAT 7265 14.064 19.729 18.874 1.00 0.00 H +ATOM 22864 H2 WAT 7265 15.063 20.729 18.333 1.00 0.00 H +TER +ATOM 22865 O WAT 7266 11.801 33.833 22.338 1.00 0.00 O +ATOM 22866 H1 WAT 7266 12.397 33.512 21.662 1.00 0.00 H +ATOM 22867 H2 WAT 7266 12.059 33.361 23.130 1.00 0.00 H +TER +ATOM 22868 O WAT 7267 3.408 31.821 28.088 1.00 0.00 O +ATOM 22869 H1 WAT 7267 3.167 32.089 27.201 1.00 0.00 H +ATOM 22870 H2 WAT 7267 4.348 31.992 28.143 1.00 0.00 H +TER +ATOM 22871 O WAT 7268 5.613 18.284 31.844 1.00 0.00 O +ATOM 22872 H1 WAT 7268 5.552 18.877 32.593 1.00 0.00 H +ATOM 22873 H2 WAT 7268 6.553 18.177 31.699 1.00 0.00 H +TER +ATOM 22874 O WAT 7269 8.251 17.941 31.483 1.00 0.00 O +ATOM 22875 H1 WAT 7269 8.865 18.259 30.821 1.00 0.00 H +ATOM 22876 H2 WAT 7269 8.796 17.456 32.103 1.00 0.00 H +TER +ATOM 22877 O WAT 7270 14.668 33.841 28.889 1.00 0.00 O +ATOM 22878 H1 WAT 7270 14.174 34.237 28.172 1.00 0.00 H +ATOM 22879 H2 WAT 7270 14.059 33.216 29.283 1.00 0.00 H +TER +ATOM 22880 O WAT 7271 8.991 16.505 27.810 1.00 0.00 O +ATOM 22881 H1 WAT 7271 8.117 16.838 27.607 1.00 0.00 H +ATOM 22882 H2 WAT 7271 8.883 16.032 28.635 1.00 0.00 H +TER +ATOM 22883 O WAT 7272 9.899 18.712 29.194 1.00 0.00 O +ATOM 22884 H1 WAT 7272 9.570 17.897 28.814 1.00 0.00 H +ATOM 22885 H2 WAT 7272 10.847 18.669 29.071 1.00 0.00 H +TER +ATOM 22886 O WAT 7273 12.352 34.483 26.168 1.00 0.00 O +ATOM 22887 H1 WAT 7273 11.892 35.235 25.794 1.00 0.00 H +ATOM 22888 H2 WAT 7273 11.723 33.764 26.109 1.00 0.00 H +TER +ATOM 22889 O WAT 7274 2.782 32.792 25.343 1.00 0.00 O +ATOM 22890 H1 WAT 7274 3.298 32.180 24.818 1.00 0.00 H +ATOM 22891 H2 WAT 7274 3.431 33.295 25.834 1.00 0.00 H +TER +ATOM 22892 O WAT 7275 5.521 33.683 26.170 1.00 0.00 O +ATOM 22893 H1 WAT 7275 5.809 33.428 25.293 1.00 0.00 H +ATOM 22894 H2 WAT 7275 6.034 33.130 26.760 1.00 0.00 H +TER +ATOM 22895 O WAT 7276 6.739 17.422 26.749 1.00 0.00 O +ATOM 22896 H1 WAT 7276 5.956 17.896 27.029 1.00 0.00 H +ATOM 22897 H2 WAT 7276 6.445 16.517 26.641 1.00 0.00 H +TER +ATOM 22898 O WAT 7277 11.291 18.124 24.794 1.00 0.00 O +ATOM 22899 H1 WAT 7277 11.732 18.068 23.946 1.00 0.00 H +ATOM 22900 H2 WAT 7277 11.022 19.040 24.865 1.00 0.00 H +TER +ATOM 22901 O WAT 7278 13.155 17.755 22.805 1.00 0.00 O +ATOM 22902 H1 WAT 7278 13.094 16.812 22.658 1.00 0.00 H +ATOM 22903 H2 WAT 7278 13.934 17.863 23.350 1.00 0.00 H +TER +ATOM 22904 O WAT 7279 4.624 19.840 22.261 1.00 0.00 O +ATOM 22905 H1 WAT 7279 3.812 19.466 21.921 1.00 0.00 H +ATOM 22906 H2 WAT 7279 5.129 19.085 22.563 1.00 0.00 H +TER +ATOM 22907 O WAT 7280 9.127 16.505 23.499 1.00 0.00 O +ATOM 22908 H1 WAT 7280 9.730 17.077 23.974 1.00 0.00 H +ATOM 22909 H2 WAT 7280 8.386 17.068 23.277 1.00 0.00 H +TER +ATOM 22910 O WAT 7281 12.270 16.907 18.773 1.00 0.00 O +ATOM 22911 H1 WAT 7281 12.465 17.805 19.040 1.00 0.00 H +ATOM 22912 H2 WAT 7281 11.483 16.675 19.267 1.00 0.00 H +TER +ATOM 22913 O WAT 7282 2.649 17.990 20.865 1.00 0.00 O +ATOM 22914 H1 WAT 7282 2.020 17.289 21.032 1.00 0.00 H +ATOM 22915 H2 WAT 7282 2.110 18.751 20.649 1.00 0.00 H +TER +ATOM 22916 O WAT 7283 5.588 34.604 33.537 1.00 0.00 O +ATOM 22917 H1 WAT 7283 6.515 34.369 33.580 1.00 0.00 H +ATOM 22918 H2 WAT 7283 5.574 35.431 33.055 1.00 0.00 H +TER +ATOM 22919 O WAT 7284 13.823 34.147 20.534 1.00 0.00 O +ATOM 22920 H1 WAT 7284 13.998 33.461 19.890 1.00 0.00 H +ATOM 22921 H2 WAT 7284 13.125 34.671 20.142 1.00 0.00 H +TER +ATOM 22922 O WAT 7285 2.775 17.269 33.301 1.00 0.00 O +ATOM 22923 H1 WAT 7285 2.493 17.772 32.537 1.00 0.00 H +ATOM 22924 H2 WAT 7285 3.157 16.471 32.935 1.00 0.00 H +TER +ATOM 22925 O WAT 7286 9.376 16.684 33.879 1.00 0.00 O +ATOM 22926 H1 WAT 7286 9.263 17.004 34.774 1.00 0.00 H +ATOM 22927 H2 WAT 7286 10.193 17.085 33.582 1.00 0.00 H +TER +ATOM 22928 O WAT 7287 12.156 33.831 33.361 1.00 0.00 O +ATOM 22929 H1 WAT 7287 12.949 33.336 33.153 1.00 0.00 H +ATOM 22930 H2 WAT 7287 12.450 34.510 33.968 1.00 0.00 H +TER +ATOM 22931 O WAT 7288 8.282 24.703 4.242 1.00 0.00 O +ATOM 22932 H1 WAT 7288 8.202 23.789 3.971 1.00 0.00 H +ATOM 22933 H2 WAT 7288 7.869 25.200 3.536 1.00 0.00 H +TER +ATOM 22934 O WAT 7289 6.414 26.481 6.123 1.00 0.00 O +ATOM 22935 H1 WAT 7289 5.638 26.001 6.413 1.00 0.00 H +ATOM 22936 H2 WAT 7289 7.065 25.802 5.949 1.00 0.00 H +TER +ATOM 22937 O WAT 7290 10.435 30.887 4.903 1.00 0.00 O +ATOM 22938 H1 WAT 7290 9.973 30.116 5.232 1.00 0.00 H +ATOM 22939 H2 WAT 7290 11.247 30.914 5.408 1.00 0.00 H +TER +ATOM 22940 O WAT 7291 6.661 33.173 4.523 1.00 0.00 O +ATOM 22941 H1 WAT 7291 6.042 33.629 3.953 1.00 0.00 H +ATOM 22942 H2 WAT 7291 7.516 33.328 4.122 1.00 0.00 H +TER +ATOM 22943 O WAT 7292 5.855 29.157 6.130 1.00 0.00 O +ATOM 22944 H1 WAT 7292 5.786 28.216 5.969 1.00 0.00 H +ATOM 22945 H2 WAT 7292 6.617 29.247 6.702 1.00 0.00 H +TER +ATOM 22946 O WAT 7293 6.885 21.964 6.357 1.00 0.00 O +ATOM 22947 H1 WAT 7293 7.262 21.091 6.244 1.00 0.00 H +ATOM 22948 H2 WAT 7293 6.787 22.300 5.466 1.00 0.00 H +TER +ATOM 22949 O WAT 7294 10.668 19.459 3.290 1.00 0.00 O +ATOM 22950 H1 WAT 7294 11.489 18.969 3.332 1.00 0.00 H +ATOM 22951 H2 WAT 7294 10.701 20.049 4.043 1.00 0.00 H +TER +ATOM 22952 O WAT 7295 2.857 23.305 6.151 1.00 0.00 O +ATOM 22953 H1 WAT 7295 3.365 23.803 6.792 1.00 0.00 H +ATOM 22954 H2 WAT 7295 3.388 22.529 5.975 1.00 0.00 H +TER +ATOM 22955 O WAT 7296 14.958 21.476 9.854 1.00 0.00 O +ATOM 22956 H1 WAT 7296 14.253 21.864 9.336 1.00 0.00 H +ATOM 22957 H2 WAT 7296 15.224 22.171 10.456 1.00 0.00 H +TER +ATOM 22958 O WAT 7297 2.391 27.585 8.595 1.00 0.00 O +ATOM 22959 H1 WAT 7297 2.058 28.211 9.237 1.00 0.00 H +ATOM 22960 H2 WAT 7297 2.567 28.111 7.815 1.00 0.00 H +TER +ATOM 22961 O WAT 7298 10.904 21.399 6.063 1.00 0.00 O +ATOM 22962 H1 WAT 7298 10.200 21.688 6.643 1.00 0.00 H +ATOM 22963 H2 WAT 7298 11.265 22.209 5.703 1.00 0.00 H +TER +ATOM 22964 O WAT 7299 12.520 31.017 8.325 1.00 0.00 O +ATOM 22965 H1 WAT 7299 11.837 31.686 8.317 1.00 0.00 H +ATOM 22966 H2 WAT 7299 13.060 31.215 7.560 1.00 0.00 H +TER +ATOM 22967 O WAT 7300 13.973 20.845 6.454 1.00 0.00 O +ATOM 22968 H1 WAT 7300 13.025 20.878 6.585 1.00 0.00 H +ATOM 22969 H2 WAT 7300 14.298 21.658 6.838 1.00 0.00 H +TER +ATOM 22970 O WAT 7301 4.505 17.144 4.749 1.00 0.00 O +ATOM 22971 H1 WAT 7301 4.812 16.589 4.033 1.00 0.00 H +ATOM 22972 H2 WAT 7301 3.575 17.279 4.566 1.00 0.00 H +TER +ATOM 22973 O WAT 7302 10.056 32.861 7.040 1.00 0.00 O +ATOM 22974 H1 WAT 7302 10.069 32.457 6.172 1.00 0.00 H +ATOM 22975 H2 WAT 7302 9.504 33.636 6.936 1.00 0.00 H +TER +ATOM 22976 O WAT 7303 11.351 29.583 2.129 1.00 0.00 O +ATOM 22977 H1 WAT 7303 11.240 28.640 2.254 1.00 0.00 H +ATOM 22978 H2 WAT 7303 11.347 29.944 3.015 1.00 0.00 H +TER +ATOM 22979 O WAT 7304 9.455 27.764 8.368 1.00 0.00 O +ATOM 22980 H1 WAT 7304 9.872 27.550 7.534 1.00 0.00 H +ATOM 22981 H2 WAT 7304 10.179 28.021 8.939 1.00 0.00 H +TER +ATOM 22982 O WAT 7305 13.401 26.163 8.460 1.00 0.00 O +ATOM 22983 H1 WAT 7305 12.573 26.232 7.985 1.00 0.00 H +ATOM 22984 H2 WAT 7305 13.996 26.748 7.991 1.00 0.00 H +TER +ATOM 22985 O WAT 7306 10.365 22.950 9.405 1.00 0.00 O +ATOM 22986 H1 WAT 7306 9.952 23.775 9.659 1.00 0.00 H +ATOM 22987 H2 WAT 7306 9.633 22.364 9.213 1.00 0.00 H +TER +ATOM 22988 O WAT 7307 2.498 25.736 4.267 1.00 0.00 O +ATOM 22989 H1 WAT 7307 2.094 25.023 3.772 1.00 0.00 H +ATOM 22990 H2 WAT 7307 2.585 25.391 5.156 1.00 0.00 H +TER +ATOM 22991 O WAT 7308 2.967 29.422 6.431 1.00 0.00 O +ATOM 22992 H1 WAT 7308 2.669 28.817 5.752 1.00 0.00 H +ATOM 22993 H2 WAT 7308 3.917 29.460 6.320 1.00 0.00 H +TER +ATOM 22994 O WAT 7309 11.055 32.996 10.093 1.00 0.00 O +ATOM 22995 H1 WAT 7309 10.578 33.803 9.901 1.00 0.00 H +ATOM 22996 H2 WAT 7309 10.371 32.343 10.246 1.00 0.00 H +TER +ATOM 22997 O WAT 7310 7.208 30.949 2.964 1.00 0.00 O +ATOM 22998 H1 WAT 7310 7.648 31.692 2.550 1.00 0.00 H +ATOM 22999 H2 WAT 7310 7.147 31.192 3.888 1.00 0.00 H +TER +ATOM 23000 O WAT 7311 2.684 31.974 13.866 1.00 0.00 O +ATOM 23001 H1 WAT 7311 2.655 32.378 12.999 1.00 0.00 H +ATOM 23002 H2 WAT 7311 2.520 31.045 13.703 1.00 0.00 H +TER +ATOM 23003 O WAT 7312 14.635 32.757 15.163 1.00 0.00 O +ATOM 23004 H1 WAT 7312 15.111 33.235 15.841 1.00 0.00 H +ATOM 23005 H2 WAT 7312 15.256 32.688 14.437 1.00 0.00 H +TER +ATOM 23006 O WAT 7313 14.038 29.948 12.323 1.00 0.00 O +ATOM 23007 H1 WAT 7313 14.165 29.709 11.404 1.00 0.00 H +ATOM 23008 H2 WAT 7313 14.080 29.116 12.795 1.00 0.00 H +TER +ATOM 23009 O WAT 7314 7.900 33.651 10.892 1.00 0.00 O +ATOM 23010 H1 WAT 7314 8.414 33.562 11.694 1.00 0.00 H +ATOM 23011 H2 WAT 7314 7.057 33.997 11.185 1.00 0.00 H +TER +ATOM 23012 O WAT 7315 9.143 33.071 2.955 1.00 0.00 O +ATOM 23013 H1 WAT 7315 9.599 32.290 3.269 1.00 0.00 H +ATOM 23014 H2 WAT 7315 9.482 33.782 3.499 1.00 0.00 H +TER +ATOM 23015 O WAT 7316 13.891 22.001 13.287 1.00 0.00 O +ATOM 23016 H1 WAT 7316 13.275 22.509 12.759 1.00 0.00 H +ATOM 23017 H2 WAT 7316 13.570 21.101 13.230 1.00 0.00 H +TER +ATOM 23018 O WAT 7317 5.952 20.840 10.754 1.00 0.00 O +ATOM 23019 H1 WAT 7317 5.490 21.049 11.566 1.00 0.00 H +ATOM 23020 H2 WAT 7317 5.550 20.026 10.451 1.00 0.00 H +TER +ATOM 23021 O WAT 7318 10.953 22.061 11.883 1.00 0.00 O +ATOM 23022 H1 WAT 7318 10.102 21.762 12.204 1.00 0.00 H +ATOM 23023 H2 WAT 7318 10.793 22.306 10.972 1.00 0.00 H +TER +ATOM 23024 O WAT 7319 8.048 23.562 13.983 1.00 0.00 O +ATOM 23025 H1 WAT 7319 8.373 22.728 13.643 1.00 0.00 H +ATOM 23026 H2 WAT 7319 8.836 24.084 14.131 1.00 0.00 H +TER +ATOM 23027 O WAT 7320 3.703 18.518 7.009 1.00 0.00 O +ATOM 23028 H1 WAT 7320 4.000 19.425 6.928 1.00 0.00 H +ATOM 23029 H2 WAT 7320 4.251 18.030 6.395 1.00 0.00 H +TER +ATOM 23030 O WAT 7321 3.897 23.996 13.544 1.00 0.00 O +ATOM 23031 H1 WAT 7321 3.801 23.055 13.394 1.00 0.00 H +ATOM 23032 H2 WAT 7321 4.740 24.217 13.149 1.00 0.00 H +TER +ATOM 23033 O WAT 7322 7.293 21.740 3.508 1.00 0.00 O +ATOM 23034 H1 WAT 7322 7.686 22.057 2.695 1.00 0.00 H +ATOM 23035 H2 WAT 7322 7.655 20.861 3.622 1.00 0.00 H +TER +ATOM 23036 O WAT 7323 5.602 20.490 14.767 1.00 0.00 O +ATOM 23037 H1 WAT 7323 4.912 20.298 15.402 1.00 0.00 H +ATOM 23038 H2 WAT 7323 6.345 20.774 15.300 1.00 0.00 H +TER +ATOM 23039 O WAT 7324 7.878 24.330 7.603 1.00 0.00 O +ATOM 23040 H1 WAT 7324 7.147 24.839 7.952 1.00 0.00 H +ATOM 23041 H2 WAT 7324 7.481 23.513 7.302 1.00 0.00 H +TER +ATOM 23042 O WAT 7325 4.316 21.006 6.008 1.00 0.00 O +ATOM 23043 H1 WAT 7325 4.320 20.565 5.158 1.00 0.00 H +ATOM 23044 H2 WAT 7325 5.211 21.327 6.115 1.00 0.00 H +TER +ATOM 23045 O WAT 7326 8.341 19.784 7.015 1.00 0.00 O +ATOM 23046 H1 WAT 7326 8.358 20.234 7.859 1.00 0.00 H +ATOM 23047 H2 WAT 7326 8.093 18.884 7.228 1.00 0.00 H +TER +ATOM 23048 O WAT 7327 11.768 17.197 12.854 1.00 0.00 O +ATOM 23049 H1 WAT 7327 12.093 16.466 13.380 1.00 0.00 H +ATOM 23050 H2 WAT 7327 11.804 16.878 11.952 1.00 0.00 H +TER +ATOM 23051 O WAT 7328 4.617 25.066 7.755 1.00 0.00 O +ATOM 23052 H1 WAT 7328 4.984 24.592 8.501 1.00 0.00 H +ATOM 23053 H2 WAT 7328 4.427 25.940 8.095 1.00 0.00 H +TER +ATOM 23054 O WAT 7329 2.407 24.107 10.073 1.00 0.00 O +ATOM 23055 H1 WAT 7329 2.103 24.986 10.298 1.00 0.00 H +ATOM 23056 H2 WAT 7329 3.362 24.167 10.109 1.00 0.00 H +TER +ATOM 23057 O WAT 7330 11.694 27.309 6.462 1.00 0.00 O +ATOM 23058 H1 WAT 7330 12.414 27.805 6.072 1.00 0.00 H +ATOM 23059 H2 WAT 7330 11.492 26.631 5.818 1.00 0.00 H +TER +ATOM 23060 O WAT 7331 7.076 27.380 12.349 1.00 0.00 O +ATOM 23061 H1 WAT 7331 7.009 26.460 12.095 1.00 0.00 H +ATOM 23062 H2 WAT 7331 6.446 27.478 13.064 1.00 0.00 H +TER +ATOM 23063 O WAT 7332 7.007 30.202 12.100 1.00 0.00 O +ATOM 23064 H1 WAT 7332 7.022 29.270 11.881 1.00 0.00 H +ATOM 23065 H2 WAT 7332 6.300 30.288 12.739 1.00 0.00 H +TER +ATOM 23066 O WAT 7333 13.219 26.843 11.446 1.00 0.00 O +ATOM 23067 H1 WAT 7333 12.493 27.436 11.249 1.00 0.00 H +ATOM 23068 H2 WAT 7333 13.746 26.835 10.648 1.00 0.00 H +TER +ATOM 23069 O WAT 7334 8.748 28.569 4.945 1.00 0.00 O +ATOM 23070 H1 WAT 7334 9.101 27.972 4.285 1.00 0.00 H +ATOM 23071 H2 WAT 7334 7.865 28.243 5.116 1.00 0.00 H +TER +ATOM 23072 O WAT 7335 4.835 29.329 2.352 1.00 0.00 O +ATOM 23073 H1 WAT 7335 5.522 29.876 2.733 1.00 0.00 H +ATOM 23074 H2 WAT 7335 4.048 29.873 2.387 1.00 0.00 H +TER +ATOM 23075 O WAT 7336 6.441 31.844 9.194 1.00 0.00 O +ATOM 23076 H1 WAT 7336 7.085 32.050 9.871 1.00 0.00 H +ATOM 23077 H2 WAT 7336 6.804 31.083 8.741 1.00 0.00 H +TER +ATOM 23078 O WAT 7337 7.714 29.847 7.911 1.00 0.00 O +ATOM 23079 H1 WAT 7337 8.356 29.147 8.025 1.00 0.00 H +ATOM 23080 H2 WAT 7337 8.239 30.627 7.731 1.00 0.00 H +TER +ATOM 23081 O WAT 7338 9.488 30.647 11.115 1.00 0.00 O +ATOM 23082 H1 WAT 7338 9.823 31.233 11.793 1.00 0.00 H +ATOM 23083 H2 WAT 7338 8.568 30.516 11.345 1.00 0.00 H +TER +ATOM 23084 O WAT 7339 5.317 30.696 14.284 1.00 0.00 O +ATOM 23085 H1 WAT 7339 4.996 29.977 14.828 1.00 0.00 H +ATOM 23086 H2 WAT 7339 4.642 31.371 14.357 1.00 0.00 H +TER +ATOM 23087 O WAT 7340 8.532 20.929 9.647 1.00 0.00 O +ATOM 23088 H1 WAT 7340 8.900 20.108 9.975 1.00 0.00 H +ATOM 23089 H2 WAT 7340 7.672 20.989 10.063 1.00 0.00 H +TER +ATOM 23090 O WAT 7341 5.492 23.582 9.871 1.00 0.00 O +ATOM 23091 H1 WAT 7341 5.991 24.057 10.536 1.00 0.00 H +ATOM 23092 H2 WAT 7341 5.634 22.659 10.078 1.00 0.00 H +TER +ATOM 23093 O WAT 7342 7.898 18.888 3.312 1.00 0.00 O +ATOM 23094 H1 WAT 7342 7.775 18.906 2.363 1.00 0.00 H +ATOM 23095 H2 WAT 7342 8.847 18.936 3.431 1.00 0.00 H +TER +ATOM 23096 O WAT 7343 12.699 19.799 10.714 1.00 0.00 O +ATOM 23097 H1 WAT 7343 12.196 20.540 11.053 1.00 0.00 H +ATOM 23098 H2 WAT 7343 13.515 20.188 10.398 1.00 0.00 H +TER +ATOM 23099 O WAT 7344 10.991 25.043 4.160 1.00 0.00 O +ATOM 23100 H1 WAT 7344 10.050 25.058 4.335 1.00 0.00 H +ATOM 23101 H2 WAT 7344 11.305 24.256 4.606 1.00 0.00 H +TER +ATOM 23102 O WAT 7345 12.994 32.213 5.836 1.00 0.00 O +ATOM 23103 H1 WAT 7345 13.118 33.037 6.308 1.00 0.00 H +ATOM 23104 H2 WAT 7345 13.860 32.003 5.488 1.00 0.00 H +TER +ATOM 23105 O WAT 7346 8.308 29.599 14.643 1.00 0.00 O +ATOM 23106 H1 WAT 7346 7.701 29.622 13.903 1.00 0.00 H +ATOM 23107 H2 WAT 7346 8.003 28.867 15.180 1.00 0.00 H +TER +ATOM 23108 O WAT 7347 9.738 33.327 13.254 1.00 0.00 O +ATOM 23109 H1 WAT 7347 10.690 33.243 13.204 1.00 0.00 H +ATOM 23110 H2 WAT 7347 9.591 33.991 13.928 1.00 0.00 H +TER +ATOM 23111 O WAT 7348 4.245 27.386 13.173 1.00 0.00 O +ATOM 23112 H1 WAT 7348 3.479 27.954 13.089 1.00 0.00 H +ATOM 23113 H2 WAT 7348 4.426 27.093 12.280 1.00 0.00 H +TER +ATOM 23114 O WAT 7349 11.387 29.116 13.731 1.00 0.00 O +ATOM 23115 H1 WAT 7349 12.128 29.454 13.227 1.00 0.00 H +ATOM 23116 H2 WAT 7349 10.624 29.285 13.178 1.00 0.00 H +TER +ATOM 23117 O WAT 7350 10.062 27.168 12.266 1.00 0.00 O +ATOM 23118 H1 WAT 7350 10.476 27.322 13.115 1.00 0.00 H +ATOM 23119 H2 WAT 7350 9.127 27.293 12.429 1.00 0.00 H +TER +ATOM 23120 O WAT 7351 10.534 24.507 14.270 1.00 0.00 O +ATOM 23121 H1 WAT 7351 11.116 23.752 14.182 1.00 0.00 H +ATOM 23122 H2 WAT 7351 10.710 25.038 13.493 1.00 0.00 H +TER +ATOM 23123 O WAT 7352 4.417 18.224 9.614 1.00 0.00 O +ATOM 23124 H1 WAT 7352 3.969 18.247 8.769 1.00 0.00 H +ATOM 23125 H2 WAT 7352 3.784 17.826 10.212 1.00 0.00 H +TER +ATOM 23126 O WAT 7353 4.823 27.120 10.236 1.00 0.00 O +ATOM 23127 H1 WAT 7353 5.242 27.963 10.063 1.00 0.00 H +ATOM 23128 H2 WAT 7353 3.904 27.257 10.006 1.00 0.00 H +TER +ATOM 23129 O WAT 7354 7.160 24.851 11.620 1.00 0.00 O +ATOM 23130 H1 WAT 7354 7.279 24.255 12.359 1.00 0.00 H +ATOM 23131 H2 WAT 7354 8.019 24.888 11.200 1.00 0.00 H +TER +ATOM 23132 O WAT 7355 9.498 25.405 10.196 1.00 0.00 O +ATOM 23133 H1 WAT 7355 8.972 25.929 9.592 1.00 0.00 H +ATOM 23134 H2 WAT 7355 9.842 26.038 10.827 1.00 0.00 H +TER +ATOM 23135 O WAT 7356 2.674 33.425 11.351 1.00 0.00 O +ATOM 23136 H1 WAT 7356 2.136 34.150 11.032 1.00 0.00 H +ATOM 23137 H2 WAT 7356 2.927 32.948 10.561 1.00 0.00 H +TER +ATOM 23138 O WAT 7357 3.926 21.393 12.877 1.00 0.00 O +ATOM 23139 H1 WAT 7357 4.516 21.085 13.565 1.00 0.00 H +ATOM 23140 H2 WAT 7357 3.108 20.921 13.033 1.00 0.00 H +TER +ATOM 23141 O WAT 7358 8.746 21.010 13.110 1.00 0.00 O +ATOM 23142 H1 WAT 7358 8.057 20.348 13.045 1.00 0.00 H +ATOM 23143 H2 WAT 7358 9.466 20.564 13.555 1.00 0.00 H +TER +ATOM 23144 O WAT 7359 5.530 34.660 11.610 1.00 0.00 O +ATOM 23145 H1 WAT 7359 5.456 35.564 11.917 1.00 0.00 H +ATOM 23146 H2 WAT 7359 4.628 34.341 11.582 1.00 0.00 H +TER +ATOM 23147 O WAT 7360 13.058 32.356 11.939 1.00 0.00 O +ATOM 23148 H1 WAT 7360 12.458 32.416 11.196 1.00 0.00 H +ATOM 23149 H2 WAT 7360 13.188 31.417 12.069 1.00 0.00 H +TER +ATOM 23150 O WAT 7361 14.760 27.698 4.624 1.00 0.00 O +ATOM 23151 H1 WAT 7361 15.131 26.915 4.218 1.00 0.00 H +ATOM 23152 H2 WAT 7361 15.400 28.387 4.446 1.00 0.00 H +TER +ATOM 23153 O WAT 7362 11.743 29.082 10.037 1.00 0.00 O +ATOM 23154 H1 WAT 7362 10.929 29.511 10.300 1.00 0.00 H +ATOM 23155 H2 WAT 7362 12.151 29.693 9.424 1.00 0.00 H +TER +ATOM 23156 O WAT 7363 13.092 24.220 11.564 1.00 0.00 O +ATOM 23157 H1 WAT 7363 12.861 23.992 10.664 1.00 0.00 H +ATOM 23158 H2 WAT 7363 13.353 25.140 11.518 1.00 0.00 H +TER +ATOM 23159 O WAT 7364 11.531 19.446 14.342 1.00 0.00 O +ATOM 23160 H1 WAT 7364 12.408 19.454 14.725 1.00 0.00 H +ATOM 23161 H2 WAT 7364 11.543 18.709 13.731 1.00 0.00 H +TER +ATOM 23162 O WAT 7365 12.977 23.299 5.231 1.00 0.00 O +ATOM 23163 H1 WAT 7365 13.501 22.805 4.600 1.00 0.00 H +ATOM 23164 H2 WAT 7365 13.563 23.434 5.975 1.00 0.00 H +TER +ATOM 23165 O WAT 7366 13.156 23.383 8.753 1.00 0.00 O +ATOM 23166 H1 WAT 7366 12.207 23.349 8.867 1.00 0.00 H +ATOM 23167 H2 WAT 7366 13.338 24.293 8.518 1.00 0.00 H +TER +ATOM 23168 O WAT 7367 13.896 21.192 3.704 1.00 0.00 O +ATOM 23169 H1 WAT 7367 13.786 21.038 4.642 1.00 0.00 H +ATOM 23170 H2 WAT 7367 14.657 20.664 3.461 1.00 0.00 H +TER +ATOM 23171 O WAT 7368 12.243 17.132 10.162 1.00 0.00 O +ATOM 23172 H1 WAT 7368 12.880 17.745 10.528 1.00 0.00 H +ATOM 23173 H2 WAT 7368 12.390 17.168 9.217 1.00 0.00 H +TER +ATOM 23174 O WAT 7369 11.801 33.833 3.564 1.00 0.00 O +ATOM 23175 H1 WAT 7369 12.397 33.512 2.887 1.00 0.00 H +ATOM 23176 H2 WAT 7369 12.059 33.361 4.355 1.00 0.00 H +TER +ATOM 23177 O WAT 7370 3.408 31.821 9.314 1.00 0.00 O +ATOM 23178 H1 WAT 7370 3.167 32.089 8.427 1.00 0.00 H +ATOM 23179 H2 WAT 7370 4.348 31.992 9.369 1.00 0.00 H +TER +ATOM 23180 O WAT 7371 5.613 18.284 13.070 1.00 0.00 O +ATOM 23181 H1 WAT 7371 5.552 18.877 13.819 1.00 0.00 H +ATOM 23182 H2 WAT 7371 6.553 18.177 12.925 1.00 0.00 H +TER +ATOM 23183 O WAT 7372 8.251 17.941 12.709 1.00 0.00 O +ATOM 23184 H1 WAT 7372 8.865 18.259 12.047 1.00 0.00 H +ATOM 23185 H2 WAT 7372 8.796 17.456 13.328 1.00 0.00 H +TER +ATOM 23186 O WAT 7373 14.668 33.841 10.115 1.00 0.00 O +ATOM 23187 H1 WAT 7373 14.174 34.237 9.398 1.00 0.00 H +ATOM 23188 H2 WAT 7373 14.059 33.216 10.509 1.00 0.00 H +TER +ATOM 23189 O WAT 7374 8.991 16.505 9.036 1.00 0.00 O +ATOM 23190 H1 WAT 7374 8.117 16.838 8.833 1.00 0.00 H +ATOM 23191 H2 WAT 7374 8.883 16.032 9.861 1.00 0.00 H +TER +ATOM 23192 O WAT 7375 9.899 18.712 10.420 1.00 0.00 O +ATOM 23193 H1 WAT 7375 9.570 17.897 10.040 1.00 0.00 H +ATOM 23194 H2 WAT 7375 10.847 18.669 10.296 1.00 0.00 H +TER +ATOM 23195 O WAT 7376 12.352 34.483 7.394 1.00 0.00 O +ATOM 23196 H1 WAT 7376 11.892 35.235 7.019 1.00 0.00 H +ATOM 23197 H2 WAT 7376 11.723 33.764 7.335 1.00 0.00 H +TER +ATOM 23198 O WAT 7377 2.782 32.792 6.568 1.00 0.00 O +ATOM 23199 H1 WAT 7377 3.298 32.180 6.043 1.00 0.00 H +ATOM 23200 H2 WAT 7377 3.431 33.295 7.060 1.00 0.00 H +TER +ATOM 23201 O WAT 7378 5.521 33.683 7.395 1.00 0.00 O +ATOM 23202 H1 WAT 7378 5.809 33.428 6.519 1.00 0.00 H +ATOM 23203 H2 WAT 7378 6.034 33.130 7.986 1.00 0.00 H +TER +ATOM 23204 O WAT 7379 6.739 17.422 7.975 1.00 0.00 O +ATOM 23205 H1 WAT 7379 5.956 17.896 8.255 1.00 0.00 H +ATOM 23206 H2 WAT 7379 6.445 16.517 7.866 1.00 0.00 H +TER +ATOM 23207 O WAT 7380 11.291 18.124 6.020 1.00 0.00 O +ATOM 23208 H1 WAT 7380 11.732 18.068 5.172 1.00 0.00 H +ATOM 23209 H2 WAT 7380 11.022 19.040 6.091 1.00 0.00 H +TER +ATOM 23210 O WAT 7381 13.155 17.755 4.031 1.00 0.00 O +ATOM 23211 H1 WAT 7381 13.094 16.812 3.884 1.00 0.00 H +ATOM 23212 H2 WAT 7381 13.934 17.863 4.576 1.00 0.00 H +TER +ATOM 23213 O WAT 7382 4.624 19.840 3.487 1.00 0.00 O +ATOM 23214 H1 WAT 7382 3.812 19.466 3.146 1.00 0.00 H +ATOM 23215 H2 WAT 7382 5.129 19.085 3.789 1.00 0.00 H +TER +ATOM 23216 O WAT 7383 9.127 16.505 4.725 1.00 0.00 O +ATOM 23217 H1 WAT 7383 9.730 17.077 5.200 1.00 0.00 H +ATOM 23218 H2 WAT 7383 8.386 17.068 4.502 1.00 0.00 H +TER +ATOM 23219 O WAT 7384 5.588 34.604 14.762 1.00 0.00 O +ATOM 23220 H1 WAT 7384 6.515 34.369 14.806 1.00 0.00 H +ATOM 23221 H2 WAT 7384 5.574 35.431 14.281 1.00 0.00 H +TER +ATOM 23222 O WAT 7385 2.775 17.269 14.526 1.00 0.00 O +ATOM 23223 H1 WAT 7385 2.493 17.772 13.762 1.00 0.00 H +ATOM 23224 H2 WAT 7385 3.157 16.471 14.161 1.00 0.00 H +TER +ATOM 23225 O WAT 7386 9.376 16.684 15.104 1.00 0.00 O +ATOM 23226 H1 WAT 7386 9.263 17.004 16.000 1.00 0.00 H +ATOM 23227 H2 WAT 7386 10.193 17.085 14.808 1.00 0.00 H +TER +ATOM 23228 O WAT 7387 12.156 33.831 14.586 1.00 0.00 O +ATOM 23229 H1 WAT 7387 12.949 33.336 14.379 1.00 0.00 H +ATOM 23230 H2 WAT 7387 12.450 34.510 15.194 1.00 0.00 H +TER +ATOM 23231 O WAT 7388 8.282 5.929 60.565 1.00 0.00 O +ATOM 23232 H1 WAT 7388 8.202 5.014 60.294 1.00 0.00 H +ATOM 23233 H2 WAT 7388 7.869 6.426 59.859 1.00 0.00 H +TER +ATOM 23234 O WAT 7389 6.414 7.707 62.446 1.00 0.00 O +ATOM 23235 H1 WAT 7389 5.638 7.227 62.736 1.00 0.00 H +ATOM 23236 H2 WAT 7389 7.065 7.027 62.272 1.00 0.00 H +TER +ATOM 23237 O WAT 7390 10.435 12.113 61.226 1.00 0.00 O +ATOM 23238 H1 WAT 7390 9.973 11.342 61.555 1.00 0.00 H +ATOM 23239 H2 WAT 7390 11.247 12.139 61.731 1.00 0.00 H +TER +ATOM 23240 O WAT 7391 6.661 14.399 60.847 1.00 0.00 O +ATOM 23241 H1 WAT 7391 6.042 14.854 60.276 1.00 0.00 H +ATOM 23242 H2 WAT 7391 7.516 14.554 60.445 1.00 0.00 H +TER +ATOM 23243 O WAT 7392 5.855 10.383 62.453 1.00 0.00 O +ATOM 23244 H1 WAT 7392 5.786 9.442 62.292 1.00 0.00 H +ATOM 23245 H2 WAT 7392 6.617 10.473 63.025 1.00 0.00 H +TER +ATOM 23246 O WAT 7393 6.885 3.190 62.680 1.00 0.00 O +ATOM 23247 H1 WAT 7393 7.262 2.317 62.567 1.00 0.00 H +ATOM 23248 H2 WAT 7393 6.787 3.525 61.789 1.00 0.00 H +TER +ATOM 23249 O WAT 7394 2.857 4.531 62.474 1.00 0.00 O +ATOM 23250 H1 WAT 7394 3.365 5.029 63.115 1.00 0.00 H +ATOM 23251 H2 WAT 7394 3.388 3.754 62.298 1.00 0.00 H +TER +ATOM 23252 O WAT 7395 7.527 9.283 58.240 1.00 0.00 O +ATOM 23253 H1 WAT 7395 6.909 9.748 57.676 1.00 0.00 H +ATOM 23254 H2 WAT 7395 8.040 9.975 58.657 1.00 0.00 H +TER +ATOM 23255 O WAT 7396 2.391 8.810 64.918 1.00 0.00 O +ATOM 23256 H1 WAT 7396 2.058 9.437 65.560 1.00 0.00 H +ATOM 23257 H2 WAT 7396 2.567 9.336 64.138 1.00 0.00 H +TER +ATOM 23258 O WAT 7397 10.904 2.625 62.386 1.00 0.00 O +ATOM 23259 H1 WAT 7397 10.200 2.913 62.966 1.00 0.00 H +ATOM 23260 H2 WAT 7397 11.265 3.435 62.026 1.00 0.00 H +TER +ATOM 23261 O WAT 7398 12.520 12.242 64.648 1.00 0.00 O +ATOM 23262 H1 WAT 7398 11.837 12.912 64.640 1.00 0.00 H +ATOM 23263 H2 WAT 7398 13.060 12.440 63.883 1.00 0.00 H +TER +ATOM 23264 O WAT 7399 13.973 2.070 62.777 1.00 0.00 O +ATOM 23265 H1 WAT 7399 13.025 2.104 62.908 1.00 0.00 H +ATOM 23266 H2 WAT 7399 14.298 2.884 63.162 1.00 0.00 H +TER +ATOM 23267 O WAT 7400 10.056 14.087 63.363 1.00 0.00 O +ATOM 23268 H1 WAT 7400 10.069 13.683 62.495 1.00 0.00 H +ATOM 23269 H2 WAT 7400 9.504 14.861 63.259 1.00 0.00 H +TER +ATOM 23270 O WAT 7401 11.351 10.808 58.452 1.00 0.00 O +ATOM 23271 H1 WAT 7401 11.240 9.866 58.577 1.00 0.00 H +ATOM 23272 H2 WAT 7401 11.347 11.170 59.338 1.00 0.00 H +TER +ATOM 23273 O WAT 7402 9.455 8.990 64.691 1.00 0.00 O +ATOM 23274 H1 WAT 7402 9.872 8.776 63.857 1.00 0.00 H +ATOM 23275 H2 WAT 7402 10.179 9.247 65.262 1.00 0.00 H +TER +ATOM 23276 O WAT 7403 6.893 6.435 57.808 1.00 0.00 O +ATOM 23277 H1 WAT 7403 5.966 6.368 58.037 1.00 0.00 H +ATOM 23278 H2 WAT 7403 7.045 7.373 57.694 1.00 0.00 H +TER +ATOM 23279 O WAT 7404 6.880 2.706 54.805 1.00 0.00 O +ATOM 23280 H1 WAT 7404 5.940 2.868 54.890 1.00 0.00 H +ATOM 23281 H2 WAT 7404 7.198 3.425 54.259 1.00 0.00 H +TER +ATOM 23282 O WAT 7405 13.401 7.388 64.783 1.00 0.00 O +ATOM 23283 H1 WAT 7405 12.573 7.458 64.308 1.00 0.00 H +ATOM 23284 H2 WAT 7405 13.996 7.974 64.314 1.00 0.00 H +TER +ATOM 23285 O WAT 7406 10.922 7.997 58.312 1.00 0.00 O +ATOM 23286 H1 WAT 7406 10.304 7.659 57.664 1.00 0.00 H +ATOM 23287 H2 WAT 7406 10.905 7.353 59.020 1.00 0.00 H +TER +ATOM 23288 O WAT 7407 10.365 4.175 65.728 1.00 0.00 O +ATOM 23289 H1 WAT 7407 9.952 5.001 65.982 1.00 0.00 H +ATOM 23290 H2 WAT 7407 9.633 3.590 65.536 1.00 0.00 H +TER +ATOM 23291 O WAT 7408 2.498 6.961 60.590 1.00 0.00 O +ATOM 23292 H1 WAT 7408 2.094 6.249 60.095 1.00 0.00 H +ATOM 23293 H2 WAT 7408 2.585 6.617 61.479 1.00 0.00 H +TER +ATOM 23294 O WAT 7409 2.967 10.648 62.754 1.00 0.00 O +ATOM 23295 H1 WAT 7409 2.669 10.043 62.075 1.00 0.00 H +ATOM 23296 H2 WAT 7409 3.917 10.686 62.643 1.00 0.00 H +TER +ATOM 23297 O WAT 7410 9.099 7.235 55.319 1.00 0.00 O +ATOM 23298 H1 WAT 7410 9.538 6.398 55.173 1.00 0.00 H +ATOM 23299 H2 WAT 7410 9.812 7.868 55.405 1.00 0.00 H +TER +ATOM 23300 O WAT 7411 7.208 12.175 59.287 1.00 0.00 O +ATOM 23301 H1 WAT 7411 7.648 12.918 58.873 1.00 0.00 H +ATOM 23302 H2 WAT 7411 7.147 12.418 60.211 1.00 0.00 H +TER +ATOM 23303 O WAT 7412 9.875 15.162 56.643 1.00 0.00 O +ATOM 23304 H1 WAT 7412 9.716 14.872 57.542 1.00 0.00 H +ATOM 23305 H2 WAT 7412 9.710 14.386 56.108 1.00 0.00 H +TER +ATOM 23306 O WAT 7413 9.578 12.671 55.203 1.00 0.00 O +ATOM 23307 H1 WAT 7413 8.885 12.668 54.543 1.00 0.00 H +ATOM 23308 H2 WAT 7413 10.320 12.247 54.773 1.00 0.00 H +TER +ATOM 23309 O WAT 7414 9.143 14.297 59.278 1.00 0.00 O +ATOM 23310 H1 WAT 7414 9.599 13.516 59.592 1.00 0.00 H +ATOM 23311 H2 WAT 7414 9.482 15.008 59.822 1.00 0.00 H +TER +ATOM 23312 O WAT 7415 8.686 4.329 57.800 1.00 0.00 O +ATOM 23313 H1 WAT 7415 8.087 5.053 57.617 1.00 0.00 H +ATOM 23314 H2 WAT 7415 9.234 4.267 57.018 1.00 0.00 H +TER +ATOM 23315 O WAT 7416 7.293 2.965 59.831 1.00 0.00 O +ATOM 23316 H1 WAT 7416 7.686 3.283 59.018 1.00 0.00 H +ATOM 23317 H2 WAT 7416 7.655 2.086 59.945 1.00 0.00 H +TER +ATOM 23318 O WAT 7417 7.878 5.556 63.926 1.00 0.00 O +ATOM 23319 H1 WAT 7417 7.147 6.065 64.275 1.00 0.00 H +ATOM 23320 H2 WAT 7417 7.481 4.739 63.625 1.00 0.00 H +TER +ATOM 23321 O WAT 7418 4.378 3.232 55.322 1.00 0.00 O +ATOM 23322 H1 WAT 7418 4.499 3.191 56.270 1.00 0.00 H +ATOM 23323 H2 WAT 7418 3.993 4.095 55.166 1.00 0.00 H +TER +ATOM 23324 O WAT 7419 3.390 5.543 54.720 1.00 0.00 O +ATOM 23325 H1 WAT 7419 2.822 5.094 54.094 1.00 0.00 H +ATOM 23326 H2 WAT 7419 4.099 5.902 54.187 1.00 0.00 H +TER +ATOM 23327 O WAT 7420 4.617 6.291 64.078 1.00 0.00 O +ATOM 23328 H1 WAT 7420 4.984 5.817 64.824 1.00 0.00 H +ATOM 23329 H2 WAT 7420 4.427 7.166 64.418 1.00 0.00 H +TER +ATOM 23330 O WAT 7421 11.694 8.535 62.785 1.00 0.00 O +ATOM 23331 H1 WAT 7421 12.414 9.030 62.395 1.00 0.00 H +ATOM 23332 H2 WAT 7421 11.492 7.857 62.141 1.00 0.00 H +TER +ATOM 23333 O WAT 7422 9.870 4.301 55.225 1.00 0.00 O +ATOM 23334 H1 WAT 7422 10.758 4.612 55.050 1.00 0.00 H +ATOM 23335 H2 WAT 7422 9.840 3.428 54.833 1.00 0.00 H +TER +ATOM 23336 O WAT 7423 5.866 10.473 55.903 1.00 0.00 O +ATOM 23337 H1 WAT 7423 6.207 11.217 55.408 1.00 0.00 H +ATOM 23338 H2 WAT 7423 5.037 10.786 56.266 1.00 0.00 H +TER +ATOM 23339 O WAT 7424 12.141 5.612 54.692 1.00 0.00 O +ATOM 23340 H1 WAT 7424 12.057 6.043 53.842 1.00 0.00 H +ATOM 23341 H2 WAT 7424 12.861 6.072 55.125 1.00 0.00 H +TER +ATOM 23342 O WAT 7425 13.170 12.466 57.421 1.00 0.00 O +ATOM 23343 H1 WAT 7425 12.527 11.812 57.695 1.00 0.00 H +ATOM 23344 H2 WAT 7425 12.783 12.872 56.645 1.00 0.00 H +TER +ATOM 23345 O WAT 7426 8.748 9.795 61.268 1.00 0.00 O +ATOM 23346 H1 WAT 7426 9.101 9.197 60.608 1.00 0.00 H +ATOM 23347 H2 WAT 7426 7.865 9.469 61.439 1.00 0.00 H +TER +ATOM 23348 O WAT 7427 4.835 10.554 58.675 1.00 0.00 O +ATOM 23349 H1 WAT 7427 5.522 11.101 59.056 1.00 0.00 H +ATOM 23350 H2 WAT 7427 4.048 11.099 58.710 1.00 0.00 H +TER +ATOM 23351 O WAT 7428 4.138 7.559 58.287 1.00 0.00 O +ATOM 23352 H1 WAT 7428 4.594 8.370 58.513 1.00 0.00 H +ATOM 23353 H2 WAT 7428 3.786 7.241 59.119 1.00 0.00 H +TER +ATOM 23354 O WAT 7429 7.714 11.073 64.234 1.00 0.00 O +ATOM 23355 H1 WAT 7429 8.356 10.372 64.348 1.00 0.00 H +ATOM 23356 H2 WAT 7429 8.239 11.853 64.054 1.00 0.00 H +TER +ATOM 23357 O WAT 7430 11.560 11.358 53.958 1.00 0.00 O +ATOM 23358 H1 WAT 7430 11.333 10.641 54.551 1.00 0.00 H +ATOM 23359 H2 WAT 7430 11.169 11.109 53.121 1.00 0.00 H +TER +ATOM 23360 O WAT 7431 11.141 9.275 55.620 1.00 0.00 O +ATOM 23361 H1 WAT 7431 10.853 9.736 56.408 1.00 0.00 H +ATOM 23362 H2 WAT 7431 11.936 8.815 55.888 1.00 0.00 H +TER +ATOM 23363 O WAT 7432 3.358 12.768 55.550 1.00 0.00 O +ATOM 23364 H1 WAT 7432 3.349 13.501 54.935 1.00 0.00 H +ATOM 23365 H2 WAT 7432 2.438 12.521 55.643 1.00 0.00 H +TER +ATOM 23366 O WAT 7433 6.344 12.830 54.213 1.00 0.00 O +ATOM 23367 H1 WAT 7433 6.445 12.627 53.283 1.00 0.00 H +ATOM 23368 H2 WAT 7433 5.444 12.576 54.417 1.00 0.00 H +TER +ATOM 23369 O WAT 7434 3.867 3.388 58.195 1.00 0.00 O +ATOM 23370 H1 WAT 7434 3.158 3.857 58.636 1.00 0.00 H +ATOM 23371 H2 WAT 7434 4.151 2.731 58.830 1.00 0.00 H +TER +ATOM 23372 O WAT 7435 4.986 15.349 58.907 1.00 0.00 O +ATOM 23373 H1 WAT 7435 5.240 15.311 57.985 1.00 0.00 H +ATOM 23374 H2 WAT 7435 4.037 15.222 58.900 1.00 0.00 H +TER +ATOM 23375 O WAT 7436 10.991 6.268 60.483 1.00 0.00 O +ATOM 23376 H1 WAT 7436 10.050 6.283 60.658 1.00 0.00 H +ATOM 23377 H2 WAT 7436 11.305 5.482 60.929 1.00 0.00 H +TER +ATOM 23378 O WAT 7437 12.994 13.439 62.159 1.00 0.00 O +ATOM 23379 H1 WAT 7437 13.118 14.262 62.631 1.00 0.00 H +ATOM 23380 H2 WAT 7437 13.860 13.228 61.811 1.00 0.00 H +TER +ATOM 23381 O WAT 7438 3.576 14.705 53.653 1.00 0.00 O +ATOM 23382 H1 WAT 7438 4.368 14.994 53.201 1.00 0.00 H +ATOM 23383 H2 WAT 7438 3.056 14.274 52.974 1.00 0.00 H +TER +ATOM 23384 O WAT 7439 12.629 13.932 55.077 1.00 0.00 O +ATOM 23385 H1 WAT 7439 12.343 13.519 54.262 1.00 0.00 H +ATOM 23386 H2 WAT 7439 12.431 14.861 54.957 1.00 0.00 H +TER +ATOM 23387 O WAT 7440 4.093 9.926 53.517 1.00 0.00 O +ATOM 23388 H1 WAT 7440 3.988 9.311 54.243 1.00 0.00 H +ATOM 23389 H2 WAT 7440 3.926 9.402 52.734 1.00 0.00 H +TER +ATOM 23390 O WAT 7441 7.334 8.988 54.121 1.00 0.00 O +ATOM 23391 H1 WAT 7441 6.785 9.435 54.766 1.00 0.00 H +ATOM 23392 H2 WAT 7441 7.956 8.483 54.645 1.00 0.00 H +TER +ATOM 23393 O WAT 7442 3.001 7.947 56.018 1.00 0.00 O +ATOM 23394 H1 WAT 7442 3.423 7.781 56.861 1.00 0.00 H +ATOM 23395 H2 WAT 7442 3.126 7.137 55.523 1.00 0.00 H +TER +ATOM 23396 O WAT 7443 5.514 6.970 53.266 1.00 0.00 O +ATOM 23397 H1 WAT 7443 6.034 6.255 52.900 1.00 0.00 H +ATOM 23398 H2 WAT 7443 6.161 7.609 53.566 1.00 0.00 H +TER +ATOM 23399 O WAT 7444 6.079 15.052 55.556 1.00 0.00 O +ATOM 23400 H1 WAT 7444 6.974 15.390 55.578 1.00 0.00 H +ATOM 23401 H2 WAT 7444 6.110 14.330 54.928 1.00 0.00 H +TER +ATOM 23402 O WAT 7445 14.298 11.324 53.599 1.00 0.00 O +ATOM 23403 H1 WAT 7445 13.468 11.391 54.070 1.00 0.00 H +ATOM 23404 H2 WAT 7445 14.475 12.214 53.296 1.00 0.00 H +TER +ATOM 23405 O WAT 7446 13.754 8.069 56.103 1.00 0.00 O +ATOM 23406 H1 WAT 7446 14.516 8.638 56.209 1.00 0.00 H +ATOM 23407 H2 WAT 7446 13.769 7.501 56.874 1.00 0.00 H +TER +ATOM 23408 O WAT 7447 14.760 8.924 60.947 1.00 0.00 O +ATOM 23409 H1 WAT 7447 15.131 8.140 60.541 1.00 0.00 H +ATOM 23410 H2 WAT 7447 15.400 9.612 60.769 1.00 0.00 H +TER +ATOM 23411 O WAT 7448 13.806 8.362 53.260 1.00 0.00 O +ATOM 23412 H1 WAT 7448 14.081 9.270 53.132 1.00 0.00 H +ATOM 23413 H2 WAT 7448 13.617 8.298 54.196 1.00 0.00 H +TER +ATOM 23414 O WAT 7449 13.702 6.299 58.253 1.00 0.00 O +ATOM 23415 H1 WAT 7449 13.327 5.532 57.821 1.00 0.00 H +ATOM 23416 H2 WAT 7449 12.973 6.681 58.741 1.00 0.00 H +TER +ATOM 23417 O WAT 7450 12.977 4.525 61.554 1.00 0.00 O +ATOM 23418 H1 WAT 7450 13.501 4.031 60.923 1.00 0.00 H +ATOM 23419 H2 WAT 7450 13.563 4.660 62.299 1.00 0.00 H +TER +ATOM 23420 O WAT 7451 13.156 4.609 65.076 1.00 0.00 O +ATOM 23421 H1 WAT 7451 12.207 4.575 65.190 1.00 0.00 H +ATOM 23422 H2 WAT 7451 13.338 5.519 64.841 1.00 0.00 H +TER +ATOM 23423 O WAT 7452 12.467 3.782 57.493 1.00 0.00 O +ATOM 23424 H1 WAT 7452 12.963 3.549 58.278 1.00 0.00 H +ATOM 23425 H2 WAT 7452 12.269 2.943 57.077 1.00 0.00 H +TER +ATOM 23426 O WAT 7453 13.896 2.418 60.027 1.00 0.00 O +ATOM 23427 H1 WAT 7453 13.786 2.264 60.965 1.00 0.00 H +ATOM 23428 H2 WAT 7453 14.657 1.890 59.784 1.00 0.00 H +TER +ATOM 23429 O WAT 7454 11.801 15.059 59.887 1.00 0.00 O +ATOM 23430 H1 WAT 7454 12.397 14.738 59.210 1.00 0.00 H +ATOM 23431 H2 WAT 7454 12.059 14.586 60.678 1.00 0.00 H +TER +ATOM 23432 O WAT 7455 3.408 13.047 65.637 1.00 0.00 O +ATOM 23433 H1 WAT 7455 3.167 13.314 64.750 1.00 0.00 H +ATOM 23434 H2 WAT 7455 4.348 13.217 65.692 1.00 0.00 H +TER +ATOM 23435 O WAT 7456 12.352 15.709 63.717 1.00 0.00 O +ATOM 23436 H1 WAT 7456 11.892 16.460 63.342 1.00 0.00 H +ATOM 23437 H2 WAT 7456 11.723 14.989 63.658 1.00 0.00 H +TER +ATOM 23438 O WAT 7457 2.782 14.017 62.891 1.00 0.00 O +ATOM 23439 H1 WAT 7457 3.298 13.406 62.366 1.00 0.00 H +ATOM 23440 H2 WAT 7457 3.431 14.520 63.383 1.00 0.00 H +TER +ATOM 23441 O WAT 7458 5.521 14.908 63.718 1.00 0.00 O +ATOM 23442 H1 WAT 7458 5.809 14.654 62.842 1.00 0.00 H +ATOM 23443 H2 WAT 7458 6.034 14.356 64.309 1.00 0.00 H +TER +ATOM 23444 O WAT 7459 13.823 15.372 58.083 1.00 0.00 O +ATOM 23445 H1 WAT 7459 13.998 14.686 57.439 1.00 0.00 H +ATOM 23446 H2 WAT 7459 13.125 15.897 57.690 1.00 0.00 H +TER +ATOM 23447 O WAT 7460 8.282 5.929 41.791 1.00 0.00 O +ATOM 23448 H1 WAT 7460 8.202 5.014 41.520 1.00 0.00 H +ATOM 23449 H2 WAT 7460 7.869 6.426 41.085 1.00 0.00 H +TER +ATOM 23450 O WAT 7461 6.414 7.707 43.672 1.00 0.00 O +ATOM 23451 H1 WAT 7461 5.638 7.227 43.962 1.00 0.00 H +ATOM 23452 H2 WAT 7461 7.065 7.027 43.497 1.00 0.00 H +TER +ATOM 23453 O WAT 7462 10.435 12.113 42.452 1.00 0.00 O +ATOM 23454 H1 WAT 7462 9.973 11.342 42.780 1.00 0.00 H +ATOM 23455 H2 WAT 7462 11.247 12.139 42.957 1.00 0.00 H +TER +ATOM 23456 O WAT 7463 6.661 14.399 42.072 1.00 0.00 O +ATOM 23457 H1 WAT 7463 6.042 14.854 41.502 1.00 0.00 H +ATOM 23458 H2 WAT 7463 7.516 14.554 41.671 1.00 0.00 H +TER +ATOM 23459 O WAT 7464 5.855 10.383 43.679 1.00 0.00 O +ATOM 23460 H1 WAT 7464 5.786 9.442 43.518 1.00 0.00 H +ATOM 23461 H2 WAT 7464 6.617 10.473 44.251 1.00 0.00 H +TER +ATOM 23462 O WAT 7465 6.885 3.190 43.906 1.00 0.00 O +ATOM 23463 H1 WAT 7465 7.262 2.317 43.793 1.00 0.00 H +ATOM 23464 H2 WAT 7465 6.787 3.525 43.015 1.00 0.00 H +TER +ATOM 23465 O WAT 7466 2.857 4.531 43.700 1.00 0.00 O +ATOM 23466 H1 WAT 7466 3.365 5.029 44.341 1.00 0.00 H +ATOM 23467 H2 WAT 7466 3.388 3.754 43.524 1.00 0.00 H +TER +ATOM 23468 O WAT 7467 14.958 2.701 47.403 1.00 0.00 O +ATOM 23469 H1 WAT 7467 14.253 3.089 46.884 1.00 0.00 H +ATOM 23470 H2 WAT 7467 15.224 3.396 48.005 1.00 0.00 H +TER +ATOM 23471 O WAT 7468 7.527 9.283 39.465 1.00 0.00 O +ATOM 23472 H1 WAT 7468 6.909 9.748 38.902 1.00 0.00 H +ATOM 23473 H2 WAT 7468 8.040 9.975 39.882 1.00 0.00 H +TER +ATOM 23474 O WAT 7469 2.391 8.810 46.144 1.00 0.00 O +ATOM 23475 H1 WAT 7469 2.058 9.437 46.786 1.00 0.00 H +ATOM 23476 H2 WAT 7469 2.567 9.336 45.364 1.00 0.00 H +TER +ATOM 23477 O WAT 7470 10.904 2.625 43.611 1.00 0.00 O +ATOM 23478 H1 WAT 7470 10.200 2.913 44.192 1.00 0.00 H +ATOM 23479 H2 WAT 7470 11.265 3.435 43.251 1.00 0.00 H +TER +ATOM 23480 O WAT 7471 12.520 12.242 45.874 1.00 0.00 O +ATOM 23481 H1 WAT 7471 11.837 12.912 45.866 1.00 0.00 H +ATOM 23482 H2 WAT 7471 13.060 12.440 45.109 1.00 0.00 H +TER +ATOM 23483 O WAT 7472 13.973 2.070 44.002 1.00 0.00 O +ATOM 23484 H1 WAT 7472 13.025 2.104 44.134 1.00 0.00 H +ATOM 23485 H2 WAT 7472 14.298 2.884 44.387 1.00 0.00 H +TER +ATOM 23486 O WAT 7473 10.056 14.087 44.589 1.00 0.00 O +ATOM 23487 H1 WAT 7473 10.069 13.683 43.721 1.00 0.00 H +ATOM 23488 H2 WAT 7473 9.504 14.861 44.485 1.00 0.00 H +TER +ATOM 23489 O WAT 7474 11.351 10.808 39.678 1.00 0.00 O +ATOM 23490 H1 WAT 7474 11.240 9.866 39.803 1.00 0.00 H +ATOM 23491 H2 WAT 7474 11.347 11.170 40.564 1.00 0.00 H +TER +ATOM 23492 O WAT 7475 9.455 8.990 45.917 1.00 0.00 O +ATOM 23493 H1 WAT 7475 9.872 8.776 45.082 1.00 0.00 H +ATOM 23494 H2 WAT 7475 10.179 9.247 46.488 1.00 0.00 H +TER +ATOM 23495 O WAT 7476 6.893 6.435 39.034 1.00 0.00 O +ATOM 23496 H1 WAT 7476 5.966 6.368 39.263 1.00 0.00 H +ATOM 23497 H2 WAT 7476 7.045 7.373 38.919 1.00 0.00 H +TER +ATOM 23498 O WAT 7477 6.880 2.706 36.031 1.00 0.00 O +ATOM 23499 H1 WAT 7477 5.940 2.868 36.116 1.00 0.00 H +ATOM 23500 H2 WAT 7477 7.198 3.425 35.484 1.00 0.00 H +TER +ATOM 23501 O WAT 7478 13.401 7.388 46.008 1.00 0.00 O +ATOM 23502 H1 WAT 7478 12.573 7.458 45.534 1.00 0.00 H +ATOM 23503 H2 WAT 7478 13.996 7.974 45.540 1.00 0.00 H +TER +ATOM 23504 O WAT 7479 10.922 7.997 39.537 1.00 0.00 O +ATOM 23505 H1 WAT 7479 10.304 7.659 38.890 1.00 0.00 H +ATOM 23506 H2 WAT 7479 10.905 7.353 40.245 1.00 0.00 H +TER +ATOM 23507 O WAT 7480 10.365 4.175 46.954 1.00 0.00 O +ATOM 23508 H1 WAT 7480 9.952 5.001 47.208 1.00 0.00 H +ATOM 23509 H2 WAT 7480 9.633 3.590 46.762 1.00 0.00 H +TER +ATOM 23510 O WAT 7481 2.498 6.961 41.816 1.00 0.00 O +ATOM 23511 H1 WAT 7481 2.094 6.249 41.320 1.00 0.00 H +ATOM 23512 H2 WAT 7481 2.585 6.617 42.705 1.00 0.00 H +TER +ATOM 23513 O WAT 7482 2.967 10.648 43.980 1.00 0.00 O +ATOM 23514 H1 WAT 7482 2.669 10.043 43.301 1.00 0.00 H +ATOM 23515 H2 WAT 7482 3.917 10.686 43.869 1.00 0.00 H +TER +ATOM 23516 O WAT 7483 11.055 14.221 47.642 1.00 0.00 O +ATOM 23517 H1 WAT 7483 10.578 15.028 47.449 1.00 0.00 H +ATOM 23518 H2 WAT 7483 10.371 13.569 47.795 1.00 0.00 H +TER +ATOM 23519 O WAT 7484 9.099 7.235 36.545 1.00 0.00 O +ATOM 23520 H1 WAT 7484 9.538 6.398 36.398 1.00 0.00 H +ATOM 23521 H2 WAT 7484 9.812 7.868 36.631 1.00 0.00 H +TER +ATOM 23522 O WAT 7485 7.208 12.175 40.513 1.00 0.00 O +ATOM 23523 H1 WAT 7485 7.648 12.918 40.098 1.00 0.00 H +ATOM 23524 H2 WAT 7485 7.147 12.418 41.437 1.00 0.00 H +TER +ATOM 23525 O WAT 7486 2.684 13.200 51.415 1.00 0.00 O +ATOM 23526 H1 WAT 7486 2.655 13.604 50.548 1.00 0.00 H +ATOM 23527 H2 WAT 7486 2.520 12.271 51.252 1.00 0.00 H +TER +ATOM 23528 O WAT 7487 14.635 13.982 52.711 1.00 0.00 O +ATOM 23529 H1 WAT 7487 15.111 14.461 53.390 1.00 0.00 H +ATOM 23530 H2 WAT 7487 15.256 13.914 51.986 1.00 0.00 H +TER +ATOM 23531 O WAT 7488 14.038 11.174 49.871 1.00 0.00 O +ATOM 23532 H1 WAT 7488 14.165 10.935 48.953 1.00 0.00 H +ATOM 23533 H2 WAT 7488 14.080 10.342 50.343 1.00 0.00 H +TER +ATOM 23534 O WAT 7489 7.900 14.876 48.441 1.00 0.00 O +ATOM 23535 H1 WAT 7489 8.414 14.787 49.243 1.00 0.00 H +ATOM 23536 H2 WAT 7489 7.057 15.222 48.733 1.00 0.00 H +TER +ATOM 23537 O WAT 7490 9.875 15.162 37.869 1.00 0.00 O +ATOM 23538 H1 WAT 7490 9.716 14.872 38.767 1.00 0.00 H +ATOM 23539 H2 WAT 7490 9.710 14.386 37.334 1.00 0.00 H +TER +ATOM 23540 O WAT 7491 9.578 12.671 36.429 1.00 0.00 O +ATOM 23541 H1 WAT 7491 8.885 12.668 35.769 1.00 0.00 H +ATOM 23542 H2 WAT 7491 10.320 12.247 35.998 1.00 0.00 H +TER +ATOM 23543 O WAT 7492 9.143 14.297 40.504 1.00 0.00 O +ATOM 23544 H1 WAT 7492 9.599 13.516 40.818 1.00 0.00 H +ATOM 23545 H2 WAT 7492 9.482 15.008 41.048 1.00 0.00 H +TER +ATOM 23546 O WAT 7493 13.891 3.227 50.836 1.00 0.00 O +ATOM 23547 H1 WAT 7493 13.275 3.735 50.308 1.00 0.00 H +ATOM 23548 H2 WAT 7493 13.570 2.327 50.779 1.00 0.00 H +TER +ATOM 23549 O WAT 7494 10.953 3.287 49.432 1.00 0.00 O +ATOM 23550 H1 WAT 7494 10.102 2.988 49.753 1.00 0.00 H +ATOM 23551 H2 WAT 7494 10.793 3.531 48.520 1.00 0.00 H +TER +ATOM 23552 O WAT 7495 8.048 4.787 51.532 1.00 0.00 O +ATOM 23553 H1 WAT 7495 8.373 3.954 51.192 1.00 0.00 H +ATOM 23554 H2 WAT 7495 8.836 5.310 51.680 1.00 0.00 H +TER +ATOM 23555 O WAT 7496 8.686 4.329 39.026 1.00 0.00 O +ATOM 23556 H1 WAT 7496 8.087 5.053 38.842 1.00 0.00 H +ATOM 23557 H2 WAT 7496 9.234 4.267 38.244 1.00 0.00 H +TER +ATOM 23558 O WAT 7497 3.897 5.221 51.093 1.00 0.00 O +ATOM 23559 H1 WAT 7497 3.801 4.281 50.943 1.00 0.00 H +ATOM 23560 H2 WAT 7497 4.740 5.443 50.698 1.00 0.00 H +TER +ATOM 23561 O WAT 7498 7.293 2.965 41.056 1.00 0.00 O +ATOM 23562 H1 WAT 7498 7.686 3.283 40.243 1.00 0.00 H +ATOM 23563 H2 WAT 7498 7.655 2.086 41.171 1.00 0.00 H +TER +ATOM 23564 O WAT 7499 7.878 5.556 45.151 1.00 0.00 O +ATOM 23565 H1 WAT 7499 7.147 6.065 45.500 1.00 0.00 H +ATOM 23566 H2 WAT 7499 7.481 4.739 44.850 1.00 0.00 H +TER +ATOM 23567 O WAT 7500 4.378 3.232 36.547 1.00 0.00 O +ATOM 23568 H1 WAT 7500 4.499 3.191 37.496 1.00 0.00 H +ATOM 23569 H2 WAT 7500 3.993 4.095 36.392 1.00 0.00 H +TER +ATOM 23570 O WAT 7501 3.390 5.543 35.946 1.00 0.00 O +ATOM 23571 H1 WAT 7501 2.822 5.094 35.319 1.00 0.00 H +ATOM 23572 H2 WAT 7501 4.099 5.902 35.412 1.00 0.00 H +TER +ATOM 23573 O WAT 7502 4.617 6.291 45.303 1.00 0.00 O +ATOM 23574 H1 WAT 7502 4.984 5.817 46.049 1.00 0.00 H +ATOM 23575 H2 WAT 7502 4.427 7.166 45.644 1.00 0.00 H +TER +ATOM 23576 O WAT 7503 2.407 5.332 47.622 1.00 0.00 O +ATOM 23577 H1 WAT 7503 2.103 6.212 47.847 1.00 0.00 H +ATOM 23578 H2 WAT 7503 3.362 5.392 47.657 1.00 0.00 H +TER +ATOM 23579 O WAT 7504 11.694 8.535 44.011 1.00 0.00 O +ATOM 23580 H1 WAT 7504 12.414 9.030 43.621 1.00 0.00 H +ATOM 23581 H2 WAT 7504 11.492 7.857 43.366 1.00 0.00 H +TER +ATOM 23582 O WAT 7505 7.076 8.606 49.898 1.00 0.00 O +ATOM 23583 H1 WAT 7505 7.009 7.685 49.644 1.00 0.00 H +ATOM 23584 H2 WAT 7505 6.446 8.703 50.612 1.00 0.00 H +TER +ATOM 23585 O WAT 7506 9.870 4.301 36.450 1.00 0.00 O +ATOM 23586 H1 WAT 7506 10.758 4.612 36.275 1.00 0.00 H +ATOM 23587 H2 WAT 7506 9.840 3.428 36.058 1.00 0.00 H +TER +ATOM 23588 O WAT 7507 5.866 10.473 37.129 1.00 0.00 O +ATOM 23589 H1 WAT 7507 6.207 11.217 36.633 1.00 0.00 H +ATOM 23590 H2 WAT 7507 5.037 10.786 37.491 1.00 0.00 H +TER +ATOM 23591 O WAT 7508 7.007 11.428 49.648 1.00 0.00 O +ATOM 23592 H1 WAT 7508 7.022 10.496 49.430 1.00 0.00 H +ATOM 23593 H2 WAT 7508 6.300 11.514 50.287 1.00 0.00 H +TER +ATOM 23594 O WAT 7509 12.141 5.612 35.918 1.00 0.00 O +ATOM 23595 H1 WAT 7509 12.057 6.043 35.068 1.00 0.00 H +ATOM 23596 H2 WAT 7509 12.861 6.072 36.351 1.00 0.00 H +TER +ATOM 23597 O WAT 7510 13.219 8.069 48.995 1.00 0.00 O +ATOM 23598 H1 WAT 7510 12.493 8.662 48.798 1.00 0.00 H +ATOM 23599 H2 WAT 7510 13.746 8.061 48.196 1.00 0.00 H +TER +ATOM 23600 O WAT 7511 13.170 12.466 38.646 1.00 0.00 O +ATOM 23601 H1 WAT 7511 12.527 11.812 38.921 1.00 0.00 H +ATOM 23602 H2 WAT 7511 12.783 12.872 37.870 1.00 0.00 H +TER +ATOM 23603 O WAT 7512 8.748 9.795 42.494 1.00 0.00 O +ATOM 23604 H1 WAT 7512 9.101 9.197 41.834 1.00 0.00 H +ATOM 23605 H2 WAT 7512 7.865 9.469 42.664 1.00 0.00 H +TER +ATOM 23606 O WAT 7513 4.835 10.554 39.901 1.00 0.00 O +ATOM 23607 H1 WAT 7513 5.522 11.101 40.281 1.00 0.00 H +ATOM 23608 H2 WAT 7513 4.048 11.099 39.936 1.00 0.00 H +TER +ATOM 23609 O WAT 7514 4.138 7.559 39.513 1.00 0.00 O +ATOM 23610 H1 WAT 7514 4.594 8.370 39.739 1.00 0.00 H +ATOM 23611 H2 WAT 7514 3.786 7.241 40.345 1.00 0.00 H +TER +ATOM 23612 O WAT 7515 6.441 13.070 46.742 1.00 0.00 O +ATOM 23613 H1 WAT 7515 7.085 13.276 47.420 1.00 0.00 H +ATOM 23614 H2 WAT 7515 6.804 12.309 46.289 1.00 0.00 H +TER +ATOM 23615 O WAT 7516 7.714 11.073 45.460 1.00 0.00 O +ATOM 23616 H1 WAT 7516 8.356 10.372 45.573 1.00 0.00 H +ATOM 23617 H2 WAT 7516 8.239 11.853 45.280 1.00 0.00 H +TER +ATOM 23618 O WAT 7517 11.560 11.358 35.184 1.00 0.00 O +ATOM 23619 H1 WAT 7517 11.333 10.641 35.776 1.00 0.00 H +ATOM 23620 H2 WAT 7517 11.169 11.109 34.346 1.00 0.00 H +TER +ATOM 23621 O WAT 7518 9.488 11.872 48.664 1.00 0.00 O +ATOM 23622 H1 WAT 7518 9.823 12.459 49.341 1.00 0.00 H +ATOM 23623 H2 WAT 7518 8.568 11.742 48.893 1.00 0.00 H +TER +ATOM 23624 O WAT 7519 11.141 9.275 36.845 1.00 0.00 O +ATOM 23625 H1 WAT 7519 10.853 9.736 37.633 1.00 0.00 H +ATOM 23626 H2 WAT 7519 11.936 8.815 37.114 1.00 0.00 H +TER +ATOM 23627 O WAT 7520 5.317 11.922 51.832 1.00 0.00 O +ATOM 23628 H1 WAT 7520 4.996 11.202 52.377 1.00 0.00 H +ATOM 23629 H2 WAT 7520 4.642 12.597 51.906 1.00 0.00 H +TER +ATOM 23630 O WAT 7521 3.358 12.768 36.776 1.00 0.00 O +ATOM 23631 H1 WAT 7521 3.349 13.501 36.160 1.00 0.00 H +ATOM 23632 H2 WAT 7521 2.438 12.521 36.869 1.00 0.00 H +TER +ATOM 23633 O WAT 7522 6.344 12.830 35.438 1.00 0.00 O +ATOM 23634 H1 WAT 7522 6.445 12.627 34.509 1.00 0.00 H +ATOM 23635 H2 WAT 7522 5.444 12.576 35.643 1.00 0.00 H +TER +ATOM 23636 O WAT 7523 3.867 3.388 39.421 1.00 0.00 O +ATOM 23637 H1 WAT 7523 3.158 3.857 39.862 1.00 0.00 H +ATOM 23638 H2 WAT 7523 4.151 2.731 40.055 1.00 0.00 H +TER +ATOM 23639 O WAT 7524 5.492 4.808 47.420 1.00 0.00 O +ATOM 23640 H1 WAT 7524 5.991 5.283 48.085 1.00 0.00 H +ATOM 23641 H2 WAT 7524 5.634 3.884 47.627 1.00 0.00 H +TER +ATOM 23642 O WAT 7525 4.986 15.349 40.133 1.00 0.00 O +ATOM 23643 H1 WAT 7525 5.240 15.311 39.211 1.00 0.00 H +ATOM 23644 H2 WAT 7525 4.037 15.222 40.126 1.00 0.00 H +TER +ATOM 23645 O WAT 7526 10.991 6.268 41.709 1.00 0.00 O +ATOM 23646 H1 WAT 7526 10.050 6.283 41.884 1.00 0.00 H +ATOM 23647 H2 WAT 7526 11.305 5.482 42.155 1.00 0.00 H +TER +ATOM 23648 O WAT 7527 12.994 13.439 43.384 1.00 0.00 O +ATOM 23649 H1 WAT 7527 13.118 14.262 43.857 1.00 0.00 H +ATOM 23650 H2 WAT 7527 13.860 13.228 43.037 1.00 0.00 H +TER +ATOM 23651 O WAT 7528 3.576 14.705 34.879 1.00 0.00 O +ATOM 23652 H1 WAT 7528 4.368 14.994 34.427 1.00 0.00 H +ATOM 23653 H2 WAT 7528 3.056 14.274 34.200 1.00 0.00 H +TER +ATOM 23654 O WAT 7529 8.308 10.825 52.192 1.00 0.00 O +ATOM 23655 H1 WAT 7529 7.701 10.848 51.452 1.00 0.00 H +ATOM 23656 H2 WAT 7529 8.003 10.093 52.729 1.00 0.00 H +TER +ATOM 23657 O WAT 7530 9.738 14.553 50.803 1.00 0.00 O +ATOM 23658 H1 WAT 7530 10.690 14.469 50.753 1.00 0.00 H +ATOM 23659 H2 WAT 7530 9.591 15.217 51.477 1.00 0.00 H +TER +ATOM 23660 O WAT 7531 12.629 13.932 36.302 1.00 0.00 O +ATOM 23661 H1 WAT 7531 12.343 13.519 35.488 1.00 0.00 H +ATOM 23662 H2 WAT 7531 12.431 14.861 36.182 1.00 0.00 H +TER +ATOM 23663 O WAT 7532 4.093 9.926 34.743 1.00 0.00 O +ATOM 23664 H1 WAT 7532 3.988 9.311 35.469 1.00 0.00 H +ATOM 23665 H2 WAT 7532 3.926 9.402 33.959 1.00 0.00 H +TER +ATOM 23666 O WAT 7533 4.245 8.611 50.722 1.00 0.00 O +ATOM 23667 H1 WAT 7533 3.479 9.180 50.637 1.00 0.00 H +ATOM 23668 H2 WAT 7533 4.426 8.319 49.829 1.00 0.00 H +TER +ATOM 23669 O WAT 7534 7.334 8.988 35.347 1.00 0.00 O +ATOM 23670 H1 WAT 7534 6.785 9.435 35.991 1.00 0.00 H +ATOM 23671 H2 WAT 7534 7.956 8.483 35.871 1.00 0.00 H +TER +ATOM 23672 O WAT 7535 11.387 10.342 51.279 1.00 0.00 O +ATOM 23673 H1 WAT 7535 12.128 10.679 50.776 1.00 0.00 H +ATOM 23674 H2 WAT 7535 10.624 10.511 50.726 1.00 0.00 H +TER +ATOM 23675 O WAT 7536 3.001 7.947 37.244 1.00 0.00 O +ATOM 23676 H1 WAT 7536 3.423 7.781 38.087 1.00 0.00 H +ATOM 23677 H2 WAT 7536 3.126 7.137 36.749 1.00 0.00 H +TER +ATOM 23678 O WAT 7537 5.514 6.970 34.491 1.00 0.00 O +ATOM 23679 H1 WAT 7537 6.034 6.255 34.125 1.00 0.00 H +ATOM 23680 H2 WAT 7537 6.161 7.609 34.791 1.00 0.00 H +TER +ATOM 23681 O WAT 7538 10.062 8.393 49.815 1.00 0.00 O +ATOM 23682 H1 WAT 7538 10.476 8.548 50.664 1.00 0.00 H +ATOM 23683 H2 WAT 7538 9.127 8.519 49.977 1.00 0.00 H +TER +ATOM 23684 O WAT 7539 10.534 5.733 51.819 1.00 0.00 O +ATOM 23685 H1 WAT 7539 11.116 4.978 51.731 1.00 0.00 H +ATOM 23686 H2 WAT 7539 10.710 6.264 51.042 1.00 0.00 H +TER +ATOM 23687 O WAT 7540 4.823 8.345 47.784 1.00 0.00 O +ATOM 23688 H1 WAT 7540 5.242 9.189 47.612 1.00 0.00 H +ATOM 23689 H2 WAT 7540 3.904 8.483 47.555 1.00 0.00 H +TER +ATOM 23690 O WAT 7541 7.160 6.077 49.168 1.00 0.00 O +ATOM 23691 H1 WAT 7541 7.279 5.481 49.908 1.00 0.00 H +ATOM 23692 H2 WAT 7541 8.019 6.114 48.748 1.00 0.00 H +TER +ATOM 23693 O WAT 7542 9.498 6.631 47.744 1.00 0.00 O +ATOM 23694 H1 WAT 7542 8.972 7.155 47.141 1.00 0.00 H +ATOM 23695 H2 WAT 7542 9.842 7.263 48.375 1.00 0.00 H +TER +ATOM 23696 O WAT 7543 2.674 14.651 48.900 1.00 0.00 O +ATOM 23697 H1 WAT 7543 2.136 15.375 48.581 1.00 0.00 H +ATOM 23698 H2 WAT 7543 2.927 14.174 48.110 1.00 0.00 H +TER +ATOM 23699 O WAT 7544 3.926 2.619 50.426 1.00 0.00 O +ATOM 23700 H1 WAT 7544 4.516 2.311 51.114 1.00 0.00 H +ATOM 23701 H2 WAT 7544 3.108 2.147 50.582 1.00 0.00 H +TER +ATOM 23702 O WAT 7545 5.530 15.886 49.159 1.00 0.00 O +ATOM 23703 H1 WAT 7545 5.456 16.789 49.466 1.00 0.00 H +ATOM 23704 H2 WAT 7545 4.628 15.567 49.131 1.00 0.00 H +TER +ATOM 23705 O WAT 7546 6.079 15.052 36.781 1.00 0.00 O +ATOM 23706 H1 WAT 7546 6.974 15.390 36.803 1.00 0.00 H +ATOM 23707 H2 WAT 7546 6.110 14.330 36.154 1.00 0.00 H +TER +ATOM 23708 O WAT 7547 13.058 13.582 49.488 1.00 0.00 O +ATOM 23709 H1 WAT 7547 12.458 13.641 48.745 1.00 0.00 H +ATOM 23710 H2 WAT 7547 13.188 12.642 49.618 1.00 0.00 H +TER +ATOM 23711 O WAT 7548 14.298 11.324 34.825 1.00 0.00 O +ATOM 23712 H1 WAT 7548 13.468 11.391 35.296 1.00 0.00 H +ATOM 23713 H2 WAT 7548 14.475 12.214 34.522 1.00 0.00 H +TER +ATOM 23714 O WAT 7549 13.754 8.069 37.328 1.00 0.00 O +ATOM 23715 H1 WAT 7549 14.516 8.638 37.434 1.00 0.00 H +ATOM 23716 H2 WAT 7549 13.769 7.501 38.099 1.00 0.00 H +TER +ATOM 23717 O WAT 7550 14.760 8.924 42.173 1.00 0.00 O +ATOM 23718 H1 WAT 7550 15.131 8.140 41.766 1.00 0.00 H +ATOM 23719 H2 WAT 7550 15.400 9.612 41.994 1.00 0.00 H +TER +ATOM 23720 O WAT 7551 11.743 10.307 47.586 1.00 0.00 O +ATOM 23721 H1 WAT 7551 10.929 10.737 47.848 1.00 0.00 H +ATOM 23722 H2 WAT 7551 12.151 10.919 46.973 1.00 0.00 H +TER +ATOM 23723 O WAT 7552 13.806 8.362 34.486 1.00 0.00 O +ATOM 23724 H1 WAT 7552 14.081 9.270 34.358 1.00 0.00 H +ATOM 23725 H2 WAT 7552 13.617 8.298 35.422 1.00 0.00 H +TER +ATOM 23726 O WAT 7553 13.702 6.299 39.479 1.00 0.00 O +ATOM 23727 H1 WAT 7553 13.327 5.532 39.047 1.00 0.00 H +ATOM 23728 H2 WAT 7553 12.973 6.681 39.966 1.00 0.00 H +TER +ATOM 23729 O WAT 7554 13.092 5.446 49.113 1.00 0.00 O +ATOM 23730 H1 WAT 7554 12.861 5.217 48.212 1.00 0.00 H +ATOM 23731 H2 WAT 7554 13.353 6.366 49.067 1.00 0.00 H +TER +ATOM 23732 O WAT 7555 12.977 4.525 42.779 1.00 0.00 O +ATOM 23733 H1 WAT 7555 13.501 4.031 42.148 1.00 0.00 H +ATOM 23734 H2 WAT 7555 13.563 4.660 43.524 1.00 0.00 H +TER +ATOM 23735 O WAT 7556 13.156 4.609 46.301 1.00 0.00 O +ATOM 23736 H1 WAT 7556 12.207 4.575 46.416 1.00 0.00 H +ATOM 23737 H2 WAT 7556 13.338 5.519 46.066 1.00 0.00 H +TER +ATOM 23738 O WAT 7557 12.467 3.782 38.719 1.00 0.00 O +ATOM 23739 H1 WAT 7557 12.963 3.549 39.504 1.00 0.00 H +ATOM 23740 H2 WAT 7557 12.269 2.943 38.302 1.00 0.00 H +TER +ATOM 23741 O WAT 7558 13.896 2.418 41.252 1.00 0.00 O +ATOM 23742 H1 WAT 7558 13.786 2.264 42.191 1.00 0.00 H +ATOM 23743 H2 WAT 7558 14.657 1.890 41.010 1.00 0.00 H +TER +ATOM 23744 O WAT 7559 11.801 15.059 41.113 1.00 0.00 O +ATOM 23745 H1 WAT 7559 12.397 14.738 40.436 1.00 0.00 H +ATOM 23746 H2 WAT 7559 12.059 14.586 41.904 1.00 0.00 H +TER +ATOM 23747 O WAT 7560 3.408 13.047 46.863 1.00 0.00 O +ATOM 23748 H1 WAT 7560 3.167 13.314 45.976 1.00 0.00 H +ATOM 23749 H2 WAT 7560 4.348 13.217 46.918 1.00 0.00 H +TER +ATOM 23750 O WAT 7561 14.668 15.066 47.664 1.00 0.00 O +ATOM 23751 H1 WAT 7561 14.174 15.463 46.946 1.00 0.00 H +ATOM 23752 H2 WAT 7561 14.059 14.441 48.057 1.00 0.00 H +TER +ATOM 23753 O WAT 7562 12.352 15.709 44.942 1.00 0.00 O +ATOM 23754 H1 WAT 7562 11.892 16.460 44.568 1.00 0.00 H +ATOM 23755 H2 WAT 7562 11.723 14.989 44.884 1.00 0.00 H +TER +ATOM 23756 O WAT 7563 2.782 14.017 44.117 1.00 0.00 O +ATOM 23757 H1 WAT 7563 3.298 13.406 43.592 1.00 0.00 H +ATOM 23758 H2 WAT 7563 3.431 14.520 44.608 1.00 0.00 H +TER +ATOM 23759 O WAT 7564 5.521 14.908 44.944 1.00 0.00 O +ATOM 23760 H1 WAT 7564 5.809 14.654 44.067 1.00 0.00 H +ATOM 23761 H2 WAT 7564 6.034 14.356 45.535 1.00 0.00 H +TER +ATOM 23762 O WAT 7565 5.588 15.830 52.311 1.00 0.00 O +ATOM 23763 H1 WAT 7565 6.515 15.594 52.354 1.00 0.00 H +ATOM 23764 H2 WAT 7565 5.574 16.657 51.829 1.00 0.00 H +TER +ATOM 23765 O WAT 7566 13.823 15.372 39.308 1.00 0.00 O +ATOM 23766 H1 WAT 7566 13.998 14.686 38.664 1.00 0.00 H +ATOM 23767 H2 WAT 7566 13.125 15.897 38.916 1.00 0.00 H +TER +ATOM 23768 O WAT 7567 12.156 15.057 52.135 1.00 0.00 O +ATOM 23769 H1 WAT 7567 12.949 14.562 51.928 1.00 0.00 H +ATOM 23770 H2 WAT 7567 12.450 15.736 52.743 1.00 0.00 H +TER +ATOM 23771 O WAT 7568 8.282 5.929 23.017 1.00 0.00 O +ATOM 23772 H1 WAT 7568 8.202 5.014 22.746 1.00 0.00 H +ATOM 23773 H2 WAT 7568 7.869 6.426 22.311 1.00 0.00 H +TER +ATOM 23774 O WAT 7569 6.414 7.707 24.897 1.00 0.00 O +ATOM 23775 H1 WAT 7569 5.638 7.227 25.187 1.00 0.00 H +ATOM 23776 H2 WAT 7569 7.065 7.027 24.723 1.00 0.00 H +TER +ATOM 23777 O WAT 7570 10.435 12.113 23.677 1.00 0.00 O +ATOM 23778 H1 WAT 7570 9.973 11.342 24.006 1.00 0.00 H +ATOM 23779 H2 WAT 7570 11.247 12.139 24.183 1.00 0.00 H +TER +ATOM 23780 O WAT 7571 6.661 14.399 23.298 1.00 0.00 O +ATOM 23781 H1 WAT 7571 6.042 14.854 22.727 1.00 0.00 H +ATOM 23782 H2 WAT 7571 7.516 14.554 22.897 1.00 0.00 H +TER +ATOM 23783 O WAT 7572 5.855 10.383 24.905 1.00 0.00 O +ATOM 23784 H1 WAT 7572 5.786 9.442 24.743 1.00 0.00 H +ATOM 23785 H2 WAT 7572 6.617 10.473 25.477 1.00 0.00 H +TER +ATOM 23786 O WAT 7573 6.885 3.190 25.131 1.00 0.00 O +ATOM 23787 H1 WAT 7573 7.262 2.317 25.019 1.00 0.00 H +ATOM 23788 H2 WAT 7573 6.787 3.525 24.240 1.00 0.00 H +TER +ATOM 23789 O WAT 7574 2.857 4.531 24.926 1.00 0.00 O +ATOM 23790 H1 WAT 7574 3.365 5.029 25.566 1.00 0.00 H +ATOM 23791 H2 WAT 7574 3.388 3.754 24.750 1.00 0.00 H +TER +ATOM 23792 O WAT 7575 14.958 2.701 28.629 1.00 0.00 O +ATOM 23793 H1 WAT 7575 14.253 3.089 28.110 1.00 0.00 H +ATOM 23794 H2 WAT 7575 15.224 3.396 29.231 1.00 0.00 H +TER +ATOM 23795 O WAT 7576 7.527 9.283 20.691 1.00 0.00 O +ATOM 23796 H1 WAT 7576 6.909 9.748 20.127 1.00 0.00 H +ATOM 23797 H2 WAT 7576 8.040 9.975 21.108 1.00 0.00 H +TER +ATOM 23798 O WAT 7577 2.391 8.810 27.369 1.00 0.00 O +ATOM 23799 H1 WAT 7577 2.058 9.437 28.011 1.00 0.00 H +ATOM 23800 H2 WAT 7577 2.567 9.336 26.590 1.00 0.00 H +TER +ATOM 23801 O WAT 7578 10.904 2.625 24.837 1.00 0.00 O +ATOM 23802 H1 WAT 7578 10.200 2.913 25.417 1.00 0.00 H +ATOM 23803 H2 WAT 7578 11.265 3.435 24.477 1.00 0.00 H +TER +ATOM 23804 O WAT 7579 12.520 12.242 27.100 1.00 0.00 O +ATOM 23805 H1 WAT 7579 11.837 12.912 27.091 1.00 0.00 H +ATOM 23806 H2 WAT 7579 13.060 12.440 26.334 1.00 0.00 H +TER +ATOM 23807 O WAT 7580 13.973 2.070 25.228 1.00 0.00 O +ATOM 23808 H1 WAT 7580 13.025 2.104 25.359 1.00 0.00 H +ATOM 23809 H2 WAT 7580 14.298 2.884 25.613 1.00 0.00 H +TER +ATOM 23810 O WAT 7581 10.056 14.087 25.814 1.00 0.00 O +ATOM 23811 H1 WAT 7581 10.069 13.683 24.946 1.00 0.00 H +ATOM 23812 H2 WAT 7581 9.504 14.861 25.710 1.00 0.00 H +TER +ATOM 23813 O WAT 7582 11.351 10.808 20.903 1.00 0.00 O +ATOM 23814 H1 WAT 7582 11.240 9.866 21.028 1.00 0.00 H +ATOM 23815 H2 WAT 7582 11.347 11.170 21.790 1.00 0.00 H +TER +ATOM 23816 O WAT 7583 9.455 8.990 27.143 1.00 0.00 O +ATOM 23817 H1 WAT 7583 9.872 8.776 26.308 1.00 0.00 H +ATOM 23818 H2 WAT 7583 10.179 9.247 27.713 1.00 0.00 H +TER +ATOM 23819 O WAT 7584 6.893 6.435 20.260 1.00 0.00 O +ATOM 23820 H1 WAT 7584 5.966 6.368 20.488 1.00 0.00 H +ATOM 23821 H2 WAT 7584 7.045 7.373 20.145 1.00 0.00 H +TER +ATOM 23822 O WAT 7585 6.880 2.706 17.256 1.00 0.00 O +ATOM 23823 H1 WAT 7585 5.940 2.868 17.341 1.00 0.00 H +ATOM 23824 H2 WAT 7585 7.198 3.425 16.710 1.00 0.00 H +TER +ATOM 23825 O WAT 7586 13.401 7.388 27.234 1.00 0.00 O +ATOM 23826 H1 WAT 7586 12.573 7.458 26.759 1.00 0.00 H +ATOM 23827 H2 WAT 7586 13.996 7.974 26.766 1.00 0.00 H +TER +ATOM 23828 O WAT 7587 10.922 7.997 20.763 1.00 0.00 O +ATOM 23829 H1 WAT 7587 10.304 7.659 20.116 1.00 0.00 H +ATOM 23830 H2 WAT 7587 10.905 7.353 21.471 1.00 0.00 H +TER +ATOM 23831 O WAT 7588 10.365 4.175 28.180 1.00 0.00 O +ATOM 23832 H1 WAT 7588 9.952 5.001 28.434 1.00 0.00 H +ATOM 23833 H2 WAT 7588 9.633 3.590 27.987 1.00 0.00 H +TER +ATOM 23834 O WAT 7589 2.498 6.961 23.041 1.00 0.00 O +ATOM 23835 H1 WAT 7589 2.094 6.249 22.546 1.00 0.00 H +ATOM 23836 H2 WAT 7589 2.585 6.617 23.930 1.00 0.00 H +TER +ATOM 23837 O WAT 7590 2.967 10.648 25.205 1.00 0.00 O +ATOM 23838 H1 WAT 7590 2.669 10.043 24.526 1.00 0.00 H +ATOM 23839 H2 WAT 7590 3.917 10.686 25.094 1.00 0.00 H +TER +ATOM 23840 O WAT 7591 11.055 14.221 28.868 1.00 0.00 O +ATOM 23841 H1 WAT 7591 10.578 15.028 28.675 1.00 0.00 H +ATOM 23842 H2 WAT 7591 10.371 13.569 29.020 1.00 0.00 H +TER +ATOM 23843 O WAT 7592 9.099 7.235 17.770 1.00 0.00 O +ATOM 23844 H1 WAT 7592 9.538 6.398 17.624 1.00 0.00 H +ATOM 23845 H2 WAT 7592 9.812 7.868 17.857 1.00 0.00 H +TER +ATOM 23846 O WAT 7593 7.208 12.175 21.738 1.00 0.00 O +ATOM 23847 H1 WAT 7593 7.648 12.918 21.324 1.00 0.00 H +ATOM 23848 H2 WAT 7593 7.147 12.418 22.662 1.00 0.00 H +TER +ATOM 23849 O WAT 7594 2.684 13.200 32.640 1.00 0.00 O +ATOM 23850 H1 WAT 7594 2.655 13.604 31.773 1.00 0.00 H +ATOM 23851 H2 WAT 7594 2.520 12.271 32.478 1.00 0.00 H +TER +ATOM 23852 O WAT 7595 14.635 13.982 33.937 1.00 0.00 O +ATOM 23853 H1 WAT 7595 15.111 14.461 34.616 1.00 0.00 H +ATOM 23854 H2 WAT 7595 15.256 13.914 33.211 1.00 0.00 H +TER +ATOM 23855 O WAT 7596 14.038 11.174 31.097 1.00 0.00 O +ATOM 23856 H1 WAT 7596 14.165 10.935 30.179 1.00 0.00 H +ATOM 23857 H2 WAT 7596 14.080 10.342 31.569 1.00 0.00 H +TER +ATOM 23858 O WAT 7597 7.900 14.876 29.666 1.00 0.00 O +ATOM 23859 H1 WAT 7597 8.414 14.787 30.469 1.00 0.00 H +ATOM 23860 H2 WAT 7597 7.057 15.222 29.959 1.00 0.00 H +TER +ATOM 23861 O WAT 7598 9.875 15.162 19.095 1.00 0.00 O +ATOM 23862 H1 WAT 7598 9.716 14.872 19.993 1.00 0.00 H +ATOM 23863 H2 WAT 7598 9.710 14.386 18.559 1.00 0.00 H +TER +ATOM 23864 O WAT 7599 9.578 12.671 17.655 1.00 0.00 O +ATOM 23865 H1 WAT 7599 8.885 12.668 16.995 1.00 0.00 H +ATOM 23866 H2 WAT 7599 10.320 12.247 17.224 1.00 0.00 H +TER +ATOM 23867 O WAT 7600 9.143 14.297 21.729 1.00 0.00 O +ATOM 23868 H1 WAT 7600 9.599 13.516 22.043 1.00 0.00 H +ATOM 23869 H2 WAT 7600 9.482 15.008 22.274 1.00 0.00 H +TER +ATOM 23870 O WAT 7601 13.891 3.227 32.062 1.00 0.00 O +ATOM 23871 H1 WAT 7601 13.275 3.735 31.533 1.00 0.00 H +ATOM 23872 H2 WAT 7601 13.570 2.327 32.004 1.00 0.00 H +TER +ATOM 23873 O WAT 7602 10.953 3.287 30.658 1.00 0.00 O +ATOM 23874 H1 WAT 7602 10.102 2.988 30.979 1.00 0.00 H +ATOM 23875 H2 WAT 7602 10.793 3.531 29.746 1.00 0.00 H +TER +ATOM 23876 O WAT 7603 8.048 4.787 32.758 1.00 0.00 O +ATOM 23877 H1 WAT 7603 8.373 3.954 32.418 1.00 0.00 H +ATOM 23878 H2 WAT 7603 8.836 5.310 32.905 1.00 0.00 H +TER +ATOM 23879 O WAT 7604 8.686 4.329 20.252 1.00 0.00 O +ATOM 23880 H1 WAT 7604 8.087 5.053 20.068 1.00 0.00 H +ATOM 23881 H2 WAT 7604 9.234 4.267 19.469 1.00 0.00 H +TER +ATOM 23882 O WAT 7605 3.897 5.221 32.319 1.00 0.00 O +ATOM 23883 H1 WAT 7605 3.801 4.281 32.169 1.00 0.00 H +ATOM 23884 H2 WAT 7605 4.740 5.443 31.923 1.00 0.00 H +TER +ATOM 23885 O WAT 7606 7.293 2.965 22.282 1.00 0.00 O +ATOM 23886 H1 WAT 7606 7.686 3.283 21.469 1.00 0.00 H +ATOM 23887 H2 WAT 7606 7.655 2.086 22.396 1.00 0.00 H +TER +ATOM 23888 O WAT 7607 7.878 5.556 26.377 1.00 0.00 O +ATOM 23889 H1 WAT 7607 7.147 6.065 26.726 1.00 0.00 H +ATOM 23890 H2 WAT 7607 7.481 4.739 26.076 1.00 0.00 H +TER +ATOM 23891 O WAT 7608 4.378 3.232 17.773 1.00 0.00 O +ATOM 23892 H1 WAT 7608 4.499 3.191 18.722 1.00 0.00 H +ATOM 23893 H2 WAT 7608 3.993 4.095 17.618 1.00 0.00 H +TER +ATOM 23894 O WAT 7609 3.390 5.543 17.171 1.00 0.00 O +ATOM 23895 H1 WAT 7609 2.822 5.094 16.545 1.00 0.00 H +ATOM 23896 H2 WAT 7609 4.099 5.902 16.638 1.00 0.00 H +TER +ATOM 23897 O WAT 7610 4.617 6.291 26.529 1.00 0.00 O +ATOM 23898 H1 WAT 7610 4.984 5.817 27.275 1.00 0.00 H +ATOM 23899 H2 WAT 7610 4.427 7.166 26.870 1.00 0.00 H +TER +ATOM 23900 O WAT 7611 2.407 5.332 28.847 1.00 0.00 O +ATOM 23901 H1 WAT 7611 2.103 6.212 29.072 1.00 0.00 H +ATOM 23902 H2 WAT 7611 3.362 5.392 28.883 1.00 0.00 H +TER +ATOM 23903 O WAT 7612 11.694 8.535 25.237 1.00 0.00 O +ATOM 23904 H1 WAT 7612 12.414 9.030 24.846 1.00 0.00 H +ATOM 23905 H2 WAT 7612 11.492 7.857 24.592 1.00 0.00 H +TER +ATOM 23906 O WAT 7613 7.076 8.606 31.124 1.00 0.00 O +ATOM 23907 H1 WAT 7613 7.009 7.685 30.869 1.00 0.00 H +ATOM 23908 H2 WAT 7613 6.446 8.703 31.838 1.00 0.00 H +TER +ATOM 23909 O WAT 7614 9.870 4.301 17.676 1.00 0.00 O +ATOM 23910 H1 WAT 7614 10.758 4.612 17.501 1.00 0.00 H +ATOM 23911 H2 WAT 7614 9.840 3.428 17.284 1.00 0.00 H +TER +ATOM 23912 O WAT 7615 5.866 10.473 18.355 1.00 0.00 O +ATOM 23913 H1 WAT 7615 6.207 11.217 17.859 1.00 0.00 H +ATOM 23914 H2 WAT 7615 5.037 10.786 18.717 1.00 0.00 H +TER +ATOM 23915 O WAT 7616 7.007 11.428 30.874 1.00 0.00 O +ATOM 23916 H1 WAT 7616 7.022 10.496 30.656 1.00 0.00 H +ATOM 23917 H2 WAT 7616 6.300 11.514 31.513 1.00 0.00 H +TER +ATOM 23918 O WAT 7617 12.141 5.612 17.144 1.00 0.00 O +ATOM 23919 H1 WAT 7617 12.057 6.043 16.293 1.00 0.00 H +ATOM 23920 H2 WAT 7617 12.861 6.072 17.576 1.00 0.00 H +TER +ATOM 23921 O WAT 7618 13.219 8.069 30.221 1.00 0.00 O +ATOM 23922 H1 WAT 7618 12.493 8.662 30.024 1.00 0.00 H +ATOM 23923 H2 WAT 7618 13.746 8.061 29.422 1.00 0.00 H +TER +ATOM 23924 O WAT 7619 13.170 12.466 19.872 1.00 0.00 O +ATOM 23925 H1 WAT 7619 12.527 11.812 20.146 1.00 0.00 H +ATOM 23926 H2 WAT 7619 12.783 12.872 19.096 1.00 0.00 H +TER +ATOM 23927 O WAT 7620 8.748 9.795 23.719 1.00 0.00 O +ATOM 23928 H1 WAT 7620 9.101 9.197 23.059 1.00 0.00 H +ATOM 23929 H2 WAT 7620 7.865 9.469 23.890 1.00 0.00 H +TER +ATOM 23930 O WAT 7621 4.835 10.554 21.126 1.00 0.00 O +ATOM 23931 H1 WAT 7621 5.522 11.101 21.507 1.00 0.00 H +ATOM 23932 H2 WAT 7621 4.048 11.099 21.161 1.00 0.00 H +TER +ATOM 23933 O WAT 7622 4.138 7.559 20.739 1.00 0.00 O +ATOM 23934 H1 WAT 7622 4.594 8.370 20.965 1.00 0.00 H +ATOM 23935 H2 WAT 7622 3.786 7.241 21.571 1.00 0.00 H +TER +ATOM 23936 O WAT 7623 6.441 13.070 27.968 1.00 0.00 O +ATOM 23937 H1 WAT 7623 7.085 13.276 28.645 1.00 0.00 H +ATOM 23938 H2 WAT 7623 6.804 12.309 27.515 1.00 0.00 H +TER +ATOM 23939 O WAT 7624 7.714 11.073 26.686 1.00 0.00 O +ATOM 23940 H1 WAT 7624 8.356 10.372 26.799 1.00 0.00 H +ATOM 23941 H2 WAT 7624 8.239 11.853 26.505 1.00 0.00 H +TER +ATOM 23942 O WAT 7625 11.560 11.358 16.410 1.00 0.00 O +ATOM 23943 H1 WAT 7625 11.333 10.641 17.002 1.00 0.00 H +ATOM 23944 H2 WAT 7625 11.169 11.109 15.572 1.00 0.00 H +TER +ATOM 23945 O WAT 7626 9.488 11.872 29.889 1.00 0.00 O +ATOM 23946 H1 WAT 7626 9.823 12.459 30.567 1.00 0.00 H +ATOM 23947 H2 WAT 7626 8.568 11.742 30.119 1.00 0.00 H +TER +ATOM 23948 O WAT 7627 11.141 9.275 18.071 1.00 0.00 O +ATOM 23949 H1 WAT 7627 10.853 9.736 18.859 1.00 0.00 H +ATOM 23950 H2 WAT 7627 11.936 8.815 18.339 1.00 0.00 H +TER +ATOM 23951 O WAT 7628 5.317 11.922 33.058 1.00 0.00 O +ATOM 23952 H1 WAT 7628 4.996 11.202 33.603 1.00 0.00 H +ATOM 23953 H2 WAT 7628 4.642 12.597 33.132 1.00 0.00 H +TER +ATOM 23954 O WAT 7629 3.358 12.768 18.001 1.00 0.00 O +ATOM 23955 H1 WAT 7629 3.349 13.501 17.386 1.00 0.00 H +ATOM 23956 H2 WAT 7629 2.438 12.521 18.094 1.00 0.00 H +TER +ATOM 23957 O WAT 7630 6.344 12.830 16.664 1.00 0.00 O +ATOM 23958 H1 WAT 7630 6.445 12.627 15.734 1.00 0.00 H +ATOM 23959 H2 WAT 7630 5.444 12.576 16.869 1.00 0.00 H +TER +ATOM 23960 O WAT 7631 3.867 3.388 20.646 1.00 0.00 O +ATOM 23961 H1 WAT 7631 3.158 3.857 21.088 1.00 0.00 H +ATOM 23962 H2 WAT 7631 4.151 2.731 21.281 1.00 0.00 H +TER +ATOM 23963 O WAT 7632 5.492 4.808 28.646 1.00 0.00 O +ATOM 23964 H1 WAT 7632 5.991 5.283 29.311 1.00 0.00 H +ATOM 23965 H2 WAT 7632 5.634 3.884 28.853 1.00 0.00 H +TER +ATOM 23966 O WAT 7633 4.986 15.349 21.359 1.00 0.00 O +ATOM 23967 H1 WAT 7633 5.240 15.311 20.437 1.00 0.00 H +ATOM 23968 H2 WAT 7633 4.037 15.222 21.352 1.00 0.00 H +TER +ATOM 23969 O WAT 7634 10.991 6.268 22.935 1.00 0.00 O +ATOM 23970 H1 WAT 7634 10.050 6.283 23.109 1.00 0.00 H +ATOM 23971 H2 WAT 7634 11.305 5.482 23.381 1.00 0.00 H +TER +ATOM 23972 O WAT 7635 12.994 13.439 24.610 1.00 0.00 O +ATOM 23973 H1 WAT 7635 13.118 14.262 25.082 1.00 0.00 H +ATOM 23974 H2 WAT 7635 13.860 13.228 24.262 1.00 0.00 H +TER +ATOM 23975 O WAT 7636 3.576 14.705 16.104 1.00 0.00 O +ATOM 23976 H1 WAT 7636 4.368 14.994 15.652 1.00 0.00 H +ATOM 23977 H2 WAT 7636 3.056 14.274 15.426 1.00 0.00 H +TER +ATOM 23978 O WAT 7637 8.308 10.825 33.418 1.00 0.00 O +ATOM 23979 H1 WAT 7637 7.701 10.848 32.677 1.00 0.00 H +ATOM 23980 H2 WAT 7637 8.003 10.093 33.955 1.00 0.00 H +TER +ATOM 23981 O WAT 7638 9.738 14.553 32.029 1.00 0.00 O +ATOM 23982 H1 WAT 7638 10.690 14.469 31.979 1.00 0.00 H +ATOM 23983 H2 WAT 7638 9.591 15.217 32.702 1.00 0.00 H +TER +ATOM 23984 O WAT 7639 12.629 13.932 17.528 1.00 0.00 O +ATOM 23985 H1 WAT 7639 12.343 13.519 16.713 1.00 0.00 H +ATOM 23986 H2 WAT 7639 12.431 14.861 17.408 1.00 0.00 H +TER +ATOM 23987 O WAT 7640 4.093 9.926 15.969 1.00 0.00 O +ATOM 23988 H1 WAT 7640 3.988 9.311 16.695 1.00 0.00 H +ATOM 23989 H2 WAT 7640 3.926 9.402 15.185 1.00 0.00 H +TER +ATOM 23990 O WAT 7641 4.245 8.611 31.947 1.00 0.00 O +ATOM 23991 H1 WAT 7641 3.479 9.180 31.863 1.00 0.00 H +ATOM 23992 H2 WAT 7641 4.426 8.319 31.054 1.00 0.00 H +TER +ATOM 23993 O WAT 7642 7.334 8.988 16.573 1.00 0.00 O +ATOM 23994 H1 WAT 7642 6.785 9.435 17.217 1.00 0.00 H +ATOM 23995 H2 WAT 7642 7.956 8.483 17.096 1.00 0.00 H +TER +ATOM 23996 O WAT 7643 11.387 10.342 32.505 1.00 0.00 O +ATOM 23997 H1 WAT 7643 12.128 10.679 32.002 1.00 0.00 H +ATOM 23998 H2 WAT 7643 10.624 10.511 31.952 1.00 0.00 H +TER +ATOM 23999 O WAT 7644 3.001 7.947 18.469 1.00 0.00 O +ATOM 24000 H1 WAT 7644 3.423 7.781 19.312 1.00 0.00 H +ATOM 24001 H2 WAT 7644 3.126 7.137 17.975 1.00 0.00 H +TER +ATOM 24002 O WAT 7645 5.514 6.970 15.717 1.00 0.00 O +ATOM 24003 H1 WAT 7645 6.034 6.255 15.351 1.00 0.00 H +ATOM 24004 H2 WAT 7645 6.161 7.609 16.017 1.00 0.00 H +TER +ATOM 24005 O WAT 7646 10.062 8.393 31.040 1.00 0.00 O +ATOM 24006 H1 WAT 7646 10.476 8.548 31.890 1.00 0.00 H +ATOM 24007 H2 WAT 7646 9.127 8.519 31.203 1.00 0.00 H +TER +ATOM 24008 O WAT 7647 10.534 5.733 33.044 1.00 0.00 O +ATOM 24009 H1 WAT 7647 11.116 4.978 32.956 1.00 0.00 H +ATOM 24010 H2 WAT 7647 10.710 6.264 32.268 1.00 0.00 H +TER +ATOM 24011 O WAT 7648 4.823 8.345 29.010 1.00 0.00 O +ATOM 24012 H1 WAT 7648 5.242 9.189 28.838 1.00 0.00 H +ATOM 24013 H2 WAT 7648 3.904 8.483 28.781 1.00 0.00 H +TER +ATOM 24014 O WAT 7649 7.160 6.077 30.394 1.00 0.00 O +ATOM 24015 H1 WAT 7649 7.279 5.481 31.133 1.00 0.00 H +ATOM 24016 H2 WAT 7649 8.019 6.114 29.974 1.00 0.00 H +TER +ATOM 24017 O WAT 7650 9.498 6.631 28.970 1.00 0.00 O +ATOM 24018 H1 WAT 7650 8.972 7.155 28.367 1.00 0.00 H +ATOM 24019 H2 WAT 7650 9.842 7.263 29.601 1.00 0.00 H +TER +ATOM 24020 O WAT 7651 2.674 14.651 30.126 1.00 0.00 O +ATOM 24021 H1 WAT 7651 2.136 15.375 29.807 1.00 0.00 H +ATOM 24022 H2 WAT 7651 2.927 14.174 29.336 1.00 0.00 H +TER +ATOM 24023 O WAT 7652 3.926 2.619 31.651 1.00 0.00 O +ATOM 24024 H1 WAT 7652 4.516 2.311 32.339 1.00 0.00 H +ATOM 24025 H2 WAT 7652 3.108 2.147 31.807 1.00 0.00 H +TER +ATOM 24026 O WAT 7653 5.530 15.886 30.385 1.00 0.00 O +ATOM 24027 H1 WAT 7653 5.456 16.789 30.692 1.00 0.00 H +ATOM 24028 H2 WAT 7653 4.628 15.567 30.357 1.00 0.00 H +TER +ATOM 24029 O WAT 7654 6.079 15.052 18.007 1.00 0.00 O +ATOM 24030 H1 WAT 7654 6.974 15.390 18.029 1.00 0.00 H +ATOM 24031 H2 WAT 7654 6.110 14.330 17.380 1.00 0.00 H +TER +ATOM 24032 O WAT 7655 13.058 13.582 30.714 1.00 0.00 O +ATOM 24033 H1 WAT 7655 12.458 13.641 29.970 1.00 0.00 H +ATOM 24034 H2 WAT 7655 13.188 12.642 30.843 1.00 0.00 H +TER +ATOM 24035 O WAT 7656 14.298 11.324 16.051 1.00 0.00 O +ATOM 24036 H1 WAT 7656 13.468 11.391 16.521 1.00 0.00 H +ATOM 24037 H2 WAT 7656 14.475 12.214 15.747 1.00 0.00 H +TER +ATOM 24038 O WAT 7657 13.754 8.069 18.554 1.00 0.00 O +ATOM 24039 H1 WAT 7657 14.516 8.638 18.660 1.00 0.00 H +ATOM 24040 H2 WAT 7657 13.769 7.501 19.325 1.00 0.00 H +TER +ATOM 24041 O WAT 7658 14.760 8.924 23.398 1.00 0.00 O +ATOM 24042 H1 WAT 7658 15.131 8.140 22.992 1.00 0.00 H +ATOM 24043 H2 WAT 7658 15.400 9.612 23.220 1.00 0.00 H +TER +ATOM 24044 O WAT 7659 11.743 10.307 28.811 1.00 0.00 O +ATOM 24045 H1 WAT 7659 10.929 10.737 29.074 1.00 0.00 H +ATOM 24046 H2 WAT 7659 12.151 10.919 28.198 1.00 0.00 H +TER +ATOM 24047 O WAT 7660 13.806 8.362 15.711 1.00 0.00 O +ATOM 24048 H1 WAT 7660 14.081 9.270 15.583 1.00 0.00 H +ATOM 24049 H2 WAT 7660 13.617 8.298 16.648 1.00 0.00 H +TER +ATOM 24050 O WAT 7661 13.702 6.299 20.704 1.00 0.00 O +ATOM 24051 H1 WAT 7661 13.327 5.532 20.272 1.00 0.00 H +ATOM 24052 H2 WAT 7661 12.973 6.681 21.192 1.00 0.00 H +TER +ATOM 24053 O WAT 7662 13.092 5.446 30.338 1.00 0.00 O +ATOM 24054 H1 WAT 7662 12.861 5.217 29.438 1.00 0.00 H +ATOM 24055 H2 WAT 7662 13.353 6.366 30.293 1.00 0.00 H +TER +ATOM 24056 O WAT 7663 12.977 4.525 24.005 1.00 0.00 O +ATOM 24057 H1 WAT 7663 13.501 4.031 23.374 1.00 0.00 H +ATOM 24058 H2 WAT 7663 13.563 4.660 24.750 1.00 0.00 H +TER +ATOM 24059 O WAT 7664 13.156 4.609 27.527 1.00 0.00 O +ATOM 24060 H1 WAT 7664 12.207 4.575 27.642 1.00 0.00 H +ATOM 24061 H2 WAT 7664 13.338 5.519 27.292 1.00 0.00 H +TER +ATOM 24062 O WAT 7665 12.467 3.782 19.944 1.00 0.00 O +ATOM 24063 H1 WAT 7665 12.963 3.549 20.729 1.00 0.00 H +ATOM 24064 H2 WAT 7665 12.269 2.943 19.528 1.00 0.00 H +TER +ATOM 24065 O WAT 7666 13.896 2.418 22.478 1.00 0.00 O +ATOM 24066 H1 WAT 7666 13.786 2.264 23.416 1.00 0.00 H +ATOM 24067 H2 WAT 7666 14.657 1.890 22.236 1.00 0.00 H +TER +ATOM 24068 O WAT 7667 11.801 15.059 22.338 1.00 0.00 O +ATOM 24069 H1 WAT 7667 12.397 14.738 21.662 1.00 0.00 H +ATOM 24070 H2 WAT 7667 12.059 14.586 23.130 1.00 0.00 H +TER +ATOM 24071 O WAT 7668 3.408 13.047 28.088 1.00 0.00 O +ATOM 24072 H1 WAT 7668 3.167 13.314 27.201 1.00 0.00 H +ATOM 24073 H2 WAT 7668 4.348 13.217 28.143 1.00 0.00 H +TER +ATOM 24074 O WAT 7669 14.668 15.066 28.889 1.00 0.00 O +ATOM 24075 H1 WAT 7669 14.174 15.463 28.172 1.00 0.00 H +ATOM 24076 H2 WAT 7669 14.059 14.441 29.283 1.00 0.00 H +TER +ATOM 24077 O WAT 7670 12.352 15.709 26.168 1.00 0.00 O +ATOM 24078 H1 WAT 7670 11.892 16.460 25.794 1.00 0.00 H +ATOM 24079 H2 WAT 7670 11.723 14.989 26.109 1.00 0.00 H +TER +ATOM 24080 O WAT 7671 2.782 14.017 25.343 1.00 0.00 O +ATOM 24081 H1 WAT 7671 3.298 13.406 24.818 1.00 0.00 H +ATOM 24082 H2 WAT 7671 3.431 14.520 25.834 1.00 0.00 H +TER +ATOM 24083 O WAT 7672 5.521 14.908 26.170 1.00 0.00 O +ATOM 24084 H1 WAT 7672 5.809 14.654 25.293 1.00 0.00 H +ATOM 24085 H2 WAT 7672 6.034 14.356 26.760 1.00 0.00 H +TER +ATOM 24086 O WAT 7673 5.588 15.830 33.537 1.00 0.00 O +ATOM 24087 H1 WAT 7673 6.515 15.594 33.580 1.00 0.00 H +ATOM 24088 H2 WAT 7673 5.574 16.657 33.055 1.00 0.00 H +TER +ATOM 24089 O WAT 7674 13.823 15.372 20.534 1.00 0.00 O +ATOM 24090 H1 WAT 7674 13.998 14.686 19.890 1.00 0.00 H +ATOM 24091 H2 WAT 7674 13.125 15.897 20.142 1.00 0.00 H +TER +ATOM 24092 O WAT 7675 12.156 15.057 33.361 1.00 0.00 O +ATOM 24093 H1 WAT 7675 12.949 14.562 33.153 1.00 0.00 H +ATOM 24094 H2 WAT 7675 12.450 15.736 33.968 1.00 0.00 H +TER +ATOM 24095 O WAT 7676 8.282 5.929 4.242 1.00 0.00 O +ATOM 24096 H1 WAT 7676 8.202 5.014 3.971 1.00 0.00 H +ATOM 24097 H2 WAT 7676 7.869 6.426 3.536 1.00 0.00 H +TER +ATOM 24098 O WAT 7677 6.414 7.707 6.123 1.00 0.00 O +ATOM 24099 H1 WAT 7677 5.638 7.227 6.413 1.00 0.00 H +ATOM 24100 H2 WAT 7677 7.065 7.027 5.949 1.00 0.00 H +TER +ATOM 24101 O WAT 7678 10.435 12.113 4.903 1.00 0.00 O +ATOM 24102 H1 WAT 7678 9.973 11.342 5.232 1.00 0.00 H +ATOM 24103 H2 WAT 7678 11.247 12.139 5.408 1.00 0.00 H +TER +ATOM 24104 O WAT 7679 6.661 14.399 4.523 1.00 0.00 O +ATOM 24105 H1 WAT 7679 6.042 14.854 3.953 1.00 0.00 H +ATOM 24106 H2 WAT 7679 7.516 14.554 4.122 1.00 0.00 H +TER +ATOM 24107 O WAT 7680 5.855 10.383 6.130 1.00 0.00 O +ATOM 24108 H1 WAT 7680 5.786 9.442 5.969 1.00 0.00 H +ATOM 24109 H2 WAT 7680 6.617 10.473 6.702 1.00 0.00 H +TER +ATOM 24110 O WAT 7681 6.885 3.190 6.357 1.00 0.00 O +ATOM 24111 H1 WAT 7681 7.262 2.317 6.244 1.00 0.00 H +ATOM 24112 H2 WAT 7681 6.787 3.525 5.466 1.00 0.00 H +TER +ATOM 24113 O WAT 7682 2.857 4.531 6.151 1.00 0.00 O +ATOM 24114 H1 WAT 7682 3.365 5.029 6.792 1.00 0.00 H +ATOM 24115 H2 WAT 7682 3.388 3.754 5.975 1.00 0.00 H +TER +ATOM 24116 O WAT 7683 14.958 2.701 9.854 1.00 0.00 O +ATOM 24117 H1 WAT 7683 14.253 3.089 9.336 1.00 0.00 H +ATOM 24118 H2 WAT 7683 15.224 3.396 10.456 1.00 0.00 H +TER +ATOM 24119 O WAT 7684 2.391 8.810 8.595 1.00 0.00 O +ATOM 24120 H1 WAT 7684 2.058 9.437 9.237 1.00 0.00 H +ATOM 24121 H2 WAT 7684 2.567 9.336 7.815 1.00 0.00 H +TER +ATOM 24122 O WAT 7685 10.904 2.625 6.063 1.00 0.00 O +ATOM 24123 H1 WAT 7685 10.200 2.913 6.643 1.00 0.00 H +ATOM 24124 H2 WAT 7685 11.265 3.435 5.703 1.00 0.00 H +TER +ATOM 24125 O WAT 7686 12.520 12.242 8.325 1.00 0.00 O +ATOM 24126 H1 WAT 7686 11.837 12.912 8.317 1.00 0.00 H +ATOM 24127 H2 WAT 7686 13.060 12.440 7.560 1.00 0.00 H +TER +ATOM 24128 O WAT 7687 13.973 2.070 6.454 1.00 0.00 O +ATOM 24129 H1 WAT 7687 13.025 2.104 6.585 1.00 0.00 H +ATOM 24130 H2 WAT 7687 14.298 2.884 6.838 1.00 0.00 H +TER +ATOM 24131 O WAT 7688 10.056 14.087 7.040 1.00 0.00 O +ATOM 24132 H1 WAT 7688 10.069 13.683 6.172 1.00 0.00 H +ATOM 24133 H2 WAT 7688 9.504 14.861 6.936 1.00 0.00 H +TER +ATOM 24134 O WAT 7689 11.351 10.808 2.129 1.00 0.00 O +ATOM 24135 H1 WAT 7689 11.240 9.866 2.254 1.00 0.00 H +ATOM 24136 H2 WAT 7689 11.347 11.170 3.015 1.00 0.00 H +TER +ATOM 24137 O WAT 7690 9.455 8.990 8.368 1.00 0.00 O +ATOM 24138 H1 WAT 7690 9.872 8.776 7.534 1.00 0.00 H +ATOM 24139 H2 WAT 7690 10.179 9.247 8.939 1.00 0.00 H +TER +ATOM 24140 O WAT 7691 13.401 7.388 8.460 1.00 0.00 O +ATOM 24141 H1 WAT 7691 12.573 7.458 7.985 1.00 0.00 H +ATOM 24142 H2 WAT 7691 13.996 7.974 7.991 1.00 0.00 H +TER +ATOM 24143 O WAT 7692 10.365 4.175 9.405 1.00 0.00 O +ATOM 24144 H1 WAT 7692 9.952 5.001 9.659 1.00 0.00 H +ATOM 24145 H2 WAT 7692 9.633 3.590 9.213 1.00 0.00 H +TER +ATOM 24146 O WAT 7693 2.498 6.961 4.267 1.00 0.00 O +ATOM 24147 H1 WAT 7693 2.094 6.249 3.772 1.00 0.00 H +ATOM 24148 H2 WAT 7693 2.585 6.617 5.156 1.00 0.00 H +TER +ATOM 24149 O WAT 7694 2.967 10.648 6.431 1.00 0.00 O +ATOM 24150 H1 WAT 7694 2.669 10.043 5.752 1.00 0.00 H +ATOM 24151 H2 WAT 7694 3.917 10.686 6.320 1.00 0.00 H +TER +ATOM 24152 O WAT 7695 11.055 14.221 10.093 1.00 0.00 O +ATOM 24153 H1 WAT 7695 10.578 15.028 9.901 1.00 0.00 H +ATOM 24154 H2 WAT 7695 10.371 13.569 10.246 1.00 0.00 H +TER +ATOM 24155 O WAT 7696 7.208 12.175 2.964 1.00 0.00 O +ATOM 24156 H1 WAT 7696 7.648 12.918 2.550 1.00 0.00 H +ATOM 24157 H2 WAT 7696 7.147 12.418 3.888 1.00 0.00 H +TER +ATOM 24158 O WAT 7697 2.684 13.200 13.866 1.00 0.00 O +ATOM 24159 H1 WAT 7697 2.655 13.604 12.999 1.00 0.00 H +ATOM 24160 H2 WAT 7697 2.520 12.271 13.703 1.00 0.00 H +TER +ATOM 24161 O WAT 7698 14.635 13.982 15.163 1.00 0.00 O +ATOM 24162 H1 WAT 7698 15.111 14.461 15.841 1.00 0.00 H +ATOM 24163 H2 WAT 7698 15.256 13.914 14.437 1.00 0.00 H +TER +ATOM 24164 O WAT 7699 14.038 11.174 12.323 1.00 0.00 O +ATOM 24165 H1 WAT 7699 14.165 10.935 11.404 1.00 0.00 H +ATOM 24166 H2 WAT 7699 14.080 10.342 12.795 1.00 0.00 H +TER +ATOM 24167 O WAT 7700 7.900 14.876 10.892 1.00 0.00 O +ATOM 24168 H1 WAT 7700 8.414 14.787 11.694 1.00 0.00 H +ATOM 24169 H2 WAT 7700 7.057 15.222 11.185 1.00 0.00 H +TER +ATOM 24170 O WAT 7701 9.143 14.297 2.955 1.00 0.00 O +ATOM 24171 H1 WAT 7701 9.599 13.516 3.269 1.00 0.00 H +ATOM 24172 H2 WAT 7701 9.482 15.008 3.499 1.00 0.00 H +TER +ATOM 24173 O WAT 7702 13.891 3.227 13.287 1.00 0.00 O +ATOM 24174 H1 WAT 7702 13.275 3.735 12.759 1.00 0.00 H +ATOM 24175 H2 WAT 7702 13.570 2.327 13.230 1.00 0.00 H +TER +ATOM 24176 O WAT 7703 10.953 3.287 11.883 1.00 0.00 O +ATOM 24177 H1 WAT 7703 10.102 2.988 12.204 1.00 0.00 H +ATOM 24178 H2 WAT 7703 10.793 3.531 10.972 1.00 0.00 H +TER +ATOM 24179 O WAT 7704 8.048 4.787 13.983 1.00 0.00 O +ATOM 24180 H1 WAT 7704 8.373 3.954 13.643 1.00 0.00 H +ATOM 24181 H2 WAT 7704 8.836 5.310 14.131 1.00 0.00 H +TER +ATOM 24182 O WAT 7705 3.897 5.221 13.544 1.00 0.00 O +ATOM 24183 H1 WAT 7705 3.801 4.281 13.394 1.00 0.00 H +ATOM 24184 H2 WAT 7705 4.740 5.443 13.149 1.00 0.00 H +TER +ATOM 24185 O WAT 7706 7.293 2.965 3.508 1.00 0.00 O +ATOM 24186 H1 WAT 7706 7.686 3.283 2.695 1.00 0.00 H +ATOM 24187 H2 WAT 7706 7.655 2.086 3.622 1.00 0.00 H +TER +ATOM 24188 O WAT 7707 7.878 5.556 7.603 1.00 0.00 O +ATOM 24189 H1 WAT 7707 7.147 6.065 7.952 1.00 0.00 H +ATOM 24190 H2 WAT 7707 7.481 4.739 7.302 1.00 0.00 H +TER +ATOM 24191 O WAT 7708 4.617 6.291 7.755 1.00 0.00 O +ATOM 24192 H1 WAT 7708 4.984 5.817 8.501 1.00 0.00 H +ATOM 24193 H2 WAT 7708 4.427 7.166 8.095 1.00 0.00 H +TER +ATOM 24194 O WAT 7709 2.407 5.332 10.073 1.00 0.00 O +ATOM 24195 H1 WAT 7709 2.103 6.212 10.298 1.00 0.00 H +ATOM 24196 H2 WAT 7709 3.362 5.392 10.109 1.00 0.00 H +TER +ATOM 24197 O WAT 7710 11.694 8.535 6.462 1.00 0.00 O +ATOM 24198 H1 WAT 7710 12.414 9.030 6.072 1.00 0.00 H +ATOM 24199 H2 WAT 7710 11.492 7.857 5.818 1.00 0.00 H +TER +ATOM 24200 O WAT 7711 7.076 8.606 12.349 1.00 0.00 O +ATOM 24201 H1 WAT 7711 7.009 7.685 12.095 1.00 0.00 H +ATOM 24202 H2 WAT 7711 6.446 8.703 13.064 1.00 0.00 H +TER +ATOM 24203 O WAT 7712 7.007 11.428 12.100 1.00 0.00 O +ATOM 24204 H1 WAT 7712 7.022 10.496 11.881 1.00 0.00 H +ATOM 24205 H2 WAT 7712 6.300 11.514 12.739 1.00 0.00 H +TER +ATOM 24206 O WAT 7713 13.219 8.069 11.446 1.00 0.00 O +ATOM 24207 H1 WAT 7713 12.493 8.662 11.249 1.00 0.00 H +ATOM 24208 H2 WAT 7713 13.746 8.061 10.648 1.00 0.00 H +TER +ATOM 24209 O WAT 7714 8.748 9.795 4.945 1.00 0.00 O +ATOM 24210 H1 WAT 7714 9.101 9.197 4.285 1.00 0.00 H +ATOM 24211 H2 WAT 7714 7.865 9.469 5.116 1.00 0.00 H +TER +ATOM 24212 O WAT 7715 4.835 10.554 2.352 1.00 0.00 O +ATOM 24213 H1 WAT 7715 5.522 11.101 2.733 1.00 0.00 H +ATOM 24214 H2 WAT 7715 4.048 11.099 2.387 1.00 0.00 H +TER +ATOM 24215 O WAT 7716 6.441 13.070 9.194 1.00 0.00 O +ATOM 24216 H1 WAT 7716 7.085 13.276 9.871 1.00 0.00 H +ATOM 24217 H2 WAT 7716 6.804 12.309 8.741 1.00 0.00 H +TER +ATOM 24218 O WAT 7717 7.714 11.073 7.911 1.00 0.00 O +ATOM 24219 H1 WAT 7717 8.356 10.372 8.025 1.00 0.00 H +ATOM 24220 H2 WAT 7717 8.239 11.853 7.731 1.00 0.00 H +TER +ATOM 24221 O WAT 7718 9.488 11.872 11.115 1.00 0.00 O +ATOM 24222 H1 WAT 7718 9.823 12.459 11.793 1.00 0.00 H +ATOM 24223 H2 WAT 7718 8.568 11.742 11.345 1.00 0.00 H +TER +ATOM 24224 O WAT 7719 5.317 11.922 14.284 1.00 0.00 O +ATOM 24225 H1 WAT 7719 4.996 11.202 14.828 1.00 0.00 H +ATOM 24226 H2 WAT 7719 4.642 12.597 14.357 1.00 0.00 H +TER +ATOM 24227 O WAT 7720 5.492 4.808 9.871 1.00 0.00 O +ATOM 24228 H1 WAT 7720 5.991 5.283 10.536 1.00 0.00 H +ATOM 24229 H2 WAT 7720 5.634 3.884 10.078 1.00 0.00 H +TER +ATOM 24230 O WAT 7721 10.991 6.268 4.160 1.00 0.00 O +ATOM 24231 H1 WAT 7721 10.050 6.283 4.335 1.00 0.00 H +ATOM 24232 H2 WAT 7721 11.305 5.482 4.606 1.00 0.00 H +TER +ATOM 24233 O WAT 7722 12.994 13.439 5.836 1.00 0.00 O +ATOM 24234 H1 WAT 7722 13.118 14.262 6.308 1.00 0.00 H +ATOM 24235 H2 WAT 7722 13.860 13.228 5.488 1.00 0.00 H +TER +ATOM 24236 O WAT 7723 8.308 10.825 14.643 1.00 0.00 O +ATOM 24237 H1 WAT 7723 7.701 10.848 13.903 1.00 0.00 H +ATOM 24238 H2 WAT 7723 8.003 10.093 15.180 1.00 0.00 H +TER +ATOM 24239 O WAT 7724 9.738 14.553 13.254 1.00 0.00 O +ATOM 24240 H1 WAT 7724 10.690 14.469 13.204 1.00 0.00 H +ATOM 24241 H2 WAT 7724 9.591 15.217 13.928 1.00 0.00 H +TER +ATOM 24242 O WAT 7725 4.245 8.611 13.173 1.00 0.00 O +ATOM 24243 H1 WAT 7725 3.479 9.180 13.089 1.00 0.00 H +ATOM 24244 H2 WAT 7725 4.426 8.319 12.280 1.00 0.00 H +TER +ATOM 24245 O WAT 7726 11.387 10.342 13.731 1.00 0.00 O +ATOM 24246 H1 WAT 7726 12.128 10.679 13.227 1.00 0.00 H +ATOM 24247 H2 WAT 7726 10.624 10.511 13.178 1.00 0.00 H +TER +ATOM 24248 O WAT 7727 10.062 8.393 12.266 1.00 0.00 O +ATOM 24249 H1 WAT 7727 10.476 8.548 13.115 1.00 0.00 H +ATOM 24250 H2 WAT 7727 9.127 8.519 12.429 1.00 0.00 H +TER +ATOM 24251 O WAT 7728 10.534 5.733 14.270 1.00 0.00 O +ATOM 24252 H1 WAT 7728 11.116 4.978 14.182 1.00 0.00 H +ATOM 24253 H2 WAT 7728 10.710 6.264 13.493 1.00 0.00 H +TER +ATOM 24254 O WAT 7729 4.823 8.345 10.236 1.00 0.00 O +ATOM 24255 H1 WAT 7729 5.242 9.189 10.063 1.00 0.00 H +ATOM 24256 H2 WAT 7729 3.904 8.483 10.006 1.00 0.00 H +TER +ATOM 24257 O WAT 7730 7.160 6.077 11.620 1.00 0.00 O +ATOM 24258 H1 WAT 7730 7.279 5.481 12.359 1.00 0.00 H +ATOM 24259 H2 WAT 7730 8.019 6.114 11.200 1.00 0.00 H +TER +ATOM 24260 O WAT 7731 9.498 6.631 10.196 1.00 0.00 O +ATOM 24261 H1 WAT 7731 8.972 7.155 9.592 1.00 0.00 H +ATOM 24262 H2 WAT 7731 9.842 7.263 10.827 1.00 0.00 H +TER +ATOM 24263 O WAT 7732 2.674 14.651 11.351 1.00 0.00 O +ATOM 24264 H1 WAT 7732 2.136 15.375 11.032 1.00 0.00 H +ATOM 24265 H2 WAT 7732 2.927 14.174 10.561 1.00 0.00 H +TER +ATOM 24266 O WAT 7733 3.926 2.619 12.877 1.00 0.00 O +ATOM 24267 H1 WAT 7733 4.516 2.311 13.565 1.00 0.00 H +ATOM 24268 H2 WAT 7733 3.108 2.147 13.033 1.00 0.00 H +TER +ATOM 24269 O WAT 7734 5.530 15.886 11.610 1.00 0.00 O +ATOM 24270 H1 WAT 7734 5.456 16.789 11.917 1.00 0.00 H +ATOM 24271 H2 WAT 7734 4.628 15.567 11.582 1.00 0.00 H +TER +ATOM 24272 O WAT 7735 13.058 13.582 11.939 1.00 0.00 O +ATOM 24273 H1 WAT 7735 12.458 13.641 11.196 1.00 0.00 H +ATOM 24274 H2 WAT 7735 13.188 12.642 12.069 1.00 0.00 H +TER +ATOM 24275 O WAT 7736 14.760 8.924 4.624 1.00 0.00 O +ATOM 24276 H1 WAT 7736 15.131 8.140 4.218 1.00 0.00 H +ATOM 24277 H2 WAT 7736 15.400 9.612 4.446 1.00 0.00 H +TER +ATOM 24278 O WAT 7737 11.743 10.307 10.037 1.00 0.00 O +ATOM 24279 H1 WAT 7737 10.929 10.737 10.300 1.00 0.00 H +ATOM 24280 H2 WAT 7737 12.151 10.919 9.424 1.00 0.00 H +TER +ATOM 24281 O WAT 7738 13.092 5.446 11.564 1.00 0.00 O +ATOM 24282 H1 WAT 7738 12.861 5.217 10.664 1.00 0.00 H +ATOM 24283 H2 WAT 7738 13.353 6.366 11.518 1.00 0.00 H +TER +ATOM 24284 O WAT 7739 12.977 4.525 5.231 1.00 0.00 O +ATOM 24285 H1 WAT 7739 13.501 4.031 4.600 1.00 0.00 H +ATOM 24286 H2 WAT 7739 13.563 4.660 5.975 1.00 0.00 H +TER +ATOM 24287 O WAT 7740 13.156 4.609 8.753 1.00 0.00 O +ATOM 24288 H1 WAT 7740 12.207 4.575 8.867 1.00 0.00 H +ATOM 24289 H2 WAT 7740 13.338 5.519 8.518 1.00 0.00 H +TER +ATOM 24290 O WAT 7741 13.896 2.418 3.704 1.00 0.00 O +ATOM 24291 H1 WAT 7741 13.786 2.264 4.642 1.00 0.00 H +ATOM 24292 H2 WAT 7741 14.657 1.890 3.461 1.00 0.00 H +TER +ATOM 24293 O WAT 7742 11.801 15.059 3.564 1.00 0.00 O +ATOM 24294 H1 WAT 7742 12.397 14.738 2.887 1.00 0.00 H +ATOM 24295 H2 WAT 7742 12.059 14.586 4.355 1.00 0.00 H +TER +ATOM 24296 O WAT 7743 3.408 13.047 9.314 1.00 0.00 O +ATOM 24297 H1 WAT 7743 3.167 13.314 8.427 1.00 0.00 H +ATOM 24298 H2 WAT 7743 4.348 13.217 9.369 1.00 0.00 H +TER +ATOM 24299 O WAT 7744 14.668 15.066 10.115 1.00 0.00 O +ATOM 24300 H1 WAT 7744 14.174 15.463 9.398 1.00 0.00 H +ATOM 24301 H2 WAT 7744 14.059 14.441 10.509 1.00 0.00 H +TER +ATOM 24302 O WAT 7745 12.352 15.709 7.394 1.00 0.00 O +ATOM 24303 H1 WAT 7745 11.892 16.460 7.019 1.00 0.00 H +ATOM 24304 H2 WAT 7745 11.723 14.989 7.335 1.00 0.00 H +TER +ATOM 24305 O WAT 7746 2.782 14.017 6.568 1.00 0.00 O +ATOM 24306 H1 WAT 7746 3.298 13.406 6.043 1.00 0.00 H +ATOM 24307 H2 WAT 7746 3.431 14.520 7.060 1.00 0.00 H +TER +ATOM 24308 O WAT 7747 5.521 14.908 7.395 1.00 0.00 O +ATOM 24309 H1 WAT 7747 5.809 14.654 6.519 1.00 0.00 H +ATOM 24310 H2 WAT 7747 6.034 14.356 7.986 1.00 0.00 H +TER +ATOM 24311 O WAT 7748 5.588 15.830 14.762 1.00 0.00 O +ATOM 24312 H1 WAT 7748 6.515 15.594 14.806 1.00 0.00 H +ATOM 24313 H2 WAT 7748 5.574 16.657 14.281 1.00 0.00 H +TER +ATOM 24314 O WAT 7749 12.156 15.057 14.586 1.00 0.00 O +ATOM 24315 H1 WAT 7749 12.949 14.562 14.379 1.00 0.00 H +ATOM 24316 H2 WAT 7749 12.450 15.736 15.194 1.00 0.00 H +TER +END diff --git a/src/data/amoeba/ion-in-water.pdb b/src/data/amoeba/ion-in-water.pdb new file mode 100644 index 000000000..dfe6d86bc --- /dev/null +++ b/src/data/amoeba/ion-in-water.pdb @@ -0,0 +1,652 @@ +TITLE Generated by filecnv.py : Water Cubic Box (18.643 Ang, 216 AMOEBA) +REMARK THIS IS A SIMULATION BOX +CRYST1 18.640 18.640 18.640 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 O HOH 1 8.039 5.868 0.493 1.00 0.00 +ATOM 2 H1 HOH 1 7.581 5.023 0.404 1.00 0.00 +ATOM 3 H2 HOH 1 8.287 6.062 -0.397 1.00 0.00 +ATOM 4 O HOH 2 0.115 -8.877 6.446 1.00 0.00 +ATOM 5 H1 HOH 2 0.959 -8.446 6.405 1.00 0.00 +ATOM 6 H2 HOH 2 0.247 -9.794 6.138 1.00 0.00 +ATOM 7 O HOH 3 -6.576 -0.253 8.105 1.00 0.00 +ATOM 8 H1 HOH 3 -6.646 0.690 7.896 1.00 0.00 +ATOM 9 H2 HOH 3 -6.685 -0.401 9.104 1.00 0.00 +ATOM 10 O HOH 4 6.583 0.855 -6.669 1.00 0.00 +ATOM 11 H1 HOH 4 6.260 0.887 -5.765 1.00 0.00 +ATOM 12 H2 HOH 4 6.169 0.053 -7.054 1.00 0.00 +ATOM 13 O HOH 5 5.495 6.436 1.842 1.00 0.00 +ATOM 14 H1 HOH 5 4.774 6.561 1.208 1.00 0.00 +ATOM 15 H2 HOH 5 6.254 6.349 1.235 1.00 0.00 +ATOM 16 O HOH 6 -4.665 -8.502 -2.653 1.00 0.00 +ATOM 17 H1 HOH 6 -4.505 -8.388 -3.607 1.00 0.00 +ATOM 18 H2 HOH 6 -5.565 -8.751 -2.596 1.00 0.00 +ATOM 19 O HOH 7 -7.755 -4.661 4.905 1.00 0.00 +ATOM 20 H1 HOH 7 -7.358 -5.440 5.311 1.00 0.00 +ATOM 21 H2 HOH 7 -7.076 -4.177 4.404 1.00 0.00 +ATOM 22 O HOH 8 -0.282 7.487 -7.686 1.00 0.00 +ATOM 23 H1 HOH 8 -0.794 7.446 -6.826 1.00 0.00 +ATOM 24 H2 HOH 8 0.170 8.381 -7.637 1.00 0.00 +ATOM 25 O HOH 9 -3.711 -2.262 -1.917 1.00 0.00 +ATOM 26 H1 HOH 9 -4.424 -2.426 -2.472 1.00 0.00 +ATOM 27 H2 HOH 9 -4.023 -2.211 -0.972 1.00 0.00 +ATOM 28 O HOH 10 -5.812 -5.616 0.835 1.00 0.00 +ATOM 29 H1 HOH 10 -6.676 -5.712 1.297 1.00 0.00 +ATOM 30 H2 HOH 10 -5.143 -5.532 1.560 1.00 0.00 +ATOM 31 O HOH 11 8.528 5.000 3.444 1.00 0.00 +ATOM 32 H1 HOH 11 8.866 4.760 4.341 1.00 0.00 +ATOM 33 H2 HOH 11 7.683 4.540 3.378 1.00 0.00 +ATOM 34 O HOH 12 0.063 3.962 -6.445 1.00 0.00 +ATOM 35 H1 HOH 12 -0.645 4.454 -6.001 1.00 0.00 +ATOM 36 H2 HOH 12 0.070 3.123 -5.989 1.00 0.00 +ATOM 37 O HOH 13 0.169 6.582 6.098 1.00 0.00 +ATOM 38 H1 HOH 13 0.291 6.371 7.040 1.00 0.00 +ATOM 39 H2 HOH 13 -0.396 5.942 5.671 1.00 0.00 +ATOM 40 O HOH 14 3.739 6.291 8.132 1.00 0.00 +ATOM 41 H1 HOH 14 4.150 6.101 9.011 1.00 0.00 +ATOM 42 H2 HOH 14 4.395 5.921 7.527 1.00 0.00 +ATOM 43 O HOH 15 3.250 4.562 -2.564 1.00 0.00 +ATOM 44 H1 HOH 15 3.743 4.531 -3.375 1.00 0.00 +ATOM 45 H2 HOH 15 2.699 5.379 -2.486 1.00 0.00 +ATOM 46 O HOH 16 5.618 5.202 6.376 1.00 0.00 +ATOM 47 H1 HOH 16 5.619 5.614 5.531 1.00 0.00 +ATOM 48 H2 HOH 16 5.490 4.269 6.211 1.00 0.00 +ATOM 49 O HOH 17 -8.775 6.941 -6.178 1.00 0.00 +ATOM 50 H1 HOH 17 -8.218 7.319 -5.471 1.00 0.00 +ATOM 51 H2 HOH 17 -9.036 7.737 -6.649 1.00 0.00 +ATOM 52 O HOH 18 -6.941 2.249 7.194 1.00 0.00 +ATOM 53 H1 HOH 18 -7.367 2.209 6.349 1.00 0.00 +ATOM 54 H2 HOH 18 -7.415 2.897 7.720 1.00 0.00 +ATOM 55 O HOH 19 4.829 -0.184 3.152 1.00 0.00 +ATOM 56 H1 HOH 19 5.557 0.243 2.724 1.00 0.00 +ATOM 57 H2 HOH 19 4.135 0.501 3.237 1.00 0.00 +ATOM 58 O HOH 20 -2.202 -3.107 9.171 1.00 0.00 +ATOM 59 H1 HOH 20 -2.320 -4.072 9.247 1.00 0.00 +ATOM 60 H2 HOH 20 -2.802 -2.935 8.421 1.00 0.00 +ATOM 61 O HOH 21 1.689 6.673 -2.435 1.00 0.00 +ATOM 62 H1 HOH 21 1.972 7.519 -2.054 1.00 0.00 +ATOM 63 H2 HOH 21 0.874 6.423 -1.954 1.00 0.00 +ATOM 64 O HOH 22 -9.080 -6.244 -0.882 1.00 0.00 +ATOM 65 H1 HOH 22 -8.673 -7.043 -0.480 1.00 0.00 +ATOM 66 H2 HOH 22 -8.364 -5.814 -1.383 1.00 0.00 +ATOM 67 O HOH 23 -8.657 -8.654 0.563 1.00 0.00 +ATOM 68 H1 HOH 23 -8.178 -9.465 0.842 1.00 0.00 +ATOM 69 H2 HOH 23 -9.453 -8.686 1.056 1.00 0.00 +ATOM 70 O HOH 24 -5.772 -2.632 -4.588 1.00 0.00 +ATOM 71 H1 HOH 24 -5.457 -3.169 -5.272 1.00 0.00 +ATOM 72 H2 HOH 24 -5.550 -1.707 -4.739 1.00 0.00 +ATOM 73 O HOH 25 7.237 -8.468 -6.950 1.00 0.00 +ATOM 74 H1 HOH 25 7.990 -8.965 -7.276 1.00 0.00 +ATOM 75 H2 HOH 25 7.508 -8.173 -6.060 1.00 0.00 +ATOM 76 O HOH 26 -2.377 -6.252 1.292 1.00 0.00 +ATOM 77 H1 HOH 26 -1.831 -6.216 0.487 1.00 0.00 +ATOM 78 H2 HOH 26 -2.393 -5.371 1.645 1.00 0.00 +ATOM 79 O HOH 27 0.833 -5.019 5.432 1.00 0.00 +ATOM 80 H1 HOH 27 1.092 -5.764 4.863 1.00 0.00 +ATOM 81 H2 HOH 27 0.148 -5.508 5.955 1.00 0.00 +ATOM 82 O HOH 28 7.425 -2.742 0.838 1.00 0.00 +ATOM 83 H1 HOH 28 6.867 -2.455 1.621 1.00 0.00 +ATOM 84 H2 HOH 28 7.152 -3.642 0.725 1.00 0.00 +ATOM 85 O HOH 29 -0.251 8.631 2.286 1.00 0.00 +ATOM 86 H1 HOH 29 0.096 9.072 1.496 1.00 0.00 +ATOM 87 H2 HOH 29 0.451 8.716 2.905 1.00 0.00 +ATOM 88 O HOH 30 4.778 9.024 8.252 1.00 0.00 +ATOM 89 H1 HOH 30 4.396 8.079 8.249 1.00 0.00 +ATOM 90 H2 HOH 30 4.683 9.287 9.179 1.00 0.00 +ATOM 91 O HOH 31 8.220 9.015 -2.508 1.00 0.00 +ATOM 92 H1 HOH 31 8.519 8.140 -2.217 1.00 0.00 +ATOM 93 H2 HOH 31 7.640 9.201 -1.814 1.00 0.00 +ATOM 94 O HOH 32 -7.944 1.760 4.644 1.00 0.00 +ATOM 95 H1 HOH 32 -7.921 2.353 3.866 1.00 0.00 +ATOM 96 H2 HOH 32 -8.706 1.129 4.460 1.00 0.00 +ATOM 97 O HOH 33 3.243 3.821 -8.247 1.00 0.00 +ATOM 98 H1 HOH 33 2.832 4.291 -7.488 1.00 0.00 +ATOM 99 H2 HOH 33 2.768 2.984 -8.262 1.00 0.00 +ATOM 100 O HOH 34 7.558 -8.962 2.368 1.00 0.00 +ATOM 101 H1 HOH 34 6.660 -8.703 2.710 1.00 0.00 +ATOM 102 H2 HOH 34 8.154 -9.119 3.115 1.00 0.00 +ATOM 103 O HOH 35 -8.425 3.501 -4.439 1.00 0.00 +ATOM 104 H1 HOH 35 -7.569 3.951 -4.471 1.00 0.00 +ATOM 105 H2 HOH 35 -8.698 3.546 -5.370 1.00 0.00 +ATOM 106 O HOH 36 3.884 -4.850 6.532 1.00 0.00 +ATOM 107 H1 HOH 36 4.124 -4.040 7.026 1.00 0.00 +ATOM 108 H2 HOH 36 3.006 -4.640 6.051 1.00 0.00 +ATOM 109 O HOH 37 6.206 -5.083 4.954 1.00 0.00 +ATOM 110 H1 HOH 37 6.896 -5.351 5.633 1.00 0.00 +ATOM 111 H2 HOH 37 5.366 -5.112 5.464 1.00 0.00 +ATOM 112 O HOH 38 7.035 -5.175 -0.739 1.00 0.00 +ATOM 113 H1 HOH 38 7.853 -5.654 -0.959 1.00 0.00 +ATOM 114 H2 HOH 38 6.781 -4.792 -1.619 1.00 0.00 +ATOM 115 O HOH 39 -4.412 -4.775 3.088 1.00 0.00 +ATOM 116 H1 HOH 39 -5.065 -4.108 3.116 1.00 0.00 +ATOM 117 H2 HOH 39 -4.659 -5.257 3.876 1.00 0.00 +ATOM 118 O HOH 40 -9.194 -0.001 -2.536 1.00 0.00 +ATOM 119 H1 HOH 40 -8.589 -0.704 -2.223 1.00 0.00 +ATOM 120 H2 HOH 40 -8.744 0.832 -2.345 1.00 0.00 +ATOM 121 O HOH 41 5.087 2.357 5.594 1.00 0.00 +ATOM 122 H1 HOH 41 4.145 2.609 5.868 1.00 0.00 +ATOM 123 H2 HOH 41 5.185 1.494 5.856 1.00 0.00 +ATOM 124 O HOH 42 -4.683 -6.147 -1.679 1.00 0.00 +ATOM 125 H1 HOH 42 -4.869 -5.961 -0.746 1.00 0.00 +ATOM 126 H2 HOH 42 -4.916 -7.050 -1.813 1.00 0.00 +ATOM 127 O HOH 43 -3.179 -0.054 -3.640 1.00 0.00 +ATOM 128 H1 HOH 43 -2.225 -0.245 -3.524 1.00 0.00 +ATOM 129 H2 HOH 43 -3.604 -0.351 -2.841 1.00 0.00 +ATOM 130 O HOH 44 1.046 2.676 -2.268 1.00 0.00 +ATOM 131 H1 HOH 44 1.843 3.245 -2.357 1.00 0.00 +ATOM 132 H2 HOH 44 1.057 2.363 -1.383 1.00 0.00 +ATOM 133 O HOH 45 -1.412 4.165 -2.732 1.00 0.00 +ATOM 134 H1 HOH 45 -0.521 3.698 -2.666 1.00 0.00 +ATOM 135 H2 HOH 45 -1.383 4.769 -1.944 1.00 0.00 +ATOM 136 O HOH 46 -7.660 -2.122 -1.952 1.00 0.00 +ATOM 137 H1 HOH 46 -8.019 -2.839 -1.356 1.00 0.00 +ATOM 138 H2 HOH 46 -7.442 -2.604 -2.817 1.00 0.00 +ATOM 139 O HOH 47 -1.360 1.967 2.035 1.00 0.00 +ATOM 140 H1 HOH 47 -1.620 2.869 2.312 1.00 0.00 +ATOM 141 H2 HOH 47 -2.179 1.451 1.920 1.00 0.00 +ATOM 142 O HOH 48 6.290 -4.230 -7.656 1.00 0.00 +ATOM 143 H1 HOH 48 6.233 -4.447 -6.717 1.00 0.00 +ATOM 144 H2 HOH 48 6.335 -5.070 -8.050 1.00 0.00 +ATOM 145 O HOH 49 9.159 -0.398 3.519 1.00 0.00 +ATOM 146 H1 HOH 49 9.889 -0.447 2.916 1.00 0.00 +ATOM 147 H2 HOH 49 8.413 -0.023 2.971 1.00 0.00 +ATOM 148 O HOH 50 4.847 -0.826 6.008 1.00 0.00 +ATOM 149 H1 HOH 50 3.902 -0.629 6.020 1.00 0.00 +ATOM 150 H2 HOH 50 5.056 -0.799 5.078 1.00 0.00 +ATOM 151 O HOH 51 -7.285 -3.465 7.597 1.00 0.00 +ATOM 152 H1 HOH 51 -7.607 -3.697 6.732 1.00 0.00 +ATOM 153 H2 HOH 51 -7.133 -2.492 7.565 1.00 0.00 +ATOM 154 O HOH 52 -3.090 -3.803 6.552 1.00 0.00 +ATOM 155 H1 HOH 52 -3.502 -4.557 6.104 1.00 0.00 +ATOM 156 H2 HOH 52 -2.848 -3.218 5.793 1.00 0.00 +ATOM 157 O HOH 53 -0.628 -0.643 -0.688 1.00 0.00 +ATOM 158 H1 HOH 53 -0.750 0.199 -0.182 1.00 0.00 +ATOM 159 H2 HOH 53 0.325 -0.889 -0.564 1.00 0.00 +ATOM 160 O HOH 54 1.167 -6.679 1.145 1.00 0.00 +ATOM 161 H1 HOH 54 0.652 -7.308 0.653 1.00 0.00 +ATOM 162 H2 HOH 54 1.613 -6.178 0.472 1.00 0.00 +ATOM 163 O HOH 55 0.886 -7.185 3.758 1.00 0.00 +ATOM 164 H1 HOH 55 1.236 -8.069 3.709 1.00 0.00 +ATOM 165 H2 HOH 55 0.920 -6.831 2.841 1.00 0.00 +ATOM 166 O HOH 56 2.135 0.084 6.041 1.00 0.00 +ATOM 167 H1 HOH 56 1.885 0.433 5.160 1.00 0.00 +ATOM 168 H2 HOH 56 1.679 -0.767 6.079 1.00 0.00 +ATOM 169 O HOH 57 0.184 0.302 8.421 1.00 0.00 +ATOM 170 H1 HOH 57 -0.716 0.418 8.707 1.00 0.00 +ATOM 171 H2 HOH 57 0.445 -0.630 8.637 1.00 0.00 +ATOM 172 O HOH 58 -3.149 -1.997 -5.795 1.00 0.00 +ATOM 173 H1 HOH 58 -3.232 -1.461 -5.013 1.00 0.00 +ATOM 174 H2 HOH 58 -3.477 -1.481 -6.557 1.00 0.00 +ATOM 175 O HOH 59 2.201 -0.482 -6.617 1.00 0.00 +ATOM 176 H1 HOH 59 1.368 -0.946 -6.453 1.00 0.00 +ATOM 177 H2 HOH 59 2.705 -1.216 -6.954 1.00 0.00 +ATOM 178 O HOH 60 -1.572 -2.002 4.844 1.00 0.00 +ATOM 179 H1 HOH 60 -0.747 -2.095 5.356 1.00 0.00 +ATOM 180 H2 HOH 60 -1.852 -1.078 5.002 1.00 0.00 +ATOM 181 O HOH 61 5.400 6.380 -8.004 1.00 0.00 +ATOM 182 H1 HOH 61 5.037 7.155 -7.526 1.00 0.00 +ATOM 183 H2 HOH 61 5.148 5.594 -7.490 1.00 0.00 +ATOM 184 O HOH 62 -6.338 5.728 -1.743 1.00 0.00 +ATOM 185 H1 HOH 62 -6.067 4.771 -1.768 1.00 0.00 +ATOM 186 H2 HOH 62 -5.664 6.129 -2.295 1.00 0.00 +ATOM 187 O HOH 63 -2.100 -2.775 0.706 1.00 0.00 +ATOM 188 H1 HOH 63 -1.406 -3.020 1.364 1.00 0.00 +ATOM 189 H2 HOH 63 -1.688 -2.182 0.070 1.00 0.00 +ATOM 190 O HOH 64 -0.008 5.633 1.418 1.00 0.00 +ATOM 191 H1 HOH 64 -0.737 5.003 1.551 1.00 0.00 +ATOM 192 H2 HOH 64 -0.256 6.473 1.771 1.00 0.00 +ATOM 193 O HOH 65 3.960 -1.908 -1.971 1.00 0.00 +ATOM 194 H1 HOH 65 4.389 -1.569 -1.158 1.00 0.00 +ATOM 195 H2 HOH 65 3.764 -1.183 -2.532 1.00 0.00 +ATOM 196 O HOH 66 0.396 -2.409 8.942 1.00 0.00 +ATOM 197 H1 HOH 66 -0.496 -2.716 8.996 1.00 0.00 +ATOM 198 H2 HOH 66 0.843 -2.715 9.772 1.00 0.00 +ATOM 199 O HOH 67 -5.904 -3.598 -7.198 1.00 0.00 +ATOM 200 H1 HOH 67 -5.391 -4.021 -7.836 1.00 0.00 +ATOM 201 H2 HOH 67 -6.856 -3.905 -7.407 1.00 0.00 +ATOM 202 O HOH 68 4.776 3.286 -0.543 1.00 0.00 +ATOM 203 H1 HOH 68 4.503 3.668 -1.420 1.00 0.00 +ATOM 204 H2 HOH 68 4.308 3.804 0.151 1.00 0.00 +ATOM 205 O HOH 69 1.810 1.667 -8.491 1.00 0.00 +ATOM 206 H1 HOH 69 1.048 1.572 -9.074 1.00 0.00 +ATOM 207 H2 HOH 69 1.737 0.971 -7.784 1.00 0.00 +ATOM 208 O HOH 70 -6.984 8.521 4.996 1.00 0.00 +ATOM 209 H1 HOH 70 -6.319 9.034 4.547 1.00 0.00 +ATOM 210 H2 HOH 70 -6.786 7.567 5.127 1.00 0.00 +ATOM 211 O HOH 71 8.036 -7.667 5.624 1.00 0.00 +ATOM 212 H1 HOH 71 8.944 -7.942 5.438 1.00 0.00 +ATOM 213 H2 HOH 71 8.006 -7.115 6.374 1.00 0.00 +ATOM 214 O HOH 72 -2.369 4.402 2.749 1.00 0.00 +ATOM 215 H1 HOH 72 -2.101 4.193 3.659 1.00 0.00 +ATOM 216 H2 HOH 72 -3.291 4.630 2.773 1.00 0.00 +ATOM 217 O HOH 73 7.332 0.910 8.635 1.00 0.00 +ATOM 218 H1 HOH 73 6.493 0.534 8.784 1.00 0.00 +ATOM 219 H2 HOH 73 7.141 1.869 8.632 1.00 0.00 +ATOM 220 O HOH 74 0.369 1.474 4.008 1.00 0.00 +ATOM 221 H1 HOH 74 -0.105 1.445 4.853 1.00 0.00 +ATOM 222 H2 HOH 74 -0.369 1.533 3.336 1.00 0.00 +ATOM 223 O HOH 75 5.767 -9.208 5.731 1.00 0.00 +ATOM 224 H1 HOH 75 5.445 -9.395 6.580 1.00 0.00 +ATOM 225 H2 HOH 75 6.702 -8.805 5.685 1.00 0.00 +ATOM 226 O HOH 76 4.162 -2.372 0.781 1.00 0.00 +ATOM 227 H1 HOH 76 4.495 -2.247 1.647 1.00 0.00 +ATOM 228 H2 HOH 76 3.609 -3.133 0.711 1.00 0.00 +ATOM 229 O HOH 77 -1.983 -6.868 -7.665 1.00 0.00 +ATOM 230 H1 HOH 77 -1.149 -6.836 -8.203 1.00 0.00 +ATOM 231 H2 HOH 77 -2.094 -5.962 -7.318 1.00 0.00 +ATOM 232 O HOH 78 -4.374 -7.889 1.779 1.00 0.00 +ATOM 233 H1 HOH 78 -3.642 -7.300 1.538 1.00 0.00 +ATOM 234 H2 HOH 78 -5.071 -7.407 1.392 1.00 0.00 +ATOM 235 O HOH 79 5.161 6.852 4.554 1.00 0.00 +ATOM 236 H1 HOH 79 5.392 7.675 4.897 1.00 0.00 +ATOM 237 H2 HOH 79 5.444 6.815 3.631 1.00 0.00 +ATOM 238 O HOH 80 -9.138 9.041 -8.058 1.00 0.00 +ATOM 239 H1 HOH 80 -8.630 9.855 -7.946 1.00 0.00 +ATOM 240 H2 HOH 80 -9.127 8.772 -9.011 1.00 0.00 +ATOM 241 O HOH 81 -5.687 -0.393 5.354 1.00 0.00 +ATOM 242 H1 HOH 81 -6.067 0.366 4.992 1.00 0.00 +ATOM 243 H2 HOH 81 -5.831 -0.447 6.338 1.00 0.00 +ATOM 244 O HOH 82 1.031 2.281 0.575 1.00 0.00 +ATOM 245 H1 HOH 82 0.182 2.216 1.029 1.00 0.00 +ATOM 246 H2 HOH 82 1.469 3.073 0.944 1.00 0.00 +ATOM 247 O HOH 83 -5.344 -9.069 -7.701 1.00 0.00 +ATOM 248 H1 HOH 83 -6.076 -8.559 -8.046 1.00 0.00 +ATOM 249 H2 HOH 83 -5.531 -9.974 -8.022 1.00 0.00 +ATOM 250 O HOH 84 1.744 -4.694 -7.741 1.00 0.00 +ATOM 251 H1 HOH 84 1.332 -4.686 -6.836 1.00 0.00 +ATOM 252 H2 HOH 84 2.349 -3.997 -7.787 1.00 0.00 +ATOM 253 O HOH 85 5.038 8.639 -6.175 1.00 0.00 +ATOM 254 H1 HOH 85 5.785 9.177 -6.374 1.00 0.00 +ATOM 255 H2 HOH 85 5.210 8.228 -5.345 1.00 0.00 +ATOM 256 O HOH 86 -0.023 8.844 -3.570 1.00 0.00 +ATOM 257 H1 HOH 86 -0.459 9.203 -4.426 1.00 0.00 +ATOM 258 H2 HOH 86 0.776 8.381 -3.782 1.00 0.00 +ATOM 259 O HOH 87 -1.668 -9.035 -5.632 1.00 0.00 +ATOM 260 H1 HOH 87 -1.508 -8.745 -6.515 1.00 0.00 +ATOM 261 H2 HOH 87 -2.505 -8.575 -5.447 1.00 0.00 +ATOM 262 O HOH 88 -1.025 -4.139 2.924 1.00 0.00 +ATOM 263 H1 HOH 88 -1.638 -3.581 3.380 1.00 0.00 +ATOM 264 H2 HOH 88 -0.344 -4.419 3.603 1.00 0.00 +ATOM 265 O HOH 89 6.772 -9.275 -0.062 1.00 0.00 +ATOM 266 H1 HOH 89 6.321 -8.407 0.016 1.00 0.00 +ATOM 267 H2 HOH 89 7.220 -9.351 0.768 1.00 0.00 +ATOM 268 O HOH 90 -5.260 5.074 2.814 1.00 0.00 +ATOM 269 H1 HOH 90 -5.317 5.651 2.001 1.00 0.00 +ATOM 270 H2 HOH 90 -5.953 4.419 2.667 1.00 0.00 +ATOM 271 O HOH 91 0.439 -7.109 -3.006 1.00 0.00 +ATOM 272 H1 HOH 91 0.122 -6.760 -2.168 1.00 0.00 +ATOM 273 H2 HOH 91 0.300 -8.047 -3.005 1.00 0.00 +ATOM 274 O HOH 92 4.754 0.068 -8.893 1.00 0.00 +ATOM 275 H1 HOH 92 4.497 -0.819 -8.504 1.00 0.00 +ATOM 276 H2 HOH 92 3.924 0.546 -9.098 1.00 0.00 +ATOM 277 O HOH 93 8.453 -3.238 4.470 1.00 0.00 +ATOM 278 H1 HOH 93 8.534 -2.386 4.151 1.00 0.00 +ATOM 279 H2 HOH 93 9.380 -3.622 4.525 1.00 0.00 +ATOM 280 O HOH 94 -8.562 -3.354 -5.396 1.00 0.00 +ATOM 281 H1 HOH 94 -8.983 -3.218 -6.264 1.00 0.00 +ATOM 282 H2 HOH 94 -7.657 -3.008 -5.367 1.00 0.00 +ATOM 283 O HOH 95 -4.087 -7.007 9.259 1.00 0.00 +ATOM 284 H1 HOH 95 -4.504 -7.764 9.701 1.00 0.00 +ATOM 285 H2 HOH 95 -3.209 -6.941 9.653 1.00 0.00 +ATOM 286 O HOH 96 -2.961 2.902 -4.614 1.00 0.00 +ATOM 287 H1 HOH 96 -3.009 1.975 -4.316 1.00 0.00 +ATOM 288 H2 HOH 96 -2.450 3.376 -3.907 1.00 0.00 +ATOM 289 O HOH 97 -8.496 -3.305 0.422 1.00 0.00 +ATOM 290 H1 HOH 97 -8.208 -3.909 1.155 1.00 0.00 +ATOM 291 H2 HOH 97 -9.382 -3.162 0.529 1.00 0.00 +ATOM 292 O HOH 98 -8.646 7.535 1.955 1.00 0.00 +ATOM 293 H1 HOH 98 -9.207 6.758 1.900 1.00 0.00 +ATOM 294 H2 HOH 98 -8.931 7.852 2.808 1.00 0.00 +ATOM 295 O HOH 99 5.325 0.684 -1.143 1.00 0.00 +ATOM 296 H1 HOH 99 6.163 0.574 -0.698 1.00 0.00 +ATOM 297 H2 HOH 99 4.928 1.523 -0.792 1.00 0.00 +ATOM 298 O HOH 100 -0.302 3.603 -9.202 1.00 0.00 +ATOM 299 H1 HOH 100 0.254 4.336 -9.458 1.00 0.00 +ATOM 300 H2 HOH 100 -0.128 3.520 -8.233 1.00 0.00 +ATOM 301 O HOH 101 -7.609 -7.414 -7.642 1.00 0.00 +ATOM 302 H1 HOH 101 -7.583 -6.832 -8.402 1.00 0.00 +ATOM 303 H2 HOH 101 -7.817 -6.856 -6.873 1.00 0.00 +ATOM 304 O HOH 102 -7.162 -0.866 -7.830 1.00 0.00 +ATOM 305 H1 HOH 102 -6.916 -1.664 -7.366 1.00 0.00 +ATOM 306 H2 HOH 102 -8.117 -0.865 -7.738 1.00 0.00 +ATOM 307 O HOH 103 8.628 -2.873 -7.501 1.00 0.00 +ATOM 308 H1 HOH 103 8.430 -2.014 -7.969 1.00 0.00 +ATOM 309 H2 HOH 103 7.755 -3.342 -7.575 1.00 0.00 +ATOM 310 O HOH 104 0.296 -6.725 -9.137 1.00 0.00 +ATOM 311 H1 HOH 104 0.011 -6.271 -9.953 1.00 0.00 +ATOM 312 H2 HOH 104 0.802 -5.981 -8.711 1.00 0.00 +ATOM 313 O HOH 105 -2.283 4.666 7.799 1.00 0.00 +ATOM 314 H1 HOH 105 -2.473 5.640 7.876 1.00 0.00 +ATOM 315 H2 HOH 105 -1.790 4.332 8.562 1.00 0.00 +ATOM 316 O HOH 106 -5.132 -2.648 0.721 1.00 0.00 +ATOM 317 H1 HOH 106 -4.418 -2.848 1.417 1.00 0.00 +ATOM 318 H2 HOH 106 -5.583 -3.451 0.568 1.00 0.00 +ATOM 319 O HOH 107 3.597 -7.110 -8.571 1.00 0.00 +ATOM 320 H1 HOH 107 3.557 -6.612 -7.707 1.00 0.00 +ATOM 321 H2 HOH 107 2.931 -6.774 -9.116 1.00 0.00 +ATOM 322 O HOH 108 -8.608 -8.319 3.526 1.00 0.00 +ATOM 323 H1 HOH 108 -7.992 -8.997 3.888 1.00 0.00 +ATOM 324 H2 HOH 108 -8.438 -8.243 2.566 1.00 0.00 +ATOM 325 O HOH 109 -6.941 8.524 -4.898 1.00 0.00 +ATOM 326 H1 HOH 109 -6.037 8.201 -4.795 1.00 0.00 +ATOM 327 H2 HOH 109 -6.826 9.016 -5.706 1.00 0.00 +ATOM 328 O HOH 110 -8.618 2.117 0.328 1.00 0.00 +ATOM 329 H1 HOH 110 -9.507 2.587 0.268 1.00 0.00 +ATOM 330 H2 HOH 110 -8.802 1.370 0.915 1.00 0.00 +ATOM 331 O HOH 111 -6.703 -7.096 5.720 1.00 0.00 +ATOM 332 H1 HOH 111 -6.345 -7.797 5.144 1.00 0.00 +ATOM 333 H2 HOH 111 -7.115 -7.623 6.408 1.00 0.00 +ATOM 334 O HOH 112 -4.243 1.635 -7.536 1.00 0.00 +ATOM 335 H1 HOH 112 -3.372 1.373 -7.866 1.00 0.00 +ATOM 336 H2 HOH 112 -4.520 2.387 -8.161 1.00 0.00 +ATOM 337 O HOH 113 -4.209 -8.163 -5.306 1.00 0.00 +ATOM 338 H1 HOH 113 -4.273 -7.181 -5.411 1.00 0.00 +ATOM 339 H2 HOH 113 -4.501 -8.381 -6.200 1.00 0.00 +ATOM 340 O HOH 114 6.037 3.308 -8.447 1.00 0.00 +ATOM 341 H1 HOH 114 5.046 3.370 -8.401 1.00 0.00 +ATOM 342 H2 HOH 114 6.249 2.483 -8.061 1.00 0.00 +ATOM 343 O HOH 115 1.855 -0.633 0.513 1.00 0.00 +ATOM 344 H1 HOH 115 2.810 -0.778 0.512 1.00 0.00 +ATOM 345 H2 HOH 115 1.713 0.210 0.906 1.00 0.00 +ATOM 346 O HOH 116 -0.350 -0.799 -3.447 1.00 0.00 +ATOM 347 H1 HOH 116 -0.639 -0.602 -2.521 1.00 0.00 +ATOM 348 H2 HOH 116 -0.468 -1.735 -3.577 1.00 0.00 +ATOM 349 O HOH 117 2.557 6.236 4.285 1.00 0.00 +ATOM 350 H1 HOH 117 1.909 6.451 4.910 1.00 0.00 +ATOM 351 H2 HOH 117 3.454 6.494 4.590 1.00 0.00 +ATOM 352 O HOH 118 -7.374 -8.763 -2.641 1.00 0.00 +ATOM 353 H1 HOH 118 -7.322 -9.154 -3.510 1.00 0.00 +ATOM 354 H2 HOH 118 -7.997 -9.286 -2.168 1.00 0.00 +ATOM 355 O HOH 119 5.102 -2.717 7.917 1.00 0.00 +ATOM 356 H1 HOH 119 5.105 -2.075 7.214 1.00 0.00 +ATOM 357 H2 HOH 119 5.997 -3.082 7.930 1.00 0.00 +ATOM 358 O HOH 120 0.617 -6.049 -5.430 1.00 0.00 +ATOM 359 H1 HOH 120 0.065 -6.639 -5.953 1.00 0.00 +ATOM 360 H2 HOH 120 0.625 -6.347 -4.518 1.00 0.00 +ATOM 361 O HOH 121 -5.018 6.814 -8.879 1.00 0.00 +ATOM 362 H1 HOH 121 -4.047 6.554 -8.848 1.00 0.00 +ATOM 363 H2 HOH 121 -5.495 6.325 -8.167 1.00 0.00 +ATOM 364 O HOH 122 -3.571 8.179 1.037 1.00 0.00 +ATOM 365 H1 HOH 122 -4.358 7.666 0.884 1.00 0.00 +ATOM 366 H2 HOH 122 -3.813 9.131 1.289 1.00 0.00 +ATOM 367 O HOH 123 -1.089 6.429 -1.100 1.00 0.00 +ATOM 368 H1 HOH 123 -0.958 6.512 -0.129 1.00 0.00 +ATOM 369 H2 HOH 123 -1.425 7.353 -1.265 1.00 0.00 +ATOM 370 O HOH 124 -8.068 3.899 -9.306 1.00 0.00 +ATOM 371 H1 HOH 124 -8.429 4.769 -9.587 1.00 0.00 +ATOM 372 H2 HOH 124 -7.407 4.106 -8.627 1.00 0.00 +ATOM 373 O HOH 125 -7.322 -0.835 1.865 1.00 0.00 +ATOM 374 H1 HOH 125 -6.633 -0.258 1.516 1.00 0.00 +ATOM 375 H2 HOH 125 -7.594 -1.468 1.181 1.00 0.00 +ATOM 376 O HOH 126 6.137 -3.751 -2.944 1.00 0.00 +ATOM 377 H1 HOH 126 5.314 -3.197 -2.837 1.00 0.00 +ATOM 378 H2 HOH 126 6.747 -3.054 -3.268 1.00 0.00 +ATOM 379 O HOH 127 2.833 7.012 0.636 1.00 0.00 +ATOM 380 H1 HOH 127 2.330 7.844 0.881 1.00 0.00 +ATOM 381 H2 HOH 127 2.160 6.335 0.437 1.00 0.00 +ATOM 382 O HOH 128 3.405 -5.843 -5.838 1.00 0.00 +ATOM 383 H1 HOH 128 4.240 -5.687 -5.479 1.00 0.00 +ATOM 384 H2 HOH 128 2.799 -5.627 -5.149 1.00 0.00 +ATOM 385 O HOH 129 4.865 3.938 -5.085 1.00 0.00 +ATOM 386 H1 HOH 129 4.895 2.983 -5.154 1.00 0.00 +ATOM 387 H2 HOH 129 5.751 4.278 -4.809 1.00 0.00 +ATOM 388 O HOH 130 -4.993 -8.656 4.141 1.00 0.00 +ATOM 389 H1 HOH 130 -4.097 -9.036 4.154 1.00 0.00 +ATOM 390 H2 HOH 130 -5.019 -8.186 3.285 1.00 0.00 +ATOM 391 O HOH 131 -9.292 -0.951 7.718 1.00 0.00 +ATOM 392 H1 HOH 131 -10.069 -0.492 8.136 1.00 0.00 +ATOM 393 H2 HOH 131 -8.538 -0.352 7.799 1.00 0.00 +ATOM 394 O HOH 132 5.820 -2.735 3.218 1.00 0.00 +ATOM 395 H1 HOH 132 5.911 -2.123 3.919 1.00 0.00 +ATOM 396 H2 HOH 132 6.270 -3.544 3.552 1.00 0.00 +ATOM 397 O HOH 133 -4.387 7.103 -3.444 1.00 0.00 +ATOM 398 H1 HOH 133 -3.580 6.680 -3.829 1.00 0.00 +ATOM 399 H2 HOH 133 -3.958 7.858 -3.002 1.00 0.00 +ATOM 400 O HOH 134 3.032 2.055 3.352 1.00 0.00 +ATOM 401 H1 HOH 134 2.047 2.003 3.380 1.00 0.00 +ATOM 402 H2 HOH 134 3.178 2.614 4.097 1.00 0.00 +ATOM 403 O HOH 135 7.314 1.186 2.187 1.00 0.00 +ATOM 404 H1 HOH 135 6.925 2.076 2.385 1.00 0.00 +ATOM 405 H2 HOH 135 7.425 1.106 1.167 1.00 0.00 +ATOM 406 O HOH 136 3.077 -6.778 -0.693 1.00 0.00 +ATOM 407 H1 HOH 136 3.016 -7.565 -1.263 1.00 0.00 +ATOM 408 H2 HOH 136 3.761 -6.920 -0.021 1.00 0.00 +ATOM 409 O HOH 137 0.482 1.499 -4.856 1.00 0.00 +ATOM 410 H1 HOH 137 0.708 1.788 -4.008 1.00 0.00 +ATOM 411 H2 HOH 137 -0.146 0.779 -4.804 1.00 0.00 +ATOM 412 O HOH 138 2.657 -0.480 -3.924 1.00 0.00 +ATOM 413 H1 HOH 138 2.571 -0.270 -4.891 1.00 0.00 +ATOM 414 H2 HOH 138 1.808 -0.171 -3.595 1.00 0.00 +ATOM 415 O HOH 139 7.359 3.219 0.063 1.00 0.00 +ATOM 416 H1 HOH 139 7.531 3.124 -0.908 1.00 0.00 +ATOM 417 H2 HOH 139 6.413 3.324 0.053 1.00 0.00 +ATOM 418 O HOH 140 -0.072 -2.194 -6.704 1.00 0.00 +ATOM 419 H1 HOH 140 -0.799 -2.260 -7.333 1.00 0.00 +ATOM 420 H2 HOH 140 -0.033 -2.956 -6.170 1.00 0.00 +ATOM 421 O HOH 141 8.018 3.334 -2.584 1.00 0.00 +ATOM 422 H1 HOH 141 8.927 3.176 -2.999 1.00 0.00 +ATOM 423 H2 HOH 141 7.714 4.088 -3.149 1.00 0.00 +ATOM 424 O HOH 142 -3.175 0.372 5.085 1.00 0.00 +ATOM 425 H1 HOH 142 -3.328 1.279 5.414 1.00 0.00 +ATOM 426 H2 HOH 142 -4.044 -0.022 5.216 1.00 0.00 +ATOM 427 O HOH 143 7.709 -1.775 -4.109 1.00 0.00 +ATOM 428 H1 HOH 143 8.092 -0.993 -3.608 1.00 0.00 +ATOM 429 H2 HOH 143 8.479 -2.226 -4.429 1.00 0.00 +ATOM 430 O HOH 144 -5.099 6.527 5.166 1.00 0.00 +ATOM 431 H1 HOH 144 -4.189 6.950 5.093 1.00 0.00 +ATOM 432 H2 HOH 144 -5.207 6.061 4.289 1.00 0.00 +ATOM 433 O HOH 145 8.893 -0.159 -7.906 1.00 0.00 +ATOM 434 H1 HOH 145 8.405 0.225 -7.122 1.00 0.00 +ATOM 435 H2 HOH 145 8.639 0.460 -8.570 1.00 0.00 +ATOM 436 O HOH 146 -4.263 -5.454 -5.270 1.00 0.00 +ATOM 437 H1 HOH 146 -3.405 -5.209 -5.564 1.00 0.00 +ATOM 438 H2 HOH 146 -4.911 -5.251 -5.952 1.00 0.00 +ATOM 439 O HOH 147 8.883 7.851 4.742 1.00 0.00 +ATOM 440 H1 HOH 147 9.674 8.080 5.221 1.00 0.00 +ATOM 441 H2 HOH 147 8.345 7.269 5.297 1.00 0.00 +ATOM 442 O HOH 148 -0.309 -5.404 -0.774 1.00 0.00 +ATOM 443 H1 HOH 148 0.249 -4.705 -0.532 1.00 0.00 +ATOM 444 H2 HOH 148 -1.094 -5.121 -1.264 1.00 0.00 +ATOM 445 O HOH 149 5.072 -8.090 3.321 1.00 0.00 +ATOM 446 H1 HOH 149 5.125 -8.433 4.296 1.00 0.00 +ATOM 447 H2 HOH 149 4.846 -7.155 3.366 1.00 0.00 +ATOM 448 O HOH 150 0.710 -8.627 -7.212 1.00 0.00 +ATOM 449 H1 HOH 150 0.882 -8.127 -7.970 1.00 0.00 +ATOM 450 H2 HOH 150 1.486 -8.744 -6.660 1.00 0.00 +ATOM 451 O HOH 151 -2.726 8.212 4.098 1.00 0.00 +ATOM 452 H1 HOH 151 -1.889 7.861 4.444 1.00 0.00 +ATOM 453 H2 HOH 151 -2.726 8.156 3.075 1.00 0.00 +ATOM 454 O HOH 152 -2.367 7.081 9.006 1.00 0.00 +ATOM 455 H1 HOH 152 -1.709 7.028 9.733 1.00 0.00 +ATOM 456 H2 HOH 152 -2.233 8.060 8.705 1.00 0.00 +ATOM 457 O HOH 153 6.090 -5.347 -5.159 1.00 0.00 +ATOM 458 H1 HOH 153 6.663 -6.118 -4.931 1.00 0.00 +ATOM 459 H2 HOH 153 6.130 -4.741 -4.369 1.00 0.00 +ATOM 460 O HOH 154 -6.943 5.559 -7.275 1.00 0.00 +ATOM 461 H1 HOH 154 -6.852 5.143 -6.441 1.00 0.00 +ATOM 462 H2 HOH 154 -7.722 6.088 -7.135 1.00 0.00 +ATOM 463 O HOH 155 -6.554 5.680 7.665 1.00 0.00 +ATOM 464 H1 HOH 155 -5.985 5.815 6.863 1.00 0.00 +ATOM 465 H2 HOH 155 -6.073 6.260 8.297 1.00 0.00 +ATOM 466 O HOH 156 -1.773 -7.513 4.829 1.00 0.00 +ATOM 467 H1 HOH 156 -1.111 -7.160 4.268 1.00 0.00 +ATOM 468 H2 HOH 156 -1.281 -8.206 5.239 1.00 0.00 +ATOM 469 O HOH 157 5.088 -1.778 -5.553 1.00 0.00 +ATOM 470 H1 HOH 157 4.758 -1.676 -4.673 1.00 0.00 +ATOM 471 H2 HOH 157 6.001 -1.657 -5.464 1.00 0.00 +ATOM 472 O HOH 158 7.974 -0.053 -0.228 1.00 0.00 +ATOM 473 H1 HOH 158 7.544 -0.925 -0.027 1.00 0.00 +ATOM 474 H2 HOH 158 8.404 -0.258 -1.091 1.00 0.00 +ATOM 475 O HOH 159 2.481 -4.518 -2.565 1.00 0.00 +ATOM 476 H1 HOH 159 2.654 -5.131 -1.870 1.00 0.00 +ATOM 477 H2 HOH 159 2.866 -3.653 -2.218 1.00 0.00 +ATOM 478 O HOH 160 8.941 6.414 -2.284 1.00 0.00 +ATOM 479 H1 HOH 160 8.639 5.765 -2.912 1.00 0.00 +ATOM 480 H2 HOH 160 9.870 6.369 -2.209 1.00 0.00 +ATOM 481 O HOH 161 -5.030 3.860 -9.133 1.00 0.00 +ATOM 482 H1 HOH 161 -4.276 4.457 -8.996 1.00 0.00 +ATOM 483 H2 HOH 161 -5.711 4.362 -9.608 1.00 0.00 +ATOM 484 O HOH 162 -5.791 3.147 -1.317 1.00 0.00 +ATOM 485 H1 HOH 162 -6.436 2.378 -1.382 1.00 0.00 +ATOM 486 H2 HOH 162 -5.191 2.984 -0.504 1.00 0.00 +ATOM 487 O HOH 163 -2.329 -4.533 -2.630 1.00 0.00 +ATOM 488 H1 HOH 163 -3.171 -5.058 -2.576 1.00 0.00 +ATOM 489 H2 HOH 163 -2.499 -3.672 -2.246 1.00 0.00 +ATOM 490 O HOH 164 7.390 6.060 8.753 1.00 0.00 +ATOM 491 H1 HOH 164 6.851 5.658 8.039 1.00 0.00 +ATOM 492 H2 HOH 164 6.789 6.249 9.485 1.00 0.00 +ATOM 493 O HOH 165 -1.734 -4.483 -6.269 1.00 0.00 +ATOM 494 H1 HOH 165 -1.212 -4.704 -5.518 1.00 0.00 +ATOM 495 H2 HOH 165 -2.176 -3.710 -5.905 1.00 0.00 +ATOM 496 O HOH 166 -0.979 4.105 5.515 1.00 0.00 +ATOM 497 H1 HOH 166 -1.509 4.308 6.292 1.00 0.00 +ATOM 498 H2 HOH 166 -0.221 3.585 5.863 1.00 0.00 +ATOM 499 O HOH 167 -2.925 4.250 -7.055 1.00 0.00 +ATOM 500 H1 HOH 167 -2.386 3.828 -7.713 1.00 0.00 +ATOM 501 H2 HOH 167 -2.854 3.619 -6.304 1.00 0.00 +ATOM 502 O HOH 168 -4.193 -1.077 -8.101 1.00 0.00 +ATOM 503 H1 HOH 168 -4.551 -1.839 -8.506 1.00 0.00 +ATOM 504 H2 HOH 168 -4.698 -0.329 -8.425 1.00 0.00 +ATOM 505 O HOH 169 -8.302 -5.937 -5.244 1.00 0.00 +ATOM 506 H1 HOH 169 -8.357 -5.005 -5.460 1.00 0.00 +ATOM 507 H2 HOH 169 -7.765 -5.968 -4.487 1.00 0.00 +ATOM 508 O HOH 170 0.475 2.499 7.103 1.00 0.00 +ATOM 509 H1 HOH 170 0.053 2.668 8.005 1.00 0.00 +ATOM 510 H2 HOH 170 0.928 1.639 7.275 1.00 0.00 +ATOM 511 O HOH 171 0.983 -2.483 6.222 1.00 0.00 +ATOM 512 H1 HOH 171 0.714 -2.387 7.103 1.00 0.00 +ATOM 513 H2 HOH 171 1.073 -3.395 5.953 1.00 0.00 +ATOM 514 O HOH 172 -1.739 6.386 -4.380 1.00 0.00 +ATOM 515 H1 HOH 172 -1.086 7.088 -4.202 1.00 0.00 +ATOM 516 H2 HOH 172 -1.618 5.678 -3.708 1.00 0.00 +ATOM 517 O HOH 173 -8.338 -7.832 7.971 1.00 0.00 +ATOM 518 H1 HOH 173 -8.660 -8.718 7.769 1.00 0.00 +ATOM 519 H2 HOH 173 -9.133 -7.191 7.981 1.00 0.00 +ATOM 520 O HOH 174 3.012 4.410 1.775 1.00 0.00 +ATOM 521 H1 HOH 174 3.088 3.596 2.267 1.00 0.00 +ATOM 522 H2 HOH 174 2.920 5.066 2.466 1.00 0.00 +ATOM 523 O HOH 175 3.835 -2.844 -8.396 1.00 0.00 +ATOM 524 H1 HOH 175 4.123 -2.941 -9.341 1.00 0.00 +ATOM 525 H2 HOH 175 4.550 -3.355 -7.864 1.00 0.00 +ATOM 526 O HOH 176 5.454 1.225 -4.087 1.00 0.00 +ATOM 527 H1 HOH 176 6.075 1.634 -3.481 1.00 0.00 +ATOM 528 H2 HOH 176 4.836 0.886 -3.441 1.00 0.00 +ATOM 529 O HOH 177 1.364 -3.319 1.034 1.00 0.00 +ATOM 530 H1 HOH 177 1.576 -2.519 1.568 1.00 0.00 +ATOM 531 H2 HOH 177 0.786 -3.846 1.612 1.00 0.00 +ATOM 532 O HOH 178 8.425 3.808 -6.918 1.00 0.00 +ATOM 533 H1 HOH 178 9.075 3.928 -7.729 1.00 0.00 +ATOM 534 H2 HOH 178 7.505 3.888 -7.275 1.00 0.00 +ATOM 535 O HOH 179 2.777 -8.590 -5.314 1.00 0.00 +ATOM 536 H1 HOH 179 2.839 -7.702 -5.632 1.00 0.00 +ATOM 537 H2 HOH 179 3.489 -9.124 -5.685 1.00 0.00 +ATOM 538 O HOH 180 2.682 -7.850 6.993 1.00 0.00 +ATOM 539 H1 HOH 180 3.382 -8.376 7.384 1.00 0.00 +ATOM 540 H2 HOH 180 3.009 -6.910 7.029 1.00 0.00 +ATOM 541 O HOH 181 0.959 5.976 8.842 1.00 0.00 +ATOM 542 H1 HOH 181 1.908 5.889 8.681 1.00 0.00 +ATOM 543 H2 HOH 181 0.701 6.300 9.762 1.00 0.00 +ATOM 544 O HOH 182 -3.269 -0.095 2.168 1.00 0.00 +ATOM 545 H1 HOH 182 -3.261 -0.142 3.146 1.00 0.00 +ATOM 546 H2 HOH 182 -2.758 -0.845 1.881 1.00 0.00 +ATOM 547 O HOH 183 -8.343 -5.520 2.186 1.00 0.00 +ATOM 548 H1 HOH 183 -8.240 -5.469 3.127 1.00 0.00 +ATOM 549 H2 HOH 183 -9.326 -5.545 1.936 1.00 0.00 +ATOM 550 O HOH 184 -3.748 2.251 7.121 1.00 0.00 +ATOM 551 H1 HOH 184 -4.751 2.368 7.191 1.00 0.00 +ATOM 552 H2 HOH 184 -3.334 3.091 7.210 1.00 0.00 +ATOM 553 O HOH 185 5.491 -6.805 0.724 1.00 0.00 +ATOM 554 H1 HOH 185 6.053 -6.670 1.517 1.00 0.00 +ATOM 555 H2 HOH 185 5.861 -6.118 0.175 1.00 0.00 +ATOM 556 O HOH 186 -2.313 9.029 -1.341 1.00 0.00 +ATOM 557 H1 HOH 186 -2.862 9.567 -1.983 1.00 0.00 +ATOM 558 H2 HOH 186 -2.931 8.715 -0.682 1.00 0.00 +ATOM 559 O HOH 187 -5.479 0.699 0.492 1.00 0.00 +ATOM 560 H1 HOH 187 -4.847 0.137 0.967 1.00 0.00 +ATOM 561 H2 HOH 187 -5.594 0.350 -0.404 1.00 0.00 +ATOM 562 O HOH 188 -4.084 -6.161 5.301 1.00 0.00 +ATOM 563 H1 HOH 188 -3.506 -6.799 4.940 1.00 0.00 +ATOM 564 H2 HOH 188 -4.630 -6.788 5.863 1.00 0.00 +ATOM 565 O HOH 189 4.659 7.875 -1.282 1.00 0.00 +ATOM 566 H1 HOH 189 5.386 8.309 -0.774 1.00 0.00 +ATOM 567 H2 HOH 189 4.055 7.498 -0.619 1.00 0.00 +ATOM 568 O HOH 190 -0.166 -3.706 -3.657 1.00 0.00 +ATOM 569 H1 HOH 190 -0.908 -4.138 -3.272 1.00 0.00 +ATOM 570 H2 HOH 190 0.514 -4.377 -3.440 1.00 0.00 +ATOM 571 O HOH 191 -5.951 0.171 -2.277 1.00 0.00 +ATOM 572 H1 HOH 191 -5.823 0.714 -3.060 1.00 0.00 +ATOM 573 H2 HOH 191 -6.282 -0.633 -2.620 1.00 0.00 +ATOM 574 O HOH 192 -4.764 -4.232 8.960 1.00 0.00 +ATOM 575 H1 HOH 192 -5.480 -4.134 8.313 1.00 0.00 +ATOM 576 H2 HOH 192 -4.642 -5.206 8.983 1.00 0.00 +ATOM 577 O HOH 193 0.145 -8.934 -0.348 1.00 0.00 +ATOM 578 H1 HOH 193 -0.693 -9.106 -0.806 1.00 0.00 +ATOM 579 H2 HOH 193 0.881 -9.152 -0.962 1.00 0.00 +ATOM 580 O HOH 194 -6.024 6.817 0.677 1.00 0.00 +ATOM 581 H1 HOH 194 -6.335 6.594 -0.147 1.00 0.00 +ATOM 582 H2 HOH 194 -6.795 7.026 1.255 1.00 0.00 +ATOM 583 O HOH 195 -7.976 -4.857 -8.808 1.00 0.00 +ATOM 584 H1 HOH 195 -7.659 -4.428 -9.586 1.00 0.00 +ATOM 585 H2 HOH 195 -8.826 -4.435 -8.650 1.00 0.00 +ATOM 586 O HOH 196 6.091 7.506 -3.794 1.00 0.00 +ATOM 587 H1 HOH 196 6.896 8.024 -3.504 1.00 0.00 +ATOM 588 H2 HOH 196 5.535 7.536 -2.967 1.00 0.00 +ATOM 589 O HOH 197 7.449 5.304 -4.471 1.00 0.00 +ATOM 590 H1 HOH 197 7.018 6.181 -4.365 1.00 0.00 +ATOM 591 H2 HOH 197 8.016 5.286 -5.241 1.00 0.00 +ATOM 592 O HOH 198 -6.900 -5.901 -2.927 1.00 0.00 +ATOM 593 H1 HOH 198 -7.154 -6.838 -2.857 1.00 0.00 +ATOM 594 H2 HOH 198 -5.932 -5.822 -2.739 1.00 0.00 +ATOM 595 O HOH 199 -2.077 -9.026 8.256 1.00 0.00 +ATOM 596 H1 HOH 199 -1.233 -9.035 7.789 1.00 0.00 +ATOM 597 H2 HOH 199 -2.467 -8.111 8.140 1.00 0.00 +ATOM 598 O HOH 200 -5.977 -2.535 3.782 1.00 0.00 +ATOM 599 H1 HOH 200 -5.780 -1.850 4.378 1.00 0.00 +ATOM 600 H2 HOH 200 -6.306 -1.917 3.065 1.00 0.00 +ATOM 601 O HOH 201 2.576 -9.098 -2.268 1.00 0.00 +ATOM 602 H1 HOH 201 3.391 -9.612 -2.195 1.00 0.00 +ATOM 603 H2 HOH 201 2.529 -8.810 -3.194 1.00 0.00 +ATOM 604 O HOH 202 -5.798 4.562 -4.805 1.00 0.00 +ATOM 605 H1 HOH 202 -5.028 4.024 -4.763 1.00 0.00 +ATOM 606 H2 HOH 202 -5.523 5.503 -4.645 1.00 0.00 +ATOM 607 O HOH 203 2.642 3.615 5.573 1.00 0.00 +ATOM 608 H1 HOH 203 1.851 3.465 6.145 1.00 0.00 +ATOM 609 H2 HOH 203 2.533 4.499 5.175 1.00 0.00 +ATOM 610 O HOH 204 8.011 -7.394 -4.619 1.00 0.00 +ATOM 611 H1 HOH 204 8.169 -7.901 -3.820 1.00 0.00 +ATOM 612 H2 HOH 204 8.830 -6.924 -4.810 1.00 0.00 +ATOM 613 O HOH 205 -5.863 0.151 -5.281 1.00 0.00 +ATOM 614 H1 HOH 205 -5.088 0.587 -5.588 1.00 0.00 +ATOM 615 H2 HOH 205 -6.450 0.191 -6.017 1.00 0.00 +ATOM 616 O HOH 206 7.645 -5.999 2.880 1.00 0.00 +ATOM 617 H1 HOH 206 7.086 -5.401 3.352 1.00 0.00 +ATOM 618 H2 HOH 206 7.945 -6.726 3.484 1.00 0.00 +ATOM 619 O HOH 207 -4.127 6.816 -6.252 1.00 0.00 +ATOM 620 H1 HOH 207 -3.484 6.105 -6.419 1.00 0.00 +ATOM 621 H2 HOH 207 -3.581 7.596 -6.033 1.00 0.00 +ATOM 622 O HOH 208 -2.387 0.594 9.139 1.00 0.00 +ATOM 623 H1 HOH 208 -2.910 -0.143 9.526 1.00 0.00 +ATOM 624 H2 HOH 208 -2.860 1.041 8.365 1.00 0.00 +ATOM 625 O HOH 209 6.291 -6.637 -8.831 1.00 0.00 +ATOM 626 H1 HOH 209 5.331 -6.682 -8.839 1.00 0.00 +ATOM 627 H2 HOH 209 6.669 -7.204 -8.167 1.00 0.00 +ATOM 628 O HOH 210 2.510 -8.884 2.290 1.00 0.00 +ATOM 629 H1 HOH 210 2.430 -8.169 1.697 1.00 0.00 +ATOM 630 H2 HOH 210 3.446 -8.960 2.484 1.00 0.00 +ATOM 631 O HOH 211 -9.142 8.039 7.883 1.00 0.00 +ATOM 632 H1 HOH 211 -8.383 7.421 7.829 1.00 0.00 +ATOM 633 H2 HOH 211 -9.916 7.561 8.297 1.00 0.00 +ATOM 634 O HOH 212 7.971 -3.288 7.179 1.00 0.00 +ATOM 635 H1 HOH 212 8.561 -2.572 7.494 1.00 0.00 +ATOM 636 H2 HOH 212 7.985 -3.225 6.216 1.00 0.00 +ATOM 637 O HOH 213 7.974 -6.006 7.682 1.00 0.00 +ATOM 638 H1 HOH 213 8.211 -5.090 7.590 1.00 0.00 +ATOM 639 H2 HOH 213 7.297 -6.051 8.386 1.00 0.00 +ATOM 640 O HOH 214 -1.174 -5.931 7.038 1.00 0.00 +ATOM 641 H1 HOH 214 -1.529 -6.552 6.343 1.00 0.00 +ATOM 642 H2 HOH 214 -1.604 -5.078 6.850 1.00 0.00 +ATOM 643 O HOH 215 5.857 3.613 3.066 1.00 0.00 +ATOM 644 H1 HOH 215 5.145 4.238 2.616 1.00 0.00 +ATOM 645 H2 HOH 215 5.360 3.257 3.827 1.00 0.00 +ATOM 646 Ca Ca 216 -7.511 3.594 2.437 1.00 0.00 +TER +ENDMDL diff --git a/src/data/methanol-box/README b/src/data/methanol-box/README new file mode 100644 index 000000000..8cc8f98e2 --- /dev/null +++ b/src/data/methanol-box/README @@ -0,0 +1 @@ +Methanol box containing 125 molecules from AmberTools. diff --git a/src/data/methanol-box/methanol-box.crd b/src/data/methanol-box/methanol-box.crd new file mode 100644 index 000000000..71f4b05ad --- /dev/null +++ b/src/data/methanol-box/methanol-box.crd @@ -0,0 +1,378 @@ + + 750 + 13.1339400 13.1013960 13.0864693 13.7679400 13.2253960 12.1984693 + 13.4549400 14.1453960 11.6864693 13.6619400 12.3063960 11.6054693 + 15.1089400 13.4103960 12.5944693 15.2259400 13.7773960 13.4744693 + 6.7479400 10.6003960 3.3724693 7.2409400 11.2683960 2.6534693 + 8.0359400 10.6863960 2.1674693 7.5999400 12.1863960 3.1374693 + 6.3079400 11.7103960 1.6944693 5.4029400 11.7483960 2.0134693 + 3.8629400 12.6113960 10.7384693 3.1889400 11.7813960 10.9834693 + 2.2439400 12.2063960 11.3484693 3.6799400 11.2333960 11.7994693 + 2.7539400 10.8813960 9.9884693 3.4959400 10.4283960 9.5834693 + 18.1799400 9.4753960 16.5614693 17.5469400 9.4443960 15.6654693 + 17.4169400 8.4143960 15.3064693 17.9589400 10.1053960 14.8914693 + 16.3549400 9.9163960 16.2534693 15.7429400 9.9483960 15.5144693 + 2.0519400 16.0563960 16.7004693 1.9669400 15.8433960 17.7734693 + 1.8799400 14.7743960 18.0084693 0.9409400 16.1413960 18.0284693 + 2.9039400 16.5603960 18.5454693 3.8239400 16.3053960 18.4454693 + 13.9409400 8.9423960 19.9764693 13.5769400 8.9073960 18.9404693 + 12.9139400 8.0333960 18.8974693 14.3439400 8.8693960 18.1554693 + 12.9169400 10.1383960 18.7464693 13.4829400 10.7213960 18.2354693 + 21.6669400 18.7293960 17.2714693 22.0559400 18.9573960 16.2704693 + 21.1219400 19.0653960 15.7014693 22.7669400 18.1773960 15.9664693 + 22.7389400 20.1353960 16.6354693 22.2459400 20.5383960 17.3534693 + 7.9489400 21.0963960 17.5174693 8.5279400 20.6503960 16.6984693 + 7.9889400 19.8023960 16.2564693 9.3989400 20.0913960 17.0644693 + 8.9299400 21.5723960 15.7104693 9.6999400 21.1073960 15.3744693 + 4.7279400 14.7253960 18.6764693 5.8169400 14.8503960 18.6244693 + 6.2889400 14.2173960 17.8614693 6.2469400 14.5393960 19.5864693 + 6.1219400 16.2203960 18.4894693 6.0469400 16.4633960 19.4154693 + 16.1799400 13.5283960 18.5214693 15.2829400 12.9613960 18.8064693 + 14.4089400 13.5913960 19.0164693 15.5199400 12.1833960 19.5424693 + 15.1249400 12.4153960 17.5164693 15.5499400 11.5573960 17.4414693 + 5.7429400 13.4813960 15.7704693 6.0209400 12.9563960 14.8474693 + 5.9249400 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2.1524693 19.0089400 18.8533960 2.3034693 + 18.8889400 20.0233960 0.7314693 18.4119400 20.7553960 0.3324693 + 13.2469400 17.8003960 8.6574693 13.4609400 18.8493960 8.4114693 + 14.3529400 19.1693960 8.9654693 12.5439400 19.3103960 8.8014693 + 13.4809400 18.9253960 7.0034693 13.0899400 18.1293960 6.6344693 + 1.9839400 6.9173960 11.1814693 2.8549400 7.4703960 11.5574693 + 2.7259400 7.7273960 12.6164693 2.8809400 8.4243960 11.0134693 + 3.9989400 6.6993960 11.2654693 3.7909400 5.8243960 11.6024693 + 13.6099400 2.3543960 7.5394693 12.5889400 1.9643960 7.6464693 + 11.9519400 2.8473960 7.5034693 12.3719400 1.5933960 8.6564693 + 12.3109400 1.0093960 6.6474693 12.8979400 0.2663960 6.8064693 + 16.4409400 9.7393960 12.0844693 17.3269400 9.2323960 11.6794693 + 17.3639400 9.3853960 10.5924693 17.2509400 8.1433960 11.7934693 + 18.5589400 9.7243960 12.1564693 19.0649400 9.8493960 11.3494693 + 10.0909400 12.4343960 10.4114693 10.2619400 11.4333960 9.9954693 + 9.6689400 11.2953960 9.0814693 10.0489400 10.6583960 10.7434693 + 11.6519400 11.3493960 9.7684693 12.0589400 12.2103960 9.8934693 + 21.1419400 3.0413960 21.4874693 21.8159400 3.8363960 21.8314693 + 22.2549400 4.2783960 20.9264693 22.6709400 3.4453960 22.3994693 + 21.2989400 4.7633960 22.7594693 20.7179400 4.3213960 23.3844693 + 1.8299400 5.5973960 8.3284693 1.0089400 5.1433960 7.7574693 + 0.3649400 4.8103960 8.5814693 1.3539400 4.3193960 7.1184693 + 0.2839400 5.9723960 6.8764693 0.9099400 6.5003960 6.3754693 + 6.4679400 6.8533960 20.0754693 6.2839400 7.6963960 19.3954693 + 5.3859400 8.1633960 19.8204693 6.1429400 7.3533960 18.3614693 + 7.3399400 8.6303960 19.4294693 7.9679400 8.4923960 18.7174693 + 20.5939400 20.8573960 6.2364693 21.1799400 21.5023960 5.5694693 + 20.5919400 22.3903960 5.2994693 21.2799400 20.9103960 4.6504693 + 22.4159400 21.9243960 6.1014693 22.9459400 22.2923960 5.3904693 + 12.5409400 6.5953960 2.9704693 13.4289400 7.2413960 2.9844693 + 14.0449400 7.1353960 2.0824693 14.0529400 7.0373960 3.8634693 + 12.9519400 8.5683960 3.0324693 12.5289400 8.6973960 2.1804693 + 18.8929400 2.6803960 8.5314693 19.1449400 1.9773960 7.7264693 + 19.5869400 1.0333960 8.0704693 19.9389400 2.5333960 7.2114693 + 17.9929400 1.7773960 6.9374693 17.6729400 2.5923960 6.5444693 + 5.2309400 15.8993960 2.2124693 4.9299400 16.4993960 1.3434693 + 4.2719400 17.3353960 1.6134693 4.6299400 15.8323960 0.5254693 + 6.0629400 17.0003960 0.6684693 6.3249400 17.7973960 1.1354693 + 18.2229400 22.3713960 13.5524693 17.7549400 23.1933960 12.9944693 + 16.7819400 22.8923960 12.5814693 18.3569400 23.4853960 12.1234693 + 17.7419400 24.2963960 13.8724693 16.8359400 24.4703960 14.1364693 + 1.9079400 8.5113960 16.8364693 0.8999400 8.9453960 16.8744693 + 0.2759400 8.6343960 16.0274693 0.9989400 10.0083960 16.6194693 + 0.3259400 8.8633960 18.1594693 -0.2270600 9.6213960 18.3604693 + 8.6649400 18.3083960 6.0814693 9.3709400 18.3953960 6.9164693 + 10.1999400 19.0683960 6.6614693 9.8269400 17.4893960 7.3364693 + 8.7719400 18.8253960 8.1174693 8.6629400 19.7633960 7.9424693 + 13.8669400 13.9813960 3.3604693 14.2149400 13.1403960 2.7454693 + 13.5159400 13.1393960 1.8984693 14.2049400 12.1853960 3.2884693 + 15.5389400 13.2703960 2.2784693 15.8629400 12.4223960 1.9654693 + 11.6759400 16.8833960 21.5954693 11.6809400 17.3223960 22.6014693 + 10.7379400 17.8703960 22.7274693 12.5669400 17.9473960 22.7714693 + 11.9659400 16.2833960 23.5104693 11.2639400 15.7093960 23.1954693 + 12.4839400 2.6573960 3.6044693 13.3079400 2.8923960 2.9184693 + 14.1609400 2.3673960 3.3684693 13.4409400 3.9733960 3.0574693 + 13.3119400 2.3463960 1.6184693 13.4999400 1.4153960 1.7574693 + 6.7829400 12.0183960 19.3614693 7.4209400 11.8423960 18.4854693 + 8.3589400 11.5393960 18.9694693 7.6969400 12.7903960 18.0034693 + 6.7949400 10.8943960 17.6504693 7.0219400 10.0253960 17.9894693 + 21.9629400 2.7583960 16.2524693 22.3519400 2.7283960 15.2264693 + 21.7989400 2.0103960 14.6064693 23.3989400 2.4523960 15.4114693 + 22.3559400 4.0523960 14.7434693 21.4459400 4.3133960 14.5844693 + 18.6299400 13.2953960 11.5444693 19.5749400 13.0913960 11.0234693 + 19.4289400 12.6433960 10.0324693 20.3289400 12.4823960 11.5404693 + 20.2219400 14.3063960 10.7164693 20.2279400 14.2973960 9.7564693 + 11.0929400 7.7073960 9.8474693 11.5179400 8.1513960 10.7574693 + 11.7199400 7.4123960 11.5434693 10.7149400 8.7873960 11.1524693 + 12.6869400 8.8903960 10.4794693 12.2869400 9.6863960 10.1224693 + 17.8439400 7.5873960 17.7264693 17.2129400 6.6913960 17.8054693 + 16.1919400 6.9813960 17.5214693 17.0219400 6.4203960 18.8524693 + 17.7779400 5.7303960 16.9434693 18.6979400 5.6223960 17.1964693 + 11.8569400 12.8253960 5.9314693 11.0059400 13.5163960 5.9804693 + 11.4949400 14.4323960 5.6224693 10.5479400 13.7103960 6.9594693 + 9.9399400 13.2863960 5.0874693 9.4219400 12.5913960 5.4994693 + 10.0969400 3.4773960 6.1404693 9.4929400 3.1563960 5.2814693 + 10.0609400 3.2523960 4.3474693 8.5529400 3.7083960 5.1484693 + 9.2209400 1.7873960 5.4814693 8.6699400 1.7063960 6.2624693 + 2.2119400 11.1093960 18.5204693 2.9549400 11.9083960 18.6494693 + 3.6019400 11.6323960 19.4924693 2.3799400 12.8283960 18.8194693 + 3.6859400 12.1033960 17.4584693 4.5989400 12.1213960 17.7544693 + 21.9179400 9.2573960 6.2304693 22.2339400 8.7763960 5.2954693 + 23.1449400 9.2193960 4.8724693 21.4569400 8.8413960 4.5224693 + 22.6759400 7.4453960 5.4384693 23.4259400 7.3593960 4.8434693 + 14.4719400 19.0973960 3.5204693 14.5759400 20.1783960 3.3604693 + 15.6249400 20.4283960 3.5664693 13.9189400 20.7123960 4.0614693 + 14.2579400 20.3493960 1.9974693 14.7689400 19.6363960 1.6084693 + 23.6530000 24.2040000 23.4250000 90.0000000 90.0000000 90.0000000 diff --git a/src/data/methanol-box/methanol-box.pdb b/src/data/methanol-box/methanol-box.pdb new file mode 100644 index 000000000..9c2d4213b --- /dev/null +++ b/src/data/methanol-box/methanol-box.pdb @@ -0,0 +1,875 @@ +ATOM 1 HC1 MOH 1 11.529 11.103 11.363 +ATOM 2 C1 MOH 1 12.163 11.227 10.475 +ATOM 3 HC2 MOH 1 11.850 12.147 9.963 +ATOM 4 HC3 MOH 1 12.057 10.308 9.882 +ATOM 5 O1 MOH 1 13.504 11.412 10.871 +ATOM 6 HO1 MOH 1 13.621 11.779 11.751 +TER +ATOM 7 HC1 MOH 2 5.143 8.602 1.649 +ATOM 8 C1 MOH 2 5.636 9.270 0.930 +ATOM 9 HC2 MOH 2 6.431 8.688 0.444 +ATOM 10 HC3 MOH 2 5.995 10.188 1.414 +ATOM 11 O1 MOH 2 4.703 9.712 -0.029 +ATOM 12 HO1 MOH 2 3.798 9.750 0.290 +TER +ATOM 13 HC1 MOH 3 2.258 10.613 9.015 +ATOM 14 C1 MOH 3 1.584 9.783 9.260 +ATOM 15 HC2 MOH 3 0.639 10.208 9.625 +ATOM 16 HC3 MOH 3 2.075 9.235 10.076 +ATOM 17 O1 MOH 3 1.149 8.883 8.265 +ATOM 18 HO1 MOH 3 1.891 8.430 7.860 +TER +ATOM 19 HC1 MOH 4 16.575 7.477 14.838 +ATOM 20 C1 MOH 4 15.942 7.446 13.942 +ATOM 21 HC2 MOH 4 15.812 6.416 13.583 +ATOM 22 HC3 MOH 4 16.354 8.107 13.168 +ATOM 23 O1 MOH 4 14.750 7.918 14.530 +ATOM 24 HO1 MOH 4 14.138 7.950 13.791 +TER +ATOM 25 HC1 MOH 5 0.447 14.058 14.977 +ATOM 26 C1 MOH 5 0.362 13.845 16.050 +ATOM 27 HC2 MOH 5 0.275 12.776 16.285 +ATOM 28 HC3 MOH 5 -0.664 14.143 16.305 +ATOM 29 O1 MOH 5 1.299 14.562 16.822 +ATOM 30 HO1 MOH 5 2.219 14.307 16.722 +TER +ATOM 31 HC1 MOH 6 12.336 6.944 18.253 +ATOM 32 C1 MOH 6 11.972 6.909 17.217 +ATOM 33 HC2 MOH 6 11.309 6.035 17.174 +ATOM 34 HC3 MOH 6 12.739 6.871 16.432 +ATOM 35 O1 MOH 6 11.312 8.140 17.023 +ATOM 36 HO1 MOH 6 11.878 8.723 16.512 +TER +ATOM 37 HC1 MOH 7 20.062 16.731 15.548 +ATOM 38 C1 MOH 7 20.451 16.959 14.547 +ATOM 39 HC2 MOH 7 19.517 17.067 13.978 +ATOM 40 HC3 MOH 7 21.162 16.179 14.243 +ATOM 41 O1 MOH 7 21.134 18.137 14.912 +ATOM 42 HO1 MOH 7 20.641 18.540 15.630 +TER +ATOM 43 HC1 MOH 8 6.344 19.098 15.794 +ATOM 44 C1 MOH 8 6.923 18.652 14.975 +ATOM 45 HC2 MOH 8 6.384 17.804 14.533 +ATOM 46 HC3 MOH 8 7.794 18.093 15.341 +ATOM 47 O1 MOH 8 7.325 19.574 13.987 +ATOM 48 HO1 MOH 8 8.095 19.109 13.651 +TER +ATOM 49 HC1 MOH 9 3.123 12.727 16.953 +ATOM 50 C1 MOH 9 4.212 12.852 16.901 +ATOM 51 HC2 MOH 9 4.684 12.219 16.138 +ATOM 52 HC3 MOH 9 4.642 12.541 17.863 +ATOM 53 O1 MOH 9 4.517 14.222 16.766 +ATOM 54 HO1 MOH 9 4.442 14.465 17.692 +TER +ATOM 55 HC1 MOH 10 14.575 11.530 16.798 +ATOM 56 C1 MOH 10 13.678 10.963 17.083 +ATOM 57 HC2 MOH 10 12.804 11.593 17.293 +ATOM 58 HC3 MOH 10 13.915 10.185 17.819 +ATOM 59 O1 MOH 10 13.520 10.417 15.793 +ATOM 60 HO1 MOH 10 13.945 9.559 15.718 +TER +ATOM 61 HC1 MOH 11 4.138 11.483 14.047 +ATOM 62 C1 MOH 11 4.416 10.958 13.124 +ATOM 63 HC2 MOH 11 4.320 11.605 12.241 +ATOM 64 HC3 MOH 11 3.830 10.033 13.049 +ATOM 65 O1 MOH 11 5.709 10.447 13.361 +ATOM 66 HO1 MOH 11 5.657 9.890 14.141 +TER +ATOM 67 HC1 MOH 12 10.748 3.490 14.436 +ATOM 68 C1 MOH 12 10.771 2.828 13.560 +ATOM 69 HC2 MOH 12 11.148 3.426 12.721 +ATOM 70 HC3 MOH 12 9.827 2.297 13.384 +ATOM 71 O1 MOH 12 11.799 1.894 13.802 +ATOM 72 HO1 MOH 12 12.633 2.314 13.577 +TER +ATOM 73 HC1 MOH 13 3.997 6.864 0.358 +ATOM 74 C1 MOH 13 4.236 6.096 1.105 +ATOM 75 HC2 MOH 13 5.123 6.432 1.659 +ATOM 76 HC3 MOH 13 4.412 5.169 0.543 +ATOM 77 O1 MOH 13 3.156 6.024 2.009 +ATOM 78 HO1 MOH 13 2.410 5.715 1.491 +TER +ATOM 79 HC1 MOH 14 5.069 18.344 4.627 +ATOM 80 C1 MOH 14 4.962 19.208 5.297 +ATOM 81 HC2 MOH 14 4.235 18.990 6.091 +ATOM 82 HC3 MOH 14 4.614 20.071 4.714 +ATOM 83 O1 MOH 14 6.208 19.626 5.808 +ATOM 84 HO1 MOH 14 6.088 20.525 6.122 +TER +ATOM 85 HC1 MOH 15 4.029 20.228 13.925 +ATOM 86 C1 MOH 15 3.399 19.444 14.367 +ATOM 87 HC2 MOH 15 2.681 19.916 15.051 +ATOM 88 HC3 MOH 15 3.894 18.580 14.829 +ATOM 89 O1 MOH 15 2.694 18.888 13.281 +ATOM 90 HO1 MOH 15 1.926 18.413 13.606 +TER +ATOM 91 HC1 MOH 16 20.493 11.135 12.332 +ATOM 92 C1 MOH 16 19.931 10.651 13.142 +ATOM 93 HC2 MOH 16 20.250 9.605 13.239 +ATOM 94 HC3 MOH 16 18.878 10.622 12.830 +ATOM 95 O1 MOH 16 20.171 11.201 14.418 +ATOM 96 HO1 MOH 16 21.010 10.993 14.836 +TER +ATOM 97 HC1 MOH 17 8.591 15.069 12.577 +ATOM 98 C1 MOH 17 9.647 14.944 12.849 +ATOM 99 HC2 MOH 17 9.875 13.870 12.814 +ATOM 100 HC3 MOH 17 9.681 15.350 13.869 +ATOM 101 O1 MOH 17 10.576 15.565 11.989 +ATOM 102 HO1 MOH 17 10.148 16.135 11.345 +TER +ATOM 103 HC1 MOH 18 2.923 0.490 9.748 +ATOM 104 C1 MOH 18 2.037 0.743 10.346 +ATOM 105 HC2 MOH 18 2.214 0.184 11.274 +ATOM 106 HC3 MOH 18 1.152 0.341 9.835 +ATOM 107 O1 MOH 18 1.817 2.105 10.638 +ATOM 108 HO1 MOH 18 1.347 2.226 11.466 +TER +ATOM 109 HC1 MOH 19 17.840 14.736 14.967 +ATOM 110 C1 MOH 19 17.292 15.451 15.594 +ATOM 111 HC2 MOH 19 16.496 15.898 14.983 +ATOM 112 HC3 MOH 19 17.955 16.254 15.943 +ATOM 113 O1 MOH 19 16.738 14.803 16.717 +ATOM 114 HO1 MOH 19 17.159 13.952 16.862 +TER +ATOM 115 HC1 MOH 20 15.940 2.969 6.217 +ATOM 116 C1 MOH 20 15.812 3.264 5.167 +ATOM 117 HC2 MOH 20 15.929 4.353 5.250 +ATOM 118 HC3 MOH 20 14.847 2.886 4.805 +ATOM 119 O1 MOH 20 16.751 2.666 4.301 +ATOM 120 HO1 MOH 20 17.523 3.170 4.568 +TER +ATOM 121 HC1 MOH 21 1.373 9.303 2.587 +ATOM 122 C1 MOH 21 2.003 9.995 2.013 +ATOM 123 HC2 MOH 21 2.979 9.944 2.515 +ATOM 124 HC3 MOH 21 1.535 10.988 2.055 +ATOM 125 O1 MOH 21 2.056 9.547 0.677 +ATOM 126 HO1 MOH 21 1.462 10.146 0.220 +TER +ATOM 127 HC1 MOH 22 14.341 15.437 8.374 +ATOM 128 C1 MOH 22 13.899 14.726 9.085 +ATOM 129 HC2 MOH 22 12.931 15.198 9.299 +ATOM 130 HC3 MOH 22 14.385 14.771 10.069 +ATOM 131 O1 MOH 22 13.850 13.455 8.476 +ATOM 132 HO1 MOH 22 13.845 12.811 9.188 +TER +ATOM 133 HC1 MOH 23 3.215 6.446 5.024 +ATOM 134 C1 MOH 23 2.687 7.125 5.706 +ATOM 135 HC2 MOH 23 1.813 6.642 6.163 +ATOM 136 HC3 MOH 23 2.395 8.066 5.220 +ATOM 137 O1 MOH 23 3.514 7.559 6.763 +ATOM 138 HO1 MOH 23 4.094 6.874 7.104 +TER +ATOM 139 HC1 MOH 24 1.967 6.279 19.674 +ATOM 140 C1 MOH 24 0.973 5.909 19.956 +ATOM 141 HC2 MOH 24 0.599 5.413 19.050 +ATOM 142 HC3 MOH 24 0.392 6.742 20.375 +ATOM 143 O1 MOH 24 1.125 4.894 20.923 +ATOM 144 HO1 MOH 24 0.436 4.226 20.887 +TER +ATOM 145 HC1 MOH 25 7.190 11.216 19.994 +ATOM 146 C1 MOH 25 7.184 12.278 20.271 +ATOM 147 HC2 MOH 25 6.180 12.556 20.619 +ATOM 148 HC3 MOH 25 7.479 12.940 19.446 +ATOM 149 O1 MOH 25 8.149 12.600 21.248 +ATOM 150 HO1 MOH 25 8.095 12.051 22.034 +TER +ATOM 151 HC1 MOH 26 2.843 16.722 4.284 +ATOM 152 C1 MOH 26 2.072 16.019 3.943 +ATOM 153 HC2 MOH 26 2.136 15.918 2.852 +ATOM 154 HC3 MOH 26 1.112 16.410 4.303 +ATOM 155 O1 MOH 26 2.330 14.733 4.461 +ATOM 156 HO1 MOH 26 3.087 14.479 3.927 +TER +ATOM 157 HC1 MOH 27 6.658 17.988 18.607 +ATOM 158 C1 MOH 27 6.794 17.191 17.864 +ATOM 159 HC2 MOH 27 7.173 16.298 18.378 +ATOM 160 HC3 MOH 27 7.554 17.539 17.151 +ATOM 161 O1 MOH 27 5.622 16.830 17.169 +ATOM 162 HO1 MOH 27 5.756 16.105 16.554 +TER +ATOM 163 HC1 MOH 28 11.844 1.825 10.564 +ATOM 164 C1 MOH 28 11.948 0.910 9.966 +ATOM 165 HC2 MOH 28 11.310 0.099 10.342 +ATOM 166 HC3 MOH 28 12.979 0.545 9.868 +ATOM 167 O1 MOH 28 11.454 1.334 8.715 +ATOM 168 HO1 MOH 28 12.149 1.966 8.519 +TER +ATOM 169 HC1 MOH 29 11.519 18.704 14.407 +ATOM 170 C1 MOH 29 11.033 19.311 13.632 +ATOM 171 HC2 MOH 29 11.823 19.580 12.919 +ATOM 172 HC3 MOH 29 10.684 20.250 14.083 +ATOM 173 O1 MOH 29 9.957 18.630 13.028 +ATOM 174 HO1 MOH 29 10.237 17.711 13.030 +TER +ATOM 175 HC1 MOH 30 17.260 4.629 12.516 +ATOM 176 C1 MOH 30 18.237 4.449 12.048 +ATOM 177 HC2 MOH 30 19.076 4.955 12.544 +ATOM 178 HC3 MOH 30 18.100 4.774 11.008 +ATOM 179 O1 MOH 30 18.581 3.083 12.076 +ATOM 180 HO1 MOH 30 17.795 2.611 11.792 +TER +ATOM 181 HC1 MOH 31 15.550 2.049 8.207 +ATOM 182 C1 MOH 31 15.077 2.807 8.846 +ATOM 183 HC2 MOH 31 15.768 3.660 8.858 +ATOM 184 HC3 MOH 31 14.988 2.535 9.906 +ATOM 185 O1 MOH 31 13.798 3.161 8.370 +ATOM 186 HO1 MOH 31 13.810 4.088 8.122 +TER +ATOM 187 HC1 MOH 32 15.532 19.313 13.650 +ATOM 188 C1 MOH 32 15.489 18.225 13.512 +ATOM 189 HC2 MOH 32 14.686 17.939 12.819 +ATOM 190 HC3 MOH 32 15.353 17.820 14.524 +ATOM 191 O1 MOH 32 16.716 17.752 13.004 +ATOM 192 HO1 MOH 32 16.703 17.753 12.044 +TER +ATOM 193 HC1 MOH 33 18.646 5.487 0.515 +ATOM 194 C1 MOH 33 17.998 5.893 -0.273 +ATOM 195 HC2 MOH 33 17.148 5.208 -0.390 +ATOM 196 HC3 MOH 33 18.606 5.915 -1.187 +ATOM 197 O1 MOH 33 17.512 7.133 0.191 +ATOM 198 HO1 MOH 33 17.758 7.225 1.114 +TER +ATOM 199 HC1 MOH 34 17.643 18.739 15.460 +ATOM 200 C1 MOH 34 18.392 19.502 15.711 +ATOM 201 HC2 MOH 34 17.796 20.370 16.019 +ATOM 202 HC3 MOH 34 19.007 19.678 14.819 +ATOM 203 O1 MOH 34 19.192 18.970 16.743 +ATOM 204 HO1 MOH 34 18.678 18.900 17.551 +TER +ATOM 205 HC1 MOH 35 16.502 0.310 2.444 +ATOM 206 C1 MOH 35 16.549 0.912 1.526 +ATOM 207 HC2 MOH 35 15.540 1.285 1.304 +ATOM 208 HC3 MOH 35 16.737 0.210 0.704 +ATOM 209 O1 MOH 35 17.279 2.113 1.644 +ATOM 210 HO1 MOH 35 17.151 2.436 2.539 +TER +ATOM 211 HC1 MOH 36 4.089 10.686 7.970 +ATOM 212 C1 MOH 36 4.414 11.030 6.979 +ATOM 213 HC2 MOH 36 5.310 11.657 7.077 +ATOM 214 HC3 MOH 36 3.649 11.589 6.424 +ATOM 215 O1 MOH 36 4.807 9.922 6.201 +ATOM 216 HO1 MOH 36 4.261 9.205 6.529 +TER +ATOM 217 HC1 MOH 37 8.885 9.270 19.129 +ATOM 218 C1 MOH 37 8.606 8.253 19.435 +ATOM 219 HC2 MOH 37 7.788 7.839 18.831 +ATOM 220 HC3 MOH 37 8.252 8.289 20.474 +ATOM 221 O1 MOH 37 9.784 7.486 19.326 +ATOM 222 HO1 MOH 37 10.327 7.745 18.578 +TER +ATOM 223 HC1 MOH 38 7.898 8.839 15.320 +ATOM 224 C1 MOH 38 8.918 9.243 15.359 +ATOM 225 HC2 MOH 38 9.642 8.488 15.023 +ATOM 226 HC3 MOH 38 9.204 9.372 16.411 +ATOM 227 O1 MOH 38 8.953 10.482 14.686 +ATOM 228 HO1 MOH 38 9.496 11.039 15.248 +TER +ATOM 229 HC1 MOH 39 3.005 19.354 8.316 +ATOM 230 C1 MOH 39 2.597 18.342 8.188 +ATOM 231 HC2 MOH 39 3.382 17.575 8.142 +ATOM 232 HC3 MOH 39 2.015 18.250 7.262 +ATOM 233 O1 MOH 39 1.806 18.213 9.348 +ATOM 234 HO1 MOH 39 2.546 18.335 9.948 +TER +ATOM 235 HC1 MOH 40 6.136 3.575 6.573 +ATOM 236 C1 MOH 40 6.447 2.581 6.921 +ATOM 237 HC2 MOH 40 6.236 2.536 7.998 +ATOM 238 HC3 MOH 40 7.492 2.290 6.750 +ATOM 239 O1 MOH 40 5.530 1.659 6.376 +ATOM 240 HO1 MOH 40 4.637 1.993 6.489 +TER +ATOM 241 HC1 MOH 41 8.466 13.488 14.939 +ATOM 242 C1 MOH 41 7.498 13.315 15.429 +ATOM 243 HC2 MOH 41 7.762 13.266 16.493 +ATOM 244 HC3 MOH 41 7.011 12.401 15.065 +ATOM 245 O1 MOH 41 6.716 14.419 15.029 +ATOM 246 HO1 MOH 41 5.803 14.218 15.245 +TER +ATOM 247 HC1 MOH 42 14.696 7.964 2.126 +ATOM 248 C1 MOH 42 14.226 7.809 1.146 +ATOM 249 HC2 MOH 42 13.179 8.128 1.241 +ATOM 250 HC3 MOH 42 14.254 6.750 0.857 +ATOM 251 O1 MOH 42 14.970 8.607 0.253 +ATOM 252 HO1 MOH 42 15.837 8.195 0.275 +TER +ATOM 253 HC1 MOH 43 8.704 8.317 5.746 +ATOM 254 C1 MOH 43 7.948 8.090 4.984 +ATOM 255 HC2 MOH 43 7.330 7.260 5.351 +ATOM 256 HC3 MOH 43 8.448 7.872 4.031 +ATOM 257 O1 MOH 43 7.169 9.212 4.633 +ATOM 258 HO1 MOH 43 6.545 9.358 5.348 +TER +ATOM 259 HC1 MOH 44 12.046 6.877 11.534 +ATOM 260 C1 MOH 44 12.048 7.954 11.751 +ATOM 261 HC2 MOH 44 11.208 8.344 12.340 +ATOM 262 HC3 MOH 44 11.977 8.533 10.821 +ATOM 263 O1 MOH 44 13.263 8.237 12.408 +ATOM 264 HO1 MOH 44 13.482 9.167 12.310 +TER +ATOM 265 HC1 MOH 45 10.007 15.221 17.905 +ATOM 266 C1 MOH 45 10.434 15.528 16.942 +ATOM 267 HC2 MOH 45 10.783 16.568 17.003 +ATOM 268 HC3 MOH 45 9.551 15.516 16.290 +ATOM 269 O1 MOH 45 11.405 14.544 16.666 +ATOM 270 HO1 MOH 45 12.258 14.958 16.817 +TER +ATOM 271 HC1 MOH 46 19.498 16.371 18.871 +ATOM 272 C1 MOH 46 19.952 15.973 19.788 +ATOM 273 HC2 MOH 46 19.201 15.871 20.583 +ATOM 274 HC3 MOH 46 20.705 16.707 20.103 +ATOM 275 O1 MOH 46 20.565 14.734 19.506 +ATOM 276 HO1 MOH 46 20.756 14.664 18.568 +TER +ATOM 277 HC1 MOH 47 8.352 7.345 12.858 +ATOM 278 C1 MOH 47 7.379 7.342 12.349 +ATOM 279 HC2 MOH 47 7.446 7.322 11.254 +ATOM 280 HC3 MOH 47 6.769 8.193 12.681 +ATOM 281 O1 MOH 47 6.592 6.250 12.767 +ATOM 282 HO1 MOH 47 5.649 6.433 12.766 +TER +ATOM 283 HC1 MOH 48 10.470 2.802 4.998 +ATOM 284 C1 MOH 48 10.224 3.603 5.708 +ATOM 285 HC2 MOH 48 10.937 4.438 5.678 +ATOM 286 HC3 MOH 48 10.099 3.149 6.700 +ATOM 287 O1 MOH 48 9.015 4.149 5.230 +ATOM 288 HO1 MOH 48 9.089 4.277 4.281 +TER +ATOM 289 HC1 MOH 49 18.778 13.777 2.317 +ATOM 290 C1 MOH 49 19.792 14.191 2.397 +ATOM 291 HC2 MOH 49 19.987 14.157 3.477 +ATOM 292 HC3 MOH 49 19.647 15.221 2.045 +ATOM 293 O1 MOH 49 20.689 13.547 1.520 +ATOM 294 HO1 MOH 49 20.517 13.932 0.657 +TER +ATOM 295 HC1 MOH 50 18.790 10.515 0.753 +ATOM 296 C1 MOH 50 19.162 10.950 -0.184 +ATOM 297 HC2 MOH 50 18.662 11.864 -0.529 +ATOM 298 HC3 MOH 50 18.977 10.111 -0.869 +ATOM 299 O1 MOH 50 20.501 11.340 0.027 +ATOM 300 HO1 MOH 50 20.519 12.083 0.634 +TER +ATOM 301 HC1 MOH 51 3.535 3.134 0.739 +ATOM 302 C1 MOH 51 4.262 2.880 1.521 +ATOM 303 HC2 MOH 51 3.964 3.140 2.546 +ATOM 304 HC3 MOH 51 5.172 3.401 1.196 +ATOM 305 O1 MOH 51 4.551 1.505 1.406 +ATOM 306 HO1 MOH 51 5.469 1.424 1.139 +TER +ATOM 307 HC1 MOH 52 5.449 6.355 9.804 +ATOM 308 C1 MOH 52 5.760 5.672 9.002 +ATOM 309 HC2 MOH 52 5.975 4.713 9.491 +ATOM 310 HC3 MOH 52 6.591 6.070 8.404 +ATOM 311 O1 MOH 52 4.690 5.525 8.096 +ATOM 312 HO1 MOH 52 4.053 5.060 8.643 +TER +ATOM 313 HC1 MOH 53 16.159 9.109 16.364 +ATOM 314 C1 MOH 53 16.345 9.122 17.446 +ATOM 315 HC2 MOH 53 15.526 8.617 17.977 +ATOM 316 HC3 MOH 53 16.472 10.147 17.818 +ATOM 317 O1 MOH 53 17.542 8.520 17.887 +ATOM 318 HO1 MOH 53 17.352 8.099 18.728 +TER +ATOM 319 HC1 MOH 54 13.285 4.099 11.765 +ATOM 320 C1 MOH 54 13.781 4.427 12.688 +ATOM 321 HC2 MOH 54 13.164 5.113 13.284 +ATOM 322 HC3 MOH 54 14.670 4.929 12.284 +ATOM 323 O1 MOH 54 14.104 3.377 13.573 +ATOM 324 HO1 MOH 54 14.952 3.624 13.950 +TER +ATOM 325 HC1 MOH 55 16.056 5.891 3.098 +ATOM 326 C1 MOH 55 16.528 6.717 3.648 +ATOM 327 HC2 MOH 55 17.147 6.335 4.471 +ATOM 328 HC3 MOH 55 15.793 7.446 4.013 +ATOM 329 O1 MOH 55 17.449 7.441 2.865 +ATOM 330 HO1 MOH 55 17.723 8.218 3.359 +TER +ATOM 331 HC1 MOH 56 5.669 17.194 10.207 +ATOM 332 C1 MOH 56 5.314 17.502 11.200 +ATOM 333 HC2 MOH 56 6.084 18.003 11.801 +ATOM 334 HC3 MOH 56 5.103 16.508 11.614 +ATOM 335 O1 MOH 56 4.138 18.244 10.965 +ATOM 336 HO1 MOH 56 3.790 18.529 11.813 +TER +ATOM 337 HC1 MOH 57 3.407 1.530 16.662 +ATOM 338 C1 MOH 57 2.924 1.926 17.566 +ATOM 339 HC2 MOH 57 2.392 2.863 17.358 +ATOM 340 HC3 MOH 57 3.777 2.262 18.171 +ATOM 341 O1 MOH 57 2.115 1.015 18.276 +ATOM 342 HO1 MOH 57 2.353 0.140 17.961 +TER +ATOM 343 HC1 MOH 58 5.356 12.356 4.192 +ATOM 344 C1 MOH 58 5.686 13.300 3.738 +ATOM 345 HC2 MOH 58 6.541 12.990 3.123 +ATOM 346 HC3 MOH 58 5.918 13.991 4.560 +ATOM 347 O1 MOH 58 4.771 13.818 2.799 +ATOM 348 HO1 MOH 58 5.288 14.099 2.040 +TER +ATOM 349 HC1 MOH 59 9.065 4.806 15.165 +ATOM 350 C1 MOH 59 8.046 4.674 15.552 +ATOM 351 HC2 MOH 59 8.237 4.455 16.611 +ATOM 352 HC3 MOH 59 7.513 3.880 15.011 +ATOM 353 O1 MOH 59 7.289 5.863 15.596 +ATOM 354 HO1 MOH 59 7.118 6.034 14.667 +TER +ATOM 355 HC1 MOH 60 8.268 4.805 19.729 +ATOM 356 C1 MOH 60 9.069 4.061 19.624 +ATOM 357 HC2 MOH 60 10.012 4.602 19.779 +ATOM 358 HC3 MOH 60 8.966 3.722 18.585 +ATOM 359 O1 MOH 60 9.247 3.082 20.622 +ATOM 360 HO1 MOH 60 8.458 2.539 20.693 +TER +ATOM 361 HC1 MOH 61 8.519 18.651 10.167 +ATOM 362 C1 MOH 61 8.691 17.823 9.468 +ATOM 363 HC2 MOH 61 9.608 17.986 8.887 +ATOM 364 HC3 MOH 61 7.792 17.785 8.838 +ATOM 365 O1 MOH 61 8.630 16.602 10.171 +ATOM 366 HO1 MOH 61 8.087 15.968 9.697 +TER +ATOM 367 HC1 MOH 62 19.538 3.900 17.608 +ATOM 368 C1 MOH 62 19.681 3.187 16.784 +ATOM 369 HC2 MOH 62 19.152 2.275 17.090 +ATOM 370 HC3 MOH 62 20.769 3.193 16.636 +ATOM 371 O1 MOH 62 19.035 3.796 15.688 +ATOM 372 HO1 MOH 62 19.157 4.746 15.748 +TER +ATOM 373 HC1 MOH 63 19.359 10.436 5.062 +ATOM 374 C1 MOH 63 18.896 10.893 4.177 +ATOM 375 HC2 MOH 63 19.600 10.985 3.340 +ATOM 376 HC3 MOH 63 18.540 11.908 4.399 +ATOM 377 O1 MOH 63 17.918 9.952 3.796 +ATOM 378 HO1 MOH 63 17.237 10.421 3.308 +TER +ATOM 379 HC1 MOH 64 0.220 16.805 7.330 +ATOM 380 C1 MOH 64 -0.689 17.378 7.106 +ATOM 381 HC2 MOH 64 -1.477 16.638 6.914 +ATOM 382 HC3 MOH 64 -0.712 18.203 6.382 +ATOM 383 O1 MOH 64 -0.871 17.973 8.372 +ATOM 384 HO1 MOH 64 -0.014 18.206 8.735 +TER +ATOM 385 HC1 MOH 65 1.612 13.616 7.093 +ATOM 386 C1 MOH 65 0.730 13.070 6.733 +ATOM 387 HC2 MOH 65 0.194 12.641 7.589 +ATOM 388 HC3 MOH 65 1.191 12.246 6.172 +ATOM 389 O1 MOH 65 -0.135 13.766 5.863 +ATOM 390 HO1 MOH 65 0.379 13.953 5.074 +TER +ATOM 391 HC1 MOH 66 8.167 6.045 1.499 +ATOM 392 C1 MOH 66 8.477 5.656 2.478 +ATOM 393 HC2 MOH 66 7.664 5.996 3.133 +ATOM 394 HC3 MOH 66 9.485 5.896 2.841 +ATOM 395 O1 MOH 66 8.447 4.247 2.511 +ATOM 396 HO1 MOH 66 8.773 3.941 1.661 +TER +ATOM 397 HC1 MOH 67 3.611 2.636 12.963 +ATOM 398 C1 MOH 67 3.279 2.998 13.946 +ATOM 399 HC2 MOH 67 4.046 3.591 14.462 +ATOM 400 HC3 MOH 67 3.114 2.196 14.677 +ATOM 401 O1 MOH 67 2.062 3.710 13.977 +ATOM 402 HO1 MOH 67 1.287 3.167 13.814 +TER +ATOM 403 HC1 MOH 68 19.918 7.055 6.964 +ATOM 404 C1 MOH 68 19.075 6.761 7.603 +ATOM 405 HC2 MOH 68 19.269 5.840 8.169 +ATOM 406 HC3 MOH 68 18.133 6.629 7.055 +ATOM 407 O1 MOH 68 18.971 7.919 8.400 +ATOM 408 HO1 MOH 68 19.852 8.299 8.355 +TER +ATOM 409 HC1 MOH 69 2.008 18.746 1.920 +ATOM 410 C1 MOH 69 1.941 19.638 1.282 +ATOM 411 HC2 MOH 69 1.020 19.436 0.718 +ATOM 412 HC3 MOH 69 2.830 19.667 0.638 +ATOM 413 O1 MOH 69 1.888 20.683 2.226 +ATOM 414 HO1 MOH 69 2.406 21.401 1.854 +TER +ATOM 415 HC1 MOH 70 3.658 13.728 12.665 +ATOM 416 C1 MOH 70 2.790 14.039 12.069 +ATOM 417 HC2 MOH 70 3.363 14.304 11.171 +ATOM 418 HC3 MOH 70 2.198 14.897 12.415 +ATOM 419 O1 MOH 70 1.932 12.934 11.889 +ATOM 420 HO1 MOH 70 1.214 13.209 11.314 +TER +ATOM 421 HC1 MOH 71 16.510 12.711 14.131 +ATOM 422 C1 MOH 71 16.812 11.763 14.596 +ATOM 423 HC2 MOH 71 17.173 10.966 13.933 +ATOM 424 HC3 MOH 71 15.940 11.302 15.079 +ATOM 425 O1 MOH 71 17.647 12.152 15.663 +ATOM 426 HO1 MOH 71 18.535 11.817 15.521 +TER +ATOM 427 HC1 MOH 72 4.869 17.811 0.901 +ATOM 428 C1 MOH 72 5.141 17.215 1.782 +ATOM 429 HC2 MOH 72 4.290 16.554 1.990 +ATOM 430 HC3 MOH 72 5.338 17.887 2.628 +ATOM 431 O1 MOH 72 6.272 16.543 1.275 +ATOM 432 HO1 MOH 72 6.933 17.238 1.304 +TER +ATOM 433 HC1 MOH 73 13.289 14.532 2.814 +ATOM 434 C1 MOH 73 12.965 14.133 3.785 +ATOM 435 HC2 MOH 73 13.587 14.567 4.580 +ATOM 436 HC3 MOH 73 13.141 13.050 3.761 +ATOM 437 O1 MOH 73 11.609 14.457 3.993 +ATOM 438 HO1 MOH 73 11.158 14.028 3.262 +TER +ATOM 439 HC1 MOH 74 15.543 16.969 9.659 +ATOM 440 C1 MOH 74 16.433 17.451 9.232 +ATOM 441 HC2 MOH 74 16.122 18.183 8.475 +ATOM 442 HC3 MOH 74 17.077 16.663 8.820 +ATOM 443 O1 MOH 74 17.123 18.164 10.234 +ATOM 444 HO1 MOH 74 17.960 18.385 9.819 +TER +ATOM 445 HC1 MOH 75 15.257 12.119 5.499 +ATOM 446 C1 MOH 75 14.686 11.248 5.847 +ATOM 447 HC2 MOH 75 15.371 10.774 6.562 +ATOM 448 HC3 MOH 75 14.634 10.578 4.978 +ATOM 449 O1 MOH 75 13.417 11.503 6.407 +ATOM 450 HO1 MOH 75 13.473 12.233 7.028 +TER +ATOM 451 HC1 MOH 76 10.458 13.893 6.825 +ATOM 452 C1 MOH 76 10.573 13.385 7.791 +ATOM 453 HC2 MOH 76 9.635 13.317 8.358 +ATOM 454 HC3 MOH 76 11.439 13.797 8.326 +ATOM 455 O1 MOH 76 10.878 12.047 7.467 +ATOM 456 HO1 MOH 76 11.749 12.033 7.065 +TER +ATOM 457 HC1 MOH 77 13.501 13.972 13.150 +ATOM 458 C1 MOH 77 13.518 13.304 14.021 +ATOM 459 HC2 MOH 77 12.648 13.405 14.683 +ATOM 460 HC3 MOH 77 14.451 13.580 14.531 +ATOM 461 O1 MOH 77 13.555 11.978 13.541 +ATOM 462 HO1 MOH 77 13.452 11.392 14.294 +TER +ATOM 463 HC1 MOH 78 18.048 14.602 7.720 +ATOM 464 C1 MOH 78 17.223 14.380 7.030 +ATOM 465 HC2 MOH 78 16.684 15.213 6.560 +ATOM 466 HC3 MOH 78 16.424 13.891 7.603 +ATOM 467 O1 MOH 78 17.544 13.751 5.810 +ATOM 468 HO1 MOH 78 18.497 13.855 5.768 +TER +ATOM 469 HC1 MOH 79 10.113 19.267 2.062 +ATOM 470 C1 MOH 79 9.734 18.258 1.854 +ATOM 471 HC2 MOH 79 9.978 17.559 2.664 +ATOM 472 HC3 MOH 79 10.109 17.878 0.894 +ATOM 473 O1 MOH 79 8.336 18.441 1.833 +ATOM 474 HO1 MOH 79 8.226 18.882 2.679 +TER +ATOM 475 HC1 MOH 80 4.885 14.619 8.097 +ATOM 476 C1 MOH 80 5.889 14.194 8.235 +ATOM 477 HC2 MOH 80 6.146 13.758 7.261 +ATOM 478 HC3 MOH 80 5.775 13.474 9.057 +ATOM 479 O1 MOH 80 6.801 15.226 8.538 +ATOM 480 HO1 MOH 80 6.904 15.814 7.786 +TER +ATOM 481 HC1 MOH 81 10.600 11.972 18.640 +ATOM 482 C1 MOH 81 9.782 12.165 17.934 +ATOM 483 HC2 MOH 81 9.244 13.110 18.094 +ATOM 484 HC3 MOH 81 9.046 11.371 18.114 +ATOM 485 O1 MOH 81 10.276 12.089 16.616 +ATOM 486 HO1 MOH 81 10.791 12.893 16.517 +TER +ATOM 487 HC1 MOH 82 0.839 15.949 10.688 +ATOM 488 C1 MOH 82 0.190 15.380 10.009 +ATOM 489 HC2 MOH 82 0.672 15.449 9.025 +ATOM 490 HC3 MOH 82 -0.859 15.699 9.958 +ATOM 491 O1 MOH 82 0.099 14.033 10.417 +ATOM 492 HO1 MOH 82 -0.645 13.660 9.938 +TER +ATOM 493 HC1 MOH 83 7.500 12.914 11.805 +ATOM 494 C1 MOH 83 8.257 12.333 11.263 +ATOM 495 HC2 MOH 83 9.269 12.594 11.600 +ATOM 496 HC3 MOH 83 8.391 12.487 10.184 +ATOM 497 O1 MOH 83 8.107 10.950 11.492 +ATOM 498 HO1 MOH 83 7.465 10.833 12.197 +TER +ATOM 499 HC1 MOH 84 5.813 0.334 19.557 +ATOM 500 C1 MOH 84 6.596 -0.130 20.172 +ATOM 501 HC2 MOH 84 7.402 -0.420 19.486 +ATOM 502 HC3 MOH 84 6.091 -1.021 20.567 +ATOM 503 O1 MOH 84 6.990 0.776 21.178 +ATOM 504 HO1 MOH 84 7.317 0.344 21.971 +TER +ATOM 505 HC1 MOH 85 14.624 17.649 17.394 +ATOM 506 C1 MOH 85 13.769 17.043 17.066 +ATOM 507 HC2 MOH 85 13.761 17.259 15.989 +ATOM 508 HC3 MOH 85 12.892 17.354 17.649 +ATOM 509 O1 MOH 85 14.107 15.681 17.200 +ATOM 510 HO1 MOH 85 15.030 15.536 16.978 +TER +ATOM 511 HC1 MOH 86 15.158 1.704 17.997 +ATOM 512 C1 MOH 86 16.126 1.210 18.153 +ATOM 513 HC2 MOH 86 16.497 1.538 19.133 +ATOM 514 HC3 MOH 86 16.739 1.549 17.307 +ATOM 515 O1 MOH 86 15.917 -0.183 18.105 +ATOM 516 HO1 MOH 86 15.006 -0.314 18.377 +TER +ATOM 517 HC1 MOH 87 2.251 17.719 16.605 +ATOM 518 C1 MOH 87 2.405 18.085 17.628 +ATOM 519 HC2 MOH 87 2.333 17.227 18.309 +ATOM 520 HC3 MOH 87 1.595 18.803 17.815 +ATOM 521 O1 MOH 87 3.639 18.734 17.836 +ATOM 522 HO1 MOH 87 4.318 18.076 17.669 +TER +ATOM 523 HC1 MOH 88 14.910 6.000 6.503 +ATOM 524 C1 MOH 88 13.921 6.291 6.883 +ATOM 525 HC2 MOH 88 13.191 5.765 6.254 +ATOM 526 HC3 MOH 88 13.835 7.367 6.678 +ATOM 527 O1 MOH 88 13.742 5.944 8.238 +ATOM 528 HO1 MOH 88 12.807 6.150 8.309 +TER +ATOM 529 HC1 MOH 89 8.120 1.946 11.936 +ATOM 530 C1 MOH 89 7.152 2.270 12.341 +ATOM 531 HC2 MOH 89 6.521 2.339 11.444 +ATOM 532 HC3 MOH 89 7.329 3.306 12.660 +ATOM 533 O1 MOH 89 6.669 1.569 13.465 +ATOM 534 HO1 MOH 89 7.116 0.724 13.553 +TER +ATOM 535 HC1 MOH 90 15.207 14.323 20.251 +ATOM 536 C1 MOH 90 14.403 14.936 20.678 +ATOM 537 HC2 MOH 90 14.824 15.325 21.615 +ATOM 538 HC3 MOH 90 13.618 14.243 21.011 +ATOM 539 O1 MOH 90 14.118 16.058 19.873 +ATOM 540 HO1 MOH 90 14.311 15.751 18.984 +TER +ATOM 541 HC1 MOH 91 2.363 4.545 5.804 +ATOM 542 C1 MOH 91 2.910 3.620 5.576 +ATOM 543 HC2 MOH 91 3.830 3.874 5.034 +ATOM 544 HC3 MOH 91 2.302 3.087 4.833 +ATOM 545 O1 MOH 91 2.974 2.864 6.765 +ATOM 546 HO1 MOH 91 2.714 3.467 7.465 +TER +ATOM 547 HC1 MOH 92 1.731 6.912 13.273 +ATOM 548 C1 MOH 92 2.752 7.100 13.628 +ATOM 549 HC2 MOH 92 2.883 6.925 14.704 +ATOM 550 HC3 MOH 92 3.206 8.014 13.223 +ATOM 551 O1 MOH 92 3.456 6.006 13.082 +ATOM 552 HO1 MOH 92 3.003 5.199 13.335 +TER +ATOM 553 HC1 MOH 93 12.279 8.323 5.884 +ATOM 554 C1 MOH 93 11.654 8.158 4.996 +ATOM 555 HC2 MOH 93 11.715 8.986 4.278 +ATOM 556 HC3 MOH 93 10.667 8.028 5.458 +ATOM 557 O1 MOH 93 12.114 7.007 4.322 +ATOM 558 HO1 MOH 93 11.798 7.098 3.420 +TER +ATOM 559 HC1 MOH 94 12.477 0.805 16.958 +ATOM 560 C1 MOH 94 12.697 -0.268 17.038 +ATOM 561 HC2 MOH 94 13.410 -0.689 16.316 +ATOM 562 HC3 MOH 94 11.776 -0.860 16.949 +ATOM 563 O1 MOH 94 13.215 -0.453 18.336 +ATOM 564 HO1 MOH 94 12.623 0.008 18.935 +TER +ATOM 565 HC1 MOH 95 15.100 16.302 4.472 +ATOM 566 C1 MOH 95 15.355 17.324 4.783 +ATOM 567 HC2 MOH 95 15.690 17.087 5.802 +ATOM 568 HC3 MOH 95 14.549 18.063 4.685 +ATOM 569 O1 MOH 95 16.340 17.774 3.880 +ATOM 570 HO1 MOH 95 16.741 18.588 4.193 +TER +ATOM 571 HC1 MOH 96 16.869 12.225 1.756 +ATOM 572 C1 MOH 96 16.197 12.377 2.611 +ATOM 573 HC2 MOH 96 15.468 13.162 2.371 +ATOM 574 HC3 MOH 96 16.701 12.791 3.495 +ATOM 575 O1 MOH 96 15.640 11.094 2.790 +ATOM 576 HO1 MOH 96 15.010 10.993 2.073 +TER +ATOM 577 HC1 MOH 97 17.101 18.522 1.056 +ATOM 578 C1 MOH 97 16.834 17.756 0.317 +ATOM 579 HC2 MOH 97 15.766 17.526 0.429 +ATOM 580 HC3 MOH 97 17.404 16.855 0.580 +ATOM 581 O1 MOH 97 17.284 18.025 -0.992 +ATOM 582 HO1 MOH 97 16.807 18.757 -1.391 +TER +ATOM 583 HC1 MOH 98 11.642 15.802 6.934 +ATOM 584 C1 MOH 98 11.856 16.851 6.688 +ATOM 585 HC2 MOH 98 12.748 17.171 7.242 +ATOM 586 HC3 MOH 98 10.939 17.312 7.078 +ATOM 587 O1 MOH 98 11.876 16.927 5.280 +ATOM 588 HO1 MOH 98 11.485 16.131 4.911 +TER +ATOM 589 HC1 MOH 99 0.379 4.919 9.458 +ATOM 590 C1 MOH 99 1.250 5.472 9.834 +ATOM 591 HC2 MOH 99 1.121 5.729 10.893 +ATOM 592 HC3 MOH 99 1.276 6.426 9.290 +ATOM 593 O1 MOH 99 2.394 4.701 9.542 +ATOM 594 HO1 MOH 99 2.186 3.826 9.879 +TER +ATOM 595 HC1 MOH 100 12.005 0.356 5.816 +ATOM 596 C1 MOH 100 10.984 -0.034 5.923 +ATOM 597 HC2 MOH 100 10.347 0.849 5.780 +ATOM 598 HC3 MOH 100 10.767 -0.405 6.933 +ATOM 599 O1 MOH 100 10.706 -0.989 4.924 +ATOM 600 HO1 MOH 100 11.293 -1.732 5.083 +TER +ATOM 601 HC1 MOH 101 14.836 7.741 10.361 +ATOM 602 C1 MOH 101 15.722 7.234 9.956 +ATOM 603 HC2 MOH 101 15.759 7.387 8.869 +ATOM 604 HC3 MOH 101 15.646 6.145 10.070 +ATOM 605 O1 MOH 101 16.954 7.726 10.433 +ATOM 606 HO1 MOH 101 17.460 7.851 9.626 +TER +ATOM 607 HC1 MOH 102 8.486 10.436 8.688 +ATOM 608 C1 MOH 102 8.657 9.435 8.272 +ATOM 609 HC2 MOH 102 8.064 9.297 7.358 +ATOM 610 HC3 MOH 102 8.444 8.660 9.020 +ATOM 611 O1 MOH 102 10.047 9.351 8.045 +ATOM 612 HO1 MOH 102 10.454 10.212 8.170 +TER +ATOM 613 HC1 MOH 103 19.537 1.043 19.764 +ATOM 614 C1 MOH 103 20.211 1.838 20.108 +ATOM 615 HC2 MOH 103 20.650 2.280 19.203 +ATOM 616 HC3 MOH 103 21.066 1.447 20.676 +ATOM 617 O1 MOH 103 19.694 2.765 21.036 +ATOM 618 HO1 MOH 103 19.113 2.323 21.661 +TER +ATOM 619 HC1 MOH 104 0.225 3.599 6.605 +ATOM 620 C1 MOH 104 -0.596 3.145 6.034 +ATOM 621 HC2 MOH 104 -1.240 2.812 6.858 +ATOM 622 HC3 MOH 104 -0.251 2.321 5.395 +ATOM 623 O1 MOH 104 -1.321 3.974 5.153 +ATOM 624 HO1 MOH 104 -0.695 4.502 4.652 +TER +ATOM 625 HC1 MOH 105 4.863 4.855 18.352 +ATOM 626 C1 MOH 105 4.679 5.698 17.672 +ATOM 627 HC2 MOH 105 3.781 6.165 18.097 +ATOM 628 HC3 MOH 105 4.538 5.355 16.638 +ATOM 629 O1 MOH 105 5.735 6.632 17.706 +ATOM 630 HO1 MOH 105 6.363 6.494 16.994 +TER +ATOM 631 HC1 MOH 106 18.989 18.859 4.513 +ATOM 632 C1 MOH 106 19.575 19.504 3.846 +ATOM 633 HC2 MOH 106 18.987 20.392 3.576 +ATOM 634 HC3 MOH 106 19.675 18.912 2.927 +ATOM 635 O1 MOH 106 20.811 19.926 4.378 +ATOM 636 HO1 MOH 106 21.341 20.294 3.667 +TER +ATOM 637 HC1 MOH 107 10.936 4.597 1.247 +ATOM 638 C1 MOH 107 11.824 5.243 1.261 +ATOM 639 HC2 MOH 107 12.440 5.137 0.359 +ATOM 640 HC3 MOH 107 12.448 5.039 2.140 +ATOM 641 O1 MOH 107 11.347 6.570 1.309 +ATOM 642 HO1 MOH 107 10.924 6.699 0.457 +TER +ATOM 643 HC1 MOH 108 17.288 0.682 6.808 +ATOM 644 C1 MOH 108 17.540 -0.021 6.003 +ATOM 645 HC2 MOH 108 17.982 -0.965 6.347 +ATOM 646 HC3 MOH 108 18.334 0.535 5.488 +ATOM 647 O1 MOH 108 16.388 -0.221 5.214 +ATOM 648 HO1 MOH 108 16.068 0.594 4.821 +TER +ATOM 649 HC1 MOH 109 3.626 13.901 0.489 +ATOM 650 C1 MOH 109 3.325 14.501 -0.380 +ATOM 651 HC2 MOH 109 2.667 15.337 -0.110 +ATOM 652 HC3 MOH 109 3.025 13.834 -1.198 +ATOM 653 O1 MOH 109 4.458 15.002 -1.055 +ATOM 654 HO1 MOH 109 4.720 15.799 -0.588 +TER +ATOM 655 HC1 MOH 110 16.618 20.373 11.829 +ATOM 656 C1 MOH 110 16.150 21.195 11.271 +ATOM 657 HC2 MOH 110 15.177 20.894 10.858 +ATOM 658 HC3 MOH 110 16.752 21.487 10.400 +ATOM 659 O1 MOH 110 16.137 22.298 12.149 +ATOM 660 HO1 MOH 110 15.231 22.472 12.413 +TER +ATOM 661 HC1 MOH 111 0.303 6.513 15.113 +ATOM 662 C1 MOH 111 -0.705 6.947 15.151 +ATOM 663 HC2 MOH 111 -1.329 6.636 14.304 +ATOM 664 HC3 MOH 111 -0.606 8.010 14.896 +ATOM 665 O1 MOH 111 -1.279 6.865 16.436 +ATOM 666 HO1 MOH 111 -1.832 7.623 16.637 +TER +ATOM 667 HC1 MOH 112 7.060 16.310 4.358 +ATOM 668 C1 MOH 112 7.766 16.397 5.193 +ATOM 669 HC2 MOH 112 8.595 17.070 4.938 +ATOM 670 HC3 MOH 112 8.222 15.491 5.613 +ATOM 671 O1 MOH 112 7.167 16.827 6.394 +ATOM 672 HO1 MOH 112 7.058 17.765 6.219 +TER +ATOM 673 HC1 MOH 113 12.262 11.983 1.637 +ATOM 674 C1 MOH 113 12.610 11.142 1.022 +ATOM 675 HC2 MOH 113 11.911 11.141 0.175 +ATOM 676 HC3 MOH 113 12.600 10.187 1.565 +ATOM 677 O1 MOH 113 13.934 11.272 0.555 +ATOM 678 HO1 MOH 113 14.258 10.424 0.242 +TER +ATOM 679 HC1 MOH 114 10.071 14.885 19.872 +ATOM 680 C1 MOH 114 10.076 15.324 20.878 +ATOM 681 HC2 MOH 114 9.133 15.872 21.004 +ATOM 682 HC3 MOH 114 10.962 15.949 21.048 +ATOM 683 O1 MOH 114 10.361 14.285 21.787 +ATOM 684 HO1 MOH 114 9.659 13.711 21.472 +TER +ATOM 685 HC1 MOH 115 10.879 0.659 1.881 +ATOM 686 C1 MOH 115 11.703 0.894 1.195 +ATOM 687 HC2 MOH 115 12.556 0.369 1.645 +ATOM 688 HC3 MOH 115 11.836 1.975 1.334 +ATOM 689 O1 MOH 115 11.707 0.348 -0.105 +ATOM 690 HO1 MOH 115 11.895 -0.583 0.034 +TER +ATOM 691 HC1 MOH 116 5.178 10.020 17.638 +ATOM 692 C1 MOH 116 5.816 9.844 16.762 +ATOM 693 HC2 MOH 116 6.754 9.541 17.246 +ATOM 694 HC3 MOH 116 6.092 10.792 16.280 +ATOM 695 O1 MOH 116 5.190 8.896 15.927 +ATOM 696 HO1 MOH 116 5.417 8.027 16.266 +TER +ATOM 697 HC1 MOH 117 20.358 0.760 14.529 +ATOM 698 C1 MOH 117 20.747 0.730 13.503 +ATOM 699 HC2 MOH 117 20.194 0.012 12.883 +ATOM 700 HC3 MOH 117 21.794 0.454 13.688 +ATOM 701 O1 MOH 117 20.751 2.054 13.020 +ATOM 702 HO1 MOH 117 19.841 2.315 12.861 +TER +ATOM 703 HC1 MOH 118 17.025 11.297 9.821 +ATOM 704 C1 MOH 118 17.970 11.093 9.300 +ATOM 705 HC2 MOH 118 17.824 10.645 8.309 +ATOM 706 HC3 MOH 118 18.724 10.484 9.817 +ATOM 707 O1 MOH 118 18.617 12.308 8.993 +ATOM 708 HO1 MOH 118 18.623 12.299 8.033 +TER +ATOM 709 HC1 MOH 119 9.488 5.709 8.124 +ATOM 710 C1 MOH 119 9.913 6.153 9.034 +ATOM 711 HC2 MOH 119 10.115 5.414 9.820 +ATOM 712 HC3 MOH 119 9.110 6.789 9.429 +ATOM 713 O1 MOH 119 11.082 6.892 8.756 +ATOM 714 HO1 MOH 119 10.682 7.688 8.399 +TER +ATOM 715 HC1 MOH 120 16.239 5.589 16.003 +ATOM 716 C1 MOH 120 15.608 4.693 16.082 +ATOM 717 HC2 MOH 120 14.587 4.983 15.798 +ATOM 718 HC3 MOH 120 15.417 4.422 17.129 +ATOM 719 O1 MOH 120 16.173 3.732 15.220 +ATOM 720 HO1 MOH 120 17.093 3.624 15.473 +TER +ATOM 721 HC1 MOH 121 10.252 10.827 4.208 +ATOM 722 C1 MOH 121 9.401 11.518 4.257 +ATOM 723 HC2 MOH 121 9.890 12.434 3.899 +ATOM 724 HC3 MOH 121 8.943 11.712 5.236 +ATOM 725 O1 MOH 121 8.335 11.288 3.364 +ATOM 726 HO1 MOH 121 7.817 10.593 3.776 +TER +ATOM 727 HC1 MOH 122 8.492 1.479 4.417 +ATOM 728 C1 MOH 122 7.888 1.158 3.558 +ATOM 729 HC2 MOH 122 8.456 1.254 2.624 +ATOM 730 HC3 MOH 122 6.948 1.710 3.425 +ATOM 731 O1 MOH 122 7.616 -0.211 3.758 +ATOM 732 HO1 MOH 122 7.065 -0.292 4.539 +TER +ATOM 733 HC1 MOH 123 0.607 9.111 16.797 +ATOM 734 C1 MOH 123 1.350 9.910 16.926 +ATOM 735 HC2 MOH 123 1.997 9.634 17.769 +ATOM 736 HC3 MOH 123 0.775 10.830 17.096 +ATOM 737 O1 MOH 123 2.081 10.105 15.735 +ATOM 738 HO1 MOH 123 2.994 10.123 16.031 +TER +ATOM 739 HC1 MOH 124 20.313 7.259 4.507 +ATOM 740 C1 MOH 124 20.629 6.778 3.572 +ATOM 741 HC2 MOH 124 21.540 7.221 3.149 +ATOM 742 HC3 MOH 124 19.852 6.843 2.799 +ATOM 743 O1 MOH 124 21.071 5.447 3.715 +ATOM 744 HO1 MOH 124 21.821 5.361 3.120 +TER +ATOM 745 HC1 MOH 125 12.867 17.099 1.797 +ATOM 746 C1 MOH 125 12.971 18.180 1.637 +ATOM 747 HC2 MOH 125 14.020 18.430 1.843 +ATOM 748 HC3 MOH 125 12.314 18.714 2.338 +ATOM 749 O1 MOH 125 12.653 18.351 0.274 +ATOM 750 HO1 MOH 125 13.164 17.638 -0.115 +TER diff --git a/src/data/methanol-box/methanol-box.prmtop b/src/data/methanol-box/methanol-box.prmtop new file mode 100644 index 000000000..36808b03e --- /dev/null +++ b/src/data/methanol-box/methanol-box.prmtop @@ -0,0 +1,2078 @@ +%VERSION VERSION_STAMP = V0001.000 DATE = 01/02/02 14:34:36 +%FLAG TITLE +%FORMAT(20a4) + +%FLAG POINTERS +%FORMAT(10I8) + 750 4 500 125 875 0 375 0 0 0 + 2000 125 125 0 0 3 3 1 4 0 + 0 0 0 0 0 0 0 1 6 0 + 0 +%FLAG ATOM_NAME +%FORMAT(20a4) +HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 +HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 +O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 +HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 +HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 +O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 +HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 +HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 +O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 +HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 +HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 O1 HO1 HC1 C1 HC2 HC3 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000000000..a361210c6 --- /dev/null +++ b/src/data/src-implicit/implicit-refined.pdb @@ -0,0 +1,4094 @@ +ATOM 1 N LEU A 1 21.956 22.721 41.979 1.00 0.00 +ATOM 2 H LEU A 1 21.501 21.876 42.293 1.00 0.00 +ATOM 3 H2 LEU A 1 21.269 23.388 41.658 1.00 0.00 +ATOM 4 H3 LEU A 1 22.661 22.423 41.321 1.00 0.00 +ATOM 5 CA LEU A 1 22.772 23.307 43.102 1.00 0.00 +ATOM 6 HA LEU A 1 23.165 24.273 42.785 1.00 0.00 +ATOM 7 CB LEU A 1 21.853 23.760 44.329 1.00 0.00 +ATOM 8 HB2 LEU A 1 22.472 23.920 45.212 1.00 0.00 +ATOM 9 HB3 LEU A 1 21.254 22.870 44.520 1.00 0.00 +ATOM 10 CG LEU A 1 20.896 24.966 44.145 1.00 0.00 +ATOM 11 HG LEU A 1 20.402 24.874 43.177 1.00 0.00 +ATOM 12 CD1 LEU A 1 19.921 25.247 45.265 1.00 0.00 +ATOM 13 HD11 LEU A 1 20.397 25.481 46.217 1.00 0.00 +ATOM 14 HD12 LEU A 1 19.277 24.368 45.262 1.00 0.00 +ATOM 15 HD13 LEU A 1 19.212 26.005 44.933 1.00 0.00 +ATOM 16 CD2 LEU A 1 21.663 26.302 44.080 1.00 0.00 +ATOM 17 HD21 LEU A 1 22.295 26.417 43.200 1.00 0.00 +ATOM 18 HD22 LEU A 1 22.276 26.461 44.967 1.00 0.00 +ATOM 19 HD23 LEU A 1 20.936 27.114 44.118 1.00 0.00 +ATOM 20 C LEU A 1 23.890 22.421 43.648 1.00 0.00 +ATOM 21 O LEU A 1 23.864 21.208 43.649 1.00 0.00 +ATOM 22 N ARG A 2 24.959 23.007 44.288 1.00 0.00 +ATOM 23 H ARG A 2 25.062 24.012 44.282 1.00 0.00 +ATOM 24 CA ARG A 2 26.110 22.280 44.967 1.00 0.00 +ATOM 25 HA ARG A 2 26.538 21.470 44.378 1.00 0.00 +ATOM 26 CB ARG A 2 27.285 23.262 45.211 1.00 0.00 +ATOM 27 HB2 ARG A 2 26.931 24.080 45.838 1.00 0.00 +ATOM 28 HB3 ARG A 2 27.606 23.533 44.205 1.00 0.00 +ATOM 29 CG ARG A 2 28.503 22.641 45.891 1.00 0.00 +ATOM 30 HG2 ARG A 2 28.462 22.745 46.976 1.00 0.00 +ATOM 31 HG3 ARG A 2 28.693 21.629 45.536 1.00 0.00 +ATOM 32 CD ARG A 2 29.753 23.496 45.474 1.00 0.00 +ATOM 33 HD2 ARG A 2 30.219 23.237 44.524 1.00 0.00 +ATOM 34 HD3 ARG A 2 29.316 24.490 45.375 1.00 0.00 +ATOM 35 NE ARG A 2 30.794 23.561 46.572 1.00 0.00 +ATOM 36 HE ARG A 2 30.612 23.029 47.410 1.00 0.00 +ATOM 37 CZ ARG A 2 32.021 24.030 46.513 1.00 0.00 +ATOM 38 NH1 ARG A 2 32.564 24.738 45.468 1.00 0.00 +ATOM 39 HH11 ARG A 2 32.039 24.776 44.606 1.00 0.00 +ATOM 40 HH12 ARG A 2 33.521 25.060 45.472 1.00 0.00 +ATOM 41 NH2 ARG A 2 32.798 23.721 47.490 1.00 0.00 +ATOM 42 HH21 ARG A 2 33.660 24.224 47.643 1.00 0.00 +ATOM 43 HH22 ARG A 2 32.298 23.307 48.264 1.00 0.00 +ATOM 44 C ARG A 2 25.714 21.624 46.282 1.00 0.00 +ATOM 45 O ARG A 2 25.817 22.206 47.356 1.00 0.00 +ATOM 46 N LEU A 3 25.063 20.470 46.175 1.00 0.00 +ATOM 47 H LEU A 3 24.993 20.055 45.257 1.00 0.00 +ATOM 48 CA LEU A 3 24.811 19.548 47.261 1.00 0.00 +ATOM 49 HA LEU A 3 24.687 20.109 48.187 1.00 0.00 +ATOM 50 CB LEU A 3 23.447 18.834 47.169 1.00 0.00 +ATOM 51 HB2 LEU A 3 23.524 17.869 47.671 1.00 0.00 +ATOM 52 HB3 LEU A 3 23.331 18.658 46.100 1.00 0.00 +ATOM 53 CG LEU A 3 22.205 19.513 47.688 1.00 0.00 +ATOM 54 HG LEU A 3 22.352 19.785 48.734 1.00 0.00 +ATOM 55 CD1 LEU A 3 21.966 20.787 46.946 1.00 0.00 +ATOM 56 HD11 LEU A 3 21.725 20.675 45.889 1.00 0.00 +ATOM 57 HD12 LEU A 3 22.813 21.463 47.061 1.00 0.00 +ATOM 58 HD13 LEU A 3 21.102 21.238 47.436 1.00 0.00 +ATOM 59 CD2 LEU A 3 21.005 18.524 47.405 1.00 0.00 +ATOM 60 HD21 LEU A 3 20.871 17.768 48.179 1.00 0.00 +ATOM 61 HD22 LEU A 3 20.053 19.053 47.450 1.00 0.00 +ATOM 62 HD23 LEU A 3 21.102 18.111 46.401 1.00 0.00 +ATOM 63 C LEU A 3 25.926 18.518 47.490 1.00 0.00 +ATOM 64 O LEU A 3 26.168 17.665 46.629 1.00 0.00 +ATOM 65 N GLU A 4 26.671 18.625 48.607 1.00 0.00 +ATOM 66 H GLU A 4 26.494 19.395 49.236 1.00 0.00 +ATOM 67 CA GLU A 4 27.939 17.890 48.876 1.00 0.00 +ATOM 68 HA GLU A 4 28.367 17.547 47.934 1.00 0.00 +ATOM 69 CB GLU A 4 28.971 18.804 49.574 1.00 0.00 +ATOM 70 HB2 GLU A 4 29.850 18.208 49.819 1.00 0.00 +ATOM 71 HB3 GLU A 4 28.493 19.113 50.504 1.00 0.00 +ATOM 72 CG GLU A 4 29.353 20.094 48.853 1.00 0.00 +ATOM 73 HG2 GLU A 4 28.446 20.695 48.799 1.00 0.00 +ATOM 74 HG3 GLU A 4 29.666 19.766 47.862 1.00 0.00 +ATOM 75 CD GLU A 4 30.368 21.033 49.569 1.00 0.00 +ATOM 76 OE1 GLU A 4 30.936 20.716 50.609 1.00 0.00 +ATOM 77 OE2 GLU A 4 30.694 22.060 48.935 1.00 0.00 +ATOM 78 C GLU A 4 27.611 16.583 49.699 1.00 0.00 +ATOM 79 O GLU A 4 28.008 15.548 49.286 1.00 0.00 +ATOM 80 N VAL A 5 26.940 16.564 50.866 1.00 0.00 +ATOM 81 H VAL A 5 26.346 17.361 51.048 1.00 0.00 +ATOM 82 CA VAL A 5 26.763 15.434 51.789 1.00 0.00 +ATOM 83 HA VAL A 5 26.697 14.538 51.173 1.00 0.00 +ATOM 84 CB VAL A 5 27.923 15.246 52.776 1.00 0.00 +ATOM 85 HB VAL A 5 27.737 14.570 53.610 1.00 0.00 +ATOM 86 CG1 VAL A 5 29.322 14.928 52.068 1.00 0.00 +ATOM 87 HG11 VAL A 5 30.157 14.900 52.768 1.00 0.00 +ATOM 88 HG12 VAL A 5 29.168 13.918 51.686 1.00 0.00 +ATOM 89 HG13 VAL A 5 29.615 15.749 51.414 1.00 0.00 +ATOM 90 CG2 VAL A 5 28.093 16.651 53.405 1.00 0.00 +ATOM 91 HG21 VAL A 5 27.192 16.983 53.922 1.00 0.00 +ATOM 92 HG22 VAL A 5 28.278 17.451 52.689 1.00 0.00 +ATOM 93 HG23 VAL A 5 28.966 16.591 54.054 1.00 0.00 +ATOM 94 C VAL A 5 25.382 15.494 52.466 1.00 0.00 +ATOM 95 O VAL A 5 24.759 16.597 52.649 1.00 0.00 +ATOM 96 N LYS A 6 24.804 14.335 52.887 1.00 0.00 +ATOM 97 H LYS A 6 25.256 13.476 52.609 1.00 0.00 +ATOM 98 CA LYS A 6 23.571 14.270 53.639 1.00 0.00 +ATOM 99 HA LYS A 6 22.910 15.047 53.258 1.00 0.00 +ATOM 100 CB LYS A 6 22.905 12.915 53.374 1.00 0.00 +ATOM 101 HB2 LYS A 6 23.474 12.154 53.908 1.00 0.00 +ATOM 102 HB3 LYS A 6 22.732 12.842 52.300 1.00 0.00 +ATOM 103 CG LYS A 6 21.518 12.995 54.049 1.00 0.00 +ATOM 104 HG2 LYS A 6 21.715 12.697 55.078 1.00 0.00 +ATOM 105 HG3 LYS A 6 21.085 13.995 54.029 1.00 0.00 +ATOM 106 CD LYS A 6 20.555 12.177 53.251 1.00 0.00 +ATOM 107 HD2 LYS A 6 20.561 12.615 52.253 1.00 0.00 +ATOM 108 HD3 LYS A 6 19.539 12.353 53.605 1.00 0.00 +ATOM 109 CE LYS A 6 20.870 10.659 53.145 1.00 0.00 +ATOM 110 HE2 LYS A 6 21.775 10.510 52.557 1.00 0.00 +ATOM 111 HE3 LYS A 6 20.949 10.349 54.187 1.00 0.00 +ATOM 112 NZ LYS A 6 19.713 9.903 52.502 1.00 0.00 +ATOM 113 HZ1 LYS A 6 19.471 10.151 51.553 1.00 0.00 +ATOM 114 HZ2 LYS A 6 19.855 8.903 52.508 1.00 0.00 +ATOM 115 HZ3 LYS A 6 18.803 10.040 52.918 1.00 0.00 +ATOM 116 C LYS A 6 23.787 14.551 55.155 1.00 0.00 +ATOM 117 O LYS A 6 24.490 13.896 55.936 1.00 0.00 +ATOM 118 N LEU A 7 23.253 15.717 55.598 1.00 0.00 +ATOM 119 H LEU A 7 22.729 16.207 54.887 1.00 0.00 +ATOM 120 CA LEU A 7 23.114 16.151 56.989 1.00 0.00 +ATOM 121 HA LEU A 7 24.043 16.050 57.550 1.00 0.00 +ATOM 122 CB LEU A 7 22.758 17.680 57.038 1.00 0.00 +ATOM 123 HB2 LEU A 7 21.976 17.916 56.317 1.00 0.00 +ATOM 124 HB3 LEU A 7 22.437 17.814 58.072 1.00 0.00 +ATOM 125 CG LEU A 7 23.937 18.693 56.867 1.00 0.00 +ATOM 126 HG LEU A 7 24.213 18.686 55.812 1.00 0.00 +ATOM 127 CD1 LEU A 7 23.321 20.027 57.244 1.00 0.00 +ATOM 128 HD11 LEU A 7 23.193 20.148 58.320 1.00 0.00 +ATOM 129 HD12 LEU A 7 24.013 20.746 56.805 1.00 0.00 +ATOM 130 HD13 LEU A 7 22.342 20.071 56.768 1.00 0.00 +ATOM 131 CD2 LEU A 7 25.206 18.526 57.733 1.00 0.00 +ATOM 132 HD21 LEU A 7 25.873 17.826 57.229 1.00 0.00 +ATOM 133 HD22 LEU A 7 25.682 19.506 57.705 1.00 0.00 +ATOM 134 HD23 LEU A 7 25.039 18.168 58.749 1.00 0.00 +ATOM 135 C LEU A 7 22.089 15.332 57.836 1.00 0.00 +ATOM 136 O LEU A 7 22.253 15.150 59.037 1.00 0.00 +ATOM 137 N GLY A 8 20.949 14.949 57.182 1.00 0.00 +ATOM 138 H GLY A 8 20.813 15.328 56.256 1.00 0.00 +ATOM 139 CA GLY A 8 19.823 14.257 57.885 1.00 0.00 +ATOM 140 HA2 GLY A 8 19.442 14.868 58.704 1.00 0.00 +ATOM 141 HA3 GLY A 8 20.299 13.378 58.318 1.00 0.00 +ATOM 142 C GLY A 8 18.619 13.799 57.032 1.00 0.00 +ATOM 143 O GLY A 8 18.490 14.115 55.848 1.00 0.00 +ATOM 144 N GLN A 9 17.695 12.950 57.513 1.00 0.00 +ATOM 145 H GLN A 9 17.875 12.572 58.432 1.00 0.00 +ATOM 146 CA GLN A 9 16.420 12.696 56.820 1.00 0.00 +ATOM 147 HA GLN A 9 16.114 13.613 56.317 1.00 0.00 +ATOM 148 CB GLN A 9 16.476 11.532 55.852 1.00 0.00 +ATOM 149 HB2 GLN A 9 16.897 10.612 56.257 1.00 0.00 +ATOM 150 HB3 GLN A 9 17.195 11.828 55.087 1.00 0.00 +ATOM 151 CG GLN A 9 15.248 11.168 55.101 1.00 0.00 +ATOM 152 HG2 GLN A 9 14.550 10.792 55.849 1.00 0.00 +ATOM 153 HG3 GLN A 9 14.768 12.048 54.673 1.00 0.00 +ATOM 154 CD GLN A 9 15.427 10.005 54.155 1.00 0.00 +ATOM 155 OE1 GLN A 9 16.535 9.551 53.982 1.00 0.00 +ATOM 156 NE2 GLN A 9 14.322 9.477 53.680 1.00 0.00 +ATOM 157 HE21 GLN A 9 13.404 9.868 53.835 1.00 0.00 +ATOM 158 HE22 GLN A 9 14.414 8.575 53.236 1.00 0.00 +ATOM 159 C GLN A 9 15.262 12.516 57.862 1.00 0.00 +ATOM 160 O GLN A 9 15.386 11.774 58.857 1.00 0.00 +ATOM 161 N GLY A 10 14.157 13.219 57.696 1.00 0.00 +ATOM 162 H GLY A 10 14.214 14.007 57.066 1.00 0.00 +ATOM 163 CA GLY A 10 12.883 12.966 58.400 1.00 0.00 +ATOM 164 HA2 GLY A 10 12.596 13.919 58.844 1.00 0.00 +ATOM 165 HA3 GLY A 10 12.974 12.204 59.174 1.00 0.00 +ATOM 166 C GLY A 10 11.792 12.512 57.461 1.00 0.00 +ATOM 167 O GLY A 10 11.930 11.995 56.352 1.00 0.00 +ATOM 168 N CYS A 11 10.530 12.759 57.919 1.00 0.00 +ATOM 169 H CYS A 11 10.363 13.277 58.770 1.00 0.00 +ATOM 170 CA CYS A 11 9.351 12.280 57.179 1.00 0.00 +ATOM 171 HA CYS A 11 9.639 11.325 56.740 1.00 0.00 +ATOM 172 CB CYS A 11 8.251 11.991 58.247 1.00 0.00 +ATOM 173 HB2 CYS A 11 7.509 11.423 57.686 1.00 0.00 +ATOM 174 HB3 CYS A 11 7.759 12.915 58.551 1.00 0.00 +ATOM 175 SG CYS A 11 8.899 10.878 59.563 1.00 0.00 +ATOM 176 HG CYS A 11 7.764 10.881 60.268 1.00 0.00 +ATOM 177 C CYS A 11 8.712 13.295 56.199 1.00 0.00 +ATOM 178 O CYS A 11 7.941 12.922 55.344 1.00 0.00 +ATOM 179 N PHE A 12 9.026 14.608 56.443 1.00 0.00 +ATOM 180 H PHE A 12 9.469 14.787 57.332 1.00 0.00 +ATOM 181 CA PHE A 12 8.872 15.743 55.456 1.00 0.00 +ATOM 182 HA PHE A 12 7.868 15.617 55.050 1.00 0.00 +ATOM 183 CB PHE A 12 9.091 17.174 56.167 1.00 0.00 +ATOM 184 HB2 PHE A 12 9.067 17.989 55.443 1.00 0.00 +ATOM 185 HB3 PHE A 12 8.247 17.299 56.845 1.00 0.00 +ATOM 186 CG PHE A 12 10.387 17.348 56.854 1.00 0.00 +ATOM 187 CD1 PHE A 12 10.452 17.258 58.260 1.00 0.00 +ATOM 188 HD1 PHE A 12 9.516 17.226 58.798 1.00 0.00 +ATOM 189 CD2 PHE A 12 11.528 17.387 56.087 1.00 0.00 +ATOM 190 HD2 PHE A 12 11.486 17.329 55.010 1.00 0.00 +ATOM 191 CE1 PHE A 12 11.733 17.220 58.929 1.00 0.00 +ATOM 192 HE1 PHE A 12 11.789 17.049 59.994 1.00 0.00 +ATOM 193 CE2 PHE A 12 12.834 17.417 56.737 1.00 0.00 +ATOM 194 HE2 PHE A 12 13.714 17.357 56.114 1.00 0.00 +ATOM 195 CZ PHE A 12 12.891 17.275 58.110 1.00 0.00 +ATOM 196 HZ PHE A 12 13.814 17.260 58.669 1.00 0.00 +ATOM 197 C PHE A 12 9.822 15.504 54.272 1.00 0.00 +ATOM 198 O PHE A 12 9.436 15.938 53.191 1.00 0.00 +ATOM 199 N GLY A 13 10.997 14.892 54.499 1.00 0.00 +ATOM 200 H GLY A 13 11.287 14.509 55.387 1.00 0.00 +ATOM 201 CA GLY A 13 12.070 14.781 53.518 1.00 0.00 +ATOM 202 HA2 GLY A 13 11.985 13.821 53.009 1.00 0.00 +ATOM 203 HA3 GLY A 13 11.880 15.501 52.722 1.00 0.00 +ATOM 204 C GLY A 13 13.569 14.736 54.006 1.00 0.00 +ATOM 205 O GLY A 13 13.883 14.557 55.174 1.00 0.00 +ATOM 206 N GLU A 14 14.521 15.133 53.142 1.00 0.00 +ATOM 207 H GLU A 14 14.200 15.580 52.295 1.00 0.00 +ATOM 208 CA GLU A 14 15.970 15.021 53.335 1.00 0.00 +ATOM 209 HA GLU A 14 16.136 14.473 54.263 1.00 0.00 +ATOM 210 CB GLU A 14 16.531 14.083 52.215 1.00 0.00 +ATOM 211 HB2 GLU A 14 15.978 13.153 52.348 1.00 0.00 +ATOM 212 HB3 GLU A 14 17.609 13.929 52.274 1.00 0.00 +ATOM 213 CG GLU A 14 16.289 14.575 50.790 1.00 0.00 +ATOM 214 HG2 GLU A 14 16.871 15.495 50.754 1.00 0.00 +ATOM 215 HG3 GLU A 14 15.225 14.794 50.702 1.00 0.00 +ATOM 216 CD GLU A 14 16.724 13.676 49.646 1.00 0.00 +ATOM 217 OE1 GLU A 14 15.899 13.168 48.813 1.00 0.00 +ATOM 218 OE2 GLU A 14 17.961 13.474 49.456 1.00 0.00 +ATOM 219 C GLU A 14 16.847 16.288 53.484 1.00 0.00 +ATOM 220 O GLU A 14 16.572 17.156 52.708 1.00 0.00 +ATOM 221 N VAL A 15 17.899 16.297 54.334 1.00 0.00 +ATOM 222 H VAL A 15 18.294 15.448 54.713 1.00 0.00 +ATOM 223 CA VAL A 15 18.686 17.544 54.569 1.00 0.00 +ATOM 224 HA VAL A 15 18.217 18.372 54.038 1.00 0.00 +ATOM 225 CB VAL A 15 18.692 17.930 56.074 1.00 0.00 +ATOM 226 HB VAL A 15 19.459 17.410 56.648 1.00 0.00 +ATOM 227 CG1 VAL A 15 18.926 19.417 56.204 1.00 0.00 +ATOM 228 HG11 VAL A 15 18.167 19.976 55.657 1.00 0.00 +ATOM 229 HG12 VAL A 15 19.838 19.828 55.773 1.00 0.00 +ATOM 230 HG13 VAL A 15 19.099 19.664 57.252 1.00 0.00 +ATOM 231 CG2 VAL A 15 17.372 17.699 56.748 1.00 0.00 +ATOM 232 HG21 VAL A 15 16.959 16.704 56.581 1.00 0.00 +ATOM 233 HG22 VAL A 15 17.486 17.907 57.812 1.00 0.00 +ATOM 234 HG23 VAL A 15 16.571 18.208 56.212 1.00 0.00 +ATOM 235 C VAL A 15 20.162 17.473 54.062 1.00 0.00 +ATOM 236 O VAL A 15 20.842 16.436 54.334 1.00 0.00 +ATOM 237 N TRP A 16 20.758 18.482 53.394 1.00 0.00 +ATOM 238 H TRP A 16 20.157 19.275 53.220 1.00 0.00 +ATOM 239 CA TRP A 16 22.104 18.430 52.709 1.00 0.00 +ATOM 240 HA TRP A 16 22.558 17.464 52.928 1.00 0.00 +ATOM 241 CB TRP A 16 21.872 18.351 51.156 1.00 0.00 +ATOM 242 HB2 TRP A 16 21.136 19.057 50.773 1.00 0.00 +ATOM 243 HB3 TRP A 16 22.778 18.714 50.670 1.00 0.00 +ATOM 244 CG TRP A 16 21.445 16.954 50.628 1.00 0.00 +ATOM 245 CD2 TRP A 16 22.182 15.908 49.931 1.00 0.00 +ATOM 246 CD1 TRP A 16 20.192 16.474 50.788 1.00 0.00 +ATOM 247 HD1 TRP A 16 19.407 17.045 51.260 1.00 0.00 +ATOM 248 NE1 TRP A 16 20.070 15.232 50.271 1.00 0.00 +ATOM 249 HE1 TRP A 16 19.296 14.583 50.287 1.00 0.00 +ATOM 250 CE2 TRP A 16 21.249 14.850 49.664 1.00 0.00 +ATOM 251 CE3 TRP A 16 23.483 15.805 49.486 1.00 0.00 +ATOM 252 HE3 TRP A 16 24.267 16.527 49.660 1.00 0.00 +ATOM 253 CZ2 TRP A 16 21.661 13.715 48.933 1.00 0.00 +ATOM 254 HZ2 TRP A 16 20.981 12.898 48.742 1.00 0.00 +ATOM 255 CZ3 TRP A 16 23.873 14.703 48.716 1.00 0.00 +ATOM 256 HZ3 TRP A 16 24.860 14.612 48.286 1.00 0.00 +ATOM 257 CH2 TRP A 16 22.966 13.680 48.452 1.00 0.00 +ATOM 258 HH2 TRP A 16 23.308 12.804 47.921 1.00 0.00 +ATOM 259 C TRP A 16 22.958 19.630 53.106 1.00 0.00 +ATOM 260 O TRP A 16 22.389 20.691 53.393 1.00 0.00 +ATOM 261 N MET A 17 24.257 19.522 52.917 1.00 0.00 +ATOM 262 H MET A 17 24.651 18.673 52.537 1.00 0.00 +ATOM 263 CA MET A 17 25.178 20.643 52.984 1.00 0.00 +ATOM 264 HA MET A 17 24.640 21.525 53.331 1.00 0.00 +ATOM 265 CB MET A 17 26.253 20.290 54.021 1.00 0.00 +ATOM 266 HB2 MET A 17 27.193 20.115 53.498 1.00 0.00 +ATOM 267 HB3 MET A 17 25.936 19.487 54.686 1.00 0.00 +ATOM 268 CG MET A 17 26.439 21.447 55.047 1.00 0.00 +ATOM 269 HG2 MET A 17 26.757 21.073 56.020 1.00 0.00 +ATOM 270 HG3 MET A 17 25.414 21.799 55.163 1.00 0.00 +ATOM 271 SD MET A 17 27.496 22.834 54.538 1.00 0.00 +ATOM 272 CE MET A 17 29.006 21.977 54.134 1.00 0.00 +ATOM 273 HE1 MET A 17 29.244 21.371 55.008 1.00 0.00 +ATOM 274 HE2 MET A 17 28.709 21.503 53.199 1.00 0.00 +ATOM 275 HE3 MET A 17 29.799 22.726 54.149 1.00 0.00 +ATOM 276 C MET A 17 25.788 21.091 51.668 1.00 0.00 +ATOM 277 O MET A 17 25.839 20.362 50.731 1.00 0.00 +ATOM 278 N GLY A 18 26.248 22.273 51.553 1.00 0.00 +ATOM 279 H GLY A 18 26.115 22.852 52.370 1.00 0.00 +ATOM 280 CA GLY A 18 26.537 22.927 50.269 1.00 0.00 +ATOM 281 HA2 GLY A 18 27.174 22.275 49.671 1.00 0.00 +ATOM 282 HA3 GLY A 18 25.626 23.056 49.685 1.00 0.00 +ATOM 283 C GLY A 18 27.259 24.301 50.372 1.00 0.00 +ATOM 284 O GLY A 18 27.588 24.707 51.452 1.00 0.00 +ATOM 285 N THR A 19 27.448 24.950 49.216 1.00 0.00 +ATOM 286 H THR A 19 27.310 24.444 48.353 1.00 0.00 +ATOM 287 CA THR A 19 27.935 26.383 49.102 1.00 0.00 +ATOM 288 HA THR A 19 27.903 26.837 50.093 1.00 0.00 +ATOM 289 CB THR A 19 29.374 26.520 48.616 1.00 0.00 +ATOM 290 HB THR A 19 29.368 25.962 47.680 1.00 0.00 +ATOM 291 OG1 THR A 19 30.092 25.864 49.668 1.00 0.00 +ATOM 292 HG1 THR A 19 31.028 26.072 49.619 1.00 0.00 +ATOM 293 CG2 THR A 19 29.978 27.894 48.548 1.00 0.00 +ATOM 294 HG21 THR A 19 31.052 27.731 48.454 1.00 0.00 +ATOM 295 HG22 THR A 19 29.642 28.545 49.355 1.00 0.00 +ATOM 296 HG23 THR A 19 29.615 28.321 47.614 1.00 0.00 +ATOM 297 C THR A 19 27.023 27.147 48.150 1.00 0.00 +ATOM 298 O THR A 19 26.812 26.659 47.044 1.00 0.00 +ATOM 299 N TRP A 20 26.565 28.321 48.561 1.00 0.00 +ATOM 300 H TRP A 20 26.875 28.751 49.420 1.00 0.00 +ATOM 301 CA TRP A 20 25.747 29.267 47.727 1.00 0.00 +ATOM 302 HA TRP A 20 25.472 28.780 46.792 1.00 0.00 +ATOM 303 CB TRP A 20 24.464 29.589 48.553 1.00 0.00 +ATOM 304 HB2 TRP A 20 24.733 30.135 49.458 1.00 0.00 +ATOM 305 HB3 TRP A 20 24.007 28.645 48.850 1.00 0.00 +ATOM 306 CG TRP A 20 23.391 30.396 47.849 1.00 0.00 +ATOM 307 CD2 TRP A 20 22.989 31.748 48.144 1.00 0.00 +ATOM 308 CD1 TRP A 20 22.798 30.043 46.705 1.00 0.00 +ATOM 309 HD1 TRP A 20 22.959 29.104 46.196 1.00 0.00 +ATOM 310 NE1 TRP A 20 21.827 30.991 46.418 1.00 0.00 +ATOM 311 HE1 TRP A 20 21.256 30.899 45.590 1.00 0.00 +ATOM 312 CE2 TRP A 20 21.969 32.122 47.232 1.00 0.00 +ATOM 313 CE3 TRP A 20 23.283 32.659 49.144 1.00 0.00 +ATOM 314 HE3 TRP A 20 24.066 32.419 49.848 1.00 0.00 +ATOM 315 CZ2 TRP A 20 21.468 33.436 47.165 1.00 0.00 +ATOM 316 HZ2 TRP A 20 20.768 33.694 46.384 1.00 0.00 +ATOM 317 CZ3 TRP A 20 22.795 33.970 49.152 1.00 0.00 +ATOM 318 HZ3 TRP A 20 23.102 34.713 49.873 1.00 0.00 +ATOM 319 CH2 TRP A 20 21.867 34.403 48.161 1.00 0.00 +ATOM 320 HH2 TRP A 20 21.466 35.404 48.113 1.00 0.00 +ATOM 321 C TRP A 20 26.482 30.523 47.277 1.00 0.00 +ATOM 322 O TRP A 20 27.450 30.853 47.908 1.00 0.00 +ATOM 323 N ASN A 21 26.137 31.027 46.133 1.00 0.00 +ATOM 324 H ASN A 21 25.303 30.713 45.658 1.00 0.00 +ATOM 325 CA ASN A 21 26.906 32.103 45.557 1.00 0.00 +ATOM 326 HA ASN A 21 26.483 32.253 44.564 1.00 0.00 +ATOM 327 CB ASN A 21 26.673 33.494 46.261 1.00 0.00 +ATOM 328 HB2 ASN A 21 27.445 34.194 45.944 1.00 0.00 +ATOM 329 HB3 ASN A 21 26.708 33.383 47.345 1.00 0.00 +ATOM 330 CG ASN A 21 25.310 34.145 45.849 1.00 0.00 +ATOM 331 OD1 ASN A 21 24.500 33.658 44.998 1.00 0.00 +ATOM 332 ND2 ASN A 21 24.944 35.259 46.480 1.00 0.00 +ATOM 333 HD21 ASN A 21 25.539 35.697 47.170 1.00 0.00 +ATOM 334 HD22 ASN A 21 24.157 35.788 46.132 1.00 0.00 +ATOM 335 C ASN A 21 28.404 31.744 45.185 1.00 0.00 +ATOM 336 O ASN A 21 29.111 32.588 44.614 1.00 0.00 +ATOM 337 N GLY A 22 28.935 30.552 45.406 1.00 0.00 +ATOM 338 H GLY A 22 28.256 29.903 45.776 1.00 0.00 +ATOM 339 CA GLY A 22 30.387 30.214 45.260 1.00 0.00 +ATOM 340 HA2 GLY A 22 30.729 30.641 44.317 1.00 0.00 +ATOM 341 HA3 GLY A 22 30.489 29.146 45.063 1.00 0.00 +ATOM 342 C GLY A 22 31.254 30.617 46.477 1.00 0.00 +ATOM 343 O GLY A 22 32.445 30.520 46.399 1.00 0.00 +ATOM 344 N THR A 23 30.545 31.151 47.536 1.00 0.00 +ATOM 345 H THR A 23 29.537 31.195 47.564 1.00 0.00 +ATOM 346 CA THR A 23 31.202 31.951 48.635 1.00 0.00 +ATOM 347 HA THR A 23 32.267 31.728 48.695 1.00 0.00 +ATOM 348 CB THR A 23 30.958 33.468 48.456 1.00 0.00 +ATOM 349 HB THR A 23 31.291 34.039 49.323 1.00 0.00 +ATOM 350 OG1 THR A 23 29.614 33.749 48.244 1.00 0.00 +ATOM 351 HG1 THR A 23 29.576 34.698 48.105 1.00 0.00 +ATOM 352 CG2 THR A 23 31.678 34.118 47.219 1.00 0.00 +ATOM 353 HG21 THR A 23 32.670 33.700 47.049 1.00 0.00 +ATOM 354 HG22 THR A 23 31.017 34.030 46.357 1.00 0.00 +ATOM 355 HG23 THR A 23 31.912 35.164 47.421 1.00 0.00 +ATOM 356 C THR A 23 30.794 31.533 50.063 1.00 0.00 +ATOM 357 O THR A 23 31.629 31.591 50.950 1.00 0.00 +ATOM 358 N THR A 24 29.478 31.341 50.293 1.00 0.00 +ATOM 359 H THR A 24 28.798 31.437 49.552 1.00 0.00 +ATOM 360 CA THR A 24 28.887 31.228 51.632 1.00 0.00 +ATOM 361 HA THR A 24 29.688 31.277 52.369 1.00 0.00 +ATOM 362 CB THR A 24 27.904 32.349 52.046 1.00 0.00 +ATOM 363 HB THR A 24 28.259 33.319 51.697 1.00 0.00 +ATOM 364 OG1 THR A 24 27.865 32.327 53.434 1.00 0.00 +ATOM 365 HG1 THR A 24 27.239 32.967 53.781 1.00 0.00 +ATOM 366 CG2 THR A 24 26.544 32.121 51.409 1.00 0.00 +ATOM 367 HG21 THR A 24 26.115 31.231 51.868 1.00 0.00 +ATOM 368 HG22 THR A 24 25.960 33.026 51.576 1.00 0.00 +ATOM 369 HG23 THR A 24 26.614 32.065 50.322 1.00 0.00 +ATOM 370 C THR A 24 28.313 29.879 51.932 1.00 0.00 +ATOM 371 O THR A 24 27.747 29.245 51.050 1.00 0.00 +ATOM 372 N ARG A 25 28.502 29.358 53.090 1.00 0.00 +ATOM 373 H ARG A 25 28.759 29.990 53.835 1.00 0.00 +ATOM 374 CA ARG A 25 28.345 27.970 53.484 1.00 0.00 +ATOM 375 HA ARG A 25 28.398 27.431 52.539 1.00 0.00 +ATOM 376 CB ARG A 25 29.431 27.499 54.472 1.00 0.00 +ATOM 377 HB2 ARG A 25 30.355 28.075 54.437 1.00 0.00 +ATOM 378 HB3 ARG A 25 29.035 27.618 55.481 1.00 0.00 +ATOM 379 CG ARG A 25 29.914 26.000 54.245 1.00 0.00 +ATOM 380 HG2 ARG A 25 30.395 25.707 55.178 1.00 0.00 +ATOM 381 HG3 ARG A 25 29.065 25.355 54.017 1.00 0.00 +ATOM 382 CD ARG A 25 30.951 25.932 53.157 1.00 0.00 +ATOM 383 HD2 ARG A 25 30.524 26.224 52.198 1.00 0.00 +ATOM 384 HD3 ARG A 25 31.678 26.721 53.350 1.00 0.00 +ATOM 385 NE ARG A 25 31.600 24.603 53.140 1.00 0.00 +ATOM 386 HE ARG A 25 32.372 24.498 53.782 1.00 0.00 +ATOM 387 CZ ARG A 25 31.367 23.656 52.251 1.00 0.00 +ATOM 388 NH1 ARG A 25 30.492 23.668 51.302 1.00 0.00 +ATOM 389 HH11 ARG A 25 30.022 24.538 51.096 1.00 0.00 +ATOM 390 HH12 ARG A 25 30.602 22.909 50.645 1.00 0.00 +ATOM 391 NH2 ARG A 25 32.133 22.601 52.280 1.00 0.00 +ATOM 392 HH21 ARG A 25 32.812 22.454 53.013 1.00 0.00 +ATOM 393 HH22 ARG A 25 31.885 21.820 51.690 1.00 0.00 +ATOM 394 C ARG A 25 26.904 27.725 54.122 1.00 0.00 +ATOM 395 O ARG A 25 26.461 28.423 55.043 1.00 0.00 +ATOM 396 N VAL A 26 26.224 26.776 53.501 1.00 0.00 +ATOM 397 H VAL A 26 26.680 26.174 52.830 1.00 0.00 +ATOM 398 CA VAL A 26 24.743 26.680 53.549 1.00 0.00 +ATOM 399 HA VAL A 26 24.495 27.341 54.379 1.00 0.00 +ATOM 400 CB VAL A 26 24.041 27.076 52.226 1.00 0.00 +ATOM 401 HB VAL A 26 22.999 26.772 52.328 1.00 0.00 +ATOM 402 CG1 VAL A 26 24.201 28.587 52.112 1.00 0.00 +ATOM 403 HG11 VAL A 26 23.864 29.160 52.976 1.00 0.00 +ATOM 404 HG12 VAL A 26 25.255 28.762 51.897 1.00 0.00 +ATOM 405 HG13 VAL A 26 23.652 28.944 51.241 1.00 0.00 +ATOM 406 CG2 VAL A 26 24.535 26.352 50.989 1.00 0.00 +ATOM 407 HG21 VAL A 26 24.524 25.262 51.013 1.00 0.00 +ATOM 408 HG22 VAL A 26 25.556 26.664 50.768 1.00 0.00 +ATOM 409 HG23 VAL A 26 23.863 26.596 50.167 1.00 0.00 +ATOM 410 C VAL A 26 24.294 25.241 53.958 1.00 0.00 +ATOM 411 O VAL A 26 24.871 24.233 53.498 1.00 0.00 +ATOM 412 N ALA A 27 23.209 25.110 54.680 1.00 0.00 +ATOM 413 H ALA A 27 22.727 25.928 55.024 1.00 0.00 +ATOM 414 CA ALA A 27 22.431 23.922 54.804 1.00 0.00 +ATOM 415 HA ALA A 27 23.008 23.082 54.417 1.00 0.00 +ATOM 416 CB ALA A 27 22.051 23.686 56.244 1.00 0.00 +ATOM 417 HB1 ALA A 27 21.255 24.361 56.556 1.00 0.00 +ATOM 418 HB2 ALA A 27 22.905 23.864 56.898 1.00 0.00 +ATOM 419 HB3 ALA A 27 21.717 22.665 56.429 1.00 0.00 +ATOM 420 C ALA A 27 21.210 23.931 53.888 1.00 0.00 +ATOM 421 O ALA A 27 20.822 24.999 53.430 1.00 0.00 +ATOM 422 N ILE A 28 20.601 22.822 53.523 1.00 0.00 +ATOM 423 H ILE A 28 20.928 21.954 53.923 1.00 0.00 +ATOM 424 CA ILE A 28 19.424 22.739 52.669 1.00 0.00 +ATOM 425 HA ILE A 28 18.886 23.685 52.607 1.00 0.00 +ATOM 426 CB ILE A 28 19.931 22.438 51.171 1.00 0.00 +ATOM 427 HB ILE A 28 20.213 21.386 51.127 1.00 0.00 +ATOM 428 CG1 ILE A 28 21.202 23.143 50.555 1.00 0.00 +ATOM 429 HG12 ILE A 28 21.261 23.147 49.466 1.00 0.00 +ATOM 430 HG13 ILE A 28 21.144 24.223 50.691 1.00 0.00 +ATOM 431 CG2 ILE A 28 18.752 22.578 50.247 1.00 0.00 +ATOM 432 HG21 ILE A 28 18.922 22.411 49.184 1.00 0.00 +ATOM 433 HG22 ILE A 28 18.193 23.486 50.476 1.00 0.00 +ATOM 434 HG23 ILE A 28 17.985 21.844 50.497 1.00 0.00 +ATOM 435 CD1 ILE A 28 22.603 22.575 50.938 1.00 0.00 +ATOM 436 HD11 ILE A 28 22.900 22.919 51.929 1.00 0.00 +ATOM 437 HD12 ILE A 28 23.294 22.950 50.183 1.00 0.00 +ATOM 438 HD13 ILE A 28 22.614 21.485 50.964 1.00 0.00 +ATOM 439 C ILE A 28 18.472 21.619 53.150 1.00 0.00 +ATOM 440 O ILE A 28 18.777 20.423 53.188 1.00 0.00 +ATOM 441 N LYS A 29 17.222 21.948 53.526 1.00 0.00 +ATOM 442 H LYS A 29 17.041 22.939 53.459 1.00 0.00 +ATOM 443 CA LYS A 29 16.121 21.010 53.495 1.00 0.00 +ATOM 444 HA LYS A 29 16.394 20.000 53.801 1.00 0.00 +ATOM 445 CB LYS A 29 15.079 21.416 54.555 1.00 0.00 +ATOM 446 HB2 LYS A 29 14.117 20.965 54.310 1.00 0.00 +ATOM 447 HB3 LYS A 29 14.990 22.502 54.522 1.00 0.00 +ATOM 448 CG LYS A 29 15.442 20.985 55.979 1.00 0.00 +ATOM 449 HG2 LYS A 29 15.390 19.896 55.989 1.00 0.00 +ATOM 450 HG3 LYS A 29 16.425 21.325 56.306 1.00 0.00 +ATOM 451 CD LYS A 29 14.408 21.453 56.979 1.00 0.00 +ATOM 452 HD2 LYS A 29 14.298 22.518 56.775 1.00 0.00 +ATOM 453 HD3 LYS A 29 13.473 20.936 56.764 1.00 0.00 +ATOM 454 CE LYS A 29 14.916 21.074 58.400 1.00 0.00 +ATOM 455 HE2 LYS A 29 15.820 21.645 58.614 1.00 0.00 +ATOM 456 HE3 LYS A 29 15.116 20.003 58.420 1.00 0.00 +ATOM 457 NZ LYS A 29 13.932 21.343 59.530 1.00 0.00 +ATOM 458 HZ1 LYS A 29 13.194 20.653 59.506 1.00 0.00 +ATOM 459 HZ2 LYS A 29 14.376 21.367 60.437 1.00 0.00 +ATOM 460 HZ3 LYS A 29 13.545 22.274 59.475 1.00 0.00 +ATOM 461 C LYS A 29 15.577 20.903 52.076 1.00 0.00 +ATOM 462 O LYS A 29 15.388 21.897 51.407 1.00 0.00 +ATOM 463 N THR A 30 15.197 19.700 51.654 1.00 0.00 +ATOM 464 H THR A 30 15.447 18.913 52.236 1.00 0.00 +ATOM 465 CA THR A 30 14.428 19.327 50.428 1.00 0.00 +ATOM 466 HA THR A 30 14.151 20.291 50.002 1.00 0.00 +ATOM 467 CB THR A 30 15.185 18.418 49.470 1.00 0.00 +ATOM 468 HB THR A 30 15.442 17.487 49.976 1.00 0.00 +ATOM 469 OG1 THR A 30 16.470 18.887 49.247 1.00 0.00 +ATOM 470 HG1 THR A 30 16.538 19.512 48.521 1.00 0.00 +ATOM 471 CG2 THR A 30 14.417 18.015 48.159 1.00 0.00 +ATOM 472 HG21 THR A 30 13.400 17.630 48.232 1.00 0.00 +ATOM 473 HG22 THR A 30 14.403 18.910 47.537 1.00 0.00 +ATOM 474 HG23 THR A 30 15.027 17.243 47.691 1.00 0.00 +ATOM 475 C THR A 30 13.165 18.536 50.820 1.00 0.00 +ATOM 476 O THR A 30 13.298 17.521 51.549 1.00 0.00 +ATOM 477 N LEU A 31 11.977 19.090 50.589 1.00 0.00 +ATOM 478 H LEU A 31 11.915 19.791 49.865 1.00 0.00 +ATOM 479 CA LEU A 31 10.620 18.416 50.884 1.00 0.00 +ATOM 480 HA LEU A 31 10.613 17.863 51.823 1.00 0.00 +ATOM 481 CB LEU A 31 9.617 19.537 51.049 1.00 0.00 +ATOM 482 HB2 LEU A 31 8.707 19.237 51.568 1.00 0.00 +ATOM 483 HB3 LEU A 31 9.352 19.865 50.044 1.00 0.00 +ATOM 484 CG LEU A 31 10.123 20.709 51.899 1.00 0.00 +ATOM 485 HG LEU A 31 10.931 21.251 51.406 1.00 0.00 +ATOM 486 CD1 LEU A 31 8.911 21.639 52.054 1.00 0.00 +ATOM 487 HD11 LEU A 31 9.123 22.489 52.703 1.00 0.00 +ATOM 488 HD12 LEU A 31 8.073 21.038 52.405 1.00 0.00 +ATOM 489 HD13 LEU A 31 8.687 22.027 51.060 1.00 0.00 +ATOM 490 CD2 LEU A 31 10.538 20.310 53.330 1.00 0.00 +ATOM 491 HD21 LEU A 31 9.701 20.115 54.001 1.00 0.00 +ATOM 492 HD22 LEU A 31 11.418 19.667 53.368 1.00 0.00 +ATOM 493 HD23 LEU A 31 10.907 21.216 53.810 1.00 0.00 +ATOM 494 C LEU A 31 10.254 17.498 49.758 1.00 0.00 +ATOM 495 O LEU A 31 10.645 17.743 48.631 1.00 0.00 +ATOM 496 N LYS A 32 9.533 16.407 50.086 1.00 0.00 +ATOM 497 H LYS A 32 9.166 16.401 51.027 1.00 0.00 +ATOM 498 CA LYS A 32 8.936 15.474 49.062 1.00 0.00 +ATOM 499 HA LYS A 32 9.701 15.171 48.347 1.00 0.00 +ATOM 500 CB LYS A 32 8.483 14.191 49.703 1.00 0.00 +ATOM 501 HB2 LYS A 32 7.807 14.419 50.527 1.00 0.00 +ATOM 502 HB3 LYS A 32 8.078 13.648 48.849 1.00 0.00 +ATOM 503 CG LYS A 32 9.661 13.325 50.213 1.00 0.00 +ATOM 504 HG2 LYS A 32 10.149 13.898 51.001 1.00 0.00 +ATOM 505 HG3 LYS A 32 10.408 13.122 49.445 1.00 0.00 +ATOM 506 CD LYS A 32 9.119 12.003 50.739 1.00 0.00 +ATOM 507 HD2 LYS A 32 8.076 12.123 51.030 1.00 0.00 +ATOM 508 HD3 LYS A 32 9.626 11.631 51.630 1.00 0.00 +ATOM 509 CE LYS A 32 9.106 10.947 49.568 1.00 0.00 +ATOM 510 HE2 LYS A 32 8.480 10.116 49.894 1.00 0.00 +ATOM 511 HE3 LYS A 32 8.767 11.491 48.686 1.00 0.00 +ATOM 512 NZ LYS A 32 10.461 10.263 49.398 1.00 0.00 +ATOM 513 HZ1 LYS A 32 11.179 10.816 48.952 1.00 0.00 +ATOM 514 HZ2 LYS A 32 10.285 9.473 48.795 1.00 0.00 +ATOM 515 HZ3 LYS A 32 10.923 9.854 50.198 1.00 0.00 +ATOM 516 C LYS A 32 7.817 16.173 48.234 1.00 0.00 +ATOM 517 O LYS A 32 7.165 17.051 48.754 1.00 0.00 +ATOM 518 N PRO A 33 7.613 15.853 46.934 1.00 0.00 +ATOM 519 CA PRO A 33 6.346 16.285 46.286 1.00 0.00 +ATOM 520 HA PRO A 33 6.394 17.374 46.286 1.00 0.00 +ATOM 521 CD PRO A 33 8.247 14.776 46.217 1.00 0.00 +ATOM 522 HD2 PRO A 33 9.218 15.132 45.873 1.00 0.00 +ATOM 523 HD3 PRO A 33 8.377 13.880 46.824 1.00 0.00 +ATOM 524 CB PRO A 33 6.489 15.652 44.867 1.00 0.00 +ATOM 525 HB2 PRO A 33 6.883 16.356 44.134 1.00 0.00 +ATOM 526 HB3 PRO A 33 5.533 15.348 44.439 1.00 0.00 +ATOM 527 CG PRO A 33 7.397 14.461 45.001 1.00 0.00 +ATOM 528 HG2 PRO A 33 6.825 13.554 45.196 1.00 0.00 +ATOM 529 HG3 PRO A 33 8.073 14.446 44.145 1.00 0.00 +ATOM 530 C PRO A 33 5.034 15.815 46.954 1.00 0.00 +ATOM 531 O PRO A 33 4.884 14.647 47.352 1.00 0.00 +ATOM 532 N GLY A 34 4.086 16.753 47.189 1.00 0.00 +ATOM 533 H GLY A 34 4.346 17.687 46.904 1.00 0.00 +ATOM 534 CA GLY A 34 2.941 16.643 48.088 1.00 0.00 +ATOM 535 HA2 GLY A 34 2.248 17.452 47.854 1.00 0.00 +ATOM 536 HA3 GLY A 34 2.521 15.639 48.035 1.00 0.00 +ATOM 537 C GLY A 34 3.298 16.919 49.635 1.00 0.00 +ATOM 538 O GLY A 34 2.440 16.754 50.487 1.00 0.00 +ATOM 539 N THR A 35 4.527 17.397 49.936 1.00 0.00 +ATOM 540 H THR A 35 5.217 17.548 49.214 1.00 0.00 +ATOM 541 CA THR A 35 4.593 18.055 51.277 1.00 0.00 +ATOM 542 HA THR A 35 4.351 17.310 52.034 1.00 0.00 +ATOM 543 CB THR A 35 5.985 18.449 51.611 1.00 0.00 +ATOM 544 HB THR A 35 6.412 19.262 51.024 1.00 0.00 +ATOM 545 OG1 THR A 35 6.780 17.342 51.465 1.00 0.00 +ATOM 546 HG1 THR A 35 7.004 17.302 50.532 1.00 0.00 +ATOM 547 CG2 THR A 35 6.127 18.781 53.106 1.00 0.00 +ATOM 548 HG21 THR A 35 7.185 18.760 53.368 1.00 0.00 +ATOM 549 HG22 THR A 35 5.525 18.110 53.719 1.00 0.00 +ATOM 550 HG23 THR A 35 5.795 19.812 53.223 1.00 0.00 +ATOM 551 C THR A 35 3.680 19.291 51.439 1.00 0.00 +ATOM 552 O THR A 35 3.096 19.458 52.528 1.00 0.00 +ATOM 553 N MET A 36 3.595 20.259 50.557 1.00 0.00 +ATOM 554 H MET A 36 4.047 20.034 49.682 1.00 0.00 +ATOM 555 CA MET A 36 2.964 21.566 50.660 1.00 0.00 +ATOM 556 HA MET A 36 1.985 21.353 51.091 1.00 0.00 +ATOM 557 CB MET A 36 3.734 22.335 51.663 1.00 0.00 +ATOM 558 HB2 MET A 36 3.164 23.264 51.682 1.00 0.00 +ATOM 559 HB3 MET A 36 3.720 21.865 52.647 1.00 0.00 +ATOM 560 CG MET A 36 5.256 22.483 51.366 1.00 0.00 +ATOM 561 HG2 MET A 36 5.352 23.036 50.432 1.00 0.00 +ATOM 562 HG3 MET A 36 5.816 21.562 51.204 1.00 0.00 +ATOM 563 SD MET A 36 6.041 23.620 52.585 1.00 0.00 +ATOM 564 CE MET A 36 6.929 24.798 51.527 1.00 0.00 +ATOM 565 HE1 MET A 36 6.260 25.162 50.748 1.00 0.00 +ATOM 566 HE2 MET A 36 7.269 25.660 52.102 1.00 0.00 +ATOM 567 HE3 MET A 36 7.824 24.296 51.160 1.00 0.00 +ATOM 568 C MET A 36 2.748 22.449 49.373 1.00 0.00 +ATOM 569 O MET A 36 3.696 22.740 48.707 1.00 0.00 +ATOM 570 N SER A 37 1.510 22.990 49.181 1.00 0.00 +ATOM 571 H SER A 37 0.733 22.606 49.701 1.00 0.00 +ATOM 572 CA SER A 37 1.148 23.679 47.885 1.00 0.00 +ATOM 573 HA SER A 37 1.618 23.109 47.083 1.00 0.00 +ATOM 574 CB SER A 37 -0.320 23.658 47.611 1.00 0.00 +ATOM 575 HB2 SER A 37 -0.433 24.421 46.842 1.00 0.00 +ATOM 576 HB3 SER A 37 -0.611 22.655 47.300 1.00 0.00 +ATOM 577 OG SER A 37 -1.077 24.027 48.742 1.00 0.00 +ATOM 578 HG SER A 37 -0.855 23.345 49.380 1.00 0.00 +ATOM 579 C SER A 37 1.643 25.102 47.834 1.00 0.00 +ATOM 580 O SER A 37 1.769 25.749 48.868 1.00 0.00 +ATOM 581 N PRO A 38 1.825 25.705 46.670 1.00 0.00 +ATOM 582 CA PRO A 38 2.549 26.980 46.522 1.00 0.00 +ATOM 583 HA PRO A 38 3.496 26.941 47.059 1.00 0.00 +ATOM 584 CD PRO A 38 1.499 25.107 45.437 1.00 0.00 +ATOM 585 HD2 PRO A 38 1.954 24.120 45.359 1.00 0.00 +ATOM 586 HD3 PRO A 38 0.413 25.194 45.390 1.00 0.00 +ATOM 587 CB PRO A 38 2.771 27.220 45.019 1.00 0.00 +ATOM 588 HB2 PRO A 38 2.367 28.194 44.740 1.00 0.00 +ATOM 589 HB3 PRO A 38 3.795 27.482 44.754 1.00 0.00 +ATOM 590 CG PRO A 38 2.142 26.041 44.332 1.00 0.00 +ATOM 591 HG2 PRO A 38 2.870 25.450 43.776 1.00 0.00 +ATOM 592 HG3 PRO A 38 1.412 26.478 43.651 1.00 0.00 +ATOM 593 C PRO A 38 1.691 28.218 47.055 1.00 0.00 +ATOM 594 O PRO A 38 2.287 29.261 47.322 1.00 0.00 +ATOM 595 N GLU A 39 0.375 28.106 46.948 1.00 0.00 +ATOM 596 H GLU A 39 0.023 27.275 46.493 1.00 0.00 +ATOM 597 CA GLU A 39 -0.515 29.219 47.231 1.00 0.00 +ATOM 598 HA GLU A 39 -0.202 30.117 46.698 1.00 0.00 +ATOM 599 CB GLU A 39 -1.994 28.935 46.888 1.00 0.00 +ATOM 600 HB2 GLU A 39 -2.666 29.750 47.159 1.00 0.00 +ATOM 601 HB3 GLU A 39 -2.395 28.025 47.335 1.00 0.00 +ATOM 602 CG GLU A 39 -2.203 28.849 45.341 1.00 0.00 +ATOM 603 HG2 GLU A 39 -1.750 29.740 44.906 1.00 0.00 +ATOM 604 HG3 GLU A 39 -1.526 28.124 44.887 1.00 0.00 +ATOM 605 CD GLU A 39 -3.631 28.608 44.836 1.00 0.00 +ATOM 606 OE1 GLU A 39 -4.386 27.860 45.527 1.00 0.00 +ATOM 607 OE2 GLU A 39 -3.994 29.073 43.716 1.00 0.00 +ATOM 608 C GLU A 39 -0.538 29.648 48.736 1.00 0.00 +ATOM 609 O GLU A 39 -0.824 30.776 49.133 1.00 0.00 +ATOM 610 N ALA A 40 -0.153 28.698 49.653 1.00 0.00 +ATOM 611 H ALA A 40 0.100 27.768 49.353 1.00 0.00 +ATOM 612 CA ALA A 40 0.096 29.061 51.110 1.00 0.00 +ATOM 613 HA ALA A 40 -0.547 29.886 51.416 1.00 0.00 +ATOM 614 CB ALA A 40 -0.328 27.951 52.036 1.00 0.00 +ATOM 615 HB1 ALA A 40 0.284 27.078 51.810 1.00 0.00 +ATOM 616 HB2 ALA A 40 -0.009 28.230 53.041 1.00 0.00 +ATOM 617 HB3 ALA A 40 -1.385 27.769 51.842 1.00 0.00 +ATOM 618 C ALA A 40 1.583 29.347 51.262 1.00 0.00 +ATOM 619 O ALA A 40 1.892 30.341 51.911 1.00 0.00 +ATOM 620 N PHE A 41 2.502 28.627 50.606 1.00 0.00 +ATOM 621 H PHE A 41 2.167 27.815 50.108 1.00 0.00 +ATOM 622 CA PHE A 41 3.947 28.777 50.909 1.00 0.00 +ATOM 623 HA PHE A 41 4.055 28.763 51.994 1.00 0.00 +ATOM 624 CB PHE A 41 4.735 27.571 50.504 1.00 0.00 +ATOM 625 HB2 PHE A 41 4.487 27.330 49.470 1.00 0.00 +ATOM 626 HB3 PHE A 41 4.510 26.662 51.061 1.00 0.00 +ATOM 627 CG PHE A 41 6.284 27.802 50.771 1.00 0.00 +ATOM 628 CD1 PHE A 41 6.692 28.112 52.069 1.00 0.00 +ATOM 629 HD1 PHE A 41 6.000 28.250 52.887 1.00 0.00 +ATOM 630 CD2 PHE A 41 7.214 27.716 49.724 1.00 0.00 +ATOM 631 HD2 PHE A 41 6.785 27.457 48.768 1.00 0.00 +ATOM 632 CE1 PHE A 41 8.050 28.368 52.279 1.00 0.00 +ATOM 633 HE1 PHE A 41 8.449 28.594 53.257 1.00 0.00 +ATOM 634 CE2 PHE A 41 8.605 27.851 49.975 1.00 0.00 +ATOM 635 HE2 PHE A 41 9.376 27.765 49.223 1.00 0.00 +ATOM 636 CZ PHE A 41 8.999 28.131 51.303 1.00 0.00 +ATOM 637 HZ PHE A 41 10.020 28.110 51.656 1.00 0.00 +ATOM 638 C PHE A 41 4.537 30.091 50.495 1.00 0.00 +ATOM 639 O PHE A 41 5.396 30.637 51.225 1.00 0.00 +ATOM 640 N LEU A 42 4.039 30.711 49.440 1.00 0.00 +ATOM 641 H LEU A 42 3.320 30.293 48.867 1.00 0.00 +ATOM 642 CA LEU A 42 4.444 32.124 49.134 1.00 0.00 +ATOM 643 HA LEU A 42 5.506 32.083 48.894 1.00 0.00 +ATOM 644 CB LEU A 42 3.776 32.605 47.900 1.00 0.00 +ATOM 645 HB2 LEU A 42 3.442 33.626 48.087 1.00 0.00 +ATOM 646 HB3 LEU A 42 2.856 32.041 47.749 1.00 0.00 +ATOM 647 CG LEU A 42 4.440 32.637 46.595 1.00 0.00 +ATOM 648 HG LEU A 42 3.647 32.783 45.862 1.00 0.00 +ATOM 649 CD1 LEU A 42 5.358 33.914 46.562 1.00 0.00 +ATOM 650 HD11 LEU A 42 5.807 34.136 47.530 1.00 0.00 +ATOM 651 HD12 LEU A 42 6.182 33.873 45.849 1.00 0.00 +ATOM 652 HD13 LEU A 42 4.810 34.838 46.376 1.00 0.00 +ATOM 653 CD2 LEU A 42 5.232 31.436 46.150 1.00 0.00 +ATOM 654 HD21 LEU A 42 4.575 30.569 46.082 1.00 0.00 +ATOM 655 HD22 LEU A 42 6.103 31.336 46.798 1.00 0.00 +ATOM 656 HD23 LEU A 42 5.617 31.622 45.147 1.00 0.00 +ATOM 657 C LEU A 42 4.204 33.087 50.358 1.00 0.00 +ATOM 658 O LEU A 42 5.053 33.868 50.685 1.00 0.00 +ATOM 659 N GLN A 43 3.072 32.970 51.099 1.00 0.00 +ATOM 660 H GLN A 43 2.501 32.143 51.000 1.00 0.00 +ATOM 661 CA GLN A 43 2.604 33.791 52.203 1.00 0.00 +ATOM 662 HA GLN A 43 2.563 34.854 51.963 1.00 0.00 +ATOM 663 CB GLN A 43 1.139 33.446 52.547 1.00 0.00 +ATOM 664 HB2 GLN A 43 0.829 34.237 53.229 1.00 0.00 +ATOM 665 HB3 GLN A 43 0.997 32.552 53.155 1.00 0.00 +ATOM 666 CG GLN A 43 0.218 33.472 51.270 1.00 0.00 +ATOM 667 HG2 GLN A 43 0.540 32.649 50.632 1.00 0.00 +ATOM 668 HG3 GLN A 43 0.388 34.447 50.813 1.00 0.00 +ATOM 669 CD GLN A 43 -1.244 33.360 51.722 1.00 0.00 +ATOM 670 OE1 GLN A 43 -1.595 32.799 52.779 1.00 0.00 +ATOM 671 NE2 GLN A 43 -2.172 33.808 50.884 1.00 0.00 +ATOM 672 HE21 GLN A 43 -1.937 34.326 50.049 1.00 0.00 +ATOM 673 HE22 GLN A 43 -3.135 33.529 51.007 1.00 0.00 +ATOM 674 C GLN A 43 3.576 33.671 53.376 1.00 0.00 +ATOM 675 O GLN A 43 3.867 34.613 54.014 1.00 0.00 +ATOM 676 N GLU A 44 4.130 32.426 53.635 1.00 0.00 +ATOM 677 H GLU A 44 3.734 31.642 53.136 1.00 0.00 +ATOM 678 CA GLU A 44 5.088 32.131 54.674 1.00 0.00 +ATOM 679 HA GLU A 44 4.814 32.823 55.471 1.00 0.00 +ATOM 680 CB GLU A 44 4.961 30.687 55.147 1.00 0.00 +ATOM 681 HB2 GLU A 44 5.633 30.061 54.560 1.00 0.00 +ATOM 682 HB3 GLU A 44 4.026 30.303 54.739 1.00 0.00 +ATOM 683 CG GLU A 44 5.009 30.259 56.629 1.00 0.00 +ATOM 684 HG2 GLU A 44 6.006 30.322 57.065 1.00 0.00 +ATOM 685 HG3 GLU A 44 4.788 29.200 56.760 1.00 0.00 +ATOM 686 CD GLU A 44 3.908 31.041 57.321 1.00 0.00 +ATOM 687 OE1 GLU A 44 2.712 30.726 57.419 1.00 0.00 +ATOM 688 OE2 GLU A 44 4.237 32.062 58.022 1.00 0.00 +ATOM 689 C GLU A 44 6.539 32.461 54.272 1.00 0.00 +ATOM 690 O GLU A 44 7.407 32.859 55.033 1.00 0.00 +ATOM 691 N ALA A 45 6.828 32.270 52.961 1.00 0.00 +ATOM 692 H ALA A 45 6.118 31.922 52.332 1.00 0.00 +ATOM 693 CA ALA A 45 8.134 32.631 52.448 1.00 0.00 +ATOM 694 HA ALA A 45 8.773 32.122 53.170 1.00 0.00 +ATOM 695 CB ALA A 45 8.378 32.179 50.979 1.00 0.00 +ATOM 696 HB1 ALA A 45 9.467 32.123 50.977 1.00 0.00 +ATOM 697 HB2 ALA A 45 8.016 32.997 50.356 1.00 0.00 +ATOM 698 HB3 ALA A 45 7.785 31.283 50.795 1.00 0.00 +ATOM 699 C ALA A 45 8.411 34.158 52.626 1.00 0.00 +ATOM 700 O ALA A 45 9.444 34.552 53.126 1.00 0.00 +ATOM 701 N GLN A 46 7.378 34.962 52.371 1.00 0.00 +ATOM 702 H GLN A 46 6.510 34.601 52.001 1.00 0.00 +ATOM 703 CA GLN A 46 7.456 36.433 52.516 1.00 0.00 +ATOM 704 HA GLN A 46 8.370 36.790 52.041 1.00 0.00 +ATOM 705 CB GLN A 46 6.236 37.108 51.868 1.00 0.00 +ATOM 706 HB2 GLN A 46 5.342 36.754 52.381 1.00 0.00 +ATOM 707 HB3 GLN A 46 6.272 38.100 52.318 1.00 0.00 +ATOM 708 CG GLN A 46 6.203 37.085 50.286 1.00 0.00 +ATOM 709 HG2 GLN A 46 5.248 37.534 50.014 1.00 0.00 +ATOM 710 HG3 GLN A 46 6.144 36.005 50.157 1.00 0.00 +ATOM 711 CD GLN A 46 7.313 37.758 49.508 1.00 0.00 +ATOM 712 OE1 GLN A 46 8.271 37.110 49.132 1.00 0.00 +ATOM 713 NE2 GLN A 46 7.247 39.058 49.413 1.00 0.00 +ATOM 714 HE21 GLN A 46 6.438 39.541 49.777 1.00 0.00 +ATOM 715 HE22 GLN A 46 7.809 39.406 48.649 1.00 0.00 +ATOM 716 C GLN A 46 7.581 36.871 53.965 1.00 0.00 +ATOM 717 O GLN A 46 8.130 37.981 54.073 1.00 0.00 +ATOM 718 N VAL A 47 7.228 36.125 55.017 1.00 0.00 +ATOM 719 H VAL A 47 6.902 35.190 54.815 1.00 0.00 +ATOM 720 CA VAL A 47 7.622 36.490 56.440 1.00 0.00 +ATOM 721 HA VAL A 47 7.906 37.539 56.527 1.00 0.00 +ATOM 722 CB VAL A 47 6.405 36.348 57.441 1.00 0.00 +ATOM 723 HB VAL A 47 6.639 36.511 58.493 1.00 0.00 +ATOM 724 CG1 VAL A 47 5.352 37.327 56.932 1.00 0.00 +ATOM 725 HG11 VAL A 47 4.394 37.291 57.450 1.00 0.00 +ATOM 726 HG12 VAL A 47 5.055 37.015 55.930 1.00 0.00 +ATOM 727 HG13 VAL A 47 5.696 38.346 57.109 1.00 0.00 +ATOM 728 CG2 VAL A 47 5.793 34.956 57.493 1.00 0.00 +ATOM 729 HG21 VAL A 47 6.617 34.354 57.876 1.00 0.00 +ATOM 730 HG22 VAL A 47 5.481 34.699 56.480 1.00 0.00 +ATOM 731 HG23 VAL A 47 5.008 34.903 58.247 1.00 0.00 +ATOM 732 C VAL A 47 8.881 35.678 56.929 1.00 0.00 +ATOM 733 O VAL A 47 9.710 36.215 57.655 1.00 0.00 +ATOM 734 N MET A 48 9.116 34.483 56.523 1.00 0.00 +ATOM 735 H MET A 48 8.456 33.978 55.949 1.00 0.00 +ATOM 736 CA MET A 48 10.405 33.749 56.831 1.00 0.00 +ATOM 737 HA MET A 48 10.524 33.771 57.914 1.00 0.00 +ATOM 738 CB MET A 48 10.315 32.287 56.317 1.00 0.00 +ATOM 739 HB2 MET A 48 11.217 31.718 56.546 1.00 0.00 +ATOM 740 HB3 MET A 48 10.167 32.298 55.237 1.00 0.00 +ATOM 741 CG MET A 48 9.162 31.417 56.961 1.00 0.00 +ATOM 742 HG2 MET A 48 8.206 31.940 56.936 1.00 0.00 +ATOM 743 HG3 MET A 48 9.325 31.060 57.978 1.00 0.00 +ATOM 744 SD MET A 48 9.012 29.754 56.118 1.00 0.00 +ATOM 745 CE MET A 48 10.554 28.820 56.642 1.00 0.00 +ATOM 746 HE1 MET A 48 10.505 28.804 57.730 1.00 0.00 +ATOM 747 HE2 MET A 48 11.480 29.253 56.262 1.00 0.00 +ATOM 748 HE3 MET A 48 10.480 27.786 56.306 1.00 0.00 +ATOM 749 C MET A 48 11.679 34.361 56.315 1.00 0.00 +ATOM 750 O MET A 48 12.720 34.195 56.927 1.00 0.00 +ATOM 751 N LYS A 49 11.580 35.003 55.091 1.00 0.00 +ATOM 752 H LYS A 49 10.713 34.886 54.587 1.00 0.00 +ATOM 753 CA LYS A 49 12.775 35.805 54.618 1.00 0.00 +ATOM 754 HA LYS A 49 13.667 35.184 54.690 1.00 0.00 +ATOM 755 CB LYS A 49 12.626 36.181 53.110 1.00 0.00 +ATOM 756 HB2 LYS A 49 11.716 36.774 53.026 1.00 0.00 +ATOM 757 HB3 LYS A 49 13.495 36.809 52.912 1.00 0.00 +ATOM 758 CG LYS A 49 12.541 34.909 52.205 1.00 0.00 +ATOM 759 HG2 LYS A 49 11.694 34.258 52.418 1.00 0.00 +ATOM 760 HG3 LYS A 49 13.378 34.253 52.444 1.00 0.00 +ATOM 761 CD LYS A 49 12.573 35.308 50.743 1.00 0.00 +ATOM 762 HD2 LYS A 49 13.361 36.054 50.642 1.00 0.00 +ATOM 763 HD3 LYS A 49 12.977 34.425 50.247 1.00 0.00 +ATOM 764 CE LYS A 49 11.205 35.730 50.261 1.00 0.00 +ATOM 765 HE2 LYS A 49 10.861 36.682 50.665 1.00 0.00 +ATOM 766 HE3 LYS A 49 10.386 35.159 50.698 1.00 0.00 +ATOM 767 NZ LYS A 49 11.051 35.640 48.741 1.00 0.00 +ATOM 768 HZ1 LYS A 49 11.770 36.196 48.301 1.00 0.00 +ATOM 769 HZ2 LYS A 49 11.240 34.734 48.339 1.00 0.00 +ATOM 770 HZ3 LYS A 49 10.129 35.979 48.503 1.00 0.00 +ATOM 771 C LYS A 49 13.068 37.009 55.489 1.00 0.00 +ATOM 772 O LYS A 49 14.318 37.359 55.491 1.00 0.00 +ATOM 773 N LYS A 50 12.085 37.624 56.163 1.00 0.00 +ATOM 774 H LYS A 50 11.163 37.214 56.145 1.00 0.00 +ATOM 775 CA LYS A 50 12.070 39.000 56.817 1.00 0.00 +ATOM 776 HA LYS A 50 12.962 39.539 56.500 1.00 0.00 +ATOM 777 CB LYS A 50 10.802 39.768 56.412 1.00 0.00 +ATOM 778 HB2 LYS A 50 10.544 40.596 57.072 1.00 0.00 +ATOM 779 HB3 LYS A 50 9.983 39.065 56.561 1.00 0.00 +ATOM 780 CG LYS A 50 10.772 40.186 54.933 1.00 0.00 +ATOM 781 HG2 LYS A 50 11.608 40.802 54.601 1.00 0.00 +ATOM 782 HG3 LYS A 50 10.655 39.301 54.309 1.00 0.00 +ATOM 783 CD LYS A 50 9.529 41.046 54.647 1.00 0.00 +ATOM 784 HD2 LYS A 50 8.609 40.496 54.843 1.00 0.00 +ATOM 785 HD3 LYS A 50 9.642 41.861 55.361 1.00 0.00 +ATOM 786 CE LYS A 50 9.524 41.643 53.167 1.00 0.00 +ATOM 787 HE2 LYS A 50 9.304 40.809 52.500 1.00 0.00 +ATOM 788 HE3 LYS A 50 10.509 42.013 52.883 1.00 0.00 +ATOM 789 NZ LYS A 50 8.407 42.658 53.049 1.00 0.00 +ATOM 790 HZ1 LYS A 50 8.527 43.172 52.187 1.00 0.00 +ATOM 791 HZ2 LYS A 50 7.485 42.249 53.096 1.00 0.00 +ATOM 792 HZ3 LYS A 50 8.338 43.320 53.808 1.00 0.00 +ATOM 793 C LYS A 50 12.255 38.941 58.337 1.00 0.00 +ATOM 794 O LYS A 50 12.736 39.919 58.884 1.00 0.00 +ATOM 795 N LEU A 51 12.073 37.795 58.999 1.00 0.00 +ATOM 796 H LEU A 51 11.713 36.968 58.544 1.00 0.00 +ATOM 797 CA LEU A 51 12.193 37.580 60.449 1.00 0.00 +ATOM 798 HA LEU A 51 11.908 38.528 60.903 1.00 0.00 +ATOM 799 CB LEU A 51 11.216 36.386 60.907 1.00 0.00 +ATOM 800 HB2 LEU A 51 11.396 36.064 61.933 1.00 0.00 +ATOM 801 HB3 LEU A 51 11.310 35.513 60.261 1.00 0.00 +ATOM 802 CG LEU A 51 9.696 36.802 60.878 1.00 0.00 +ATOM 803 HG LEU A 51 9.517 37.099 59.844 1.00 0.00 +ATOM 804 CD1 LEU A 51 8.918 35.563 61.271 1.00 0.00 +ATOM 805 HD11 LEU A 51 7.848 35.723 61.138 1.00 0.00 +ATOM 806 HD12 LEU A 51 9.196 34.657 60.732 1.00 0.00 +ATOM 807 HD13 LEU A 51 9.145 35.288 62.301 1.00 0.00 +ATOM 808 CD2 LEU A 51 9.435 38.085 61.792 1.00 0.00 +ATOM 809 HD21 LEU A 51 9.733 38.069 62.841 1.00 0.00 +ATOM 810 HD22 LEU A 51 8.348 38.059 61.714 1.00 0.00 +ATOM 811 HD23 LEU A 51 9.744 39.012 61.309 1.00 0.00 +ATOM 812 C LEU A 51 13.654 37.345 60.753 1.00 0.00 +ATOM 813 O LEU A 51 14.020 36.239 61.025 1.00 0.00 +ATOM 814 N ARG A 52 14.541 38.382 60.796 1.00 0.00 +ATOM 815 H ARG A 52 14.184 39.282 60.509 1.00 0.00 +ATOM 816 CA ARG A 52 16.040 38.202 60.865 1.00 0.00 +ATOM 817 HA ARG A 52 16.310 37.146 60.877 1.00 0.00 +ATOM 818 CB ARG A 52 16.663 38.806 59.555 1.00 0.00 +ATOM 819 HB2 ARG A 52 16.379 39.856 59.499 1.00 0.00 +ATOM 820 HB3 ARG A 52 17.741 38.659 59.630 1.00 0.00 +ATOM 821 CG ARG A 52 16.385 38.041 58.245 1.00 0.00 +ATOM 822 HG2 ARG A 52 16.646 37.002 58.447 1.00 0.00 +ATOM 823 HG3 ARG A 52 15.319 37.979 58.023 1.00 0.00 +ATOM 824 CD ARG A 52 17.087 38.546 56.931 1.00 0.00 +ATOM 825 HD2 ARG A 52 16.814 37.804 56.181 1.00 0.00 +ATOM 826 HD3 ARG A 52 18.169 38.615 57.038 1.00 0.00 +ATOM 827 NE ARG A 52 16.617 39.874 56.441 1.00 0.00 +ATOM 828 HE ARG A 52 16.049 39.899 55.606 1.00 0.00 +ATOM 829 CZ ARG A 52 17.018 41.056 56.745 1.00 0.00 +ATOM 830 NH1 ARG A 52 17.972 41.279 57.644 1.00 0.00 +ATOM 831 HH11 ARG A 52 18.149 42.225 57.950 1.00 0.00 +ATOM 832 HH12 ARG A 52 18.545 40.550 58.044 1.00 0.00 +ATOM 833 NH2 ARG A 52 16.551 42.155 56.288 1.00 0.00 +ATOM 834 HH21 ARG A 52 15.751 42.073 55.677 1.00 0.00 +ATOM 835 HH22 ARG A 52 16.977 43.004 56.632 1.00 0.00 +ATOM 836 C ARG A 52 16.658 38.768 62.143 1.00 0.00 +ATOM 837 O ARG A 52 17.656 39.461 62.206 1.00 0.00 +ATOM 838 N HIS A 53 15.997 38.602 63.306 1.00 0.00 +ATOM 839 H HIS A 53 15.088 38.163 63.267 1.00 0.00 +ATOM 840 CA HIS A 53 16.676 38.719 64.675 1.00 0.00 +ATOM 841 HA HIS A 53 17.205 39.672 64.680 1.00 0.00 +ATOM 842 ND1 HIS A 53 15.688 37.813 68.283 1.00 0.00 +ATOM 843 HD1 HIS A 53 14.950 37.125 68.247 1.00 0.00 +ATOM 844 CG HIS A 53 16.084 38.660 67.239 1.00 0.00 +ATOM 845 CB HIS A 53 15.636 38.498 65.764 1.00 0.00 +ATOM 846 HB2 HIS A 53 15.199 37.506 65.646 1.00 0.00 +ATOM 847 HB3 HIS A 53 14.780 39.153 65.602 1.00 0.00 +ATOM 848 NE2 HIS A 53 17.244 39.155 69.114 1.00 0.00 +ATOM 849 CD2 HIS A 53 17.085 39.456 67.743 1.00 0.00 +ATOM 850 HD2 HIS A 53 17.731 40.156 67.233 1.00 0.00 +ATOM 851 CE1 HIS A 53 16.357 38.130 69.386 1.00 0.00 +ATOM 852 HE1 HIS A 53 16.311 37.597 70.324 1.00 0.00 +ATOM 853 C HIS A 53 17.715 37.609 64.760 1.00 0.00 +ATOM 854 O HIS A 53 17.629 36.416 64.457 1.00 0.00 +ATOM 855 N GLU A 54 18.861 38.060 65.351 1.00 0.00 +ATOM 856 H GLU A 54 18.974 39.031 65.606 1.00 0.00 +ATOM 857 CA GLU A 54 20.098 37.232 65.301 1.00 0.00 +ATOM 858 HA GLU A 54 20.220 36.904 64.268 1.00 0.00 +ATOM 859 CB GLU A 54 21.301 38.053 65.757 1.00 0.00 +ATOM 860 HB2 GLU A 54 22.232 37.501 65.622 1.00 0.00 +ATOM 861 HB3 GLU A 54 21.413 38.863 65.036 1.00 0.00 +ATOM 862 CG GLU A 54 21.114 38.753 67.127 1.00 0.00 +ATOM 863 HG2 GLU A 54 20.608 39.690 66.894 1.00 0.00 +ATOM 864 HG3 GLU A 54 20.534 38.107 67.787 1.00 0.00 +ATOM 865 CD GLU A 54 22.483 38.896 67.800 1.00 0.00 +ATOM 866 OE1 GLU A 54 22.644 38.121 68.763 1.00 0.00 +ATOM 867 OE2 GLU A 54 23.352 39.689 67.334 1.00 0.00 +ATOM 868 C GLU A 54 20.081 35.847 66.073 1.00 0.00 +ATOM 869 O GLU A 54 20.938 35.006 65.808 1.00 0.00 +ATOM 870 N LYS A 55 19.005 35.588 66.889 1.00 0.00 +ATOM 871 H LYS A 55 18.247 36.244 67.015 1.00 0.00 +ATOM 872 CA LYS A 55 18.693 34.207 67.343 1.00 0.00 +ATOM 873 HA LYS A 55 19.628 33.671 67.179 1.00 0.00 +ATOM 874 CB LYS A 55 18.185 34.068 68.754 1.00 0.00 +ATOM 875 HB2 LYS A 55 17.097 34.100 68.709 1.00 0.00 +ATOM 876 HB3 LYS A 55 18.590 33.138 69.153 1.00 0.00 +ATOM 877 CG LYS A 55 18.616 35.105 69.798 1.00 0.00 +ATOM 878 HG2 LYS A 55 18.137 36.053 69.551 1.00 0.00 +ATOM 879 HG3 LYS A 55 18.179 34.731 70.724 1.00 0.00 +ATOM 880 CD LYS A 55 20.027 35.397 69.973 1.00 0.00 +ATOM 881 HD2 LYS A 55 20.532 34.458 70.201 1.00 0.00 +ATOM 882 HD3 LYS A 55 20.319 35.703 68.969 1.00 0.00 +ATOM 883 CE LYS A 55 20.369 36.566 70.942 1.00 0.00 +ATOM 884 HE2 LYS A 55 20.039 36.315 71.950 1.00 0.00 +ATOM 885 HE3 LYS A 55 19.780 37.437 70.654 1.00 0.00 +ATOM 886 NZ LYS A 55 21.882 36.806 71.029 1.00 0.00 +ATOM 887 HZ1 LYS A 55 22.099 37.344 70.203 1.00 0.00 +ATOM 888 HZ2 LYS A 55 22.320 35.898 70.961 1.00 0.00 +ATOM 889 HZ3 LYS A 55 22.253 37.286 71.837 1.00 0.00 +ATOM 890 C LYS A 55 17.824 33.416 66.491 1.00 0.00 +ATOM 891 O LYS A 55 17.355 32.287 66.856 1.00 0.00 +ATOM 892 N LEU A 56 17.487 33.785 65.266 1.00 0.00 +ATOM 893 H LEU A 56 17.907 34.612 64.867 1.00 0.00 +ATOM 894 CA LEU A 56 16.863 33.029 64.222 1.00 0.00 +ATOM 895 HA LEU A 56 16.604 32.000 64.470 1.00 0.00 +ATOM 896 CB LEU A 56 15.620 33.858 63.706 1.00 0.00 +ATOM 897 HB2 LEU A 56 15.989 34.708 63.132 1.00 0.00 +ATOM 898 HB3 LEU A 56 15.138 33.306 62.900 1.00 0.00 +ATOM 899 CG LEU A 56 14.479 34.220 64.662 1.00 0.00 +ATOM 900 HG LEU A 56 14.944 34.899 65.376 1.00 0.00 +ATOM 901 CD1 LEU A 56 13.273 34.891 63.960 1.00 0.00 +ATOM 902 HD11 LEU A 56 13.109 34.173 63.157 1.00 0.00 +ATOM 903 HD12 LEU A 56 12.422 35.107 64.605 1.00 0.00 +ATOM 904 HD13 LEU A 56 13.513 35.904 63.637 1.00 0.00 +ATOM 905 CD2 LEU A 56 13.946 33.041 65.392 1.00 0.00 +ATOM 906 HD21 LEU A 56 13.697 32.232 64.705 1.00 0.00 +ATOM 907 HD22 LEU A 56 14.739 32.707 66.061 1.00 0.00 +ATOM 908 HD23 LEU A 56 13.103 33.261 66.047 1.00 0.00 +ATOM 909 C LEU A 56 17.938 32.902 63.161 1.00 0.00 +ATOM 910 O LEU A 56 18.744 33.858 62.839 1.00 0.00 +ATOM 911 N VAL A 57 17.929 31.727 62.526 1.00 0.00 +ATOM 912 H VAL A 57 17.197 31.089 62.805 1.00 0.00 +ATOM 913 CA VAL A 57 18.777 31.276 61.397 1.00 0.00 +ATOM 914 HA VAL A 57 19.772 31.591 61.714 1.00 0.00 +ATOM 915 CB VAL A 57 18.621 29.685 61.281 1.00 0.00 +ATOM 916 HB VAL A 57 18.394 29.393 62.307 1.00 0.00 +ATOM 917 CG1 VAL A 57 17.464 29.121 60.377 1.00 0.00 +ATOM 918 HG11 VAL A 57 17.402 28.033 60.377 1.00 0.00 +ATOM 919 HG12 VAL A 57 17.621 29.513 59.372 1.00 0.00 +ATOM 920 HG13 VAL A 57 16.543 29.516 60.806 1.00 0.00 +ATOM 921 CG2 VAL A 57 19.963 29.087 60.840 1.00 0.00 +ATOM 922 HG21 VAL A 57 20.763 29.269 61.557 1.00 0.00 +ATOM 923 HG22 VAL A 57 19.950 28.002 60.741 1.00 0.00 +ATOM 924 HG23 VAL A 57 20.269 29.434 59.852 1.00 0.00 +ATOM 925 C VAL A 57 18.473 32.056 60.156 1.00 0.00 +ATOM 926 O VAL A 57 17.274 32.199 59.857 1.00 0.00 +ATOM 927 N GLN A 58 19.460 32.632 59.494 1.00 0.00 +ATOM 928 H GLN A 58 20.423 32.627 59.801 1.00 0.00 +ATOM 929 CA GLN A 58 19.337 33.133 58.079 1.00 0.00 +ATOM 930 HA GLN A 58 18.582 33.918 58.037 1.00 0.00 +ATOM 931 CB GLN A 58 20.748 33.659 57.580 1.00 0.00 +ATOM 932 HB2 GLN A 58 20.983 34.387 58.357 1.00 0.00 +ATOM 933 HB3 GLN A 58 21.393 32.780 57.613 1.00 0.00 +ATOM 934 CG GLN A 58 20.697 34.361 56.211 1.00 0.00 +ATOM 935 HG2 GLN A 58 20.768 33.636 55.400 1.00 0.00 +ATOM 936 HG3 GLN A 58 21.585 34.994 56.207 1.00 0.00 +ATOM 937 CD GLN A 58 19.495 35.297 55.820 1.00 0.00 +ATOM 938 OE1 GLN A 58 18.322 35.195 56.193 1.00 0.00 +ATOM 939 NE2 GLN A 58 19.731 36.180 54.908 1.00 0.00 +ATOM 940 HE21 GLN A 58 20.657 36.438 54.600 1.00 0.00 +ATOM 941 HE22 GLN A 58 19.008 36.857 54.708 1.00 0.00 +ATOM 942 C GLN A 58 18.753 32.006 57.074 1.00 0.00 +ATOM 943 O GLN A 58 19.094 30.834 57.157 1.00 0.00 +ATOM 944 N LEU A 59 17.928 32.464 56.216 1.00 0.00 +ATOM 945 H LEU A 59 17.618 33.406 56.406 1.00 0.00 +ATOM 946 CA LEU A 59 17.161 31.774 55.201 1.00 0.00 +ATOM 947 HA LEU A 59 17.653 30.804 55.126 1.00 0.00 +ATOM 948 CB LEU A 59 15.654 31.573 55.664 1.00 0.00 +ATOM 949 HB2 LEU A 59 15.192 32.559 55.716 1.00 0.00 +ATOM 950 HB3 LEU A 59 15.657 31.243 56.703 1.00 0.00 +ATOM 951 CG LEU A 59 14.924 30.514 54.875 1.00 0.00 +ATOM 952 HG LEU A 59 15.309 29.567 55.256 1.00 0.00 +ATOM 953 CD1 LEU A 59 13.441 30.602 55.192 1.00 0.00 +ATOM 954 HD11 LEU A 59 12.965 31.507 54.813 1.00 0.00 +ATOM 955 HD12 LEU A 59 12.988 29.732 54.717 1.00 0.00 +ATOM 956 HD13 LEU A 59 13.334 30.488 56.271 1.00 0.00 +ATOM 957 CD2 LEU A 59 15.026 30.513 53.372 1.00 0.00 +ATOM 958 HD21 LEU A 59 15.093 31.529 52.984 1.00 0.00 +ATOM 959 HD22 LEU A 59 14.137 30.045 52.948 1.00 0.00 +ATOM 960 HD23 LEU A 59 15.944 29.981 53.121 1.00 0.00 +ATOM 961 C LEU A 59 17.456 32.449 53.867 1.00 0.00 +ATOM 962 O LEU A 59 17.182 33.637 53.602 1.00 0.00 +ATOM 963 N TYR A 60 18.260 31.797 53.001 1.00 0.00 +ATOM 964 H TYR A 60 18.673 30.939 53.338 1.00 0.00 +ATOM 965 CA TYR A 60 18.752 32.403 51.755 1.00 0.00 +ATOM 966 HA TYR A 60 18.910 33.471 51.905 1.00 0.00 +ATOM 967 CB TYR A 60 20.125 31.816 51.448 1.00 0.00 +ATOM 968 HB2 TYR A 60 20.037 30.734 51.348 1.00 0.00 +ATOM 969 HB3 TYR A 60 20.435 32.141 50.455 1.00 0.00 +ATOM 970 CG TYR A 60 21.180 32.229 52.408 1.00 0.00 +ATOM 971 CD1 TYR A 60 21.589 33.583 52.630 1.00 0.00 +ATOM 972 HD1 TYR A 60 21.192 34.377 52.015 1.00 0.00 +ATOM 973 CD2 TYR A 60 21.869 31.207 53.082 1.00 0.00 +ATOM 974 HD2 TYR A 60 21.564 30.184 52.914 1.00 0.00 +ATOM 975 CE1 TYR A 60 22.689 33.896 53.428 1.00 0.00 +ATOM 976 HE1 TYR A 60 23.070 34.904 53.501 1.00 0.00 +ATOM 977 CE2 TYR A 60 22.963 31.552 53.886 1.00 0.00 +ATOM 978 HE2 TYR A 60 23.485 30.790 54.445 1.00 0.00 +ATOM 979 CZ TYR A 60 23.364 32.896 54.074 1.00 0.00 +ATOM 980 OH TYR A 60 24.479 33.185 54.784 1.00 0.00 +ATOM 981 HH TYR A 60 24.764 32.551 55.446 1.00 0.00 +ATOM 982 C TYR A 60 17.861 32.318 50.592 1.00 0.00 +ATOM 983 O TYR A 60 17.397 33.353 50.060 1.00 0.00 +ATOM 984 N ALA A 61 17.685 31.087 50.137 1.00 0.00 +ATOM 985 H ALA A 61 18.072 30.336 50.690 1.00 0.00 +ATOM 986 CA ALA A 61 16.968 30.735 48.920 1.00 0.00 +ATOM 987 HA ALA A 61 16.385 31.597 48.598 1.00 0.00 +ATOM 988 CB ALA A 61 18.014 30.469 47.819 1.00 0.00 +ATOM 989 HB1 ALA A 61 18.821 31.189 47.957 1.00 0.00 +ATOM 990 HB2 ALA A 61 17.477 30.598 46.879 1.00 0.00 +ATOM 991 HB3 ALA A 61 18.456 29.480 47.940 1.00 0.00 +ATOM 992 C ALA A 61 15.894 29.619 49.110 1.00 0.00 +ATOM 993 O ALA A 61 15.902 28.889 50.103 1.00 0.00 +ATOM 994 N VAL A 62 14.939 29.679 48.185 1.00 0.00 +ATOM 995 H VAL A 62 15.145 30.280 47.399 1.00 0.00 +ATOM 996 CA VAL A 62 13.839 28.627 48.106 1.00 0.00 +ATOM 997 HA VAL A 62 14.358 27.777 48.548 1.00 0.00 +ATOM 998 CB VAL A 62 12.542 28.997 48.908 1.00 0.00 +ATOM 999 HB VAL A 62 11.855 28.203 48.616 1.00 0.00 +ATOM 1000 CG1 VAL A 62 12.780 29.061 50.379 1.00 0.00 +ATOM 1001 HG11 VAL A 62 13.407 29.920 50.618 1.00 0.00 +ATOM 1002 HG12 VAL A 62 11.861 29.189 50.952 1.00 0.00 +ATOM 1003 HG13 VAL A 62 13.290 28.145 50.677 1.00 0.00 +ATOM 1004 CG2 VAL A 62 11.798 30.303 48.479 1.00 0.00 +ATOM 1005 HG21 VAL A 62 11.473 30.138 47.452 1.00 0.00 +ATOM 1006 HG22 VAL A 62 10.926 30.435 49.119 1.00 0.00 +ATOM 1007 HG23 VAL A 62 12.393 31.204 48.629 1.00 0.00 +ATOM 1008 C VAL A 62 13.544 28.385 46.645 1.00 0.00 +ATOM 1009 O VAL A 62 13.455 29.382 45.914 1.00 0.00 +ATOM 1010 N VAL A 63 13.354 27.080 46.288 1.00 0.00 +ATOM 1011 H VAL A 63 13.307 26.420 47.051 1.00 0.00 +ATOM 1012 CA VAL A 63 12.556 26.767 45.068 1.00 0.00 +ATOM 1013 HA VAL A 63 12.720 27.505 44.283 1.00 0.00 +ATOM 1014 CB VAL A 63 12.934 25.415 44.517 1.00 0.00 +ATOM 1015 HB VAL A 63 12.596 24.576 45.126 1.00 0.00 +ATOM 1016 CG1 VAL A 63 12.232 25.145 43.250 1.00 0.00 +ATOM 1017 HG11 VAL A 63 12.475 25.931 42.535 1.00 0.00 +ATOM 1018 HG12 VAL A 63 11.171 25.036 43.477 1.00 0.00 +ATOM 1019 HG13 VAL A 63 12.566 24.227 42.767 1.00 0.00 +ATOM 1020 CG2 VAL A 63 14.442 25.219 44.213 1.00 0.00 +ATOM 1021 HG21 VAL A 63 15.032 25.451 45.100 1.00 0.00 +ATOM 1022 HG22 VAL A 63 14.925 25.920 43.532 1.00 0.00 +ATOM 1023 HG23 VAL A 63 14.617 24.165 44.000 1.00 0.00 +ATOM 1024 C VAL A 63 11.103 26.921 45.569 1.00 0.00 +ATOM 1025 O VAL A 63 10.696 26.061 46.316 1.00 0.00 +ATOM 1026 N SER A 64 10.182 27.759 45.038 1.00 0.00 +ATOM 1027 H SER A 64 10.543 28.510 44.468 1.00 0.00 +ATOM 1028 CA SER A 64 8.799 27.985 45.511 1.00 0.00 +ATOM 1029 HA SER A 64 8.824 28.035 46.600 1.00 0.00 +ATOM 1030 CB SER A 64 8.447 29.374 45.013 1.00 0.00 +ATOM 1031 HB2 SER A 64 7.401 29.567 45.251 1.00 0.00 +ATOM 1032 HB3 SER A 64 9.141 30.023 45.546 1.00 0.00 +ATOM 1033 OG SER A 64 8.808 29.518 43.657 1.00 0.00 +ATOM 1034 HG SER A 64 7.995 29.613 43.156 1.00 0.00 +ATOM 1035 C SER A 64 7.698 27.027 45.081 1.00 0.00 +ATOM 1036 O SER A 64 6.559 27.108 45.561 1.00 0.00 +ATOM 1037 N GLU A 65 8.054 25.974 44.332 1.00 0.00 +ATOM 1038 H GLU A 65 8.981 25.870 43.944 1.00 0.00 +ATOM 1039 CA GLU A 65 7.047 25.020 43.808 1.00 0.00 +ATOM 1040 HA GLU A 65 6.132 25.022 44.400 1.00 0.00 +ATOM 1041 CB GLU A 65 6.629 25.281 42.379 1.00 0.00 +ATOM 1042 HB2 GLU A 65 5.760 24.735 42.012 1.00 0.00 +ATOM 1043 HB3 GLU A 65 6.228 26.293 42.327 1.00 0.00 +ATOM 1044 CG GLU A 65 7.732 24.943 41.353 1.00 0.00 +ATOM 1045 HG2 GLU A 65 8.053 23.907 41.240 1.00 0.00 +ATOM 1046 HG3 GLU A 65 8.683 25.430 41.571 1.00 0.00 +ATOM 1047 CD GLU A 65 7.260 25.357 39.915 1.00 0.00 +ATOM 1048 OE1 GLU A 65 7.910 26.295 39.368 1.00 0.00 +ATOM 1049 OE2 GLU A 65 6.289 24.736 39.397 1.00 0.00 +ATOM 1050 C GLU A 65 7.488 23.570 44.082 1.00 0.00 +ATOM 1051 O GLU A 65 8.655 23.299 44.206 1.00 0.00 +ATOM 1052 N GLU A 66 6.567 22.600 44.210 1.00 0.00 +ATOM 1053 H GLU A 66 5.591 22.739 43.990 1.00 0.00 +ATOM 1054 CA GLU A 66 6.850 21.240 44.592 1.00 0.00 +ATOM 1055 HA GLU A 66 7.437 21.297 45.509 1.00 0.00 +ATOM 1056 CB GLU A 66 5.615 20.369 44.996 1.00 0.00 +ATOM 1057 HB2 GLU A 66 4.816 20.346 44.255 1.00 0.00 +ATOM 1058 HB3 GLU A 66 6.018 19.374 45.183 1.00 0.00 +ATOM 1059 CG GLU A 66 4.997 20.863 46.303 1.00 0.00 +ATOM 1060 HG2 GLU A 66 5.250 21.924 46.312 1.00 0.00 +ATOM 1061 HG3 GLU A 66 3.914 20.822 46.182 1.00 0.00 +ATOM 1062 CD GLU A 66 5.560 20.176 47.528 1.00 0.00 +ATOM 1063 OE1 GLU A 66 4.723 19.576 48.191 1.00 0.00 +ATOM 1064 OE2 GLU A 66 6.794 20.280 47.806 1.00 0.00 +ATOM 1065 C GLU A 66 7.607 20.491 43.522 1.00 0.00 +ATOM 1066 O GLU A 66 7.100 20.590 42.356 1.00 0.00 +ATOM 1067 N PRO A 67 8.681 19.721 43.725 1.00 0.00 +ATOM 1068 CA PRO A 67 9.171 19.522 45.132 1.00 0.00 +ATOM 1069 HA PRO A 67 8.374 19.316 45.847 1.00 0.00 +ATOM 1070 CD PRO A 67 9.367 18.731 42.793 1.00 0.00 +ATOM 1071 HD2 PRO A 67 10.007 19.182 42.035 1.00 0.00 +ATOM 1072 HD3 PRO A 67 8.708 18.049 42.256 1.00 0.00 +ATOM 1073 CB PRO A 67 9.947 18.146 45.091 1.00 0.00 +ATOM 1074 HB2 PRO A 67 10.804 18.169 45.765 1.00 0.00 +ATOM 1075 HB3 PRO A 67 9.238 17.347 45.306 1.00 0.00 +ATOM 1076 CG PRO A 67 10.358 17.953 43.655 1.00 0.00 +ATOM 1077 HG2 PRO A 67 11.354 18.342 43.445 1.00 0.00 +ATOM 1078 HG3 PRO A 67 10.418 16.879 43.477 1.00 0.00 +ATOM 1079 C PRO A 67 10.075 20.685 45.656 1.00 0.00 +ATOM 1080 O PRO A 67 11.095 21.046 45.042 1.00 0.00 +ATOM 1081 N ILE A 68 9.767 21.172 46.881 1.00 0.00 +ATOM 1082 H ILE A 68 9.075 20.751 47.485 1.00 0.00 +ATOM 1083 CA ILE A 68 10.323 22.413 47.340 1.00 0.00 +ATOM 1084 HA ILE A 68 10.475 22.987 46.426 1.00 0.00 +ATOM 1085 CB ILE A 68 9.339 23.152 48.195 1.00 0.00 +ATOM 1086 HB ILE A 68 8.898 22.445 48.898 1.00 0.00 +ATOM 1087 CG1 ILE A 68 8.149 23.744 47.468 1.00 0.00 +ATOM 1088 HG12 ILE A 68 7.713 22.926 46.896 1.00 0.00 +ATOM 1089 HG13 ILE A 68 8.556 24.532 46.834 1.00 0.00 +ATOM 1090 CG2 ILE A 68 9.994 24.225 49.174 1.00 0.00 +ATOM 1091 HG21 ILE A 68 10.588 24.924 48.585 1.00 0.00 +ATOM 1092 HG22 ILE A 68 10.634 23.766 49.928 1.00 0.00 +ATOM 1093 HG23 ILE A 68 9.302 24.767 49.819 1.00 0.00 +ATOM 1094 CD1 ILE A 68 7.118 24.254 48.375 1.00 0.00 +ATOM 1095 HD11 ILE A 68 6.254 24.544 47.776 1.00 0.00 +ATOM 1096 HD12 ILE A 68 7.454 25.198 48.803 1.00 0.00 +ATOM 1097 HD13 ILE A 68 6.923 23.469 49.105 1.00 0.00 +ATOM 1098 C ILE A 68 11.653 22.196 47.978 1.00 0.00 +ATOM 1099 O ILE A 68 11.883 21.206 48.703 1.00 0.00 +ATOM 1100 N TYR A 69 12.477 23.171 47.814 1.00 0.00 +ATOM 1101 H TYR A 69 12.101 23.967 47.317 1.00 0.00 +ATOM 1102 CA TYR A 69 13.771 23.274 48.462 1.00 0.00 +ATOM 1103 HA TYR A 69 14.055 22.456 49.124 1.00 0.00 +ATOM 1104 CB TYR A 69 14.825 23.293 47.365 1.00 0.00 +ATOM 1105 HB2 TYR A 69 14.500 23.895 46.517 1.00 0.00 +ATOM 1106 HB3 TYR A 69 15.719 23.852 47.641 1.00 0.00 +ATOM 1107 CG TYR A 69 15.372 21.948 46.801 1.00 0.00 +ATOM 1108 CD1 TYR A 69 14.669 21.312 45.742 1.00 0.00 +ATOM 1109 HD1 TYR A 69 13.804 21.742 45.260 1.00 0.00 +ATOM 1110 CD2 TYR A 69 16.548 21.409 47.279 1.00 0.00 +ATOM 1111 HD2 TYR A 69 16.997 21.865 48.149 1.00 0.00 +ATOM 1112 CE1 TYR A 69 15.124 20.043 45.247 1.00 0.00 +ATOM 1113 HE1 TYR A 69 14.610 19.475 44.486 1.00 0.00 +ATOM 1114 CE2 TYR A 69 17.103 20.250 46.710 1.00 0.00 +ATOM 1115 HE2 TYR A 69 18.108 19.955 46.972 1.00 0.00 +ATOM 1116 CZ TYR A 69 16.337 19.563 45.787 1.00 0.00 +ATOM 1117 OH TYR A 69 16.692 18.324 45.423 1.00 0.00 +ATOM 1118 HH TYR A 69 17.561 18.090 45.760 1.00 0.00 +ATOM 1119 C TYR A 69 13.921 24.525 49.353 1.00 0.00 +ATOM 1120 O TYR A 69 13.597 25.625 48.923 1.00 0.00 +ATOM 1121 N ILE A 70 14.497 24.375 50.554 1.00 0.00 +ATOM 1122 H ILE A 70 14.833 23.480 50.879 1.00 0.00 +ATOM 1123 CA ILE A 70 14.744 25.541 51.437 1.00 0.00 +ATOM 1124 HA ILE A 70 14.694 26.431 50.810 1.00 0.00 +ATOM 1125 CB ILE A 70 13.803 25.526 52.748 1.00 0.00 +ATOM 1126 HB ILE A 70 14.011 24.621 53.320 1.00 0.00 +ATOM 1127 CG1 ILE A 70 12.326 25.497 52.345 1.00 0.00 +ATOM 1128 HG12 ILE A 70 12.242 24.425 52.165 1.00 0.00 +ATOM 1129 HG13 ILE A 70 12.054 26.113 51.488 1.00 0.00 +ATOM 1130 CG2 ILE A 70 14.121 26.810 53.635 1.00 0.00 +ATOM 1131 HG21 ILE A 70 15.176 26.807 53.908 1.00 0.00 +ATOM 1132 HG22 ILE A 70 13.853 27.694 53.055 1.00 0.00 +ATOM 1133 HG23 ILE A 70 13.617 26.819 54.601 1.00 0.00 +ATOM 1134 CD1 ILE A 70 11.220 25.589 53.477 1.00 0.00 +ATOM 1135 HD11 ILE A 70 11.530 24.980 54.327 1.00 0.00 +ATOM 1136 HD12 ILE A 70 11.262 26.624 53.816 1.00 0.00 +ATOM 1137 HD13 ILE A 70 10.310 25.147 53.071 1.00 0.00 +ATOM 1138 C ILE A 70 16.260 25.617 51.875 1.00 0.00 +ATOM 1139 O ILE A 70 16.763 24.539 52.381 1.00 0.00 +ATOM 1140 N VAL A 71 16.984 26.722 51.542 1.00 0.00 +ATOM 1141 H VAL A 71 16.574 27.607 51.278 1.00 0.00 +ATOM 1142 CA VAL A 71 18.402 26.885 51.847 1.00 0.00 +ATOM 1143 HA VAL A 71 18.884 25.963 52.169 1.00 0.00 +ATOM 1144 CB VAL A 71 19.168 27.335 50.513 1.00 0.00 +ATOM 1145 HB VAL A 71 18.977 28.371 50.231 1.00 0.00 +ATOM 1146 CG1 VAL A 71 20.705 27.302 50.819 1.00 0.00 +ATOM 1147 HG11 VAL A 71 20.983 26.317 51.194 1.00 0.00 +ATOM 1148 HG12 VAL A 71 21.054 28.051 51.529 1.00 0.00 +ATOM 1149 HG13 VAL A 71 21.319 27.599 49.969 1.00 0.00 +ATOM 1150 CG2 VAL A 71 19.020 26.550 49.190 1.00 0.00 +ATOM 1151 HG21 VAL A 71 19.686 26.980 48.442 1.00 0.00 +ATOM 1152 HG22 VAL A 71 17.977 26.426 48.898 1.00 0.00 +ATOM 1153 HG23 VAL A 71 19.400 25.529 49.233 1.00 0.00 +ATOM 1154 C VAL A 71 18.711 27.897 53.025 1.00 0.00 +ATOM 1155 O VAL A 71 18.165 29.035 53.135 1.00 0.00 +ATOM 1156 N THR A 72 19.540 27.479 53.983 1.00 0.00 +ATOM 1157 H THR A 72 20.007 26.593 53.851 1.00 0.00 +ATOM 1158 CA THR A 72 19.837 28.271 55.203 1.00 0.00 +ATOM 1159 HA THR A 72 19.458 29.292 55.160 1.00 0.00 +ATOM 1160 CB THR A 72 19.277 27.639 56.469 1.00 0.00 +ATOM 1161 HB THR A 72 19.808 27.924 57.377 1.00 0.00 +ATOM 1162 OG1 THR A 72 19.531 26.267 56.320 1.00 0.00 +ATOM 1163 HG1 THR A 72 18.988 25.779 56.943 1.00 0.00 +ATOM 1164 CG2 THR A 72 17.773 27.996 56.526 1.00 0.00 +ATOM 1165 HG21 THR A 72 17.259 27.708 55.609 1.00 0.00 +ATOM 1166 HG22 THR A 72 17.622 29.075 56.571 1.00 0.00 +ATOM 1167 HG23 THR A 72 17.266 27.614 57.412 1.00 0.00 +ATOM 1168 C THR A 72 21.396 28.497 55.325 1.00 0.00 +ATOM 1169 O THR A 72 22.139 28.057 54.441 1.00 0.00 +ATOM 1170 N GLU A 73 21.848 29.342 56.285 1.00 0.00 +ATOM 1171 H GLU A 73 21.279 29.817 56.970 1.00 0.00 +ATOM 1172 CA GLU A 73 23.289 29.123 56.766 1.00 0.00 +ATOM 1173 HA GLU A 73 23.963 29.148 55.910 1.00 0.00 +ATOM 1174 CB GLU A 73 23.702 30.281 57.759 1.00 0.00 +ATOM 1175 HB2 GLU A 73 23.753 31.258 57.279 1.00 0.00 +ATOM 1176 HB3 GLU A 73 24.656 30.191 58.279 1.00 0.00 +ATOM 1177 CG GLU A 73 22.704 30.403 58.960 1.00 0.00 +ATOM 1178 HG2 GLU A 73 21.733 30.465 58.469 1.00 0.00 +ATOM 1179 HG3 GLU A 73 22.735 29.499 59.568 1.00 0.00 +ATOM 1180 CD GLU A 73 22.889 31.598 59.870 1.00 0.00 +ATOM 1181 OE1 GLU A 73 24.034 32.051 60.100 1.00 0.00 +ATOM 1182 OE2 GLU A 73 21.926 32.025 60.528 1.00 0.00 +ATOM 1183 C GLU A 73 23.630 27.729 57.256 1.00 0.00 +ATOM 1184 O GLU A 73 22.715 27.045 57.690 1.00 0.00 +ATOM 1185 N TYR A 74 24.897 27.350 57.329 1.00 0.00 +ATOM 1186 H TYR A 74 25.553 27.869 56.764 1.00 0.00 +ATOM 1187 CA TYR A 74 25.400 26.291 58.129 1.00 0.00 +ATOM 1188 HA TYR A 74 24.590 25.569 58.237 1.00 0.00 +ATOM 1189 CB TYR A 74 26.468 25.502 57.383 1.00 0.00 +ATOM 1190 HB2 TYR A 74 27.326 26.173 57.330 1.00 0.00 +ATOM 1191 HB3 TYR A 74 26.257 25.340 56.326 1.00 0.00 +ATOM 1192 CG TYR A 74 26.887 24.196 58.066 1.00 0.00 +ATOM 1193 CD1 TYR A 74 25.928 23.141 58.313 1.00 0.00 +ATOM 1194 HD1 TYR A 74 24.959 23.109 57.835 1.00 0.00 +ATOM 1195 CD2 TYR A 74 28.135 24.103 58.609 1.00 0.00 +ATOM 1196 HD2 TYR A 74 28.878 24.846 58.359 1.00 0.00 +ATOM 1197 CE1 TYR A 74 26.337 21.969 58.974 1.00 0.00 +ATOM 1198 HE1 TYR A 74 25.701 21.116 59.159 1.00 0.00 +ATOM 1199 CE2 TYR A 74 28.571 22.942 59.301 1.00 0.00 +ATOM 1200 HE2 TYR A 74 29.615 22.848 59.562 1.00 0.00 +ATOM 1201 CZ TYR A 74 27.655 21.916 59.565 1.00 0.00 +ATOM 1202 OH TYR A 74 28.118 20.798 60.209 1.00 0.00 +ATOM 1203 HH TYR A 74 28.957 20.901 60.664 1.00 0.00 +ATOM 1204 C TYR A 74 25.669 26.694 59.610 1.00 0.00 +ATOM 1205 O TYR A 74 26.186 27.715 59.950 1.00 0.00 +ATOM 1206 N MET A 75 25.427 25.753 60.515 1.00 0.00 +ATOM 1207 H MET A 75 25.120 24.855 60.170 1.00 0.00 +ATOM 1208 CA MET A 75 25.653 25.801 62.038 1.00 0.00 +ATOM 1209 HA MET A 75 26.161 26.716 62.345 1.00 0.00 +ATOM 1210 CB MET A 75 24.367 25.880 62.763 1.00 0.00 +ATOM 1211 HB2 MET A 75 24.477 25.780 63.843 1.00 0.00 +ATOM 1212 HB3 MET A 75 23.735 25.025 62.520 1.00 0.00 +ATOM 1213 CG MET A 75 23.614 27.242 62.466 1.00 0.00 +ATOM 1214 HG2 MET A 75 23.531 27.384 61.388 1.00 0.00 +ATOM 1215 HG3 MET A 75 22.595 27.261 62.852 1.00 0.00 +ATOM 1216 SD MET A 75 24.537 28.650 63.232 1.00 0.00 +ATOM 1217 CE MET A 75 24.386 28.357 65.015 1.00 0.00 +ATOM 1218 HE1 MET A 75 24.653 27.333 65.279 1.00 0.00 +ATOM 1219 HE2 MET A 75 25.193 28.907 65.499 1.00 0.00 +ATOM 1220 HE3 MET A 75 23.448 28.706 65.448 1.00 0.00 +ATOM 1221 C MET A 75 26.566 24.528 62.430 1.00 0.00 +ATOM 1222 O MET A 75 26.125 23.386 62.185 1.00 0.00 +ATOM 1223 N SER A 76 27.777 24.651 63.052 1.00 0.00 +ATOM 1224 H SER A 76 28.072 25.605 63.204 1.00 0.00 +ATOM 1225 CA SER A 76 28.786 23.697 62.946 1.00 0.00 +ATOM 1226 HA SER A 76 28.843 23.433 61.890 1.00 0.00 +ATOM 1227 CB SER A 76 30.104 24.301 63.449 1.00 0.00 +ATOM 1228 HB2 SER A 76 30.922 23.599 63.609 1.00 0.00 +ATOM 1229 HB3 SER A 76 30.444 25.204 62.941 1.00 0.00 +ATOM 1230 OG SER A 76 29.806 24.715 64.808 1.00 0.00 +ATOM 1231 HG SER A 76 30.587 24.513 65.329 1.00 0.00 +ATOM 1232 C SER A 76 28.581 22.475 63.846 1.00 0.00 +ATOM 1233 O SER A 76 29.341 21.488 63.722 1.00 0.00 +ATOM 1234 N LYS A 77 27.806 22.547 64.937 1.00 0.00 +ATOM 1235 H LYS A 77 27.173 23.333 64.890 1.00 0.00 +ATOM 1236 CA LYS A 77 27.409 21.540 65.901 1.00 0.00 +ATOM 1237 HA LYS A 77 28.167 20.766 66.012 1.00 0.00 +ATOM 1238 CB LYS A 77 27.347 22.114 67.281 1.00 0.00 +ATOM 1239 HB2 LYS A 77 26.512 21.759 67.885 1.00 0.00 +ATOM 1240 HB3 LYS A 77 27.126 23.179 67.212 1.00 0.00 +ATOM 1241 CG LYS A 77 28.535 21.980 68.270 1.00 0.00 +ATOM 1242 HG2 LYS A 77 28.276 22.558 69.157 1.00 0.00 +ATOM 1243 HG3 LYS A 77 28.476 20.978 68.695 1.00 0.00 +ATOM 1244 CD LYS A 77 29.942 22.249 67.711 1.00 0.00 +ATOM 1245 HD2 LYS A 77 29.877 23.173 67.135 1.00 0.00 +ATOM 1246 HD3 LYS A 77 30.180 21.472 66.984 1.00 0.00 +ATOM 1247 CE LYS A 77 31.056 22.201 68.746 1.00 0.00 +ATOM 1248 HE2 LYS A 77 31.041 21.245 69.270 1.00 0.00 +ATOM 1249 HE3 LYS A 77 30.962 23.021 69.459 1.00 0.00 +ATOM 1250 NZ LYS A 77 32.310 22.467 68.021 1.00 0.00 +ATOM 1251 HZ1 LYS A 77 32.383 23.405 67.652 1.00 0.00 +ATOM 1252 HZ2 LYS A 77 33.093 22.133 68.565 1.00 0.00 +ATOM 1253 HZ3 LYS A 77 32.509 21.978 67.161 1.00 0.00 +ATOM 1254 C LYS A 77 26.108 20.794 65.542 1.00 0.00 +ATOM 1255 O LYS A 77 25.705 19.889 66.159 1.00 0.00 +ATOM 1256 N GLY A 78 25.510 21.150 64.427 1.00 0.00 +ATOM 1257 H GLY A 78 26.025 21.756 63.803 1.00 0.00 +ATOM 1258 CA GLY A 78 24.150 20.770 64.024 1.00 0.00 +ATOM 1259 HA2 GLY A 78 24.130 19.693 63.860 1.00 0.00 +ATOM 1260 HA3 GLY A 78 24.041 21.420 63.156 1.00 0.00 +ATOM 1261 C GLY A 78 22.984 21.115 65.012 1.00 0.00 +ATOM 1262 O GLY A 78 22.988 22.166 65.632 1.00 0.00 +ATOM 1263 N SER A 79 21.990 20.227 65.094 1.00 0.00 +ATOM 1264 H SER A 79 22.123 19.312 64.688 1.00 0.00 +ATOM 1265 CA SER A 79 20.807 20.535 65.797 1.00 0.00 +ATOM 1266 HA SER A 79 20.621 21.608 65.740 1.00 0.00 +ATOM 1267 CB SER A 79 19.551 19.824 65.231 1.00 0.00 +ATOM 1268 HB2 SER A 79 19.553 19.789 64.141 1.00 0.00 +ATOM 1269 HB3 SER A 79 18.674 20.291 65.679 1.00 0.00 +ATOM 1270 OG SER A 79 19.513 18.439 65.755 1.00 0.00 +ATOM 1271 HG SER A 79 18.841 17.951 65.275 1.00 0.00 +ATOM 1272 C SER A 79 20.927 20.248 67.277 1.00 0.00 +ATOM 1273 O SER A 79 21.733 19.374 67.753 1.00 0.00 +ATOM 1274 N LEU A 80 20.131 20.917 68.114 1.00 0.00 +ATOM 1275 H LEU A 80 19.592 21.684 67.739 1.00 0.00 +ATOM 1276 CA LEU A 80 20.163 20.755 69.603 1.00 0.00 +ATOM 1277 HA LEU A 80 21.187 21.064 69.810 1.00 0.00 +ATOM 1278 CB LEU A 80 19.229 21.735 70.275 1.00 0.00 +ATOM 1279 HB2 LEU A 80 18.203 21.404 70.109 1.00 0.00 +ATOM 1280 HB3 LEU A 80 19.488 22.738 69.939 1.00 0.00 +ATOM 1281 CG LEU A 80 19.359 21.821 71.795 1.00 0.00 +ATOM 1282 HG LEU A 80 19.148 20.869 72.283 1.00 0.00 +ATOM 1283 CD1 LEU A 80 20.752 22.291 72.221 1.00 0.00 +ATOM 1284 HD11 LEU A 80 20.708 22.611 73.262 1.00 0.00 +ATOM 1285 HD12 LEU A 80 21.454 21.474 72.055 1.00 0.00 +ATOM 1286 HD13 LEU A 80 21.156 23.124 71.645 1.00 0.00 +ATOM 1287 CD2 LEU A 80 18.359 22.744 72.486 1.00 0.00 +ATOM 1288 HD21 LEU A 80 18.426 22.623 73.567 1.00 0.00 +ATOM 1289 HD22 LEU A 80 18.583 23.784 72.247 1.00 0.00 +ATOM 1290 HD23 LEU A 80 17.304 22.636 72.234 1.00 0.00 +ATOM 1291 C LEU A 80 20.002 19.280 69.998 1.00 0.00 +ATOM 1292 O LEU A 80 20.515 18.782 70.961 1.00 0.00 +ATOM 1293 N LEU A 81 19.159 18.583 69.208 1.00 0.00 +ATOM 1294 H LEU A 81 18.712 19.101 68.465 1.00 0.00 +ATOM 1295 CA LEU A 81 18.817 17.153 69.286 1.00 0.00 +ATOM 1296 HA LEU A 81 18.648 16.939 70.341 1.00 0.00 +ATOM 1297 CB LEU A 81 17.501 16.931 68.484 1.00 0.00 +ATOM 1298 HB2 LEU A 81 17.732 16.895 67.420 1.00 0.00 +ATOM 1299 HB3 LEU A 81 16.908 17.840 68.590 1.00 0.00 +ATOM 1300 CG LEU A 81 16.778 15.613 68.693 1.00 0.00 +ATOM 1301 HG LEU A 81 15.798 15.600 68.215 1.00 0.00 +ATOM 1302 CD1 LEU A 81 17.467 14.378 68.095 1.00 0.00 +ATOM 1303 HD11 LEU A 81 16.680 13.683 67.803 1.00 0.00 +ATOM 1304 HD12 LEU A 81 17.949 14.746 67.188 1.00 0.00 +ATOM 1305 HD13 LEU A 81 18.234 13.892 68.698 1.00 0.00 +ATOM 1306 CD2 LEU A 81 16.563 15.275 70.149 1.00 0.00 +ATOM 1307 HD21 LEU A 81 16.133 16.119 70.688 1.00 0.00 +ATOM 1308 HD22 LEU A 81 17.481 14.931 70.625 1.00 0.00 +ATOM 1309 HD23 LEU A 81 15.788 14.519 70.273 1.00 0.00 +ATOM 1310 C LEU A 81 19.996 16.253 68.991 1.00 0.00 +ATOM 1311 O LEU A 81 20.154 15.274 69.715 1.00 0.00 +ATOM 1312 N ASP A 82 20.761 16.622 67.978 1.00 0.00 +ATOM 1313 H ASP A 82 20.451 17.278 67.275 1.00 0.00 +ATOM 1314 CA ASP A 82 21.987 15.940 67.716 1.00 0.00 +ATOM 1315 HA ASP A 82 21.834 14.863 67.655 1.00 0.00 +ATOM 1316 CB ASP A 82 22.483 16.294 66.350 1.00 0.00 +ATOM 1317 HB2 ASP A 82 21.647 16.406 65.660 1.00 0.00 +ATOM 1318 HB3 ASP A 82 22.918 17.294 66.355 1.00 0.00 +ATOM 1319 CG ASP A 82 23.569 15.335 65.805 1.00 0.00 +ATOM 1320 OD1 ASP A 82 23.239 14.417 65.058 1.00 0.00 +ATOM 1321 OD2 ASP A 82 24.792 15.476 66.181 1.00 0.00 +ATOM 1322 C ASP A 82 23.056 16.202 68.754 1.00 0.00 +ATOM 1323 O ASP A 82 23.835 15.368 69.062 1.00 0.00 +ATOM 1324 N PHE A 83 23.214 17.495 69.142 1.00 0.00 +ATOM 1325 H PHE A 83 22.619 18.197 68.724 1.00 0.00 +ATOM 1326 CA PHE A 83 24.371 17.966 69.913 1.00 0.00 +ATOM 1327 HA PHE A 83 25.262 17.618 69.390 1.00 0.00 +ATOM 1328 CB PHE A 83 24.242 19.481 70.005 1.00 0.00 +ATOM 1329 HB2 PHE A 83 24.274 19.938 69.016 1.00 0.00 +ATOM 1330 HB3 PHE A 83 23.269 19.682 70.452 1.00 0.00 +ATOM 1331 CG PHE A 83 25.320 20.173 70.884 1.00 0.00 +ATOM 1332 CD1 PHE A 83 26.687 19.902 70.652 1.00 0.00 +ATOM 1333 HD1 PHE A 83 26.966 19.247 69.840 1.00 0.00 +ATOM 1334 CD2 PHE A 83 24.935 20.975 72.013 1.00 0.00 +ATOM 1335 HD2 PHE A 83 23.900 21.238 72.169 1.00 0.00 +ATOM 1336 CE1 PHE A 83 27.668 20.601 71.406 1.00 0.00 +ATOM 1337 HE1 PHE A 83 28.706 20.440 71.156 1.00 0.00 +ATOM 1338 CE2 PHE A 83 25.895 21.650 72.787 1.00 0.00 +ATOM 1339 HE2 PHE A 83 25.619 22.257 73.637 1.00 0.00 +ATOM 1340 CZ PHE A 83 27.228 21.412 72.515 1.00 0.00 +ATOM 1341 HZ PHE A 83 27.903 21.876 73.219 1.00 0.00 +ATOM 1342 C PHE A 83 24.373 17.366 71.362 1.00 0.00 +ATOM 1343 O PHE A 83 25.443 17.148 71.913 1.00 0.00 +ATOM 1344 N LEU A 84 23.248 17.075 71.975 1.00 0.00 +ATOM 1345 H LEU A 84 22.391 17.129 71.443 1.00 0.00 +ATOM 1346 CA LEU A 84 23.127 16.593 73.326 1.00 0.00 +ATOM 1347 HA LEU A 84 23.964 16.867 73.969 1.00 0.00 +ATOM 1348 CB LEU A 84 21.734 17.059 73.947 1.00 0.00 +ATOM 1349 HB2 LEU A 84 21.361 16.316 74.652 1.00 0.00 +ATOM 1350 HB3 LEU A 84 20.931 17.047 73.210 1.00 0.00 +ATOM 1351 CG LEU A 84 21.731 18.470 74.641 1.00 0.00 +ATOM 1352 HG LEU A 84 20.711 18.847 74.571 1.00 0.00 +ATOM 1353 CD1 LEU A 84 21.961 18.300 76.157 1.00 0.00 +ATOM 1354 HD11 LEU A 84 23.033 18.176 76.308 1.00 0.00 +ATOM 1355 HD12 LEU A 84 21.437 17.494 76.670 1.00 0.00 +ATOM 1356 HD13 LEU A 84 21.756 19.215 76.713 1.00 0.00 +ATOM 1357 CD2 LEU A 84 22.680 19.453 74.095 1.00 0.00 +ATOM 1358 HD21 LEU A 84 23.711 19.100 74.121 1.00 0.00 +ATOM 1359 HD22 LEU A 84 22.333 19.670 73.085 1.00 0.00 +ATOM 1360 HD23 LEU A 84 22.585 20.424 74.581 1.00 0.00 +ATOM 1361 C LEU A 84 23.301 15.081 73.363 1.00 0.00 +ATOM 1362 O LEU A 84 23.052 14.642 74.460 1.00 0.00 +ATOM 1363 N LYS A 85 23.788 14.387 72.317 1.00 0.00 +ATOM 1364 H LYS A 85 23.936 14.768 71.394 1.00 0.00 +ATOM 1365 CA LYS A 85 24.070 12.939 72.445 1.00 0.00 +ATOM 1366 HA LYS A 85 23.322 12.414 73.040 1.00 0.00 +ATOM 1367 CB LYS A 85 23.991 12.303 70.956 1.00 0.00 +ATOM 1368 HB2 LYS A 85 23.690 11.271 71.135 1.00 0.00 +ATOM 1369 HB3 LYS A 85 23.153 12.809 70.477 1.00 0.00 +ATOM 1370 CG LYS A 85 25.261 12.341 70.094 1.00 0.00 +ATOM 1371 HG2 LYS A 85 25.609 13.374 70.092 1.00 0.00 +ATOM 1372 HG3 LYS A 85 26.028 11.728 70.567 1.00 0.00 +ATOM 1373 CD LYS A 85 24.928 11.989 68.640 1.00 0.00 +ATOM 1374 HD2 LYS A 85 24.143 12.593 68.183 1.00 0.00 +ATOM 1375 HD3 LYS A 85 24.526 10.978 68.579 1.00 0.00 +ATOM 1376 CE LYS A 85 26.195 12.051 67.796 1.00 0.00 +ATOM 1377 HE2 LYS A 85 26.936 11.491 68.366 1.00 0.00 +ATOM 1378 HE3 LYS A 85 25.992 11.634 66.810 1.00 0.00 +ATOM 1379 NZ LYS A 85 26.656 13.507 67.636 1.00 0.00 +ATOM 1380 HZ1 LYS A 85 27.089 13.888 68.465 1.00 0.00 +ATOM 1381 HZ2 LYS A 85 27.314 13.674 66.889 1.00 0.00 +ATOM 1382 HZ3 LYS A 85 25.928 14.142 67.341 1.00 0.00 +ATOM 1383 C LYS A 85 25.390 12.661 73.180 1.00 0.00 +ATOM 1384 O LYS A 85 26.291 13.460 73.248 1.00 0.00 +ATOM 1385 N GLY A 86 25.568 11.451 73.710 1.00 0.00 +ATOM 1386 H GLY A 86 24.724 10.897 73.680 1.00 0.00 +ATOM 1387 CA GLY A 86 26.809 10.746 74.080 1.00 0.00 +ATOM 1388 HA2 GLY A 86 26.714 9.727 74.454 1.00 0.00 +ATOM 1389 HA3 GLY A 86 27.396 10.634 73.169 1.00 0.00 +ATOM 1390 C GLY A 86 27.761 11.585 75.004 1.00 0.00 +ATOM 1391 O GLY A 86 27.275 12.027 75.981 1.00 0.00 +ATOM 1392 N GLU A 87 29.067 11.658 74.694 1.00 0.00 +ATOM 1393 H GLU A 87 29.380 11.326 73.793 1.00 0.00 +ATOM 1394 CA GLU A 87 30.129 12.247 75.526 1.00 0.00 +ATOM 1395 HA GLU A 87 30.115 11.716 76.478 1.00 0.00 +ATOM 1396 CB GLU A 87 31.512 12.135 74.809 1.00 0.00 +ATOM 1397 HB2 GLU A 87 32.345 12.623 75.315 1.00 0.00 +ATOM 1398 HB3 GLU A 87 31.469 12.612 73.829 1.00 0.00 +ATOM 1399 CG GLU A 87 32.064 10.769 74.395 1.00 0.00 +ATOM 1400 HG2 GLU A 87 32.959 10.988 73.812 1.00 0.00 +ATOM 1401 HG3 GLU A 87 31.415 10.113 73.815 1.00 0.00 +ATOM 1402 CD GLU A 87 32.526 9.871 75.595 1.00 0.00 +ATOM 1403 OE1 GLU A 87 33.167 8.783 75.452 1.00 0.00 +ATOM 1404 OE2 GLU A 87 32.297 10.271 76.758 1.00 0.00 +ATOM 1405 C GLU A 87 29.890 13.771 75.867 1.00 0.00 +ATOM 1406 O GLU A 87 30.435 14.305 76.822 1.00 0.00 +ATOM 1407 N THR A 88 29.052 14.477 75.111 1.00 0.00 +ATOM 1408 H THR A 88 28.560 14.044 74.343 1.00 0.00 +ATOM 1409 CA THR A 88 28.808 15.898 75.246 1.00 0.00 +ATOM 1410 HA THR A 88 29.764 16.400 75.099 1.00 0.00 +ATOM 1411 CB THR A 88 27.986 16.583 74.173 1.00 0.00 +ATOM 1412 HB THR A 88 26.945 16.270 74.260 1.00 0.00 +ATOM 1413 OG1 THR A 88 28.353 16.263 72.843 1.00 0.00 +ATOM 1414 HG1 THR A 88 27.731 16.748 72.297 1.00 0.00 +ATOM 1415 CG2 THR A 88 28.206 18.065 74.347 1.00 0.00 +ATOM 1416 HG21 THR A 88 27.641 18.630 73.606 1.00 0.00 +ATOM 1417 HG22 THR A 88 29.255 18.362 74.341 1.00 0.00 +ATOM 1418 HG23 THR A 88 27.792 18.375 75.306 1.00 0.00 +ATOM 1419 C THR A 88 28.319 16.181 76.657 1.00 0.00 +ATOM 1420 O THR A 88 28.828 17.036 77.394 1.00 0.00 +ATOM 1421 N GLY A 89 27.377 15.398 77.200 1.00 0.00 +ATOM 1422 H GLY A 89 27.141 14.574 76.666 1.00 0.00 +ATOM 1423 CA GLY A 89 26.786 15.519 78.547 1.00 0.00 +ATOM 1424 HA2 GLY A 89 26.168 16.416 78.508 1.00 0.00 +ATOM 1425 HA3 GLY A 89 26.088 14.697 78.703 1.00 0.00 +ATOM 1426 C GLY A 89 27.771 15.561 79.711 1.00 0.00 +ATOM 1427 O GLY A 89 27.451 16.117 80.751 1.00 0.00 +ATOM 1428 N LYS A 90 28.992 15.028 79.488 1.00 0.00 +ATOM 1429 H LYS A 90 29.105 14.723 78.532 1.00 0.00 +ATOM 1430 CA LYS A 90 30.114 15.132 80.406 1.00 0.00 +ATOM 1431 HA LYS A 90 29.715 15.205 81.417 1.00 0.00 +ATOM 1432 CB LYS A 90 30.943 13.880 80.447 1.00 0.00 +ATOM 1433 HB2 LYS A 90 31.717 14.057 81.194 1.00 0.00 +ATOM 1434 HB3 LYS A 90 31.278 13.543 79.466 1.00 0.00 +ATOM 1435 CG LYS A 90 30.005 12.695 80.964 1.00 0.00 +ATOM 1436 HG2 LYS A 90 29.701 13.036 81.953 1.00 0.00 +ATOM 1437 HG3 LYS A 90 29.109 12.602 80.351 1.00 0.00 +ATOM 1438 CD LYS A 90 30.861 11.410 81.075 1.00 0.00 +ATOM 1439 HD2 LYS A 90 30.208 10.604 81.411 1.00 0.00 +ATOM 1440 HD3 LYS A 90 31.275 11.121 80.109 1.00 0.00 +ATOM 1441 CE LYS A 90 32.022 11.510 82.032 1.00 0.00 +ATOM 1442 HE2 LYS A 90 32.794 12.165 81.629 1.00 0.00 +ATOM 1443 HE3 LYS A 90 31.666 12.053 82.909 1.00 0.00 +ATOM 1444 NZ LYS A 90 32.628 10.198 82.462 1.00 0.00 +ATOM 1445 HZ1 LYS A 90 33.537 10.183 82.023 1.00 0.00 +ATOM 1446 HZ2 LYS A 90 32.882 10.121 83.436 1.00 0.00 +ATOM 1447 HZ3 LYS A 90 32.133 9.357 82.200 1.00 0.00 +ATOM 1448 C LYS A 90 31.033 16.341 80.262 1.00 0.00 +ATOM 1449 O LYS A 90 31.612 16.828 81.207 1.00 0.00 +ATOM 1450 N TYR A 91 31.102 16.983 79.113 1.00 0.00 +ATOM 1451 H TYR A 91 30.635 16.575 78.316 1.00 0.00 +ATOM 1452 CA TYR A 91 31.568 18.376 78.975 1.00 0.00 +ATOM 1453 HA TYR A 91 32.520 18.515 79.488 1.00 0.00 +ATOM 1454 CB TYR A 91 31.825 18.663 77.476 1.00 0.00 +ATOM 1455 HB2 TYR A 91 31.100 18.212 76.798 1.00 0.00 +ATOM 1456 HB3 TYR A 91 32.701 18.140 77.093 1.00 0.00 +ATOM 1457 CG TYR A 91 32.083 20.149 77.111 1.00 0.00 +ATOM 1458 CD1 TYR A 91 31.542 20.618 75.933 1.00 0.00 +ATOM 1459 HD1 TYR A 91 30.919 19.994 75.309 1.00 0.00 +ATOM 1460 CD2 TYR A 91 32.994 21.005 77.841 1.00 0.00 +ATOM 1461 HD2 TYR A 91 33.401 20.646 78.775 1.00 0.00 +ATOM 1462 CE1 TYR A 91 31.706 21.933 75.456 1.00 0.00 +ATOM 1463 HE1 TYR A 91 31.263 22.250 74.524 1.00 0.00 +ATOM 1464 CE2 TYR A 91 33.193 22.347 77.389 1.00 0.00 +ATOM 1465 HE2 TYR A 91 33.822 23.018 77.953 1.00 0.00 +ATOM 1466 CZ TYR A 91 32.529 22.766 76.236 1.00 0.00 +ATOM 1467 OH TYR A 91 32.778 24.060 75.839 1.00 0.00 +ATOM 1468 HH TYR A 91 32.529 24.272 74.936 1.00 0.00 +ATOM 1469 C TYR A 91 30.518 19.397 79.539 1.00 0.00 +ATOM 1470 O TYR A 91 30.942 20.187 80.381 1.00 0.00 +ATOM 1471 N LEU A 92 29.214 19.404 79.190 1.00 0.00 +ATOM 1472 H LEU A 92 28.912 18.708 78.523 1.00 0.00 +ATOM 1473 CA LEU A 92 28.309 20.563 79.531 1.00 0.00 +ATOM 1474 HA LEU A 92 28.712 21.510 79.172 1.00 0.00 +ATOM 1475 CB LEU A 92 26.932 20.302 78.794 1.00 0.00 +ATOM 1476 HB2 LEU A 92 26.722 19.234 78.858 1.00 0.00 +ATOM 1477 HB3 LEU A 92 26.151 20.989 79.117 1.00 0.00 +ATOM 1478 CG LEU A 92 27.119 20.538 77.239 1.00 0.00 +ATOM 1479 HG LEU A 92 27.838 19.836 76.816 1.00 0.00 +ATOM 1480 CD1 LEU A 92 25.752 20.223 76.573 1.00 0.00 +ATOM 1481 HD11 LEU A 92 25.767 20.084 75.492 1.00 0.00 +ATOM 1482 HD12 LEU A 92 25.065 20.991 76.928 1.00 0.00 +ATOM 1483 HD13 LEU A 92 25.371 19.274 76.951 1.00 0.00 +ATOM 1484 CD2 LEU A 92 27.487 21.940 76.756 1.00 0.00 +ATOM 1485 HD21 LEU A 92 28.494 22.319 76.930 1.00 0.00 +ATOM 1486 HD22 LEU A 92 27.363 21.917 75.673 1.00 0.00 +ATOM 1487 HD23 LEU A 92 26.751 22.632 77.165 1.00 0.00 +ATOM 1488 C LEU A 92 27.997 20.536 81.009 1.00 0.00 +ATOM 1489 O LEU A 92 28.210 19.590 81.743 1.00 0.00 +ATOM 1490 N ARG A 93 27.672 21.805 81.466 1.00 0.00 +ATOM 1491 H ARG A 93 27.769 22.558 80.799 1.00 0.00 +ATOM 1492 CA ARG A 93 27.340 22.179 82.895 1.00 0.00 +ATOM 1493 HA ARG A 93 27.140 21.254 83.436 1.00 0.00 +ATOM 1494 CB ARG A 93 28.522 22.897 83.734 1.00 0.00 +ATOM 1495 HB2 ARG A 93 28.804 23.841 83.266 1.00 0.00 +ATOM 1496 HB3 ARG A 93 28.225 23.149 84.752 1.00 0.00 +ATOM 1497 CG ARG A 93 29.727 21.900 83.806 1.00 0.00 +ATOM 1498 HG2 ARG A 93 30.561 22.431 84.265 1.00 0.00 +ATOM 1499 HG3 ARG A 93 30.097 21.621 82.819 1.00 0.00 +ATOM 1500 CD ARG A 93 29.591 20.678 84.695 1.00 0.00 +ATOM 1501 HD2 ARG A 93 29.125 21.019 85.620 1.00 0.00 +ATOM 1502 HD3 ARG A 93 28.906 19.990 84.199 1.00 0.00 +ATOM 1503 NE ARG A 93 30.862 20.003 84.959 1.00 0.00 +ATOM 1504 HE ARG A 93 31.094 20.058 85.941 1.00 0.00 +ATOM 1505 CZ ARG A 93 31.619 19.230 84.141 1.00 0.00 +ATOM 1506 NH1 ARG A 93 31.149 18.939 82.964 1.00 0.00 +ATOM 1507 HH11 ARG A 93 31.594 18.299 82.322 1.00 0.00 +ATOM 1508 HH12 ARG A 93 30.233 19.260 82.685 1.00 0.00 +ATOM 1509 NH2 ARG A 93 32.844 18.804 84.500 1.00 0.00 +ATOM 1510 HH21 ARG A 93 33.261 19.051 85.386 1.00 0.00 +ATOM 1511 HH22 ARG A 93 33.360 18.358 83.754 1.00 0.00 +ATOM 1512 C ARG A 93 26.126 22.979 82.988 1.00 0.00 +ATOM 1513 O ARG A 93 25.713 23.600 82.025 1.00 0.00 +ATOM 1514 N LEU A 94 25.504 23.049 84.179 1.00 0.00 +ATOM 1515 H LEU A 94 25.826 22.388 84.871 1.00 0.00 +ATOM 1516 CA LEU A 94 24.209 23.690 84.287 1.00 0.00 +ATOM 1517 HA LEU A 94 23.538 23.095 83.668 1.00 0.00 +ATOM 1518 CB LEU A 94 23.797 23.535 85.765 1.00 0.00 +ATOM 1519 HB2 LEU A 94 24.435 24.120 86.427 1.00 0.00 +ATOM 1520 HB3 LEU A 94 23.944 22.493 86.048 1.00 0.00 +ATOM 1521 CG LEU A 94 22.348 23.791 86.243 1.00 0.00 +ATOM 1522 HG LEU A 94 22.250 23.708 87.326 1.00 0.00 +ATOM 1523 CD1 LEU A 94 21.671 25.073 85.762 1.00 0.00 +ATOM 1524 HD11 LEU A 94 21.484 24.979 84.692 1.00 0.00 +ATOM 1525 HD12 LEU A 94 22.193 26.020 85.900 1.00 0.00 +ATOM 1526 HD13 LEU A 94 20.660 25.234 86.136 1.00 0.00 +ATOM 1527 CD2 LEU A 94 21.422 22.728 85.756 1.00 0.00 +ATOM 1528 HD21 LEU A 94 21.910 21.768 85.922 1.00 0.00 +ATOM 1529 HD22 LEU A 94 21.327 22.802 84.672 1.00 0.00 +ATOM 1530 HD23 LEU A 94 20.400 22.759 86.135 1.00 0.00 +ATOM 1531 C LEU A 94 24.177 25.126 83.729 1.00 0.00 +ATOM 1532 O LEU A 94 23.320 25.340 82.860 1.00 0.00 +ATOM 1533 N PRO A 95 25.102 26.046 84.020 1.00 0.00 +ATOM 1534 CA PRO A 95 25.093 27.413 83.424 1.00 0.00 +ATOM 1535 HA PRO A 95 24.128 27.883 83.615 1.00 0.00 +ATOM 1536 CD PRO A 95 26.089 25.948 85.065 1.00 0.00 +ATOM 1537 HD2 PRO A 95 25.771 25.364 85.929 1.00 0.00 +ATOM 1538 HD3 PRO A 95 26.952 25.523 84.554 1.00 0.00 +ATOM 1539 CB PRO A 95 26.167 28.216 84.188 1.00 0.00 +ATOM 1540 HB2 PRO A 95 25.929 29.252 84.430 1.00 0.00 +ATOM 1541 HB3 PRO A 95 27.062 28.327 83.575 1.00 0.00 +ATOM 1542 CG PRO A 95 26.320 27.394 85.507 1.00 0.00 +ATOM 1543 HG2 PRO A 95 25.514 27.694 86.177 1.00 0.00 +ATOM 1544 HG3 PRO A 95 27.238 27.665 86.029 1.00 0.00 +ATOM 1545 C PRO A 95 25.237 27.408 81.873 1.00 0.00 +ATOM 1546 O PRO A 95 24.690 28.288 81.261 1.00 0.00 +ATOM 1547 N GLN A 96 25.949 26.376 81.319 1.00 0.00 +ATOM 1548 H GLN A 96 26.123 25.601 81.943 1.00 0.00 +ATOM 1549 CA GLN A 96 25.916 26.141 79.890 1.00 0.00 +ATOM 1550 HA GLN A 96 26.262 27.045 79.389 1.00 0.00 +ATOM 1551 CB GLN A 96 26.995 25.106 79.571 1.00 0.00 +ATOM 1552 HB2 GLN A 96 27.191 25.171 78.501 1.00 0.00 +ATOM 1553 HB3 GLN A 96 26.645 24.078 79.666 1.00 0.00 +ATOM 1554 CG GLN A 96 28.297 25.304 80.287 1.00 0.00 +ATOM 1555 HG2 GLN A 96 28.609 26.345 80.368 1.00 0.00 +ATOM 1556 HG3 GLN A 96 28.242 24.867 81.284 1.00 0.00 +ATOM 1557 CD GLN A 96 29.467 24.619 79.677 1.00 0.00 +ATOM 1558 OE1 GLN A 96 29.764 23.463 79.961 1.00 0.00 +ATOM 1559 NE2 GLN A 96 30.261 25.370 78.946 1.00 0.00 +ATOM 1560 HE21 GLN A 96 31.101 24.927 78.602 1.00 0.00 +ATOM 1561 HE22 GLN A 96 29.937 26.307 78.757 1.00 0.00 +ATOM 1562 C GLN A 96 24.576 25.703 79.320 1.00 0.00 +ATOM 1563 O GLN A 96 24.224 26.115 78.234 1.00 0.00 +ATOM 1564 N LEU A 97 23.729 24.986 80.073 1.00 0.00 +ATOM 1565 H LEU A 97 23.932 25.026 81.061 1.00 0.00 +ATOM 1566 CA LEU A 97 22.372 24.613 79.661 1.00 0.00 +ATOM 1567 HA LEU A 97 22.274 24.317 78.617 1.00 0.00 +ATOM 1568 CB LEU A 97 21.884 23.335 80.422 1.00 0.00 +ATOM 1569 HB2 LEU A 97 21.821 23.630 81.470 1.00 0.00 +ATOM 1570 HB3 LEU A 97 20.851 23.195 80.105 1.00 0.00 +ATOM 1571 CG LEU A 97 22.653 22.042 80.262 1.00 0.00 +ATOM 1572 HG LEU A 97 23.639 22.254 80.674 1.00 0.00 +ATOM 1573 CD1 LEU A 97 22.029 20.865 81.012 1.00 0.00 +ATOM 1574 HD11 LEU A 97 22.802 20.288 81.520 1.00 0.00 +ATOM 1575 HD12 LEU A 97 21.379 21.241 81.802 1.00 0.00 +ATOM 1576 HD13 LEU A 97 21.478 20.224 80.325 1.00 0.00 +ATOM 1577 CD2 LEU A 97 22.835 21.652 78.816 1.00 0.00 +ATOM 1578 HD21 LEU A 97 23.540 22.431 78.524 1.00 0.00 +ATOM 1579 HD22 LEU A 97 21.826 21.626 78.404 1.00 0.00 +ATOM 1580 HD23 LEU A 97 23.302 20.676 78.682 1.00 0.00 +ATOM 1581 C LEU A 97 21.422 25.829 79.815 1.00 0.00 +ATOM 1582 O LEU A 97 20.541 26.100 78.892 1.00 0.00 +ATOM 1583 N VAL A 98 21.483 26.621 80.886 1.00 0.00 +ATOM 1584 H VAL A 98 22.177 26.340 81.565 1.00 0.00 +ATOM 1585 CA VAL A 98 20.619 27.851 81.158 1.00 0.00 +ATOM 1586 HA VAL A 98 19.561 27.657 80.983 1.00 0.00 +ATOM 1587 CB VAL A 98 20.699 28.087 82.689 1.00 0.00 +ATOM 1588 HB VAL A 98 21.695 27.813 83.037 1.00 0.00 +ATOM 1589 CG1 VAL A 98 20.440 29.529 83.064 1.00 0.00 +ATOM 1590 HG11 VAL A 98 20.301 29.626 84.141 1.00 0.00 +ATOM 1591 HG12 VAL A 98 21.310 30.162 82.890 1.00 0.00 +ATOM 1592 HG13 VAL A 98 19.509 29.869 82.610 1.00 0.00 +ATOM 1593 CG2 VAL A 98 19.576 27.204 83.392 1.00 0.00 +ATOM 1594 HG21 VAL A 98 19.642 26.204 82.963 1.00 0.00 +ATOM 1595 HG22 VAL A 98 19.697 27.070 84.466 1.00 0.00 +ATOM 1596 HG23 VAL A 98 18.603 27.626 83.140 1.00 0.00 +ATOM 1597 C VAL A 98 21.033 28.947 80.140 1.00 0.00 +ATOM 1598 O VAL A 98 20.116 29.527 79.562 1.00 0.00 +ATOM 1599 N ASP A 99 22.353 29.161 79.821 1.00 0.00 +ATOM 1600 H ASP A 99 23.089 28.620 80.252 1.00 0.00 +ATOM 1601 CA ASP A 99 22.780 30.045 78.758 1.00 0.00 +ATOM 1602 HA ASP A 99 22.373 31.042 78.926 1.00 0.00 +ATOM 1603 CB ASP A 99 24.298 30.179 78.565 1.00 0.00 +ATOM 1604 HB2 ASP A 99 24.815 30.127 79.523 1.00 0.00 +ATOM 1605 HB3 ASP A 99 24.645 29.335 77.969 1.00 0.00 +ATOM 1606 CG ASP A 99 24.576 31.535 77.914 1.00 0.00 +ATOM 1607 OD1 ASP A 99 24.823 31.654 76.701 1.00 0.00 +ATOM 1608 OD2 ASP A 99 24.470 32.532 78.682 1.00 0.00 +ATOM 1609 C ASP A 99 22.052 29.744 77.451 1.00 0.00 +ATOM 1610 O ASP A 99 21.455 30.628 76.799 1.00 0.00 +ATOM 1611 N MET A 100 21.962 28.527 76.960 1.00 0.00 +ATOM 1612 H MET A 100 22.501 27.781 77.377 1.00 0.00 +ATOM 1613 CA MET A 100 21.237 28.144 75.756 1.00 0.00 +ATOM 1614 HA MET A 100 21.734 28.781 75.025 1.00 0.00 +ATOM 1615 CB MET A 100 21.591 26.728 75.229 1.00 0.00 +ATOM 1616 HB2 MET A 100 21.304 25.987 75.975 1.00 0.00 +ATOM 1617 HB3 MET A 100 20.970 26.572 74.347 1.00 0.00 +ATOM 1618 CG MET A 100 23.074 26.527 74.691 1.00 0.00 +ATOM 1619 HG2 MET A 100 23.703 26.682 75.568 1.00 0.00 +ATOM 1620 HG3 MET A 100 23.381 27.322 74.011 1.00 0.00 +ATOM 1621 SD MET A 100 23.551 25.043 73.894 1.00 0.00 +ATOM 1622 CE MET A 100 23.080 23.881 75.104 1.00 0.00 +ATOM 1623 HE1 MET A 100 22.006 23.782 74.947 1.00 0.00 +ATOM 1624 HE2 MET A 100 23.260 24.154 76.144 1.00 0.00 +ATOM 1625 HE3 MET A 100 23.493 22.879 74.998 1.00 0.00 +ATOM 1626 C MET A 100 19.707 28.514 75.884 1.00 0.00 +ATOM 1627 O MET A 100 19.070 29.043 74.971 1.00 0.00 +ATOM 1628 N ALA A 101 19.072 28.143 76.993 1.00 0.00 +ATOM 1629 H ALA A 101 19.665 27.813 77.740 1.00 0.00 +ATOM 1630 CA ALA A 101 17.623 28.523 77.304 1.00 0.00 +ATOM 1631 HA ALA A 101 16.989 28.030 76.567 1.00 0.00 +ATOM 1632 CB ALA A 101 17.199 27.953 78.684 1.00 0.00 +ATOM 1633 HB1 ALA A 101 16.114 28.062 78.695 1.00 0.00 +ATOM 1634 HB2 ALA A 101 17.600 26.944 78.782 1.00 0.00 +ATOM 1635 HB3 ALA A 101 17.578 28.513 79.538 1.00 0.00 +ATOM 1636 C ALA A 101 17.390 30.032 77.160 1.00 0.00 +ATOM 1637 O ALA A 101 16.307 30.354 76.802 1.00 0.00 +ATOM 1638 N ALA A 102 18.357 30.863 77.581 1.00 0.00 +ATOM 1639 H ALA A 102 19.142 30.409 78.024 1.00 0.00 +ATOM 1640 CA ALA A 102 18.230 32.293 77.608 1.00 0.00 +ATOM 1641 HA ALA A 102 17.169 32.492 77.759 1.00 0.00 +ATOM 1642 CB ALA A 102 19.163 32.774 78.767 1.00 0.00 +ATOM 1643 HB1 ALA A 102 20.216 32.574 78.570 1.00 0.00 +ATOM 1644 HB2 ALA A 102 19.070 33.860 78.759 1.00 0.00 +ATOM 1645 HB3 ALA A 102 18.918 32.354 79.742 1.00 0.00 +ATOM 1646 C ALA A 102 18.665 32.824 76.206 1.00 0.00 +ATOM 1647 O ALA A 102 18.138 33.858 75.809 1.00 0.00 +ATOM 1648 N GLN A 103 19.487 32.155 75.456 1.00 0.00 +ATOM 1649 H GLN A 103 20.080 31.434 75.841 1.00 0.00 +ATOM 1650 CA GLN A 103 19.608 32.420 74.006 1.00 0.00 +ATOM 1651 HA GLN A 103 19.791 33.495 74.007 1.00 0.00 +ATOM 1652 CB GLN A 103 20.762 31.730 73.231 1.00 0.00 +ATOM 1653 HB2 GLN A 103 20.740 32.063 72.193 1.00 0.00 +ATOM 1654 HB3 GLN A 103 20.670 30.648 73.331 1.00 0.00 +ATOM 1655 CG GLN A 103 22.106 32.197 73.847 1.00 0.00 +ATOM 1656 HG2 GLN A 103 22.117 31.976 74.914 1.00 0.00 +ATOM 1657 HG3 GLN A 103 22.266 33.276 73.847 1.00 0.00 +ATOM 1658 CD GLN A 103 23.195 31.472 73.156 1.00 0.00 +ATOM 1659 OE1 GLN A 103 23.103 31.091 72.024 1.00 0.00 +ATOM 1660 NE2 GLN A 103 24.286 31.208 73.812 1.00 0.00 +ATOM 1661 HE21 GLN A 103 24.292 31.522 74.772 1.00 0.00 +ATOM 1662 HE22 GLN A 103 24.918 30.516 73.437 1.00 0.00 +ATOM 1663 C GLN A 103 18.266 32.174 73.265 1.00 0.00 +ATOM 1664 O GLN A 103 17.791 33.109 72.579 1.00 0.00 +ATOM 1665 N ILE A 104 17.630 30.972 73.461 1.00 0.00 +ATOM 1666 H ILE A 104 18.041 30.273 74.064 1.00 0.00 +ATOM 1667 CA ILE A 104 16.267 30.660 72.928 1.00 0.00 +ATOM 1668 HA ILE A 104 16.248 30.959 71.880 1.00 0.00 +ATOM 1669 CB ILE A 104 16.009 29.123 73.121 1.00 0.00 +ATOM 1670 HB ILE A 104 16.027 28.778 74.155 1.00 0.00 +ATOM 1671 CG1 ILE A 104 17.056 28.329 72.376 1.00 0.00 +ATOM 1672 HG12 ILE A 104 18.069 28.682 72.571 1.00 0.00 +ATOM 1673 HG13 ILE A 104 16.952 28.324 71.291 1.00 0.00 +ATOM 1674 CG2 ILE A 104 14.673 28.726 72.492 1.00 0.00 +ATOM 1675 HG21 ILE A 104 13.841 29.325 72.862 1.00 0.00 +ATOM 1676 HG22 ILE A 104 14.504 27.679 72.746 1.00 0.00 +ATOM 1677 HG23 ILE A 104 14.725 28.737 71.403 1.00 0.00 +ATOM 1678 CD1 ILE A 104 17.263 26.850 72.773 1.00 0.00 +ATOM 1679 HD11 ILE A 104 18.197 26.381 72.465 1.00 0.00 +ATOM 1680 HD12 ILE A 104 16.413 26.256 72.435 1.00 0.00 +ATOM 1681 HD13 ILE A 104 17.273 26.723 73.855 1.00 0.00 +ATOM 1682 C ILE A 104 15.153 31.510 73.465 1.00 0.00 +ATOM 1683 O ILE A 104 14.343 31.967 72.669 1.00 0.00 +ATOM 1684 N ALA A 105 15.088 31.879 74.792 1.00 0.00 +ATOM 1685 H ALA A 105 15.663 31.421 75.485 1.00 0.00 +ATOM 1686 CA ALA A 105 14.137 32.833 75.250 1.00 0.00 +ATOM 1687 HA ALA A 105 13.173 32.509 74.856 1.00 0.00 +ATOM 1688 CB ALA A 105 14.036 32.885 76.825 1.00 0.00 +ATOM 1689 HB1 ALA A 105 13.863 31.893 77.242 1.00 0.00 +ATOM 1690 HB2 ALA A 105 14.961 33.244 77.275 1.00 0.00 +ATOM 1691 HB3 ALA A 105 13.095 33.352 77.119 1.00 0.00 +ATOM 1692 C ALA A 105 14.271 34.230 74.701 1.00 0.00 +ATOM 1693 O ALA A 105 13.328 34.820 74.313 1.00 0.00 +ATOM 1694 N SER A 106 15.490 34.734 74.462 1.00 0.00 +ATOM 1695 H SER A 106 16.308 34.263 74.821 1.00 0.00 +ATOM 1696 CA SER A 106 15.709 36.008 73.775 1.00 0.00 +ATOM 1697 HA SER A 106 15.067 36.793 74.174 1.00 0.00 +ATOM 1698 CB SER A 106 17.172 36.411 73.910 1.00 0.00 +ATOM 1699 HB2 SER A 106 17.532 36.460 74.937 1.00 0.00 +ATOM 1700 HB3 SER A 106 17.837 35.692 73.431 1.00 0.00 +ATOM 1701 OG SER A 106 17.353 37.704 73.325 1.00 0.00 +ATOM 1702 HG SER A 106 17.653 38.435 73.871 1.00 0.00 +ATOM 1703 C SER A 106 15.226 35.911 72.303 1.00 0.00 +ATOM 1704 O SER A 106 14.686 36.915 71.790 1.00 0.00 +ATOM 1705 N GLY A 107 15.307 34.706 71.648 1.00 0.00 +ATOM 1706 H GLY A 107 15.893 33.992 72.057 1.00 0.00 +ATOM 1707 CA GLY A 107 14.650 34.341 70.388 1.00 0.00 +ATOM 1708 HA2 GLY A 107 15.084 34.889 69.552 1.00 0.00 +ATOM 1709 HA3 GLY A 107 14.746 33.269 70.218 1.00 0.00 +ATOM 1710 C GLY A 107 13.215 34.555 70.476 1.00 0.00 +ATOM 1711 O GLY A 107 12.632 35.414 69.829 1.00 0.00 +ATOM 1712 N MET A 108 12.535 33.913 71.415 1.00 0.00 +ATOM 1713 H MET A 108 13.018 33.382 72.126 1.00 0.00 +ATOM 1714 CA MET A 108 11.042 34.113 71.543 1.00 0.00 +ATOM 1715 HA MET A 108 10.624 34.091 70.536 1.00 0.00 +ATOM 1716 CB MET A 108 10.528 32.843 72.259 1.00 0.00 +ATOM 1717 HB2 MET A 108 9.451 32.893 72.417 1.00 0.00 +ATOM 1718 HB3 MET A 108 10.973 32.818 73.254 1.00 0.00 +ATOM 1719 CG MET A 108 10.739 31.527 71.547 1.00 0.00 +ATOM 1720 HG2 MET A 108 11.801 31.288 71.593 1.00 0.00 +ATOM 1721 HG3 MET A 108 10.208 30.786 72.145 1.00 0.00 +ATOM 1722 SD MET A 108 10.080 31.426 69.851 1.00 0.00 +ATOM 1723 CE MET A 108 8.270 31.526 70.101 1.00 0.00 +ATOM 1724 HE1 MET A 108 7.799 31.641 69.125 1.00 0.00 +ATOM 1725 HE2 MET A 108 8.210 32.438 70.695 1.00 0.00 +ATOM 1726 HE3 MET A 108 7.889 30.685 70.681 1.00 0.00 +ATOM 1727 C MET A 108 10.571 35.442 72.175 1.00 0.00 +ATOM 1728 O MET A 108 9.333 35.637 72.142 1.00 0.00 +ATOM 1729 N ALA A 109 11.499 36.234 72.706 1.00 0.00 +ATOM 1730 H ALA A 109 12.465 35.943 72.665 1.00 0.00 +ATOM 1731 CA ALA A 109 11.158 37.496 73.151 1.00 0.00 +ATOM 1732 HA ALA A 109 10.260 37.533 73.769 1.00 0.00 +ATOM 1733 CB ALA A 109 12.295 38.119 74.001 1.00 0.00 +ATOM 1734 HB1 ALA A 109 13.093 38.291 73.279 1.00 0.00 +ATOM 1735 HB2 ALA A 109 12.758 37.499 74.769 1.00 0.00 +ATOM 1736 HB3 ALA A 109 12.024 39.085 74.426 1.00 0.00 +ATOM 1737 C ALA A 109 10.928 38.391 71.899 1.00 0.00 +ATOM 1738 O ALA A 109 9.926 39.036 71.849 1.00 0.00 +ATOM 1739 N TYR A 110 11.757 38.265 70.852 1.00 0.00 +ATOM 1740 H TYR A 110 12.613 37.749 70.999 1.00 0.00 +ATOM 1741 CA TYR A 110 11.423 38.902 69.551 1.00 0.00 +ATOM 1742 HA TYR A 110 11.261 39.969 69.705 1.00 0.00 +ATOM 1743 CB TYR A 110 12.719 38.772 68.777 1.00 0.00 +ATOM 1744 HB2 TYR A 110 13.468 39.422 69.230 1.00 0.00 +ATOM 1745 HB3 TYR A 110 13.186 37.797 68.918 1.00 0.00 +ATOM 1746 CG TYR A 110 12.637 39.126 67.345 1.00 0.00 +ATOM 1747 CD1 TYR A 110 12.947 40.435 66.973 1.00 0.00 +ATOM 1748 HD1 TYR A 110 13.172 41.154 67.747 1.00 0.00 +ATOM 1749 CD2 TYR A 110 12.327 38.189 66.309 1.00 0.00 +ATOM 1750 HD2 TYR A 110 12.160 37.137 66.487 1.00 0.00 +ATOM 1751 CE1 TYR A 110 12.760 40.850 65.675 1.00 0.00 +ATOM 1752 HE1 TYR A 110 12.800 41.900 65.426 1.00 0.00 +ATOM 1753 CE2 TYR A 110 12.028 38.614 64.987 1.00 0.00 +ATOM 1754 HE2 TYR A 110 11.724 37.952 64.190 1.00 0.00 +ATOM 1755 CZ TYR A 110 12.158 39.978 64.707 1.00 0.00 +ATOM 1756 OH TYR A 110 11.713 40.480 63.518 1.00 0.00 +ATOM 1757 HH TYR A 110 11.330 39.862 62.891 1.00 0.00 +ATOM 1758 C TYR A 110 10.236 38.316 68.822 1.00 0.00 +ATOM 1759 O TYR A 110 9.386 39.015 68.228 1.00 0.00 +ATOM 1760 N VAL A 111 10.110 37.009 68.839 1.00 0.00 +ATOM 1761 H VAL A 111 10.845 36.368 69.101 1.00 0.00 +ATOM 1762 CA VAL A 111 8.958 36.410 68.089 1.00 0.00 +ATOM 1763 HA VAL A 111 8.910 36.887 67.110 1.00 0.00 +ATOM 1764 CB VAL A 111 9.158 34.940 67.982 1.00 0.00 +ATOM 1765 HB VAL A 111 9.061 34.486 68.968 1.00 0.00 +ATOM 1766 CG1 VAL A 111 8.134 34.239 67.122 1.00 0.00 +ATOM 1767 HG11 VAL A 111 7.122 34.369 67.506 1.00 0.00 +ATOM 1768 HG12 VAL A 111 8.256 34.608 66.104 1.00 0.00 +ATOM 1769 HG13 VAL A 111 8.239 33.155 67.171 1.00 0.00 +ATOM 1770 CG2 VAL A 111 10.535 34.536 67.418 1.00 0.00 +ATOM 1771 HG21 VAL A 111 10.569 34.943 66.408 1.00 0.00 +ATOM 1772 HG22 VAL A 111 10.517 33.454 67.551 1.00 0.00 +ATOM 1773 HG23 VAL A 111 11.374 34.790 68.066 1.00 0.00 +ATOM 1774 C VAL A 111 7.633 36.729 68.741 1.00 0.00 +ATOM 1775 O VAL A 111 6.628 36.967 68.091 1.00 0.00 +ATOM 1776 N GLU A 112 7.594 36.756 70.080 1.00 0.00 +ATOM 1777 H GLU A 112 8.417 36.417 70.558 1.00 0.00 +ATOM 1778 CA GLU A 112 6.452 37.266 70.841 1.00 0.00 +ATOM 1779 HA GLU A 112 5.475 36.838 70.616 1.00 0.00 +ATOM 1780 CB GLU A 112 6.696 36.942 72.361 1.00 0.00 +ATOM 1781 HB2 GLU A 112 6.580 35.864 72.473 1.00 0.00 +ATOM 1782 HB3 GLU A 112 7.687 37.247 72.698 1.00 0.00 +ATOM 1783 CG GLU A 112 5.600 37.541 73.234 1.00 0.00 +ATOM 1784 HG2 GLU A 112 5.738 38.610 73.077 1.00 0.00 +ATOM 1785 HG3 GLU A 112 4.684 37.328 72.682 1.00 0.00 +ATOM 1786 CD GLU A 112 5.763 37.185 74.707 1.00 0.00 +ATOM 1787 OE1 GLU A 112 6.296 37.977 75.551 1.00 0.00 +ATOM 1788 OE2 GLU A 112 5.160 36.154 75.104 1.00 0.00 +ATOM 1789 C GLU A 112 6.312 38.854 70.641 1.00 0.00 +ATOM 1790 O GLU A 112 5.194 39.314 70.414 1.00 0.00 +ATOM 1791 N ARG A 113 7.380 39.628 70.647 1.00 0.00 +ATOM 1792 H ARG A 113 8.248 39.113 70.685 1.00 0.00 +ATOM 1793 CA ARG A 113 7.282 41.113 70.444 1.00 0.00 +ATOM 1794 HA ARG A 113 6.448 41.506 71.024 1.00 0.00 +ATOM 1795 CB ARG A 113 8.624 41.791 70.984 1.00 0.00 +ATOM 1796 HB2 ARG A 113 8.790 41.494 72.019 1.00 0.00 +ATOM 1797 HB3 ARG A 113 9.499 41.527 70.389 1.00 0.00 +ATOM 1798 CG ARG A 113 8.555 43.377 71.100 1.00 0.00 +ATOM 1799 HG2 ARG A 113 7.576 43.624 71.512 1.00 0.00 +ATOM 1800 HG3 ARG A 113 8.704 43.833 70.121 1.00 0.00 +ATOM 1801 CD ARG A 113 9.570 43.959 72.082 1.00 0.00 +ATOM 1802 HD2 ARG A 113 10.424 43.283 72.034 1.00 0.00 +ATOM 1803 HD3 ARG A 113 10.026 44.905 71.787 1.00 0.00 +ATOM 1804 NE ARG A 113 9.034 44.152 73.389 1.00 0.00 +ATOM 1805 HE ARG A 113 8.463 44.973 73.530 1.00 0.00 +ATOM 1806 CZ ARG A 113 9.298 43.564 74.579 1.00 0.00 +ATOM 1807 NH1 ARG A 113 10.147 42.634 74.730 1.00 0.00 +ATOM 1808 HH11 ARG A 113 10.436 42.282 75.631 1.00 0.00 +ATOM 1809 HH12 ARG A 113 10.502 42.189 73.896 1.00 0.00 +ATOM 1810 NH2 ARG A 113 8.709 43.966 75.648 1.00 0.00 +ATOM 1811 HH21 ARG A 113 9.166 43.693 76.507 1.00 0.00 +ATOM 1812 HH22 ARG A 113 8.166 44.815 75.710 1.00 0.00 +ATOM 1813 C ARG A 113 6.854 41.509 69.046 1.00 0.00 +ATOM 1814 O ARG A 113 6.218 42.482 68.923 1.00 0.00 +ATOM 1815 N MET A 114 7.022 40.607 68.060 1.00 0.00 +ATOM 1816 H MET A 114 7.714 39.898 68.258 1.00 0.00 +ATOM 1817 CA MET A 114 6.382 40.771 66.785 1.00 0.00 +ATOM 1818 HA MET A 114 6.160 41.832 66.667 1.00 0.00 +ATOM 1819 CB MET A 114 7.391 40.438 65.682 1.00 0.00 +ATOM 1820 HB2 MET A 114 6.930 40.700 64.730 1.00 0.00 +ATOM 1821 HB3 MET A 114 7.653 39.383 65.602 1.00 0.00 +ATOM 1822 CG MET A 114 8.730 41.227 65.663 1.00 0.00 +ATOM 1823 HG2 MET A 114 9.308 40.995 64.769 1.00 0.00 +ATOM 1824 HG3 MET A 114 9.306 41.081 66.577 1.00 0.00 +ATOM 1825 SD MET A 114 8.556 43.027 65.836 1.00 0.00 +ATOM 1826 CE MET A 114 10.318 43.477 65.703 1.00 0.00 +ATOM 1827 HE1 MET A 114 10.845 43.248 66.629 1.00 0.00 +ATOM 1828 HE2 MET A 114 10.311 44.561 65.594 1.00 0.00 +ATOM 1829 HE3 MET A 114 10.812 42.995 64.859 1.00 0.00 +ATOM 1830 C MET A 114 5.051 40.004 66.568 1.00 0.00 +ATOM 1831 O MET A 114 4.567 39.801 65.503 1.00 0.00 +ATOM 1832 N ASN A 115 4.492 39.451 67.620 1.00 0.00 +ATOM 1833 H ASN A 115 4.837 39.611 68.556 1.00 0.00 +ATOM 1834 CA ASN A 115 3.322 38.567 67.632 1.00 0.00 +ATOM 1835 HA ASN A 115 3.196 37.897 68.483 1.00 0.00 +ATOM 1836 CB ASN A 115 2.084 39.491 67.771 1.00 0.00 +ATOM 1837 HB2 ASN A 115 1.158 38.964 68.002 1.00 0.00 +ATOM 1838 HB3 ASN A 115 2.029 40.043 66.833 1.00 0.00 +ATOM 1839 CG ASN A 115 2.229 40.500 68.857 1.00 0.00 +ATOM 1840 OD1 ASN A 115 2.728 41.631 68.753 1.00 0.00 +ATOM 1841 ND2 ASN A 115 1.787 40.179 70.080 1.00 0.00 +ATOM 1842 HD21 ASN A 115 1.602 40.954 70.701 1.00 0.00 +ATOM 1843 HD22 ASN A 115 1.356 39.272 70.181 1.00 0.00 +ATOM 1844 C ASN A 115 3.232 37.638 66.415 1.00 0.00 +ATOM 1845 O ASN A 115 2.240 37.603 65.662 1.00 0.00 +ATOM 1846 N TYR A 116 4.247 36.761 66.158 1.00 0.00 +ATOM 1847 H TYR A 116 5.026 36.842 66.796 1.00 0.00 +ATOM 1848 CA TYR A 116 4.336 35.739 65.129 1.00 0.00 +ATOM 1849 HA TYR A 116 3.578 36.067 64.416 1.00 0.00 +ATOM 1850 CB TYR A 116 5.703 35.883 64.433 1.00 0.00 +ATOM 1851 HB2 TYR A 116 6.544 35.739 65.111 1.00 0.00 +ATOM 1852 HB3 TYR A 116 5.705 36.849 63.927 1.00 0.00 +ATOM 1853 CG TYR A 116 5.899 34.916 63.219 1.00 0.00 +ATOM 1854 CD1 TYR A 116 5.073 35.067 62.057 1.00 0.00 +ATOM 1855 HD1 TYR A 116 4.345 35.861 61.987 1.00 0.00 +ATOM 1856 CD2 TYR A 116 6.761 33.823 63.247 1.00 0.00 +ATOM 1857 HD2 TYR A 116 7.244 33.592 64.185 1.00 0.00 +ATOM 1858 CE1 TYR A 116 5.073 34.259 60.936 1.00 0.00 +ATOM 1859 HE1 TYR A 116 4.428 34.469 60.096 1.00 0.00 +ATOM 1860 CE2 TYR A 116 6.881 33.039 62.096 1.00 0.00 +ATOM 1861 HE2 TYR A 116 7.627 32.258 62.103 1.00 0.00 +ATOM 1862 CZ TYR A 116 5.998 33.205 60.958 1.00 0.00 +ATOM 1863 OH TYR A 116 6.222 32.419 59.879 1.00 0.00 +ATOM 1864 HH TYR A 116 5.459 32.470 59.299 1.00 0.00 +ATOM 1865 C TYR A 116 4.036 34.330 65.639 1.00 0.00 +ATOM 1866 O TYR A 116 4.010 34.145 66.894 1.00 0.00 +ATOM 1867 N VAL A 117 3.773 33.379 64.744 1.00 0.00 +ATOM 1868 H VAL A 117 3.953 33.567 63.768 1.00 0.00 +ATOM 1869 CA VAL A 117 3.509 31.950 65.197 1.00 0.00 +ATOM 1870 HA VAL A 117 3.568 31.887 66.283 1.00 0.00 +ATOM 1871 CB VAL A 117 2.069 31.410 64.933 1.00 0.00 +ATOM 1872 HB VAL A 117 2.054 30.356 65.212 1.00 0.00 +ATOM 1873 CG1 VAL A 117 1.010 32.224 65.805 1.00 0.00 +ATOM 1874 HG11 VAL A 117 0.718 33.163 65.333 1.00 0.00 +ATOM 1875 HG12 VAL A 117 1.317 32.290 66.849 1.00 0.00 +ATOM 1876 HG13 VAL A 117 0.083 31.653 65.854 1.00 0.00 +ATOM 1877 CG2 VAL A 117 1.619 31.483 63.477 1.00 0.00 +ATOM 1878 HG21 VAL A 117 1.294 32.473 63.158 1.00 0.00 +ATOM 1879 HG22 VAL A 117 2.432 31.066 62.883 1.00 0.00 +ATOM 1880 HG23 VAL A 117 0.747 30.850 63.312 1.00 0.00 +ATOM 1881 C VAL A 117 4.589 30.941 64.739 1.00 0.00 +ATOM 1882 O VAL A 117 4.918 30.936 63.485 1.00 0.00 +ATOM 1883 N HIS A 118 5.002 30.037 65.672 1.00 0.00 +ATOM 1884 H HIS A 118 4.714 30.159 66.632 1.00 0.00 +ATOM 1885 CA HIS A 118 6.072 29.157 65.465 1.00 0.00 +ATOM 1886 HA HIS A 118 6.645 29.385 64.567 1.00 0.00 +ATOM 1887 ND1 HIS A 118 8.772 27.763 65.562 1.00 0.00 +ATOM 1888 HD1 HIS A 118 8.166 26.998 65.302 1.00 0.00 +ATOM 1889 CG HIS A 118 8.479 28.991 66.209 1.00 0.00 +ATOM 1890 CB HIS A 118 7.071 29.408 66.592 1.00 0.00 +ATOM 1891 HB2 HIS A 118 6.785 28.744 67.408 1.00 0.00 +ATOM 1892 HB3 HIS A 118 6.991 30.413 67.007 1.00 0.00 +ATOM 1893 NE2 HIS A 118 10.684 28.719 65.994 1.00 0.00 +ATOM 1894 CD2 HIS A 118 9.681 29.642 66.454 1.00 0.00 +ATOM 1895 HD2 HIS A 118 9.870 30.475 67.115 1.00 0.00 +ATOM 1896 CE1 HIS A 118 10.069 27.672 65.402 1.00 0.00 +ATOM 1897 HE1 HIS A 118 10.488 26.878 64.802 1.00 0.00 +ATOM 1898 C HIS A 118 5.579 27.752 65.257 1.00 0.00 +ATOM 1899 O HIS A 118 6.102 27.060 64.351 1.00 0.00 +ATOM 1900 N ARG A 119 4.579 27.287 66.086 1.00 0.00 +ATOM 1901 H ARG A 119 4.474 27.942 66.848 1.00 0.00 +ATOM 1902 CA ARG A 119 3.719 26.130 65.943 1.00 0.00 +ATOM 1903 HA ARG A 119 3.131 26.180 66.859 1.00 0.00 +ATOM 1904 CB ARG A 119 2.762 26.205 64.692 1.00 0.00 +ATOM 1905 HB2 ARG A 119 2.988 27.145 64.190 1.00 0.00 +ATOM 1906 HB3 ARG A 119 2.971 25.458 63.926 1.00 0.00 +ATOM 1907 CG ARG A 119 1.285 26.070 65.055 1.00 0.00 +ATOM 1908 HG2 ARG A 119 1.154 25.216 65.719 1.00 0.00 +ATOM 1909 HG3 ARG A 119 1.043 26.992 65.584 1.00 0.00 +ATOM 1910 CD ARG A 119 0.344 25.876 63.826 1.00 0.00 +ATOM 1911 HD2 ARG A 119 0.737 26.527 63.045 1.00 0.00 +ATOM 1912 HD3 ARG A 119 -0.635 26.142 64.226 1.00 0.00 +ATOM 1913 NE ARG A 119 0.402 24.473 63.394 1.00 0.00 +ATOM 1914 HE ARG A 119 1.185 23.916 63.706 1.00 0.00 +ATOM 1915 CZ ARG A 119 -0.524 23.793 62.714 1.00 0.00 +ATOM 1916 NH1 ARG A 119 -1.628 24.339 62.261 1.00 0.00 +ATOM 1917 HH11 ARG A 119 -2.377 23.869 61.774 1.00 0.00 +ATOM 1918 HH12 ARG A 119 -1.808 25.302 62.506 1.00 0.00 +ATOM 1919 NH2 ARG A 119 -0.266 22.557 62.378 1.00 0.00 +ATOM 1920 HH21 ARG A 119 0.615 22.159 62.670 1.00 0.00 +ATOM 1921 HH22 ARG A 119 -0.911 21.931 61.919 1.00 0.00 +ATOM 1922 C ARG A 119 4.404 24.741 66.129 1.00 0.00 +ATOM 1923 O ARG A 119 3.788 23.789 66.593 1.00 0.00 +ATOM 1924 N ASP A 120 5.781 24.785 66.150 1.00 0.00 +ATOM 1925 H ASP A 120 6.300 25.626 65.940 1.00 0.00 +ATOM 1926 CA ASP A 120 6.644 23.745 66.694 1.00 0.00 +ATOM 1927 HA ASP A 120 6.149 23.362 67.587 1.00 0.00 +ATOM 1928 CB ASP A 120 6.896 22.657 65.691 1.00 0.00 +ATOM 1929 HB2 ASP A 120 7.589 23.075 64.961 1.00 0.00 +ATOM 1930 HB3 ASP A 120 5.948 22.460 65.191 1.00 0.00 +ATOM 1931 CG ASP A 120 7.405 21.355 66.272 1.00 0.00 +ATOM 1932 OD1 ASP A 120 7.430 21.251 67.530 1.00 0.00 +ATOM 1933 OD2 ASP A 120 7.659 20.342 65.598 1.00 0.00 +ATOM 1934 C ASP A 120 7.977 24.238 67.253 1.00 0.00 +ATOM 1935 O ASP A 120 8.634 25.025 66.578 1.00 0.00 +ATOM 1936 N LEU A 121 8.412 23.808 68.432 1.00 0.00 +ATOM 1937 H LEU A 121 7.821 23.224 69.007 1.00 0.00 +ATOM 1938 CA LEU A 121 9.618 24.317 69.033 1.00 0.00 +ATOM 1939 HA LEU A 121 10.310 24.586 68.235 1.00 0.00 +ATOM 1940 CB LEU A 121 9.280 25.626 69.901 1.00 0.00 +ATOM 1941 HB2 LEU A 121 8.636 26.229 69.262 1.00 0.00 +ATOM 1942 HB3 LEU A 121 8.904 25.331 70.881 1.00 0.00 +ATOM 1943 CG LEU A 121 10.629 26.430 70.195 1.00 0.00 +ATOM 1944 HG LEU A 121 11.350 25.782 70.691 1.00 0.00 +ATOM 1945 CD1 LEU A 121 11.345 27.015 68.956 1.00 0.00 +ATOM 1946 HD11 LEU A 121 11.392 26.356 68.089 1.00 0.00 +ATOM 1947 HD12 LEU A 121 10.823 27.895 68.580 1.00 0.00 +ATOM 1948 HD13 LEU A 121 12.375 27.289 69.186 1.00 0.00 +ATOM 1949 CD2 LEU A 121 10.320 27.590 71.161 1.00 0.00 +ATOM 1950 HD21 LEU A 121 11.299 28.005 71.399 1.00 0.00 +ATOM 1951 HD22 LEU A 121 9.826 28.393 70.613 1.00 0.00 +ATOM 1952 HD23 LEU A 121 9.662 27.257 71.963 1.00 0.00 +ATOM 1953 C LEU A 121 10.308 23.199 69.846 1.00 0.00 +ATOM 1954 O LEU A 121 10.771 23.373 70.966 1.00 0.00 +ATOM 1955 N ARG A 122 10.386 22.033 69.236 1.00 0.00 +ATOM 1956 H ARG A 122 9.990 22.055 68.307 1.00 0.00 +ATOM 1957 CA ARG A 122 11.174 20.884 69.697 1.00 0.00 +ATOM 1958 HA ARG A 122 11.094 20.816 70.781 1.00 0.00 +ATOM 1959 CB ARG A 122 10.650 19.500 69.198 1.00 0.00 +ATOM 1960 HB2 ARG A 122 9.560 19.492 69.197 1.00 0.00 +ATOM 1961 HB3 ARG A 122 10.912 18.702 69.893 1.00 0.00 +ATOM 1962 CG ARG A 122 11.229 19.156 67.848 1.00 0.00 +ATOM 1963 HG2 ARG A 122 12.306 19.005 67.926 1.00 0.00 +ATOM 1964 HG3 ARG A 122 10.865 19.948 67.193 1.00 0.00 +ATOM 1965 CD ARG A 122 10.512 17.919 67.395 1.00 0.00 +ATOM 1966 HD2 ARG A 122 11.180 17.292 66.804 1.00 0.00 +ATOM 1967 HD3 ARG A 122 10.259 17.338 68.282 1.00 0.00 +ATOM 1968 NE ARG A 122 9.198 18.224 66.727 1.00 0.00 +ATOM 1969 HE ARG A 122 8.934 19.157 66.445 1.00 0.00 +ATOM 1970 CZ ARG A 122 8.286 17.308 66.302 1.00 0.00 +ATOM 1971 NH1 ARG A 122 8.475 16.021 66.471 1.00 0.00 +ATOM 1972 HH11 ARG A 122 7.821 15.331 66.129 1.00 0.00 +ATOM 1973 HH12 ARG A 122 9.321 15.698 66.917 1.00 0.00 +ATOM 1974 NH2 ARG A 122 7.268 17.615 65.612 1.00 0.00 +ATOM 1975 HH21 ARG A 122 7.065 18.604 65.575 1.00 0.00 +ATOM 1976 HH22 ARG A 122 6.835 16.986 64.951 1.00 0.00 +ATOM 1977 C ARG A 122 12.736 21.057 69.546 1.00 0.00 +ATOM 1978 O ARG A 122 13.120 21.871 68.685 1.00 0.00 +ATOM 1979 N ALA A 123 13.663 20.502 70.287 1.00 0.00 +ATOM 1980 H ALA A 123 13.323 19.859 70.987 1.00 0.00 +ATOM 1981 CA ALA A 123 15.105 20.656 70.228 1.00 0.00 +ATOM 1982 HA ALA A 123 15.406 21.635 70.601 1.00 0.00 +ATOM 1983 CB ALA A 123 15.728 19.605 71.119 1.00 0.00 +ATOM 1984 HB1 ALA A 123 15.651 19.858 72.177 1.00 0.00 +ATOM 1985 HB2 ALA A 123 15.302 18.618 70.944 1.00 0.00 +ATOM 1986 HB3 ALA A 123 16.791 19.563 70.882 1.00 0.00 +ATOM 1987 C ALA A 123 15.609 20.593 68.771 1.00 0.00 +ATOM 1988 O ALA A 123 16.631 21.173 68.336 1.00 0.00 +ATOM 1989 N ALA A 124 15.028 19.807 67.875 1.00 0.00 +ATOM 1990 H ALA A 124 14.241 19.286 68.235 1.00 0.00 +ATOM 1991 CA ALA A 124 15.344 19.707 66.423 1.00 0.00 +ATOM 1992 HA ALA A 124 16.389 19.418 66.306 1.00 0.00 +ATOM 1993 CB ALA A 124 14.607 18.497 65.820 1.00 0.00 +ATOM 1994 HB1 ALA A 124 13.526 18.636 65.800 1.00 0.00 +ATOM 1995 HB2 ALA A 124 15.047 18.416 64.826 1.00 0.00 +ATOM 1996 HB3 ALA A 124 14.864 17.604 66.389 1.00 0.00 +ATOM 1997 C ALA A 124 15.138 21.055 65.594 1.00 0.00 +ATOM 1998 O ALA A 124 15.880 21.280 64.589 1.00 0.00 +ATOM 1999 N ASN A 125 14.299 21.994 66.004 1.00 0.00 +ATOM 2000 H ASN A 125 13.846 21.826 66.890 1.00 0.00 +ATOM 2001 CA ASN A 125 14.019 23.346 65.398 1.00 0.00 +ATOM 2002 HA ASN A 125 14.066 23.221 64.317 1.00 0.00 +ATOM 2003 CB ASN A 125 12.567 23.740 65.801 1.00 0.00 +ATOM 2004 HB2 ASN A 125 12.285 24.608 65.204 1.00 0.00 +ATOM 2005 HB3 ASN A 125 12.461 23.834 66.882 1.00 0.00 +ATOM 2006 CG ASN A 125 11.551 22.563 65.601 1.00 0.00 +ATOM 2007 OD1 ASN A 125 10.681 22.379 66.439 1.00 0.00 +ATOM 2008 ND2 ASN A 125 11.414 22.006 64.404 1.00 0.00 +ATOM 2009 HD21 ASN A 125 12.019 22.266 63.638 1.00 0.00 +ATOM 2010 HD22 ASN A 125 10.585 21.431 64.355 1.00 0.00 +ATOM 2011 C ASN A 125 15.073 24.379 65.761 1.00 0.00 +ATOM 2012 O ASN A 125 14.958 25.485 65.345 1.00 0.00 +ATOM 2013 N ILE A 126 16.121 23.952 66.514 1.00 0.00 +ATOM 2014 H ILE A 126 16.393 22.979 66.513 1.00 0.00 +ATOM 2015 CA ILE A 126 17.120 24.769 67.112 1.00 0.00 +ATOM 2016 HA ILE A 126 17.086 25.753 66.643 1.00 0.00 +ATOM 2017 CB ILE A 126 16.964 25.017 68.644 1.00 0.00 +ATOM 2018 HB ILE A 126 16.947 24.020 69.084 1.00 0.00 +ATOM 2019 CG1 ILE A 126 15.766 25.864 69.128 1.00 0.00 +ATOM 2020 HG12 ILE A 126 15.979 26.009 70.187 1.00 0.00 +ATOM 2021 HG13 ILE A 126 15.751 26.821 68.607 1.00 0.00 +ATOM 2022 CG2 ILE A 126 18.147 25.802 69.105 1.00 0.00 +ATOM 2023 HG21 ILE A 126 18.060 26.722 68.527 1.00 0.00 +ATOM 2024 HG22 ILE A 126 18.107 26.084 70.157 1.00 0.00 +ATOM 2025 HG23 ILE A 126 19.135 25.491 68.766 1.00 0.00 +ATOM 2026 CD1 ILE A 126 14.398 25.193 69.093 1.00 0.00 +ATOM 2027 HD11 ILE A 126 13.966 25.582 68.171 1.00 0.00 +ATOM 2028 HD12 ILE A 126 14.588 24.120 69.122 1.00 0.00 +ATOM 2029 HD13 ILE A 126 13.855 25.420 70.010 1.00 0.00 +ATOM 2030 C ILE A 126 18.440 24.209 66.732 1.00 0.00 +ATOM 2031 O ILE A 126 18.635 22.935 66.773 1.00 0.00 +ATOM 2032 N LEU A 127 19.307 25.088 66.267 1.00 0.00 +ATOM 2033 H LEU A 127 19.058 26.051 66.097 1.00 0.00 +ATOM 2034 CA LEU A 127 20.646 24.759 65.823 1.00 0.00 +ATOM 2035 HA LEU A 127 20.752 23.680 65.936 1.00 0.00 +ATOM 2036 CB LEU A 127 20.993 25.274 64.375 1.00 0.00 +ATOM 2037 HB2 LEU A 127 22.019 24.952 64.197 1.00 0.00 +ATOM 2038 HB3 LEU A 127 20.925 26.360 64.306 1.00 0.00 +ATOM 2039 CG LEU A 127 20.047 24.670 63.304 1.00 0.00 +ATOM 2040 HG LEU A 127 19.000 24.926 63.465 1.00 0.00 +ATOM 2041 CD1 LEU A 127 20.409 25.404 62.068 1.00 0.00 +ATOM 2042 HD11 LEU A 127 20.002 26.372 62.358 1.00 0.00 +ATOM 2043 HD12 LEU A 127 19.828 25.012 61.233 1.00 0.00 +ATOM 2044 HD13 LEU A 127 21.485 25.430 61.898 1.00 0.00 +ATOM 2045 CD2 LEU A 127 20.204 23.116 63.064 1.00 0.00 +ATOM 2046 HD21 LEU A 127 20.006 22.636 64.022 1.00 0.00 +ATOM 2047 HD22 LEU A 127 21.212 22.888 62.717 1.00 0.00 +ATOM 2048 HD23 LEU A 127 19.548 22.648 62.330 1.00 0.00 +ATOM 2049 C LEU A 127 21.649 25.354 66.856 1.00 0.00 +ATOM 2050 O LEU A 127 21.366 26.456 67.320 1.00 0.00 +ATOM 2051 N VAL A 128 22.796 24.714 67.081 1.00 0.00 +ATOM 2052 H VAL A 128 22.912 23.857 66.559 1.00 0.00 +ATOM 2053 CA VAL A 128 23.954 25.004 67.998 1.00 0.00 +ATOM 2054 HA VAL A 128 23.720 25.877 68.607 1.00 0.00 +ATOM 2055 CB VAL A 128 24.278 23.819 68.924 1.00 0.00 +ATOM 2056 HB VAL A 128 24.787 23.028 68.374 1.00 0.00 +ATOM 2057 CG1 VAL A 128 25.265 24.179 70.088 1.00 0.00 +ATOM 2058 HG11 VAL A 128 25.577 23.244 70.553 1.00 0.00 +ATOM 2059 HG12 VAL A 128 26.174 24.622 69.682 1.00 0.00 +ATOM 2060 HG13 VAL A 128 24.773 24.839 70.803 1.00 0.00 +ATOM 2061 CG2 VAL A 128 23.074 23.235 69.577 1.00 0.00 +ATOM 2062 HG21 VAL A 128 23.327 22.437 70.275 1.00 0.00 +ATOM 2063 HG22 VAL A 128 22.288 22.932 68.885 1.00 0.00 +ATOM 2064 HG23 VAL A 128 22.689 23.980 70.273 1.00 0.00 +ATOM 2065 C VAL A 128 25.132 25.291 67.050 1.00 0.00 +ATOM 2066 O VAL A 128 25.290 24.715 65.936 1.00 0.00 +ATOM 2067 N GLY A 129 25.995 26.213 67.532 1.00 0.00 +ATOM 2068 H GLY A 129 25.894 26.624 68.449 1.00 0.00 +ATOM 2069 CA GLY A 129 27.089 26.684 66.693 1.00 0.00 +ATOM 2070 HA2 GLY A 129 26.899 27.720 66.412 1.00 0.00 +ATOM 2071 HA3 GLY A 129 27.333 26.070 65.827 1.00 0.00 +ATOM 2072 C GLY A 129 28.437 26.756 67.448 1.00 0.00 +ATOM 2073 O GLY A 129 28.478 26.395 68.641 1.00 0.00 +ATOM 2074 N GLU A 130 29.562 27.198 66.809 1.00 0.00 +ATOM 2075 H GLU A 130 29.544 27.458 65.834 1.00 0.00 +ATOM 2076 CA GLU A 130 30.731 27.472 67.617 1.00 0.00 +ATOM 2077 HA GLU A 130 31.116 26.535 68.020 1.00 0.00 +ATOM 2078 CB GLU A 130 31.923 27.902 66.722 1.00 0.00 +ATOM 2079 HB2 GLU A 130 32.769 28.155 67.361 1.00 0.00 +ATOM 2080 HB3 GLU A 130 31.692 28.767 66.100 1.00 0.00 +ATOM 2081 CG GLU A 130 32.478 26.869 65.665 1.00 0.00 +ATOM 2082 HG2 GLU A 130 33.350 27.269 65.147 1.00 0.00 +ATOM 2083 HG3 GLU A 130 31.702 26.730 64.912 1.00 0.00 +ATOM 2084 CD GLU A 130 32.928 25.561 66.308 1.00 0.00 +ATOM 2085 OE1 GLU A 130 32.016 24.700 66.401 1.00 0.00 +ATOM 2086 OE2 GLU A 130 34.130 25.444 66.623 1.00 0.00 +ATOM 2087 C GLU A 130 30.452 28.528 68.703 1.00 0.00 +ATOM 2088 O GLU A 130 29.540 29.371 68.683 1.00 0.00 +ATOM 2089 N ASN A 131 31.273 28.399 69.783 1.00 0.00 +ATOM 2090 H ASN A 131 32.000 27.699 69.825 1.00 0.00 +ATOM 2091 CA ASN A 131 30.995 29.111 71.048 1.00 0.00 +ATOM 2092 HA ASN A 131 31.552 28.522 71.777 1.00 0.00 +ATOM 2093 CB ASN A 131 31.508 30.600 71.118 1.00 0.00 +ATOM 2094 HB2 ASN A 131 30.907 31.162 70.403 1.00 0.00 +ATOM 2095 HB3 ASN A 131 31.282 30.946 72.126 1.00 0.00 +ATOM 2096 CG ASN A 131 32.949 30.677 70.737 1.00 0.00 +ATOM 2097 OD1 ASN A 131 33.448 30.580 69.599 1.00 0.00 +ATOM 2098 ND2 ASN A 131 33.836 30.675 71.704 1.00 0.00 +ATOM 2099 HD21 ASN A 131 34.785 30.588 71.368 1.00 0.00 +ATOM 2100 HD22 ASN A 131 33.541 30.662 72.670 1.00 0.00 +ATOM 2101 C ASN A 131 29.579 28.950 71.587 1.00 0.00 +ATOM 2102 O ASN A 131 29.072 29.782 72.306 1.00 0.00 +ATOM 2103 N LEU A 132 28.951 27.842 71.245 1.00 0.00 +ATOM 2104 H LEU A 132 29.172 27.280 70.435 1.00 0.00 +ATOM 2105 CA LEU A 132 27.643 27.483 71.743 1.00 0.00 +ATOM 2106 HA LEU A 132 27.401 26.556 71.224 1.00 0.00 +ATOM 2107 CB LEU A 132 27.594 27.189 73.291 1.00 0.00 +ATOM 2108 HB2 LEU A 132 26.553 26.912 73.458 1.00 0.00 +ATOM 2109 HB3 LEU A 132 27.810 28.135 73.787 1.00 0.00 +ATOM 2110 CG LEU A 132 28.556 26.003 73.680 1.00 0.00 +ATOM 2111 HG LEU A 132 29.601 26.262 73.509 1.00 0.00 +ATOM 2112 CD1 LEU A 132 28.435 25.805 75.202 1.00 0.00 +ATOM 2113 HD11 LEU A 132 28.992 26.559 75.758 1.00 0.00 +ATOM 2114 HD12 LEU A 132 27.417 25.661 75.563 1.00 0.00 +ATOM 2115 HD13 LEU A 132 28.813 24.820 75.475 1.00 0.00 +ATOM 2116 CD2 LEU A 132 28.289 24.628 73.044 1.00 0.00 +ATOM 2117 HD21 LEU A 132 28.926 23.896 73.539 1.00 0.00 +ATOM 2118 HD22 LEU A 132 28.431 24.571 71.964 1.00 0.00 +ATOM 2119 HD23 LEU A 132 27.242 24.364 73.192 1.00 0.00 +ATOM 2120 C LEU A 132 26.507 28.398 71.190 1.00 0.00 +ATOM 2121 O LEU A 132 25.417 28.322 71.705 1.00 0.00 +ATOM 2122 N VAL A 133 26.797 29.245 70.257 1.00 0.00 +ATOM 2123 H VAL A 133 27.769 29.380 70.016 1.00 0.00 +ATOM 2124 CA VAL A 133 25.789 30.200 69.743 1.00 0.00 +ATOM 2125 HA VAL A 133 25.442 30.652 70.672 1.00 0.00 +ATOM 2126 CB VAL A 133 26.327 31.381 68.976 1.00 0.00 +ATOM 2127 HB VAL A 133 27.085 31.050 68.265 1.00 0.00 +ATOM 2128 CG1 VAL A 133 25.300 32.256 68.264 1.00 0.00 +ATOM 2129 HG11 VAL A 133 25.004 31.869 67.289 1.00 0.00 +ATOM 2130 HG12 VAL A 133 25.552 33.316 68.296 1.00 0.00 +ATOM 2131 HG13 VAL A 133 24.397 32.350 68.867 1.00 0.00 +ATOM 2132 CG2 VAL A 133 27.074 32.272 70.010 1.00 0.00 +ATOM 2133 HG21 VAL A 133 27.353 31.732 70.915 1.00 0.00 +ATOM 2134 HG22 VAL A 133 26.554 33.201 70.244 1.00 0.00 +ATOM 2135 HG23 VAL A 133 28.000 32.655 69.580 1.00 0.00 +ATOM 2136 C VAL A 133 24.607 29.544 69.055 1.00 0.00 +ATOM 2137 O VAL A 133 24.778 28.936 67.963 1.00 0.00 +ATOM 2138 N CYS A 134 23.439 29.657 69.673 1.00 0.00 +ATOM 2139 H CYS A 134 23.439 30.352 70.406 1.00 0.00 +ATOM 2140 CA CYS A 134 22.197 28.995 69.266 1.00 0.00 +ATOM 2141 HA CYS A 134 22.417 28.105 68.678 1.00 0.00 +ATOM 2142 CB CYS A 134 21.511 28.466 70.529 1.00 0.00 +ATOM 2143 HB2 CYS A 134 21.494 29.184 71.349 1.00 0.00 +ATOM 2144 HB3 CYS A 134 20.448 28.397 70.298 1.00 0.00 +ATOM 2145 SG CYS A 134 22.454 26.918 70.942 1.00 0.00 +ATOM 2146 HG CYS A 134 23.571 27.643 71.045 1.00 0.00 +ATOM 2147 C CYS A 134 21.270 29.799 68.356 1.00 0.00 +ATOM 2148 O CYS A 134 21.170 31.007 68.630 1.00 0.00 +ATOM 2149 N LYS A 135 20.452 29.177 67.535 1.00 0.00 +ATOM 2150 H LYS A 135 20.423 28.167 67.558 1.00 0.00 +ATOM 2151 CA LYS A 135 19.542 29.867 66.589 1.00 0.00 +ATOM 2152 HA LYS A 135 19.123 30.738 67.093 1.00 0.00 +ATOM 2153 CB LYS A 135 20.231 30.323 65.248 1.00 0.00 +ATOM 2154 HB2 LYS A 135 20.693 29.444 64.798 1.00 0.00 +ATOM 2155 HB3 LYS A 135 19.454 30.754 64.616 1.00 0.00 +ATOM 2156 CG LYS A 135 21.347 31.397 65.480 1.00 0.00 +ATOM 2157 HG2 LYS A 135 21.159 32.230 66.158 1.00 0.00 +ATOM 2158 HG3 LYS A 135 22.160 30.858 65.967 1.00 0.00 +ATOM 2159 CD LYS A 135 21.694 31.877 64.034 1.00 0.00 +ATOM 2160 HD2 LYS A 135 20.927 32.605 63.768 1.00 0.00 +ATOM 2161 HD3 LYS A 135 21.750 31.098 63.274 1.00 0.00 +ATOM 2162 CE LYS A 135 23.149 32.536 64.094 1.00 0.00 +ATOM 2163 HE2 LYS A 135 23.246 33.158 64.983 1.00 0.00 +ATOM 2164 HE3 LYS A 135 23.918 31.768 64.180 1.00 0.00 +ATOM 2165 NZ LYS A 135 23.236 33.458 62.878 1.00 0.00 +ATOM 2166 HZ1 LYS A 135 22.474 34.110 62.756 1.00 0.00 +ATOM 2167 HZ2 LYS A 135 24.108 33.964 62.946 1.00 0.00 +ATOM 2168 HZ3 LYS A 135 23.381 32.956 62.013 1.00 0.00 +ATOM 2169 C LYS A 135 18.331 28.979 66.190 1.00 0.00 +ATOM 2170 O LYS A 135 18.552 27.789 65.837 1.00 0.00 +ATOM 2171 N VAL A 136 17.167 29.535 66.171 1.00 0.00 +ATOM 2172 H VAL A 136 17.125 30.506 66.447 1.00 0.00 +ATOM 2173 CA VAL A 136 15.989 28.845 65.839 1.00 0.00 +ATOM 2174 HA VAL A 136 16.099 27.794 66.105 1.00 0.00 +ATOM 2175 CB VAL A 136 14.785 29.498 66.578 1.00 0.00 +ATOM 2176 HB VAL A 136 14.346 30.278 65.956 1.00 0.00 +ATOM 2177 CG1 VAL A 136 13.664 28.466 66.814 1.00 0.00 +ATOM 2178 HG11 VAL A 136 12.950 28.848 67.545 1.00 0.00 +ATOM 2179 HG12 VAL A 136 14.056 27.497 67.124 1.00 0.00 +ATOM 2180 HG13 VAL A 136 13.130 28.251 65.889 1.00 0.00 +ATOM 2181 CG2 VAL A 136 15.270 30.010 68.014 1.00 0.00 +ATOM 2182 HG21 VAL A 136 15.963 29.330 68.509 1.00 0.00 +ATOM 2183 HG22 VAL A 136 15.681 31.014 67.905 1.00 0.00 +ATOM 2184 HG23 VAL A 136 14.392 30.101 68.653 1.00 0.00 +ATOM 2185 C VAL A 136 15.776 28.808 64.318 1.00 0.00 +ATOM 2186 O VAL A 136 16.301 29.565 63.504 1.00 0.00 +ATOM 2187 N ALA A 137 14.940 27.888 63.904 1.00 0.00 +ATOM 2188 H ALA A 137 14.369 27.443 64.607 1.00 0.00 +ATOM 2189 CA ALA A 137 14.701 27.370 62.469 1.00 0.00 +ATOM 2190 HA ALA A 137 14.944 28.142 61.739 1.00 0.00 +ATOM 2191 CB ALA A 137 15.687 26.189 62.262 1.00 0.00 +ATOM 2192 HB1 ALA A 137 15.521 25.723 61.291 1.00 0.00 +ATOM 2193 HB2 ALA A 137 16.708 26.571 62.267 1.00 0.00 +ATOM 2194 HB3 ALA A 137 15.567 25.448 63.052 1.00 0.00 +ATOM 2195 C ALA A 137 13.175 26.848 62.490 1.00 0.00 +ATOM 2196 O ALA A 137 12.539 27.006 63.509 1.00 0.00 +ATOM 2197 N ASP A 138 12.590 26.405 61.356 1.00 0.00 +ATOM 2198 H ASP A 138 13.245 26.242 60.604 1.00 0.00 +ATOM 2199 CA ASP A 138 11.211 25.840 61.060 1.00 0.00 +ATOM 2200 HA ASP A 138 11.165 25.876 59.972 1.00 0.00 +ATOM 2201 CB ASP A 138 11.195 24.411 61.658 1.00 0.00 +ATOM 2202 HB2 ASP A 138 10.333 23.787 61.422 1.00 0.00 +ATOM 2203 HB3 ASP A 138 11.142 24.549 62.738 1.00 0.00 +ATOM 2204 CG ASP A 138 12.510 23.577 61.350 1.00 0.00 +ATOM 2205 OD1 ASP A 138 13.044 23.689 60.236 1.00 0.00 +ATOM 2206 OD2 ASP A 138 12.996 22.817 62.224 1.00 0.00 +ATOM 2207 C ASP A 138 10.000 26.711 61.488 1.00 0.00 +ATOM 2208 O ASP A 138 8.863 26.284 61.316 1.00 0.00 +ATOM 2209 N PHE A 139 10.277 27.939 62.024 1.00 0.00 +ATOM 2210 H PHE A 139 11.212 28.096 62.374 1.00 0.00 +ATOM 2211 CA PHE A 139 9.256 28.955 62.371 1.00 0.00 +ATOM 2212 HA PHE A 139 8.705 28.628 63.253 1.00 0.00 +ATOM 2213 CB PHE A 139 9.969 30.277 62.787 1.00 0.00 +ATOM 2214 HB2 PHE A 139 9.260 31.099 62.885 1.00 0.00 +ATOM 2215 HB3 PHE A 139 10.219 30.114 63.835 1.00 0.00 +ATOM 2216 CG PHE A 139 11.113 30.760 61.945 1.00 0.00 +ATOM 2217 CD1 PHE A 139 11.034 31.691 60.925 1.00 0.00 +ATOM 2218 HD1 PHE A 139 10.026 31.897 60.597 1.00 0.00 +ATOM 2219 CD2 PHE A 139 12.430 30.444 62.442 1.00 0.00 +ATOM 2220 HD2 PHE A 139 12.546 29.780 63.286 1.00 0.00 +ATOM 2221 CE1 PHE A 139 12.184 32.189 60.297 1.00 0.00 +ATOM 2222 HE1 PHE A 139 12.104 32.979 59.565 1.00 0.00 +ATOM 2223 CE2 PHE A 139 13.559 30.796 61.694 1.00 0.00 +ATOM 2224 HE2 PHE A 139 14.523 30.406 61.984 1.00 0.00 +ATOM 2225 CZ PHE A 139 13.440 31.647 60.596 1.00 0.00 +ATOM 2226 HZ PHE A 139 14.302 31.842 59.976 1.00 0.00 +ATOM 2227 C PHE A 139 8.369 29.106 61.169 1.00 0.00 +ATOM 2228 O PHE A 139 8.806 29.314 60.044 1.00 0.00 +ATOM 2229 N GLY A 140 7.103 28.917 61.351 1.00 0.00 +ATOM 2230 H GLY A 140 6.754 28.540 62.221 1.00 0.00 +ATOM 2231 CA GLY A 140 6.054 29.137 60.293 1.00 0.00 +ATOM 2232 HA2 GLY A 140 6.496 29.861 59.609 1.00 0.00 +ATOM 2233 HA3 GLY A 140 5.120 29.443 60.764 1.00 0.00 +ATOM 2234 C GLY A 140 5.780 27.842 59.487 1.00 0.00 +ATOM 2235 O GLY A 140 4.671 27.422 59.410 1.00 0.00 +ATOM 2236 N LEU A 141 6.844 27.248 58.867 1.00 0.00 +ATOM 2237 H LEU A 141 7.690 27.767 59.056 1.00 0.00 +ATOM 2238 CA LEU A 141 6.713 25.946 58.067 1.00 0.00 +ATOM 2239 HA LEU A 141 6.307 26.265 57.108 1.00 0.00 +ATOM 2240 CB LEU A 141 8.153 25.369 57.914 1.00 0.00 +ATOM 2241 HB2 LEU A 141 8.685 26.144 57.361 1.00 0.00 +ATOM 2242 HB3 LEU A 141 8.573 25.323 58.919 1.00 0.00 +ATOM 2243 CG LEU A 141 8.344 23.992 57.261 1.00 0.00 +ATOM 2244 HG LEU A 141 8.000 23.154 57.867 1.00 0.00 +ATOM 2245 CD1 LEU A 141 7.630 23.941 55.909 1.00 0.00 +ATOM 2246 HD11 LEU A 141 7.530 24.913 55.425 1.00 0.00 +ATOM 2247 HD12 LEU A 141 6.593 23.682 56.126 1.00 0.00 +ATOM 2248 HD13 LEU A 141 8.052 23.170 55.265 1.00 0.00 +ATOM 2249 CD2 LEU A 141 9.809 23.954 57.027 1.00 0.00 +ATOM 2250 HD21 LEU A 141 10.426 24.013 57.924 1.00 0.00 +ATOM 2251 HD22 LEU A 141 9.911 22.975 56.559 1.00 0.00 +ATOM 2252 HD23 LEU A 141 10.185 24.720 56.349 1.00 0.00 +ATOM 2253 C LEU A 141 5.854 24.878 58.774 1.00 0.00 +ATOM 2254 O LEU A 141 5.044 24.148 58.138 1.00 0.00 +ATOM 2255 N ALA A 142 5.937 24.764 60.154 1.00 0.00 +ATOM 2256 H ALA A 142 6.799 25.051 60.597 1.00 0.00 +ATOM 2257 CA ALA A 142 5.010 23.903 60.941 1.00 0.00 +ATOM 2258 HA ALA A 142 5.227 22.869 60.677 1.00 0.00 +ATOM 2259 CB ALA A 142 5.310 24.070 62.489 1.00 0.00 +ATOM 2260 HB1 ALA A 142 5.437 25.103 62.815 1.00 0.00 +ATOM 2261 HB2 ALA A 142 6.311 23.645 62.564 1.00 0.00 +ATOM 2262 HB3 ALA A 142 4.602 23.558 63.141 1.00 0.00 +ATOM 2263 C ALA A 142 3.440 23.971 60.630 1.00 0.00 +ATOM 2264 O ALA A 142 2.696 23.099 61.056 1.00 0.00 +ATOM 2265 N ARG A 143 2.981 24.996 59.915 1.00 0.00 +ATOM 2266 H ARG A 143 3.708 25.640 59.638 1.00 0.00 +ATOM 2267 CA ARG A 143 1.498 25.214 59.517 1.00 0.00 +ATOM 2268 HA ARG A 143 0.825 24.707 60.208 1.00 0.00 +ATOM 2269 CB ARG A 143 1.180 26.755 59.515 1.00 0.00 +ATOM 2270 HB2 ARG A 143 1.923 27.215 58.865 1.00 0.00 +ATOM 2271 HB3 ARG A 143 1.315 27.110 60.537 1.00 0.00 +ATOM 2272 CG ARG A 143 -0.232 27.182 59.098 1.00 0.00 +ATOM 2273 HG2 ARG A 143 -0.351 27.078 58.020 1.00 0.00 +ATOM 2274 HG3 ARG A 143 -0.970 26.521 59.552 1.00 0.00 +ATOM 2275 CD ARG A 143 -0.604 28.571 59.637 1.00 0.00 +ATOM 2276 HD2 ARG A 143 -0.737 28.679 60.713 1.00 0.00 +ATOM 2277 HD3 ARG A 143 -1.565 28.823 59.187 1.00 0.00 +ATOM 2278 NE ARG A 143 0.307 29.713 59.158 1.00 0.00 +ATOM 2279 HE ARG A 143 1.150 29.502 58.642 1.00 0.00 +ATOM 2280 CZ ARG A 143 0.179 30.961 59.654 1.00 0.00 +ATOM 2281 NH1 ARG A 143 -0.765 31.385 60.432 1.00 0.00 +ATOM 2282 HH11 ARG A 143 -1.437 30.689 60.723 1.00 0.00 +ATOM 2283 HH12 ARG A 143 -0.644 32.249 60.940 1.00 0.00 +ATOM 2284 NH2 ARG A 143 1.107 31.846 59.262 1.00 0.00 +ATOM 2285 HH21 ARG A 143 0.913 32.824 59.422 1.00 0.00 +ATOM 2286 HH22 ARG A 143 1.933 31.633 58.721 1.00 0.00 +ATOM 2287 C ARG A 143 1.156 24.587 58.108 1.00 0.00 +ATOM 2288 O ARG A 143 -0.011 24.479 57.723 1.00 0.00 +ATOM 2289 N LEU A 144 2.134 24.308 57.327 1.00 0.00 +ATOM 2290 H LEU A 144 3.090 24.221 57.640 1.00 0.00 +ATOM 2291 CA LEU A 144 1.951 24.069 55.871 1.00 0.00 +ATOM 2292 HA LEU A 144 1.000 24.454 55.503 1.00 0.00 +ATOM 2293 CB LEU A 144 3.093 24.720 55.110 1.00 0.00 +ATOM 2294 HB2 LEU A 144 2.923 24.654 54.035 1.00 0.00 +ATOM 2295 HB3 LEU A 144 4.049 24.258 55.354 1.00 0.00 +ATOM 2296 CG LEU A 144 3.337 26.211 55.381 1.00 0.00 +ATOM 2297 HG LEU A 144 3.497 26.604 56.385 1.00 0.00 +ATOM 2298 CD1 LEU A 144 4.353 26.717 54.427 1.00 0.00 +ATOM 2299 HD11 LEU A 144 4.387 27.805 54.482 1.00 0.00 +ATOM 2300 HD12 LEU A 144 4.158 26.358 53.416 1.00 0.00 +ATOM 2301 HD13 LEU A 144 5.264 26.335 54.887 1.00 0.00 +ATOM 2302 CD2 LEU A 144 2.179 27.069 54.897 1.00 0.00 +ATOM 2303 HD21 LEU A 144 1.362 26.642 55.478 1.00 0.00 +ATOM 2304 HD22 LEU A 144 2.264 28.090 55.270 1.00 0.00 +ATOM 2305 HD23 LEU A 144 2.012 27.157 53.823 1.00 0.00 +ATOM 2306 C LEU A 144 1.864 22.594 55.379 1.00 0.00 +ATOM 2307 O LEU A 144 1.645 22.368 54.177 1.00 0.00 +ATOM 2308 N ILE A 145 2.188 21.629 56.227 1.00 0.00 +ATOM 2309 H ILE A 145 2.325 21.989 57.161 1.00 0.00 +ATOM 2310 CA ILE A 145 2.366 20.216 55.770 1.00 0.00 +ATOM 2311 HA ILE A 145 2.872 20.233 54.805 1.00 0.00 +ATOM 2312 CB ILE A 145 3.270 19.416 56.813 1.00 0.00 +ATOM 2313 HB ILE A 145 2.621 19.494 57.685 1.00 0.00 +ATOM 2314 CG1 ILE A 145 4.510 20.240 57.268 1.00 0.00 +ATOM 2315 HG12 ILE A 145 4.182 20.765 58.166 1.00 0.00 +ATOM 2316 HG13 ILE A 145 4.815 20.951 56.501 1.00 0.00 +ATOM 2317 CG2 ILE A 145 3.559 18.043 56.238 1.00 0.00 +ATOM 2318 HG21 ILE A 145 2.604 17.662 55.877 1.00 0.00 +ATOM 2319 HG22 ILE A 145 4.310 18.175 55.459 1.00 0.00 +ATOM 2320 HG23 ILE A 145 3.953 17.374 57.003 1.00 0.00 +ATOM 2321 CD1 ILE A 145 5.731 19.333 57.602 1.00 0.00 +ATOM 2322 HD11 ILE A 145 6.023 18.806 56.693 1.00 0.00 +ATOM 2323 HD12 ILE A 145 6.597 19.876 57.981 1.00 0.00 +ATOM 2324 HD13 ILE A 145 5.522 18.612 58.392 1.00 0.00 +ATOM 2325 C ILE A 145 0.975 19.520 55.571 1.00 0.00 +ATOM 2326 O ILE A 145 0.274 19.188 56.478 1.00 0.00 +ATOM 2327 N GLU A 146 0.624 19.317 54.366 1.00 0.00 +ATOM 2328 H GLU A 146 1.189 19.793 53.677 1.00 0.00 +ATOM 2329 CA GLU A 146 -0.629 18.909 53.802 1.00 0.00 +ATOM 2330 HA GLU A 146 -1.405 19.264 54.480 1.00 0.00 +ATOM 2331 CB GLU A 146 -0.804 19.549 52.407 1.00 0.00 +ATOM 2332 HB2 GLU A 146 0.141 19.470 51.870 1.00 0.00 +ATOM 2333 HB3 GLU A 146 -1.651 19.035 51.954 1.00 0.00 +ATOM 2334 CG GLU A 146 -1.302 21.038 52.521 1.00 0.00 +ATOM 2335 HG2 GLU A 146 -2.067 21.171 53.287 1.00 0.00 +ATOM 2336 HG3 GLU A 146 -0.457 21.563 52.966 1.00 0.00 +ATOM 2337 CD GLU A 146 -1.749 21.595 51.185 1.00 0.00 +ATOM 2338 OE1 GLU A 146 -0.914 21.945 50.325 1.00 0.00 +ATOM 2339 OE2 GLU A 146 -2.990 21.903 51.092 1.00 0.00 +ATOM 2340 C GLU A 146 -0.690 17.349 53.786 1.00 0.00 +ATOM 2341 O GLU A 146 -1.044 16.801 52.726 1.00 0.00 +ATOM 2342 N ASP A 147 -0.091 16.608 54.810 1.00 0.00 +ATOM 2343 H ASP A 147 -0.082 17.158 55.657 1.00 0.00 +ATOM 2344 CA ASP A 147 -0.094 15.117 54.833 1.00 0.00 +ATOM 2345 HA ASP A 147 -0.188 14.837 53.783 1.00 0.00 +ATOM 2346 CB ASP A 147 1.231 14.597 55.348 1.00 0.00 +ATOM 2347 HB2 ASP A 147 1.997 15.029 54.704 1.00 0.00 +ATOM 2348 HB3 ASP A 147 1.465 14.947 56.354 1.00 0.00 +ATOM 2349 CG ASP A 147 1.371 13.075 55.336 1.00 0.00 +ATOM 2350 OD1 ASP A 147 1.571 12.465 54.263 1.00 0.00 +ATOM 2351 OD2 ASP A 147 1.203 12.482 56.414 1.00 0.00 +ATOM 2352 C ASP A 147 -1.350 14.664 55.557 1.00 0.00 +ATOM 2353 O ASP A 147 -1.828 15.367 56.454 1.00 0.00 +ATOM 2354 N ASN A 148 -1.915 13.533 55.183 1.00 0.00 +ATOM 2355 H ASN A 148 -1.670 13.165 54.275 1.00 0.00 +ATOM 2356 CA ASN A 148 -3.261 13.085 55.640 1.00 0.00 +ATOM 2357 HA ASN A 148 -4.097 13.709 55.325 1.00 0.00 +ATOM 2358 CB ASN A 148 -3.518 11.742 55.045 1.00 0.00 +ATOM 2359 HB2 ASN A 148 -4.414 11.404 55.564 1.00 0.00 +ATOM 2360 HB3 ASN A 148 -2.710 11.048 55.278 1.00 0.00 +ATOM 2361 CG ASN A 148 -3.733 11.769 53.500 1.00 0.00 +ATOM 2362 OD1 ASN A 148 -3.346 12.648 52.741 1.00 0.00 +ATOM 2363 ND2 ASN A 148 -4.139 10.658 52.930 1.00 0.00 +ATOM 2364 HD21 ASN A 148 -4.155 10.587 51.923 1.00 0.00 +ATOM 2365 HD22 ASN A 148 -4.381 9.838 53.469 1.00 0.00 +ATOM 2366 C ASN A 148 -3.456 13.044 57.181 1.00 0.00 +ATOM 2367 O ASN A 148 -4.447 13.611 57.731 1.00 0.00 +ATOM 2368 N GLU A 149 -2.502 12.440 57.895 1.00 0.00 +ATOM 2369 H GLU A 149 -1.761 11.995 57.374 1.00 0.00 +ATOM 2370 CA GLU A 149 -2.394 12.401 59.324 1.00 0.00 +ATOM 2371 HA GLU A 149 -3.369 12.157 59.747 1.00 0.00 +ATOM 2372 CB GLU A 149 -1.329 11.320 59.779 1.00 0.00 +ATOM 2373 HB2 GLU A 149 -0.357 11.697 59.461 1.00 0.00 +ATOM 2374 HB3 GLU A 149 -1.426 11.232 60.862 1.00 0.00 +ATOM 2375 CG GLU A 149 -1.422 9.840 59.259 1.00 0.00 +ATOM 2376 HG2 GLU A 149 -1.206 9.749 58.194 1.00 0.00 +ATOM 2377 HG3 GLU A 149 -0.604 9.273 59.704 1.00 0.00 +ATOM 2378 CD GLU A 149 -2.823 9.297 59.532 1.00 0.00 +ATOM 2379 OE1 GLU A 149 -2.921 8.362 60.350 1.00 0.00 +ATOM 2380 OE2 GLU A 149 -3.856 9.668 58.948 1.00 0.00 +ATOM 2381 C GLU A 149 -2.003 13.725 59.939 1.00 0.00 +ATOM 2382 O GLU A 149 -2.489 14.046 61.031 1.00 0.00 +ATOM 2383 N TYR A 150 -1.071 14.509 59.340 1.00 0.00 +ATOM 2384 H TYR A 150 -0.681 14.219 58.454 1.00 0.00 +ATOM 2385 CA TYR A 150 -0.638 15.833 59.840 1.00 0.00 +ATOM 2386 HA TYR A 150 -0.197 15.779 60.835 1.00 0.00 +ATOM 2387 CB TYR A 150 0.565 16.198 58.926 1.00 0.00 +ATOM 2388 HB2 TYR A 150 0.279 16.458 57.907 1.00 0.00 +ATOM 2389 HB3 TYR A 150 1.224 15.332 58.974 1.00 0.00 +ATOM 2390 CG TYR A 150 1.423 17.325 59.510 1.00 0.00 +ATOM 2391 CD1 TYR A 150 0.819 18.613 59.580 1.00 0.00 +ATOM 2392 HD1 TYR A 150 -0.127 18.792 59.090 1.00 0.00 +ATOM 2393 CD2 TYR A 150 2.685 17.030 60.040 1.00 0.00 +ATOM 2394 HD2 TYR A 150 3.071 16.024 60.110 1.00 0.00 +ATOM 2395 CE1 TYR A 150 1.582 19.692 60.138 1.00 0.00 +ATOM 2396 HE1 TYR A 150 1.198 20.697 60.225 1.00 0.00 +ATOM 2397 CE2 TYR A 150 3.487 18.165 60.502 1.00 0.00 +ATOM 2398 HE2 TYR A 150 4.489 18.021 60.877 1.00 0.00 +ATOM 2399 CZ TYR A 150 2.926 19.431 60.524 1.00 0.00 +ATOM 2400 OH TYR A 150 3.661 20.530 60.907 1.00 0.00 +ATOM 2401 HH TYR A 150 3.160 21.349 60.895 1.00 0.00 +ATOM 2402 C TYR A 150 -1.810 16.848 59.896 1.00 0.00 +ATOM 2403 O TYR A 150 -2.106 17.634 60.762 1.00 0.00 +ATOM 2404 N THR A 151 -2.667 16.776 58.890 1.00 0.00 +ATOM 2405 H THR A 151 -2.341 16.167 58.153 1.00 0.00 +ATOM 2406 CA THR A 151 -3.886 17.637 58.646 1.00 0.00 +ATOM 2407 HA THR A 151 -3.645 18.679 58.859 1.00 0.00 +ATOM 2408 CB THR A 151 -4.330 17.692 57.190 1.00 0.00 +ATOM 2409 HB THR A 151 -4.815 16.743 56.960 1.00 0.00 +ATOM 2410 OG1 THR A 151 -3.388 17.875 56.297 1.00 0.00 +ATOM 2411 HG1 THR A 151 -2.794 17.127 56.394 1.00 0.00 +ATOM 2412 CG2 THR A 151 -5.466 18.739 57.027 1.00 0.00 +ATOM 2413 HG21 THR A 151 -5.739 18.795 55.973 1.00 0.00 +ATOM 2414 HG22 THR A 151 -5.063 19.675 57.414 1.00 0.00 +ATOM 2415 HG23 THR A 151 -6.403 18.509 57.534 1.00 0.00 +ATOM 2416 C THR A 151 -5.073 17.227 59.554 1.00 0.00 +ATOM 2417 O THR A 151 -5.779 18.037 60.185 1.00 0.00 +ATOM 2418 N ALA A 152 -5.222 15.838 59.761 1.00 0.00 +ATOM 2419 H ALA A 152 -4.553 15.279 59.252 1.00 0.00 +ATOM 2420 CA ALA A 152 -6.067 15.272 60.820 1.00 0.00 +ATOM 2421 HA ALA A 152 -6.950 15.908 60.756 1.00 0.00 +ATOM 2422 CB ALA A 152 -6.371 13.734 60.631 1.00 0.00 +ATOM 2423 HB1 ALA A 152 -5.396 13.247 60.650 1.00 0.00 +ATOM 2424 HB2 ALA A 152 -6.965 13.303 61.438 1.00 0.00 +ATOM 2425 HB3 ALA A 152 -6.915 13.584 59.699 1.00 0.00 +ATOM 2426 C ALA A 152 -5.479 15.562 62.232 1.00 0.00 +ATOM 2427 O ALA A 152 -6.246 15.351 63.211 1.00 0.00 +ATOM 2428 N ARG A 153 -4.323 16.239 62.218 1.00 0.00 +ATOM 2429 H ARG A 153 -3.750 16.172 61.389 1.00 0.00 +ATOM 2430 CA ARG A 153 -3.592 16.644 63.438 1.00 0.00 +ATOM 2431 HA ARG A 153 -2.654 17.159 63.235 1.00 0.00 +ATOM 2432 CB ARG A 153 -4.431 17.804 64.121 1.00 0.00 +ATOM 2433 HB2 ARG A 153 -5.494 17.565 64.155 1.00 0.00 +ATOM 2434 HB3 ARG A 153 -4.131 18.015 65.147 1.00 0.00 +ATOM 2435 CG ARG A 153 -4.151 19.171 63.393 1.00 0.00 +ATOM 2436 HG2 ARG A 153 -3.107 19.476 63.466 1.00 0.00 +ATOM 2437 HG3 ARG A 153 -4.415 19.085 62.339 1.00 0.00 +ATOM 2438 CD ARG A 153 -5.017 20.346 63.992 1.00 0.00 +ATOM 2439 HD2 ARG A 153 -4.618 21.277 63.590 1.00 0.00 +ATOM 2440 HD3 ARG A 153 -4.810 20.329 65.062 1.00 0.00 +ATOM 2441 NE ARG A 153 -6.452 20.189 63.559 1.00 0.00 +ATOM 2442 HE ARG A 153 -6.631 20.355 62.579 1.00 0.00 +ATOM 2443 CZ ARG A 153 -7.555 19.995 64.274 1.00 0.00 +ATOM 2444 NH1 ARG A 153 -7.606 19.856 65.590 1.00 0.00 +ATOM 2445 HH11 ARG A 153 -8.538 19.882 65.978 1.00 0.00 +ATOM 2446 HH12 ARG A 153 -6.766 20.027 66.123 1.00 0.00 +ATOM 2447 NH2 ARG A 153 -8.665 19.888 63.563 1.00 0.00 +ATOM 2448 HH21 ARG A 153 -9.461 19.464 64.019 1.00 0.00 +ATOM 2449 HH22 ARG A 153 -8.578 19.955 62.559 1.00 0.00 +ATOM 2450 C ARG A 153 -3.223 15.521 64.387 1.00 0.00 +ATOM 2451 O ARG A 153 -3.277 15.695 65.574 1.00 0.00 +ATOM 2452 N GLN A 154 -2.957 14.347 63.788 1.00 0.00 +ATOM 2453 H GLN A 154 -2.715 14.398 62.808 1.00 0.00 +ATOM 2454 CA GLN A 154 -3.138 13.050 64.396 1.00 0.00 +ATOM 2455 HA GLN A 154 -3.281 13.211 65.464 1.00 0.00 +ATOM 2456 CB GLN A 154 -4.496 12.459 63.946 1.00 0.00 +ATOM 2457 HB2 GLN A 154 -4.535 12.233 62.880 1.00 0.00 +ATOM 2458 HB3 GLN A 154 -5.272 13.154 64.266 1.00 0.00 +ATOM 2459 CG GLN A 154 -4.947 11.148 64.647 1.00 0.00 +ATOM 2460 HG2 GLN A 154 -5.065 11.318 65.717 1.00 0.00 +ATOM 2461 HG3 GLN A 154 -4.219 10.341 64.577 1.00 0.00 +ATOM 2462 CD GLN A 154 -6.344 10.721 64.213 1.00 0.00 +ATOM 2463 OE1 GLN A 154 -7.169 11.506 63.691 1.00 0.00 +ATOM 2464 NE2 GLN A 154 -6.673 9.399 64.364 1.00 0.00 +ATOM 2465 HE21 GLN A 154 -6.120 8.728 64.877 1.00 0.00 +ATOM 2466 HE22 GLN A 154 -7.577 9.156 63.986 1.00 0.00 +ATOM 2467 C GLN A 154 -1.980 12.142 64.093 1.00 0.00 +ATOM 2468 O GLN A 154 -1.254 12.467 63.193 1.00 0.00 +ATOM 2469 N GLY A 155 -1.674 11.087 64.871 1.00 0.00 +ATOM 2470 H GLY A 155 -2.286 10.811 65.625 1.00 0.00 +ATOM 2471 CA GLY A 155 -0.657 10.036 64.495 1.00 0.00 +ATOM 2472 HA2 GLY A 155 -1.006 9.067 64.850 1.00 0.00 +ATOM 2473 HA3 GLY A 155 -0.704 9.944 63.409 1.00 0.00 +ATOM 2474 C GLY A 155 0.778 10.231 64.993 1.00 0.00 +ATOM 2475 O GLY A 155 1.086 10.845 65.971 1.00 0.00 +ATOM 2476 N ALA A 156 1.705 9.518 64.301 1.00 0.00 +ATOM 2477 H ALA A 156 1.448 8.916 63.532 1.00 0.00 +ATOM 2478 CA ALA A 156 3.094 9.624 64.574 1.00 0.00 +ATOM 2479 HA ALA A 156 3.303 9.755 65.635 1.00 0.00 +ATOM 2480 CB ALA A 156 3.729 8.265 64.161 1.00 0.00 +ATOM 2481 HB1 ALA A 156 3.646 8.106 63.085 1.00 0.00 +ATOM 2482 HB2 ALA A 156 3.174 7.432 64.592 1.00 0.00 +ATOM 2483 HB3 ALA A 156 4.804 8.217 64.334 1.00 0.00 +ATOM 2484 C ALA A 156 3.889 10.798 63.866 1.00 0.00 +ATOM 2485 O ALA A 156 5.067 10.965 64.175 1.00 0.00 +ATOM 2486 N LYS A 157 3.160 11.554 63.028 1.00 0.00 +ATOM 2487 H LYS A 157 2.271 11.153 62.766 1.00 0.00 +ATOM 2488 CA LYS A 157 3.787 12.654 62.142 1.00 0.00 +ATOM 2489 HA LYS A 157 4.870 12.596 62.034 1.00 0.00 +ATOM 2490 CB LYS A 157 3.266 12.564 60.743 1.00 0.00 +ATOM 2491 HB2 LYS A 157 3.831 13.309 60.183 1.00 0.00 +ATOM 2492 HB3 LYS A 157 2.243 12.939 60.774 1.00 0.00 +ATOM 2493 CG LYS A 157 3.414 11.108 60.118 1.00 0.00 +ATOM 2494 HG2 LYS A 157 4.470 10.841 60.163 1.00 0.00 +ATOM 2495 HG3 LYS A 157 2.728 10.365 60.524 1.00 0.00 +ATOM 2496 CD LYS A 157 3.033 11.285 58.682 1.00 0.00 +ATOM 2497 HD2 LYS A 157 1.978 11.559 58.684 1.00 0.00 +ATOM 2498 HD3 LYS A 157 3.650 12.090 58.284 1.00 0.00 +ATOM 2499 CE LYS A 157 3.543 10.010 57.972 1.00 0.00 +ATOM 2500 HE2 LYS A 157 4.613 9.809 57.914 1.00 0.00 +ATOM 2501 HE3 LYS A 157 3.169 9.094 58.429 1.00 0.00 +ATOM 2502 NZ LYS A 157 3.029 9.859 56.621 1.00 0.00 +ATOM 2503 HZ1 LYS A 157 2.027 9.737 56.633 1.00 0.00 +ATOM 2504 HZ2 LYS A 157 3.471 9.136 56.072 1.00 0.00 +ATOM 2505 HZ3 LYS A 157 3.141 10.674 56.034 1.00 0.00 +ATOM 2506 C LYS A 157 3.549 14.079 62.787 1.00 0.00 +ATOM 2507 O LYS A 157 4.228 15.006 62.426 1.00 0.00 +ATOM 2508 N PHE A 158 2.591 14.189 63.662 1.00 0.00 +ATOM 2509 H PHE A 158 2.000 13.398 63.871 1.00 0.00 +ATOM 2510 CA PHE A 158 2.152 15.521 64.111 1.00 0.00 +ATOM 2511 HA PHE A 158 2.421 16.175 63.281 1.00 0.00 +ATOM 2512 CB PHE A 158 0.621 15.487 64.219 1.00 0.00 +ATOM 2513 HB2 PHE A 158 0.196 15.159 63.270 1.00 0.00 +ATOM 2514 HB3 PHE A 158 0.270 14.868 65.044 1.00 0.00 +ATOM 2515 CG PHE A 158 0.029 16.904 64.336 1.00 0.00 +ATOM 2516 CD1 PHE A 158 0.115 17.821 63.281 1.00 0.00 +ATOM 2517 HD1 PHE A 158 0.391 17.538 62.276 1.00 0.00 +ATOM 2518 CD2 PHE A 158 -0.458 17.341 65.568 1.00 0.00 +ATOM 2519 HD2 PHE A 158 -0.550 16.624 66.370 1.00 0.00 +ATOM 2520 CE1 PHE A 158 -0.329 19.190 63.525 1.00 0.00 +ATOM 2521 HE1 PHE A 158 -0.215 19.952 62.768 1.00 0.00 +ATOM 2522 CE2 PHE A 158 -0.863 18.672 65.747 1.00 0.00 +ATOM 2523 HE2 PHE A 158 -1.255 18.990 66.701 1.00 0.00 +ATOM 2524 CZ PHE A 158 -0.761 19.655 64.741 1.00 0.00 +ATOM 2525 HZ PHE A 158 -0.833 20.707 64.975 1.00 0.00 +ATOM 2526 C PHE A 158 2.814 15.951 65.473 1.00 0.00 +ATOM 2527 O PHE A 158 3.053 15.093 66.280 1.00 0.00 +ATOM 2528 N PRO A 159 2.979 17.266 65.741 1.00 0.00 +ATOM 2529 CA PRO A 159 3.771 17.763 66.889 1.00 0.00 +ATOM 2530 HA PRO A 159 4.579 17.031 66.873 1.00 0.00 +ATOM 2531 CD PRO A 159 2.972 18.325 64.816 1.00 0.00 +ATOM 2532 HD2 PRO A 159 2.891 17.914 63.809 1.00 0.00 +ATOM 2533 HD3 PRO A 159 2.034 18.861 64.962 1.00 0.00 +ATOM 2534 CB PRO A 159 4.380 19.100 66.511 1.00 0.00 +ATOM 2535 HB2 PRO A 159 3.756 19.886 66.937 1.00 0.00 +ATOM 2536 HB3 PRO A 159 5.426 19.054 66.813 1.00 0.00 +ATOM 2537 CG PRO A 159 4.228 19.130 65.017 1.00 0.00 +ATOM 2538 HG2 PRO A 159 5.134 18.700 64.590 1.00 0.00 +ATOM 2539 HG3 PRO A 159 4.093 20.111 64.563 1.00 0.00 +ATOM 2540 C PRO A 159 3.084 17.702 68.216 1.00 0.00 +ATOM 2541 O PRO A 159 3.489 18.470 69.128 1.00 0.00 +ATOM 2542 N ILE A 160 2.090 16.817 68.437 1.00 0.00 +ATOM 2543 H ILE A 160 2.025 16.055 67.777 1.00 0.00 +ATOM 2544 CA ILE A 160 1.253 16.679 69.646 1.00 0.00 +ATOM 2545 HA ILE A 160 0.734 17.635 69.727 1.00 0.00 +ATOM 2546 CB ILE A 160 0.250 15.547 69.314 1.00 0.00 +ATOM 2547 HB ILE A 160 -0.201 15.625 68.325 1.00 0.00 +ATOM 2548 CG1 ILE A 160 -0.949 15.577 70.342 1.00 0.00 +ATOM 2549 HG12 ILE A 160 -1.527 14.653 70.353 1.00 0.00 +ATOM 2550 HG13 ILE A 160 -0.532 15.726 71.338 1.00 0.00 +ATOM 2551 CG2 ILE A 160 0.818 14.210 69.409 1.00 0.00 +ATOM 2552 HG21 ILE A 160 1.771 13.963 68.942 1.00 0.00 +ATOM 2553 HG22 ILE A 160 0.783 13.886 70.449 1.00 0.00 +ATOM 2554 HG23 ILE A 160 0.103 13.589 68.869 1.00 0.00 +ATOM 2555 CD1 ILE A 160 -1.968 16.707 69.997 1.00 0.00 +ATOM 2556 HD11 ILE A 160 -2.516 16.448 69.091 1.00 0.00 +ATOM 2557 HD12 ILE A 160 -1.389 17.627 69.908 1.00 0.00 +ATOM 2558 HD13 ILE A 160 -2.695 16.874 70.791 1.00 0.00 +ATOM 2559 C ILE A 160 2.100 16.503 70.923 1.00 0.00 +ATOM 2560 O ILE A 160 1.576 16.922 71.943 1.00 0.00 +ATOM 2561 N LYS A 161 3.324 15.985 70.922 1.00 0.00 +ATOM 2562 H LYS A 161 3.775 15.869 70.025 1.00 0.00 +ATOM 2563 CA LYS A 161 4.134 15.862 72.167 1.00 0.00 +ATOM 2564 HA LYS A 161 3.430 15.794 72.997 1.00 0.00 +ATOM 2565 CB LYS A 161 5.097 14.692 72.139 1.00 0.00 +ATOM 2566 HB2 LYS A 161 5.801 14.872 71.326 1.00 0.00 +ATOM 2567 HB3 LYS A 161 5.613 14.578 73.092 1.00 0.00 +ATOM 2568 CG LYS A 161 4.388 13.323 71.828 1.00 0.00 +ATOM 2569 HG2 LYS A 161 4.077 13.228 70.788 1.00 0.00 +ATOM 2570 HG3 LYS A 161 3.489 13.268 72.442 1.00 0.00 +ATOM 2571 CD LYS A 161 5.238 12.231 72.419 1.00 0.00 +ATOM 2572 HD2 LYS A 161 5.525 12.319 73.467 1.00 0.00 +ATOM 2573 HD3 LYS A 161 4.552 11.384 72.407 1.00 0.00 +ATOM 2574 CE LYS A 161 6.530 11.723 71.685 1.00 0.00 +ATOM 2575 HE2 LYS A 161 6.291 11.738 70.622 1.00 0.00 +ATOM 2576 HE3 LYS A 161 7.365 12.409 71.825 1.00 0.00 +ATOM 2577 NZ LYS A 161 6.939 10.415 72.277 1.00 0.00 +ATOM 2578 HZ1 LYS A 161 7.169 10.442 73.260 1.00 0.00 +ATOM 2579 HZ2 LYS A 161 6.226 9.730 72.069 1.00 0.00 +ATOM 2580 HZ3 LYS A 161 7.800 10.134 71.831 1.00 0.00 +ATOM 2581 C LYS A 161 4.901 17.155 72.516 1.00 0.00 +ATOM 2582 O LYS A 161 5.560 17.240 73.512 1.00 0.00 +ATOM 2583 N TRP A 162 4.845 18.108 71.600 1.00 0.00 +ATOM 2584 H TRP A 162 4.259 18.034 70.782 1.00 0.00 +ATOM 2585 CA TRP A 162 5.717 19.276 71.632 1.00 0.00 +ATOM 2586 HA TRP A 162 6.399 19.280 72.483 1.00 0.00 +ATOM 2587 CB TRP A 162 6.544 19.002 70.359 1.00 0.00 +ATOM 2588 HB2 TRP A 162 7.227 19.847 70.275 1.00 0.00 +ATOM 2589 HB3 TRP A 162 5.888 18.716 69.537 1.00 0.00 +ATOM 2590 CG TRP A 162 7.503 17.862 70.353 1.00 0.00 +ATOM 2591 CD2 TRP A 162 7.412 16.501 69.767 1.00 0.00 +ATOM 2592 CD1 TRP A 162 8.658 17.901 71.046 1.00 0.00 +ATOM 2593 HD1 TRP A 162 8.899 18.792 71.608 1.00 0.00 +ATOM 2594 NE1 TRP A 162 9.375 16.770 70.783 1.00 0.00 +ATOM 2595 HE1 TRP A 162 10.293 16.592 71.165 1.00 0.00 +ATOM 2596 CE2 TRP A 162 8.665 15.867 70.014 1.00 0.00 +ATOM 2597 CE3 TRP A 162 6.470 15.851 68.958 1.00 0.00 +ATOM 2598 HE3 TRP A 162 5.552 16.399 68.804 1.00 0.00 +ATOM 2599 CZ2 TRP A 162 8.826 14.527 69.663 1.00 0.00 +ATOM 2600 HZ2 TRP A 162 9.720 13.973 69.907 1.00 0.00 +ATOM 2601 CZ3 TRP A 162 6.699 14.512 68.521 1.00 0.00 +ATOM 2602 HZ3 TRP A 162 5.921 14.026 67.949 1.00 0.00 +ATOM 2603 CH2 TRP A 162 7.878 13.848 68.885 1.00 0.00 +ATOM 2604 HH2 TRP A 162 7.935 12.828 68.536 1.00 0.00 +ATOM 2605 C TRP A 162 4.849 20.549 71.554 1.00 0.00 +ATOM 2606 O TRP A 162 5.350 21.610 71.361 1.00 0.00 +ATOM 2607 N THR A 163 3.514 20.373 71.714 1.00 0.00 +ATOM 2608 H THR A 163 3.200 19.466 72.027 1.00 0.00 +ATOM 2609 CA THR A 163 2.520 21.429 71.667 1.00 0.00 +ATOM 2610 HA THR A 163 3.015 22.388 71.824 1.00 0.00 +ATOM 2611 CB THR A 163 1.653 21.421 70.394 1.00 0.00 +ATOM 2612 HB THR A 163 0.717 21.978 70.411 1.00 0.00 +ATOM 2613 OG1 THR A 163 1.254 20.119 70.075 1.00 0.00 +ATOM 2614 HG1 THR A 163 2.021 19.640 69.754 1.00 0.00 +ATOM 2615 CG2 THR A 163 2.542 21.928 69.244 1.00 0.00 +ATOM 2616 HG21 THR A 163 3.265 21.158 68.973 1.00 0.00 +ATOM 2617 HG22 THR A 163 3.014 22.871 69.517 1.00 0.00 +ATOM 2618 HG23 THR A 163 1.950 22.146 68.355 1.00 0.00 +ATOM 2619 C THR A 163 1.452 21.282 72.776 1.00 0.00 +ATOM 2620 O THR A 163 1.201 20.180 73.276 1.00 0.00 +ATOM 2621 N ALA A 164 0.820 22.402 73.071 1.00 0.00 +ATOM 2622 H ALA A 164 1.067 23.172 72.465 1.00 0.00 +ATOM 2623 CA ALA A 164 -0.223 22.448 74.070 1.00 0.00 +ATOM 2624 HA ALA A 164 0.119 21.836 74.904 1.00 0.00 +ATOM 2625 CB ALA A 164 -0.347 23.903 74.523 1.00 0.00 +ATOM 2626 HB1 ALA A 164 0.626 24.392 74.577 1.00 0.00 +ATOM 2627 HB2 ALA A 164 -0.842 24.052 75.482 1.00 0.00 +ATOM 2628 HB3 ALA A 164 -0.980 24.451 73.825 1.00 0.00 +ATOM 2629 C ALA A 164 -1.524 21.762 73.609 1.00 0.00 +ATOM 2630 O ALA A 164 -1.661 21.699 72.348 1.00 0.00 +ATOM 2631 N PRO A 165 -2.309 21.210 74.534 1.00 0.00 +ATOM 2632 CA PRO A 165 -3.399 20.334 74.162 1.00 0.00 +ATOM 2633 HA PRO A 165 -3.126 19.643 73.365 1.00 0.00 +ATOM 2634 CD PRO A 165 -2.090 21.117 75.989 1.00 0.00 +ATOM 2635 HD2 PRO A 165 -1.982 22.054 76.536 1.00 0.00 +ATOM 2636 HD3 PRO A 165 -1.248 20.433 76.096 1.00 0.00 +ATOM 2637 CB PRO A 165 -3.634 19.490 75.393 1.00 0.00 +ATOM 2638 HB2 PRO A 165 -3.052 18.568 75.414 1.00 0.00 +ATOM 2639 HB3 PRO A 165 -4.684 19.197 75.409 1.00 0.00 +ATOM 2640 CG PRO A 165 -3.293 20.365 76.594 1.00 0.00 +ATOM 2641 HG2 PRO A 165 -4.170 20.981 76.797 1.00 0.00 +ATOM 2642 HG3 PRO A 165 -2.942 19.754 77.426 1.00 0.00 +ATOM 2643 C PRO A 165 -4.654 20.974 73.671 1.00 0.00 +ATOM 2644 O PRO A 165 -5.234 20.574 72.719 1.00 0.00 +ATOM 2645 N GLU A 166 -5.130 22.165 74.164 1.00 0.00 +ATOM 2646 H GLU A 166 -4.619 22.654 74.885 1.00 0.00 +ATOM 2647 CA GLU A 166 -6.388 22.777 73.583 1.00 0.00 +ATOM 2648 HA GLU A 166 -7.095 22.001 73.288 1.00 0.00 +ATOM 2649 CB GLU A 166 -6.917 23.826 74.617 1.00 0.00 +ATOM 2650 HB2 GLU A 166 -7.049 23.274 75.548 1.00 0.00 +ATOM 2651 HB3 GLU A 166 -7.874 24.174 74.229 1.00 0.00 +ATOM 2652 CG GLU A 166 -6.168 25.122 74.767 1.00 0.00 +ATOM 2653 HG2 GLU A 166 -6.787 25.581 75.538 1.00 0.00 +ATOM 2654 HG3 GLU A 166 -6.322 25.673 73.839 1.00 0.00 +ATOM 2655 CD GLU A 166 -4.743 24.988 75.211 1.00 0.00 +ATOM 2656 OE1 GLU A 166 -4.502 24.886 76.443 1.00 0.00 +ATOM 2657 OE2 GLU A 166 -3.812 24.941 74.370 1.00 0.00 +ATOM 2658 C GLU A 166 -6.047 23.386 72.206 1.00 0.00 +ATOM 2659 O GLU A 166 -6.775 23.349 71.214 1.00 0.00 +ATOM 2660 N ALA A 167 -4.827 23.799 72.055 1.00 0.00 +ATOM 2661 H ALA A 167 -4.271 23.907 72.892 1.00 0.00 +ATOM 2662 CA ALA A 167 -4.261 24.293 70.764 1.00 0.00 +ATOM 2663 HA ALA A 167 -4.883 25.068 70.314 1.00 0.00 +ATOM 2664 CB ALA A 167 -2.916 24.989 71.180 1.00 0.00 +ATOM 2665 HB1 ALA A 167 -2.302 25.260 70.321 1.00 0.00 +ATOM 2666 HB2 ALA A 167 -2.330 24.338 71.829 1.00 0.00 +ATOM 2667 HB3 ALA A 167 -3.216 25.882 71.729 1.00 0.00 +ATOM 2668 C ALA A 167 -4.125 23.225 69.678 1.00 0.00 +ATOM 2669 O ALA A 167 -4.596 23.476 68.585 1.00 0.00 +ATOM 2670 N ALA A 168 -3.579 21.991 69.937 1.00 0.00 +ATOM 2671 H ALA A 168 -3.187 21.824 70.852 1.00 0.00 +ATOM 2672 CA ALA A 168 -3.736 20.845 69.021 1.00 0.00 +ATOM 2673 HA ALA A 168 -3.262 20.937 68.044 1.00 0.00 +ATOM 2674 CB ALA A 168 -2.812 19.733 69.653 1.00 0.00 +ATOM 2675 HB1 ALA A 168 -3.123 18.820 69.144 1.00 0.00 +ATOM 2676 HB2 ALA A 168 -1.739 19.920 69.613 1.00 0.00 +ATOM 2677 HB3 ALA A 168 -3.009 19.622 70.719 1.00 0.00 +ATOM 2678 C ALA A 168 -5.118 20.315 68.763 1.00 0.00 +ATOM 2679 O ALA A 168 -5.532 20.144 67.641 1.00 0.00 +ATOM 2680 N LEU A 169 -5.910 20.188 69.834 1.00 0.00 +ATOM 2681 H LEU A 169 -5.500 20.482 70.709 1.00 0.00 +ATOM 2682 CA LEU A 169 -7.321 19.716 69.847 1.00 0.00 +ATOM 2683 HA LEU A 169 -7.366 18.821 69.228 1.00 0.00 +ATOM 2684 CB LEU A 169 -7.875 19.383 71.262 1.00 0.00 +ATOM 2685 HB2 LEU A 169 -7.735 20.279 71.868 1.00 0.00 +ATOM 2686 HB3 LEU A 169 -8.933 19.154 71.129 1.00 0.00 +ATOM 2687 CG LEU A 169 -7.200 18.204 71.900 1.00 0.00 +ATOM 2688 HG LEU A 169 -6.114 18.304 71.901 1.00 0.00 +ATOM 2689 CD1 LEU A 169 -7.755 18.269 73.385 1.00 0.00 +ATOM 2690 HD11 LEU A 169 -8.834 18.128 73.337 1.00 0.00 +ATOM 2691 HD12 LEU A 169 -7.358 17.434 73.962 1.00 0.00 +ATOM 2692 HD13 LEU A 169 -7.459 19.201 73.868 1.00 0.00 +ATOM 2693 CD2 LEU A 169 -7.508 16.849 71.286 1.00 0.00 +ATOM 2694 HD21 LEU A 169 -6.829 16.576 70.478 1.00 0.00 +ATOM 2695 HD22 LEU A 169 -8.523 16.860 70.887 1.00 0.00 +ATOM 2696 HD23 LEU A 169 -7.477 16.004 71.974 1.00 0.00 +ATOM 2697 C LEU A 169 -8.240 20.639 69.077 1.00 0.00 +ATOM 2698 O LEU A 169 -9.082 20.142 68.321 1.00 0.00 +ATOM 2699 N TYR A 170 -8.115 21.967 69.143 1.00 0.00 +ATOM 2700 H TYR A 170 -7.336 22.354 69.656 1.00 0.00 +ATOM 2701 CA TYR A 170 -9.171 22.860 68.555 1.00 0.00 +ATOM 2702 HA TYR A 170 -9.891 22.283 67.975 1.00 0.00 +ATOM 2703 CB TYR A 170 -9.771 23.718 69.715 1.00 0.00 +ATOM 2704 HB2 TYR A 170 -9.065 24.529 69.892 1.00 0.00 +ATOM 2705 HB3 TYR A 170 -10.673 24.316 69.583 1.00 0.00 +ATOM 2706 CG TYR A 170 -10.128 22.911 70.978 1.00 0.00 +ATOM 2707 CD1 TYR A 170 -10.947 21.756 70.761 1.00 0.00 +ATOM 2708 HD1 TYR A 170 -11.288 21.425 69.792 1.00 0.00 +ATOM 2709 CD2 TYR A 170 -9.776 23.283 72.292 1.00 0.00 +ATOM 2710 HD2 TYR A 170 -9.178 24.161 72.485 1.00 0.00 +ATOM 2711 CE1 TYR A 170 -11.327 20.949 71.817 1.00 0.00 +ATOM 2712 HE1 TYR A 170 -11.983 20.117 71.610 1.00 0.00 +ATOM 2713 CE2 TYR A 170 -10.215 22.452 73.344 1.00 0.00 +ATOM 2714 HE2 TYR A 170 -9.817 22.616 74.335 1.00 0.00 +ATOM 2715 CZ TYR A 170 -10.959 21.240 73.134 1.00 0.00 +ATOM 2716 OH TYR A 170 -11.247 20.388 74.131 1.00 0.00 +ATOM 2717 HH TYR A 170 -11.877 19.765 73.761 1.00 0.00 +ATOM 2718 C TYR A 170 -8.647 23.757 67.436 1.00 0.00 +ATOM 2719 O TYR A 170 -9.255 24.747 67.033 1.00 0.00 +ATOM 2720 N GLY A 171 -7.409 23.569 66.910 1.00 0.00 +ATOM 2721 H GLY A 171 -6.877 22.750 67.169 1.00 0.00 +ATOM 2722 CA GLY A 171 -6.731 24.492 65.944 1.00 0.00 +ATOM 2723 HA2 GLY A 171 -7.340 24.406 65.045 1.00 0.00 +ATOM 2724 HA3 GLY A 171 -5.831 23.931 65.694 1.00 0.00 +ATOM 2725 C GLY A 171 -6.431 25.886 66.332 1.00 0.00 +ATOM 2726 O GLY A 171 -6.251 26.710 65.443 1.00 0.00 +ATOM 2727 N ARG A 172 -6.343 26.154 67.658 1.00 0.00 +ATOM 2728 H ARG A 172 -6.508 25.452 68.366 1.00 0.00 +ATOM 2729 CA ARG A 172 -6.221 27.557 68.254 1.00 0.00 +ATOM 2730 HA ARG A 172 -6.244 28.408 67.573 1.00 0.00 +ATOM 2731 CB ARG A 172 -7.455 27.849 69.201 1.00 0.00 +ATOM 2732 HB2 ARG A 172 -7.167 28.714 69.799 1.00 0.00 +ATOM 2733 HB3 ARG A 172 -7.627 26.982 69.839 1.00 0.00 +ATOM 2734 CG ARG A 172 -8.650 28.280 68.312 1.00 0.00 +ATOM 2735 HG2 ARG A 172 -9.082 27.405 67.826 1.00 0.00 +ATOM 2736 HG3 ARG A 172 -8.300 28.955 67.532 1.00 0.00 +ATOM 2737 CD ARG A 172 -9.818 28.915 69.168 1.00 0.00 +ATOM 2738 HD2 ARG A 172 -10.650 29.195 68.521 1.00 0.00 +ATOM 2739 HD3 ARG A 172 -9.554 29.922 69.488 1.00 0.00 +ATOM 2740 NE ARG A 172 -10.265 27.945 70.228 1.00 0.00 +ATOM 2741 HE ARG A 172 -10.733 27.195 69.740 1.00 0.00 +ATOM 2742 CZ ARG A 172 -10.068 28.014 71.531 1.00 0.00 +ATOM 2743 NH1 ARG A 172 -9.377 28.880 72.149 1.00 0.00 +ATOM 2744 HH11 ARG A 172 -9.021 29.739 71.754 1.00 0.00 +ATOM 2745 HH12 ARG A 172 -9.292 28.867 73.155 1.00 0.00 +ATOM 2746 NH2 ARG A 172 -10.491 27.075 72.273 1.00 0.00 +ATOM 2747 HH21 ARG A 172 -10.979 26.272 71.904 1.00 0.00 +ATOM 2748 HH22 ARG A 172 -10.505 27.310 73.256 1.00 0.00 +ATOM 2749 C ARG A 172 -4.911 27.751 68.880 1.00 0.00 +ATOM 2750 O ARG A 172 -4.730 27.802 70.105 1.00 0.00 +ATOM 2751 N PHE A 173 -3.857 27.792 68.061 1.00 0.00 +ATOM 2752 H PHE A 173 -4.015 27.618 67.078 1.00 0.00 +ATOM 2753 CA PHE A 173 -2.488 28.036 68.417 1.00 0.00 +ATOM 2754 HA PHE A 173 -2.268 27.532 69.358 1.00 0.00 +ATOM 2755 CB PHE A 173 -1.611 27.378 67.396 1.00 0.00 +ATOM 2756 HB2 PHE A 173 -1.744 27.860 66.428 1.00 0.00 +ATOM 2757 HB3 PHE A 173 -0.599 27.639 67.707 1.00 0.00 +ATOM 2758 CG PHE A 173 -1.701 25.925 67.269 1.00 0.00 +ATOM 2759 CD1 PHE A 173 -2.458 25.314 66.241 1.00 0.00 +ATOM 2760 HD1 PHE A 173 -3.078 25.905 65.583 1.00 0.00 +ATOM 2761 CD2 PHE A 173 -0.953 25.032 68.108 1.00 0.00 +ATOM 2762 HD2 PHE A 173 -0.310 25.394 68.897 1.00 0.00 +ATOM 2763 CE1 PHE A 173 -2.594 23.905 66.120 1.00 0.00 +ATOM 2764 HE1 PHE A 173 -3.241 23.475 65.370 1.00 0.00 +ATOM 2765 CE2 PHE A 173 -1.170 23.673 68.041 1.00 0.00 +ATOM 2766 HE2 PHE A 173 -0.816 23.022 68.826 1.00 0.00 +ATOM 2767 CZ PHE A 173 -1.812 23.039 66.996 1.00 0.00 +ATOM 2768 HZ PHE A 173 -1.847 21.962 66.917 1.00 0.00 +ATOM 2769 C PHE A 173 -2.147 29.557 68.568 1.00 0.00 +ATOM 2770 O PHE A 173 -2.534 30.418 67.814 1.00 0.00 +ATOM 2771 N THR A 174 -1.313 29.750 69.586 1.00 0.00 +ATOM 2772 H THR A 174 -1.021 28.986 70.179 1.00 0.00 +ATOM 2773 CA THR A 174 -0.956 31.070 70.004 1.00 0.00 +ATOM 2774 HA THR A 174 -0.977 31.769 69.168 1.00 0.00 +ATOM 2775 CB THR A 174 -1.979 31.504 71.069 1.00 0.00 +ATOM 2776 HB THR A 174 -2.853 31.960 70.604 1.00 0.00 +ATOM 2777 OG1 THR A 174 -1.452 32.539 71.897 1.00 0.00 +ATOM 2778 HG1 THR A 174 -2.176 33.129 72.121 1.00 0.00 +ATOM 2779 CG2 THR A 174 -2.380 30.397 72.109 1.00 0.00 +ATOM 2780 HG21 THR A 174 -2.990 29.700 71.535 1.00 0.00 +ATOM 2781 HG22 THR A 174 -3.032 30.839 72.863 1.00 0.00 +ATOM 2782 HG23 THR A 174 -1.599 29.902 72.686 1.00 0.00 +ATOM 2783 C THR A 174 0.467 31.158 70.556 1.00 0.00 +ATOM 2784 O THR A 174 1.179 30.136 70.696 1.00 0.00 +ATOM 2785 N ILE A 175 0.978 32.316 70.951 1.00 0.00 +ATOM 2786 H ILE A 175 0.394 33.130 70.823 1.00 0.00 +ATOM 2787 CA ILE A 175 2.164 32.461 71.800 1.00 0.00 +ATOM 2788 HA ILE A 175 3.019 32.215 71.170 1.00 0.00 +ATOM 2789 CB ILE A 175 2.397 33.928 72.213 1.00 0.00 +ATOM 2790 HB ILE A 175 1.544 34.181 72.844 1.00 0.00 +ATOM 2791 CG1 ILE A 175 2.250 34.971 71.034 1.00 0.00 +ATOM 2792 HG12 ILE A 175 2.332 35.961 71.483 1.00 0.00 +ATOM 2793 HG13 ILE A 175 1.261 34.890 70.582 1.00 0.00 +ATOM 2794 CG2 ILE A 175 3.719 34.104 73.042 1.00 0.00 +ATOM 2795 HG21 ILE A 175 3.726 35.046 73.590 1.00 0.00 +ATOM 2796 HG22 ILE A 175 4.627 34.138 72.440 1.00 0.00 +ATOM 2797 HG23 ILE A 175 3.965 33.332 73.771 1.00 0.00 +ATOM 2798 CD1 ILE A 175 3.367 34.997 70.010 1.00 0.00 +ATOM 2799 HD11 ILE A 175 4.319 35.207 70.499 1.00 0.00 +ATOM 2800 HD12 ILE A 175 3.467 34.031 69.514 1.00 0.00 +ATOM 2801 HD13 ILE A 175 3.267 35.823 69.306 1.00 0.00 +ATOM 2802 C ILE A 175 2.107 31.515 73.019 1.00 0.00 +ATOM 2803 O ILE A 175 3.010 30.774 73.397 1.00 0.00 +ATOM 2804 N LYS A 176 0.917 31.404 73.611 1.00 0.00 +ATOM 2805 H LYS A 176 0.100 31.870 73.244 1.00 0.00 +ATOM 2806 CA LYS A 176 0.686 30.565 74.785 1.00 0.00 +ATOM 2807 HA LYS A 176 1.539 30.671 75.455 1.00 0.00 +ATOM 2808 CB LYS A 176 -0.580 31.013 75.578 1.00 0.00 +ATOM 2809 HB2 LYS A 176 -1.477 30.526 75.196 1.00 0.00 +ATOM 2810 HB3 LYS A 176 -0.472 30.521 76.544 1.00 0.00 +ATOM 2811 CG LYS A 176 -0.928 32.499 75.756 1.00 0.00 +ATOM 2812 HG2 LYS A 176 -1.965 32.628 76.065 1.00 0.00 +ATOM 2813 HG3 LYS A 176 -0.915 32.962 74.769 1.00 0.00 +ATOM 2814 CD LYS A 176 -0.121 33.306 76.775 1.00 0.00 +ATOM 2815 HD2 LYS A 176 0.723 33.792 76.286 1.00 0.00 +ATOM 2816 HD3 LYS A 176 0.349 32.582 77.441 1.00 0.00 +ATOM 2817 CE LYS A 176 -0.963 34.378 77.592 1.00 0.00 +ATOM 2818 HE2 LYS A 176 -1.587 33.791 78.266 1.00 0.00 +ATOM 2819 HE3 LYS A 176 -0.247 34.936 78.195 1.00 0.00 +ATOM 2820 NZ LYS A 176 -1.798 35.374 76.843 1.00 0.00 +ATOM 2821 HZ1 LYS A 176 -2.449 34.885 76.245 1.00 0.00 +ATOM 2822 HZ2 LYS A 176 -1.204 35.966 76.281 1.00 0.00 +ATOM 2823 HZ3 LYS A 176 -2.329 35.946 77.484 1.00 0.00 +ATOM 2824 C LYS A 176 0.617 29.050 74.486 1.00 0.00 +ATOM 2825 O LYS A 176 0.320 28.258 75.341 1.00 0.00 +ATOM 2826 N SER A 177 0.934 28.574 73.265 1.00 0.00 +ATOM 2827 H SER A 177 0.958 29.210 72.480 1.00 0.00 +ATOM 2828 CA SER A 177 1.215 27.130 72.949 1.00 0.00 +ATOM 2829 HA SER A 177 1.056 26.532 73.846 1.00 0.00 +ATOM 2830 CB SER A 177 0.303 26.646 71.849 1.00 0.00 +ATOM 2831 HB2 SER A 177 -0.708 26.816 72.221 1.00 0.00 +ATOM 2832 HB3 SER A 177 0.555 25.658 71.465 1.00 0.00 +ATOM 2833 OG SER A 177 0.408 27.500 70.703 1.00 0.00 +ATOM 2834 HG SER A 177 1.107 27.229 70.104 1.00 0.00 +ATOM 2835 C SER A 177 2.697 26.871 72.570 1.00 0.00 +ATOM 2836 O SER A 177 3.303 25.917 72.992 1.00 0.00 +ATOM 2837 N ASP A 178 3.274 27.883 71.954 1.00 0.00 +ATOM 2838 H ASP A 178 2.645 28.558 71.543 1.00 0.00 +ATOM 2839 CA ASP A 178 4.719 28.080 71.674 1.00 0.00 +ATOM 2840 HA ASP A 178 5.215 27.218 71.228 1.00 0.00 +ATOM 2841 CB ASP A 178 5.032 29.212 70.648 1.00 0.00 +ATOM 2842 HB2 ASP A 178 4.884 30.225 71.023 1.00 0.00 +ATOM 2843 HB3 ASP A 178 6.103 29.055 70.518 1.00 0.00 +ATOM 2844 CG ASP A 178 4.386 29.141 69.312 1.00 0.00 +ATOM 2845 OD1 ASP A 178 3.911 28.002 68.906 1.00 0.00 +ATOM 2846 OD2 ASP A 178 4.501 30.062 68.481 1.00 0.00 +ATOM 2847 C ASP A 178 5.462 28.234 73.025 1.00 0.00 +ATOM 2848 O ASP A 178 6.578 27.666 73.152 1.00 0.00 +ATOM 2849 N VAL A 179 4.846 28.823 74.028 1.00 0.00 +ATOM 2850 H VAL A 179 3.902 29.167 73.928 1.00 0.00 +ATOM 2851 CA VAL A 179 5.461 28.863 75.377 1.00 0.00 +ATOM 2852 HA VAL A 179 6.438 29.330 75.259 1.00 0.00 +ATOM 2853 CB VAL A 179 4.686 29.845 76.371 1.00 0.00 +ATOM 2854 HB VAL A 179 3.612 29.663 76.417 1.00 0.00 +ATOM 2855 CG1 VAL A 179 5.137 29.605 77.807 1.00 0.00 +ATOM 2856 HG11 VAL A 179 4.603 30.318 78.436 1.00 0.00 +ATOM 2857 HG12 VAL A 179 5.021 28.596 78.203 1.00 0.00 +ATOM 2858 HG13 VAL A 179 6.191 29.761 78.036 1.00 0.00 +ATOM 2859 CG2 VAL A 179 4.763 31.333 76.005 1.00 0.00 +ATOM 2860 HG21 VAL A 179 4.852 31.484 74.929 1.00 0.00 +ATOM 2861 HG22 VAL A 179 4.021 31.949 76.513 1.00 0.00 +ATOM 2862 HG23 VAL A 179 5.775 31.668 76.235 1.00 0.00 +ATOM 2863 C VAL A 179 5.616 27.480 75.994 1.00 0.00 +ATOM 2864 O VAL A 179 6.637 27.128 76.593 1.00 0.00 +ATOM 2865 N TRP A 180 4.543 26.717 75.881 1.00 0.00 +ATOM 2866 H TRP A 180 3.655 27.073 75.556 1.00 0.00 +ATOM 2867 CA TRP A 180 4.484 25.222 76.252 1.00 0.00 +ATOM 2868 HA TRP A 180 4.682 25.194 77.323 1.00 0.00 +ATOM 2869 CB TRP A 180 3.016 24.752 76.097 1.00 0.00 +ATOM 2870 HB2 TRP A 180 2.590 24.870 75.101 1.00 0.00 +ATOM 2871 HB3 TRP A 180 2.360 25.360 76.719 1.00 0.00 +ATOM 2872 CG TRP A 180 2.699 23.319 76.555 1.00 0.00 +ATOM 2873 CD2 TRP A 180 1.567 22.934 77.357 1.00 0.00 +ATOM 2874 CD1 TRP A 180 3.301 22.122 76.191 1.00 0.00 +ATOM 2875 HD1 TRP A 180 4.188 21.989 75.590 1.00 0.00 +ATOM 2876 NE1 TRP A 180 2.630 21.076 76.810 1.00 0.00 +ATOM 2877 HE1 TRP A 180 2.714 20.079 76.674 1.00 0.00 +ATOM 2878 CE2 TRP A 180 1.533 21.507 77.474 1.00 0.00 +ATOM 2879 CE3 TRP A 180 0.571 23.730 77.993 1.00 0.00 +ATOM 2880 HE3 TRP A 180 0.590 24.786 77.768 1.00 0.00 +ATOM 2881 CZ2 TRP A 180 0.497 20.874 78.243 1.00 0.00 +ATOM 2882 HZ2 TRP A 180 0.450 19.798 78.319 1.00 0.00 +ATOM 2883 CZ3 TRP A 180 -0.530 23.080 78.622 1.00 0.00 +ATOM 2884 HZ3 TRP A 180 -1.434 23.636 78.825 1.00 0.00 +ATOM 2885 CH2 TRP A 180 -0.565 21.692 78.827 1.00 0.00 +ATOM 2886 HH2 TRP A 180 -1.473 21.261 79.221 1.00 0.00 +ATOM 2887 C TRP A 180 5.477 24.457 75.433 1.00 0.00 +ATOM 2888 O TRP A 180 6.203 23.647 75.983 1.00 0.00 +ATOM 2889 N SER A 181 5.659 24.792 74.107 1.00 0.00 +ATOM 2890 H SER A 181 5.021 25.441 73.670 1.00 0.00 +ATOM 2891 CA SER A 181 6.556 24.023 73.228 1.00 0.00 +ATOM 2892 HA SER A 181 6.354 22.977 73.458 1.00 0.00 +ATOM 2893 CB SER A 181 6.212 24.387 71.771 1.00 0.00 +ATOM 2894 HB2 SER A 181 5.147 24.185 71.663 1.00 0.00 +ATOM 2895 HB3 SER A 181 6.420 25.423 71.502 1.00 0.00 +ATOM 2896 OG SER A 181 6.989 23.518 71.002 1.00 0.00 +ATOM 2897 HG SER A 181 6.617 22.652 71.185 1.00 0.00 +ATOM 2898 C SER A 181 7.971 24.350 73.722 1.00 0.00 +ATOM 2899 O SER A 181 8.770 23.412 73.782 1.00 0.00 +ATOM 2900 N PHE A 182 8.263 25.535 74.218 1.00 0.00 +ATOM 2901 H PHE A 182 7.605 26.273 74.016 1.00 0.00 +ATOM 2902 CA PHE A 182 9.556 25.825 74.810 1.00 0.00 +ATOM 2903 HA PHE A 182 10.414 25.496 74.224 1.00 0.00 +ATOM 2904 CB PHE A 182 9.736 27.362 75.022 1.00 0.00 +ATOM 2905 HB2 PHE A 182 9.582 27.864 74.067 1.00 0.00 +ATOM 2906 HB3 PHE A 182 8.866 27.758 75.544 1.00 0.00 +ATOM 2907 CG PHE A 182 11.004 27.762 75.697 1.00 0.00 +ATOM 2908 CD1 PHE A 182 12.194 27.961 75.030 1.00 0.00 +ATOM 2909 HD1 PHE A 182 12.209 27.820 73.959 1.00 0.00 +ATOM 2910 CD2 PHE A 182 10.996 27.916 77.123 1.00 0.00 +ATOM 2911 HD2 PHE A 182 10.083 27.683 77.651 1.00 0.00 +ATOM 2912 CE1 PHE A 182 13.374 28.188 75.761 1.00 0.00 +ATOM 2913 HE1 PHE A 182 14.338 28.137 75.277 1.00 0.00 +ATOM 2914 CE2 PHE A 182 12.070 28.374 77.805 1.00 0.00 +ATOM 2915 HE2 PHE A 182 12.079 28.548 78.871 1.00 0.00 +ATOM 2916 CZ PHE A 182 13.301 28.477 77.110 1.00 0.00 +ATOM 2917 HZ PHE A 182 14.183 28.727 77.680 1.00 0.00 +ATOM 2918 C PHE A 182 9.673 25.201 76.207 1.00 0.00 +ATOM 2919 O PHE A 182 10.691 24.744 76.649 1.00 0.00 +ATOM 2920 N GLY A 183 8.511 24.988 76.847 1.00 0.00 +ATOM 2921 H GLY A 183 7.667 25.444 76.533 1.00 0.00 +ATOM 2922 CA GLY A 183 8.351 24.276 78.150 1.00 0.00 +ATOM 2923 HA2 GLY A 183 7.347 24.437 78.541 1.00 0.00 +ATOM 2924 HA3 GLY A 183 9.062 24.751 78.826 1.00 0.00 +ATOM 2925 C GLY A 183 8.631 22.799 78.008 1.00 0.00 +ATOM 2926 O GLY A 183 9.188 22.221 78.979 1.00 0.00 +ATOM 2927 N ILE A 184 8.511 22.303 76.831 1.00 0.00 +ATOM 2928 H ILE A 184 8.225 22.984 76.141 1.00 0.00 +ATOM 2929 CA ILE A 184 8.927 20.927 76.457 1.00 0.00 +ATOM 2930 HA ILE A 184 8.631 20.264 77.270 1.00 0.00 +ATOM 2931 CB ILE A 184 8.060 20.373 75.257 1.00 0.00 +ATOM 2932 HB ILE A 184 8.100 21.124 74.468 1.00 0.00 +ATOM 2933 CG1 ILE A 184 6.570 20.299 75.675 1.00 0.00 +ATOM 2934 HG12 ILE A 184 6.012 20.158 74.749 1.00 0.00 +ATOM 2935 HG13 ILE A 184 6.223 21.214 76.156 1.00 0.00 +ATOM 2936 CG2 ILE A 184 8.651 19.063 74.695 1.00 0.00 +ATOM 2937 HG21 ILE A 184 7.911 18.652 74.008 1.00 0.00 +ATOM 2938 HG22 ILE A 184 9.601 19.409 74.288 1.00 0.00 +ATOM 2939 HG23 ILE A 184 8.850 18.326 75.473 1.00 0.00 +ATOM 2940 CD1 ILE A 184 6.221 19.190 76.662 1.00 0.00 +ATOM 2941 HD11 ILE A 184 6.613 19.436 77.649 1.00 0.00 +ATOM 2942 HD12 ILE A 184 5.148 19.148 76.850 1.00 0.00 +ATOM 2943 HD13 ILE A 184 6.527 18.204 76.315 1.00 0.00 +ATOM 2944 C ILE A 184 10.412 20.981 76.138 1.00 0.00 +ATOM 2945 O ILE A 184 11.124 20.180 76.796 1.00 0.00 +ATOM 2946 N LEU A 185 10.896 21.953 75.493 1.00 0.00 +ATOM 2947 H LEU A 185 10.269 22.567 74.993 1.00 0.00 +ATOM 2948 CA LEU A 185 12.373 22.000 75.210 1.00 0.00 +ATOM 2949 HA LEU A 185 12.768 21.188 74.600 1.00 0.00 +ATOM 2950 CB LEU A 185 12.554 23.098 74.167 1.00 0.00 +ATOM 2951 HB2 LEU A 185 12.119 22.723 73.241 1.00 0.00 +ATOM 2952 HB3 LEU A 185 11.957 23.951 74.488 1.00 0.00 +ATOM 2953 CG LEU A 185 14.061 23.503 73.855 1.00 0.00 +ATOM 2954 HG LEU A 185 14.719 22.639 73.956 1.00 0.00 +ATOM 2955 CD1 LEU A 185 14.154 23.921 72.412 1.00 0.00 +ATOM 2956 HD11 LEU A 185 15.173 24.225 72.174 1.00 0.00 +ATOM 2957 HD12 LEU A 185 13.885 23.085 71.767 1.00 0.00 +ATOM 2958 HD13 LEU A 185 13.390 24.685 72.266 1.00 0.00 +ATOM 2959 CD2 LEU A 185 14.519 24.654 74.749 1.00 0.00 +ATOM 2960 HD21 LEU A 185 13.990 25.564 74.466 1.00 0.00 +ATOM 2961 HD22 LEU A 185 15.567 24.866 74.542 1.00 0.00 +ATOM 2962 HD23 LEU A 185 14.470 24.433 75.815 1.00 0.00 +ATOM 2963 C LEU A 185 13.246 22.107 76.494 1.00 0.00 +ATOM 2964 O LEU A 185 14.392 21.763 76.446 1.00 0.00 +ATOM 2965 N LEU A 186 12.689 22.537 77.609 1.00 0.00 +ATOM 2966 H LEU A 186 11.778 22.972 77.595 1.00 0.00 +ATOM 2967 CA LEU A 186 13.405 22.592 78.887 1.00 0.00 +ATOM 2968 HA LEU A 186 14.365 23.097 78.788 1.00 0.00 +ATOM 2969 CB LEU A 186 12.610 23.526 79.834 1.00 0.00 +ATOM 2970 HB2 LEU A 186 13.149 23.364 80.767 1.00 0.00 +ATOM 2971 HB3 LEU A 186 11.630 23.054 79.901 1.00 0.00 +ATOM 2972 CG LEU A 186 12.621 25.030 79.579 1.00 0.00 +ATOM 2973 HG LEU A 186 12.036 25.260 78.688 1.00 0.00 +ATOM 2974 CD1 LEU A 186 11.940 25.657 80.801 1.00 0.00 +ATOM 2975 HD11 LEU A 186 10.933 25.243 80.854 1.00 0.00 +ATOM 2976 HD12 LEU A 186 11.921 26.740 80.682 1.00 0.00 +ATOM 2977 HD13 LEU A 186 12.558 25.317 81.632 1.00 0.00 +ATOM 2978 CD2 LEU A 186 14.000 25.704 79.532 1.00 0.00 +ATOM 2979 HD21 LEU A 186 14.376 25.478 78.534 1.00 0.00 +ATOM 2980 HD22 LEU A 186 14.674 25.306 80.290 1.00 0.00 +ATOM 2981 HD23 LEU A 186 13.868 26.785 79.475 1.00 0.00 +ATOM 2982 C LEU A 186 13.672 21.143 79.396 1.00 0.00 +ATOM 2983 O LEU A 186 14.769 20.816 79.929 1.00 0.00 +ATOM 2984 N THR A 187 12.717 20.222 79.127 1.00 0.00 +ATOM 2985 H THR A 187 11.970 20.514 78.514 1.00 0.00 +ATOM 2986 CA THR A 187 12.872 18.789 79.218 1.00 0.00 +ATOM 2987 HA THR A 187 13.316 18.588 80.193 1.00 0.00 +ATOM 2988 CB THR A 187 11.557 17.947 79.165 1.00 0.00 +ATOM 2989 HB THR A 187 11.997 16.964 79.329 1.00 0.00 +ATOM 2990 OG1 THR A 187 10.912 17.839 77.916 1.00 0.00 +ATOM 2991 HG1 THR A 187 10.566 18.701 77.672 1.00 0.00 +ATOM 2992 CG2 THR A 187 10.561 18.370 80.200 1.00 0.00 +ATOM 2993 HG21 THR A 187 10.315 19.430 80.150 1.00 0.00 +ATOM 2994 HG22 THR A 187 10.949 18.139 81.192 1.00 0.00 +ATOM 2995 HG23 THR A 187 9.612 17.867 80.014 1.00 0.00 +ATOM 2996 C THR A 187 13.888 18.283 78.254 1.00 0.00 +ATOM 2997 O THR A 187 14.860 17.648 78.676 1.00 0.00 +ATOM 2998 N GLU A 188 13.687 18.478 76.926 1.00 0.00 +ATOM 2999 H GLU A 188 12.895 19.042 76.652 1.00 0.00 +ATOM 3000 CA GLU A 188 14.703 17.985 75.916 1.00 0.00 +ATOM 3001 HA GLU A 188 14.755 16.898 75.980 1.00 0.00 +ATOM 3002 CB GLU A 188 14.229 18.275 74.531 1.00 0.00 +ATOM 3003 HB2 GLU A 188 15.019 17.898 73.881 1.00 0.00 +ATOM 3004 HB3 GLU A 188 14.160 19.348 74.352 1.00 0.00 +ATOM 3005 CG GLU A 188 12.958 17.585 74.190 1.00 0.00 +ATOM 3006 HG2 GLU A 188 13.048 16.544 74.501 1.00 0.00 +ATOM 3007 HG3 GLU A 188 12.161 17.978 74.820 1.00 0.00 +ATOM 3008 CD GLU A 188 12.713 17.747 72.682 1.00 0.00 +ATOM 3009 OE1 GLU A 188 12.837 16.737 71.946 1.00 0.00 +ATOM 3010 OE2 GLU A 188 12.358 18.815 72.158 1.00 0.00 +ATOM 3011 C GLU A 188 16.112 18.527 76.063 1.00 0.00 +ATOM 3012 O GLU A 188 17.038 17.920 75.553 1.00 0.00 +ATOM 3013 N LEU A 189 16.331 19.702 76.742 1.00 0.00 +ATOM 3014 H LEU A 189 15.505 20.183 77.069 1.00 0.00 +ATOM 3015 CA LEU A 189 17.659 20.161 77.186 1.00 0.00 +ATOM 3016 HA LEU A 189 18.306 20.135 76.309 1.00 0.00 +ATOM 3017 CB LEU A 189 17.531 21.588 77.648 1.00 0.00 +ATOM 3018 HB2 LEU A 189 18.005 21.609 78.629 1.00 0.00 +ATOM 3019 HB3 LEU A 189 16.483 21.733 77.912 1.00 0.00 +ATOM 3020 CG LEU A 189 17.976 22.713 76.633 1.00 0.00 +ATOM 3021 HG LEU A 189 17.512 22.551 75.660 1.00 0.00 +ATOM 3022 CD1 LEU A 189 17.711 24.177 77.136 1.00 0.00 +ATOM 3023 HD11 LEU A 189 16.658 24.249 77.405 1.00 0.00 +ATOM 3024 HD12 LEU A 189 17.889 24.946 76.385 1.00 0.00 +ATOM 3025 HD13 LEU A 189 18.240 24.408 78.061 1.00 0.00 +ATOM 3026 CD2 LEU A 189 19.544 22.685 76.380 1.00 0.00 +ATOM 3027 HD21 LEU A 189 19.697 23.281 75.480 1.00 0.00 +ATOM 3028 HD22 LEU A 189 19.845 21.655 76.191 1.00 0.00 +ATOM 3029 HD23 LEU A 189 20.110 23.095 77.216 1.00 0.00 +ATOM 3030 C LEU A 189 18.303 19.357 78.349 1.00 0.00 +ATOM 3031 O LEU A 189 19.480 19.509 78.584 1.00 0.00 +ATOM 3032 N THR A 190 17.491 18.606 79.148 1.00 0.00 +ATOM 3033 H THR A 190 16.566 18.449 78.773 1.00 0.00 +ATOM 3034 CA THR A 190 17.871 17.923 80.403 1.00 0.00 +ATOM 3035 HA THR A 190 18.912 18.139 80.645 1.00 0.00 +ATOM 3036 CB THR A 190 17.157 18.425 81.644 1.00 0.00 +ATOM 3037 HB THR A 190 17.208 17.762 82.507 1.00 0.00 +ATOM 3038 OG1 THR A 190 15.775 18.600 81.337 1.00 0.00 +ATOM 3039 HG1 THR A 190 15.692 19.289 80.673 1.00 0.00 +ATOM 3040 CG2 THR A 190 17.752 19.768 82.026 1.00 0.00 +ATOM 3041 HG21 THR A 190 17.315 20.038 82.987 1.00 0.00 +ATOM 3042 HG22 THR A 190 18.785 19.537 82.288 1.00 0.00 +ATOM 3043 HG23 THR A 190 17.711 20.584 81.304 1.00 0.00 +ATOM 3044 C THR A 190 17.629 16.372 80.314 1.00 0.00 +ATOM 3045 O THR A 190 18.286 15.701 81.070 1.00 0.00 +ATOM 3046 N THR A 191 16.955 15.775 79.258 1.00 0.00 +ATOM 3047 H THR A 191 16.631 16.386 78.522 1.00 0.00 +ATOM 3048 CA THR A 191 16.981 14.292 78.991 1.00 0.00 +ATOM 3049 HA THR A 191 16.944 13.719 79.917 1.00 0.00 +ATOM 3050 CB THR A 191 15.729 13.912 78.160 1.00 0.00 +ATOM 3051 HB THR A 191 15.766 12.872 77.835 1.00 0.00 +ATOM 3052 OG1 THR A 191 15.682 14.721 77.008 1.00 0.00 +ATOM 3053 HG1 THR A 191 14.941 14.351 76.522 1.00 0.00 +ATOM 3054 CG2 THR A 191 14.439 14.184 78.961 1.00 0.00 +ATOM 3055 HG21 THR A 191 14.281 15.210 79.292 1.00 0.00 +ATOM 3056 HG22 THR A 191 14.223 13.528 79.804 1.00 0.00 +ATOM 3057 HG23 THR A 191 13.624 14.076 78.245 1.00 0.00 +ATOM 3058 C THR A 191 18.194 13.779 78.220 1.00 0.00 +ATOM 3059 O THR A 191 18.058 12.648 77.812 1.00 0.00 +ATOM 3060 N LYS A 192 19.262 14.554 77.972 1.00 0.00 +ATOM 3061 H LYS A 192 19.353 15.405 78.509 1.00 0.00 +ATOM 3062 CA LYS A 192 20.375 13.980 77.156 1.00 0.00 +ATOM 3063 HA LYS A 192 21.024 14.770 76.776 1.00 0.00 +ATOM 3064 CB LYS A 192 21.289 12.989 77.968 1.00 0.00 +ATOM 3065 HB2 LYS A 192 20.851 11.991 77.942 1.00 0.00 +ATOM 3066 HB3 LYS A 192 21.462 13.346 78.983 1.00 0.00 +ATOM 3067 CG LYS A 192 22.642 13.019 77.297 1.00 0.00 +ATOM 3068 HG2 LYS A 192 22.514 12.616 76.292 1.00 0.00 +ATOM 3069 HG3 LYS A 192 22.997 14.042 77.171 1.00 0.00 +ATOM 3070 CD LYS A 192 23.633 12.179 78.127 1.00 0.00 +ATOM 3071 HD2 LYS A 192 24.702 12.285 77.941 1.00 0.00 +ATOM 3072 HD3 LYS A 192 23.500 12.430 79.179 1.00 0.00 +ATOM 3073 CE LYS A 192 23.392 10.689 77.897 1.00 0.00 +ATOM 3074 HE2 LYS A 192 22.418 10.472 78.335 1.00 0.00 +ATOM 3075 HE3 LYS A 192 23.338 10.531 76.820 1.00 0.00 +ATOM 3076 NZ LYS A 192 24.448 9.963 78.682 1.00 0.00 +ATOM 3077 HZ1 LYS A 192 25.376 10.205 78.364 1.00 0.00 +ATOM 3078 HZ2 LYS A 192 24.454 8.964 78.830 1.00 0.00 +ATOM 3079 HZ3 LYS A 192 24.468 10.275 79.642 1.00 0.00 +ATOM 3080 C LYS A 192 19.840 13.399 75.838 1.00 0.00 +ATOM 3081 O LYS A 192 20.123 12.276 75.441 1.00 0.00 +ATOM 3082 N GLY A 193 18.977 14.206 75.147 1.00 0.00 +ATOM 3083 H GLY A 193 18.783 15.130 75.508 1.00 0.00 +ATOM 3084 CA GLY A 193 18.684 14.015 73.705 1.00 0.00 +ATOM 3085 HA2 GLY A 193 19.571 13.843 73.096 1.00 0.00 +ATOM 3086 HA3 GLY A 193 18.291 14.905 73.215 1.00 0.00 +ATOM 3087 C GLY A 193 17.684 12.903 73.453 1.00 0.00 +ATOM 3088 O GLY A 193 17.704 12.261 72.380 1.00 0.00 +ATOM 3089 N ARG A 194 16.838 12.633 74.478 1.00 0.00 +ATOM 3090 H ARG A 194 16.955 13.199 75.306 1.00 0.00 +ATOM 3091 CA ARG A 194 15.649 11.776 74.304 1.00 0.00 +ATOM 3092 HA ARG A 194 15.690 11.252 73.349 1.00 0.00 +ATOM 3093 CB ARG A 194 15.583 10.919 75.502 1.00 0.00 +ATOM 3094 HB2 ARG A 194 15.710 11.576 76.363 1.00 0.00 +ATOM 3095 HB3 ARG A 194 14.608 10.441 75.597 1.00 0.00 +ATOM 3096 CG ARG A 194 16.704 9.842 75.361 1.00 0.00 +ATOM 3097 HG2 ARG A 194 16.442 9.148 74.563 1.00 0.00 +ATOM 3098 HG3 ARG A 194 17.675 10.236 75.060 1.00 0.00 +ATOM 3099 CD ARG A 194 16.940 9.120 76.695 1.00 0.00 +ATOM 3100 HD2 ARG A 194 17.520 8.203 76.591 1.00 0.00 +ATOM 3101 HD3 ARG A 194 15.911 8.907 76.982 1.00 0.00 +ATOM 3102 NE ARG A 194 17.673 9.939 77.614 1.00 0.00 +ATOM 3103 HE ARG A 194 18.056 10.783 77.214 1.00 0.00 +ATOM 3104 CZ ARG A 194 17.874 9.606 78.871 1.00 0.00 +ATOM 3105 NH1 ARG A 194 17.719 8.431 79.303 1.00 0.00 +ATOM 3106 HH11 ARG A 194 17.413 7.674 78.709 1.00 0.00 +ATOM 3107 HH12 ARG A 194 18.241 8.138 80.116 1.00 0.00 +ATOM 3108 NH2 ARG A 194 18.235 10.521 79.726 1.00 0.00 +ATOM 3109 HH21 ARG A 194 18.376 10.197 80.672 1.00 0.00 +ATOM 3110 HH22 ARG A 194 18.452 11.470 79.458 1.00 0.00 +ATOM 3111 C ARG A 194 14.317 12.627 74.156 1.00 0.00 +ATOM 3112 O ARG A 194 14.117 13.606 74.881 1.00 0.00 +ATOM 3113 N VAL A 195 13.473 12.241 73.220 1.00 0.00 +ATOM 3114 H VAL A 195 13.706 11.526 72.546 1.00 0.00 +ATOM 3115 CA VAL A 195 12.116 12.749 72.899 1.00 0.00 +ATOM 3116 HA VAL A 195 12.333 13.720 72.452 1.00 0.00 +ATOM 3117 CB VAL A 195 11.315 11.916 71.793 1.00 0.00 +ATOM 3118 HB VAL A 195 10.328 12.377 71.759 1.00 0.00 +ATOM 3119 CG1 VAL A 195 11.949 12.035 70.395 1.00 0.00 +ATOM 3120 HG11 VAL A 195 12.866 11.458 70.510 1.00 0.00 +ATOM 3121 HG12 VAL A 195 12.140 13.080 70.150 1.00 0.00 +ATOM 3122 HG13 VAL A 195 11.279 11.647 69.628 1.00 0.00 +ATOM 3123 CG2 VAL A 195 11.100 10.446 72.182 1.00 0.00 +ATOM 3124 HG21 VAL A 195 10.594 10.406 73.147 1.00 0.00 +ATOM 3125 HG22 VAL A 195 11.940 9.766 72.324 1.00 0.00 +ATOM 3126 HG23 VAL A 195 10.481 10.007 71.399 1.00 0.00 +ATOM 3127 C VAL A 195 11.325 12.804 74.180 1.00 0.00 +ATOM 3128 O VAL A 195 11.599 12.080 75.151 1.00 0.00 +ATOM 3129 N PRO A 196 10.297 13.663 74.317 1.00 0.00 +ATOM 3130 CA PRO A 196 9.459 13.675 75.470 1.00 0.00 +ATOM 3131 HA PRO A 196 10.146 13.558 76.308 1.00 0.00 +ATOM 3132 CD PRO A 196 9.907 14.779 73.398 1.00 0.00 +ATOM 3133 HD2 PRO A 196 9.231 14.394 72.634 1.00 0.00 +ATOM 3134 HD3 PRO A 196 10.782 15.082 72.823 1.00 0.00 +ATOM 3135 CB PRO A 196 8.606 15.031 75.392 1.00 0.00 +ATOM 3136 HB2 PRO A 196 7.596 14.842 75.028 1.00 0.00 +ATOM 3137 HB3 PRO A 196 8.594 15.487 76.382 1.00 0.00 +ATOM 3138 CG PRO A 196 9.345 15.820 74.344 1.00 0.00 +ATOM 3139 HG2 PRO A 196 10.034 16.595 74.679 1.00 0.00 +ATOM 3140 HG3 PRO A 196 8.627 16.297 73.677 1.00 0.00 +ATOM 3141 C PRO A 196 8.500 12.480 75.502 1.00 0.00 +ATOM 3142 O PRO A 196 8.242 11.882 74.426 1.00 0.00 +ATOM 3143 N TYR A 197 8.003 12.029 76.680 1.00 0.00 +ATOM 3144 H TYR A 197 8.178 12.539 77.534 1.00 0.00 +ATOM 3145 CA TYR A 197 7.289 10.830 76.898 1.00 0.00 +ATOM 3146 HA TYR A 197 7.216 10.617 77.964 1.00 0.00 +ATOM 3147 CB TYR A 197 5.840 11.111 76.475 1.00 0.00 +ATOM 3148 HB2 TYR A 197 5.385 10.197 76.858 1.00 0.00 +ATOM 3149 HB3 TYR A 197 5.628 11.184 75.409 1.00 0.00 +ATOM 3150 CG TYR A 197 5.273 12.299 77.148 1.00 0.00 +ATOM 3151 CD1 TYR A 197 4.862 12.237 78.502 1.00 0.00 +ATOM 3152 HD1 TYR A 197 4.742 11.308 79.039 1.00 0.00 +ATOM 3153 CD2 TYR A 197 5.244 13.460 76.397 1.00 0.00 +ATOM 3154 HD2 TYR A 197 5.558 13.471 75.363 1.00 0.00 +ATOM 3155 CE1 TYR A 197 4.427 13.437 79.106 1.00 0.00 +ATOM 3156 HE1 TYR A 197 3.944 13.391 80.071 1.00 0.00 +ATOM 3157 CE2 TYR A 197 4.612 14.552 77.030 1.00 0.00 +ATOM 3158 HE2 TYR A 197 4.407 15.429 76.433 1.00 0.00 +ATOM 3159 CZ TYR A 197 4.273 14.587 78.368 1.00 0.00 +ATOM 3160 OH TYR A 197 3.700 15.668 78.916 1.00 0.00 +ATOM 3161 HH TYR A 197 3.540 16.446 78.376 1.00 0.00 +ATOM 3162 C TYR A 197 7.916 9.594 76.222 1.00 0.00 +ATOM 3163 O TYR A 197 7.320 9.073 75.297 1.00 0.00 +ATOM 3164 N PRO A 198 9.178 9.248 76.526 1.00 0.00 +ATOM 3165 CA PRO A 198 9.942 8.399 75.607 1.00 0.00 +ATOM 3166 HA PRO A 198 9.819 8.745 74.581 1.00 0.00 +ATOM 3167 CD PRO A 198 9.975 9.838 77.592 1.00 0.00 +ATOM 3168 HD2 PRO A 198 9.589 9.691 78.600 1.00 0.00 +ATOM 3169 HD3 PRO A 198 10.233 10.885 77.430 1.00 0.00 +ATOM 3170 CB PRO A 198 11.398 8.482 75.990 1.00 0.00 +ATOM 3171 HB2 PRO A 198 11.862 9.305 75.448 1.00 0.00 +ATOM 3172 HB3 PRO A 198 11.997 7.575 75.902 1.00 0.00 +ATOM 3173 CG PRO A 198 11.263 8.944 77.493 1.00 0.00 +ATOM 3174 HG2 PRO A 198 11.134 8.032 78.076 1.00 0.00 +ATOM 3175 HG3 PRO A 198 12.173 9.380 77.907 1.00 0.00 +ATOM 3176 C PRO A 198 9.358 6.911 75.629 1.00 0.00 +ATOM 3177 O PRO A 198 9.601 6.081 74.764 1.00 0.00 +ATOM 3178 N GLY A 199 8.568 6.583 76.635 1.00 0.00 +ATOM 3179 H GLY A 199 8.629 7.146 77.472 1.00 0.00 +ATOM 3180 CA GLY A 199 7.787 5.292 76.774 1.00 0.00 +ATOM 3181 HA2 GLY A 199 7.757 5.011 77.827 1.00 0.00 +ATOM 3182 HA3 GLY A 199 8.364 4.570 76.196 1.00 0.00 +ATOM 3183 C GLY A 199 6.355 5.194 76.191 1.00 0.00 +ATOM 3184 O GLY A 199 5.720 4.147 76.342 1.00 0.00 +ATOM 3185 N MET A 200 5.883 6.307 75.642 1.00 0.00 +ATOM 3186 H MET A 200 6.522 7.064 75.443 1.00 0.00 +ATOM 3187 CA MET A 200 4.475 6.501 75.139 1.00 0.00 +ATOM 3188 HA MET A 200 3.930 5.563 75.237 1.00 0.00 +ATOM 3189 CB MET A 200 3.730 7.656 75.885 1.00 0.00 +ATOM 3190 HB2 MET A 200 4.467 8.405 76.177 1.00 0.00 +ATOM 3191 HB3 MET A 200 2.937 8.050 75.250 1.00 0.00 +ATOM 3192 CG MET A 200 3.254 7.264 77.235 1.00 0.00 +ATOM 3193 HG2 MET A 200 2.483 6.499 77.138 1.00 0.00 +ATOM 3194 HG3 MET A 200 4.156 6.866 77.700 1.00 0.00 +ATOM 3195 SD MET A 200 2.611 8.608 78.322 1.00 0.00 +ATOM 3196 CE MET A 200 2.415 7.757 79.855 1.00 0.00 +ATOM 3197 HE1 MET A 200 1.671 6.967 79.747 1.00 0.00 +ATOM 3198 HE2 MET A 200 2.023 8.412 80.633 1.00 0.00 +ATOM 3199 HE3 MET A 200 3.399 7.388 80.145 1.00 0.00 +ATOM 3200 C MET A 200 4.463 6.919 73.664 1.00 0.00 +ATOM 3201 O MET A 200 5.306 7.744 73.277 1.00 0.00 +ATOM 3202 N VAL A 201 3.604 6.365 72.821 1.00 0.00 +ATOM 3203 H VAL A 201 3.061 5.543 73.042 1.00 0.00 +ATOM 3204 CA VAL A 201 3.332 6.849 71.462 1.00 0.00 +ATOM 3205 HA VAL A 201 4.219 7.378 71.115 1.00 0.00 +ATOM 3206 CB VAL A 201 3.000 5.691 70.477 1.00 0.00 +ATOM 3207 HB VAL A 201 3.879 5.049 70.416 1.00 0.00 +ATOM 3208 CG1 VAL A 201 1.746 4.879 70.874 1.00 0.00 +ATOM 3209 HG11 VAL A 201 1.501 4.175 70.078 1.00 0.00 +ATOM 3210 HG12 VAL A 201 1.932 4.389 71.830 1.00 0.00 +ATOM 3211 HG13 VAL A 201 0.893 5.524 71.083 1.00 0.00 +ATOM 3212 CG2 VAL A 201 2.916 6.118 68.976 1.00 0.00 +ATOM 3213 HG21 VAL A 201 2.868 5.247 68.322 1.00 0.00 +ATOM 3214 HG22 VAL A 201 2.001 6.671 68.764 1.00 0.00 +ATOM 3215 HG23 VAL A 201 3.752 6.690 68.573 1.00 0.00 +ATOM 3216 C VAL A 201 2.270 7.911 71.526 1.00 0.00 +ATOM 3217 O VAL A 201 1.483 7.930 72.482 1.00 0.00 +ATOM 3218 N ASN A 202 2.038 8.714 70.485 1.00 0.00 +ATOM 3219 H ASN A 202 2.739 8.773 69.760 1.00 0.00 +ATOM 3220 CA ASN A 202 1.370 10.059 70.515 1.00 0.00 +ATOM 3221 HA ASN A 202 1.865 10.653 71.283 1.00 0.00 +ATOM 3222 CB ASN A 202 1.586 10.673 69.067 1.00 0.00 +ATOM 3223 HB2 ASN A 202 0.940 11.542 68.947 1.00 0.00 +ATOM 3224 HB3 ASN A 202 1.372 9.902 68.326 1.00 0.00 +ATOM 3225 CG ASN A 202 2.977 11.163 68.894 1.00 0.00 +ATOM 3226 OD1 ASN A 202 3.814 10.901 69.716 1.00 0.00 +ATOM 3227 ND2 ASN A 202 3.407 11.803 67.818 1.00 0.00 +ATOM 3228 HD21 ASN A 202 2.832 12.073 67.033 1.00 0.00 +ATOM 3229 HD22 ASN A 202 4.413 11.890 67.793 1.00 0.00 +ATOM 3230 C ASN A 202 -0.117 9.912 70.870 1.00 0.00 +ATOM 3231 O ASN A 202 -0.756 10.777 71.432 1.00 0.00 +ATOM 3232 N ARG A 203 -0.785 8.735 70.648 1.00 0.00 +ATOM 3233 H ARG A 203 -0.418 8.043 70.010 1.00 0.00 +ATOM 3234 CA ARG A 203 -2.120 8.471 71.161 1.00 0.00 +ATOM 3235 HA ARG A 203 -2.756 9.347 71.030 1.00 0.00 +ATOM 3236 CB ARG A 203 -2.755 7.363 70.188 1.00 0.00 +ATOM 3237 HB2 ARG A 203 -2.491 7.595 69.156 1.00 0.00 +ATOM 3238 HB3 ARG A 203 -3.833 7.316 70.345 1.00 0.00 +ATOM 3239 CG ARG A 203 -2.168 5.981 70.472 1.00 0.00 +ATOM 3240 HG2 ARG A 203 -2.380 5.625 71.481 1.00 0.00 +ATOM 3241 HG3 ARG A 203 -1.092 5.935 70.306 1.00 0.00 +ATOM 3242 CD ARG A 203 -2.771 4.980 69.445 1.00 0.00 +ATOM 3243 HD2 ARG A 203 -2.660 5.381 68.437 1.00 0.00 +ATOM 3244 HD3 ARG A 203 -3.845 4.851 69.584 1.00 0.00 +ATOM 3245 NE ARG A 203 -2.011 3.731 69.407 1.00 0.00 +ATOM 3246 HE ARG A 203 -1.602 3.505 68.511 1.00 0.00 +ATOM 3247 CZ ARG A 203 -2.054 2.822 70.390 1.00 0.00 +ATOM 3248 NH1 ARG A 203 -2.701 2.917 71.498 1.00 0.00 +ATOM 3249 HH11 ARG A 203 -3.054 3.827 71.754 1.00 0.00 +ATOM 3250 HH12 ARG A 203 -2.602 2.113 72.101 1.00 0.00 +ATOM 3251 NH2 ARG A 203 -1.388 1.661 70.132 1.00 0.00 +ATOM 3252 HH21 ARG A 203 -1.346 0.872 70.761 1.00 0.00 +ATOM 3253 HH22 ARG A 203 -0.806 1.688 69.307 1.00 0.00 +ATOM 3254 C ARG A 203 -2.239 8.129 72.657 1.00 0.00 +ATOM 3255 O ARG A 203 -3.288 8.450 73.148 1.00 0.00 +ATOM 3256 N GLU A 204 -1.223 7.575 73.305 1.00 0.00 +ATOM 3257 H GLU A 204 -0.322 7.498 72.855 1.00 0.00 +ATOM 3258 CA GLU A 204 -1.260 7.335 74.743 1.00 0.00 +ATOM 3259 HA GLU A 204 -2.269 6.980 74.953 1.00 0.00 +ATOM 3260 CB GLU A 204 -0.067 6.405 75.184 1.00 0.00 +ATOM 3261 HB2 GLU A 204 0.037 6.458 76.268 1.00 0.00 +ATOM 3262 HB3 GLU A 204 0.853 6.795 74.751 1.00 0.00 +ATOM 3263 CG GLU A 204 -0.420 4.995 74.729 1.00 0.00 +ATOM 3264 HG2 GLU A 204 -1.365 4.803 75.237 1.00 0.00 +ATOM 3265 HG3 GLU A 204 -0.561 5.043 73.649 1.00 0.00 +ATOM 3266 CD GLU A 204 0.580 3.926 75.178 1.00 0.00 +ATOM 3267 OE1 GLU A 204 1.371 3.592 74.280 1.00 0.00 +ATOM 3268 OE2 GLU A 204 0.449 3.406 76.309 1.00 0.00 +ATOM 3269 C GLU A 204 -1.116 8.714 75.457 1.00 0.00 +ATOM 3270 O GLU A 204 -1.765 8.905 76.425 1.00 0.00 +ATOM 3271 N VAL A 205 -0.344 9.649 74.909 1.00 0.00 +ATOM 3272 H VAL A 205 0.260 9.294 74.181 1.00 0.00 +ATOM 3273 CA VAL A 205 -0.021 10.946 75.525 1.00 0.00 +ATOM 3274 HA VAL A 205 0.317 10.748 76.543 1.00 0.00 +ATOM 3275 CB VAL A 205 1.026 11.747 74.711 1.00 0.00 +ATOM 3276 HB VAL A 205 0.675 12.103 73.743 1.00 0.00 +ATOM 3277 CG1 VAL A 205 1.566 12.993 75.484 1.00 0.00 +ATOM 3278 HG11 VAL A 205 2.438 13.396 74.969 1.00 0.00 +ATOM 3279 HG12 VAL A 205 1.877 12.552 76.431 1.00 0.00 +ATOM 3280 HG13 VAL A 205 0.780 13.735 75.631 1.00 0.00 +ATOM 3281 CG2 VAL A 205 2.249 10.825 74.464 1.00 0.00 +ATOM 3282 HG21 VAL A 205 1.991 9.909 73.933 1.00 0.00 +ATOM 3283 HG22 VAL A 205 2.972 11.331 73.825 1.00 0.00 +ATOM 3284 HG23 VAL A 205 2.761 10.541 75.384 1.00 0.00 +ATOM 3285 C VAL A 205 -1.302 11.763 75.571 1.00 0.00 +ATOM 3286 O VAL A 205 -1.622 12.385 76.598 1.00 0.00 +ATOM 3287 N LEU A 206 -1.970 11.759 74.391 1.00 0.00 +ATOM 3288 H LEU A 206 -1.507 11.341 73.596 1.00 0.00 +ATOM 3289 CA LEU A 206 -3.190 12.507 74.202 1.00 0.00 +ATOM 3290 HA LEU A 206 -2.960 13.563 74.348 1.00 0.00 +ATOM 3291 CB LEU A 206 -3.709 12.270 72.871 1.00 0.00 +ATOM 3292 HB2 LEU A 206 -4.048 11.234 72.849 1.00 0.00 +ATOM 3293 HB3 LEU A 206 -2.865 12.420 72.199 1.00 0.00 +ATOM 3294 CG LEU A 206 -4.848 13.122 72.247 1.00 0.00 +ATOM 3295 HG LEU A 206 -5.035 12.960 71.186 1.00 0.00 +ATOM 3296 CD1 LEU A 206 -6.264 13.072 72.829 1.00 0.00 +ATOM 3297 HD11 LEU A 206 -6.900 13.837 72.384 1.00 0.00 +ATOM 3298 HD12 LEU A 206 -6.618 12.042 72.810 1.00 0.00 +ATOM 3299 HD13 LEU A 206 -6.282 13.411 73.865 1.00 0.00 +ATOM 3300 CD2 LEU A 206 -4.398 14.584 72.369 1.00 0.00 +ATOM 3301 HD21 LEU A 206 -4.909 15.206 71.635 1.00 0.00 +ATOM 3302 HD22 LEU A 206 -3.348 14.810 72.183 1.00 0.00 +ATOM 3303 HD23 LEU A 206 -4.663 14.901 73.377 1.00 0.00 +ATOM 3304 C LEU A 206 -4.276 12.154 75.240 1.00 0.00 +ATOM 3305 O LEU A 206 -4.895 13.050 75.822 1.00 0.00 +ATOM 3306 N ASP A 207 -4.432 10.857 75.533 1.00 0.00 +ATOM 3307 H ASP A 207 -3.796 10.172 75.149 1.00 0.00 +ATOM 3308 CA ASP A 207 -5.406 10.262 76.372 1.00 0.00 +ATOM 3309 HA ASP A 207 -6.339 10.813 76.253 1.00 0.00 +ATOM 3310 CB ASP A 207 -5.559 8.756 76.111 1.00 0.00 +ATOM 3311 HB2 ASP A 207 -4.543 8.364 76.160 1.00 0.00 +ATOM 3312 HB3 ASP A 207 -5.898 8.579 75.090 1.00 0.00 +ATOM 3313 CG ASP A 207 -6.571 8.034 77.086 1.00 0.00 +ATOM 3314 OD1 ASP A 207 -7.804 7.972 76.884 1.00 0.00 +ATOM 3315 OD2 ASP A 207 -6.088 7.513 78.074 1.00 0.00 +ATOM 3316 C ASP A 207 -5.203 10.493 77.920 1.00 0.00 +ATOM 3317 O ASP A 207 -6.123 10.451 78.768 1.00 0.00 +ATOM 3318 N GLN A 208 -3.975 10.893 78.292 1.00 0.00 +ATOM 3319 H GLN A 208 -3.275 11.071 77.586 1.00 0.00 +ATOM 3320 CA GLN A 208 -3.426 10.917 79.661 1.00 0.00 +ATOM 3321 HA GLN A 208 -4.182 10.566 80.364 1.00 0.00 +ATOM 3322 CB GLN A 208 -2.124 10.010 79.745 1.00 0.00 +ATOM 3323 HB2 GLN A 208 -1.623 10.046 80.712 1.00 0.00 +ATOM 3324 HB3 GLN A 208 -1.424 10.255 78.947 1.00 0.00 +ATOM 3325 CG GLN A 208 -2.580 8.522 79.536 1.00 0.00 +ATOM 3326 HG2 GLN A 208 -3.128 8.461 78.595 1.00 0.00 +ATOM 3327 HG3 GLN A 208 -1.586 8.076 79.540 1.00 0.00 +ATOM 3328 CD GLN A 208 -3.381 8.009 80.708 1.00 0.00 +ATOM 3329 OE1 GLN A 208 -2.939 7.710 81.813 1.00 0.00 +ATOM 3330 NE2 GLN A 208 -4.567 7.613 80.469 1.00 0.00 +ATOM 3331 HE21 GLN A 208 -4.958 7.607 79.538 1.00 0.00 +ATOM 3332 HE22 GLN A 208 -4.993 7.161 81.266 1.00 0.00 +ATOM 3333 C GLN A 208 -3.219 12.399 80.098 1.00 0.00 +ATOM 3334 O GLN A 208 -3.681 12.910 81.114 1.00 0.00 +ATOM 3335 N VAL A 209 -2.492 13.275 79.292 1.00 0.00 +ATOM 3336 H VAL A 209 -2.262 12.966 78.359 1.00 0.00 +ATOM 3337 CA VAL A 209 -2.431 14.749 79.609 1.00 0.00 +ATOM 3338 HA VAL A 209 -2.025 14.757 80.621 1.00 0.00 +ATOM 3339 CB VAL A 209 -1.325 15.464 78.769 1.00 0.00 +ATOM 3340 HB VAL A 209 -1.078 16.336 79.376 1.00 0.00 +ATOM 3341 CG1 VAL A 209 -0.005 14.656 78.727 1.00 0.00 +ATOM 3342 HG11 VAL A 209 0.298 14.243 79.689 1.00 0.00 +ATOM 3343 HG12 VAL A 209 -0.006 13.918 77.925 1.00 0.00 +ATOM 3344 HG13 VAL A 209 0.753 15.302 78.283 1.00 0.00 +ATOM 3345 CG2 VAL A 209 -1.763 15.978 77.395 1.00 0.00 +ATOM 3346 HG21 VAL A 209 -2.261 15.199 76.817 1.00 0.00 +ATOM 3347 HG22 VAL A 209 -2.454 16.805 77.561 1.00 0.00 +ATOM 3348 HG23 VAL A 209 -0.925 16.457 76.890 1.00 0.00 +ATOM 3349 C VAL A 209 -3.770 15.572 79.609 1.00 0.00 +ATOM 3350 O VAL A 209 -3.780 16.582 80.330 1.00 0.00 +ATOM 3351 N GLU A 210 -4.862 15.071 79.021 1.00 0.00 +ATOM 3352 H GLU A 210 -4.786 14.316 78.355 1.00 0.00 +ATOM 3353 CA GLU A 210 -6.174 15.644 79.166 1.00 0.00 +ATOM 3354 HA GLU A 210 -6.091 16.730 79.193 1.00 0.00 +ATOM 3355 CB GLU A 210 -7.009 15.234 78.037 1.00 0.00 +ATOM 3356 HB2 GLU A 210 -6.526 15.336 77.065 1.00 0.00 +ATOM 3357 HB3 GLU A 210 -7.791 15.981 77.899 1.00 0.00 +ATOM 3358 CG GLU A 210 -7.641 13.842 78.061 1.00 0.00 +ATOM 3359 HG2 GLU A 210 -8.360 13.631 78.853 1.00 0.00 +ATOM 3360 HG3 GLU A 210 -6.815 13.156 78.247 1.00 0.00 +ATOM 3361 CD GLU A 210 -8.366 13.486 76.755 1.00 0.00 +ATOM 3362 OE1 GLU A 210 -9.239 14.297 76.349 1.00 0.00 +ATOM 3363 OE2 GLU A 210 -8.099 12.381 76.187 1.00 0.00 +ATOM 3364 C GLU A 210 -6.880 15.340 80.600 1.00 0.00 +ATOM 3365 O GLU A 210 -7.883 16.020 80.961 1.00 0.00 +ATOM 3366 N ARG A 211 -6.278 14.420 81.361 1.00 0.00 +ATOM 3367 H ARG A 211 -5.373 14.076 81.074 1.00 0.00 +ATOM 3368 CA ARG A 211 -6.676 14.123 82.746 1.00 0.00 +ATOM 3369 HA ARG A 211 -7.676 14.526 82.904 1.00 0.00 +ATOM 3370 CB ARG A 211 -6.666 12.576 82.936 1.00 0.00 +ATOM 3371 HB2 ARG A 211 -7.233 12.439 83.857 1.00 0.00 +ATOM 3372 HB3 ARG A 211 -5.627 12.291 83.098 1.00 0.00 +ATOM 3373 CG ARG A 211 -7.341 11.700 81.846 1.00 0.00 +ATOM 3374 HG2 ARG A 211 -6.835 11.767 80.883 1.00 0.00 +ATOM 3375 HG3 ARG A 211 -8.354 12.047 81.647 1.00 0.00 +ATOM 3376 CD ARG A 211 -7.454 10.245 82.286 1.00 0.00 +ATOM 3377 HD2 ARG A 211 -8.201 10.148 83.074 1.00 0.00 +ATOM 3378 HD3 ARG A 211 -6.552 9.874 82.771 1.00 0.00 +ATOM 3379 NE ARG A 211 -7.738 9.420 81.046 1.00 0.00 +ATOM 3380 HE ARG A 211 -7.189 9.668 80.236 1.00 0.00 +ATOM 3381 CZ ARG A 211 -8.545 8.426 80.865 1.00 0.00 +ATOM 3382 NH1 ARG A 211 -9.453 8.126 81.834 1.00 0.00 +ATOM 3383 HH11 ARG A 211 -9.465 8.674 82.683 1.00 0.00 +ATOM 3384 HH12 ARG A 211 -10.071 7.333 81.929 1.00 0.00 +ATOM 3385 NH2 ARG A 211 -8.502 7.630 79.888 1.00 0.00 +ATOM 3386 HH21 ARG A 211 -9.198 6.898 79.869 1.00 0.00 +ATOM 3387 HH22 ARG A 211 -7.828 7.773 79.149 1.00 0.00 +ATOM 3388 C ARG A 211 -5.853 14.807 83.829 1.00 0.00 +ATOM 3389 O ARG A 211 -6.094 14.575 85.034 1.00 0.00 +ATOM 3390 N GLY A 212 -4.861 15.652 83.430 1.00 0.00 +ATOM 3391 H GLY A 212 -4.833 15.771 82.427 1.00 0.00 +ATOM 3392 CA GLY A 212 -3.946 16.323 84.402 1.00 0.00 +ATOM 3393 HA2 GLY A 212 -4.124 17.379 84.199 1.00 0.00 +ATOM 3394 HA3 GLY A 212 -4.222 16.103 85.433 1.00 0.00 +ATOM 3395 C GLY A 212 -2.458 15.837 84.313 1.00 0.00 +ATOM 3396 O GLY A 212 -1.603 16.431 84.977 1.00 0.00 +ATOM 3397 N TYR A 213 -2.231 14.698 83.682 1.00 0.00 +ATOM 3398 H TYR A 213 -3.018 14.204 83.289 1.00 0.00 +ATOM 3399 CA TYR A 213 -0.814 14.160 83.667 1.00 0.00 +ATOM 3400 HA TYR A 213 -0.465 14.114 84.698 1.00 0.00 +ATOM 3401 CB TYR A 213 -0.878 12.725 83.046 1.00 0.00 +ATOM 3402 HB2 TYR A 213 -1.293 12.880 82.050 1.00 0.00 +ATOM 3403 HB3 TYR A 213 -1.614 12.079 83.526 1.00 0.00 +ATOM 3404 CG TYR A 213 0.478 12.017 83.117 1.00 0.00 +ATOM 3405 CD1 TYR A 213 0.978 11.655 84.355 1.00 0.00 +ATOM 3406 HD1 TYR A 213 0.417 11.963 85.225 1.00 0.00 +ATOM 3407 CD2 TYR A 213 1.090 11.560 81.917 1.00 0.00 +ATOM 3408 HD2 TYR A 213 0.500 11.733 81.029 1.00 0.00 +ATOM 3409 CE1 TYR A 213 2.014 10.801 84.476 1.00 0.00 +ATOM 3410 HE1 TYR A 213 2.370 10.439 85.429 1.00 0.00 +ATOM 3411 CE2 TYR A 213 2.220 10.709 82.035 1.00 0.00 +ATOM 3412 HE2 TYR A 213 2.816 10.380 81.196 1.00 0.00 +ATOM 3413 CZ TYR A 213 2.673 10.345 83.337 1.00 0.00 +ATOM 3414 OH TYR A 213 3.793 9.620 83.482 1.00 0.00 +ATOM 3415 HH TYR A 213 4.252 9.617 82.638 1.00 0.00 +ATOM 3416 C TYR A 213 0.131 15.100 82.925 1.00 0.00 +ATOM 3417 O TYR A 213 -0.228 15.787 81.942 1.00 0.00 +ATOM 3418 N ARG A 214 1.370 15.166 83.355 1.00 0.00 +ATOM 3419 H ARG A 214 1.589 14.625 84.179 1.00 0.00 +ATOM 3420 CA ARG A 214 2.456 15.761 82.655 1.00 0.00 +ATOM 3421 HA ARG A 214 2.238 15.946 81.604 1.00 0.00 +ATOM 3422 CB ARG A 214 2.879 17.071 83.379 1.00 0.00 +ATOM 3423 HB2 ARG A 214 3.114 16.785 84.404 1.00 0.00 +ATOM 3424 HB3 ARG A 214 3.855 17.443 83.067 1.00 0.00 +ATOM 3425 CG ARG A 214 1.793 18.129 83.370 1.00 0.00 +ATOM 3426 HG2 ARG A 214 2.197 19.047 83.796 1.00 0.00 +ATOM 3427 HG3 ARG A 214 0.880 17.841 83.892 1.00 0.00 +ATOM 3428 CD ARG A 214 1.382 18.580 82.004 1.00 0.00 +ATOM 3429 HD2 ARG A 214 2.168 19.047 81.410 1.00 0.00 +ATOM 3430 HD3 ARG A 214 1.259 17.670 81.417 1.00 0.00 +ATOM 3431 NE ARG A 214 0.164 19.388 81.997 1.00 0.00 +ATOM 3432 HE ARG A 214 0.366 20.371 82.113 1.00 0.00 +ATOM 3433 CZ ARG A 214 -1.154 19.240 81.736 1.00 0.00 +ATOM 3434 NH1 ARG A 214 -1.657 18.108 81.654 1.00 0.00 +ATOM 3435 HH11 ARG A 214 -0.926 17.434 81.477 1.00 0.00 +ATOM 3436 HH12 ARG A 214 -2.615 17.971 81.365 1.00 0.00 +ATOM 3437 NH2 ARG A 214 -2.001 20.210 81.714 1.00 0.00 +ATOM 3438 HH21 ARG A 214 -3.002 20.076 81.732 1.00 0.00 +ATOM 3439 HH22 ARG A 214 -1.620 21.137 81.593 1.00 0.00 +ATOM 3440 C ARG A 214 3.612 14.807 82.577 1.00 0.00 +ATOM 3441 O ARG A 214 3.640 13.708 83.171 1.00 0.00 +ATOM 3442 N MET A 215 4.707 15.296 81.855 1.00 0.00 +ATOM 3443 H MET A 215 4.651 16.165 81.343 1.00 0.00 +ATOM 3444 CA MET A 215 6.071 14.677 81.913 1.00 0.00 +ATOM 3445 HA MET A 215 6.005 13.631 81.613 1.00 0.00 +ATOM 3446 CB MET A 215 6.890 15.369 80.783 1.00 0.00 +ATOM 3447 HB2 MET A 215 7.128 16.408 81.013 1.00 0.00 +ATOM 3448 HB3 MET A 215 6.349 15.378 79.837 1.00 0.00 +ATOM 3449 CG MET A 215 8.240 14.751 80.526 1.00 0.00 +ATOM 3450 HG2 MET A 215 8.714 15.471 79.859 1.00 0.00 +ATOM 3451 HG3 MET A 215 8.886 14.624 81.396 1.00 0.00 +ATOM 3452 SD MET A 215 8.100 13.170 79.767 1.00 0.00 +ATOM 3453 CE MET A 215 9.871 12.811 79.701 1.00 0.00 +ATOM 3454 HE1 MET A 215 10.279 12.994 80.695 1.00 0.00 +ATOM 3455 HE2 MET A 215 9.976 11.753 79.462 1.00 0.00 +ATOM 3456 HE3 MET A 215 10.414 13.371 78.940 1.00 0.00 +ATOM 3457 C MET A 215 6.825 14.765 83.262 1.00 0.00 +ATOM 3458 O MET A 215 6.960 15.858 83.770 1.00 0.00 +ATOM 3459 N PRO A 216 7.097 13.626 83.934 1.00 0.00 +ATOM 3460 CA PRO A 216 7.853 13.581 85.198 1.00 0.00 +ATOM 3461 HA PRO A 216 7.180 13.976 85.959 1.00 0.00 +ATOM 3462 CD PRO A 216 6.885 12.255 83.485 1.00 0.00 +ATOM 3463 HD2 PRO A 216 5.904 12.046 83.057 1.00 0.00 +ATOM 3464 HD3 PRO A 216 7.718 11.966 82.844 1.00 0.00 +ATOM 3465 CB PRO A 216 8.076 12.106 85.577 1.00 0.00 +ATOM 3466 HB2 PRO A 216 7.986 11.949 86.652 1.00 0.00 +ATOM 3467 HB3 PRO A 216 9.002 11.703 85.166 1.00 0.00 +ATOM 3468 CG PRO A 216 6.994 11.416 84.792 1.00 0.00 +ATOM 3469 HG2 PRO A 216 7.192 10.389 84.483 1.00 0.00 +ATOM 3470 HG3 PRO A 216 6.108 11.445 85.428 1.00 0.00 +ATOM 3471 C PRO A 216 9.305 14.175 85.149 1.00 0.00 +ATOM 3472 O PRO A 216 9.932 14.292 84.098 1.00 0.00 +ATOM 3473 N CYS A 217 9.706 14.589 86.309 1.00 0.00 +ATOM 3474 H CYS A 217 9.218 14.283 87.139 1.00 0.00 +ATOM 3475 CA CYS A 217 10.915 15.413 86.368 1.00 0.00 +ATOM 3476 HA CYS A 217 10.710 16.374 85.898 1.00 0.00 +ATOM 3477 CB CYS A 217 11.231 15.645 87.830 1.00 0.00 +ATOM 3478 HB2 CYS A 217 10.266 15.770 88.321 1.00 0.00 +ATOM 3479 HB3 CYS A 217 11.643 14.686 88.144 1.00 0.00 +ATOM 3480 SG CYS A 217 12.368 17.067 88.014 1.00 0.00 +ATOM 3481 HG CYS A 217 12.664 16.808 89.291 1.00 0.00 +ATOM 3482 C CYS A 217 12.220 14.885 85.635 1.00 0.00 +ATOM 3483 O CYS A 217 12.500 13.688 85.761 1.00 0.00 +ATOM 3484 N PRO A 218 12.914 15.709 84.868 1.00 0.00 +ATOM 3485 CA PRO A 218 13.954 15.146 84.075 1.00 0.00 +ATOM 3486 HA PRO A 218 13.611 14.272 83.520 1.00 0.00 +ATOM 3487 CD PRO A 218 12.546 17.024 84.307 1.00 0.00 +ATOM 3488 HD2 PRO A 218 11.595 16.810 83.820 1.00 0.00 +ATOM 3489 HD3 PRO A 218 12.348 17.776 85.071 1.00 0.00 +ATOM 3490 CB PRO A 218 14.164 16.161 82.889 1.00 0.00 +ATOM 3491 HB2 PRO A 218 13.555 15.792 82.064 1.00 0.00 +ATOM 3492 HB3 PRO A 218 15.224 16.185 82.636 1.00 0.00 +ATOM 3493 CG PRO A 218 13.505 17.447 83.271 1.00 0.00 +ATOM 3494 HG2 PRO A 218 13.041 17.830 82.362 1.00 0.00 +ATOM 3495 HG3 PRO A 218 14.214 18.200 83.613 1.00 0.00 +ATOM 3496 C PRO A 218 15.191 14.809 84.924 1.00 0.00 +ATOM 3497 O PRO A 218 15.382 15.429 85.969 1.00 0.00 +ATOM 3498 N PRO A 219 16.175 14.061 84.330 1.00 0.00 +ATOM 3499 CA PRO A 219 17.431 13.855 85.023 1.00 0.00 +ATOM 3500 HA PRO A 219 17.163 13.584 86.045 1.00 0.00 +ATOM 3501 CD PRO A 219 16.137 13.091 83.263 1.00 0.00 +ATOM 3502 HD2 PRO A 219 15.132 12.692 83.126 1.00 0.00 +ATOM 3503 HD3 PRO A 219 16.490 13.620 82.378 1.00 0.00 +ATOM 3504 CB PRO A 219 18.274 12.736 84.264 1.00 0.00 +ATOM 3505 HB2 PRO A 219 18.937 12.176 84.924 1.00 0.00 +ATOM 3506 HB3 PRO A 219 18.991 13.207 83.591 1.00 0.00 +ATOM 3507 CG PRO A 219 17.146 11.987 83.589 1.00 0.00 +ATOM 3508 HG2 PRO A 219 17.556 11.490 82.710 1.00 0.00 +ATOM 3509 HG3 PRO A 219 16.698 11.230 84.232 1.00 0.00 +ATOM 3510 C PRO A 219 18.178 15.271 84.996 1.00 0.00 +ATOM 3511 O PRO A 219 17.982 16.121 84.123 1.00 0.00 +ATOM 3512 N GLU A 220 19.114 15.303 85.917 1.00 0.00 +ATOM 3513 H GLU A 220 19.146 14.470 86.487 1.00 0.00 +ATOM 3514 CA GLU A 220 19.945 16.525 86.323 1.00 0.00 +ATOM 3515 HA GLU A 220 20.332 16.246 87.303 1.00 0.00 +ATOM 3516 CB GLU A 220 21.174 16.782 85.409 1.00 0.00 +ATOM 3517 HB2 GLU A 220 21.829 17.589 85.736 1.00 0.00 +ATOM 3518 HB3 GLU A 220 20.799 17.005 84.410 1.00 0.00 +ATOM 3519 CG GLU A 220 22.093 15.550 85.349 1.00 0.00 +ATOM 3520 HG2 GLU A 220 22.655 15.627 84.418 1.00 0.00 +ATOM 3521 HG3 GLU A 220 21.482 14.657 85.216 1.00 0.00 +ATOM 3522 CD GLU A 220 22.898 15.378 86.665 1.00 0.00 +ATOM 3523 OE1 GLU A 220 22.403 14.600 87.562 1.00 0.00 +ATOM 3524 OE2 GLU A 220 23.950 16.005 86.832 1.00 0.00 +ATOM 3525 C GLU A 220 19.169 17.838 86.569 1.00 0.00 +ATOM 3526 O GLU A 220 19.723 18.938 86.749 1.00 0.00 +ATOM 3527 N CYS A 221 17.857 17.800 86.752 1.00 0.00 +ATOM 3528 H CYS A 221 17.523 16.857 86.889 1.00 0.00 +ATOM 3529 CA CYS A 221 17.063 18.953 86.996 1.00 0.00 +ATOM 3530 HA CYS A 221 17.510 19.790 86.460 1.00 0.00 +ATOM 3531 CB CYS A 221 15.696 18.664 86.270 1.00 0.00 +ATOM 3532 HB2 CYS A 221 15.929 18.483 85.220 1.00 0.00 +ATOM 3533 HB3 CYS A 221 15.097 17.865 86.706 1.00 0.00 +ATOM 3534 SG CYS A 221 14.617 20.169 86.214 1.00 0.00 +ATOM 3535 HG CYS A 221 14.577 20.424 87.524 1.00 0.00 +ATOM 3536 C CYS A 221 16.843 19.302 88.518 1.00 0.00 +ATOM 3537 O CYS A 221 16.310 18.460 89.215 1.00 0.00 +ATOM 3538 N PRO A 222 17.065 20.561 88.992 1.00 0.00 +ATOM 3539 CA PRO A 222 16.497 21.220 90.162 1.00 0.00 +ATOM 3540 HA PRO A 222 16.638 20.538 91.000 1.00 0.00 +ATOM 3541 CD PRO A 222 17.803 21.566 88.260 1.00 0.00 +ATOM 3542 HD2 PRO A 222 17.343 21.849 87.314 1.00 0.00 +ATOM 3543 HD3 PRO A 222 18.777 21.127 88.046 1.00 0.00 +ATOM 3544 CB PRO A 222 17.270 22.577 90.442 1.00 0.00 +ATOM 3545 HB2 PRO A 222 16.584 23.414 90.572 1.00 0.00 +ATOM 3546 HB3 PRO A 222 17.868 22.422 91.340 1.00 0.00 +ATOM 3547 CG PRO A 222 18.147 22.787 89.180 1.00 0.00 +ATOM 3548 HG2 PRO A 222 17.888 23.608 88.511 1.00 0.00 +ATOM 3549 HG3 PRO A 222 19.203 22.654 89.414 1.00 0.00 +ATOM 3550 C PRO A 222 14.999 21.362 90.081 1.00 0.00 +ATOM 3551 O PRO A 222 14.471 21.534 88.987 1.00 0.00 +ATOM 3552 N GLU A 223 14.302 21.452 91.188 1.00 0.00 +ATOM 3553 H GLU A 223 14.786 21.264 92.054 1.00 0.00 +ATOM 3554 CA GLU A 223 12.853 21.332 91.265 1.00 0.00 +ATOM 3555 HA GLU A 223 12.476 20.592 90.559 1.00 0.00 +ATOM 3556 CB GLU A 223 12.414 20.808 92.609 1.00 0.00 +ATOM 3557 HB2 GLU A 223 12.876 21.403 93.396 1.00 0.00 +ATOM 3558 HB3 GLU A 223 11.330 20.880 92.688 1.00 0.00 +ATOM 3559 CG GLU A 223 12.864 19.416 93.001 1.00 0.00 +ATOM 3560 HG2 GLU A 223 13.156 18.744 92.193 1.00 0.00 +ATOM 3561 HG3 GLU A 223 12.045 18.769 93.315 1.00 0.00 +ATOM 3562 CD GLU A 223 13.898 19.445 94.198 1.00 0.00 +ATOM 3563 OE1 GLU A 223 15.113 19.684 93.896 1.00 0.00 +ATOM 3564 OE2 GLU A 223 13.487 19.285 95.349 1.00 0.00 +ATOM 3565 C GLU A 223 12.116 22.675 90.981 1.00 0.00 +ATOM 3566 O GLU A 223 10.967 22.714 90.518 1.00 0.00 +ATOM 3567 N SER A 224 12.821 23.813 91.232 1.00 0.00 +ATOM 3568 H SER A 224 13.737 23.675 91.634 1.00 0.00 +ATOM 3569 CA SER A 224 12.383 25.133 90.893 1.00 0.00 +ATOM 3570 HA SER A 224 11.360 25.279 91.240 1.00 0.00 +ATOM 3571 CB SER A 224 13.395 26.211 91.440 1.00 0.00 +ATOM 3572 HB2 SER A 224 13.339 27.212 91.015 1.00 0.00 +ATOM 3573 HB3 SER A 224 13.158 26.250 92.504 1.00 0.00 +ATOM 3574 OG SER A 224 14.737 25.756 91.350 1.00 0.00 +ATOM 3575 HG SER A 224 15.247 26.161 92.055 1.00 0.00 +ATOM 3576 C SER A 224 12.272 25.237 89.319 1.00 0.00 +ATOM 3577 O SER A 224 11.343 25.935 88.867 1.00 0.00 +ATOM 3578 N LEU A 225 13.018 24.375 88.542 1.00 0.00 +ATOM 3579 H LEU A 225 13.615 23.719 89.026 1.00 0.00 +ATOM 3580 CA LEU A 225 13.072 24.428 87.132 1.00 0.00 +ATOM 3581 HA LEU A 225 12.885 25.437 86.764 1.00 0.00 +ATOM 3582 CB LEU A 225 14.563 24.220 86.688 1.00 0.00 +ATOM 3583 HB2 LEU A 225 15.017 23.334 87.132 1.00 0.00 +ATOM 3584 HB3 LEU A 225 15.186 25.085 86.916 1.00 0.00 +ATOM 3585 CG LEU A 225 14.731 24.067 85.116 1.00 0.00 +ATOM 3586 HG LEU A 225 14.254 23.180 84.701 1.00 0.00 +ATOM 3587 CD1 LEU A 225 14.298 25.304 84.263 1.00 0.00 +ATOM 3588 HD11 LEU A 225 13.212 25.383 84.306 1.00 0.00 +ATOM 3589 HD12 LEU A 225 14.566 25.260 83.207 1.00 0.00 +ATOM 3590 HD13 LEU A 225 14.643 26.247 84.687 1.00 0.00 +ATOM 3591 CD2 LEU A 225 16.231 24.057 84.848 1.00 0.00 +ATOM 3592 HD21 LEU A 225 16.697 23.202 85.339 1.00 0.00 +ATOM 3593 HD22 LEU A 225 16.517 24.058 83.796 1.00 0.00 +ATOM 3594 HD23 LEU A 225 16.773 24.927 85.217 1.00 0.00 +ATOM 3595 C LEU A 225 11.967 23.538 86.519 1.00 0.00 +ATOM 3596 O LEU A 225 11.375 23.960 85.540 1.00 0.00 +ATOM 3597 N HIS A 226 11.598 22.430 87.166 1.00 0.00 +ATOM 3598 H HIS A 226 12.131 22.243 88.002 1.00 0.00 +ATOM 3599 CA HIS A 226 10.499 21.565 86.711 1.00 0.00 +ATOM 3600 HA HIS A 226 10.375 21.687 85.635 1.00 0.00 +ATOM 3601 ND1 HIS A 226 8.459 18.729 87.099 1.00 0.00 +ATOM 3602 CG HIS A 226 9.585 19.221 86.384 1.00 0.00 +ATOM 3603 CB HIS A 226 10.705 20.043 86.944 1.00 0.00 +ATOM 3604 HB2 HIS A 226 10.779 19.923 88.025 1.00 0.00 +ATOM 3605 HB3 HIS A 226 11.669 19.693 86.575 1.00 0.00 +ATOM 3606 NE2 HIS A 226 8.360 17.891 85.102 1.00 0.00 +ATOM 3607 HE2 HIS A 226 8.005 17.396 84.296 1.00 0.00 +ATOM 3608 CD2 HIS A 226 9.463 18.698 85.107 1.00 0.00 +ATOM 3609 HD2 HIS A 226 10.145 18.803 84.275 1.00 0.00 +ATOM 3610 CE1 HIS A 226 7.725 18.023 86.262 1.00 0.00 +ATOM 3611 HE1 HIS A 226 6.764 17.559 86.428 1.00 0.00 +ATOM 3612 C HIS A 226 9.145 22.040 87.251 1.00 0.00 +ATOM 3613 O HIS A 226 8.170 21.942 86.506 1.00 0.00 +ATOM 3614 N ASP A 227 9.006 22.653 88.415 1.00 0.00 +ATOM 3615 H ASP A 227 9.837 22.715 88.987 1.00 0.00 +ATOM 3616 CA ASP A 227 7.862 23.419 88.801 1.00 0.00 +ATOM 3617 HA ASP A 227 6.970 22.811 88.653 1.00 0.00 +ATOM 3618 CB ASP A 227 7.891 23.894 90.230 1.00 0.00 +ATOM 3619 HB2 ASP A 227 8.389 23.096 90.780 1.00 0.00 +ATOM 3620 HB3 ASP A 227 8.682 24.643 90.246 1.00 0.00 +ATOM 3621 CG ASP A 227 6.504 24.330 90.711 1.00 0.00 +ATOM 3622 OD1 ASP A 227 5.828 23.533 91.456 1.00 0.00 +ATOM 3623 OD2 ASP A 227 6.262 25.527 90.572 1.00 0.00 +ATOM 3624 C ASP A 227 7.608 24.575 87.847 1.00 0.00 +ATOM 3625 O ASP A 227 6.454 24.851 87.556 1.00 0.00 +ATOM 3626 N LEU A 228 8.660 25.198 87.269 1.00 0.00 +ATOM 3627 H LEU A 228 9.601 25.039 87.599 1.00 0.00 +ATOM 3628 CA LEU A 228 8.569 26.202 86.181 1.00 0.00 +ATOM 3629 HA LEU A 228 7.702 26.845 86.330 1.00 0.00 +ATOM 3630 CB LEU A 228 9.754 27.108 86.114 1.00 0.00 +ATOM 3631 HB2 LEU A 228 10.636 26.499 85.918 1.00 0.00 +ATOM 3632 HB3 LEU A 228 9.915 27.577 87.085 1.00 0.00 +ATOM 3633 CG LEU A 228 9.651 28.172 84.998 1.00 0.00 +ATOM 3634 HG LEU A 228 9.405 27.602 84.101 1.00 0.00 +ATOM 3635 CD1 LEU A 228 8.583 29.155 85.303 1.00 0.00 +ATOM 3636 HD11 LEU A 228 7.581 28.736 85.219 1.00 0.00 +ATOM 3637 HD12 LEU A 228 8.737 29.938 84.560 1.00 0.00 +ATOM 3638 HD13 LEU A 228 8.688 29.487 86.336 1.00 0.00 +ATOM 3639 CD2 LEU A 228 11.035 28.736 84.852 1.00 0.00 +ATOM 3640 HD21 LEU A 228 11.854 28.018 84.817 1.00 0.00 +ATOM 3641 HD22 LEU A 228 11.141 29.353 83.960 1.00 0.00 +ATOM 3642 HD23 LEU A 228 11.244 29.321 85.748 1.00 0.00 +ATOM 3643 C LEU A 228 8.253 25.544 84.829 1.00 0.00 +ATOM 3644 O LEU A 228 7.365 26.074 84.167 1.00 0.00 +ATOM 3645 N MET A 229 8.690 24.292 84.548 1.00 0.00 +ATOM 3646 H MET A 229 9.395 23.867 85.133 1.00 0.00 +ATOM 3647 CA MET A 229 8.028 23.511 83.450 1.00 0.00 +ATOM 3648 HA MET A 229 8.091 24.059 82.509 1.00 0.00 +ATOM 3649 CB MET A 229 8.929 22.231 83.204 1.00 0.00 +ATOM 3650 HB2 MET A 229 8.873 21.498 84.008 1.00 0.00 +ATOM 3651 HB3 MET A 229 8.414 21.682 82.416 1.00 0.00 +ATOM 3652 CG MET A 229 10.414 22.452 82.772 1.00 0.00 +ATOM 3653 HG2 MET A 229 10.945 22.781 83.665 1.00 0.00 +ATOM 3654 HG3 MET A 229 10.596 23.233 82.035 1.00 0.00 +ATOM 3655 SD MET A 229 11.229 20.987 82.098 1.00 0.00 +ATOM 3656 CE MET A 229 12.864 21.148 82.917 1.00 0.00 +ATOM 3657 HE1 MET A 229 12.665 20.673 83.878 1.00 0.00 +ATOM 3658 HE2 MET A 229 13.078 22.207 83.061 1.00 0.00 +ATOM 3659 HE3 MET A 229 13.669 20.729 82.314 1.00 0.00 +ATOM 3660 C MET A 229 6.554 23.280 83.651 1.00 0.00 +ATOM 3661 O MET A 229 5.798 23.336 82.703 1.00 0.00 +ATOM 3662 N CYS A 230 6.142 22.886 84.858 1.00 0.00 +ATOM 3663 H CYS A 230 6.785 22.843 85.636 1.00 0.00 +ATOM 3664 CA CYS A 230 4.702 22.679 85.074 1.00 0.00 +ATOM 3665 HA CYS A 230 4.326 21.934 84.373 1.00 0.00 +ATOM 3666 CB CYS A 230 4.420 22.100 86.456 1.00 0.00 +ATOM 3667 HB2 CYS A 230 4.677 22.882 87.170 1.00 0.00 +ATOM 3668 HB3 CYS A 230 3.370 21.888 86.657 1.00 0.00 +ATOM 3669 SG CYS A 230 5.293 20.499 86.770 1.00 0.00 +ATOM 3670 HG CYS A 230 6.562 20.892 86.624 1.00 0.00 +ATOM 3671 C CYS A 230 3.893 23.986 84.959 1.00 0.00 +ATOM 3672 O CYS A 230 2.799 23.958 84.424 1.00 0.00 +ATOM 3673 N GLN A 231 4.386 25.167 85.356 1.00 0.00 +ATOM 3674 H GLN A 231 5.097 25.044 86.062 1.00 0.00 +ATOM 3675 CA GLN A 231 3.697 26.409 85.032 1.00 0.00 +ATOM 3676 HA GLN A 231 2.685 26.239 85.399 1.00 0.00 +ATOM 3677 CB GLN A 231 4.342 27.592 85.741 1.00 0.00 +ATOM 3678 HB2 GLN A 231 3.858 28.476 85.326 1.00 0.00 +ATOM 3679 HB3 GLN A 231 5.410 27.482 85.552 1.00 0.00 +ATOM 3680 CG GLN A 231 4.098 27.599 87.324 1.00 0.00 +ATOM 3681 HG2 GLN A 231 3.036 27.828 87.419 1.00 0.00 +ATOM 3682 HG3 GLN A 231 4.269 26.577 87.662 1.00 0.00 +ATOM 3683 CD GLN A 231 5.029 28.626 88.033 1.00 0.00 +ATOM 3684 OE1 GLN A 231 4.987 29.820 87.644 1.00 0.00 +ATOM 3685 NE2 GLN A 231 5.741 28.161 89.079 1.00 0.00 +ATOM 3686 HE21 GLN A 231 6.433 28.752 89.518 1.00 0.00 +ATOM 3687 HE22 GLN A 231 5.771 27.169 89.269 1.00 0.00 +ATOM 3688 C GLN A 231 3.693 26.664 83.501 1.00 0.00 +ATOM 3689 O GLN A 231 2.756 27.286 82.996 1.00 0.00 +ATOM 3690 N CYS A 232 4.612 26.028 82.687 1.00 0.00 +ATOM 3691 H CYS A 232 5.237 25.475 83.257 1.00 0.00 +ATOM 3692 CA CYS A 232 4.546 26.222 81.250 1.00 0.00 +ATOM 3693 HA CYS A 232 4.145 27.209 81.023 1.00 0.00 +ATOM 3694 CB CYS A 232 5.950 26.134 80.643 1.00 0.00 +ATOM 3695 HB2 CYS A 232 6.316 25.123 80.817 1.00 0.00 +ATOM 3696 HB3 CYS A 232 5.827 26.250 79.566 1.00 0.00 +ATOM 3697 SG CYS A 232 7.016 27.455 81.270 1.00 0.00 +ATOM 3698 HG CYS A 232 7.058 27.131 82.565 1.00 0.00 +ATOM 3699 C CYS A 232 3.494 25.257 80.672 1.00 0.00 +ATOM 3700 O CYS A 232 3.193 25.251 79.491 1.00 0.00 +ATOM 3701 N TRP A 233 2.833 24.417 81.513 1.00 0.00 +ATOM 3702 H TRP A 233 2.965 24.506 82.511 1.00 0.00 +ATOM 3703 CA TRP A 233 2.008 23.256 81.073 1.00 0.00 +ATOM 3704 HA TRP A 233 1.830 23.389 80.006 1.00 0.00 +ATOM 3705 CB TRP A 233 2.675 21.844 81.099 1.00 0.00 +ATOM 3706 HB2 TRP A 233 1.961 21.218 80.564 1.00 0.00 +ATOM 3707 HB3 TRP A 233 2.642 21.499 82.132 1.00 0.00 +ATOM 3708 CG TRP A 233 4.015 21.532 80.577 1.00 0.00 +ATOM 3709 CD2 TRP A 233 5.072 20.623 81.148 1.00 0.00 +ATOM 3710 CD1 TRP A 233 4.567 22.046 79.452 1.00 0.00 +ATOM 3711 HD1 TRP A 233 4.040 22.739 78.813 1.00 0.00 +ATOM 3712 NE1 TRP A 233 5.852 21.506 79.256 1.00 0.00 +ATOM 3713 HE1 TRP A 233 6.360 21.689 78.402 1.00 0.00 +ATOM 3714 CE2 TRP A 233 6.213 20.709 80.285 1.00 0.00 +ATOM 3715 CE3 TRP A 233 5.130 19.821 82.285 1.00 0.00 +ATOM 3716 HE3 TRP A 233 4.274 19.791 82.943 1.00 0.00 +ATOM 3717 CZ2 TRP A 233 7.367 19.965 80.511 1.00 0.00 +ATOM 3718 HZ2 TRP A 233 8.258 19.960 79.901 1.00 0.00 +ATOM 3719 CZ3 TRP A 233 6.264 19.050 82.485 1.00 0.00 +ATOM 3720 HZ3 TRP A 233 6.272 18.283 83.246 1.00 0.00 +ATOM 3721 CH2 TRP A 233 7.333 19.051 81.579 1.00 0.00 +ATOM 3722 HH2 TRP A 233 8.174 18.406 81.788 1.00 0.00 +ATOM 3723 C TRP A 233 0.616 23.242 81.682 1.00 0.00 +ATOM 3724 O TRP A 233 -0.007 22.202 81.640 1.00 0.00 +ATOM 3725 N ARG A 234 0.107 24.362 82.263 1.00 0.00 +ATOM 3726 H ARG A 234 0.717 25.166 82.221 1.00 0.00 +ATOM 3727 CA ARG A 234 -1.221 24.493 82.917 1.00 0.00 +ATOM 3728 HA ARG A 234 -1.526 23.544 83.357 1.00 0.00 +ATOM 3729 CB ARG A 234 -1.060 25.504 84.106 1.00 0.00 +ATOM 3730 HB2 ARG A 234 -0.156 25.257 84.662 1.00 0.00 +ATOM 3731 HB3 ARG A 234 -1.899 25.405 84.794 1.00 0.00 +ATOM 3732 CG ARG A 234 -1.030 26.994 83.809 1.00 0.00 +ATOM 3733 HG2 ARG A 234 -1.825 27.305 83.131 1.00 0.00 +ATOM 3734 HG3 ARG A 234 -0.145 27.075 83.178 1.00 0.00 +ATOM 3735 CD ARG A 234 -1.065 27.714 85.157 1.00 0.00 +ATOM 3736 HD2 ARG A 234 -0.398 27.253 85.886 1.00 0.00 +ATOM 3737 HD3 ARG A 234 -0.711 28.731 84.986 1.00 0.00 +ATOM 3738 NE ARG A 234 -2.430 27.887 85.657 1.00 0.00 +ATOM 3739 HE ARG A 234 -3.166 27.973 84.970 1.00 0.00 +ATOM 3740 CZ ARG A 234 -2.853 27.807 86.906 1.00 0.00 +ATOM 3741 NH1 ARG A 234 -2.009 27.848 87.950 1.00 0.00 +ATOM 3742 HH11 ARG A 234 -1.036 28.034 87.754 1.00 0.00 +ATOM 3743 HH12 ARG A 234 -2.306 27.879 88.915 1.00 0.00 +ATOM 3744 NH2 ARG A 234 -4.092 27.586 87.153 1.00 0.00 +ATOM 3745 HH21 ARG A 234 -4.779 27.957 86.511 1.00 0.00 +ATOM 3746 HH22 ARG A 234 -4.455 27.173 88.000 1.00 0.00 +ATOM 3747 C ARG A 234 -2.384 24.681 81.961 1.00 0.00 +ATOM 3748 O ARG A 234 -2.123 25.149 80.851 1.00 0.00 +ATOM 3749 N LYS A 235 -3.619 24.356 82.433 1.00 0.00 +ATOM 3750 H LYS A 235 -3.654 24.125 83.415 1.00 0.00 +ATOM 3751 CA LYS A 235 -4.818 24.091 81.668 1.00 0.00 +ATOM 3752 HA LYS A 235 -4.481 23.382 80.912 1.00 0.00 +ATOM 3753 CB LYS A 235 -5.948 23.615 82.603 1.00 0.00 +ATOM 3754 HB2 LYS A 235 -6.151 24.265 83.454 1.00 0.00 +ATOM 3755 HB3 LYS A 235 -5.608 22.718 83.121 1.00 0.00 +ATOM 3756 CG LYS A 235 -7.214 23.228 81.898 1.00 0.00 +ATOM 3757 HG2 LYS A 235 -6.733 22.573 81.172 1.00 0.00 +ATOM 3758 HG3 LYS A 235 -7.604 24.168 81.506 1.00 0.00 +ATOM 3759 CD LYS A 235 -8.209 22.405 82.796 1.00 0.00 +ATOM 3760 HD2 LYS A 235 -7.639 21.603 83.266 1.00 0.00 +ATOM 3761 HD3 LYS A 235 -8.985 22.054 82.115 1.00 0.00 +ATOM 3762 CE LYS A 235 -8.837 23.192 83.939 1.00 0.00 +ATOM 3763 HE2 LYS A 235 -8.078 23.559 84.631 1.00 0.00 +ATOM 3764 HE3 LYS A 235 -9.473 22.544 84.543 1.00 0.00 +ATOM 3765 NZ LYS A 235 -9.688 24.340 83.430 1.00 0.00 +ATOM 3766 HZ1 LYS A 235 -9.191 25.101 82.990 1.00 0.00 +ATOM 3767 HZ2 LYS A 235 -10.142 24.803 84.204 1.00 0.00 +ATOM 3768 HZ3 LYS A 235 -10.357 24.158 82.696 1.00 0.00 +ATOM 3769 C LYS A 235 -5.352 25.316 80.904 1.00 0.00 +ATOM 3770 O LYS A 235 -5.764 25.110 79.786 1.00 0.00 +ATOM 3771 N GLU A 236 -5.344 26.602 81.392 1.00 0.00 +ATOM 3772 H GLU A 236 -5.152 26.740 82.374 1.00 0.00 +ATOM 3773 CA GLU A 236 -5.620 27.801 80.532 1.00 0.00 +ATOM 3774 HA GLU A 236 -6.315 27.337 79.832 1.00 0.00 +ATOM 3775 CB GLU A 236 -6.253 28.923 81.315 1.00 0.00 +ATOM 3776 HB2 GLU A 236 -5.551 29.271 82.073 1.00 0.00 +ATOM 3777 HB3 GLU A 236 -6.403 29.758 80.631 1.00 0.00 +ATOM 3778 CG GLU A 236 -7.531 28.680 82.174 1.00 0.00 +ATOM 3779 HG2 GLU A 236 -7.426 28.253 83.172 1.00 0.00 +ATOM 3780 HG3 GLU A 236 -7.965 29.665 82.345 1.00 0.00 +ATOM 3781 CD GLU A 236 -8.602 27.804 81.466 1.00 0.00 +ATOM 3782 OE1 GLU A 236 -8.974 26.729 82.071 1.00 0.00 +ATOM 3783 OE2 GLU A 236 -8.932 28.105 80.293 1.00 0.00 +ATOM 3784 C GLU A 236 -4.416 28.285 79.745 1.00 0.00 +ATOM 3785 O GLU A 236 -3.359 28.490 80.312 1.00 0.00 +ATOM 3786 N PRO A 237 -4.609 28.652 78.440 1.00 0.00 +ATOM 3787 CA PRO A 237 -3.564 29.493 77.702 1.00 0.00 +ATOM 3788 HA PRO A 237 -2.634 28.932 77.790 1.00 0.00 +ATOM 3789 CD PRO A 237 -5.721 28.405 77.548 1.00 0.00 +ATOM 3790 HD2 PRO A 237 -6.674 28.605 78.039 1.00 0.00 +ATOM 3791 HD3 PRO A 237 -5.689 27.393 77.147 1.00 0.00 +ATOM 3792 CB PRO A 237 -4.020 29.402 76.212 1.00 0.00 +ATOM 3793 HB2 PRO A 237 -3.668 28.509 75.695 1.00 0.00 +ATOM 3794 HB3 PRO A 237 -3.632 30.279 75.696 1.00 0.00 +ATOM 3795 CG PRO A 237 -5.542 29.350 76.362 1.00 0.00 +ATOM 3796 HG2 PRO A 237 -6.131 28.906 75.560 1.00 0.00 +ATOM 3797 HG3 PRO A 237 -6.043 30.308 76.500 1.00 0.00 +ATOM 3798 C PRO A 237 -3.454 30.931 78.320 1.00 0.00 +ATOM 3799 O PRO A 237 -2.385 31.408 78.039 1.00 0.00 +ATOM 3800 N GLU A 238 -4.343 31.496 79.116 1.00 0.00 +ATOM 3801 H GLU A 238 -5.286 31.145 79.210 1.00 0.00 +ATOM 3802 CA GLU A 238 -4.061 32.860 79.568 1.00 0.00 +ATOM 3803 HA GLU A 238 -3.604 33.510 78.821 1.00 0.00 +ATOM 3804 CB GLU A 238 -5.408 33.469 79.909 1.00 0.00 +ATOM 3805 HB2 GLU A 238 -5.794 32.827 80.700 1.00 0.00 +ATOM 3806 HB3 GLU A 238 -6.127 33.390 79.093 1.00 0.00 +ATOM 3807 CG GLU A 238 -5.365 34.932 80.375 1.00 0.00 +ATOM 3808 HG2 GLU A 238 -6.424 35.156 80.503 1.00 0.00 +ATOM 3809 HG3 GLU A 238 -5.019 35.168 81.382 1.00 0.00 +ATOM 3810 CD GLU A 238 -4.817 35.883 79.231 1.00 0.00 +ATOM 3811 OE1 GLU A 238 -5.640 36.501 78.570 1.00 0.00 +ATOM 3812 OE2 GLU A 238 -3.625 35.909 78.957 1.00 0.00 +ATOM 3813 C GLU A 238 -3.154 32.865 80.808 1.00 0.00 +ATOM 3814 O GLU A 238 -2.437 33.786 81.136 1.00 0.00 +ATOM 3815 N GLU A 239 -3.076 31.701 81.421 1.00 0.00 +ATOM 3816 H GLU A 239 -3.474 30.897 80.958 1.00 0.00 +ATOM 3817 CA GLU A 239 -2.339 31.410 82.689 1.00 0.00 +ATOM 3818 HA GLU A 239 -2.103 32.353 83.182 1.00 0.00 +ATOM 3819 CB GLU A 239 -3.029 30.505 83.742 1.00 0.00 +ATOM 3820 HB2 GLU A 239 -2.406 30.408 84.632 1.00 0.00 +ATOM 3821 HB3 GLU A 239 -3.256 29.556 83.257 1.00 0.00 +ATOM 3822 CG GLU A 239 -4.258 31.256 84.261 1.00 0.00 +ATOM 3823 HG2 GLU A 239 -4.974 31.327 83.441 1.00 0.00 +ATOM 3824 HG3 GLU A 239 -3.966 32.260 84.566 1.00 0.00 +ATOM 3825 CD GLU A 239 -5.067 30.491 85.369 1.00 0.00 +ATOM 3826 OE1 GLU A 239 -5.405 29.302 85.242 1.00 0.00 +ATOM 3827 OE2 GLU A 239 -5.502 31.004 86.514 1.00 0.00 +ATOM 3828 C GLU A 239 -0.869 30.837 82.451 1.00 0.00 +ATOM 3829 O GLU A 239 -0.012 30.879 83.389 1.00 0.00 +ATOM 3830 N ARG A 240 -0.542 30.431 81.208 1.00 0.00 +ATOM 3831 H ARG A 240 -1.194 30.475 80.438 1.00 0.00 +ATOM 3832 CA ARG A 240 0.833 30.252 80.811 1.00 0.00 +ATOM 3833 HA ARG A 240 1.372 29.600 81.499 1.00 0.00 +ATOM 3834 CB ARG A 240 0.994 29.548 79.474 1.00 0.00 +ATOM 3835 HB2 ARG A 240 0.272 29.899 78.738 1.00 0.00 +ATOM 3836 HB3 ARG A 240 1.997 29.829 79.151 1.00 0.00 +ATOM 3837 CG ARG A 240 1.127 28.007 79.568 1.00 0.00 +ATOM 3838 HG2 ARG A 240 1.624 27.746 80.502 1.00 0.00 +ATOM 3839 HG3 ARG A 240 1.838 27.683 78.808 1.00 0.00 +ATOM 3840 CD ARG A 240 -0.247 27.231 79.417 1.00 0.00 +ATOM 3841 HD2 ARG A 240 -0.004 26.221 79.745 1.00 0.00 +ATOM 3842 HD3 ARG A 240 -1.011 27.579 80.113 1.00 0.00 +ATOM 3843 NE ARG A 240 -0.694 27.193 78.005 1.00 0.00 +ATOM 3844 HE ARG A 240 -0.088 27.645 77.335 1.00 0.00 +ATOM 3845 CZ ARG A 240 -1.791 26.644 77.451 1.00 0.00 +ATOM 3846 NH1 ARG A 240 -2.637 26.001 78.175 1.00 0.00 +ATOM 3847 HH11 ARG A 240 -2.363 25.850 79.135 1.00 0.00 +ATOM 3848 HH12 ARG A 240 -3.486 25.620 77.781 1.00 0.00 +ATOM 3849 NH2 ARG A 240 -1.903 26.655 76.154 1.00 0.00 +ATOM 3850 HH21 ARG A 240 -2.704 26.227 75.713 1.00 0.00 +ATOM 3851 HH22 ARG A 240 -1.208 27.025 75.521 1.00 0.00 +ATOM 3852 C ARG A 240 1.548 31.571 80.897 1.00 0.00 +ATOM 3853 O ARG A 240 0.865 32.576 80.646 1.00 0.00 +ATOM 3854 N PRO A 241 2.884 31.581 81.130 1.00 0.00 +ATOM 3855 CA PRO A 241 3.705 32.829 81.089 1.00 0.00 +ATOM 3856 HA PRO A 241 3.334 33.582 81.785 1.00 0.00 +ATOM 3857 CD PRO A 241 3.796 30.469 81.307 1.00 0.00 +ATOM 3858 HD2 PRO A 241 3.713 29.784 80.463 1.00 0.00 +ATOM 3859 HD3 PRO A 241 3.646 29.918 82.235 1.00 0.00 +ATOM 3860 CB PRO A 241 5.065 32.475 81.723 1.00 0.00 +ATOM 3861 HB2 PRO A 241 5.837 33.104 81.280 1.00 0.00 +ATOM 3862 HB3 PRO A 241 4.963 32.569 82.804 1.00 0.00 +ATOM 3863 CG PRO A 241 5.210 31.006 81.382 1.00 0.00 +ATOM 3864 HG2 PRO A 241 5.748 30.671 80.495 1.00 0.00 +ATOM 3865 HG3 PRO A 241 5.776 30.451 82.130 1.00 0.00 +ATOM 3866 C PRO A 241 3.791 33.400 79.733 1.00 0.00 +ATOM 3867 O PRO A 241 3.812 32.691 78.718 1.00 0.00 +ATOM 3868 N THR A 242 4.100 34.668 79.670 1.00 0.00 +ATOM 3869 H THR A 242 4.049 35.291 80.463 1.00 0.00 +ATOM 3870 CA THR A 242 4.876 35.278 78.517 1.00 0.00 +ATOM 3871 HA THR A 242 4.332 34.847 77.677 1.00 0.00 +ATOM 3872 CB THR A 242 4.751 36.803 78.451 1.00 0.00 +ATOM 3873 HB THR A 242 5.543 37.300 77.892 1.00 0.00 +ATOM 3874 OG1 THR A 242 4.753 37.232 79.737 1.00 0.00 +ATOM 3875 HG1 THR A 242 4.299 38.063 79.897 1.00 0.00 +ATOM 3876 CG2 THR A 242 3.374 37.174 77.939 1.00 0.00 +ATOM 3877 HG21 THR A 242 2.639 36.938 78.708 1.00 0.00 +ATOM 3878 HG22 THR A 242 3.124 36.729 76.976 1.00 0.00 +ATOM 3879 HG23 THR A 242 3.318 38.261 77.870 1.00 0.00 +ATOM 3880 C THR A 242 6.259 34.818 78.399 1.00 0.00 +ATOM 3881 O THR A 242 6.885 34.518 79.377 1.00 0.00 +ATOM 3882 N PHE A 243 6.808 34.881 77.180 1.00 0.00 +ATOM 3883 H PHE A 243 6.140 35.049 76.442 1.00 0.00 +ATOM 3884 CA PHE A 243 8.304 34.790 76.923 1.00 0.00 +ATOM 3885 HA PHE A 243 8.684 33.858 77.343 1.00 0.00 +ATOM 3886 CB PHE A 243 8.534 34.608 75.403 1.00 0.00 +ATOM 3887 HB2 PHE A 243 9.575 34.836 75.170 1.00 0.00 +ATOM 3888 HB3 PHE A 243 7.954 35.293 74.785 1.00 0.00 +ATOM 3889 CG PHE A 243 8.288 33.180 74.843 1.00 0.00 +ATOM 3890 CD1 PHE A 243 9.080 32.089 75.185 1.00 0.00 +ATOM 3891 HD1 PHE A 243 9.828 32.212 75.954 1.00 0.00 +ATOM 3892 CD2 PHE A 243 7.225 33.005 73.907 1.00 0.00 +ATOM 3893 HD2 PHE A 243 6.711 33.853 73.480 1.00 0.00 +ATOM 3894 CE1 PHE A 243 8.858 30.804 74.659 1.00 0.00 +ATOM 3895 HE1 PHE A 243 9.562 30.029 74.924 1.00 0.00 +ATOM 3896 CE2 PHE A 243 7.031 31.763 73.359 1.00 0.00 +ATOM 3897 HE2 PHE A 243 6.335 31.559 72.559 1.00 0.00 +ATOM 3898 CZ PHE A 243 7.882 30.676 73.697 1.00 0.00 +ATOM 3899 HZ PHE A 243 7.643 29.693 73.321 1.00 0.00 +ATOM 3900 C PHE A 243 9.099 35.920 77.577 1.00 0.00 +ATOM 3901 O PHE A 243 10.211 35.774 78.039 1.00 0.00 +ATOM 3902 N GLU A 244 8.510 37.027 77.691 1.00 0.00 +ATOM 3903 H GLU A 244 7.661 37.244 77.189 1.00 0.00 +ATOM 3904 CA GLU A 244 9.022 38.126 78.440 1.00 0.00 +ATOM 3905 HA GLU A 244 10.033 38.289 78.067 1.00 0.00 +ATOM 3906 CB GLU A 244 8.173 39.353 78.172 1.00 0.00 +ATOM 3907 HB2 GLU A 244 7.223 39.190 78.680 1.00 0.00 +ATOM 3908 HB3 GLU A 244 8.073 39.570 77.109 1.00 0.00 +ATOM 3909 CG GLU A 244 8.783 40.676 78.877 1.00 0.00 +ATOM 3910 HG2 GLU A 244 9.388 40.364 79.728 1.00 0.00 +ATOM 3911 HG3 GLU A 244 7.917 41.265 79.179 1.00 0.00 +ATOM 3912 CD GLU A 244 9.710 41.453 77.983 1.00 0.00 +ATOM 3913 OE1 GLU A 244 9.654 42.709 78.025 1.00 0.00 +ATOM 3914 OE2 GLU A 244 10.489 40.912 77.127 1.00 0.00 +ATOM 3915 C GLU A 244 9.101 37.797 79.922 1.00 0.00 +ATOM 3916 O GLU A 244 10.116 37.940 80.653 1.00 0.00 +ATOM 3917 N TYR A 245 8.018 37.322 80.477 1.00 0.00 +ATOM 3918 H TYR A 245 7.207 37.193 79.890 1.00 0.00 +ATOM 3919 CA TYR A 245 7.900 36.941 81.880 1.00 0.00 +ATOM 3920 HA TYR A 245 8.217 37.765 82.519 1.00 0.00 +ATOM 3921 CB TYR A 245 6.432 36.646 82.148 1.00 0.00 +ATOM 3922 HB2 TYR A 245 6.195 35.727 81.612 1.00 0.00 +ATOM 3923 HB3 TYR A 245 5.921 37.527 81.758 1.00 0.00 +ATOM 3924 CG TYR A 245 5.999 36.437 83.643 1.00 0.00 +ATOM 3925 CD1 TYR A 245 5.504 37.499 84.409 1.00 0.00 +ATOM 3926 HD1 TYR A 245 5.273 38.423 83.900 1.00 0.00 +ATOM 3927 CD2 TYR A 245 6.345 35.263 84.348 1.00 0.00 +ATOM 3928 HD2 TYR A 245 6.935 34.511 83.846 1.00 0.00 +ATOM 3929 CE1 TYR A 245 5.066 37.380 85.762 1.00 0.00 +ATOM 3930 HE1 TYR A 245 4.668 38.183 86.365 1.00 0.00 +ATOM 3931 CE2 TYR A 245 5.945 35.105 85.644 1.00 0.00 +ATOM 3932 HE2 TYR A 245 6.031 34.157 86.155 1.00 0.00 +ATOM 3933 CZ TYR A 245 5.302 36.107 86.341 1.00 0.00 +ATOM 3934 OH TYR A 245 4.802 35.959 87.673 1.00 0.00 +ATOM 3935 HH TYR A 245 4.284 36.727 87.924 1.00 0.00 +ATOM 3936 C TYR A 245 8.901 35.828 82.205 1.00 0.00 +ATOM 3937 O TYR A 245 9.569 36.026 83.199 1.00 0.00 +ATOM 3938 N LEU A 246 8.914 34.782 81.387 1.00 0.00 +ATOM 3939 H LEU A 246 8.244 34.842 80.633 1.00 0.00 +ATOM 3940 CA LEU A 246 9.832 33.577 81.536 1.00 0.00 +ATOM 3941 HA LEU A 246 9.657 33.209 82.547 1.00 0.00 +ATOM 3942 CB LEU A 246 9.439 32.534 80.440 1.00 0.00 +ATOM 3943 HB2 LEU A 246 8.351 32.604 80.428 1.00 0.00 +ATOM 3944 HB3 LEU A 246 9.704 32.903 79.449 1.00 0.00 +ATOM 3945 CG LEU A 246 9.883 31.085 80.720 1.00 0.00 +ATOM 3946 HG LEU A 246 10.957 31.105 80.901 1.00 0.00 +ATOM 3947 CD1 LEU A 246 9.184 30.553 81.944 1.00 0.00 +ATOM 3948 HD11 LEU A 246 8.102 30.563 81.813 1.00 0.00 +ATOM 3949 HD12 LEU A 246 9.608 29.558 82.086 1.00 0.00 +ATOM 3950 HD13 LEU A 246 9.585 31.049 82.829 1.00 0.00 +ATOM 3951 CD2 LEU A 246 9.557 30.098 79.633 1.00 0.00 +ATOM 3952 HD21 LEU A 246 9.824 29.057 79.815 1.00 0.00 +ATOM 3953 HD22 LEU A 246 10.023 30.439 78.709 1.00 0.00 +ATOM 3954 HD23 LEU A 246 8.525 30.300 79.345 1.00 0.00 +ATOM 3955 C LEU A 246 11.289 33.923 81.428 1.00 0.00 +ATOM 3956 O LEU A 246 12.044 33.456 82.238 1.00 0.00 +ATOM 3957 N GLN A 247 11.675 34.894 80.586 1.00 0.00 +ATOM 3958 H GLN A 247 10.966 35.391 80.067 1.00 0.00 +ATOM 3959 CA GLN A 247 13.006 35.555 80.509 1.00 0.00 +ATOM 3960 HA GLN A 247 13.745 34.777 80.316 1.00 0.00 +ATOM 3961 CB GLN A 247 12.974 36.550 79.308 1.00 0.00 +ATOM 3962 HB2 GLN A 247 12.838 35.972 78.394 1.00 0.00 +ATOM 3963 HB3 GLN A 247 12.180 37.288 79.427 1.00 0.00 +ATOM 3964 CG GLN A 247 14.249 37.398 79.228 1.00 0.00 +ATOM 3965 HG2 GLN A 247 14.154 38.096 78.396 1.00 0.00 +ATOM 3966 HG3 GLN A 247 14.229 38.001 80.136 1.00 0.00 +ATOM 3967 CD GLN A 247 15.564 36.643 78.873 1.00 0.00 +ATOM 3968 OE1 GLN A 247 15.935 36.520 77.719 1.00 0.00 +ATOM 3969 NE2 GLN A 247 16.218 35.958 79.791 1.00 0.00 +ATOM 3970 HE21 GLN A 247 17.023 35.401 79.540 1.00 0.00 +ATOM 3971 HE22 GLN A 247 15.907 35.899 80.750 1.00 0.00 +ATOM 3972 C GLN A 247 13.375 36.196 81.841 1.00 0.00 +ATOM 3973 O GLN A 247 14.476 35.953 82.336 1.00 0.00 +ATOM 3974 N ALA A 248 12.467 36.910 82.457 1.00 0.00 +ATOM 3975 H ALA A 248 11.603 37.034 81.949 1.00 0.00 +ATOM 3976 CA ALA A 248 12.697 37.613 83.641 1.00 0.00 +ATOM 3977 HA ALA A 248 13.714 38.005 83.643 1.00 0.00 +ATOM 3978 CB ALA A 248 11.693 38.740 83.761 1.00 0.00 +ATOM 3979 HB1 ALA A 248 10.764 38.345 84.173 1.00 0.00 +ATOM 3980 HB2 ALA A 248 11.500 39.170 82.778 1.00 0.00 +ATOM 3981 HB3 ALA A 248 12.062 39.558 84.379 1.00 0.00 +ATOM 3982 C ALA A 248 12.730 36.682 84.870 1.00 0.00 +ATOM 3983 O ALA A 248 13.690 36.858 85.621 1.00 0.00 +ATOM 3984 N PHE A 249 11.867 35.677 84.915 1.00 0.00 +ATOM 3985 H PHE A 249 11.063 35.567 84.313 1.00 0.00 +ATOM 3986 CA PHE A 249 12.135 34.646 85.872 1.00 0.00 +ATOM 3987 HA PHE A 249 12.140 35.183 86.820 1.00 0.00 +ATOM 3988 CB PHE A 249 10.951 33.662 85.985 1.00 0.00 +ATOM 3989 HB2 PHE A 249 10.015 34.214 85.896 1.00 0.00 +ATOM 3990 HB3 PHE A 249 10.966 32.964 85.148 1.00 0.00 +ATOM 3991 CG PHE A 249 10.853 32.835 87.275 1.00 0.00 +ATOM 3992 CD1 PHE A 249 11.497 31.606 87.462 1.00 0.00 +ATOM 3993 HD1 PHE A 249 12.107 31.176 86.683 1.00 0.00 +ATOM 3994 CD2 PHE A 249 9.922 33.233 88.210 1.00 0.00 +ATOM 3995 HD2 PHE A 249 9.442 34.195 88.096 1.00 0.00 +ATOM 3996 CE1 PHE A 249 11.190 30.830 88.553 1.00 0.00 +ATOM 3997 HE1 PHE A 249 11.683 29.871 88.620 1.00 0.00 +ATOM 3998 CE2 PHE A 249 9.638 32.440 89.329 1.00 0.00 +ATOM 3999 HE2 PHE A 249 8.891 32.779 90.031 1.00 0.00 +ATOM 4000 CZ PHE A 249 10.243 31.219 89.488 1.00 0.00 +ATOM 4001 HZ PHE A 249 10.031 30.562 90.318 1.00 0.00 +ATOM 4002 C PHE A 249 13.411 33.756 85.744 1.00 0.00 +ATOM 4003 O PHE A 249 13.995 33.476 86.778 1.00 0.00 +ATOM 4004 N LEU A 250 13.891 33.495 84.525 1.00 0.00 +ATOM 4005 H LEU A 250 13.284 33.690 83.742 1.00 0.00 +ATOM 4006 CA LEU A 250 15.118 32.772 84.229 1.00 0.00 +ATOM 4007 HA LEU A 250 15.108 31.826 84.772 1.00 0.00 +ATOM 4008 CB LEU A 250 15.143 32.286 82.770 1.00 0.00 +ATOM 4009 HB2 LEU A 250 14.294 31.622 82.609 1.00 0.00 +ATOM 4010 HB3 LEU A 250 15.046 33.110 82.063 1.00 0.00 +ATOM 4011 CG LEU A 250 16.359 31.445 82.324 1.00 0.00 +ATOM 4012 HG LEU A 250 17.287 32.016 82.340 1.00 0.00 +ATOM 4013 CD1 LEU A 250 16.580 30.134 83.112 1.00 0.00 +ATOM 4014 HD11 LEU A 250 15.652 29.575 83.238 1.00 0.00 +ATOM 4015 HD12 LEU A 250 16.839 30.304 84.157 1.00 0.00 +ATOM 4016 HD13 LEU A 250 17.352 29.462 82.737 1.00 0.00 +ATOM 4017 CD2 LEU A 250 16.214 30.956 80.760 1.00 0.00 +ATOM 4018 HD21 LEU A 250 15.947 31.811 80.140 1.00 0.00 +ATOM 4019 HD22 LEU A 250 17.097 30.402 80.441 1.00 0.00 +ATOM 4020 HD23 LEU A 250 15.390 30.243 80.791 1.00 0.00 +ATOM 4021 C LEU A 250 16.366 33.556 84.576 1.00 0.00 +ATOM 4022 O LEU A 250 17.401 33.034 84.990 1.00 0.00 +ATOM 4023 N GLU A 251 16.332 34.866 84.467 1.00 0.00 +ATOM 4024 H GLU A 251 15.570 35.255 83.932 1.00 0.00 +ATOM 4025 CA GLU A 251 17.501 35.749 84.729 1.00 0.00 +ATOM 4026 HA GLU A 251 18.334 35.297 84.191 1.00 0.00 +ATOM 4027 CB GLU A 251 17.323 37.217 84.257 1.00 0.00 +ATOM 4028 HB2 GLU A 251 16.843 37.700 85.108 1.00 0.00 +ATOM 4029 HB3 GLU A 251 16.702 37.293 83.364 1.00 0.00 +ATOM 4030 CG GLU A 251 18.720 37.740 83.943 1.00 0.00 +ATOM 4031 HG2 GLU A 251 19.402 37.479 84.752 1.00 0.00 +ATOM 4032 HG3 GLU A 251 19.026 37.309 82.990 1.00 0.00 +ATOM 4033 CD GLU A 251 18.648 39.232 83.748 1.00 0.00 +ATOM 4034 OE1 GLU A 251 18.708 40.024 84.695 1.00 0.00 +ATOM 4035 OE2 GLU A 251 18.613 39.678 82.574 1.00 0.00 +ATOM 4036 C GLU A 251 17.871 35.633 86.222 1.00 0.00 +ATOM 4037 O GLU A 251 19.041 35.570 86.615 1.00 0.00 +ATOM 4038 N ASP A 252 16.842 35.425 87.059 1.00 0.00 +ATOM 4039 H ASP A 252 15.980 35.193 86.588 1.00 0.00 +ATOM 4040 CA ASP A 252 16.932 35.366 88.542 1.00 0.00 +ATOM 4041 HA ASP A 252 17.700 36.049 88.905 1.00 0.00 +ATOM 4042 CB ASP A 252 15.513 35.703 89.187 1.00 0.00 +ATOM 4043 HB2 ASP A 252 15.125 36.602 88.709 1.00 0.00 +ATOM 4044 HB3 ASP A 252 14.891 34.820 89.039 1.00 0.00 +ATOM 4045 CG ASP A 252 15.724 35.947 90.744 1.00 0.00 +ATOM 4046 OD1 ASP A 252 15.345 35.101 91.586 1.00 0.00 +ATOM 4047 OD2 ASP A 252 16.193 37.084 91.043 1.00 0.00 +ATOM 4048 C ASP A 252 17.516 33.930 89.011 1.00 0.00 +ATOM 4049 O ASP A 252 17.576 33.625 90.147 1.00 0.00 +ATOM 4050 N TYR A 253 17.852 33.029 88.017 1.00 0.00 +ATOM 4051 H TYR A 253 17.624 33.229 87.053 1.00 0.00 +ATOM 4052 CA TYR A 253 18.539 31.721 88.184 1.00 0.00 +ATOM 4053 HA TYR A 253 18.284 31.297 89.155 1.00 0.00 +ATOM 4054 CB TYR A 253 17.911 30.751 87.218 1.00 0.00 +ATOM 4055 HB2 TYR A 253 18.509 30.732 86.308 1.00 0.00 +ATOM 4056 HB3 TYR A 253 16.930 31.109 86.904 1.00 0.00 +ATOM 4057 CG TYR A 253 17.618 29.360 87.705 1.00 0.00 +ATOM 4058 CD1 TYR A 253 16.679 29.227 88.791 1.00 0.00 +ATOM 4059 HD1 TYR A 253 16.239 30.165 89.097 1.00 0.00 +ATOM 4060 CD2 TYR A 253 18.311 28.258 87.225 1.00 0.00 +ATOM 4061 HD2 TYR A 253 19.100 28.385 86.499 1.00 0.00 +ATOM 4062 CE1 TYR A 253 16.312 27.967 89.313 1.00 0.00 +ATOM 4063 HE1 TYR A 253 15.479 27.792 89.978 1.00 0.00 +ATOM 4064 CE2 TYR A 253 17.902 26.986 87.733 1.00 0.00 +ATOM 4065 HE2 TYR A 253 18.263 26.079 87.273 1.00 0.00 +ATOM 4066 CZ TYR A 253 16.913 26.864 88.727 1.00 0.00 +ATOM 4067 OH TYR A 253 16.498 25.603 89.148 1.00 0.00 +ATOM 4068 HH TYR A 253 15.682 25.628 89.653 1.00 0.00 +ATOM 4069 C TYR A 253 20.076 31.786 88.094 1.00 0.00 +ATOM 4070 O TYR A 253 20.684 30.747 88.356 1.00 0.00 +ATOM 4071 N PHE A 254 20.694 32.873 87.582 1.00 0.00 +ATOM 4072 H PHE A 254 20.087 33.661 87.406 1.00 0.00 +ATOM 4073 CA PHE A 254 22.180 32.970 87.296 1.00 0.00 +ATOM 4074 HA PHE A 254 22.444 32.070 86.740 1.00 0.00 +ATOM 4075 CB PHE A 254 22.474 34.054 86.255 1.00 0.00 +ATOM 4076 HB2 PHE A 254 21.827 34.863 86.592 1.00 0.00 +ATOM 4077 HB3 PHE A 254 23.488 34.425 86.407 1.00 0.00 +ATOM 4078 CG PHE A 254 22.125 33.609 84.848 1.00 0.00 +ATOM 4079 CD1 PHE A 254 23.187 33.122 84.062 1.00 0.00 +ATOM 4080 HD1 PHE A 254 24.170 32.934 84.470 1.00 0.00 +ATOM 4081 CD2 PHE A 254 20.860 33.853 84.315 1.00 0.00 +ATOM 4082 HD2 PHE A 254 20.020 34.104 84.946 1.00 0.00 +ATOM 4083 CE1 PHE A 254 23.029 32.842 82.692 1.00 0.00 +ATOM 4084 HE1 PHE A 254 23.775 32.352 82.085 1.00 0.00 +ATOM 4085 CE2 PHE A 254 20.651 33.428 83.031 1.00 0.00 +ATOM 4086 HE2 PHE A 254 19.662 33.495 82.603 1.00 0.00 +ATOM 4087 CZ PHE A 254 21.702 32.897 82.175 1.00 0.00 +ATOM 4088 HZ PHE A 254 21.401 32.576 81.188 1.00 0.00 +ATOM 4089 C PHE A 254 22.899 33.090 88.611 1.00 0.00 +ATOM 4090 O PHE A 254 22.588 33.791 89.546 1.00 0.00 +ATOM 4091 OXT PHE A 254 23.940 32.370 88.668 1.00 0.00 +TER 4092 PHE A 254 +END +END diff --git a/src/data/trpzip2-explicit/README b/src/data/trpzip2-explicit/README new file mode 100644 index 000000000..fa1d256b7 --- /dev/null +++ b/src/data/trpzip2-explicit/README @@ -0,0 +1,3 @@ +Setup of the trpzip2 peptide from first NMR model of 1LE1. + +1le1_protonated.pdb comes from the \ No newline at end of file diff --git a/src/data/trpzip2-explicit/trpzip2.crd b/src/data/trpzip2-explicit/trpzip2.crd new file mode 100644 index 000000000..09a4356e7 --- /dev/null +++ b/src/data/trpzip2-explicit/trpzip2.crd @@ -0,0 +1,11037 @@ + +11034 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24.7283376 30.3265121 26.4374564 25.5914444 31.3151485 + 27.0131491 26.4776812 31.0925127 25.8291181 25.2175668 32.4972288 + 25.8752770 25.7527976 33.3525050 25.0874277 24.0705016 32.3008761 + 24.3541631 23.2773227 33.1914964 24.2409485 23.5410431 34.2326712 + 23.7057484 22.1621465 32.6474915 23.0387751 21.5601206 33.2467506 + 23.7068723 21.8827743 31.2756470 23.0970382 21.0901028 30.8679900 + 24.5421196 22.6202199 30.4279718 24.5628340 22.5348628 29.3515463 + 25.2527019 23.7194263 30.9359600 25.2622333 26.7257795 28.1073015 + 26.1049876 27.5478003 27.7544592 24.1634866 27.0393379 28.7977026 + 23.7221371 26.1808418 29.0948434 23.6071853 28.3455637 29.0873642 + 24.3780731 29.0820605 28.8606543 22.4773593 28.6353128 28.1033962 + 22.9475512 28.6670921 27.1205441 21.6687461 27.9126786 27.9936490 + 21.7914426 29.9822338 28.3131368 21.0344152 30.0376897 27.5308822 + 21.2089362 29.9924335 29.2343743 22.7771326 31.1230398 28.1047119 + 23.0918527 31.5150926 26.9602706 23.1955423 31.6490585 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43.4128519 47.1269683 28.9306863 43.5512918 47.7880253 + 30.4070090 43.7588475 47.5265355 38.5446753 36.0500611 43.1180648 + 39.2427303 36.6907884 42.9823459 38.1637850 36.2863671 43.9638272 + 38.6558795 36.6710388 54.6602131 39.4797751 36.6304890 54.1746376 + 37.9822478 36.4911482 54.0043994 38.7737553 27.4830036 43.0302821 + 39.5337939 27.7072303 42.4933504 38.6152957 28.2647514 43.5594256 + 44.2697078 38.6307362 37.9230668 44.1896895 39.1243840 37.1068923 + 43.6803176 39.0765772 38.5314062 41.5749953 38.5852462 45.3143269 + 40.7620532 38.3921006 45.7812871 42.2551180 38.5331475 45.9858555 + 37.1782653 40.4551038 40.4988172 36.7052133 40.8301795 39.7560036 + 37.5917302 41.2066452 40.9236279 39.1113891 31.4545437 47.3058379 + 38.4716936 31.0920262 47.9187021 38.9007779 31.0422517 46.4680491 + 41.5102560 43.9128658 40.4783176 40.9398637 43.5003493 39.8296925 + 41.3662188 44.8518947 40.3612291 35.6700984 40.1391220 51.3807496 + 35.9662976 40.4826746 52.2236431 35.0368313 40.7851676 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H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 +H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O +H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 O H1 H2 +O H1 H2 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112 113 114 115 116 117 118 -1 120 +SER TRP THR TRP GLU ASN GLY LYS TRP THR TRP LYS Cl- WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT 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WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT +WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT WAT + 1 14 38 52 76 91 105 112 134 158 172 196 + 219 220 223 226 229 232 235 238 241 244 247 250 + 253 256 259 262 265 268 271 274 277 280 283 286 + 289 292 295 298 301 304 307 310 313 316 319 322 + 325 328 331 334 337 340 343 346 349 352 355 358 + 361 364 367 370 373 376 379 382 385 388 391 394 + 397 400 403 406 409 412 415 418 421 424 427 430 + 433 436 439 442 445 448 451 454 457 460 463 466 + 469 472 475 478 481 484 487 490 493 496 499 502 + 505 508 511 514 517 520 523 526 529 532 535 538 + 541 544 547 550 553 556 559 562 565 568 571 574 + 577 580 583 586 589 592 595 598 601 604 607 610 + 613 616 619 622 625 628 631 634 637 640 643 646 + 649 652 655 658 661 664 667 670 673 676 679 682 + 685 688 691 694 697 700 703 706 709 712 715 718 + 721 724 727 730 733 736 739 742 745 748 751 754 + 757 760 763 766 769 772 775 778 781 784 787 790 + 793 796 799 802 805 808 811 814 817 820 823 826 + 829 832 835 838 841 844 847 850 853 856 859 862 + 865 868 871 874 877 880 883 886 889 892 895 898 + 901 904 907 910 913 916 919 922 925 928 931 934 + 937 940 943 946 949 952 955 958 961 964 967 970 + 973 976 979 982 985 988 991 994 997 1000 1003 1006 + 1009 1012 1015 1018 1021 1024 1027 1030 1033 1036 1039 1042 + 1045 1048 1051 1054 1057 1060 1063 1066 1069 1072 1075 1078 + 1081 1084 1087 1090 1093 1096 1099 1102 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HC CT HC HC C O2 O2 C O N H CT H1 CT HC HC C O N +H H C O N H CT H1 H1 C O N H CT H1 CT HC HC CT HC +HC CT HC HC CT HP HP N3 H H H C O N H CT H1 CT HC HC +C* CW H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT +H1 CT H1 CT HC HC HC OH HO C O N H CT H1 CT HC HC C* CW +H4 NA H CN CA HA CA HA CA HA CA HA CB C O N H CT H1 CT +HC HC CT HC HC CT HC HC CT HP HP N3 H H H C O2 O2 IM OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW 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HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW 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HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW 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HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW 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HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW 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HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW 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HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW 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HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW +HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW +HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW OW HW HW +OW HW HW 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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+BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA 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BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA BLA +BLA BLA BLA BLA BLA BLA BLA BLA 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3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 3 3 3 3 3 + 3 3 3 3 3 3 3 + 9.00000000E+01 4.80951000E+01 4.80951000E+01 4.80951000E+01 diff --git a/src/data/waterbox/tip3p900.pdb b/src/data/waterbox/tip3p900.pdb new file mode 100644 index 000000000..12ac2dd3f --- /dev/null +++ b/src/data/waterbox/tip3p900.pdb @@ -0,0 +1,2706 @@ +HEADER TIP3P +REMARK THIS IS A SIMULATION BOX +CRYST1 30.113 30.113 30.113 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 OW SOL 1 30.140 25.020 25.710 1.00 0.00 +ATOM 2 HW1 SOL 1 29.290 24.670 25.960 1.00 0.00 +ATOM 3 HW2 SOL 1 30.060 25.220 24.780 1.00 0.00 +ATOM 4 OW SOL 2 29.530 24.070 13.240 1.00 0.00 +ATOM 5 HW1 SOL 2 28.920 24.430 12.600 1.00 0.00 +ATOM 6 HW2 SOL 2 28.980 23.720 13.940 1.00 0.00 +ATOM 7 OW SOL 3 22.710 22.640 15.370 1.00 0.00 +ATOM 8 HW1 SOL 3 22.300 23.070 14.610 1.00 0.00 +ATOM 9 HW2 SOL 3 23.650 22.660 15.170 1.00 0.00 +ATOM 10 OW SOL 4 7.070 0.220 4.120 1.00 0.00 +ATOM 11 HW1 SOL 4 6.610 1.020 3.860 1.00 0.00 +ATOM 12 HW2 SOL 4 7.940 0.300 3.730 1.00 0.00 +ATOM 13 OW SOL 5 14.110 24.690 8.350 1.00 0.00 +ATOM 14 HW1 SOL 5 13.670 25.150 7.640 1.00 0.00 +ATOM 15 HW2 SOL 5 14.730 25.330 8.710 1.00 0.00 +ATOM 16 OW SOL 6 4.200 20.240 3.360 1.00 0.00 +ATOM 17 HW1 SOL 6 5.090 20.400 3.650 1.00 0.00 +ATOM 18 HW2 SOL 6 4.090 19.280 3.420 1.00 0.00 +ATOM 19 OW SOL 7 25.230 22.080 14.630 1.00 0.00 +ATOM 20 HW1 SOL 7 25.630 21.760 15.450 1.00 0.00 +ATOM 21 HW2 SOL 7 24.800 21.310 14.260 1.00 0.00 +ATOM 22 OW SOL 8 28.600 9.790 28.230 1.00 0.00 +ATOM 23 HW1 SOL 8 27.850 9.490 27.720 1.00 0.00 +ATOM 24 HW2 SOL 8 29.340 9.780 27.620 1.00 0.00 +ATOM 25 OW SOL 9 24.530 3.890 10.590 1.00 0.00 +ATOM 26 HW1 SOL 9 23.940 4.640 10.650 1.00 0.00 +ATOM 27 HW2 SOL 9 24.220 3.410 9.820 1.00 0.00 +ATOM 28 OW SOL 10 28.390 4.440 12.910 1.00 0.00 +ATOM 29 HW1 SOL 10 28.180 3.520 13.020 1.00 0.00 +ATOM 30 HW2 SOL 10 28.040 4.670 12.050 1.00 0.00 +ATOM 31 OW SOL 11 20.020 17.210 27.910 1.00 0.00 +ATOM 32 HW1 SOL 11 19.180 17.540 27.590 1.00 0.00 +ATOM 33 HW2 SOL 11 20.650 17.870 27.630 1.00 0.00 +ATOM 34 OW SOL 12 1.880 4.660 22.550 1.00 0.00 +ATOM 35 HW1 SOL 12 1.320 3.930 22.300 1.00 0.00 +ATOM 36 HW2 SOL 12 2.210 5.010 21.720 1.00 0.00 +ATOM 37 OW SOL 13 21.320 24.190 26.750 1.00 0.00 +ATOM 38 HW1 SOL 13 21.570 23.550 27.420 1.00 0.00 +ATOM 39 HW2 SOL 13 20.390 24.010 26.600 1.00 0.00 +ATOM 40 OW SOL 14 18.250 12.060 0.260 1.00 0.00 +ATOM 41 HW1 SOL 14 17.530 12.040 0.890 1.00 0.00 +ATOM 42 HW2 SOL 14 18.140 11.270 -0.260 1.00 0.00 +ATOM 43 OW SOL 15 24.220 23.860 17.720 1.00 0.00 +ATOM 44 HW1 SOL 15 23.820 23.540 18.530 1.00 0.00 +ATOM 45 HW2 SOL 15 23.570 23.670 17.040 1.00 0.00 +ATOM 46 OW SOL 16 6.860 15.690 10.000 1.00 0.00 +ATOM 47 HW1 SOL 16 6.650 16.160 10.800 1.00 0.00 +ATOM 48 HW2 SOL 16 6.680 16.310 9.300 1.00 0.00 +ATOM 49 OW SOL 17 12.830 10.230 18.480 1.00 0.00 +ATOM 50 HW1 SOL 17 12.800 10.530 19.390 1.00 0.00 +ATOM 51 HW2 SOL 17 13.040 9.300 18.540 1.00 0.00 +ATOM 52 OW SOL 18 6.550 6.050 6.160 1.00 0.00 +ATOM 53 HW1 SOL 18 6.370 6.190 5.230 1.00 0.00 +ATOM 54 HW2 SOL 18 6.810 5.130 6.220 1.00 0.00 +ATOM 55 OW SOL 19 2.910 17.320 27.170 1.00 0.00 +ATOM 56 HW1 SOL 19 3.380 16.580 26.790 1.00 0.00 +ATOM 57 HW2 SOL 19 3.170 18.070 26.640 1.00 0.00 +ATOM 58 OW SOL 20 16.480 13.380 3.270 1.00 0.00 +ATOM 59 HW1 SOL 20 16.660 12.500 3.600 1.00 0.00 +ATOM 60 HW2 SOL 20 17.310 13.680 2.900 1.00 0.00 +ATOM 61 OW SOL 21 17.020 7.620 0.380 1.00 0.00 +ATOM 62 HW1 SOL 21 17.020 7.160 -0.460 1.00 0.00 +ATOM 63 HW2 SOL 21 17.430 7.010 0.990 1.00 0.00 +ATOM 64 OW SOL 22 20.610 6.370 22.310 1.00 0.00 +ATOM 65 HW1 SOL 22 19.970 7.080 22.240 1.00 0.00 +ATOM 66 HW2 SOL 22 20.750 6.090 21.410 1.00 0.00 +ATOM 67 OW SOL 23 0.060 5.780 19.950 1.00 0.00 +ATOM 68 HW1 SOL 23 -0.200 6.690 20.080 1.00 0.00 +ATOM 69 HW2 SOL 23 1.010 5.810 19.860 1.00 0.00 +ATOM 70 OW SOL 24 15.450 19.450 6.130 1.00 0.00 +ATOM 71 HW1 SOL 24 16.330 19.660 5.800 1.00 0.00 +ATOM 72 HW2 SOL 24 14.990 19.080 5.380 1.00 0.00 +ATOM 73 OW SOL 25 19.500 20.710 14.920 1.00 0.00 +ATOM 74 HW1 SOL 25 20.210 20.340 15.450 1.00 0.00 +ATOM 75 HW2 SOL 25 18.710 20.270 15.240 1.00 0.00 +ATOM 76 OW SOL 26 23.110 12.910 5.700 1.00 0.00 +ATOM 77 HW1 SOL 26 23.970 12.520 5.570 1.00 0.00 +ATOM 78 HW2 SOL 26 22.910 12.750 6.620 1.00 0.00 +ATOM 79 OW SOL 27 29.060 29.200 10.040 1.00 0.00 +ATOM 80 HW1 SOL 27 28.490 28.670 9.480 1.00 0.00 +ATOM 81 HW2 SOL 27 29.860 29.310 9.530 1.00 0.00 +ATOM 82 OW SOL 28 19.450 14.080 15.620 1.00 0.00 +ATOM 83 HW1 SOL 28 19.300 13.130 15.630 1.00 0.00 +ATOM 84 HW2 SOL 28 18.770 14.440 16.180 1.00 0.00 +ATOM 85 OW SOL 29 12.940 5.210 7.240 1.00 0.00 +ATOM 86 HW1 SOL 29 13.090 5.970 6.680 1.00 0.00 +ATOM 87 HW2 SOL 29 13.480 4.520 6.850 1.00 0.00 +ATOM 88 OW SOL 30 16.430 13.240 14.110 1.00 0.00 +ATOM 89 HW1 SOL 30 16.770 14.140 14.160 1.00 0.00 +ATOM 90 HW2 SOL 30 15.700 13.220 14.730 1.00 0.00 +ATOM 91 OW SOL 31 1.170 17.900 18.960 1.00 0.00 +ATOM 92 HW1 SOL 31 1.730 18.470 19.490 1.00 0.00 +ATOM 93 HW2 SOL 31 1.740 17.170 18.710 1.00 0.00 +ATOM 94 OW SOL 32 5.770 2.610 20.820 1.00 0.00 +ATOM 95 HW1 SOL 32 5.750 2.280 19.930 1.00 0.00 +ATOM 96 HW2 SOL 32 6.670 2.460 21.120 1.00 0.00 +ATOM 97 OW SOL 33 13.710 18.450 10.790 1.00 0.00 +ATOM 98 HW1 SOL 33 14.610 18.200 10.570 1.00 0.00 +ATOM 99 HW2 SOL 33 13.470 19.080 10.100 1.00 0.00 +ATOM 100 OW SOL 34 11.060 28.390 3.080 1.00 0.00 +ATOM 101 HW1 SOL 34 10.700 29.280 3.150 1.00 0.00 +ATOM 102 HW2 SOL 34 10.300 27.830 2.970 1.00 0.00 +ATOM 103 OW SOL 35 5.890 24.620 3.400 1.00 0.00 +ATOM 104 HW1 SOL 35 5.160 24.000 3.410 1.00 0.00 +ATOM 105 HW2 SOL 35 5.470 25.480 3.310 1.00 0.00 +ATOM 106 OW SOL 36 22.090 27.350 21.140 1.00 0.00 +ATOM 107 HW1 SOL 36 22.120 26.660 21.810 1.00 0.00 +ATOM 108 HW2 SOL 36 22.930 27.800 21.240 1.00 0.00 +ATOM 109 OW SOL 37 4.910 2.980 5.870 1.00 0.00 +ATOM 110 HW1 SOL 37 4.290 3.140 6.580 1.00 0.00 +ATOM 111 HW2 SOL 37 5.770 2.950 6.310 1.00 0.00 +ATOM 112 OW SOL 38 9.210 19.150 27.600 1.00 0.00 +ATOM 113 HW1 SOL 38 8.280 19.010 27.760 1.00 0.00 +ATOM 114 HW2 SOL 38 9.560 19.410 28.460 1.00 0.00 +ATOM 115 OW SOL 39 21.680 14.490 18.260 1.00 0.00 +ATOM 116 HW1 SOL 39 22.450 14.340 18.810 1.00 0.00 +ATOM 117 HW2 SOL 39 20.940 14.300 18.830 1.00 0.00 +ATOM 118 OW SOL 40 10.560 24.740 16.570 1.00 0.00 +ATOM 119 HW1 SOL 40 11.170 24.880 17.290 1.00 0.00 +ATOM 120 HW2 SOL 40 10.110 23.920 16.790 1.00 0.00 +ATOM 121 OW SOL 41 24.670 27.050 23.600 1.00 0.00 +ATOM 122 HW1 SOL 41 24.250 27.500 24.340 1.00 0.00 +ATOM 123 HW2 SOL 41 24.390 27.540 22.830 1.00 0.00 +ATOM 124 OW SOL 42 27.830 5.340 4.560 1.00 0.00 +ATOM 125 HW1 SOL 42 27.710 4.410 4.790 1.00 0.00 +ATOM 126 HW2 SOL 42 27.550 5.810 5.350 1.00 0.00 +ATOM 127 OW SOL 43 28.160 7.240 11.450 1.00 0.00 +ATOM 128 HW1 SOL 43 27.640 6.510 11.120 1.00 0.00 +ATOM 129 HW2 SOL 43 27.930 7.300 12.370 1.00 0.00 +ATOM 130 OW SOL 44 5.420 28.410 5.050 1.00 0.00 +ATOM 131 HW1 SOL 44 4.790 29.120 5.140 1.00 0.00 +ATOM 132 HW2 SOL 44 6.260 28.840 4.880 1.00 0.00 +ATOM 133 OW SOL 45 25.990 0.140 2.300 1.00 0.00 +ATOM 134 HW1 SOL 45 25.810 -0.240 1.430 1.00 0.00 +ATOM 135 HW2 SOL 45 25.920 1.080 2.170 1.00 0.00 +ATOM 136 OW SOL 46 21.670 20.200 12.790 1.00 0.00 +ATOM 137 HW1 SOL 46 21.500 19.840 13.660 1.00 0.00 +ATOM 138 HW2 SOL 46 22.070 21.060 12.960 1.00 0.00 +ATOM 139 OW SOL 47 8.590 6.180 15.600 1.00 0.00 +ATOM 140 HW1 SOL 47 8.360 6.070 16.530 1.00 0.00 +ATOM 141 HW2 SOL 47 7.740 6.160 15.150 1.00 0.00 +ATOM 142 OW SOL 48 29.460 3.540 25.180 1.00 0.00 +ATOM 143 HW1 SOL 48 30.390 3.750 25.270 1.00 0.00 +ATOM 144 HW2 SOL 48 29.080 3.760 26.030 1.00 0.00 +ATOM 145 OW SOL 49 28.690 17.790 7.200 1.00 0.00 +ATOM 146 HW1 SOL 49 28.780 18.440 6.510 1.00 0.00 +ATOM 147 HW2 SOL 49 29.590 17.520 7.390 1.00 0.00 +ATOM 148 OW SOL 50 8.050 20.100 6.030 1.00 0.00 +ATOM 149 HW1 SOL 50 7.730 19.800 5.180 1.00 0.00 +ATOM 150 HW2 SOL 50 8.310 21.010 5.880 1.00 0.00 +ATOM 151 OW SOL 51 6.180 22.500 29.220 1.00 0.00 +ATOM 152 HW1 SOL 51 6.240 21.550 29.150 1.00 0.00 +ATOM 153 HW2 SOL 51 6.630 22.830 28.440 1.00 0.00 +ATOM 154 OW SOL 52 26.270 12.120 26.440 1.00 0.00 +ATOM 155 HW1 SOL 52 25.870 11.680 27.190 1.00 0.00 +ATOM 156 HW2 SOL 52 26.400 13.020 26.730 1.00 0.00 +ATOM 157 OW SOL 53 21.580 15.200 25.220 1.00 0.00 +ATOM 158 HW1 SOL 53 21.550 14.580 24.490 1.00 0.00 +ATOM 159 HW2 SOL 53 21.870 16.020 24.830 1.00 0.00 +ATOM 160 OW SOL 54 12.400 27.000 21.890 1.00 0.00 +ATOM 161 HW1 SOL 54 11.900 27.820 21.920 1.00 0.00 +ATOM 162 HW2 SOL 54 13.310 27.270 21.930 1.00 0.00 +ATOM 163 OW SOL 55 2.070 4.850 28.200 1.00 0.00 +ATOM 164 HW1 SOL 55 2.750 5.070 28.830 1.00 0.00 +ATOM 165 HW2 SOL 55 1.510 4.220 28.660 1.00 0.00 +ATOM 166 OW SOL 56 18.380 19.420 26.420 1.00 0.00 +ATOM 167 HW1 SOL 56 17.550 19.880 26.510 1.00 0.00 +ATOM 168 HW2 SOL 56 19.010 19.960 26.910 1.00 0.00 +ATOM 169 OW SOL 57 9.400 26.180 9.610 1.00 0.00 +ATOM 170 HW1 SOL 57 10.330 26.160 9.830 1.00 0.00 +ATOM 171 HW2 SOL 57 8.950 25.960 10.420 1.00 0.00 +ATOM 172 OW SOL 58 18.120 26.810 2.680 1.00 0.00 +ATOM 173 HW1 SOL 58 17.310 27.310 2.590 1.00 0.00 +ATOM 174 HW2 SOL 58 18.820 27.470 2.680 1.00 0.00 +ATOM 175 OW SOL 59 15.720 7.860 18.900 1.00 0.00 +ATOM 176 HW1 SOL 59 15.990 8.190 18.040 1.00 0.00 +ATOM 177 HW2 SOL 59 16.370 7.200 19.130 1.00 0.00 +ATOM 178 OW SOL 60 26.600 30.190 7.480 1.00 0.00 +ATOM 179 HW1 SOL 60 27.430 29.730 7.350 1.00 0.00 +ATOM 180 HW2 SOL 60 26.160 29.700 8.170 1.00 0.00 +ATOM 181 OW SOL 61 2.090 15.680 2.230 1.00 0.00 +ATOM 182 HW1 SOL 61 1.590 15.190 1.580 1.00 0.00 +ATOM 183 HW2 SOL 61 2.930 15.230 2.270 1.00 0.00 +ATOM 184 OW SOL 62 24.000 23.570 3.420 1.00 0.00 +ATOM 185 HW1 SOL 62 23.710 23.120 2.630 1.00 0.00 +ATOM 186 HW2 SOL 62 23.750 22.990 4.130 1.00 0.00 +ATOM 187 OW SOL 63 9.190 10.710 2.070 1.00 0.00 +ATOM 188 HW1 SOL 63 9.610 11.090 2.840 1.00 0.00 +ATOM 189 HW2 SOL 63 9.690 11.060 1.320 1.00 0.00 +ATOM 190 OW SOL 64 10.270 17.110 2.520 1.00 0.00 +ATOM 191 HW1 SOL 64 9.760 17.900 2.680 1.00 0.00 +ATOM 192 HW2 SOL 64 10.920 17.100 3.230 1.00 0.00 +ATOM 193 OW SOL 65 13.220 18.490 22.440 1.00 0.00 +ATOM 194 HW1 SOL 65 14.010 18.060 22.770 1.00 0.00 +ATOM 195 HW2 SOL 65 13.030 19.170 23.090 1.00 0.00 +ATOM 196 OW SOL 66 11.360 22.920 19.730 1.00 0.00 +ATOM 197 HW1 SOL 66 10.990 22.040 19.700 1.00 0.00 +ATOM 198 HW2 SOL 66 11.920 22.920 20.500 1.00 0.00 +ATOM 199 OW SOL 67 24.250 0.360 14.040 1.00 0.00 +ATOM 200 HW1 SOL 67 23.550 -0.290 13.940 1.00 0.00 +ATOM 201 HW2 SOL 67 24.740 0.060 14.800 1.00 0.00 +ATOM 202 OW SOL 68 15.240 15.280 26.330 1.00 0.00 +ATOM 203 HW1 SOL 68 15.130 16.220 26.200 1.00 0.00 +ATOM 204 HW2 SOL 68 16.110 15.080 25.970 1.00 0.00 +ATOM 205 OW SOL 69 1.710 29.680 16.400 1.00 0.00 +ATOM 206 HW1 SOL 69 2.040 29.400 17.250 1.00 0.00 +ATOM 207 HW2 SOL 69 0.850 30.060 16.580 1.00 0.00 +ATOM 208 OW SOL 70 25.360 4.040 23.040 1.00 0.00 +ATOM 209 HW1 SOL 70 26.320 3.940 23.050 1.00 0.00 +ATOM 210 HW2 SOL 70 25.200 4.780 22.450 1.00 0.00 +ATOM 211 OW SOL 71 13.130 3.960 3.850 1.00 0.00 +ATOM 212 HW1 SOL 71 13.440 4.700 3.340 1.00 0.00 +ATOM 213 HW2 SOL 71 12.690 3.400 3.210 1.00 0.00 +ATOM 214 OW SOL 72 22.080 25.350 6.300 1.00 0.00 +ATOM 215 HW1 SOL 72 22.870 25.770 6.640 1.00 0.00 +ATOM 216 HW2 SOL 72 21.810 25.900 5.560 1.00 0.00 +ATOM 217 OW SOL 73 22.360 2.890 13.000 1.00 0.00 +ATOM 218 HW1 SOL 73 23.220 3.270 13.160 1.00 0.00 +ATOM 219 HW2 SOL 73 22.110 2.510 13.840 1.00 0.00 +ATOM 220 OW SOL 74 13.530 18.360 17.740 1.00 0.00 +ATOM 221 HW1 SOL 74 13.910 19.240 17.810 1.00 0.00 +ATOM 222 HW2 SOL 74 12.840 18.350 18.400 1.00 0.00 +ATOM 223 OW SOL 75 17.990 21.110 6.590 1.00 0.00 +ATOM 224 HW1 SOL 75 17.970 21.090 5.630 1.00 0.00 +ATOM 225 HW2 SOL 75 18.560 21.850 6.800 1.00 0.00 +ATOM 226 OW SOL 76 13.530 1.900 29.440 1.00 0.00 +ATOM 227 HW1 SOL 76 13.510 2.850 29.500 1.00 0.00 +ATOM 228 HW2 SOL 76 14.060 1.720 28.660 1.00 0.00 +ATOM 229 OW SOL 77 24.430 9.350 24.820 1.00 0.00 +ATOM 230 HW1 SOL 77 25.180 8.920 25.240 1.00 0.00 +ATOM 231 HW2 SOL 77 23.970 9.790 25.530 1.00 0.00 +ATOM 232 OW SOL 78 4.300 4.670 14.100 1.00 0.00 +ATOM 233 HW1 SOL 78 3.390 4.610 13.810 1.00 0.00 +ATOM 234 HW2 SOL 78 4.590 3.760 14.140 1.00 0.00 +ATOM 235 OW SOL 79 1.560 22.760 20.220 1.00 0.00 +ATOM 236 HW1 SOL 79 1.940 23.630 20.150 1.00 0.00 +ATOM 237 HW2 SOL 79 0.690 22.890 20.600 1.00 0.00 +ATOM 238 OW SOL 80 4.950 4.080 29.770 1.00 0.00 +ATOM 239 HW1 SOL 80 4.470 4.800 29.360 1.00 0.00 +ATOM 240 HW2 SOL 80 5.350 3.610 29.040 1.00 0.00 +ATOM 241 OW SOL 81 28.830 17.600 19.890 1.00 0.00 +ATOM 242 HW1 SOL 81 28.720 16.950 19.200 1.00 0.00 +ATOM 243 HW2 SOL 81 29.770 17.710 19.970 1.00 0.00 +ATOM 244 OW SOL 82 7.620 22.500 2.700 1.00 0.00 +ATOM 245 HW1 SOL 82 6.920 23.150 2.830 1.00 0.00 +ATOM 246 HW2 SOL 82 8.240 22.670 3.400 1.00 0.00 +ATOM 247 OW SOL 83 26.360 17.350 13.070 1.00 0.00 +ATOM 248 HW1 SOL 83 26.940 17.240 13.830 1.00 0.00 +ATOM 249 HW2 SOL 83 26.650 16.680 12.450 1.00 0.00 +ATOM 250 OW SOL 84 0.590 28.120 1.680 1.00 0.00 +ATOM 251 HW1 SOL 84 -0.300 27.760 1.770 1.00 0.00 +ATOM 252 HW2 SOL 84 1.130 27.360 1.480 1.00 0.00 +ATOM 253 OW SOL 85 28.790 15.190 6.390 1.00 0.00 +ATOM 254 HW1 SOL 85 29.510 15.490 5.830 1.00 0.00 +ATOM 255 HW2 SOL 85 28.570 15.950 6.930 1.00 0.00 +ATOM 256 OW SOL 86 22.520 29.790 27.140 1.00 0.00 +ATOM 257 HW1 SOL 86 23.240 30.400 26.970 1.00 0.00 +ATOM 258 HW2 SOL 86 22.530 29.670 28.090 1.00 0.00 +ATOM 259 OW SOL 87 7.020 15.300 25.850 1.00 0.00 +ATOM 260 HW1 SOL 87 6.230 14.770 26.000 1.00 0.00 +ATOM 261 HW2 SOL 87 6.700 16.090 25.400 1.00 0.00 +ATOM 262 OW SOL 88 8.550 8.430 22.740 1.00 0.00 +ATOM 263 HW1 SOL 88 8.870 8.680 21.870 1.00 0.00 +ATOM 264 HW2 SOL 88 9.280 8.640 23.320 1.00 0.00 +ATOM 265 OW SOL 89 22.330 28.440 24.700 1.00 0.00 +ATOM 266 HW1 SOL 89 22.580 28.940 25.470 1.00 0.00 +ATOM 267 HW2 SOL 89 21.490 28.040 24.930 1.00 0.00 +ATOM 268 OW SOL 90 27.790 24.330 26.700 1.00 0.00 +ATOM 269 HW1 SOL 90 27.770 24.360 27.660 1.00 0.00 +ATOM 270 HW2 SOL 90 26.880 24.500 26.440 1.00 0.00 +ATOM 271 OW SOL 91 21.800 20.780 8.870 1.00 0.00 +ATOM 272 HW1 SOL 91 22.500 20.210 8.570 1.00 0.00 +ATOM 273 HW2 SOL 91 22.100 21.670 8.670 1.00 0.00 +ATOM 274 OW SOL 92 21.930 12.430 16.500 1.00 0.00 +ATOM 275 HW1 SOL 92 21.130 11.940 16.300 1.00 0.00 +ATOM 276 HW2 SOL 92 21.620 13.260 16.870 1.00 0.00 +ATOM 277 OW SOL 93 20.490 13.970 13.040 1.00 0.00 +ATOM 278 HW1 SOL 93 20.210 13.740 13.930 1.00 0.00 +ATOM 279 HW2 SOL 93 20.820 14.860 13.120 1.00 0.00 +ATOM 280 OW SOL 94 28.960 27.670 28.360 1.00 0.00 +ATOM 281 HW1 SOL 94 28.300 26.980 28.480 1.00 0.00 +ATOM 282 HW2 SOL 94 29.740 27.210 28.050 1.00 0.00 +ATOM 283 OW SOL 95 15.550 26.930 9.580 1.00 0.00 +ATOM 284 HW1 SOL 95 15.120 27.700 9.210 1.00 0.00 +ATOM 285 HW2 SOL 95 16.480 27.170 9.610 1.00 0.00 +ATOM 286 OW SOL 96 2.610 7.110 5.990 1.00 0.00 +ATOM 287 HW1 SOL 96 3.300 7.250 6.630 1.00 0.00 +ATOM 288 HW2 SOL 96 2.880 6.320 5.510 1.00 0.00 +ATOM 289 OW SOL 97 9.310 14.430 10.130 1.00 0.00 +ATOM 290 HW1 SOL 97 8.490 14.910 10.160 1.00 0.00 +ATOM 291 HW2 SOL 97 9.840 14.890 9.480 1.00 0.00 +ATOM 292 OW SOL 98 8.690 18.800 24.680 1.00 0.00 +ATOM 293 HW1 SOL 98 7.930 18.220 24.650 1.00 0.00 +ATOM 294 HW2 SOL 98 8.610 19.240 25.530 1.00 0.00 +ATOM 295 OW SOL 99 7.810 3.560 6.110 1.00 0.00 +ATOM 296 HW1 SOL 99 7.980 3.440 7.050 1.00 0.00 +ATOM 297 HW2 SOL 99 8.420 4.240 5.840 1.00 0.00 +ATOM 298 OW SOL 100 19.210 9.230 3.020 1.00 0.00 +ATOM 299 HW1 SOL 100 19.450 9.090 2.100 1.00 0.00 +ATOM 300 HW2 SOL 100 19.940 9.750 3.370 1.00 0.00 +ATOM 301 OW SOL 101 2.770 26.700 16.490 1.00 0.00 +ATOM 302 HW1 SOL 101 2.380 26.030 15.930 1.00 0.00 +ATOM 303 HW2 SOL 101 2.620 27.520 16.010 1.00 0.00 +ATOM 304 OW SOL 102 15.180 14.510 0.140 1.00 0.00 +ATOM 305 HW1 SOL 102 15.040 15.430 -0.060 1.00 0.00 +ATOM 306 HW2 SOL 102 15.530 14.510 1.040 1.00 0.00 +ATOM 307 OW SOL 103 24.490 11.660 28.500 1.00 0.00 +ATOM 308 HW1 SOL 103 23.880 12.390 28.460 1.00 0.00 +ATOM 309 HW2 SOL 103 24.570 11.460 29.430 1.00 0.00 +ATOM 310 OW SOL 104 25.930 11.920 4.550 1.00 0.00 +ATOM 311 HW1 SOL 104 25.680 11.050 4.240 1.00 0.00 +ATOM 312 HW2 SOL 104 26.850 11.820 4.820 1.00 0.00 +ATOM 313 OW SOL 105 22.080 0.320 22.590 1.00 0.00 +ATOM 314 HW1 SOL 105 21.640 0.330 23.440 1.00 0.00 +ATOM 315 HW2 SOL 105 22.700 -0.400 22.650 1.00 0.00 +ATOM 316 OW SOL 106 17.770 29.010 23.560 1.00 0.00 +ATOM 317 HW1 SOL 106 18.600 29.020 24.040 1.00 0.00 +ATOM 318 HW2 SOL 106 18.010 29.250 22.660 1.00 0.00 +ATOM 319 OW SOL 107 10.040 24.990 22.490 1.00 0.00 +ATOM 320 HW1 SOL 107 10.740 25.580 22.210 1.00 0.00 +ATOM 321 HW2 SOL 107 9.520 24.830 21.700 1.00 0.00 +ATOM 322 OW SOL 108 3.200 20.460 6.390 1.00 0.00 +ATOM 323 HW1 SOL 108 3.140 21.330 6.790 1.00 0.00 +ATOM 324 HW2 SOL 108 2.500 19.960 6.800 1.00 0.00 +ATOM 325 OW SOL 109 6.780 21.770 24.030 1.00 0.00 +ATOM 326 HW1 SOL 109 6.220 22.420 24.460 1.00 0.00 +ATOM 327 HW2 SOL 109 6.700 21.950 23.100 1.00 0.00 +ATOM 328 OW SOL 110 21.530 10.700 23.500 1.00 0.00 +ATOM 329 HW1 SOL 110 21.740 10.440 22.600 1.00 0.00 +ATOM 330 HW2 SOL 110 22.060 10.110 24.040 1.00 0.00 +ATOM 331 OW SOL 111 14.660 3.750 16.060 1.00 0.00 +ATOM 332 HW1 SOL 111 14.400 3.150 15.350 1.00 0.00 +ATOM 333 HW2 SOL 111 14.880 3.170 16.790 1.00 0.00 +ATOM 334 OW SOL 112 26.360 17.780 22.560 1.00 0.00 +ATOM 335 HW1 SOL 112 25.770 18.100 21.880 1.00 0.00 +ATOM 336 HW2 SOL 112 27.240 18.030 22.260 1.00 0.00 +ATOM 337 OW SOL 113 12.470 16.430 27.690 1.00 0.00 +ATOM 338 HW1 SOL 113 11.570 16.550 27.370 1.00 0.00 +ATOM 339 HW2 SOL 113 12.750 15.600 27.320 1.00 0.00 +ATOM 340 OW SOL 114 8.500 24.760 24.750 1.00 0.00 +ATOM 341 HW1 SOL 114 7.640 24.940 24.370 1.00 0.00 +ATOM 342 HW2 SOL 114 9.040 24.470 24.020 1.00 0.00 +ATOM 343 OW SOL 115 20.700 23.280 3.720 1.00 0.00 +ATOM 344 HW1 SOL 115 21.190 22.890 4.440 1.00 0.00 +ATOM 345 HW2 SOL 115 21.360 23.480 3.060 1.00 0.00 +ATOM 346 OW SOL 116 9.420 1.460 27.760 1.00 0.00 +ATOM 347 HW1 SOL 116 9.450 1.180 26.840 1.00 0.00 +ATOM 348 HW2 SOL 116 10.100 2.130 27.820 1.00 0.00 +ATOM 349 OW SOL 117 18.140 17.190 7.340 1.00 0.00 +ATOM 350 HW1 SOL 117 18.790 17.750 7.770 1.00 0.00 +ATOM 351 HW2 SOL 117 18.420 17.150 6.420 1.00 0.00 +ATOM 352 OW SOL 118 3.170 26.660 6.210 1.00 0.00 +ATOM 353 HW1 SOL 118 3.500 27.480 6.570 1.00 0.00 +ATOM 354 HW2 SOL 118 3.940 26.110 6.120 1.00 0.00 +ATOM 355 OW SOL 119 13.690 11.020 1.070 1.00 0.00 +ATOM 356 HW1 SOL 119 14.190 10.410 1.620 1.00 0.00 +ATOM 357 HW2 SOL 119 13.810 10.700 0.180 1.00 0.00 +ATOM 358 OW SOL 120 28.900 11.210 16.750 1.00 0.00 +ATOM 359 HW1 SOL 120 28.350 11.770 16.200 1.00 0.00 +ATOM 360 HW2 SOL 120 29.800 11.490 16.540 1.00 0.00 +ATOM 361 OW SOL 121 20.910 9.460 0.390 1.00 0.00 +ATOM 362 HW1 SOL 121 21.520 10.200 0.420 1.00 0.00 +ATOM 363 HW2 SOL 121 20.100 9.830 0.040 1.00 0.00 +ATOM 364 OW SOL 122 2.690 0.060 29.340 1.00 0.00 +ATOM 365 HW1 SOL 122 2.660 -0.680 29.950 1.00 0.00 +ATOM 366 HW2 SOL 122 3.000 0.800 29.870 1.00 0.00 +ATOM 367 OW SOL 123 6.470 30.400 14.240 1.00 0.00 +ATOM 368 HW1 SOL 123 6.050 29.550 14.070 1.00 0.00 +ATOM 369 HW2 SOL 123 7.410 30.230 14.090 1.00 0.00 +ATOM 370 OW SOL 124 13.490 6.010 15.340 1.00 0.00 +ATOM 371 HW1 SOL 124 12.570 5.850 15.140 1.00 0.00 +ATOM 372 HW2 SOL 124 13.840 5.150 15.570 1.00 0.00 +ATOM 373 OW SOL 125 1.650 22.800 7.500 1.00 0.00 +ATOM 374 HW1 SOL 125 2.140 22.610 8.300 1.00 0.00 +ATOM 375 HW2 SOL 125 0.890 22.210 7.550 1.00 0.00 +ATOM 376 OW SOL 126 25.180 28.510 27.740 1.00 0.00 +ATOM 377 HW1 SOL 126 25.620 28.260 26.930 1.00 0.00 +ATOM 378 HW2 SOL 126 24.520 27.830 27.880 1.00 0.00 +ATOM 379 OW SOL 127 15.890 30.070 10.620 1.00 0.00 +ATOM 380 HW1 SOL 127 16.480 29.350 10.400 1.00 0.00 +ATOM 381 HW2 SOL 127 16.370 30.860 10.360 1.00 0.00 +ATOM 382 OW SOL 128 2.900 14.300 6.700 1.00 0.00 +ATOM 383 HW1 SOL 128 3.630 13.690 6.850 1.00 0.00 +ATOM 384 HW2 SOL 128 2.450 13.950 5.940 1.00 0.00 +ATOM 385 OW SOL 129 26.790 2.140 25.390 1.00 0.00 +ATOM 386 HW1 SOL 129 27.680 1.830 25.590 1.00 0.00 +ATOM 387 HW2 SOL 129 26.900 3.080 25.260 1.00 0.00 +ATOM 388 OW SOL 130 9.810 8.220 17.110 1.00 0.00 +ATOM 389 HW1 SOL 130 9.460 7.520 16.560 1.00 0.00 +ATOM 390 HW2 SOL 130 10.630 8.460 16.690 1.00 0.00 +ATOM 391 OW SOL 131 10.020 14.130 2.890 1.00 0.00 +ATOM 392 HW1 SOL 131 10.840 13.670 2.740 1.00 0.00 +ATOM 393 HW2 SOL 131 10.220 15.040 2.690 1.00 0.00 +ATOM 394 OW SOL 132 7.700 29.610 -0.120 1.00 0.00 +ATOM 395 HW1 SOL 132 7.680 30.530 0.170 1.00 0.00 +ATOM 396 HW2 SOL 132 7.290 29.130 0.610 1.00 0.00 +ATOM 397 OW SOL 133 7.960 7.940 7.830 1.00 0.00 +ATOM 398 HW1 SOL 133 7.490 7.430 7.170 1.00 0.00 +ATOM 399 HW2 SOL 133 7.340 8.030 8.550 1.00 0.00 +ATOM 400 OW SOL 134 24.310 18.770 9.800 1.00 0.00 +ATOM 401 HW1 SOL 134 25.060 18.180 9.750 1.00 0.00 +ATOM 402 HW2 SOL 134 24.680 19.640 9.640 1.00 0.00 +ATOM 403 OW SOL 135 21.710 16.670 3.820 1.00 0.00 +ATOM 404 HW1 SOL 135 21.360 16.330 4.640 1.00 0.00 +ATOM 405 HW2 SOL 135 22.610 16.900 4.020 1.00 0.00 +ATOM 406 OW SOL 136 5.740 26.010 6.630 1.00 0.00 +ATOM 407 HW1 SOL 136 6.480 25.410 6.550 1.00 0.00 +ATOM 408 HW2 SOL 136 5.900 26.680 5.970 1.00 0.00 +ATOM 409 OW SOL 137 22.390 22.030 5.300 1.00 0.00 +ATOM 410 HW1 SOL 137 22.630 22.510 6.090 1.00 0.00 +ATOM 411 HW2 SOL 137 22.400 21.110 5.550 1.00 0.00 +ATOM 412 OW SOL 138 11.950 20.540 9.620 1.00 0.00 +ATOM 413 HW1 SOL 138 11.110 20.660 9.180 1.00 0.00 +ATOM 414 HW2 SOL 138 11.730 20.480 10.550 1.00 0.00 +ATOM 415 OW SOL 139 27.580 28.910 14.800 1.00 0.00 +ATOM 416 HW1 SOL 139 26.790 28.500 15.170 1.00 0.00 +ATOM 417 HW2 SOL 139 27.680 29.720 15.290 1.00 0.00 +ATOM 418 OW SOL 140 6.500 12.830 17.400 1.00 0.00 +ATOM 419 HW1 SOL 140 5.550 12.920 17.540 1.00 0.00 +ATOM 420 HW2 SOL 140 6.570 12.150 16.720 1.00 0.00 +ATOM 421 OW SOL 141 5.650 0.860 11.250 1.00 0.00 +ATOM 422 HW1 SOL 141 6.050 0.920 10.380 1.00 0.00 +ATOM 423 HW2 SOL 141 5.960 0.020 11.600 1.00 0.00 +ATOM 424 OW SOL 142 15.430 3.430 11.150 1.00 0.00 +ATOM 425 HW1 SOL 142 14.960 3.030 10.420 1.00 0.00 +ATOM 426 HW2 SOL 142 15.870 4.190 10.760 1.00 0.00 +ATOM 427 OW SOL 143 3.660 0.470 5.220 1.00 0.00 +ATOM 428 HW1 SOL 143 2.730 0.600 5.070 1.00 0.00 +ATOM 429 HW2 SOL 143 4.070 1.280 4.910 1.00 0.00 +ATOM 430 OW SOL 144 17.190 27.400 6.110 1.00 0.00 +ATOM 431 HW1 SOL 144 17.280 28.280 5.760 1.00 0.00 +ATOM 432 HW2 SOL 144 16.800 26.900 5.390 1.00 0.00 +ATOM 433 OW SOL 145 25.750 13.830 2.420 1.00 0.00 +ATOM 434 HW1 SOL 145 26.330 13.300 1.860 1.00 0.00 +ATOM 435 HW2 SOL 145 25.720 13.350 3.250 1.00 0.00 +ATOM 436 OW SOL 146 25.970 26.100 3.770 1.00 0.00 +ATOM 437 HW1 SOL 146 25.030 25.940 3.830 1.00 0.00 +ATOM 438 HW2 SOL 146 26.060 27.050 3.840 1.00 0.00 +ATOM 439 OW SOL 147 7.260 3.250 15.100 1.00 0.00 +ATOM 440 HW1 SOL 147 7.980 3.650 14.610 1.00 0.00 +ATOM 441 HW2 SOL 147 7.150 2.380 14.700 1.00 0.00 +ATOM 442 OW SOL 148 11.660 18.750 7.100 1.00 0.00 +ATOM 443 HW1 SOL 148 11.660 19.610 7.530 1.00 0.00 +ATOM 444 HW2 SOL 148 11.280 18.160 7.760 1.00 0.00 +ATOM 445 OW SOL 149 2.770 17.800 5.460 1.00 0.00 +ATOM 446 HW1 SOL 149 2.790 18.750 5.330 1.00 0.00 +ATOM 447 HW2 SOL 149 3.350 17.450 4.770 1.00 0.00 +ATOM 448 OW SOL 150 1.820 9.520 24.590 1.00 0.00 +ATOM 449 HW1 SOL 150 2.750 9.390 24.460 1.00 0.00 +ATOM 450 HW2 SOL 150 1.400 8.910 23.990 1.00 0.00 +ATOM 451 OW SOL 151 15.990 10.470 7.290 1.00 0.00 +ATOM 452 HW1 SOL 151 15.090 10.330 7.590 1.00 0.00 +ATOM 453 HW2 SOL 151 15.920 10.450 6.330 1.00 0.00 +ATOM 454 OW SOL 152 19.270 21.210 20.200 1.00 0.00 +ATOM 455 HW1 SOL 152 19.940 21.560 19.610 1.00 0.00 +ATOM 456 HW2 SOL 152 19.750 20.630 20.790 1.00 0.00 +ATOM 457 OW SOL 153 17.860 24.670 20.020 1.00 0.00 +ATOM 458 HW1 SOL 153 17.210 24.010 20.280 1.00 0.00 +ATOM 459 HW2 SOL 153 18.530 24.180 19.550 1.00 0.00 +ATOM 460 OW SOL 154 3.940 23.990 10.830 1.00 0.00 +ATOM 461 HW1 SOL 154 4.200 24.420 11.640 1.00 0.00 +ATOM 462 HW2 SOL 154 2.990 24.140 10.780 1.00 0.00 +ATOM 463 OW SOL 155 6.270 25.350 0.610 1.00 0.00 +ATOM 464 HW1 SOL 155 6.300 24.540 0.110 1.00 0.00 +ATOM 465 HW2 SOL 155 5.440 25.310 1.090 1.00 0.00 +ATOM 466 OW SOL 156 27.750 12.190 11.700 1.00 0.00 +ATOM 467 HW1 SOL 156 28.430 11.560 11.480 1.00 0.00 +ATOM 468 HW2 SOL 156 27.720 12.780 10.940 1.00 0.00 +ATOM 469 OW SOL 157 24.160 28.200 0.530 1.00 0.00 +ATOM 470 HW1 SOL 157 24.490 27.320 0.690 1.00 0.00 +ATOM 471 HW2 SOL 157 24.660 28.520 -0.220 1.00 0.00 +ATOM 472 OW SOL 158 15.760 27.870 25.010 1.00 0.00 +ATOM 473 HW1 SOL 158 16.400 27.770 25.720 1.00 0.00 +ATOM 474 HW2 SOL 158 16.140 28.530 24.440 1.00 0.00 +ATOM 475 OW SOL 159 1.510 11.360 5.360 1.00 0.00 +ATOM 476 HW1 SOL 159 1.850 11.570 4.490 1.00 0.00 +ATOM 477 HW2 SOL 159 2.300 11.240 5.900 1.00 0.00 +ATOM 478 OW SOL 160 13.650 14.380 22.460 1.00 0.00 +ATOM 479 HW1 SOL 160 13.360 14.260 21.560 1.00 0.00 +ATOM 480 HW2 SOL 160 12.960 14.910 22.860 1.00 0.00 +ATOM 481 OW SOL 161 21.230 14.910 27.860 1.00 0.00 +ATOM 482 HW1 SOL 161 21.280 15.080 26.920 1.00 0.00 +ATOM 483 HW2 SOL 161 20.890 15.720 28.240 1.00 0.00 +ATOM 484 OW SOL 162 2.040 2.210 3.660 1.00 0.00 +ATOM 485 HW1 SOL 162 2.710 2.770 3.260 1.00 0.00 +ATOM 486 HW2 SOL 162 1.880 2.600 4.520 1.00 0.00 +ATOM 487 OW SOL 163 18.100 27.670 8.950 1.00 0.00 +ATOM 488 HW1 SOL 163 17.680 27.280 8.190 1.00 0.00 +ATOM 489 HW2 SOL 163 18.980 27.910 8.650 1.00 0.00 +ATOM 490 OW SOL 164 18.670 1.400 21.270 1.00 0.00 +ATOM 491 HW1 SOL 164 18.560 1.170 22.190 1.00 0.00 +ATOM 492 HW2 SOL 164 17.930 0.980 20.830 1.00 0.00 +ATOM 493 OW SOL 165 15.440 22.460 3.440 1.00 0.00 +ATOM 494 HW1 SOL 165 15.160 23.370 3.460 1.00 0.00 +ATOM 495 HW2 SOL 165 15.400 22.180 4.350 1.00 0.00 +ATOM 496 OW SOL 166 9.860 11.500 5.850 1.00 0.00 +ATOM 497 HW1 SOL 166 9.400 12.070 5.240 1.00 0.00 +ATOM 498 HW2 SOL 166 9.430 11.640 6.690 1.00 0.00 +ATOM 499 OW SOL 167 27.390 9.290 1.720 1.00 0.00 +ATOM 500 HW1 SOL 167 28.160 8.920 1.280 1.00 0.00 +ATOM 501 HW2 SOL 167 26.750 8.580 1.700 1.00 0.00 +ATOM 502 OW SOL 168 14.550 20.750 18.100 1.00 0.00 +ATOM 503 HW1 SOL 168 14.350 21.300 17.350 1.00 0.00 +ATOM 504 HW2 SOL 168 15.500 20.850 18.240 1.00 0.00 +ATOM 505 OW SOL 169 4.610 1.170 0.730 1.00 0.00 +ATOM 506 HW1 SOL 169 5.550 1.280 0.640 1.00 0.00 +ATOM 507 HW2 SOL 169 4.340 1.850 1.350 1.00 0.00 +ATOM 508 OW SOL 170 2.070 3.540 25.720 1.00 0.00 +ATOM 509 HW1 SOL 170 2.150 4.090 26.490 1.00 0.00 +ATOM 510 HW2 SOL 170 2.450 4.060 25.010 1.00 0.00 +ATOM 511 OW SOL 171 24.820 21.440 11.250 1.00 0.00 +ATOM 512 HW1 SOL 171 23.960 21.870 11.330 1.00 0.00 +ATOM 513 HW2 SOL 171 24.780 20.710 11.860 1.00 0.00 +ATOM 514 OW SOL 172 16.170 1.530 2.870 1.00 0.00 +ATOM 515 HW1 SOL 172 16.630 1.840 2.090 1.00 0.00 +ATOM 516 HW2 SOL 172 15.410 1.060 2.530 1.00 0.00 +ATOM 517 OW SOL 173 15.060 24.280 22.900 1.00 0.00 +ATOM 518 HW1 SOL 173 14.240 23.860 22.630 1.00 0.00 +ATOM 519 HW2 SOL 173 15.730 23.840 22.390 1.00 0.00 +ATOM 520 OW SOL 174 19.920 27.700 5.930 1.00 0.00 +ATOM 521 HW1 SOL 174 20.480 27.160 5.380 1.00 0.00 +ATOM 522 HW2 SOL 174 19.030 27.400 5.730 1.00 0.00 +ATOM 523 OW SOL 175 8.810 22.530 5.510 1.00 0.00 +ATOM 524 HW1 SOL 175 8.480 23.420 5.670 1.00 0.00 +ATOM 525 HW2 SOL 175 9.750 22.580 5.680 1.00 0.00 +ATOM 526 OW SOL 176 25.210 10.640 16.090 1.00 0.00 +ATOM 527 HW1 SOL 176 24.440 10.820 15.540 1.00 0.00 +ATOM 528 HW2 SOL 176 25.940 10.630 15.480 1.00 0.00 +ATOM 529 OW SOL 177 12.930 29.690 16.090 1.00 0.00 +ATOM 530 HW1 SOL 177 12.030 30.020 16.090 1.00 0.00 +ATOM 531 HW2 SOL 177 12.850 28.780 16.390 1.00 0.00 +ATOM 532 OW SOL 178 3.140 19.730 14.180 1.00 0.00 +ATOM 533 HW1 SOL 178 4.020 19.920 14.480 1.00 0.00 +ATOM 534 HW2 SOL 178 3.140 18.790 14.000 1.00 0.00 +ATOM 535 OW SOL 179 25.700 15.020 6.550 1.00 0.00 +ATOM 536 HW1 SOL 179 25.750 14.260 7.140 1.00 0.00 +ATOM 537 HW2 SOL 179 26.520 14.990 6.060 1.00 0.00 +ATOM 538 OW SOL 180 25.160 0.860 20.020 1.00 0.00 +ATOM 539 HW1 SOL 180 25.470 0.990 20.920 1.00 0.00 +ATOM 540 HW2 SOL 180 24.610 1.620 19.850 1.00 0.00 +ATOM 541 OW SOL 181 3.590 21.560 24.030 1.00 0.00 +ATOM 542 HW1 SOL 181 2.650 21.670 24.140 1.00 0.00 +ATOM 543 HW2 SOL 181 3.900 22.410 23.720 1.00 0.00 +ATOM 544 OW SOL 182 26.340 21.790 22.890 1.00 0.00 +ATOM 545 HW1 SOL 182 26.900 21.180 22.410 1.00 0.00 +ATOM 546 HW2 SOL 182 26.870 22.060 23.640 1.00 0.00 +ATOM 547 OW SOL 183 10.910 20.080 12.100 1.00 0.00 +ATOM 548 HW1 SOL 183 10.970 20.580 12.920 1.00 0.00 +ATOM 549 HW2 SOL 183 11.440 19.300 12.260 1.00 0.00 +ATOM 550 OW SOL 184 14.010 2.150 23.670 1.00 0.00 +ATOM 551 HW1 SOL 184 14.580 2.840 23.990 1.00 0.00 +ATOM 552 HW2 SOL 184 13.840 2.370 22.750 1.00 0.00 +ATOM 553 OW SOL 185 4.000 5.470 11.110 1.00 0.00 +ATOM 554 HW1 SOL 185 4.040 6.290 10.610 1.00 0.00 +ATOM 555 HW2 SOL 185 3.430 5.680 11.860 1.00 0.00 +ATOM 556 OW SOL 186 22.090 29.430 10.020 1.00 0.00 +ATOM 557 HW1 SOL 186 22.290 30.340 10.240 1.00 0.00 +ATOM 558 HW2 SOL 186 21.160 29.330 10.200 1.00 0.00 +ATOM 559 OW SOL 187 17.340 4.240 17.500 1.00 0.00 +ATOM 560 HW1 SOL 187 17.630 3.370 17.800 1.00 0.00 +ATOM 561 HW2 SOL 187 17.230 4.750 18.300 1.00 0.00 +ATOM 562 OW SOL 188 18.560 24.790 4.350 1.00 0.00 +ATOM 563 HW1 SOL 188 18.430 25.430 3.650 1.00 0.00 +ATOM 564 HW2 SOL 188 19.330 24.280 4.070 1.00 0.00 +ATOM 565 OW SOL 189 29.870 6.510 28.260 1.00 0.00 +ATOM 566 HW1 SOL 189 29.330 5.730 28.130 1.00 0.00 +ATOM 567 HW2 SOL 189 30.760 6.210 28.060 1.00 0.00 +ATOM 568 OW SOL 190 21.750 8.430 15.100 1.00 0.00 +ATOM 569 HW1 SOL 190 20.820 8.480 15.330 1.00 0.00 +ATOM 570 HW2 SOL 190 22.030 9.340 15.010 1.00 0.00 +ATOM 571 OW SOL 191 3.620 20.380 18.170 1.00 0.00 +ATOM 572 HW1 SOL 191 3.410 21.010 17.480 1.00 0.00 +ATOM 573 HW2 SOL 191 4.040 19.650 17.700 1.00 0.00 +ATOM 574 OW SOL 192 16.250 21.190 13.660 1.00 0.00 +ATOM 575 HW1 SOL 192 16.650 20.410 14.040 1.00 0.00 +ATOM 576 HW2 SOL 192 16.810 21.410 12.920 1.00 0.00 +ATOM 577 OW SOL 193 25.160 26.100 19.330 1.00 0.00 +ATOM 578 HW1 SOL 193 25.070 25.390 18.690 1.00 0.00 +ATOM 579 HW2 SOL 193 25.200 25.660 20.180 1.00 0.00 +ATOM 580 OW SOL 194 23.190 29.690 17.230 1.00 0.00 +ATOM 581 HW1 SOL 194 23.840 30.400 17.270 1.00 0.00 +ATOM 582 HW2 SOL 194 22.410 30.060 17.660 1.00 0.00 +ATOM 583 OW SOL 195 13.340 3.560 20.480 1.00 0.00 +ATOM 584 HW1 SOL 195 13.870 3.330 19.720 1.00 0.00 +ATOM 585 HW2 SOL 195 13.050 2.720 20.830 1.00 0.00 +ATOM 586 OW SOL 196 28.800 9.090 14.070 1.00 0.00 +ATOM 587 HW1 SOL 196 28.460 8.970 14.960 1.00 0.00 +ATOM 588 HW2 SOL 196 28.440 9.930 13.790 1.00 0.00 +ATOM 589 OW SOL 197 3.710 1.340 25.860 1.00 0.00 +ATOM 590 HW1 SOL 197 3.120 2.090 25.790 1.00 0.00 +ATOM 591 HW2 SOL 197 4.020 1.380 26.760 1.00 0.00 +ATOM 592 OW SOL 198 23.750 27.960 3.360 1.00 0.00 +ATOM 593 HW1 SOL 198 23.510 28.680 3.950 1.00 0.00 +ATOM 594 HW2 SOL 198 24.210 28.390 2.640 1.00 0.00 +ATOM 595 OW SOL 199 29.670 23.420 22.150 1.00 0.00 +ATOM 596 HW1 SOL 199 29.310 24.230 22.510 1.00 0.00 +ATOM 597 HW2 SOL 199 29.630 22.800 22.880 1.00 0.00 +ATOM 598 OW SOL 200 21.830 29.360 14.550 1.00 0.00 +ATOM 599 HW1 SOL 200 22.180 29.400 15.430 1.00 0.00 +ATOM 600 HW2 SOL 200 20.880 29.410 14.670 1.00 0.00 +ATOM 601 OW SOL 201 4.180 13.440 1.970 1.00 0.00 +ATOM 602 HW1 SOL 201 4.940 12.980 1.620 1.00 0.00 +ATOM 603 HW2 SOL 201 3.550 12.750 2.170 1.00 0.00 +ATOM 604 OW SOL 202 17.770 5.830 19.700 1.00 0.00 +ATOM 605 HW1 SOL 202 18.710 5.670 19.790 1.00 0.00 +ATOM 606 HW2 SOL 202 17.450 5.890 20.610 1.00 0.00 +ATOM 607 OW SOL 203 25.950 21.170 2.870 1.00 0.00 +ATOM 608 HW1 SOL 203 25.730 21.940 2.350 1.00 0.00 +ATOM 609 HW2 SOL 203 26.610 20.710 2.350 1.00 0.00 +ATOM 610 OW SOL 204 5.660 22.330 18.990 1.00 0.00 +ATOM 611 HW1 SOL 204 4.920 21.750 18.820 1.00 0.00 +ATOM 612 HW2 SOL 204 5.800 22.800 18.170 1.00 0.00 +ATOM 613 OW SOL 205 26.830 29.160 30.060 1.00 0.00 +ATOM 614 HW1 SOL 205 27.160 28.790 29.240 1.00 0.00 +ATOM 615 HW2 SOL 205 27.060 30.090 30.020 1.00 0.00 +ATOM 616 OW SOL 206 17.430 1.620 8.590 1.00 0.00 +ATOM 617 HW1 SOL 206 17.870 1.470 7.760 1.00 0.00 +ATOM 618 HW2 SOL 206 18.140 1.780 9.220 1.00 0.00 +ATOM 619 OW SOL 207 1.660 4.570 13.090 1.00 0.00 +ATOM 620 HW1 SOL 207 1.720 4.150 12.230 1.00 0.00 +ATOM 621 HW2 SOL 207 1.030 5.280 12.970 1.00 0.00 +ATOM 622 OW SOL 208 14.900 4.350 24.830 1.00 0.00 +ATOM 623 HW1 SOL 208 15.350 5.170 25.050 1.00 0.00 +ATOM 624 HW2 SOL 208 13.990 4.500 25.070 1.00 0.00 +ATOM 625 OW SOL 209 6.750 0.330 8.790 1.00 0.00 +ATOM 626 HW1 SOL 209 7.410 -0.120 9.320 1.00 0.00 +ATOM 627 HW2 SOL 209 7.200 0.510 7.960 1.00 0.00 +ATOM 628 OW SOL 210 4.300 8.320 4.100 1.00 0.00 +ATOM 629 HW1 SOL 210 4.980 7.650 4.090 1.00 0.00 +ATOM 630 HW2 SOL 210 3.710 8.060 4.810 1.00 0.00 +ATOM 631 OW SOL 211 18.320 15.140 25.750 1.00 0.00 +ATOM 632 HW1 SOL 211 19.190 14.980 25.390 1.00 0.00 +ATOM 633 HW2 SOL 211 18.380 14.850 26.660 1.00 0.00 +ATOM 634 OW SOL 212 20.150 3.940 1.900 1.00 0.00 +ATOM 635 HW1 SOL 212 20.350 3.900 0.960 1.00 0.00 +ATOM 636 HW2 SOL 212 20.950 3.650 2.330 1.00 0.00 +ATOM 637 OW SOL 213 7.930 10.680 28.020 1.00 0.00 +ATOM 638 HW1 SOL 213 8.840 10.950 27.860 1.00 0.00 +ATOM 639 HW2 SOL 213 7.880 10.560 28.970 1.00 0.00 +ATOM 640 OW SOL 214 15.390 7.060 22.840 1.00 0.00 +ATOM 641 HW1 SOL 214 14.840 7.620 22.290 1.00 0.00 +ATOM 642 HW2 SOL 214 14.820 6.330 23.090 1.00 0.00 +ATOM 643 OW SOL 215 3.000 11.590 10.130 1.00 0.00 +ATOM 644 HW1 SOL 215 2.710 12.380 10.590 1.00 0.00 +ATOM 645 HW2 SOL 215 2.950 10.900 10.780 1.00 0.00 +ATOM 646 OW SOL 216 27.040 4.920 10.610 1.00 0.00 +ATOM 647 HW1 SOL 216 27.030 5.290 9.720 1.00 0.00 +ATOM 648 HW2 SOL 216 26.210 4.450 10.680 1.00 0.00 +ATOM 649 OW SOL 217 3.110 25.640 29.080 1.00 0.00 +ATOM 650 HW1 SOL 217 2.500 26.060 28.480 1.00 0.00 +ATOM 651 HW2 SOL 217 3.850 25.380 28.520 1.00 0.00 +ATOM 652 OW SOL 218 17.670 15.750 13.910 1.00 0.00 +ATOM 653 HW1 SOL 218 18.540 15.400 14.070 1.00 0.00 +ATOM 654 HW2 SOL 218 17.670 15.980 12.980 1.00 0.00 +ATOM 655 OW SOL 219 20.570 12.270 8.930 1.00 0.00 +ATOM 656 HW1 SOL 219 20.070 12.800 8.310 1.00 0.00 +ATOM 657 HW2 SOL 219 20.520 12.750 9.760 1.00 0.00 +ATOM 658 OW SOL 220 3.540 3.770 2.010 1.00 0.00 +ATOM 659 HW1 SOL 220 2.680 4.110 1.750 1.00 0.00 +ATOM 660 HW2 SOL 220 4.140 4.070 1.320 1.00 0.00 +ATOM 661 OW SOL 221 12.510 13.270 2.340 1.00 0.00 +ATOM 662 HW1 SOL 221 12.500 13.890 1.610 1.00 0.00 +ATOM 663 HW2 SOL 221 12.890 12.470 1.980 1.00 0.00 +ATOM 664 OW SOL 222 21.570 23.150 21.420 1.00 0.00 +ATOM 665 HW1 SOL 222 21.370 23.920 20.890 1.00 0.00 +ATOM 666 HW2 SOL 222 20.900 23.140 22.100 1.00 0.00 +ATOM 667 OW SOL 223 19.550 21.460 23.810 1.00 0.00 +ATOM 668 HW1 SOL 223 20.380 21.050 24.050 1.00 0.00 +ATOM 669 HW2 SOL 223 19.190 20.890 23.130 1.00 0.00 +ATOM 670 OW SOL 224 9.570 29.540 11.390 1.00 0.00 +ATOM 671 HW1 SOL 224 9.390 29.480 10.450 1.00 0.00 +ATOM 672 HW2 SOL 224 10.440 29.150 11.490 1.00 0.00 +ATOM 673 OW SOL 225 26.880 24.400 1.830 1.00 0.00 +ATOM 674 HW1 SOL 225 27.720 24.020 2.100 1.00 0.00 +ATOM 675 HW2 SOL 225 26.630 24.980 2.550 1.00 0.00 +ATOM 676 OW SOL 226 10.590 29.040 21.710 1.00 0.00 +ATOM 677 HW1 SOL 226 10.220 29.320 22.550 1.00 0.00 +ATOM 678 HW2 SOL 226 9.990 28.370 21.390 1.00 0.00 +ATOM 679 OW SOL 227 18.750 27.210 21.500 1.00 0.00 +ATOM 680 HW1 SOL 227 19.700 27.180 21.520 1.00 0.00 +ATOM 681 HW2 SOL 227 18.500 26.490 20.920 1.00 0.00 +ATOM 682 OW SOL 228 30.050 10.640 26.010 1.00 0.00 +ATOM 683 HW1 SOL 228 29.440 10.950 25.340 1.00 0.00 +ATOM 684 HW2 SOL 228 30.740 10.200 25.520 1.00 0.00 +ATOM 685 OW SOL 229 7.800 7.400 29.150 1.00 0.00 +ATOM 686 HW1 SOL 229 8.620 7.600 28.700 1.00 0.00 +ATOM 687 HW2 SOL 229 7.110 7.610 28.520 1.00 0.00 +ATOM 688 OW SOL 230 11.810 9.350 12.820 1.00 0.00 +ATOM 689 HW1 SOL 230 12.170 10.230 12.970 1.00 0.00 +ATOM 690 HW2 SOL 230 11.330 9.430 11.990 1.00 0.00 +ATOM 691 OW SOL 231 26.960 24.750 29.210 1.00 0.00 +ATOM 692 HW1 SOL 231 26.020 24.890 29.270 1.00 0.00 +ATOM 693 HW2 SOL 231 27.270 24.800 30.120 1.00 0.00 +ATOM 694 OW SOL 232 16.910 4.800 7.330 1.00 0.00 +ATOM 695 HW1 SOL 232 17.860 4.810 7.480 1.00 0.00 +ATOM 696 HW2 SOL 232 16.630 5.690 7.530 1.00 0.00 +ATOM 697 OW SOL 233 29.890 17.820 12.370 1.00 0.00 +ATOM 698 HW1 SOL 233 30.680 17.570 11.890 1.00 0.00 +ATOM 699 HW2 SOL 233 29.280 18.100 11.690 1.00 0.00 +ATOM 700 OW SOL 234 23.910 26.300 8.430 1.00 0.00 +ATOM 701 HW1 SOL 234 23.890 27.220 8.150 1.00 0.00 +ATOM 702 HW2 SOL 234 23.780 26.330 9.380 1.00 0.00 +ATOM 703 OW SOL 235 10.940 6.690 3.230 1.00 0.00 +ATOM 704 HW1 SOL 235 10.230 7.330 3.110 1.00 0.00 +ATOM 705 HW2 SOL 235 11.380 6.670 2.380 1.00 0.00 +ATOM 706 OW SOL 236 9.760 10.680 14.420 1.00 0.00 +ATOM 707 HW1 SOL 236 9.730 11.290 13.680 1.00 0.00 +ATOM 708 HW2 SOL 236 10.330 9.970 14.120 1.00 0.00 +ATOM 709 OW SOL 237 20.640 25.640 9.970 1.00 0.00 +ATOM 710 HW1 SOL 237 20.210 26.470 10.150 1.00 0.00 +ATOM 711 HW2 SOL 237 19.950 24.980 10.100 1.00 0.00 +ATOM 712 OW SOL 238 18.840 14.900 2.790 1.00 0.00 +ATOM 713 HW1 SOL 238 18.630 15.630 3.360 1.00 0.00 +ATOM 714 HW2 SOL 238 19.090 15.310 1.960 1.00 0.00 +ATOM 715 OW SOL 239 16.610 19.760 2.420 1.00 0.00 +ATOM 716 HW1 SOL 239 16.960 20.260 3.160 1.00 0.00 +ATOM 717 HW2 SOL 239 15.810 20.220 2.180 1.00 0.00 +ATOM 718 OW SOL 240 0.880 24.500 1.550 1.00 0.00 +ATOM 719 HW1 SOL 240 1.640 24.210 2.060 1.00 0.00 +ATOM 720 HW2 SOL 240 0.130 24.070 1.970 1.00 0.00 +ATOM 721 OW SOL 241 14.180 25.360 0.890 1.00 0.00 +ATOM 722 HW1 SOL 241 13.880 26.260 0.750 1.00 0.00 +ATOM 723 HW2 SOL 241 14.400 25.050 0.010 1.00 0.00 +ATOM 724 OW SOL 242 21.330 16.450 16.260 1.00 0.00 +ATOM 725 HW1 SOL 242 21.220 16.090 15.380 1.00 0.00 +ATOM 726 HW2 SOL 242 21.630 15.710 16.780 1.00 0.00 +ATOM 727 OW SOL 243 24.150 17.140 4.460 1.00 0.00 +ATOM 728 HW1 SOL 243 24.690 17.870 4.760 1.00 0.00 +ATOM 729 HW2 SOL 243 24.440 16.390 4.980 1.00 0.00 +ATOM 730 OW SOL 244 9.480 26.460 2.420 1.00 0.00 +ATOM 731 HW1 SOL 244 9.210 25.580 2.190 1.00 0.00 +ATOM 732 HW2 SOL 244 8.700 27.000 2.280 1.00 0.00 +ATOM 733 OW SOL 245 19.600 11.480 15.260 1.00 0.00 +ATOM 734 HW1 SOL 245 20.060 11.070 14.520 1.00 0.00 +ATOM 735 HW2 SOL 245 18.700 11.150 15.190 1.00 0.00 +ATOM 736 OW SOL 246 15.550 12.860 28.070 1.00 0.00 +ATOM 737 HW1 SOL 246 15.540 13.500 27.350 1.00 0.00 +ATOM 738 HW2 SOL 246 15.360 13.380 28.850 1.00 0.00 +ATOM 739 OW SOL 247 15.450 7.200 13.940 1.00 0.00 +ATOM 740 HW1 SOL 247 15.590 7.930 14.550 1.00 0.00 +ATOM 741 HW2 SOL 247 14.790 6.660 14.370 1.00 0.00 +ATOM 742 OW SOL 248 24.360 28.600 21.540 1.00 0.00 +ATOM 743 HW1 SOL 248 24.500 28.980 20.670 1.00 0.00 +ATOM 744 HW2 SOL 248 24.620 29.300 22.140 1.00 0.00 +ATOM 745 OW SOL 249 8.380 20.450 11.520 1.00 0.00 +ATOM 746 HW1 SOL 249 9.270 20.090 11.470 1.00 0.00 +ATOM 747 HW2 SOL 249 8.480 21.370 11.280 1.00 0.00 +ATOM 748 OW SOL 250 24.470 8.730 17.970 1.00 0.00 +ATOM 749 HW1 SOL 250 25.330 8.430 17.680 1.00 0.00 +ATOM 750 HW2 SOL 250 24.260 9.460 17.400 1.00 0.00 +ATOM 751 OW SOL 251 13.800 29.150 29.210 1.00 0.00 +ATOM 752 HW1 SOL 251 13.240 29.930 29.170 1.00 0.00 +ATOM 753 HW2 SOL 251 13.330 28.540 29.770 1.00 0.00 +ATOM 754 OW SOL 252 4.210 29.760 7.760 1.00 0.00 +ATOM 755 HW1 SOL 252 4.070 30.130 6.890 1.00 0.00 +ATOM 756 HW2 SOL 252 5.010 30.170 8.080 1.00 0.00 +ATOM 757 OW SOL 253 2.230 17.010 15.610 1.00 0.00 +ATOM 758 HW1 SOL 253 2.890 17.630 15.920 1.00 0.00 +ATOM 759 HW2 SOL 253 1.430 17.270 16.070 1.00 0.00 +ATOM 760 OW SOL 254 28.090 20.960 17.820 1.00 0.00 +ATOM 761 HW1 SOL 254 27.630 21.790 17.880 1.00 0.00 +ATOM 762 HW2 SOL 254 27.420 20.300 17.960 1.00 0.00 +ATOM 763 OW SOL 255 5.910 5.430 21.610 1.00 0.00 +ATOM 764 HW1 SOL 255 6.820 5.620 21.410 1.00 0.00 +ATOM 765 HW2 SOL 255 5.760 4.570 21.220 1.00 0.00 +ATOM 766 OW SOL 256 6.600 2.610 28.070 1.00 0.00 +ATOM 767 HW1 SOL 256 7.550 2.460 28.130 1.00 0.00 +ATOM 768 HW2 SOL 256 6.410 2.600 27.130 1.00 0.00 +ATOM 769 OW SOL 257 14.400 9.910 25.700 1.00 0.00 +ATOM 770 HW1 SOL 257 14.980 10.680 25.770 1.00 0.00 +ATOM 771 HW2 SOL 257 14.870 9.310 25.120 1.00 0.00 +ATOM 772 OW SOL 258 21.210 10.100 11.710 1.00 0.00 +ATOM 773 HW1 SOL 258 21.760 10.670 12.250 1.00 0.00 +ATOM 774 HW2 SOL 258 20.340 10.500 11.750 1.00 0.00 +ATOM 775 OW SOL 259 10.300 26.950 28.640 1.00 0.00 +ATOM 776 HW1 SOL 259 10.500 26.650 27.750 1.00 0.00 +ATOM 777 HW2 SOL 259 9.350 26.940 28.690 1.00 0.00 +ATOM 778 OW SOL 260 6.420 6.380 14.180 1.00 0.00 +ATOM 779 HW1 SOL 260 6.040 5.530 14.400 1.00 0.00 +ATOM 780 HW2 SOL 260 6.780 6.270 13.310 1.00 0.00 +ATOM 781 OW SOL 261 1.300 26.920 27.640 1.00 0.00 +ATOM 782 HW1 SOL 261 2.000 27.540 27.430 1.00 0.00 +ATOM 783 HW2 SOL 261 1.210 26.380 26.860 1.00 0.00 +ATOM 784 OW SOL 262 0.350 26.690 7.700 1.00 0.00 +ATOM 785 HW1 SOL 262 0.740 27.510 8.000 1.00 0.00 +ATOM 786 HW2 SOL 262 1.100 26.150 7.450 1.00 0.00 +ATOM 787 OW SOL 263 21.360 5.960 12.020 1.00 0.00 +ATOM 788 HW1 SOL 263 20.740 5.370 11.580 1.00 0.00 +ATOM 789 HW2 SOL 263 21.260 5.750 12.950 1.00 0.00 +ATOM 790 OW SOL 264 10.340 3.710 29.120 1.00 0.00 +ATOM 791 HW1 SOL 264 10.100 3.880 30.030 1.00 0.00 +ATOM 792 HW2 SOL 264 9.860 4.370 28.620 1.00 0.00 +ATOM 793 OW SOL 265 25.580 3.650 28.870 1.00 0.00 +ATOM 794 HW1 SOL 265 24.980 4.210 29.360 1.00 0.00 +ATOM 795 HW2 SOL 265 26.000 3.110 29.540 1.00 0.00 +ATOM 796 OW SOL 266 11.310 6.230 24.450 1.00 0.00 +ATOM 797 HW1 SOL 266 12.100 5.970 24.940 1.00 0.00 +ATOM 798 HW2 SOL 266 11.580 6.200 23.530 1.00 0.00 +ATOM 799 OW SOL 267 9.960 16.570 26.720 1.00 0.00 +ATOM 800 HW1 SOL 267 9.200 16.010 26.570 1.00 0.00 +ATOM 801 HW2 SOL 267 9.600 17.460 26.760 1.00 0.00 +ATOM 802 OW SOL 268 4.300 18.950 22.970 1.00 0.00 +ATOM 803 HW1 SOL 268 4.480 18.970 22.030 1.00 0.00 +ATOM 804 HW2 SOL 268 3.880 19.790 23.150 1.00 0.00 +ATOM 805 OW SOL 269 12.800 13.290 29.230 1.00 0.00 +ATOM 806 HW1 SOL 269 12.830 13.580 28.310 1.00 0.00 +ATOM 807 HW2 SOL 269 13.420 12.570 29.270 1.00 0.00 +ATOM 808 OW SOL 270 17.360 -0.330 5.150 1.00 0.00 +ATOM 809 HW1 SOL 270 16.680 0.350 5.100 1.00 0.00 +ATOM 810 HW2 SOL 270 18.130 0.130 5.470 1.00 0.00 +ATOM 811 OW SOL 271 9.510 4.440 1.420 1.00 0.00 +ATOM 812 HW1 SOL 271 9.920 4.750 2.230 1.00 0.00 +ATOM 813 HW2 SOL 271 8.830 5.090 1.230 1.00 0.00 +ATOM 814 OW SOL 272 -0.010 17.590 0.550 1.00 0.00 +ATOM 815 HW1 SOL 272 0.200 17.520 -0.380 1.00 0.00 +ATOM 816 HW2 SOL 272 0.310 16.780 0.930 1.00 0.00 +ATOM 817 OW SOL 273 16.250 7.460 27.170 1.00 0.00 +ATOM 818 HW1 SOL 273 16.330 8.040 26.410 1.00 0.00 +ATOM 819 HW2 SOL 273 17.150 7.280 27.430 1.00 0.00 +ATOM 820 OW SOL 274 14.410 25.690 19.500 1.00 0.00 +ATOM 821 HW1 SOL 274 14.840 26.300 20.100 1.00 0.00 +ATOM 822 HW2 SOL 274 15.000 25.640 18.750 1.00 0.00 +ATOM 823 OW SOL 275 19.430 29.360 10.900 1.00 0.00 +ATOM 824 HW1 SOL 275 18.890 28.590 11.050 1.00 0.00 +ATOM 825 HW2 SOL 275 19.200 29.960 11.610 1.00 0.00 +ATOM 826 OW SOL 276 28.070 13.510 19.550 1.00 0.00 +ATOM 827 HW1 SOL 276 27.460 13.160 18.890 1.00 0.00 +ATOM 828 HW2 SOL 276 27.630 13.370 20.380 1.00 0.00 +ATOM 829 OW SOL 277 9.970 20.340 19.510 1.00 0.00 +ATOM 830 HW1 SOL 277 9.330 19.810 19.050 1.00 0.00 +ATOM 831 HW2 SOL 277 9.980 19.990 20.400 1.00 0.00 +ATOM 832 OW SOL 278 6.880 27.220 9.370 1.00 0.00 +ATOM 833 HW1 SOL 278 7.710 26.760 9.230 1.00 0.00 +ATOM 834 HW2 SOL 278 6.450 27.210 8.520 1.00 0.00 +ATOM 835 OW SOL 279 24.230 13.430 15.470 1.00 0.00 +ATOM 836 HW1 SOL 279 24.780 14.080 15.900 1.00 0.00 +ATOM 837 HW2 SOL 279 23.450 13.370 16.020 1.00 0.00 +ATOM 838 OW SOL 280 23.070 23.690 24.790 1.00 0.00 +ATOM 839 HW1 SOL 280 22.300 23.920 25.300 1.00 0.00 +ATOM 840 HW2 SOL 280 22.870 24.000 23.910 1.00 0.00 +ATOM 841 OW SOL 281 15.920 28.150 2.980 1.00 0.00 +ATOM 842 HW1 SOL 281 15.460 28.790 2.440 1.00 0.00 +ATOM 843 HW2 SOL 281 16.380 28.670 3.640 1.00 0.00 +ATOM 844 OW SOL 282 24.150 22.690 20.340 1.00 0.00 +ATOM 845 HW1 SOL 282 24.710 23.200 20.910 1.00 0.00 +ATOM 846 HW2 SOL 282 23.330 22.590 20.830 1.00 0.00 +ATOM 847 OW SOL 283 3.020 1.890 21.000 1.00 0.00 +ATOM 848 HW1 SOL 283 3.890 2.290 21.060 1.00 0.00 +ATOM 849 HW2 SOL 283 2.890 1.480 21.850 1.00 0.00 +ATOM 850 OW SOL 284 23.240 4.920 0.250 1.00 0.00 +ATOM 851 HW1 SOL 284 22.620 5.650 0.280 1.00 0.00 +ATOM 852 HW2 SOL 284 23.280 4.600 1.150 1.00 0.00 +ATOM 853 OW SOL 285 1.320 22.910 26.680 1.00 0.00 +ATOM 854 HW1 SOL 285 0.870 23.100 27.500 1.00 0.00 +ATOM 855 HW2 SOL 285 1.250 23.720 26.180 1.00 0.00 +ATOM 856 OW SOL 286 29.260 24.520 9.170 1.00 0.00 +ATOM 857 HW1 SOL 286 29.610 24.990 8.410 1.00 0.00 +ATOM 858 HW2 SOL 286 29.310 23.600 8.930 1.00 0.00 +ATOM 859 OW SOL 287 22.660 14.050 10.760 1.00 0.00 +ATOM 860 HW1 SOL 287 23.250 14.680 11.180 1.00 0.00 +ATOM 861 HW2 SOL 287 22.010 13.850 11.440 1.00 0.00 +ATOM 862 OW SOL 288 3.650 6.480 29.760 1.00 0.00 +ATOM 863 HW1 SOL 288 3.430 6.800 30.630 1.00 0.00 +ATOM 864 HW2 SOL 288 3.880 7.280 29.270 1.00 0.00 +ATOM 865 OW SOL 289 18.490 23.180 14.170 1.00 0.00 +ATOM 866 HW1 SOL 289 18.920 22.370 14.440 1.00 0.00 +ATOM 867 HW2 SOL 289 17.550 22.990 14.230 1.00 0.00 +ATOM 868 OW SOL 290 20.330 27.620 18.800 1.00 0.00 +ATOM 869 HW1 SOL 290 20.490 28.550 18.920 1.00 0.00 +ATOM 870 HW2 SOL 290 21.050 27.190 19.280 1.00 0.00 +ATOM 871 OW SOL 291 12.760 25.530 6.130 1.00 0.00 +ATOM 872 HW1 SOL 291 12.490 24.740 5.660 1.00 0.00 +ATOM 873 HW2 SOL 291 13.130 26.100 5.460 1.00 0.00 +ATOM 874 OW SOL 292 23.170 6.200 26.850 1.00 0.00 +ATOM 875 HW1 SOL 292 23.980 6.470 27.290 1.00 0.00 +ATOM 876 HW2 SOL 292 23.430 5.480 26.280 1.00 0.00 +ATOM 877 OW SOL 293 24.540 15.260 13.090 1.00 0.00 +ATOM 878 HW1 SOL 293 24.870 14.680 13.770 1.00 0.00 +ATOM 879 HW2 SOL 293 25.220 15.920 12.970 1.00 0.00 +ATOM 880 OW SOL 294 27.480 8.870 17.790 1.00 0.00 +ATOM 881 HW1 SOL 294 27.910 8.460 17.040 1.00 0.00 +ATOM 882 HW2 SOL 294 27.820 9.760 17.810 1.00 0.00 +ATOM 883 OW SOL 295 10.030 19.810 3.960 1.00 0.00 +ATOM 884 HW1 SOL 295 10.640 20.350 3.450 1.00 0.00 +ATOM 885 HW2 SOL 295 10.070 20.180 4.840 1.00 0.00 +ATOM 886 OW SOL 296 9.860 4.090 22.750 1.00 0.00 +ATOM 887 HW1 SOL 296 9.510 4.570 22.000 1.00 0.00 +ATOM 888 HW2 SOL 296 10.290 4.760 23.290 1.00 0.00 +ATOM 889 OW SOL 297 27.810 18.140 28.810 1.00 0.00 +ATOM 890 HW1 SOL 297 27.030 17.590 28.810 1.00 0.00 +ATOM 891 HW2 SOL 297 28.160 18.060 29.700 1.00 0.00 +ATOM 892 OW SOL 298 18.580 4.410 12.130 1.00 0.00 +ATOM 893 HW1 SOL 298 18.330 4.470 13.050 1.00 0.00 +ATOM 894 HW2 SOL 298 17.890 4.870 11.660 1.00 0.00 +ATOM 895 OW SOL 299 7.140 19.150 3.780 1.00 0.00 +ATOM 896 HW1 SOL 299 7.780 19.590 3.220 1.00 0.00 +ATOM 897 HW2 SOL 299 6.850 18.390 3.260 1.00 0.00 +ATOM 898 OW SOL 300 8.550 1.680 22.060 1.00 0.00 +ATOM 899 HW1 SOL 300 8.900 2.550 22.260 1.00 0.00 +ATOM 900 HW2 SOL 300 9.190 1.300 21.450 1.00 0.00 +ATOM 901 OW SOL 301 18.650 8.720 21.810 1.00 0.00 +ATOM 902 HW1 SOL 301 18.710 9.230 22.610 1.00 0.00 +ATOM 903 HW2 SOL 301 17.710 8.590 21.670 1.00 0.00 +ATOM 904 OW SOL 302 18.910 10.090 24.450 1.00 0.00 +ATOM 905 HW1 SOL 302 19.840 10.200 24.250 1.00 0.00 +ATOM 906 HW2 SOL 302 18.890 9.900 25.390 1.00 0.00 +ATOM 907 OW SOL 303 22.060 18.980 19.230 1.00 0.00 +ATOM 908 HW1 SOL 303 21.300 18.500 18.890 1.00 0.00 +ATOM 909 HW2 SOL 303 21.950 19.860 18.880 1.00 0.00 +ATOM 910 OW SOL 304 9.000 17.060 12.670 1.00 0.00 +ATOM 911 HW1 SOL 304 9.690 17.100 12.000 1.00 0.00 +ATOM 912 HW2 SOL 304 8.200 17.310 12.210 1.00 0.00 +ATOM 913 OW SOL 305 17.680 5.430 22.220 1.00 0.00 +ATOM 914 HW1 SOL 305 16.940 5.610 22.780 1.00 0.00 +ATOM 915 HW2 SOL 305 18.310 4.980 22.780 1.00 0.00 +ATOM 916 OW SOL 306 4.650 2.150 14.010 1.00 0.00 +ATOM 917 HW1 SOL 306 5.190 1.360 13.950 1.00 0.00 +ATOM 918 HW2 SOL 306 3.840 1.910 13.550 1.00 0.00 +ATOM 919 OW SOL 307 21.610 26.630 3.970 1.00 0.00 +ATOM 920 HW1 SOL 307 22.440 27.000 3.680 1.00 0.00 +ATOM 921 HW2 SOL 307 20.950 27.100 3.450 1.00 0.00 +ATOM 922 OW SOL 308 6.910 18.130 11.300 1.00 0.00 +ATOM 923 HW1 SOL 308 7.470 18.900 11.370 1.00 0.00 +ATOM 924 HW2 SOL 308 6.260 18.360 10.640 1.00 0.00 +ATOM 925 OW SOL 309 20.020 1.140 29.170 1.00 0.00 +ATOM 926 HW1 SOL 309 20.690 0.510 28.920 1.00 0.00 +ATOM 927 HW2 SOL 309 20.510 1.930 29.400 1.00 0.00 +ATOM 928 OW SOL 310 17.180 10.600 14.140 1.00 0.00 +ATOM 929 HW1 SOL 310 17.120 10.360 13.210 1.00 0.00 +ATOM 930 HW2 SOL 310 17.050 11.550 14.140 1.00 0.00 +ATOM 931 OW SOL 311 7.030 19.820 18.790 1.00 0.00 +ATOM 932 HW1 SOL 311 6.600 20.640 19.030 1.00 0.00 +ATOM 933 HW2 SOL 311 7.570 20.040 18.040 1.00 0.00 +ATOM 934 OW SOL 312 7.140 6.120 18.130 1.00 0.00 +ATOM 935 HW1 SOL 312 6.510 5.540 17.690 1.00 0.00 +ATOM 936 HW2 SOL 312 6.600 6.810 18.510 1.00 0.00 +ATOM 937 OW SOL 313 0.280 2.620 21.530 1.00 0.00 +ATOM 938 HW1 SOL 313 0.080 1.980 22.220 1.00 0.00 +ATOM 939 HW2 SOL 313 1.070 2.280 21.110 1.00 0.00 +ATOM 940 OW SOL 314 1.230 16.150 7.190 1.00 0.00 +ATOM 941 HW1 SOL 314 1.620 15.320 7.450 1.00 0.00 +ATOM 942 HW2 SOL 314 1.850 16.520 6.560 1.00 0.00 +ATOM 943 OW SOL 315 27.070 4.990 2.040 1.00 0.00 +ATOM 944 HW1 SOL 315 27.640 5.550 1.510 1.00 0.00 +ATOM 945 HW2 SOL 315 27.320 5.170 2.950 1.00 0.00 +ATOM 946 OW SOL 316 14.250 18.100 3.820 1.00 0.00 +ATOM 947 HW1 SOL 316 13.380 17.960 4.200 1.00 0.00 +ATOM 948 HW2 SOL 316 14.620 17.220 3.740 1.00 0.00 +ATOM 949 OW SOL 317 26.550 16.610 9.280 1.00 0.00 +ATOM 950 HW1 SOL 317 26.260 15.900 8.710 1.00 0.00 +ATOM 951 HW2 SOL 317 27.170 17.100 8.750 1.00 0.00 +ATOM 952 OW SOL 318 8.110 27.480 21.640 1.00 0.00 +ATOM 953 HW1 SOL 318 7.430 26.870 21.320 1.00 0.00 +ATOM 954 HW2 SOL 318 7.710 27.910 22.390 1.00 0.00 +ATOM 955 OW SOL 319 26.570 13.520 22.130 1.00 0.00 +ATOM 956 HW1 SOL 319 26.970 13.730 22.980 1.00 0.00 +ATOM 957 HW2 SOL 319 25.870 12.900 22.350 1.00 0.00 +ATOM 958 OW SOL 320 3.900 19.510 26.030 1.00 0.00 +ATOM 959 HW1 SOL 320 4.140 19.980 25.230 1.00 0.00 +ATOM 960 HW2 SOL 320 3.620 20.200 26.630 1.00 0.00 +ATOM 961 OW SOL 321 29.040 23.180 3.470 1.00 0.00 +ATOM 962 HW1 SOL 321 29.910 23.330 3.830 1.00 0.00 +ATOM 963 HW2 SOL 321 28.440 23.650 4.050 1.00 0.00 +ATOM 964 OW SOL 322 30.090 8.300 20.420 1.00 0.00 +ATOM 965 HW1 SOL 322 29.580 8.940 20.900 1.00 0.00 +ATOM 966 HW2 SOL 322 30.180 8.680 19.540 1.00 0.00 +ATOM 967 OW SOL 323 24.110 13.950 0.050 1.00 0.00 +ATOM 968 HW1 SOL 323 24.630 13.740 0.830 1.00 0.00 +ATOM 969 HW2 SOL 323 23.410 14.510 0.370 1.00 0.00 +ATOM 970 OW SOL 324 5.420 19.970 0.410 1.00 0.00 +ATOM 971 HW1 SOL 324 4.640 19.700 -0.070 1.00 0.00 +ATOM 972 HW2 SOL 324 5.090 20.250 1.260 1.00 0.00 +ATOM 973 OW SOL 325 -0.210 8.900 8.450 1.00 0.00 +ATOM 974 HW1 SOL 325 0.740 8.990 8.490 1.00 0.00 +ATOM 975 HW2 SOL 325 -0.520 9.740 8.110 1.00 0.00 +ATOM 976 OW SOL 326 24.510 2.190 26.720 1.00 0.00 +ATOM 977 HW1 SOL 326 25.270 2.030 26.170 1.00 0.00 +ATOM 978 HW2 SOL 326 24.780 2.900 27.300 1.00 0.00 +ATOM 979 OW SOL 327 22.220 20.790 23.430 1.00 0.00 +ATOM 980 HW1 SOL 327 22.450 21.710 23.290 1.00 0.00 +ATOM 981 HW2 SOL 327 22.970 20.420 23.870 1.00 0.00 +ATOM 982 OW SOL 328 15.240 26.930 22.400 1.00 0.00 +ATOM 983 HW1 SOL 328 15.180 25.980 22.520 1.00 0.00 +ATOM 984 HW2 SOL 328 15.190 27.290 23.280 1.00 0.00 +ATOM 985 OW SOL 329 8.250 26.740 13.150 1.00 0.00 +ATOM 986 HW1 SOL 329 8.840 26.560 13.880 1.00 0.00 +ATOM 987 HW2 SOL 329 8.230 25.930 12.650 1.00 0.00 +ATOM 988 OW SOL 330 5.660 9.260 12.320 1.00 0.00 +ATOM 989 HW1 SOL 330 5.690 9.230 13.270 1.00 0.00 +ATOM 990 HW2 SOL 330 6.110 10.070 12.090 1.00 0.00 +ATOM 991 OW SOL 331 14.370 8.130 10.350 1.00 0.00 +ATOM 992 HW1 SOL 331 14.860 8.830 10.780 1.00 0.00 +ATOM 993 HW2 SOL 331 13.850 8.580 9.680 1.00 0.00 +ATOM 994 OW SOL 332 21.390 4.010 5.010 1.00 0.00 +ATOM 995 HW1 SOL 332 20.660 4.580 5.210 1.00 0.00 +ATOM 996 HW2 SOL 332 21.820 3.860 5.850 1.00 0.00 +ATOM 997 OW SOL 333 12.020 17.780 20.010 1.00 0.00 +ATOM 998 HW1 SOL 333 12.420 18.170 20.790 1.00 0.00 +ATOM 999 HW2 SOL 333 11.080 17.850 20.170 1.00 0.00 +ATOM 1000 OW SOL 334 21.260 16.410 7.190 1.00 0.00 +ATOM 1001 HW1 SOL 334 20.860 17.260 7.350 1.00 0.00 +ATOM 1002 HW2 SOL 334 21.800 16.250 7.960 1.00 0.00 +ATOM 1003 OW SOL 335 6.350 6.650 3.530 1.00 0.00 +ATOM 1004 HW1 SOL 335 7.000 7.330 3.330 1.00 0.00 +ATOM 1005 HW2 SOL 335 6.310 6.120 2.730 1.00 0.00 +ATOM 1006 OW SOL 336 12.410 11.510 20.770 1.00 0.00 +ATOM 1007 HW1 SOL 336 11.560 11.920 20.600 1.00 0.00 +ATOM 1008 HW2 SOL 336 12.400 11.310 21.700 1.00 0.00 +ATOM 1009 OW SOL 337 8.810 8.210 2.730 1.00 0.00 +ATOM 1010 HW1 SOL 337 8.790 9.160 2.640 1.00 0.00 +ATOM 1011 HW2 SOL 337 8.630 7.890 1.840 1.00 0.00 +ATOM 1012 OW SOL 338 13.040 15.580 6.960 1.00 0.00 +ATOM 1013 HW1 SOL 338 13.850 16.050 7.140 1.00 0.00 +ATOM 1014 HW2 SOL 338 13.320 14.810 6.460 1.00 0.00 +ATOM 1015 OW SOL 339 18.710 27.150 12.220 1.00 0.00 +ATOM 1016 HW1 SOL 339 18.170 27.020 13.000 1.00 0.00 +ATOM 1017 HW2 SOL 339 18.690 26.300 11.770 1.00 0.00 +ATOM 1018 OW SOL 340 18.100 24.550 1.020 1.00 0.00 +ATOM 1019 HW1 SOL 340 17.190 24.380 0.800 1.00 0.00 +ATOM 1020 HW2 SOL 340 18.070 25.260 1.660 1.00 0.00 +ATOM 1021 OW SOL 341 9.060 29.830 13.980 1.00 0.00 +ATOM 1022 HW1 SOL 341 9.050 28.890 14.140 1.00 0.00 +ATOM 1023 HW2 SOL 341 9.230 29.910 13.040 1.00 0.00 +ATOM 1024 OW SOL 342 28.040 20.190 14.840 1.00 0.00 +ATOM 1025 HW1 SOL 342 28.390 19.940 15.700 1.00 0.00 +ATOM 1026 HW2 SOL 342 27.290 19.610 14.720 1.00 0.00 +ATOM 1027 OW SOL 343 21.380 27.030 12.990 1.00 0.00 +ATOM 1028 HW1 SOL 343 21.630 27.910 13.260 1.00 0.00 +ATOM 1029 HW2 SOL 343 20.630 27.150 12.420 1.00 0.00 +ATOM 1030 OW SOL 344 13.470 18.550 1.240 1.00 0.00 +ATOM 1031 HW1 SOL 344 13.760 18.560 2.150 1.00 0.00 +ATOM 1032 HW2 SOL 344 13.610 19.450 0.940 1.00 0.00 +ATOM 1033 OW SOL 345 10.520 2.390 4.990 1.00 0.00 +ATOM 1034 HW1 SOL 345 11.450 2.440 5.220 1.00 0.00 +ATOM 1035 HW2 SOL 345 10.180 3.270 5.180 1.00 0.00 +ATOM 1036 OW SOL 346 19.620 5.150 7.920 1.00 0.00 +ATOM 1037 HW1 SOL 346 19.720 5.950 8.450 1.00 0.00 +ATOM 1038 HW2 SOL 346 19.640 5.460 7.020 1.00 0.00 +ATOM 1039 OW SOL 347 30.230 14.780 9.810 1.00 0.00 +ATOM 1040 HW1 SOL 347 29.650 14.170 9.350 1.00 0.00 +ATOM 1041 HW2 SOL 347 30.310 15.530 9.220 1.00 0.00 +ATOM 1042 OW SOL 348 17.760 25.720 14.900 1.00 0.00 +ATOM 1043 HW1 SOL 348 18.140 24.870 14.670 1.00 0.00 +ATOM 1044 HW2 SOL 348 17.020 25.830 14.300 1.00 0.00 +ATOM 1045 OW SOL 349 12.560 10.110 5.060 1.00 0.00 +ATOM 1046 HW1 SOL 349 11.890 10.790 5.080 1.00 0.00 +ATOM 1047 HW2 SOL 349 12.390 9.630 4.250 1.00 0.00 +ATOM 1048 OW SOL 350 14.140 29.260 8.630 1.00 0.00 +ATOM 1049 HW1 SOL 350 14.320 29.470 7.710 1.00 0.00 +ATOM 1050 HW2 SOL 350 14.700 29.860 9.120 1.00 0.00 +ATOM 1051 OW SOL 351 17.470 28.170 27.310 1.00 0.00 +ATOM 1052 HW1 SOL 351 16.810 28.600 27.840 1.00 0.00 +ATOM 1053 HW2 SOL 351 17.340 27.230 27.470 1.00 0.00 +ATOM 1054 OW SOL 352 12.130 25.100 11.910 1.00 0.00 +ATOM 1055 HW1 SOL 352 12.160 25.920 12.400 1.00 0.00 +ATOM 1056 HW2 SOL 352 12.990 25.050 11.480 1.00 0.00 +ATOM 1057 OW SOL 353 19.230 19.380 4.550 1.00 0.00 +ATOM 1058 HW1 SOL 353 19.350 20.210 4.090 1.00 0.00 +ATOM 1059 HW2 SOL 353 20.070 19.220 4.980 1.00 0.00 +ATOM 1060 OW SOL 354 24.790 6.400 21.250 1.00 0.00 +ATOM 1061 HW1 SOL 354 25.710 6.640 21.130 1.00 0.00 +ATOM 1062 HW2 SOL 354 24.430 7.090 21.810 1.00 0.00 +ATOM 1063 OW SOL 355 1.330 11.710 29.750 1.00 0.00 +ATOM 1064 HW1 SOL 355 1.970 12.240 29.280 1.00 0.00 +ATOM 1065 HW2 SOL 355 0.530 11.770 29.230 1.00 0.00 +ATOM 1066 OW SOL 356 5.150 12.680 6.570 1.00 0.00 +ATOM 1067 HW1 SOL 356 5.840 12.790 7.230 1.00 0.00 +ATOM 1068 HW2 SOL 356 4.800 11.800 6.730 1.00 0.00 +ATOM 1069 OW SOL 357 8.500 25.110 6.730 1.00 0.00 +ATOM 1070 HW1 SOL 357 8.810 24.570 7.460 1.00 0.00 +ATOM 1071 HW2 SOL 357 8.960 25.940 6.830 1.00 0.00 +ATOM 1072 OW SOL 358 5.900 8.460 24.030 1.00 0.00 +ATOM 1073 HW1 SOL 358 6.020 9.280 24.520 1.00 0.00 +ATOM 1074 HW2 SOL 358 6.790 8.170 23.840 1.00 0.00 +ATOM 1075 OW SOL 359 25.980 20.840 27.090 1.00 0.00 +ATOM 1076 HW1 SOL 359 26.540 21.130 27.810 1.00 0.00 +ATOM 1077 HW2 SOL 359 25.680 19.970 27.350 1.00 0.00 +ATOM 1078 OW SOL 360 6.330 28.160 11.820 1.00 0.00 +ATOM 1079 HW1 SOL 360 7.080 27.690 12.180 1.00 0.00 +ATOM 1080 HW2 SOL 360 6.220 27.810 10.940 1.00 0.00 +ATOM 1081 OW SOL 361 14.980 3.000 6.420 1.00 0.00 +ATOM 1082 HW1 SOL 361 14.780 3.550 5.660 1.00 0.00 +ATOM 1083 HW2 SOL 361 15.720 3.430 6.840 1.00 0.00 +ATOM 1084 OW SOL 362 6.260 7.630 10.320 1.00 0.00 +ATOM 1085 HW1 SOL 362 5.970 8.270 10.970 1.00 0.00 +ATOM 1086 HW2 SOL 362 6.870 7.070 10.790 1.00 0.00 +ATOM 1087 OW SOL 363 5.160 1.250 17.010 1.00 0.00 +ATOM 1088 HW1 SOL 363 4.480 1.880 16.770 1.00 0.00 +ATOM 1089 HW2 SOL 363 5.290 0.730 16.210 1.00 0.00 +ATOM 1090 OW SOL 364 10.830 15.930 8.520 1.00 0.00 +ATOM 1091 HW1 SOL 364 11.680 15.700 8.130 1.00 0.00 +ATOM 1092 HW2 SOL 364 10.250 16.050 7.780 1.00 0.00 +ATOM 1093 OW SOL 365 2.120 11.590 2.290 1.00 0.00 +ATOM 1094 HW1 SOL 365 1.860 12.150 1.560 1.00 0.00 +ATOM 1095 HW2 SOL 365 1.670 10.760 2.110 1.00 0.00 +ATOM 1096 OW SOL 366 23.070 1.150 29.690 1.00 0.00 +ATOM 1097 HW1 SOL 366 23.960 1.330 29.390 1.00 0.00 +ATOM 1098 HW2 SOL 366 23.180 0.760 30.560 1.00 0.00 +ATOM 1099 OW SOL 367 10.880 20.730 14.710 1.00 0.00 +ATOM 1100 HW1 SOL 367 11.460 19.980 14.850 1.00 0.00 +ATOM 1101 HW2 SOL 367 10.830 21.160 15.560 1.00 0.00 +ATOM 1102 OW SOL 368 2.190 2.720 15.520 1.00 0.00 +ATOM 1103 HW1 SOL 368 2.800 2.050 15.210 1.00 0.00 +ATOM 1104 HW2 SOL 368 1.480 2.720 14.880 1.00 0.00 +ATOM 1105 OW SOL 369 18.280 21.950 3.700 1.00 0.00 +ATOM 1106 HW1 SOL 369 17.630 22.610 3.460 1.00 0.00 +ATOM 1107 HW2 SOL 369 19.120 22.370 3.520 1.00 0.00 +ATOM 1108 OW SOL 370 20.260 28.630 2.170 1.00 0.00 +ATOM 1109 HW1 SOL 370 19.760 28.760 1.360 1.00 0.00 +ATOM 1110 HW2 SOL 370 20.520 29.520 2.430 1.00 0.00 +ATOM 1111 OW SOL 371 16.600 10.720 4.120 1.00 0.00 +ATOM 1112 HW1 SOL 371 16.110 10.350 3.390 1.00 0.00 +ATOM 1113 HW2 SOL 371 17.130 9.990 4.450 1.00 0.00 +ATOM 1114 OW SOL 372 6.280 23.110 12.580 1.00 0.00 +ATOM 1115 HW1 SOL 372 5.910 22.950 11.720 1.00 0.00 +ATOM 1116 HW2 SOL 372 5.670 23.700 13.010 1.00 0.00 +ATOM 1117 OW SOL 373 22.830 11.210 14.280 1.00 0.00 +ATOM 1118 HW1 SOL 373 22.660 12.000 14.780 1.00 0.00 +ATOM 1119 HW2 SOL 373 23.530 11.450 13.670 1.00 0.00 +ATOM 1120 OW SOL 374 9.240 27.040 15.570 1.00 0.00 +ATOM 1121 HW1 SOL 374 9.740 27.720 16.020 1.00 0.00 +ATOM 1122 HW2 SOL 374 9.610 26.220 15.900 1.00 0.00 +ATOM 1123 OW SOL 375 11.310 17.550 29.700 1.00 0.00 +ATOM 1124 HW1 SOL 375 11.900 17.690 30.450 1.00 0.00 +ATOM 1125 HW2 SOL 375 11.810 17.010 29.090 1.00 0.00 +ATOM 1126 OW SOL 376 18.350 24.590 11.200 1.00 0.00 +ATOM 1127 HW1 SOL 376 17.640 24.790 10.600 1.00 0.00 +ATOM 1128 HW2 SOL 376 18.130 23.740 11.570 1.00 0.00 +ATOM 1129 OW SOL 377 26.940 2.330 14.060 1.00 0.00 +ATOM 1130 HW1 SOL 377 27.210 1.790 13.330 1.00 0.00 +ATOM 1131 HW2 SOL 377 27.490 2.040 14.790 1.00 0.00 +ATOM 1132 OW SOL 378 16.360 17.730 10.090 1.00 0.00 +ATOM 1133 HW1 SOL 378 16.100 17.290 9.280 1.00 0.00 +ATOM 1134 HW2 SOL 378 16.590 18.620 9.820 1.00 0.00 +ATOM 1135 OW SOL 379 3.090 21.490 9.810 1.00 0.00 +ATOM 1136 HW1 SOL 379 3.350 22.240 10.350 1.00 0.00 +ATOM 1137 HW2 SOL 379 2.360 21.100 10.290 1.00 0.00 +ATOM 1138 OW SOL 380 21.870 16.130 13.570 1.00 0.00 +ATOM 1139 HW1 SOL 380 22.720 15.700 13.490 1.00 0.00 +ATOM 1140 HW2 SOL 380 21.890 16.830 12.910 1.00 0.00 +ATOM 1141 OW SOL 381 11.990 21.340 2.860 1.00 0.00 +ATOM 1142 HW1 SOL 381 12.120 21.990 2.170 1.00 0.00 +ATOM 1143 HW2 SOL 381 12.040 20.500 2.400 1.00 0.00 +ATOM 1144 OW SOL 382 21.870 28.980 7.350 1.00 0.00 +ATOM 1145 HW1 SOL 382 22.030 28.850 8.290 1.00 0.00 +ATOM 1146 HW2 SOL 382 21.230 28.310 7.120 1.00 0.00 +ATOM 1147 OW SOL 383 20.280 19.210 21.570 1.00 0.00 +ATOM 1148 HW1 SOL 383 20.340 18.360 21.130 1.00 0.00 +ATOM 1149 HW2 SOL 383 21.190 19.500 21.640 1.00 0.00 +ATOM 1150 OW SOL 384 22.230 23.370 8.250 1.00 0.00 +ATOM 1151 HW1 SOL 384 22.110 24.120 7.670 1.00 0.00 +ATOM 1152 HW2 SOL 384 22.180 23.730 9.130 1.00 0.00 +ATOM 1153 OW SOL 385 24.610 17.900 20.120 1.00 0.00 +ATOM 1154 HW1 SOL 385 23.740 18.250 19.910 1.00 0.00 +ATOM 1155 HW2 SOL 385 24.450 17.010 20.410 1.00 0.00 +ATOM 1156 OW SOL 386 22.320 17.610 24.380 1.00 0.00 +ATOM 1157 HW1 SOL 386 22.720 17.530 25.240 1.00 0.00 +ATOM 1158 HW2 SOL 386 22.860 18.260 23.930 1.00 0.00 +ATOM 1159 OW SOL 387 7.770 16.430 22.240 1.00 0.00 +ATOM 1160 HW1 SOL 387 7.320 17.000 22.860 1.00 0.00 +ATOM 1161 HW2 SOL 387 7.430 16.690 21.380 1.00 0.00 +ATOM 1162 OW SOL 388 18.780 1.730 26.830 1.00 0.00 +ATOM 1163 HW1 SOL 388 19.150 1.290 27.590 1.00 0.00 +ATOM 1164 HW2 SOL 388 17.840 1.740 26.990 1.00 0.00 +ATOM 1165 OW SOL 389 4.550 8.860 21.490 1.00 0.00 +ATOM 1166 HW1 SOL 389 3.620 8.690 21.630 1.00 0.00 +ATOM 1167 HW2 SOL 389 5.000 8.320 22.150 1.00 0.00 +ATOM 1168 OW SOL 390 27.390 22.110 28.990 1.00 0.00 +ATOM 1169 HW1 SOL 390 27.800 21.870 29.820 1.00 0.00 +ATOM 1170 HW2 SOL 390 27.520 23.060 28.930 1.00 0.00 +ATOM 1171 OW SOL 391 20.410 12.130 26.900 1.00 0.00 +ATOM 1172 HW1 SOL 391 20.690 13.030 26.700 1.00 0.00 +ATOM 1173 HW2 SOL 391 20.320 12.120 27.860 1.00 0.00 +ATOM 1174 OW SOL 392 9.550 13.930 29.550 1.00 0.00 +ATOM 1175 HW1 SOL 392 9.240 14.620 30.140 1.00 0.00 +ATOM 1176 HW2 SOL 392 9.910 14.400 28.810 1.00 0.00 +ATOM 1177 OW SOL 393 21.820 2.040 10.460 1.00 0.00 +ATOM 1178 HW1 SOL 393 20.880 2.200 10.410 1.00 0.00 +ATOM 1179 HW2 SOL 393 22.090 2.470 11.270 1.00 0.00 +ATOM 1180 OW SOL 394 5.930 12.180 24.160 1.00 0.00 +ATOM 1181 HW1 SOL 394 6.140 11.420 24.700 1.00 0.00 +ATOM 1182 HW2 SOL 394 5.310 12.680 24.700 1.00 0.00 +ATOM 1183 OW SOL 395 14.660 12.600 24.080 1.00 0.00 +ATOM 1184 HW1 SOL 395 15.530 12.410 23.740 1.00 0.00 +ATOM 1185 HW2 SOL 395 14.310 13.270 23.500 1.00 0.00 +ATOM 1186 OW SOL 396 23.360 9.250 10.030 1.00 0.00 +ATOM 1187 HW1 SOL 396 22.910 9.590 10.810 1.00 0.00 +ATOM 1188 HW2 SOL 396 24.240 9.040 10.330 1.00 0.00 +ATOM 1189 OW SOL 397 16.790 13.100 11.450 1.00 0.00 +ATOM 1190 HW1 SOL 397 16.750 14.050 11.330 1.00 0.00 +ATOM 1191 HW2 SOL 397 16.730 12.970 12.400 1.00 0.00 +ATOM 1192 OW SOL 398 23.120 7.160 7.740 1.00 0.00 +ATOM 1193 HW1 SOL 398 23.170 6.780 8.610 1.00 0.00 +ATOM 1194 HW2 SOL 398 22.620 7.970 7.860 1.00 0.00 +ATOM 1195 OW SOL 399 23.680 26.730 11.190 1.00 0.00 +ATOM 1196 HW1 SOL 399 22.900 27.060 11.620 1.00 0.00 +ATOM 1197 HW2 SOL 399 24.110 26.190 11.850 1.00 0.00 +ATOM 1198 OW SOL 400 27.170 10.150 22.880 1.00 0.00 +ATOM 1199 HW1 SOL 400 26.760 9.330 22.580 1.00 0.00 +ATOM 1200 HW2 SOL 400 26.450 10.780 22.900 1.00 0.00 +ATOM 1201 OW SOL 401 28.330 4.020 27.930 1.00 0.00 +ATOM 1202 HW1 SOL 401 29.020 3.550 28.400 1.00 0.00 +ATOM 1203 HW2 SOL 401 27.530 3.540 28.150 1.00 0.00 +ATOM 1204 OW SOL 402 30.020 14.800 23.600 1.00 0.00 +ATOM 1205 HW1 SOL 402 29.530 13.990 23.460 1.00 0.00 +ATOM 1206 HW2 SOL 402 29.350 15.480 23.690 1.00 0.00 +ATOM 1207 OW SOL 403 9.350 16.810 18.010 1.00 0.00 +ATOM 1208 HW1 SOL 403 9.400 15.870 17.880 1.00 0.00 +ATOM 1209 HW2 SOL 403 9.490 17.180 17.130 1.00 0.00 +ATOM 1210 OW SOL 404 11.330 11.710 16.670 1.00 0.00 +ATOM 1211 HW1 SOL 404 11.810 11.160 17.300 1.00 0.00 +ATOM 1212 HW2 SOL 404 10.760 11.100 16.200 1.00 0.00 +ATOM 1213 OW SOL 405 16.790 23.120 17.030 1.00 0.00 +ATOM 1214 HW1 SOL 405 16.950 22.270 17.440 1.00 0.00 +ATOM 1215 HW2 SOL 405 16.010 22.980 16.490 1.00 0.00 +ATOM 1216 OW SOL 406 13.010 22.040 27.180 1.00 0.00 +ATOM 1217 HW1 SOL 406 12.310 22.240 27.800 1.00 0.00 +ATOM 1218 HW2 SOL 406 13.030 21.080 27.140 1.00 0.00 +ATOM 1219 OW SOL 407 -0.050 18.790 16.300 1.00 0.00 +ATOM 1220 HW1 SOL 407 0.480 19.380 15.760 1.00 0.00 +ATOM 1221 HW2 SOL 407 0.000 19.150 17.190 1.00 0.00 +ATOM 1222 OW SOL 408 3.320 22.660 30.390 1.00 0.00 +ATOM 1223 HW1 SOL 408 2.680 23.310 30.070 1.00 0.00 +ATOM 1224 HW2 SOL 408 3.850 22.450 29.630 1.00 0.00 +ATOM 1225 OW SOL 409 21.460 3.090 7.830 1.00 0.00 +ATOM 1226 HW1 SOL 409 21.570 2.860 8.750 1.00 0.00 +ATOM 1227 HW2 SOL 409 20.860 3.830 7.830 1.00 0.00 +ATOM 1228 OW SOL 410 24.590 19.410 16.420 1.00 0.00 +ATOM 1229 HW1 SOL 410 24.480 20.000 17.170 1.00 0.00 +ATOM 1230 HW2 SOL 410 25.250 18.770 16.710 1.00 0.00 +ATOM 1231 OW SOL 411 1.270 2.220 10.840 1.00 0.00 +ATOM 1232 HW1 SOL 411 1.510 1.370 10.470 1.00 0.00 +ATOM 1233 HW2 SOL 411 1.050 2.040 11.750 1.00 0.00 +ATOM 1234 OW SOL 412 14.660 22.490 15.660 1.00 0.00 +ATOM 1235 HW1 SOL 412 14.110 23.240 15.430 1.00 0.00 +ATOM 1236 HW2 SOL 412 14.860 22.070 14.830 1.00 0.00 +ATOM 1237 OW SOL 413 23.580 21.530 26.420 1.00 0.00 +ATOM 1238 HW1 SOL 413 24.510 21.390 26.580 1.00 0.00 +ATOM 1239 HW2 SOL 413 23.550 22.300 25.840 1.00 0.00 +ATOM 1240 OW SOL 414 17.630 21.710 11.300 1.00 0.00 +ATOM 1241 HW1 SOL 414 18.490 21.310 11.210 1.00 0.00 +ATOM 1242 HW2 SOL 414 17.070 21.200 10.720 1.00 0.00 +ATOM 1243 OW SOL 415 28.000 29.930 17.560 1.00 0.00 +ATOM 1244 HW1 SOL 415 28.160 28.990 17.620 1.00 0.00 +ATOM 1245 HW2 SOL 415 27.810 30.200 18.450 1.00 0.00 +ATOM 1246 OW SOL 416 15.260 15.590 4.180 1.00 0.00 +ATOM 1247 HW1 SOL 416 14.560 15.050 4.550 1.00 0.00 +ATOM 1248 HW2 SOL 416 15.900 14.970 3.850 1.00 0.00 +ATOM 1249 OW SOL 417 17.580 25.590 28.020 1.00 0.00 +ATOM 1250 HW1 SOL 417 17.010 24.940 27.620 1.00 0.00 +ATOM 1251 HW2 SOL 417 18.390 25.110 28.220 1.00 0.00 +ATOM 1252 OW SOL 418 6.030 26.090 20.680 1.00 0.00 +ATOM 1253 HW1 SOL 418 5.450 26.310 19.950 1.00 0.00 +ATOM 1254 HW2 SOL 418 6.120 25.130 20.640 1.00 0.00 +ATOM 1255 OW SOL 419 6.690 1.810 25.060 1.00 0.00 +ATOM 1256 HW1 SOL 419 7.610 1.840 25.330 1.00 0.00 +ATOM 1257 HW2 SOL 419 6.690 2.160 24.170 1.00 0.00 +ATOM 1258 OW SOL 420 21.100 20.110 0.940 1.00 0.00 +ATOM 1259 HW1 SOL 420 21.680 19.540 1.440 1.00 0.00 +ATOM 1260 HW2 SOL 420 20.230 19.730 1.040 1.00 0.00 +ATOM 1261 OW SOL 421 3.240 22.130 16.280 1.00 0.00 +ATOM 1262 HW1 SOL 421 2.770 22.910 16.000 1.00 0.00 +ATOM 1263 HW2 SOL 421 4.160 22.390 16.280 1.00 0.00 +ATOM 1264 OW SOL 422 5.350 15.380 19.300 1.00 0.00 +ATOM 1265 HW1 SOL 422 5.300 15.020 20.190 1.00 0.00 +ATOM 1266 HW2 SOL 422 5.920 16.150 19.390 1.00 0.00 +ATOM 1267 OW SOL 423 29.640 28.590 12.870 1.00 0.00 +ATOM 1268 HW1 SOL 423 29.030 28.390 13.580 1.00 0.00 +ATOM 1269 HW2 SOL 423 29.090 28.620 12.090 1.00 0.00 +ATOM 1270 OW SOL 424 11.800 1.690 7.740 1.00 0.00 +ATOM 1271 HW1 SOL 424 11.390 2.550 7.880 1.00 0.00 +ATOM 1272 HW2 SOL 424 11.220 1.070 8.190 1.00 0.00 +ATOM 1273 OW SOL 425 13.930 0.590 5.960 1.00 0.00 +ATOM 1274 HW1 SOL 425 14.420 1.410 5.990 1.00 0.00 +ATOM 1275 HW2 SOL 425 13.320 0.650 6.700 1.00 0.00 +ATOM 1276 OW SOL 426 13.160 14.910 13.230 1.00 0.00 +ATOM 1277 HW1 SOL 426 12.210 14.970 13.240 1.00 0.00 +ATOM 1278 HW2 SOL 426 13.460 15.810 13.110 1.00 0.00 +ATOM 1279 OW SOL 427 25.150 20.440 18.920 1.00 0.00 +ATOM 1280 HW1 SOL 427 24.570 20.990 19.460 1.00 0.00 +ATOM 1281 HW2 SOL 427 25.030 19.560 19.270 1.00 0.00 +ATOM 1282 OW SOL 428 16.680 2.460 13.940 1.00 0.00 +ATOM 1283 HW1 SOL 428 16.860 3.270 14.410 1.00 0.00 +ATOM 1284 HW2 SOL 428 16.050 2.720 13.260 1.00 0.00 +ATOM 1285 OW SOL 429 12.480 11.950 13.580 1.00 0.00 +ATOM 1286 HW1 SOL 429 13.160 11.680 14.210 1.00 0.00 +ATOM 1287 HW2 SOL 429 12.840 12.730 13.160 1.00 0.00 +ATOM 1288 OW SOL 430 26.060 12.510 17.930 1.00 0.00 +ATOM 1289 HW1 SOL 430 25.590 11.960 17.290 1.00 0.00 +ATOM 1290 HW2 SOL 430 25.370 13.060 18.310 1.00 0.00 +ATOM 1291 OW SOL 431 -0.060 13.830 27.410 1.00 0.00 +ATOM 1292 HW1 SOL 431 0.250 14.740 27.360 1.00 0.00 +ATOM 1293 HW2 SOL 431 0.160 13.460 26.560 1.00 0.00 +ATOM 1294 OW SOL 432 13.120 8.800 22.000 1.00 0.00 +ATOM 1295 HW1 SOL 432 12.720 9.570 22.390 1.00 0.00 +ATOM 1296 HW2 SOL 432 12.480 8.480 21.360 1.00 0.00 +ATOM 1297 OW SOL 433 15.600 17.940 25.540 1.00 0.00 +ATOM 1298 HW1 SOL 433 16.120 18.730 25.420 1.00 0.00 +ATOM 1299 HW2 SOL 433 15.730 17.440 24.730 1.00 0.00 +ATOM 1300 OW SOL 434 19.990 4.170 27.000 1.00 0.00 +ATOM 1301 HW1 SOL 434 20.200 4.450 26.100 1.00 0.00 +ATOM 1302 HW2 SOL 434 19.450 3.390 26.880 1.00 0.00 +ATOM 1303 OW SOL 435 18.400 14.310 28.200 1.00 0.00 +ATOM 1304 HW1 SOL 435 18.360 15.250 28.340 1.00 0.00 +ATOM 1305 HW2 SOL 435 18.100 13.930 29.030 1.00 0.00 +ATOM 1306 OW SOL 436 0.080 1.120 23.890 1.00 0.00 +ATOM 1307 HW1 SOL 436 0.110 0.470 24.580 1.00 0.00 +ATOM 1308 HW2 SOL 436 -0.100 1.950 24.340 1.00 0.00 +ATOM 1309 OW SOL 437 17.040 19.220 22.760 1.00 0.00 +ATOM 1310 HW1 SOL 437 17.720 18.730 23.220 1.00 0.00 +ATOM 1311 HW2 SOL 437 17.350 19.260 21.850 1.00 0.00 +ATOM 1312 OW SOL 438 8.330 22.930 27.170 1.00 0.00 +ATOM 1313 HW1 SOL 438 8.550 22.400 26.400 1.00 0.00 +ATOM 1314 HW2 SOL 438 8.360 23.840 26.850 1.00 0.00 +ATOM 1315 OW SOL 439 24.750 1.310 11.570 1.00 0.00 +ATOM 1316 HW1 SOL 439 24.910 2.260 11.540 1.00 0.00 +ATOM 1317 HW2 SOL 439 24.420 1.160 12.460 1.00 0.00 +ATOM 1318 OW SOL 440 23.170 4.370 2.900 1.00 0.00 +ATOM 1319 HW1 SOL 440 23.760 5.060 3.230 1.00 0.00 +ATOM 1320 HW2 SOL 440 22.500 4.300 3.580 1.00 0.00 +ATOM 1321 OW SOL 441 21.460 13.180 3.500 1.00 0.00 +ATOM 1322 HW1 SOL 441 20.770 13.780 3.780 1.00 0.00 +ATOM 1323 HW2 SOL 441 21.970 13.020 4.290 1.00 0.00 +ATOM 1324 OW SOL 442 9.360 21.490 24.830 1.00 0.00 +ATOM 1325 HW1 SOL 442 9.220 20.550 24.720 1.00 0.00 +ATOM 1326 HW2 SOL 442 8.590 21.900 24.440 1.00 0.00 +ATOM 1327 OW SOL 443 25.980 9.380 10.690 1.00 0.00 +ATOM 1328 HW1 SOL 443 26.340 9.990 10.040 1.00 0.00 +ATOM 1329 HW2 SOL 443 26.640 8.680 10.750 1.00 0.00 +ATOM 1330 OW SOL 444 20.000 17.220 9.980 1.00 0.00 +ATOM 1331 HW1 SOL 444 20.880 17.390 10.320 1.00 0.00 +ATOM 1332 HW2 SOL 444 19.610 18.090 9.890 1.00 0.00 +ATOM 1333 OW SOL 445 17.340 3.680 4.090 1.00 0.00 +ATOM 1334 HW1 SOL 445 17.480 3.400 4.990 1.00 0.00 +ATOM 1335 HW2 SOL 445 16.760 3.010 3.720 1.00 0.00 +ATOM 1336 OW SOL 446 3.160 28.860 27.140 1.00 0.00 +ATOM 1337 HW1 SOL 446 3.970 29.230 26.800 1.00 0.00 +ATOM 1338 HW2 SOL 446 2.880 29.480 27.820 1.00 0.00 +ATOM 1339 OW SOL 447 12.150 8.010 26.460 1.00 0.00 +ATOM 1340 HW1 SOL 447 11.450 7.840 25.840 1.00 0.00 +ATOM 1341 HW2 SOL 447 12.620 8.760 26.090 1.00 0.00 +ATOM 1342 OW SOL 448 24.430 25.470 0.430 1.00 0.00 +ATOM 1343 HW1 SOL 448 24.960 25.470 1.220 1.00 0.00 +ATOM 1344 HW2 SOL 448 23.680 24.900 0.640 1.00 0.00 +ATOM 1345 OW SOL 449 5.130 24.100 25.290 1.00 0.00 +ATOM 1346 HW1 SOL 449 4.420 23.620 25.710 1.00 0.00 +ATOM 1347 HW2 SOL 449 5.340 24.810 25.900 1.00 0.00 +ATOM 1348 OW SOL 450 13.300 0.930 11.750 1.00 0.00 +ATOM 1349 HW1 SOL 450 13.470 -0.010 11.840 1.00 0.00 +ATOM 1350 HW2 SOL 450 13.700 1.170 10.910 1.00 0.00 +ATOM 1351 OW SOL 451 14.070 10.010 28.600 1.00 0.00 +ATOM 1352 HW1 SOL 451 14.200 9.120 28.270 1.00 0.00 +ATOM 1353 HW2 SOL 451 14.360 10.580 27.890 1.00 0.00 +ATOM 1354 OW SOL 452 22.230 19.110 27.240 1.00 0.00 +ATOM 1355 HW1 SOL 452 22.470 19.860 26.700 1.00 0.00 +ATOM 1356 HW2 SOL 452 23.060 18.730 27.520 1.00 0.00 +ATOM 1357 OW SOL 453 5.730 18.060 13.930 1.00 0.00 +ATOM 1358 HW1 SOL 453 5.840 17.130 14.100 1.00 0.00 +ATOM 1359 HW2 SOL 453 5.980 18.180 13.020 1.00 0.00 +ATOM 1360 OW SOL 454 18.840 23.020 26.110 1.00 0.00 +ATOM 1361 HW1 SOL 454 18.960 22.350 25.440 1.00 0.00 +ATOM 1362 HW2 SOL 454 18.010 23.450 25.880 1.00 0.00 +ATOM 1363 OW SOL 455 13.130 22.700 21.960 1.00 0.00 +ATOM 1364 HW1 SOL 455 13.580 21.910 21.670 1.00 0.00 +ATOM 1365 HW2 SOL 455 12.490 22.390 22.600 1.00 0.00 +ATOM 1366 OW SOL 456 10.900 13.500 24.040 1.00 0.00 +ATOM 1367 HW1 SOL 456 11.300 14.360 24.160 1.00 0.00 +ATOM 1368 HW2 SOL 456 9.980 13.680 23.840 1.00 0.00 +ATOM 1369 OW SOL 457 8.560 16.720 0.130 1.00 0.00 +ATOM 1370 HW1 SOL 457 9.460 17.020 0.040 1.00 0.00 +ATOM 1371 HW2 SOL 457 8.350 16.830 1.050 1.00 0.00 +ATOM 1372 OW SOL 458 28.490 19.080 10.120 1.00 0.00 +ATOM 1373 HW1 SOL 458 28.470 19.870 10.660 1.00 0.00 +ATOM 1374 HW2 SOL 458 27.620 18.690 10.230 1.00 0.00 +ATOM 1375 OW SOL 459 8.460 23.220 8.760 1.00 0.00 +ATOM 1376 HW1 SOL 459 7.560 23.130 9.080 1.00 0.00 +ATOM 1377 HW2 SOL 459 8.990 23.240 9.550 1.00 0.00 +ATOM 1378 OW SOL 460 0.600 0.760 6.560 1.00 0.00 +ATOM 1379 HW1 SOL 460 1.010 1.560 6.880 1.00 0.00 +ATOM 1380 HW2 SOL 460 -0.030 1.060 5.910 1.00 0.00 +ATOM 1381 OW SOL 461 4.550 7.300 7.690 1.00 0.00 +ATOM 1382 HW1 SOL 461 5.170 7.490 8.390 1.00 0.00 +ATOM 1383 HW2 SOL 461 4.890 6.510 7.280 1.00 0.00 +ATOM 1384 OW SOL 462 3.830 5.120 4.650 1.00 0.00 +ATOM 1385 HW1 SOL 462 3.820 5.010 3.700 1.00 0.00 +ATOM 1386 HW2 SOL 462 4.220 4.300 4.970 1.00 0.00 +ATOM 1387 OW SOL 463 28.960 1.530 4.680 1.00 0.00 +ATOM 1388 HW1 SOL 463 28.400 1.960 5.320 1.00 0.00 +ATOM 1389 HW2 SOL 463 29.510 2.230 4.320 1.00 0.00 +ATOM 1390 OW SOL 464 29.430 12.180 22.470 1.00 0.00 +ATOM 1391 HW1 SOL 464 28.740 11.530 22.600 1.00 0.00 +ATOM 1392 HW2 SOL 464 29.450 12.310 21.520 1.00 0.00 +ATOM 1393 OW SOL 465 12.910 19.490 26.700 1.00 0.00 +ATOM 1394 HW1 SOL 465 13.520 19.330 25.990 1.00 0.00 +ATOM 1395 HW2 SOL 465 12.700 18.620 27.040 1.00 0.00 +ATOM 1396 OW SOL 466 8.820 29.850 23.840 1.00 0.00 +ATOM 1397 HW1 SOL 466 7.950 29.530 24.100 1.00 0.00 +ATOM 1398 HW2 SOL 466 8.640 30.570 23.230 1.00 0.00 +ATOM 1399 OW SOL 467 17.700 0.010 29.850 1.00 0.00 +ATOM 1400 HW1 SOL 467 17.280 0.660 30.410 1.00 0.00 +ATOM 1401 HW2 SOL 467 18.590 0.350 29.720 1.00 0.00 +ATOM 1402 OW SOL 468 10.330 13.220 20.840 1.00 0.00 +ATOM 1403 HW1 SOL 468 9.560 12.990 20.320 1.00 0.00 +ATOM 1404 HW2 SOL 468 9.970 13.520 21.680 1.00 0.00 +ATOM 1405 OW SOL 469 28.870 1.500 19.620 1.00 0.00 +ATOM 1406 HW1 SOL 469 29.650 1.080 19.250 1.00 0.00 +ATOM 1407 HW2 SOL 469 29.200 2.050 20.320 1.00 0.00 +ATOM 1408 OW SOL 470 22.320 17.890 11.490 1.00 0.00 +ATOM 1409 HW1 SOL 470 22.990 18.070 10.830 1.00 0.00 +ATOM 1410 HW2 SOL 470 21.960 18.750 11.710 1.00 0.00 +ATOM 1411 OW SOL 471 9.090 9.520 20.090 1.00 0.00 +ATOM 1412 HW1 SOL 471 9.120 10.360 19.630 1.00 0.00 +ATOM 1413 HW2 SOL 471 8.450 9.010 19.600 1.00 0.00 +ATOM 1414 OW SOL 472 6.420 11.420 1.130 1.00 0.00 +ATOM 1415 HW1 SOL 472 7.320 11.140 1.310 1.00 0.00 +ATOM 1416 HW2 SOL 472 5.890 10.930 1.760 1.00 0.00 +ATOM 1417 OW SOL 473 21.220 -0.010 19.480 1.00 0.00 +ATOM 1418 HW1 SOL 473 21.860 0.680 19.330 1.00 0.00 +ATOM 1419 HW2 SOL 473 21.350 -0.270 20.390 1.00 0.00 +ATOM 1420 OW SOL 474 6.280 15.890 5.280 1.00 0.00 +ATOM 1421 HW1 SOL 474 5.730 16.490 5.790 1.00 0.00 +ATOM 1422 HW2 SOL 474 5.820 15.060 5.310 1.00 0.00 +ATOM 1423 OW SOL 475 16.820 4.700 29.090 1.00 0.00 +ATOM 1424 HW1 SOL 475 16.230 4.080 28.650 1.00 0.00 +ATOM 1425 HW2 SOL 475 17.530 4.840 28.460 1.00 0.00 +ATOM 1426 OW SOL 476 4.920 19.270 10.020 1.00 0.00 +ATOM 1427 HW1 SOL 476 5.070 19.370 9.080 1.00 0.00 +ATOM 1428 HW2 SOL 476 4.460 20.070 10.270 1.00 0.00 +ATOM 1429 OW SOL 477 7.850 10.440 16.280 1.00 0.00 +ATOM 1430 HW1 SOL 477 8.100 9.730 16.870 1.00 0.00 +ATOM 1431 HW2 SOL 477 8.610 10.550 15.700 1.00 0.00 +ATOM 1432 OW SOL 478 15.930 21.800 26.650 1.00 0.00 +ATOM 1433 HW1 SOL 478 14.980 21.840 26.710 1.00 0.00 +ATOM 1434 HW2 SOL 478 16.150 22.490 26.030 1.00 0.00 +ATOM 1435 OW SOL 479 16.470 8.710 24.620 1.00 0.00 +ATOM 1436 HW1 SOL 479 16.150 8.310 23.810 1.00 0.00 +ATOM 1437 HW2 SOL 479 17.150 9.310 24.340 1.00 0.00 +ATOM 1438 OW SOL 480 4.430 4.930 23.810 1.00 0.00 +ATOM 1439 HW1 SOL 480 5.050 5.170 23.110 1.00 0.00 +ATOM 1440 HW2 SOL 480 3.570 5.050 23.410 1.00 0.00 +ATOM 1441 OW SOL 481 17.450 2.520 0.540 1.00 0.00 +ATOM 1442 HW1 SOL 481 18.400 2.490 0.530 1.00 0.00 +ATOM 1443 HW2 SOL 481 17.210 3.190 -0.100 1.00 0.00 +ATOM 1444 OW SOL 482 9.660 17.630 15.570 1.00 0.00 +ATOM 1445 HW1 SOL 482 9.080 17.430 14.840 1.00 0.00 +ATOM 1446 HW2 SOL 482 10.390 18.110 15.180 1.00 0.00 +ATOM 1447 OW SOL 483 27.020 14.500 14.090 1.00 0.00 +ATOM 1448 HW1 SOL 483 27.210 14.600 13.160 1.00 0.00 +ATOM 1449 HW2 SOL 483 27.640 15.080 14.530 1.00 0.00 +ATOM 1450 OW SOL 484 4.510 27.280 13.710 1.00 0.00 +ATOM 1451 HW1 SOL 484 3.650 27.560 13.400 1.00 0.00 +ATOM 1452 HW2 SOL 484 5.070 27.310 12.930 1.00 0.00 +ATOM 1453 OW SOL 485 21.610 16.820 21.100 1.00 0.00 +ATOM 1454 HW1 SOL 485 21.830 16.680 22.020 1.00 0.00 +ATOM 1455 HW2 SOL 485 21.160 16.020 20.830 1.00 0.00 +ATOM 1456 OW SOL 486 1.360 23.880 11.070 1.00 0.00 +ATOM 1457 HW1 SOL 486 1.020 23.930 11.960 1.00 0.00 +ATOM 1458 HW2 SOL 486 0.680 24.280 10.530 1.00 0.00 +ATOM 1459 OW SOL 487 25.300 1.500 16.880 1.00 0.00 +ATOM 1460 HW1 SOL 487 26.070 1.920 16.500 1.00 0.00 +ATOM 1461 HW2 SOL 487 25.540 1.340 17.800 1.00 0.00 +ATOM 1462 OW SOL 488 8.620 12.250 8.230 1.00 0.00 +ATOM 1463 HW1 SOL 488 9.260 12.750 8.730 1.00 0.00 +ATOM 1464 HW2 SOL 488 7.780 12.650 8.460 1.00 0.00 +ATOM 1465 OW SOL 489 11.400 7.890 19.920 1.00 0.00 +ATOM 1466 HW1 SOL 489 10.520 8.140 19.660 1.00 0.00 +ATOM 1467 HW2 SOL 489 11.810 7.580 19.110 1.00 0.00 +ATOM 1468 OW SOL 490 15.880 16.870 15.420 1.00 0.00 +ATOM 1469 HW1 SOL 490 16.450 16.290 14.930 1.00 0.00 +ATOM 1470 HW2 SOL 490 15.560 16.340 16.150 1.00 0.00 +ATOM 1471 OW SOL 491 12.290 9.210 2.400 1.00 0.00 +ATOM 1472 HW1 SOL 491 12.040 8.550 1.750 1.00 0.00 +ATOM 1473 HW2 SOL 491 12.280 10.040 1.930 1.00 0.00 +ATOM 1474 OW SOL 492 7.250 0.860 18.690 1.00 0.00 +ATOM 1475 HW1 SOL 492 7.460 -0.060 18.550 1.00 0.00 +ATOM 1476 HW2 SOL 492 6.560 1.060 18.050 1.00 0.00 +ATOM 1477 OW SOL 493 0.280 6.580 9.710 1.00 0.00 +ATOM 1478 HW1 SOL 493 -0.250 6.850 10.450 1.00 0.00 +ATOM 1479 HW2 SOL 493 0.130 7.260 9.050 1.00 0.00 +ATOM 1480 OW SOL 494 1.720 19.010 8.300 1.00 0.00 +ATOM 1481 HW1 SOL 494 1.630 18.160 7.860 1.00 0.00 +ATOM 1482 HW2 SOL 494 1.910 18.790 9.210 1.00 0.00 +ATOM 1483 OW SOL 495 5.960 11.550 21.450 1.00 0.00 +ATOM 1484 HW1 SOL 495 5.600 10.680 21.590 1.00 0.00 +ATOM 1485 HW2 SOL 495 5.920 11.970 22.310 1.00 0.00 +ATOM 1486 OW SOL 496 0.420 6.180 4.230 1.00 0.00 +ATOM 1487 HW1 SOL 496 0.800 6.510 5.040 1.00 0.00 +ATOM 1488 HW2 SOL 496 -0.520 6.350 4.320 1.00 0.00 +ATOM 1489 OW SOL 497 1.500 29.150 8.370 1.00 0.00 +ATOM 1490 HW1 SOL 497 2.420 29.130 8.620 1.00 0.00 +ATOM 1491 HW2 SOL 497 1.470 29.700 7.590 1.00 0.00 +ATOM 1492 OW SOL 498 15.420 25.630 13.450 1.00 0.00 +ATOM 1493 HW1 SOL 498 15.230 25.210 12.610 1.00 0.00 +ATOM 1494 HW2 SOL 498 14.670 25.420 14.000 1.00 0.00 +ATOM 1495 OW SOL 499 21.210 21.520 18.000 1.00 0.00 +ATOM 1496 HW1 SOL 499 21.770 21.500 17.220 1.00 0.00 +ATOM 1497 HW2 SOL 499 20.550 22.180 17.810 1.00 0.00 +ATOM 1498 OW SOL 500 22.090 7.600 18.570 1.00 0.00 +ATOM 1499 HW1 SOL 500 22.370 6.680 18.590 1.00 0.00 +ATOM 1500 HW2 SOL 500 22.880 8.070 18.310 1.00 0.00 +ATOM 1501 OW SOL 501 8.290 3.050 8.770 1.00 0.00 +ATOM 1502 HW1 SOL 501 9.120 3.110 9.240 1.00 0.00 +ATOM 1503 HW2 SOL 501 7.620 3.250 9.420 1.00 0.00 +ATOM 1504 OW SOL 502 2.870 13.210 14.120 1.00 0.00 +ATOM 1505 HW1 SOL 502 2.520 13.550 13.300 1.00 0.00 +ATOM 1506 HW2 SOL 502 3.500 13.870 14.410 1.00 0.00 +ATOM 1507 OW SOL 503 6.750 2.750 3.530 1.00 0.00 +ATOM 1508 HW1 SOL 503 5.800 2.810 3.630 1.00 0.00 +ATOM 1509 HW2 SOL 503 7.090 2.790 4.430 1.00 0.00 +ATOM 1510 OW SOL 504 22.720 23.410 11.420 1.00 0.00 +ATOM 1511 HW1 SOL 504 21.930 23.780 11.810 1.00 0.00 +ATOM 1512 HW2 SOL 504 23.440 23.840 11.880 1.00 0.00 +ATOM 1513 OW SOL 505 11.930 17.290 4.740 1.00 0.00 +ATOM 1514 HW1 SOL 505 11.660 17.790 5.510 1.00 0.00 +ATOM 1515 HW2 SOL 505 12.450 16.570 5.090 1.00 0.00 +ATOM 1516 OW SOL 506 16.740 12.760 17.640 1.00 0.00 +ATOM 1517 HW1 SOL 506 16.070 12.890 18.310 1.00 0.00 +ATOM 1518 HW2 SOL 506 17.250 12.010 17.960 1.00 0.00 +ATOM 1519 OW SOL 507 28.060 29.200 3.860 1.00 0.00 +ATOM 1520 HW1 SOL 507 27.350 29.800 3.650 1.00 0.00 +ATOM 1521 HW2 SOL 507 28.810 29.760 4.070 1.00 0.00 +ATOM 1522 OW SOL 508 12.160 23.070 0.670 1.00 0.00 +ATOM 1523 HW1 SOL 508 11.610 22.970 -0.100 1.00 0.00 +ATOM 1524 HW2 SOL 508 12.570 23.930 0.570 1.00 0.00 +ATOM 1525 OW SOL 509 21.230 24.160 13.850 1.00 0.00 +ATOM 1526 HW1 SOL 509 21.140 25.110 13.780 1.00 0.00 +ATOM 1527 HW2 SOL 509 20.330 23.830 13.820 1.00 0.00 +ATOM 1528 OW SOL 510 21.360 2.540 21.270 1.00 0.00 +ATOM 1529 HW1 SOL 510 21.640 1.790 21.790 1.00 0.00 +ATOM 1530 HW2 SOL 510 20.410 2.490 21.270 1.00 0.00 +ATOM 1531 OW SOL 511 16.490 24.100 25.030 1.00 0.00 +ATOM 1532 HW1 SOL 511 16.000 24.290 24.230 1.00 0.00 +ATOM 1533 HW2 SOL 511 17.000 24.900 25.180 1.00 0.00 +ATOM 1534 OW SOL 512 24.170 19.050 6.680 1.00 0.00 +ATOM 1535 HW1 SOL 512 24.920 19.640 6.760 1.00 0.00 +ATOM 1536 HW2 SOL 512 24.200 18.520 7.480 1.00 0.00 +ATOM 1537 OW SOL 513 17.680 27.110 18.210 1.00 0.00 +ATOM 1538 HW1 SOL 513 18.540 27.540 18.240 1.00 0.00 +ATOM 1539 HW2 SOL 513 17.700 26.490 18.940 1.00 0.00 +ATOM 1540 OW SOL 514 27.000 24.880 14.740 1.00 0.00 +ATOM 1541 HW1 SOL 514 27.510 25.690 14.850 1.00 0.00 +ATOM 1542 HW2 SOL 514 26.650 24.950 13.850 1.00 0.00 +ATOM 1543 OW SOL 515 14.010 17.590 13.390 1.00 0.00 +ATOM 1544 HW1 SOL 515 14.280 17.860 12.510 1.00 0.00 +ATOM 1545 HW2 SOL 515 14.830 17.530 13.880 1.00 0.00 +ATOM 1546 OW SOL 516 2.990 16.110 13.250 1.00 0.00 +ATOM 1547 HW1 SOL 516 3.770 15.700 13.620 1.00 0.00 +ATOM 1548 HW2 SOL 516 2.550 16.520 14.000 1.00 0.00 +ATOM 1549 OW SOL 517 22.210 19.250 4.820 1.00 0.00 +ATOM 1550 HW1 SOL 517 22.150 18.460 4.280 1.00 0.00 +ATOM 1551 HW2 SOL 517 22.830 19.020 5.510 1.00 0.00 +ATOM 1552 OW SOL 518 5.520 4.250 16.870 1.00 0.00 +ATOM 1553 HW1 SOL 518 5.120 4.470 16.030 1.00 0.00 +ATOM 1554 HW2 SOL 518 6.260 3.690 16.650 1.00 0.00 +ATOM 1555 OW SOL 519 19.470 7.720 18.110 1.00 0.00 +ATOM 1556 HW1 SOL 519 20.370 7.860 18.420 1.00 0.00 +ATOM 1557 HW2 SOL 519 19.190 6.910 18.540 1.00 0.00 +ATOM 1558 OW SOL 520 8.370 13.850 22.960 1.00 0.00 +ATOM 1559 HW1 SOL 520 7.500 13.490 23.130 1.00 0.00 +ATOM 1560 HW2 SOL 520 8.200 14.760 22.700 1.00 0.00 +ATOM 1561 OW SOL 521 11.110 3.820 18.810 1.00 0.00 +ATOM 1562 HW1 SOL 521 12.020 3.910 19.110 1.00 0.00 +ATOM 1563 HW2 SOL 521 11.120 4.150 17.910 1.00 0.00 +ATOM 1564 OW SOL 522 22.940 10.690 26.560 1.00 0.00 +ATOM 1565 HW1 SOL 522 22.030 10.900 26.780 1.00 0.00 +ATOM 1566 HW2 SOL 522 23.450 11.060 27.280 1.00 0.00 +ATOM 1567 OW SOL 523 14.990 16.010 17.900 1.00 0.00 +ATOM 1568 HW1 SOL 523 14.570 16.870 17.970 1.00 0.00 +ATOM 1569 HW2 SOL 523 14.380 15.410 18.310 1.00 0.00 +ATOM 1570 OW SOL 524 0.320 9.150 17.980 1.00 0.00 +ATOM 1571 HW1 SOL 524 -0.050 8.470 17.410 1.00 0.00 +ATOM 1572 HW2 SOL 524 0.640 9.820 17.370 1.00 0.00 +ATOM 1573 OW SOL 525 24.720 8.320 28.120 1.00 0.00 +ATOM 1574 HW1 SOL 525 24.060 8.760 27.580 1.00 0.00 +ATOM 1575 HW2 SOL 525 25.560 8.640 27.780 1.00 0.00 +ATOM 1576 OW SOL 526 6.030 13.140 9.170 1.00 0.00 +ATOM 1577 HW1 SOL 526 5.160 12.940 9.510 1.00 0.00 +ATOM 1578 HW2 SOL 526 6.220 14.020 9.480 1.00 0.00 +ATOM 1579 OW SOL 527 27.930 27.430 1.530 1.00 0.00 +ATOM 1580 HW1 SOL 527 27.460 28.060 1.000 1.00 0.00 +ATOM 1581 HW2 SOL 527 27.790 27.720 2.430 1.00 0.00 +ATOM 1582 OW SOL 528 1.900 12.200 23.000 1.00 0.00 +ATOM 1583 HW1 SOL 528 0.970 12.210 22.780 1.00 0.00 +ATOM 1584 HW2 SOL 528 1.980 11.470 23.620 1.00 0.00 +ATOM 1585 OW SOL 529 0.360 0.830 1.820 1.00 0.00 +ATOM 1586 HW1 SOL 529 0.380 -0.110 1.980 1.00 0.00 +ATOM 1587 HW2 SOL 529 1.030 1.190 2.400 1.00 0.00 +ATOM 1588 OW SOL 530 22.370 15.730 1.110 1.00 0.00 +ATOM 1589 HW1 SOL 530 21.660 16.330 0.870 1.00 0.00 +ATOM 1590 HW2 SOL 530 22.180 15.490 2.020 1.00 0.00 +ATOM 1591 OW SOL 531 26.570 18.040 17.810 1.00 0.00 +ATOM 1592 HW1 SOL 531 26.170 17.880 18.660 1.00 0.00 +ATOM 1593 HW2 SOL 531 27.330 17.460 17.790 1.00 0.00 +ATOM 1594 OW SOL 532 19.290 5.900 5.450 1.00 0.00 +ATOM 1595 HW1 SOL 532 19.500 6.810 5.680 1.00 0.00 +ATOM 1596 HW2 SOL 532 18.980 5.950 4.550 1.00 0.00 +ATOM 1597 OW SOL 533 5.110 26.430 23.440 1.00 0.00 +ATOM 1598 HW1 SOL 533 4.930 25.590 23.860 1.00 0.00 +ATOM 1599 HW2 SOL 533 5.030 26.260 22.500 1.00 0.00 +ATOM 1600 OW SOL 534 15.340 6.830 3.230 1.00 0.00 +ATOM 1601 HW1 SOL 534 14.580 6.700 3.790 1.00 0.00 +ATOM 1602 HW2 SOL 534 16.040 7.090 3.830 1.00 0.00 +ATOM 1603 OW SOL 535 25.880 8.090 13.930 1.00 0.00 +ATOM 1604 HW1 SOL 535 25.110 7.620 13.610 1.00 0.00 +ATOM 1605 HW2 SOL 535 25.750 9.000 13.660 1.00 0.00 +ATOM 1606 OW SOL 536 16.040 24.190 5.780 1.00 0.00 +ATOM 1607 HW1 SOL 536 15.490 24.600 5.110 1.00 0.00 +ATOM 1608 HW2 SOL 536 16.880 24.650 5.710 1.00 0.00 +ATOM 1609 OW SOL 537 20.320 27.890 26.580 1.00 0.00 +ATOM 1610 HW1 SOL 537 21.120 28.180 27.030 1.00 0.00 +ATOM 1611 HW2 SOL 537 19.630 28.010 27.220 1.00 0.00 +ATOM 1612 OW SOL 538 4.880 14.940 15.250 1.00 0.00 +ATOM 1613 HW1 SOL 538 5.000 14.900 16.200 1.00 0.00 +ATOM 1614 HW2 SOL 538 5.770 14.900 14.900 1.00 0.00 +ATOM 1615 OW SOL 539 19.510 0.790 6.810 1.00 0.00 +ATOM 1616 HW1 SOL 539 20.200 0.130 6.830 1.00 0.00 +ATOM 1617 HW2 SOL 539 19.930 1.590 7.120 1.00 0.00 +ATOM 1618 OW SOL 540 13.120 27.140 16.480 1.00 0.00 +ATOM 1619 HW1 SOL 540 12.630 26.800 17.230 1.00 0.00 +ATOM 1620 HW2 SOL 540 13.980 26.720 16.550 1.00 0.00 +ATOM 1621 OW SOL 541 11.990 6.790 0.760 1.00 0.00 +ATOM 1622 HW1 SOL 541 12.620 6.150 0.420 1.00 0.00 +ATOM 1623 HW2 SOL 541 11.390 6.950 0.040 1.00 0.00 +ATOM 1624 OW SOL 542 15.760 9.160 16.240 1.00 0.00 +ATOM 1625 HW1 SOL 542 16.310 9.750 15.720 1.00 0.00 +ATOM 1626 HW2 SOL 542 14.870 9.470 16.060 1.00 0.00 +ATOM 1627 OW SOL 543 5.930 -0.230 27.030 1.00 0.00 +ATOM 1628 HW1 SOL 543 6.550 0.010 27.720 1.00 0.00 +ATOM 1629 HW2 SOL 543 6.110 0.410 26.330 1.00 0.00 +ATOM 1630 OW SOL 544 3.090 26.880 9.820 1.00 0.00 +ATOM 1631 HW1 SOL 544 3.140 25.930 9.680 1.00 0.00 +ATOM 1632 HW2 SOL 544 3.330 27.260 8.980 1.00 0.00 +ATOM 1633 OW SOL 545 12.250 11.200 23.430 1.00 0.00 +ATOM 1634 HW1 SOL 545 11.760 12.000 23.600 1.00 0.00 +ATOM 1635 HW2 SOL 545 13.090 11.340 23.850 1.00 0.00 +ATOM 1636 OW SOL 546 23.680 12.100 8.920 1.00 0.00 +ATOM 1637 HW1 SOL 546 23.550 12.900 9.420 1.00 0.00 +ATOM 1638 HW2 SOL 546 23.030 11.490 9.280 1.00 0.00 +ATOM 1639 OW SOL 547 6.340 18.740 27.790 1.00 0.00 +ATOM 1640 HW1 SOL 547 5.760 19.430 27.490 1.00 0.00 +ATOM 1641 HW2 SOL 547 6.050 18.550 28.680 1.00 0.00 +ATOM 1642 OW SOL 548 11.230 29.340 8.990 1.00 0.00 +ATOM 1643 HW1 SOL 548 12.160 29.460 8.820 1.00 0.00 +ATOM 1644 HW2 SOL 548 10.950 28.640 8.400 1.00 0.00 +ATOM 1645 OW SOL 549 20.020 20.100 10.760 1.00 0.00 +ATOM 1646 HW1 SOL 549 20.490 20.180 11.590 1.00 0.00 +ATOM 1647 HW2 SOL 549 20.500 20.680 10.160 1.00 0.00 +ATOM 1648 OW SOL 550 11.990 2.540 1.740 1.00 0.00 +ATOM 1649 HW1 SOL 550 12.700 2.260 1.170 1.00 0.00 +ATOM 1650 HW2 SOL 550 11.200 2.430 1.220 1.00 0.00 +ATOM 1651 OW SOL 551 26.910 8.880 26.250 1.00 0.00 +ATOM 1652 HW1 SOL 551 27.080 9.700 25.790 1.00 0.00 +ATOM 1653 HW2 SOL 551 27.270 8.200 25.690 1.00 0.00 +ATOM 1654 OW SOL 552 1.240 5.400 1.710 1.00 0.00 +ATOM 1655 HW1 SOL 552 1.240 5.450 2.670 1.00 0.00 +ATOM 1656 HW2 SOL 552 1.360 6.310 1.430 1.00 0.00 +ATOM 1657 OW SOL 553 3.200 9.500 29.570 1.00 0.00 +ATOM 1658 HW1 SOL 553 3.130 9.070 30.420 1.00 0.00 +ATOM 1659 HW2 SOL 553 2.310 9.810 29.390 1.00 0.00 +ATOM 1660 OW SOL 554 15.270 16.710 23.120 1.00 0.00 +ATOM 1661 HW1 SOL 554 16.170 16.460 22.920 1.00 0.00 +ATOM 1662 HW2 SOL 554 14.780 15.890 23.110 1.00 0.00 +ATOM 1663 OW SOL 555 19.140 17.840 24.150 1.00 0.00 +ATOM 1664 HW1 SOL 555 20.090 17.790 24.050 1.00 0.00 +ATOM 1665 HW2 SOL 555 19.000 18.180 25.040 1.00 0.00 +ATOM 1666 OW SOL 556 10.670 8.400 28.720 1.00 0.00 +ATOM 1667 HW1 SOL 556 11.260 8.220 27.990 1.00 0.00 +ATOM 1668 HW2 SOL 556 10.450 9.330 28.640 1.00 0.00 +ATOM 1669 OW SOL 557 2.120 17.690 10.820 1.00 0.00 +ATOM 1670 HW1 SOL 557 3.010 17.710 11.160 1.00 0.00 +ATOM 1671 HW2 SOL 557 1.720 18.490 11.160 1.00 0.00 +ATOM 1672 OW SOL 558 16.180 6.350 11.440 1.00 0.00 +ATOM 1673 HW1 SOL 558 16.140 6.810 12.280 1.00 0.00 +ATOM 1674 HW2 SOL 558 15.530 6.800 10.890 1.00 0.00 +ATOM 1675 OW SOL 559 10.790 3.760 9.420 1.00 0.00 +ATOM 1676 HW1 SOL 559 11.390 4.360 8.970 1.00 0.00 +ATOM 1677 HW2 SOL 559 11.140 3.680 10.300 1.00 0.00 +ATOM 1678 OW SOL 560 26.330 26.990 10.490 1.00 0.00 +ATOM 1679 HW1 SOL 560 26.740 27.360 9.710 1.00 0.00 +ATOM 1680 HW2 SOL 560 25.450 27.380 10.500 1.00 0.00 +ATOM 1681 OW SOL 561 7.320 15.310 14.180 1.00 0.00 +ATOM 1682 HW1 SOL 561 7.790 14.600 13.730 1.00 0.00 +ATOM 1683 HW2 SOL 561 7.960 16.020 14.230 1.00 0.00 +ATOM 1684 OW SOL 562 11.940 22.280 24.520 1.00 0.00 +ATOM 1685 HW1 SOL 562 12.220 22.470 25.410 1.00 0.00 +ATOM 1686 HW2 SOL 562 11.020 22.030 24.600 1.00 0.00 +ATOM 1687 OW SOL 563 13.480 4.410 29.600 1.00 0.00 +ATOM 1688 HW1 SOL 563 13.740 5.130 29.030 1.00 0.00 +ATOM 1689 HW2 SOL 563 13.920 4.590 30.430 1.00 0.00 +ATOM 1690 OW SOL 564 3.970 13.080 18.480 1.00 0.00 +ATOM 1691 HW1 SOL 564 4.430 13.800 18.930 1.00 0.00 +ATOM 1692 HW2 SOL 564 3.470 12.640 19.170 1.00 0.00 +ATOM 1693 OW SOL 565 28.890 17.700 24.610 1.00 0.00 +ATOM 1694 HW1 SOL 565 29.120 18.300 25.330 1.00 0.00 +ATOM 1695 HW2 SOL 565 29.140 18.170 23.820 1.00 0.00 +ATOM 1696 OW SOL 566 15.530 26.040 16.960 1.00 0.00 +ATOM 1697 HW1 SOL 566 15.890 25.240 16.590 1.00 0.00 +ATOM 1698 HW2 SOL 566 16.280 26.520 17.300 1.00 0.00 +ATOM 1699 OW SOL 567 13.230 6.870 17.950 1.00 0.00 +ATOM 1700 HW1 SOL 567 14.080 7.220 18.230 1.00 0.00 +ATOM 1701 HW2 SOL 567 13.450 6.150 17.360 1.00 0.00 +ATOM 1702 OW SOL 568 26.180 20.360 8.570 1.00 0.00 +ATOM 1703 HW1 SOL 568 26.380 20.610 7.670 1.00 0.00 +ATOM 1704 HW2 SOL 568 26.740 20.930 9.100 1.00 0.00 +ATOM 1705 OW SOL 569 28.620 29.530 22.160 1.00 0.00 +ATOM 1706 HW1 SOL 569 29.320 29.940 22.670 1.00 0.00 +ATOM 1707 HW2 SOL 569 29.030 29.280 21.340 1.00 0.00 +ATOM 1708 OW SOL 570 5.380 10.710 3.620 1.00 0.00 +ATOM 1709 HW1 SOL 570 5.350 11.310 4.360 1.00 0.00 +ATOM 1710 HW2 SOL 570 4.970 9.900 3.940 1.00 0.00 +ATOM 1711 OW SOL 571 26.120 16.010 29.770 1.00 0.00 +ATOM 1712 HW1 SOL 571 26.510 15.890 30.640 1.00 0.00 +ATOM 1713 HW2 SOL 571 25.330 15.470 29.780 1.00 0.00 +ATOM 1714 OW SOL 572 22.300 13.380 23.290 1.00 0.00 +ATOM 1715 HW1 SOL 572 23.220 13.100 23.240 1.00 0.00 +ATOM 1716 HW2 SOL 572 21.810 12.560 23.310 1.00 0.00 +ATOM 1717 OW SOL 573 15.720 9.480 21.200 1.00 0.00 +ATOM 1718 HW1 SOL 573 14.890 9.640 21.660 1.00 0.00 +ATOM 1719 HW2 SOL 573 15.500 8.800 20.550 1.00 0.00 +ATOM 1720 OW SOL 574 12.430 27.630 13.930 1.00 0.00 +ATOM 1721 HW1 SOL 574 12.650 27.680 14.860 1.00 0.00 +ATOM 1722 HW2 SOL 574 13.110 28.150 13.500 1.00 0.00 +ATOM 1723 OW SOL 575 28.910 2.000 16.050 1.00 0.00 +ATOM 1724 HW1 SOL 575 28.960 2.860 16.470 1.00 0.00 +ATOM 1725 HW2 SOL 575 28.900 1.380 16.780 1.00 0.00 +ATOM 1726 OW SOL 576 2.650 4.390 17.720 1.00 0.00 +ATOM 1727 HW1 SOL 576 2.390 4.000 16.880 1.00 0.00 +ATOM 1728 HW2 SOL 576 3.530 4.720 17.570 1.00 0.00 +ATOM 1729 OW SOL 577 7.000 21.270 14.300 1.00 0.00 +ATOM 1730 HW1 SOL 577 6.770 21.820 13.560 1.00 0.00 +ATOM 1731 HW2 SOL 577 7.200 20.410 13.920 1.00 0.00 +ATOM 1732 OW SOL 578 2.900 5.590 20.150 1.00 0.00 +ATOM 1733 HW1 SOL 578 2.870 5.020 19.390 1.00 0.00 +ATOM 1734 HW2 SOL 578 3.790 5.940 20.150 1.00 0.00 +ATOM 1735 OW SOL 579 3.940 24.590 13.510 1.00 0.00 +ATOM 1736 HW1 SOL 579 4.150 25.420 13.940 1.00 0.00 +ATOM 1737 HW2 SOL 579 3.040 24.400 13.780 1.00 0.00 +ATOM 1738 OW SOL 580 19.840 0.570 24.530 1.00 0.00 +ATOM 1739 HW1 SOL 580 19.980 0.180 25.390 1.00 0.00 +ATOM 1740 HW2 SOL 580 19.870 1.510 24.680 1.00 0.00 +ATOM 1741 OW SOL 581 19.950 24.490 29.190 1.00 0.00 +ATOM 1742 HW1 SOL 581 20.280 23.590 29.240 1.00 0.00 +ATOM 1743 HW2 SOL 581 19.340 24.570 29.920 1.00 0.00 +ATOM 1744 OW SOL 582 10.620 9.380 24.610 1.00 0.00 +ATOM 1745 HW1 SOL 582 11.320 9.990 24.350 1.00 0.00 +ATOM 1746 HW2 SOL 582 10.120 9.860 25.270 1.00 0.00 +ATOM 1747 OW SOL 583 10.330 19.960 -0.230 1.00 0.00 +ATOM 1748 HW1 SOL 583 9.770 20.160 0.520 1.00 0.00 +ATOM 1749 HW2 SOL 583 10.660 19.080 -0.060 1.00 0.00 +ATOM 1750 OW SOL 584 17.490 8.470 5.020 1.00 0.00 +ATOM 1751 HW1 SOL 584 18.050 8.280 5.780 1.00 0.00 +ATOM 1752 HW2 SOL 584 18.090 8.550 4.290 1.00 0.00 +ATOM 1753 OW SOL 585 2.620 8.800 8.800 1.00 0.00 +ATOM 1754 HW1 SOL 585 3.170 8.070 8.510 1.00 0.00 +ATOM 1755 HW2 SOL 585 2.620 8.740 9.750 1.00 0.00 +ATOM 1756 OW SOL 586 10.850 11.380 30.240 1.00 0.00 +ATOM 1757 HW1 SOL 586 10.730 12.280 29.920 1.00 0.00 +ATOM 1758 HW2 SOL 586 11.760 11.180 30.060 1.00 0.00 +ATOM 1759 OW SOL 587 18.590 10.760 18.500 1.00 0.00 +ATOM 1760 HW1 SOL 587 19.100 11.050 19.260 1.00 0.00 +ATOM 1761 HW2 SOL 587 18.870 9.850 18.360 1.00 0.00 +ATOM 1762 OW SOL 588 12.000 3.430 11.900 1.00 0.00 +ATOM 1763 HW1 SOL 588 12.600 2.710 12.060 1.00 0.00 +ATOM 1764 HW2 SOL 588 12.510 4.060 11.390 1.00 0.00 +ATOM 1765 OW SOL 589 5.800 19.850 7.480 1.00 0.00 +ATOM 1766 HW1 SOL 589 5.160 19.770 6.770 1.00 0.00 +ATOM 1767 HW2 SOL 589 6.640 19.950 7.030 1.00 0.00 +ATOM 1768 OW SOL 590 12.300 25.220 24.270 1.00 0.00 +ATOM 1769 HW1 SOL 590 12.560 25.740 23.510 1.00 0.00 +ATOM 1770 HW2 SOL 590 12.080 24.360 23.910 1.00 0.00 +ATOM 1771 OW SOL 591 27.580 0.770 12.010 1.00 0.00 +ATOM 1772 HW1 SOL 591 26.620 0.760 11.960 1.00 0.00 +ATOM 1773 HW2 SOL 591 27.870 0.350 11.200 1.00 0.00 +ATOM 1774 OW SOL 592 18.410 5.820 2.500 1.00 0.00 +ATOM 1775 HW1 SOL 592 19.080 5.210 2.160 1.00 0.00 +ATOM 1776 HW2 SOL 592 17.830 5.270 3.030 1.00 0.00 +ATOM 1777 OW SOL 593 8.840 13.030 25.740 1.00 0.00 +ATOM 1778 HW1 SOL 593 8.700 12.710 24.850 1.00 0.00 +ATOM 1779 HW2 SOL 593 8.370 13.870 25.770 1.00 0.00 +ATOM 1780 OW SOL 594 16.050 10.470 10.920 1.00 0.00 +ATOM 1781 HW1 SOL 594 16.130 11.420 10.840 1.00 0.00 +ATOM 1782 HW2 SOL 594 16.500 10.120 10.150 1.00 0.00 +ATOM 1783 OW SOL 595 0.570 9.110 2.650 1.00 0.00 +ATOM 1784 HW1 SOL 595 0.260 8.880 1.780 1.00 0.00 +ATOM 1785 HW2 SOL 595 -0.180 8.950 3.230 1.00 0.00 +ATOM 1786 OW SOL 596 9.890 1.400 19.420 1.00 0.00 +ATOM 1787 HW1 SOL 596 8.970 1.270 19.220 1.00 0.00 +ATOM 1788 HW2 SOL 596 10.110 2.250 19.060 1.00 0.00 +ATOM 1789 OW SOL 597 3.270 8.470 11.410 1.00 0.00 +ATOM 1790 HW1 SOL 597 2.620 8.520 12.120 1.00 0.00 +ATOM 1791 HW2 SOL 597 4.110 8.630 11.840 1.00 0.00 +ATOM 1792 OW SOL 598 27.360 24.050 5.300 1.00 0.00 +ATOM 1793 HW1 SOL 598 26.880 24.860 5.090 1.00 0.00 +ATOM 1794 HW2 SOL 598 27.280 23.960 6.240 1.00 0.00 +ATOM 1795 OW SOL 599 18.030 16.900 4.500 1.00 0.00 +ATOM 1796 HW1 SOL 599 17.110 16.850 4.240 1.00 0.00 +ATOM 1797 HW2 SOL 599 18.230 17.840 4.480 1.00 0.00 +ATOM 1798 OW SOL 600 0.300 10.970 11.530 1.00 0.00 +ATOM 1799 HW1 SOL 600 0.910 10.650 12.190 1.00 0.00 +ATOM 1800 HW2 SOL 600 0.170 10.230 10.940 1.00 0.00 +ATOM 1801 OW SOL 601 7.550 2.120 0.860 1.00 0.00 +ATOM 1802 HW1 SOL 601 8.210 2.780 0.660 1.00 0.00 +ATOM 1803 HW2 SOL 601 7.460 2.150 1.810 1.00 0.00 +ATOM 1804 OW SOL 602 24.480 17.720 27.810 1.00 0.00 +ATOM 1805 HW1 SOL 602 24.320 17.080 28.500 1.00 0.00 +ATOM 1806 HW2 SOL 602 25.140 17.300 27.250 1.00 0.00 +ATOM 1807 OW SOL 603 6.930 27.730 2.130 1.00 0.00 +ATOM 1808 HW1 SOL 603 6.820 26.810 1.890 1.00 0.00 +ATOM 1809 HW2 SOL 603 6.130 27.950 2.600 1.00 0.00 +ATOM 1810 OW SOL 604 17.680 15.250 17.750 1.00 0.00 +ATOM 1811 HW1 SOL 604 16.950 15.830 17.520 1.00 0.00 +ATOM 1812 HW2 SOL 604 17.300 14.370 17.730 1.00 0.00 +ATOM 1813 OW SOL 605 21.390 28.740 29.430 1.00 0.00 +ATOM 1814 HW1 SOL 605 20.770 28.150 29.870 1.00 0.00 +ATOM 1815 HW2 SOL 605 22.190 28.670 29.940 1.00 0.00 +ATOM 1816 OW SOL 606 24.490 10.400 20.580 1.00 0.00 +ATOM 1817 HW1 SOL 606 24.950 9.890 19.910 1.00 0.00 +ATOM 1818 HW2 SOL 606 23.970 9.750 21.050 1.00 0.00 +ATOM 1819 OW SOL 607 15.440 9.250 1.980 1.00 0.00 +ATOM 1820 HW1 SOL 607 15.830 9.090 1.120 1.00 0.00 +ATOM 1821 HW2 SOL 607 15.340 8.370 2.360 1.00 0.00 +ATOM 1822 OW SOL 608 18.610 8.070 15.550 1.00 0.00 +ATOM 1823 HW1 SOL 608 18.630 8.350 16.460 1.00 0.00 +ATOM 1824 HW2 SOL 608 17.910 8.590 15.150 1.00 0.00 +ATOM 1825 OW SOL 609 5.590 8.810 14.980 1.00 0.00 +ATOM 1826 HW1 SOL 609 6.010 7.970 14.840 1.00 0.00 +ATOM 1827 HW2 SOL 609 6.140 9.260 15.620 1.00 0.00 +ATOM 1828 OW SOL 610 2.400 25.410 21.510 1.00 0.00 +ATOM 1829 HW1 SOL 610 1.800 25.040 22.160 1.00 0.00 +ATOM 1830 HW2 SOL 610 1.920 26.130 21.110 1.00 0.00 +ATOM 1831 OW SOL 611 16.200 0.920 17.640 1.00 0.00 +ATOM 1832 HW1 SOL 611 16.300 0.290 16.930 1.00 0.00 +ATOM 1833 HW2 SOL 611 17.090 1.070 17.960 1.00 0.00 +ATOM 1834 OW SOL 612 21.410 9.470 8.360 1.00 0.00 +ATOM 1835 HW1 SOL 612 20.980 10.290 8.570 1.00 0.00 +ATOM 1836 HW2 SOL 612 21.990 9.290 9.100 1.00 0.00 +ATOM 1837 OW SOL 613 27.260 26.740 23.470 1.00 0.00 +ATOM 1838 HW1 SOL 613 27.380 27.610 23.090 1.00 0.00 +ATOM 1839 HW2 SOL 613 26.320 26.580 23.400 1.00 0.00 +ATOM 1840 OW SOL 614 20.760 4.530 24.470 1.00 0.00 +ATOM 1841 HW1 SOL 614 20.790 4.910 23.600 1.00 0.00 +ATOM 1842 HW2 SOL 614 21.660 4.240 24.640 1.00 0.00 +ATOM 1843 OW SOL 615 13.230 27.600 4.230 1.00 0.00 +ATOM 1844 HW1 SOL 615 13.880 28.000 3.650 1.00 0.00 +ATOM 1845 HW2 SOL 615 12.390 27.790 3.820 1.00 0.00 +ATOM 1846 OW SOL 616 25.980 20.990 5.720 1.00 0.00 +ATOM 1847 HW1 SOL 616 25.650 20.620 4.900 1.00 0.00 +ATOM 1848 HW2 SOL 616 26.420 21.800 5.460 1.00 0.00 +ATOM 1849 OW SOL 617 8.920 26.630 19.180 1.00 0.00 +ATOM 1850 HW1 SOL 617 8.510 27.080 19.930 1.00 0.00 +ATOM 1851 HW2 SOL 617 9.470 27.290 18.780 1.00 0.00 +ATOM 1852 OW SOL 618 5.810 13.460 28.320 1.00 0.00 +ATOM 1853 HW1 SOL 618 6.530 12.820 28.370 1.00 0.00 +ATOM 1854 HW2 SOL 618 6.240 14.310 28.430 1.00 0.00 +ATOM 1855 OW SOL 619 13.600 26.570 26.300 1.00 0.00 +ATOM 1856 HW1 SOL 619 14.130 27.220 25.840 1.00 0.00 +ATOM 1857 HW2 SOL 619 12.990 26.240 25.640 1.00 0.00 +ATOM 1858 OW SOL 620 27.190 11.620 14.240 1.00 0.00 +ATOM 1859 HW1 SOL 620 27.240 12.060 13.390 1.00 0.00 +ATOM 1860 HW2 SOL 620 26.970 12.310 14.850 1.00 0.00 +ATOM 1861 OW SOL 621 9.260 13.530 12.600 1.00 0.00 +ATOM 1862 HW1 SOL 621 10.110 13.500 13.040 1.00 0.00 +ATOM 1863 HW2 SOL 621 9.440 13.890 11.740 1.00 0.00 +ATOM 1864 OW SOL 622 12.990 24.290 14.630 1.00 0.00 +ATOM 1865 HW1 SOL 622 12.440 24.830 15.210 1.00 0.00 +ATOM 1866 HW2 SOL 622 12.520 24.270 13.800 1.00 0.00 +ATOM 1867 OW SOL 623 16.550 16.360 28.660 1.00 0.00 +ATOM 1868 HW1 SOL 623 16.140 17.220 28.770 1.00 0.00 +ATOM 1869 HW2 SOL 623 16.050 15.950 27.940 1.00 0.00 +ATOM 1870 OW SOL 624 7.990 12.250 19.740 1.00 0.00 +ATOM 1871 HW1 SOL 624 7.530 12.410 18.920 1.00 0.00 +ATOM 1872 HW2 SOL 624 7.290 12.000 20.360 1.00 0.00 +ATOM 1873 OW SOL 625 29.560 6.770 16.760 1.00 0.00 +ATOM 1874 HW1 SOL 625 29.930 5.950 17.090 1.00 0.00 +ATOM 1875 HW2 SOL 625 28.910 6.490 16.110 1.00 0.00 +ATOM 1876 OW SOL 626 14.220 28.430 12.070 1.00 0.00 +ATOM 1877 HW1 SOL 626 14.830 28.960 11.550 1.00 0.00 +ATOM 1878 HW2 SOL 626 14.200 27.580 11.630 1.00 0.00 +ATOM 1879 OW SOL 627 13.860 6.700 28.360 1.00 0.00 +ATOM 1880 HW1 SOL 627 13.410 6.880 27.540 1.00 0.00 +ATOM 1881 HW2 SOL 627 14.770 6.940 28.190 1.00 0.00 +ATOM 1882 OW SOL 628 23.160 2.980 16.140 1.00 0.00 +ATOM 1883 HW1 SOL 628 23.890 2.480 16.510 1.00 0.00 +ATOM 1884 HW2 SOL 628 23.500 3.300 15.300 1.00 0.00 +ATOM 1885 OW SOL 629 1.120 3.550 5.750 1.00 0.00 +ATOM 1886 HW1 SOL 629 0.770 4.270 5.230 1.00 0.00 +ATOM 1887 HW2 SOL 629 0.870 3.750 6.650 1.00 0.00 +ATOM 1888 OW SOL 630 14.030 22.300 6.150 1.00 0.00 +ATOM 1889 HW1 SOL 630 14.460 23.150 6.280 1.00 0.00 +ATOM 1890 HW2 SOL 630 14.530 21.690 6.690 1.00 0.00 +ATOM 1891 OW SOL 631 0.080 16.280 3.850 1.00 0.00 +ATOM 1892 HW1 SOL 631 0.010 17.130 4.280 1.00 0.00 +ATOM 1893 HW2 SOL 631 0.870 16.350 3.310 1.00 0.00 +ATOM 1894 OW SOL 632 23.300 8.600 22.370 1.00 0.00 +ATOM 1895 HW1 SOL 632 22.490 8.280 22.750 1.00 0.00 +ATOM 1896 HW2 SOL 632 23.890 8.720 23.120 1.00 0.00 +ATOM 1897 OW SOL 633 25.470 2.590 1.320 1.00 0.00 +ATOM 1898 HW1 SOL 633 26.180 3.190 1.530 1.00 0.00 +ATOM 1899 HW2 SOL 633 24.680 3.030 1.640 1.00 0.00 +ATOM 1900 OW SOL 634 19.350 23.840 17.540 1.00 0.00 +ATOM 1901 HW1 SOL 634 18.450 23.780 17.210 1.00 0.00 +ATOM 1902 HW2 SOL 634 19.720 24.600 17.080 1.00 0.00 +ATOM 1903 OW SOL 635 9.200 14.060 17.100 1.00 0.00 +ATOM 1904 HW1 SOL 635 8.250 13.960 17.090 1.00 0.00 +ATOM 1905 HW2 SOL 635 9.530 13.170 17.040 1.00 0.00 +ATOM 1906 OW SOL 636 26.900 23.280 17.050 1.00 0.00 +ATOM 1907 HW1 SOL 636 26.100 23.600 17.470 1.00 0.00 +ATOM 1908 HW2 SOL 636 26.940 23.760 16.220 1.00 0.00 +ATOM 1909 OW SOL 637 4.140 17.490 3.140 1.00 0.00 +ATOM 1910 HW1 SOL 637 3.390 17.180 2.630 1.00 0.00 +ATOM 1911 HW2 SOL 637 4.910 17.190 2.660 1.00 0.00 +ATOM 1912 OW SOL 638 28.410 1.360 -0.010 1.00 0.00 +ATOM 1913 HW1 SOL 638 28.740 1.190 0.870 1.00 0.00 +ATOM 1914 HW2 SOL 638 29.170 1.210 -0.580 1.00 0.00 +ATOM 1915 OW SOL 639 15.410 16.900 7.140 1.00 0.00 +ATOM 1916 HW1 SOL 639 15.290 17.780 6.770 1.00 0.00 +ATOM 1917 HW2 SOL 639 16.360 16.760 7.110 1.00 0.00 +ATOM 1918 OW SOL 640 5.880 22.940 16.090 1.00 0.00 +ATOM 1919 HW1 SOL 640 6.200 23.830 15.960 1.00 0.00 +ATOM 1920 HW2 SOL 640 6.320 22.430 15.410 1.00 0.00 +ATOM 1921 OW SOL 641 23.030 26.270 27.440 1.00 0.00 +ATOM 1922 HW1 SOL 641 22.440 25.590 27.120 1.00 0.00 +ATOM 1923 HW2 SOL 641 22.530 26.720 28.130 1.00 0.00 +ATOM 1924 OW SOL 642 0.340 22.680 16.570 1.00 0.00 +ATOM 1925 HW1 SOL 642 1.100 22.250 16.950 1.00 0.00 +ATOM 1926 HW2 SOL 642 -0.410 22.160 16.860 1.00 0.00 +ATOM 1927 OW SOL 643 18.780 27.520 29.970 1.00 0.00 +ATOM 1928 HW1 SOL 643 18.330 26.720 29.710 1.00 0.00 +ATOM 1929 HW2 SOL 643 18.270 28.230 29.560 1.00 0.00 +ATOM 1930 OW SOL 644 3.090 21.360 28.060 1.00 0.00 +ATOM 1931 HW1 SOL 644 2.350 20.970 28.530 1.00 0.00 +ATOM 1932 HW2 SOL 644 2.670 21.860 27.350 1.00 0.00 +ATOM 1933 OW SOL 645 1.040 14.630 16.530 1.00 0.00 +ATOM 1934 HW1 SOL 645 1.450 14.780 17.380 1.00 0.00 +ATOM 1935 HW2 SOL 645 1.500 15.240 15.940 1.00 0.00 +ATOM 1936 OW SOL 646 1.370 20.130 11.450 1.00 0.00 +ATOM 1937 HW1 SOL 646 1.840 20.440 12.230 1.00 0.00 +ATOM 1938 HW2 SOL 646 0.460 20.410 11.600 1.00 0.00 +ATOM 1939 OW SOL 647 15.010 13.130 19.650 1.00 0.00 +ATOM 1940 HW1 SOL 647 14.530 13.850 20.070 1.00 0.00 +ATOM 1941 HW2 SOL 647 14.390 12.410 19.620 1.00 0.00 +ATOM 1942 OW SOL 648 1.450 19.970 4.080 1.00 0.00 +ATOM 1943 HW1 SOL 648 2.400 20.090 4.180 1.00 0.00 +ATOM 1944 HW2 SOL 648 1.080 20.820 4.280 1.00 0.00 +ATOM 1945 OW SOL 649 23.240 6.230 10.210 1.00 0.00 +ATOM 1946 HW1 SOL 649 22.510 6.140 10.820 1.00 0.00 +ATOM 1947 HW2 SOL 649 23.710 7.000 10.510 1.00 0.00 +ATOM 1948 OW SOL 650 11.820 14.490 16.770 1.00 0.00 +ATOM 1949 HW1 SOL 650 11.770 13.550 16.900 1.00 0.00 +ATOM 1950 HW2 SOL 650 10.910 14.790 16.780 1.00 0.00 +ATOM 1951 OW SOL 651 17.850 9.740 29.200 1.00 0.00 +ATOM 1952 HW1 SOL 651 17.760 9.940 28.270 1.00 0.00 +ATOM 1953 HW2 SOL 651 17.760 8.790 29.250 1.00 0.00 +ATOM 1954 OW SOL 652 10.180 9.230 10.520 1.00 0.00 +ATOM 1955 HW1 SOL 652 9.410 9.760 10.710 1.00 0.00 +ATOM 1956 HW2 SOL 652 10.340 9.370 9.580 1.00 0.00 +ATOM 1957 OW SOL 653 6.130 3.770 11.500 1.00 0.00 +ATOM 1958 HW1 SOL 653 5.750 2.900 11.620 1.00 0.00 +ATOM 1959 HW2 SOL 653 5.370 4.350 11.360 1.00 0.00 +ATOM 1960 OW SOL 654 16.740 22.430 21.490 1.00 0.00 +ATOM 1961 HW1 SOL 654 17.430 21.770 21.500 1.00 0.00 +ATOM 1962 HW2 SOL 654 15.930 21.930 21.450 1.00 0.00 +ATOM 1963 OW SOL 655 8.870 5.180 27.530 1.00 0.00 +ATOM 1964 HW1 SOL 655 8.860 4.410 26.970 1.00 0.00 +ATOM 1965 HW2 SOL 655 8.440 5.870 27.010 1.00 0.00 +ATOM 1966 OW SOL 656 12.090 16.170 24.340 1.00 0.00 +ATOM 1967 HW1 SOL 656 11.360 16.440 24.900 1.00 0.00 +ATOM 1968 HW2 SOL 656 12.320 16.950 23.840 1.00 0.00 +ATOM 1969 OW SOL 657 18.830 0.890 12.880 1.00 0.00 +ATOM 1970 HW1 SOL 657 18.010 1.310 13.170 1.00 0.00 +ATOM 1971 HW2 SOL 657 19.140 0.430 13.660 1.00 0.00 +ATOM 1972 OW SOL 658 3.390 7.250 15.200 1.00 0.00 +ATOM 1973 HW1 SOL 658 3.820 6.410 15.050 1.00 0.00 +ATOM 1974 HW2 SOL 658 4.110 7.880 15.220 1.00 0.00 +ATOM 1975 OW SOL 659 1.580 24.520 14.890 1.00 0.00 +ATOM 1976 HW1 SOL 659 1.200 23.780 15.370 1.00 0.00 +ATOM 1977 HW2 SOL 659 0.850 24.860 14.370 1.00 0.00 +ATOM 1978 OW SOL 660 2.250 15.010 21.900 1.00 0.00 +ATOM 1979 HW1 SOL 660 1.340 15.050 22.210 1.00 0.00 +ATOM 1980 HW2 SOL 660 2.580 14.190 22.250 1.00 0.00 +ATOM 1981 OW SOL 661 29.460 11.020 19.890 1.00 0.00 +ATOM 1982 HW1 SOL 661 29.780 10.460 19.180 1.00 0.00 +ATOM 1983 HW2 SOL 661 28.710 11.480 19.510 1.00 0.00 +ATOM 1984 OW SOL 662 14.160 2.340 9.170 1.00 0.00 +ATOM 1985 HW1 SOL 662 13.420 2.030 8.650 1.00 0.00 +ATOM 1986 HW2 SOL 662 14.900 2.330 8.560 1.00 0.00 +ATOM 1987 OW SOL 663 13.870 1.600 14.450 1.00 0.00 +ATOM 1988 HW1 SOL 663 13.610 1.320 13.570 1.00 0.00 +ATOM 1989 HW2 SOL 663 13.740 0.830 15.000 1.00 0.00 +ATOM 1990 OW SOL 664 0.420 8.690 5.560 1.00 0.00 +ATOM 1991 HW1 SOL 664 0.670 9.610 5.610 1.00 0.00 +ATOM 1992 HW2 SOL 664 1.250 8.210 5.610 1.00 0.00 +ATOM 1993 OW SOL 665 7.750 6.080 11.890 1.00 0.00 +ATOM 1994 HW1 SOL 665 7.620 5.140 11.780 1.00 0.00 +ATOM 1995 HW2 SOL 665 8.700 6.210 11.790 1.00 0.00 +ATOM 1996 OW SOL 666 7.980 27.630 26.330 1.00 0.00 +ATOM 1997 HW1 SOL 666 8.920 27.600 26.120 1.00 0.00 +ATOM 1998 HW2 SOL 666 7.930 27.430 27.260 1.00 0.00 +ATOM 1999 OW SOL 667 9.970 19.320 21.930 1.00 0.00 +ATOM 2000 HW1 SOL 667 9.210 18.980 22.410 1.00 0.00 +ATOM 2001 HW2 SOL 667 10.680 19.340 22.580 1.00 0.00 +ATOM 2002 OW SOL 668 20.450 26.260 16.480 1.00 0.00 +ATOM 2003 HW1 SOL 668 20.250 26.700 17.300 1.00 0.00 +ATOM 2004 HW2 SOL 668 19.770 26.560 15.870 1.00 0.00 +ATOM 2005 OW SOL 669 1.340 23.080 4.680 1.00 0.00 +ATOM 2006 HW1 SOL 669 2.090 23.500 4.250 1.00 0.00 +ATOM 2007 HW2 SOL 669 1.570 23.090 5.620 1.00 0.00 +ATOM 2008 OW SOL 670 25.400 24.740 21.900 1.00 0.00 +ATOM 2009 HW1 SOL 670 25.060 25.480 22.400 1.00 0.00 +ATOM 2010 HW2 SOL 670 25.800 24.170 22.560 1.00 0.00 +ATOM 2011 OW SOL 671 1.530 11.390 16.830 1.00 0.00 +ATOM 2012 HW1 SOL 671 2.450 11.130 16.830 1.00 0.00 +ATOM 2013 HW2 SOL 671 1.540 12.330 16.690 1.00 0.00 +ATOM 2014 OW SOL 672 6.660 25.930 15.820 1.00 0.00 +ATOM 2015 HW1 SOL 672 5.880 26.490 15.750 1.00 0.00 +ATOM 2016 HW2 SOL 672 7.400 26.530 15.750 1.00 0.00 +ATOM 2017 OW SOL 673 10.200 23.130 13.720 1.00 0.00 +ATOM 2018 HW1 SOL 673 10.540 23.550 14.510 1.00 0.00 +ATOM 2019 HW2 SOL 673 10.190 22.200 13.930 1.00 0.00 +ATOM 2020 OW SOL 674 20.910 3.820 29.440 1.00 0.00 +ATOM 2021 HW1 SOL 674 21.860 3.860 29.340 1.00 0.00 +ATOM 2022 HW2 SOL 674 20.560 4.140 28.600 1.00 0.00 +ATOM 2023 OW SOL 675 17.070 20.610 18.670 1.00 0.00 +ATOM 2024 HW1 SOL 675 16.890 19.700 18.910 1.00 0.00 +ATOM 2025 HW2 SOL 675 17.900 20.810 19.090 1.00 0.00 +ATOM 2026 OW SOL 676 8.970 24.030 20.060 1.00 0.00 +ATOM 2027 HW1 SOL 676 8.810 24.840 19.580 1.00 0.00 +ATOM 2028 HW2 SOL 676 9.850 23.760 19.790 1.00 0.00 +ATOM 2029 OW SOL 677 20.700 3.320 16.880 1.00 0.00 +ATOM 2030 HW1 SOL 677 20.530 3.790 16.070 1.00 0.00 +ATOM 2031 HW2 SOL 677 21.620 3.070 16.830 1.00 0.00 +ATOM 2032 OW SOL 678 17.350 11.450 26.660 1.00 0.00 +ATOM 2033 HW1 SOL 678 17.960 12.070 26.250 1.00 0.00 +ATOM 2034 HW2 SOL 678 16.720 12.000 27.120 1.00 0.00 +ATOM 2035 OW SOL 679 7.700 27.100 28.880 1.00 0.00 +ATOM 2036 HW1 SOL 679 7.550 27.990 29.200 1.00 0.00 +ATOM 2037 HW2 SOL 679 7.270 26.540 29.530 1.00 0.00 +ATOM 2038 OW SOL 680 10.470 21.900 17.080 1.00 0.00 +ATOM 2039 HW1 SOL 680 10.010 21.170 17.500 1.00 0.00 +ATOM 2040 HW2 SOL 680 11.000 22.280 17.790 1.00 0.00 +ATOM 2041 OW SOL 681 3.620 23.010 2.990 1.00 0.00 +ATOM 2042 HW1 SOL 681 3.440 22.920 2.060 1.00 0.00 +ATOM 2043 HW2 SOL 681 3.780 22.110 3.290 1.00 0.00 +ATOM 2044 OW SOL 682 3.700 29.860 23.360 1.00 0.00 +ATOM 2045 HW1 SOL 682 3.270 30.460 23.970 1.00 0.00 +ATOM 2046 HW2 SOL 682 4.610 29.830 23.650 1.00 0.00 +ATOM 2047 OW SOL 683 0.320 3.990 8.660 1.00 0.00 +ATOM 2048 HW1 SOL 683 -0.280 4.670 8.970 1.00 0.00 +ATOM 2049 HW2 SOL 683 0.510 3.460 9.430 1.00 0.00 +ATOM 2050 OW SOL 684 27.590 16.110 1.950 1.00 0.00 +ATOM 2051 HW1 SOL 684 27.010 15.440 2.310 1.00 0.00 +ATOM 2052 HW2 SOL 684 28.450 15.890 2.310 1.00 0.00 +ATOM 2053 OW SOL 685 17.460 12.480 23.700 1.00 0.00 +ATOM 2054 HW1 SOL 685 17.890 11.670 23.970 1.00 0.00 +ATOM 2055 HW2 SOL 685 17.420 12.410 22.740 1.00 0.00 +ATOM 2056 OW SOL 686 24.340 3.620 7.390 1.00 0.00 +ATOM 2057 HW1 SOL 686 23.400 3.460 7.350 1.00 0.00 +ATOM 2058 HW2 SOL 686 24.730 2.820 7.040 1.00 0.00 +ATOM 2059 OW SOL 687 8.920 16.390 6.460 1.00 0.00 +ATOM 2060 HW1 SOL 687 8.190 15.850 6.140 1.00 0.00 +ATOM 2061 HW2 SOL 687 9.070 17.020 5.760 1.00 0.00 +ATOM 2062 OW SOL 688 19.610 16.350 0.520 1.00 0.00 +ATOM 2063 HW1 SOL 688 19.520 16.610 -0.390 1.00 0.00 +ATOM 2064 HW2 SOL 688 19.150 17.030 1.010 1.00 0.00 +ATOM 2065 OW SOL 689 16.920 24.380 8.710 1.00 0.00 +ATOM 2066 HW1 SOL 689 16.280 24.050 8.070 1.00 0.00 +ATOM 2067 HW2 SOL 689 17.710 23.870 8.550 1.00 0.00 +ATOM 2068 OW SOL 690 26.120 5.650 17.770 1.00 0.00 +ATOM 2069 HW1 SOL 690 26.390 4.740 17.640 1.00 0.00 +ATOM 2070 HW2 SOL 690 26.690 6.160 17.200 1.00 0.00 +ATOM 2071 OW SOL 691 11.890 26.020 18.610 1.00 0.00 +ATOM 2072 HW1 SOL 691 12.700 25.800 19.060 1.00 0.00 +ATOM 2073 HW2 SOL 691 11.220 26.040 19.290 1.00 0.00 +ATOM 2074 OW SOL 692 9.110 3.430 12.800 1.00 0.00 +ATOM 2075 HW1 SOL 692 8.780 2.530 12.720 1.00 0.00 +ATOM 2076 HW2 SOL 692 9.980 3.400 12.410 1.00 0.00 +ATOM 2077 OW SOL 693 3.930 26.220 1.820 1.00 0.00 +ATOM 2078 HW1 SOL 693 3.450 26.080 1.010 1.00 0.00 +ATOM 2079 HW2 SOL 693 3.720 27.110 2.090 1.00 0.00 +ATOM 2080 OW SOL 694 23.020 26.590 15.100 1.00 0.00 +ATOM 2081 HW1 SOL 694 22.520 26.340 15.870 1.00 0.00 +ATOM 2082 HW2 SOL 694 22.370 26.650 14.400 1.00 0.00 +ATOM 2083 OW SOL 695 0.360 14.770 30.280 1.00 0.00 +ATOM 2084 HW1 SOL 695 -0.060 13.960 30.580 1.00 0.00 +ATOM 2085 HW2 SOL 695 0.290 14.740 29.320 1.00 0.00 +ATOM 2086 OW SOL 696 2.780 27.360 24.770 1.00 0.00 +ATOM 2087 HW1 SOL 696 3.600 27.080 24.370 1.00 0.00 +ATOM 2088 HW2 SOL 696 3.010 28.160 25.260 1.00 0.00 +ATOM 2089 OW SOL 697 14.970 20.670 23.910 1.00 0.00 +ATOM 2090 HW1 SOL 697 15.230 21.600 23.940 1.00 0.00 +ATOM 2091 HW2 SOL 697 15.680 20.240 23.430 1.00 0.00 +ATOM 2092 OW SOL 698 3.760 28.680 2.220 1.00 0.00 +ATOM 2093 HW1 SOL 698 3.980 29.420 1.640 1.00 0.00 +ATOM 2094 HW2 SOL 698 3.240 29.070 2.920 1.00 0.00 +ATOM 2095 OW SOL 699 11.040 5.500 14.580 1.00 0.00 +ATOM 2096 HW1 SOL 699 10.120 5.440 14.850 1.00 0.00 +ATOM 2097 HW2 SOL 699 11.020 6.040 13.790 1.00 0.00 +ATOM 2098 OW SOL 700 20.060 8.400 6.170 1.00 0.00 +ATOM 2099 HW1 SOL 700 20.490 8.710 6.970 1.00 0.00 +ATOM 2100 HW2 SOL 700 20.410 8.970 5.480 1.00 0.00 +ATOM 2101 OW SOL 701 19.000 29.530 15.310 1.00 0.00 +ATOM 2102 HW1 SOL 701 19.090 30.060 16.100 1.00 0.00 +ATOM 2103 HW2 SOL 701 18.060 29.360 15.240 1.00 0.00 +ATOM 2104 OW SOL 702 20.620 25.800 23.280 1.00 0.00 +ATOM 2105 HW1 SOL 702 20.240 25.800 24.160 1.00 0.00 +ATOM 2106 HW2 SOL 702 20.060 25.220 22.770 1.00 0.00 +ATOM 2107 OW SOL 703 19.110 0.880 17.680 1.00 0.00 +ATOM 2108 HW1 SOL 703 19.400 0.520 18.520 1.00 0.00 +ATOM 2109 HW2 SOL 703 19.770 1.530 17.460 1.00 0.00 +ATOM 2110 OW SOL 704 8.440 24.510 11.870 1.00 0.00 +ATOM 2111 HW1 SOL 704 7.700 23.980 12.180 1.00 0.00 +ATOM 2112 HW2 SOL 704 9.220 24.020 12.160 1.00 0.00 +ATOM 2113 OW SOL 705 27.390 28.310 26.120 1.00 0.00 +ATOM 2114 HW1 SOL 705 28.210 28.140 26.580 1.00 0.00 +ATOM 2115 HW2 SOL 705 27.360 27.640 25.440 1.00 0.00 +ATOM 2116 OW SOL 706 12.180 27.500 0.510 1.00 0.00 +ATOM 2117 HW1 SOL 706 11.460 27.260 -0.070 1.00 0.00 +ATOM 2118 HW2 SOL 706 11.770 27.960 1.240 1.00 0.00 +ATOM 2119 OW SOL 707 2.660 10.780 13.080 1.00 0.00 +ATOM 2120 HW1 SOL 707 3.010 11.490 13.620 1.00 0.00 +ATOM 2121 HW2 SOL 707 2.630 10.030 13.670 1.00 0.00 +ATOM 2122 OW SOL 708 27.210 14.660 24.500 1.00 0.00 +ATOM 2123 HW1 SOL 708 26.830 15.500 24.740 1.00 0.00 +ATOM 2124 HW2 SOL 708 27.190 14.140 25.300 1.00 0.00 +ATOM 2125 OW SOL 709 30.060 19.400 22.520 1.00 0.00 +ATOM 2126 HW1 SOL 709 29.220 19.520 22.080 1.00 0.00 +ATOM 2127 HW2 SOL 709 30.710 19.460 21.820 1.00 0.00 +ATOM 2128 OW SOL 710 23.540 7.240 13.160 1.00 0.00 +ATOM 2129 HW1 SOL 710 22.830 6.710 12.780 1.00 0.00 +ATOM 2130 HW2 SOL 710 23.130 7.740 13.850 1.00 0.00 +ATOM 2131 OW SOL 711 14.720 24.650 28.120 1.00 0.00 +ATOM 2132 HW1 SOL 711 14.380 25.330 27.540 1.00 0.00 +ATOM 2133 HW2 SOL 711 14.200 23.880 27.910 1.00 0.00 +ATOM 2134 OW SOL 712 17.910 15.910 11.410 1.00 0.00 +ATOM 2135 HW1 SOL 712 17.380 16.610 11.060 1.00 0.00 +ATOM 2136 HW2 SOL 712 18.770 16.020 10.990 1.00 0.00 +ATOM 2137 OW SOL 713 4.020 10.910 27.580 1.00 0.00 +ATOM 2138 HW1 SOL 713 3.820 10.330 28.310 1.00 0.00 +ATOM 2139 HW2 SOL 713 3.570 11.730 27.790 1.00 0.00 +ATOM 2140 OW SOL 714 14.150 14.140 15.680 1.00 0.00 +ATOM 2141 HW1 SOL 714 13.760 14.270 14.810 1.00 0.00 +ATOM 2142 HW2 SOL 714 13.490 14.480 16.290 1.00 0.00 +ATOM 2143 OW SOL 715 27.760 15.290 11.790 1.00 0.00 +ATOM 2144 HW1 SOL 715 28.630 15.030 11.510 1.00 0.00 +ATOM 2145 HW2 SOL 715 27.360 15.670 11.000 1.00 0.00 +ATOM 2146 OW SOL 716 16.320 29.880 14.580 1.00 0.00 +ATOM 2147 HW1 SOL 716 15.800 29.380 13.960 1.00 0.00 +ATOM 2148 HW2 SOL 716 16.070 30.790 14.430 1.00 0.00 +ATOM 2149 OW SOL 717 26.150 5.640 7.900 1.00 0.00 +ATOM 2150 HW1 SOL 717 25.470 5.120 7.480 1.00 0.00 +ATOM 2151 HW2 SOL 717 25.990 6.530 7.610 1.00 0.00 +ATOM 2152 OW SOL 718 28.790 15.870 18.000 1.00 0.00 +ATOM 2153 HW1 SOL 718 29.240 15.550 17.220 1.00 0.00 +ATOM 2154 HW2 SOL 718 28.810 15.130 18.610 1.00 0.00 +ATOM 2155 OW SOL 719 0.260 16.580 27.240 1.00 0.00 +ATOM 2156 HW1 SOL 719 -0.360 17.310 27.220 1.00 0.00 +ATOM 2157 HW2 SOL 719 1.080 16.940 26.900 1.00 0.00 +ATOM 2158 OW SOL 720 20.910 5.610 14.890 1.00 0.00 +ATOM 2159 HW1 SOL 720 21.450 6.280 15.310 1.00 0.00 +ATOM 2160 HW2 SOL 720 20.010 5.940 14.980 1.00 0.00 +ATOM 2161 OW SOL 721 11.420 27.750 6.850 1.00 0.00 +ATOM 2162 HW1 SOL 721 11.560 26.800 6.900 1.00 0.00 +ATOM 2163 HW2 SOL 721 11.950 28.030 6.110 1.00 0.00 +ATOM 2164 OW SOL 722 12.710 13.850 26.530 1.00 0.00 +ATOM 2165 HW1 SOL 722 12.400 13.430 25.730 1.00 0.00 +ATOM 2166 HW2 SOL 722 13.600 14.150 26.310 1.00 0.00 +ATOM 2167 OW SOL 723 14.900 30.240 27.000 1.00 0.00 +ATOM 2168 HW1 SOL 723 14.510 29.800 26.250 1.00 0.00 +ATOM 2169 HW2 SOL 723 14.580 29.760 27.760 1.00 0.00 +ATOM 2170 OW SOL 724 6.700 5.910 0.960 1.00 0.00 +ATOM 2171 HW1 SOL 724 6.100 5.360 0.460 1.00 0.00 +ATOM 2172 HW2 SOL 724 7.280 6.290 0.300 1.00 0.00 +ATOM 2173 OW SOL 725 29.100 0.830 26.450 1.00 0.00 +ATOM 2174 HW1 SOL 725 28.590 0.020 26.400 1.00 0.00 +ATOM 2175 HW2 SOL 725 29.750 0.670 27.130 1.00 0.00 +ATOM 2176 OW SOL 726 13.970 11.180 15.710 1.00 0.00 +ATOM 2177 HW1 SOL 726 14.020 12.140 15.810 1.00 0.00 +ATOM 2178 HW2 SOL 726 13.230 10.930 16.260 1.00 0.00 +ATOM 2179 OW SOL 727 27.350 7.230 23.710 1.00 0.00 +ATOM 2180 HW1 SOL 727 27.730 6.350 23.720 1.00 0.00 +ATOM 2181 HW2 SOL 727 27.610 7.580 22.850 1.00 0.00 +ATOM 2182 OW SOL 728 14.510 4.950 1.730 1.00 0.00 +ATOM 2183 HW1 SOL 728 15.170 4.250 1.760 1.00 0.00 +ATOM 2184 HW2 SOL 728 14.950 5.710 2.120 1.00 0.00 +ATOM 2185 OW SOL 729 28.770 12.260 29.220 1.00 0.00 +ATOM 2186 HW1 SOL 729 28.780 11.400 28.790 1.00 0.00 +ATOM 2187 HW2 SOL 729 28.910 12.890 28.520 1.00 0.00 +ATOM 2188 OW SOL 730 25.310 25.330 26.090 1.00 0.00 +ATOM 2189 HW1 SOL 730 24.840 25.460 25.260 1.00 0.00 +ATOM 2190 HW2 SOL 730 24.660 25.520 26.760 1.00 0.00 +ATOM 2191 OW SOL 731 25.170 1.460 5.510 1.00 0.00 +ATOM 2192 HW1 SOL 731 25.360 1.540 4.580 1.00 0.00 +ATOM 2193 HW2 SOL 731 25.680 0.700 5.800 1.00 0.00 +ATOM 2194 OW SOL 732 8.580 4.710 20.120 1.00 0.00 +ATOM 2195 HW1 SOL 732 8.070 5.220 19.490 1.00 0.00 +ATOM 2196 HW2 SOL 732 9.460 4.680 19.750 1.00 0.00 +ATOM 2197 OW SOL 733 5.930 10.220 26.110 1.00 0.00 +ATOM 2198 HW1 SOL 733 5.110 10.470 26.550 1.00 0.00 +ATOM 2199 HW2 SOL 733 6.610 10.390 26.760 1.00 0.00 +ATOM 2200 OW SOL 734 17.390 29.430 20.090 1.00 0.00 +ATOM 2201 HW1 SOL 734 16.890 29.010 19.390 1.00 0.00 +ATOM 2202 HW2 SOL 734 17.750 28.690 20.590 1.00 0.00 +ATOM 2203 OW SOL 735 21.730 10.330 4.090 1.00 0.00 +ATOM 2204 HW1 SOL 735 21.450 11.070 3.540 1.00 0.00 +ATOM 2205 HW2 SOL 735 22.560 10.610 4.470 1.00 0.00 +ATOM 2206 OW SOL 736 12.420 29.350 26.460 1.00 0.00 +ATOM 2207 HW1 SOL 736 12.570 28.830 27.240 1.00 0.00 +ATOM 2208 HW2 SOL 736 11.860 28.800 25.900 1.00 0.00 +ATOM 2209 OW SOL 737 0.070 30.190 28.770 1.00 0.00 +ATOM 2210 HW1 SOL 737 -0.380 29.350 28.710 1.00 0.00 +ATOM 2211 HW2 SOL 737 0.970 29.960 29.030 1.00 0.00 +ATOM 2212 OW SOL 738 7.350 14.050 1.720 1.00 0.00 +ATOM 2213 HW1 SOL 738 6.980 13.200 1.510 1.00 0.00 +ATOM 2214 HW2 SOL 738 8.200 13.860 2.120 1.00 0.00 +ATOM 2215 OW SOL 739 10.430 11.100 27.320 1.00 0.00 +ATOM 2216 HW1 SOL 739 9.990 11.890 27.000 1.00 0.00 +ATOM 2217 HW2 SOL 739 11.330 11.370 27.460 1.00 0.00 +ATOM 2218 OW SOL 740 19.720 17.360 18.310 1.00 0.00 +ATOM 2219 HW1 SOL 740 20.090 17.020 17.490 1.00 0.00 +ATOM 2220 HW2 SOL 740 19.980 16.730 18.980 1.00 0.00 +ATOM 2221 OW SOL 741 27.050 7.120 20.010 1.00 0.00 +ATOM 2222 HW1 SOL 741 27.170 7.760 19.310 1.00 0.00 +ATOM 2223 HW2 SOL 741 26.880 6.300 19.560 1.00 0.00 +ATOM 2224 OW SOL 742 0.970 7.540 22.870 1.00 0.00 +ATOM 2225 HW1 SOL 742 0.950 6.620 23.140 1.00 0.00 +ATOM 2226 HW2 SOL 742 0.560 7.550 22.010 1.00 0.00 +ATOM 2227 OW SOL 743 5.610 7.300 27.370 1.00 0.00 +ATOM 2228 HW1 SOL 743 5.160 7.870 26.750 1.00 0.00 +ATOM 2229 HW2 SOL 743 5.420 6.410 27.060 1.00 0.00 +ATOM 2230 OW SOL 744 6.920 22.800 21.350 1.00 0.00 +ATOM 2231 HW1 SOL 744 6.380 22.560 20.600 1.00 0.00 +ATOM 2232 HW2 SOL 744 7.600 23.370 20.980 1.00 0.00 +ATOM 2233 OW SOL 745 0.910 21.420 24.260 1.00 0.00 +ATOM 2234 HW1 SOL 745 0.170 21.720 24.790 1.00 0.00 +ATOM 2235 HW2 SOL 745 0.560 20.680 23.760 1.00 0.00 +ATOM 2236 OW SOL 746 1.230 8.290 13.240 1.00 0.00 +ATOM 2237 HW1 SOL 746 0.390 8.550 13.610 1.00 0.00 +ATOM 2238 HW2 SOL 746 1.540 7.590 13.810 1.00 0.00 +ATOM 2239 OW SOL 747 11.470 22.590 5.270 1.00 0.00 +ATOM 2240 HW1 SOL 747 11.650 22.060 4.490 1.00 0.00 +ATOM 2241 HW2 SOL 747 12.280 22.540 5.770 1.00 0.00 +ATOM 2242 OW SOL 748 17.220 11.890 21.150 1.00 0.00 +ATOM 2243 HW1 SOL 748 16.860 12.300 20.360 1.00 0.00 +ATOM 2244 HW2 SOL 748 16.910 10.990 21.120 1.00 0.00 +ATOM 2245 OW SOL 749 14.440 21.520 1.020 1.00 0.00 +ATOM 2246 HW1 SOL 749 14.600 21.960 1.850 1.00 0.00 +ATOM 2247 HW2 SOL 749 13.870 22.110 0.530 1.00 0.00 +ATOM 2248 OW SOL 750 25.110 11.830 23.770 1.00 0.00 +ATOM 2249 HW1 SOL 750 24.620 11.020 23.810 1.00 0.00 +ATOM 2250 HW2 SOL 750 25.170 12.120 24.680 1.00 0.00 +ATOM 2251 OW SOL 751 12.760 4.510 26.650 1.00 0.00 +ATOM 2252 HW1 SOL 751 12.660 3.620 26.330 1.00 0.00 +ATOM 2253 HW2 SOL 751 12.430 4.490 27.550 1.00 0.00 +ATOM 2254 OW SOL 752 17.230 19.250 15.440 1.00 0.00 +ATOM 2255 HW1 SOL 752 16.930 19.500 16.320 1.00 0.00 +ATOM 2256 HW2 SOL 752 16.830 18.400 15.290 1.00 0.00 +ATOM 2257 OW SOL 753 13.750 1.940 18.200 1.00 0.00 +ATOM 2258 HW1 SOL 753 13.260 1.320 17.660 1.00 0.00 +ATOM 2259 HW2 SOL 753 14.650 1.610 18.180 1.00 0.00 +ATOM 2260 OW SOL 754 14.320 29.980 1.680 1.00 0.00 +ATOM 2261 HW1 SOL 754 13.510 30.360 2.030 1.00 0.00 +ATOM 2262 HW2 SOL 754 14.180 29.950 0.730 1.00 0.00 +ATOM 2263 OW SOL 755 12.390 5.950 21.700 1.00 0.00 +ATOM 2264 HW1 SOL 755 12.030 6.530 21.030 1.00 0.00 +ATOM 2265 HW2 SOL 755 12.700 5.190 21.210 1.00 0.00 +ATOM 2266 OW SOL 756 19.350 14.220 7.490 1.00 0.00 +ATOM 2267 HW1 SOL 756 20.030 14.660 6.970 1.00 0.00 +ATOM 2268 HW2 SOL 756 18.570 14.760 7.360 1.00 0.00 +ATOM 2269 OW SOL 757 28.020 4.470 22.230 1.00 0.00 +ATOM 2270 HW1 SOL 757 28.660 3.860 22.600 1.00 0.00 +ATOM 2271 HW2 SOL 757 28.280 4.570 21.320 1.00 0.00 +ATOM 2272 OW SOL 758 2.390 15.490 24.850 1.00 0.00 +ATOM 2273 HW1 SOL 758 2.480 16.220 24.230 1.00 0.00 +ATOM 2274 HW2 SOL 758 1.590 15.040 24.570 1.00 0.00 +ATOM 2275 OW SOL 759 2.230 0.740 13.710 1.00 0.00 +ATOM 2276 HW1 SOL 759 1.300 0.960 13.650 1.00 0.00 +ATOM 2277 HW2 SOL 759 2.270 -0.200 13.600 1.00 0.00 +ATOM 2278 OW SOL 760 19.630 23.190 7.000 1.00 0.00 +ATOM 2279 HW1 SOL 760 20.580 23.230 7.090 1.00 0.00 +ATOM 2280 HW2 SOL 760 19.410 23.900 6.400 1.00 0.00 +ATOM 2281 OW SOL 761 18.810 6.920 28.140 1.00 0.00 +ATOM 2282 HW1 SOL 761 19.560 7.520 28.090 1.00 0.00 +ATOM 2283 HW2 SOL 761 19.200 6.060 28.250 1.00 0.00 +ATOM 2284 OW SOL 762 27.270 12.150 1.130 1.00 0.00 +ATOM 2285 HW1 SOL 762 27.340 11.220 1.330 1.00 0.00 +ATOM 2286 HW2 SOL 762 27.750 12.260 0.310 1.00 0.00 +ATOM 2287 OW SOL 763 2.320 20.040 20.590 1.00 0.00 +ATOM 2288 HW1 SOL 763 2.860 20.100 19.800 1.00 0.00 +ATOM 2289 HW2 SOL 763 1.960 20.920 20.710 1.00 0.00 +ATOM 2290 OW SOL 764 6.170 17.800 24.690 1.00 0.00 +ATOM 2291 HW1 SOL 764 5.710 18.160 23.930 1.00 0.00 +ATOM 2292 HW2 SOL 764 5.710 18.160 25.440 1.00 0.00 +ATOM 2293 OW SOL 765 24.530 19.630 23.760 1.00 0.00 +ATOM 2294 HW1 SOL 765 25.380 19.300 24.030 1.00 0.00 +ATOM 2295 HW2 SOL 765 24.700 20.540 23.500 1.00 0.00 +ATOM 2296 OW SOL 766 2.850 7.840 1.750 1.00 0.00 +ATOM 2297 HW1 SOL 766 3.560 8.140 2.330 1.00 0.00 +ATOM 2298 HW2 SOL 766 2.060 8.230 2.120 1.00 0.00 +ATOM 2299 OW SOL 767 26.930 22.790 10.360 1.00 0.00 +ATOM 2300 HW1 SOL 767 26.240 22.270 10.760 1.00 0.00 +ATOM 2301 HW2 SOL 767 26.880 23.640 10.790 1.00 0.00 +ATOM 2302 OW SOL 768 27.710 27.000 8.100 1.00 0.00 +ATOM 2303 HW1 SOL 768 28.660 26.910 8.030 1.00 0.00 +ATOM 2304 HW2 SOL 768 27.370 26.140 7.850 1.00 0.00 +ATOM 2305 OW SOL 769 16.500 7.410 8.110 1.00 0.00 +ATOM 2306 HW1 SOL 769 17.070 8.160 7.960 1.00 0.00 +ATOM 2307 HW2 SOL 769 16.110 7.570 8.970 1.00 0.00 +ATOM 2308 OW SOL 770 26.160 17.180 25.270 1.00 0.00 +ATOM 2309 HW1 SOL 770 26.980 17.630 25.460 1.00 0.00 +ATOM 2310 HW2 SOL 770 26.040 17.270 24.330 1.00 0.00 +ATOM 2311 OW SOL 771 28.560 19.180 2.190 1.00 0.00 +ATOM 2312 HW1 SOL 771 28.050 18.390 2.370 1.00 0.00 +ATOM 2313 HW2 SOL 771 29.220 18.910 1.560 1.00 0.00 +ATOM 2314 OW SOL 772 7.100 17.260 19.670 1.00 0.00 +ATOM 2315 HW1 SOL 772 7.850 16.960 19.170 1.00 0.00 +ATOM 2316 HW2 SOL 772 6.910 18.130 19.330 1.00 0.00 +ATOM 2317 OW SOL 773 27.920 25.180 11.470 1.00 0.00 +ATOM 2318 HW1 SOL 773 28.420 25.100 10.660 1.00 0.00 +ATOM 2319 HW2 SOL 773 27.340 25.920 11.320 1.00 0.00 +ATOM 2320 OW SOL 774 10.600 22.230 28.530 1.00 0.00 +ATOM 2321 HW1 SOL 774 10.580 21.400 29.010 1.00 0.00 +ATOM 2322 HW2 SOL 774 9.680 22.390 28.300 1.00 0.00 +ATOM 2323 OW SOL 775 18.410 26.200 25.060 1.00 0.00 +ATOM 2324 HW1 SOL 775 18.060 26.860 24.470 1.00 0.00 +ATOM 2325 HW2 SOL 775 18.730 26.700 25.810 1.00 0.00 +ATOM 2326 OW SOL 776 2.400 12.050 20.310 1.00 0.00 +ATOM 2327 HW1 SOL 776 1.650 11.630 19.880 1.00 0.00 +ATOM 2328 HW2 SOL 776 2.060 12.330 21.160 1.00 0.00 +ATOM 2329 OW SOL 777 24.750 4.080 13.840 1.00 0.00 +ATOM 2330 HW1 SOL 777 25.090 4.570 13.090 1.00 0.00 +ATOM 2331 HW2 SOL 777 25.460 3.490 14.080 1.00 0.00 +ATOM 2332 OW SOL 778 6.590 17.340 7.770 1.00 0.00 +ATOM 2333 HW1 SOL 778 6.580 18.230 8.140 1.00 0.00 +ATOM 2334 HW2 SOL 778 7.410 17.300 7.270 1.00 0.00 +ATOM 2335 OW SOL 779 21.420 7.990 24.360 1.00 0.00 +ATOM 2336 HW1 SOL 779 21.420 7.680 25.270 1.00 0.00 +ATOM 2337 HW2 SOL 779 21.130 7.230 23.850 1.00 0.00 +ATOM 2338 OW SOL 780 5.910 22.510 9.460 1.00 0.00 +ATOM 2339 HW1 SOL 780 5.460 21.790 9.030 1.00 0.00 +ATOM 2340 HW2 SOL 780 5.210 23.010 9.890 1.00 0.00 +ATOM 2341 OW SOL 781 29.830 1.550 13.560 1.00 0.00 +ATOM 2342 HW1 SOL 781 29.210 1.000 13.090 1.00 0.00 +ATOM 2343 HW2 SOL 781 29.460 1.630 14.440 1.00 0.00 +ATOM 2344 OW SOL 782 28.570 7.320 6.330 1.00 0.00 +ATOM 2345 HW1 SOL 782 29.220 7.940 6.010 1.00 0.00 +ATOM 2346 HW2 SOL 782 28.660 7.350 7.290 1.00 0.00 +ATOM 2347 OW SOL 783 3.170 13.520 29.050 1.00 0.00 +ATOM 2348 HW1 SOL 783 4.050 13.160 28.890 1.00 0.00 +ATOM 2349 HW2 SOL 783 3.290 14.110 29.790 1.00 0.00 +ATOM 2350 OW SOL 784 10.100 0.260 16.300 1.00 0.00 +ATOM 2351 HW1 SOL 784 9.690 0.350 15.430 1.00 0.00 +ATOM 2352 HW2 SOL 784 10.390 1.150 16.520 1.00 0.00 +ATOM 2353 OW SOL 785 13.240 10.200 7.640 1.00 0.00 +ATOM 2354 HW1 SOL 785 12.410 10.530 7.980 1.00 0.00 +ATOM 2355 HW2 SOL 785 13.120 10.170 6.690 1.00 0.00 +ATOM 2356 OW SOL 786 25.740 9.190 4.130 1.00 0.00 +ATOM 2357 HW1 SOL 786 26.340 9.310 3.390 1.00 0.00 +ATOM 2358 HW2 SOL 786 25.370 8.320 3.990 1.00 0.00 +ATOM 2359 OW SOL 787 28.420 13.100 8.900 1.00 0.00 +ATOM 2360 HW1 SOL 787 28.970 12.340 8.710 1.00 0.00 +ATOM 2361 HW2 SOL 787 27.670 13.000 8.310 1.00 0.00 +ATOM 2362 OW SOL 788 28.560 17.120 14.820 1.00 0.00 +ATOM 2363 HW1 SOL 788 29.070 17.340 14.050 1.00 0.00 +ATOM 2364 HW2 SOL 788 29.060 17.470 15.560 1.00 0.00 +ATOM 2365 OW SOL 789 26.070 0.370 22.510 1.00 0.00 +ATOM 2366 HW1 SOL 789 26.120 1.030 23.200 1.00 0.00 +ATOM 2367 HW2 SOL 789 26.980 0.110 22.350 1.00 0.00 +ATOM 2368 OW SOL 790 5.280 26.340 27.170 1.00 0.00 +ATOM 2369 HW1 SOL 790 6.170 26.650 27.050 1.00 0.00 +ATOM 2370 HW2 SOL 790 4.810 27.070 27.550 1.00 0.00 +ATOM 2371 OW SOL 791 29.010 21.730 1.270 1.00 0.00 +ATOM 2372 HW1 SOL 791 28.880 22.330 2.000 1.00 0.00 +ATOM 2373 HW2 SOL 791 29.080 20.860 1.670 1.00 0.00 +ATOM 2374 OW SOL 792 12.580 6.030 10.050 1.00 0.00 +ATOM 2375 HW1 SOL 792 12.920 5.830 9.180 1.00 0.00 +ATOM 2376 HW2 SOL 792 13.120 6.740 10.370 1.00 0.00 +ATOM 2377 OW SOL 793 2.600 14.190 11.140 1.00 0.00 +ATOM 2378 HW1 SOL 793 2.560 14.920 11.760 1.00 0.00 +ATOM 2379 HW2 SOL 793 1.840 14.310 10.580 1.00 0.00 +ATOM 2380 OW SOL 794 20.730 9.970 20.400 1.00 0.00 +ATOM 2381 HW1 SOL 794 19.980 9.580 20.850 1.00 0.00 +ATOM 2382 HW2 SOL 794 21.240 9.210 20.090 1.00 0.00 +ATOM 2383 OW SOL 795 25.320 7.370 1.310 1.00 0.00 +ATOM 2384 HW1 SOL 795 25.720 6.500 1.280 1.00 0.00 +ATOM 2385 HW2 SOL 795 24.720 7.400 0.560 1.00 0.00 +ATOM 2386 OW SOL 796 10.530 26.310 25.980 1.00 0.00 +ATOM 2387 HW1 SOL 796 11.070 25.860 25.330 1.00 0.00 +ATOM 2388 HW2 SOL 796 9.710 25.820 25.990 1.00 0.00 +ATOM 2389 OW SOL 797 17.590 5.270 14.890 1.00 0.00 +ATOM 2390 HW1 SOL 797 17.130 6.100 14.720 1.00 0.00 +ATOM 2391 HW2 SOL 797 17.690 5.240 15.840 1.00 0.00 +ATOM 2392 OW SOL 798 14.840 24.910 11.060 1.00 0.00 +ATOM 2393 HW1 SOL 798 14.920 24.160 10.460 1.00 0.00 +ATOM 2394 HW2 SOL 798 15.150 25.650 10.540 1.00 0.00 +ATOM 2395 OW SOL 799 4.800 18.380 16.450 1.00 0.00 +ATOM 2396 HW1 SOL 799 5.320 18.350 15.650 1.00 0.00 +ATOM 2397 HW2 SOL 799 5.440 18.440 17.150 1.00 0.00 +ATOM 2398 OW SOL 800 24.280 24.820 13.170 1.00 0.00 +ATOM 2399 HW1 SOL 800 24.550 24.020 13.610 1.00 0.00 +ATOM 2400 HW2 SOL 800 24.070 25.420 13.890 1.00 0.00 +ATOM 2401 OW SOL 801 29.370 19.310 26.830 1.00 0.00 +ATOM 2402 HW1 SOL 801 29.240 20.250 26.690 1.00 0.00 +ATOM 2403 HW2 SOL 801 28.970 19.150 27.690 1.00 0.00 +ATOM 2404 OW SOL 802 27.560 3.020 6.580 1.00 0.00 +ATOM 2405 HW1 SOL 802 27.330 3.620 7.290 1.00 0.00 +ATOM 2406 HW2 SOL 802 26.970 2.270 6.700 1.00 0.00 +ATOM 2407 OW SOL 803 21.430 7.990 27.940 1.00 0.00 +ATOM 2408 HW1 SOL 803 22.130 7.390 27.690 1.00 0.00 +ATOM 2409 HW2 SOL 803 21.490 8.040 28.900 1.00 0.00 +ATOM 2410 OW SOL 804 27.000 14.470 27.400 1.00 0.00 +ATOM 2411 HW1 SOL 804 26.510 14.910 28.100 1.00 0.00 +ATOM 2412 HW2 SOL 804 27.910 14.500 27.700 1.00 0.00 +ATOM 2413 OW SOL 805 6.910 16.670 2.670 1.00 0.00 +ATOM 2414 HW1 SOL 805 6.960 15.800 2.270 1.00 0.00 +ATOM 2415 HW2 SOL 805 6.750 16.510 3.590 1.00 0.00 +ATOM 2416 OW SOL 806 14.170 21.940 9.050 1.00 0.00 +ATOM 2417 HW1 SOL 806 14.230 22.880 8.880 1.00 0.00 +ATOM 2418 HW2 SOL 806 13.240 21.750 9.040 1.00 0.00 +ATOM 2419 OW SOL 807 24.920 15.650 21.910 1.00 0.00 +ATOM 2420 HW1 SOL 807 25.460 14.900 22.180 1.00 0.00 +ATOM 2421 HW2 SOL 807 25.370 16.410 22.280 1.00 0.00 +ATOM 2422 OW SOL 808 29.140 19.360 5.110 1.00 0.00 +ATOM 2423 HW1 SOL 808 28.580 19.650 4.390 1.00 0.00 +ATOM 2424 HW2 SOL 808 30.030 19.430 4.780 1.00 0.00 +ATOM 2425 OW SOL 809 10.300 0.380 30.270 1.00 0.00 +ATOM 2426 HW1 SOL 809 9.760 -0.410 30.340 1.00 0.00 +ATOM 2427 HW2 SOL 809 9.950 0.850 29.520 1.00 0.00 +ATOM 2428 OW SOL 810 15.550 2.730 27.590 1.00 0.00 +ATOM 2429 HW1 SOL 810 15.420 1.830 27.320 1.00 0.00 +ATOM 2430 HW2 SOL 810 15.260 3.250 26.840 1.00 0.00 +ATOM 2431 OW SOL 811 0.890 3.020 -0.100 1.00 0.00 +ATOM 2432 HW1 SOL 811 0.450 2.260 0.270 1.00 0.00 +ATOM 2433 HW2 SOL 811 0.820 3.690 0.580 1.00 0.00 +ATOM 2434 OW SOL 812 18.280 9.670 8.900 1.00 0.00 +ATOM 2435 HW1 SOL 812 18.920 10.360 9.070 1.00 0.00 +ATOM 2436 HW2 SOL 812 17.720 10.020 8.210 1.00 0.00 +ATOM 2437 OW SOL 813 28.910 4.060 18.270 1.00 0.00 +ATOM 2438 HW1 SOL 813 29.260 4.760 18.830 1.00 0.00 +ATOM 2439 HW2 SOL 813 29.110 3.260 18.740 1.00 0.00 +ATOM 2440 OW SOL 814 9.580 20.810 8.330 1.00 0.00 +ATOM 2441 HW1 SOL 814 9.210 21.680 8.490 1.00 0.00 +ATOM 2442 HW2 SOL 814 8.990 20.410 7.700 1.00 0.00 +ATOM 2443 OW SOL 815 19.200 2.430 10.650 1.00 0.00 +ATOM 2444 HW1 SOL 815 19.070 3.310 11.020 1.00 0.00 +ATOM 2445 HW2 SOL 815 18.930 1.840 11.350 1.00 0.00 +ATOM 2446 OW SOL 816 8.240 19.920 16.400 1.00 0.00 +ATOM 2447 HW1 SOL 816 7.970 20.520 15.710 1.00 0.00 +ATOM 2448 HW2 SOL 816 8.960 19.420 16.020 1.00 0.00 +ATOM 2449 OW SOL 817 22.010 19.160 15.370 1.00 0.00 +ATOM 2450 HW1 SOL 817 21.740 18.280 15.650 1.00 0.00 +ATOM 2451 HW2 SOL 817 22.930 19.220 15.660 1.00 0.00 +ATOM 2452 OW SOL 818 5.120 4.880 26.370 1.00 0.00 +ATOM 2453 HW1 SOL 818 4.950 4.040 26.800 1.00 0.00 +ATOM 2454 HW2 SOL 818 5.010 4.690 25.440 1.00 0.00 +ATOM 2455 OW SOL 819 24.830 29.250 9.760 1.00 0.00 +ATOM 2456 HW1 SOL 819 23.880 29.200 9.910 1.00 0.00 +ATOM 2457 HW2 SOL 819 25.160 29.790 10.480 1.00 0.00 +ATOM 2458 OW SOL 820 26.420 24.060 7.900 1.00 0.00 +ATOM 2459 HW1 SOL 820 26.650 23.640 8.730 1.00 0.00 +ATOM 2460 HW2 SOL 820 25.560 24.450 8.060 1.00 0.00 +ATOM 2461 OW SOL 821 3.130 8.720 17.380 1.00 0.00 +ATOM 2462 HW1 SOL 821 2.260 8.780 17.770 1.00 0.00 +ATOM 2463 HW2 SOL 821 3.040 8.050 16.700 1.00 0.00 +ATOM 2464 OW SOL 822 16.660 20.140 8.710 1.00 0.00 +ATOM 2465 HW1 SOL 822 15.890 20.710 8.690 1.00 0.00 +ATOM 2466 HW2 SOL 822 17.130 20.340 7.900 1.00 0.00 +ATOM 2467 OW SOL 823 5.520 7.970 18.990 1.00 0.00 +ATOM 2468 HW1 SOL 823 5.200 8.060 19.890 1.00 0.00 +ATOM 2469 HW2 SOL 823 4.810 8.310 18.450 1.00 0.00 +ATOM 2470 OW SOL 824 9.960 28.840 18.360 1.00 0.00 +ATOM 2471 HW1 SOL 824 10.010 29.140 17.460 1.00 0.00 +ATOM 2472 HW2 SOL 824 10.250 29.580 18.880 1.00 0.00 +ATOM 2473 OW SOL 825 22.390 12.050 20.590 1.00 0.00 +ATOM 2474 HW1 SOL 825 21.700 11.400 20.450 1.00 0.00 +ATOM 2475 HW2 SOL 825 23.210 11.560 20.510 1.00 0.00 +ATOM 2476 OW SOL 826 16.730 20.230 28.950 1.00 0.00 +ATOM 2477 HW1 SOL 826 16.580 20.750 28.170 1.00 0.00 +ATOM 2478 HW2 SOL 826 16.120 20.590 29.600 1.00 0.00 +ATOM 2479 OW SOL 827 24.430 5.760 5.500 1.00 0.00 +ATOM 2480 HW1 SOL 827 23.590 5.980 5.910 1.00 0.00 +ATOM 2481 HW2 SOL 827 24.330 4.850 5.220 1.00 0.00 +ATOM 2482 OW SOL 828 5.100 15.050 21.910 1.00 0.00 +ATOM 2483 HW1 SOL 828 5.270 14.710 22.790 1.00 0.00 +ATOM 2484 HW2 SOL 828 4.160 15.260 21.910 1.00 0.00 +ATOM 2485 OW SOL 829 1.430 1.500 18.620 1.00 0.00 +ATOM 2486 HW1 SOL 829 1.700 2.190 18.020 1.00 0.00 +ATOM 2487 HW2 SOL 829 1.950 1.640 19.410 1.00 0.00 +ATOM 2488 OW SOL 830 4.470 13.670 25.790 1.00 0.00 +ATOM 2489 HW1 SOL 830 4.140 13.570 26.680 1.00 0.00 +ATOM 2490 HW2 SOL 830 3.850 14.280 25.370 1.00 0.00 +ATOM 2491 OW SOL 831 13.800 13.450 4.830 1.00 0.00 +ATOM 2492 HW1 SOL 831 13.230 13.190 4.100 1.00 0.00 +ATOM 2493 HW2 SOL 831 14.450 12.760 4.890 1.00 0.00 +ATOM 2494 OW SOL 832 4.550 3.320 8.710 1.00 0.00 +ATOM 2495 HW1 SOL 832 4.750 2.770 9.470 1.00 0.00 +ATOM 2496 HW2 SOL 832 3.750 3.780 8.960 1.00 0.00 +ATOM 2497 OW SOL 833 24.860 11.170 12.640 1.00 0.00 +ATOM 2498 HW1 SOL 833 24.850 10.550 11.910 1.00 0.00 +ATOM 2499 HW2 SOL 833 25.750 11.540 12.630 1.00 0.00 +ATOM 2500 OW SOL 834 12.220 18.550 15.280 1.00 0.00 +ATOM 2501 HW1 SOL 834 12.470 18.160 16.120 1.00 0.00 +ATOM 2502 HW2 SOL 834 12.830 18.170 14.640 1.00 0.00 +ATOM 2503 OW SOL 835 29.460 21.260 8.010 1.00 0.00 +ATOM 2504 HW1 SOL 835 29.280 20.870 7.150 1.00 0.00 +ATOM 2505 HW2 SOL 835 29.620 20.510 8.590 1.00 0.00 +ATOM 2506 OW SOL 836 19.180 23.760 22.370 1.00 0.00 +ATOM 2507 HW1 SOL 836 18.350 23.780 21.900 1.00 0.00 +ATOM 2508 HW2 SOL 836 19.130 22.990 22.920 1.00 0.00 +ATOM 2509 OW SOL 837 10.530 6.420 11.660 1.00 0.00 +ATOM 2510 HW1 SOL 837 10.670 7.350 11.450 1.00 0.00 +ATOM 2511 HW2 SOL 837 11.160 5.960 11.110 1.00 0.00 +ATOM 2512 OW SOL 838 20.130 14.340 20.860 1.00 0.00 +ATOM 2513 HW1 SOL 838 20.500 13.470 20.980 1.00 0.00 +ATOM 2514 HW2 SOL 838 19.210 14.250 21.100 1.00 0.00 +ATOM 2515 OW SOL 839 27.760 19.770 20.850 1.00 0.00 +ATOM 2516 HW1 SOL 839 27.140 20.200 20.260 1.00 0.00 +ATOM 2517 HW2 SOL 839 28.020 18.970 20.400 1.00 0.00 +ATOM 2518 OW SOL 840 28.340 12.640 5.410 1.00 0.00 +ATOM 2519 HW1 SOL 840 29.280 12.470 5.440 1.00 0.00 +ATOM 2520 HW2 SOL 840 28.220 13.480 5.860 1.00 0.00 +ATOM 2521 OW SOL 841 14.610 20.620 20.980 1.00 0.00 +ATOM 2522 HW1 SOL 841 14.650 20.670 20.030 1.00 0.00 +ATOM 2523 HW2 SOL 841 14.140 19.800 21.160 1.00 0.00 +ATOM 2524 OW SOL 842 1.070 20.380 -0.170 1.00 0.00 +ATOM 2525 HW1 SOL 842 0.120 20.300 -0.060 1.00 0.00 +ATOM 2526 HW2 SOL 842 1.420 19.580 0.240 1.00 0.00 +ATOM 2527 OW SOL 843 10.030 5.330 5.740 1.00 0.00 +ATOM 2528 HW1 SOL 843 10.490 5.680 6.500 1.00 0.00 +ATOM 2529 HW2 SOL 843 10.190 5.970 5.040 1.00 0.00 +ATOM 2530 OW SOL 844 6.490 16.120 28.610 1.00 0.00 +ATOM 2531 HW1 SOL 844 6.460 16.860 28.000 1.00 0.00 +ATOM 2532 HW2 SOL 844 7.240 16.320 29.180 1.00 0.00 +ATOM 2533 OW SOL 845 27.970 26.390 18.540 1.00 0.00 +ATOM 2534 HW1 SOL 845 27.120 26.340 18.960 1.00 0.00 +ATOM 2535 HW2 SOL 845 28.060 25.560 18.070 1.00 0.00 +ATOM 2536 OW SOL 846 1.290 28.540 22.610 1.00 0.00 +ATOM 2537 HW1 SOL 846 2.070 28.010 22.810 1.00 0.00 +ATOM 2538 HW2 SOL 846 1.630 29.420 22.470 1.00 0.00 +ATOM 2539 OW SOL 847 3.470 10.910 7.580 1.00 0.00 +ATOM 2540 HW1 SOL 847 3.460 11.370 8.420 1.00 0.00 +ATOM 2541 HW2 SOL 847 3.200 10.020 7.780 1.00 0.00 +ATOM 2542 OW SOL 848 4.680 25.920 18.170 1.00 0.00 +ATOM 2543 HW1 SOL 848 4.000 26.180 17.540 1.00 0.00 +ATOM 2544 HW2 SOL 848 5.500 26.130 17.740 1.00 0.00 +ATOM 2545 OW SOL 849 10.190 9.140 7.580 1.00 0.00 +ATOM 2546 HW1 SOL 849 9.980 9.810 6.920 1.00 0.00 +ATOM 2547 HW2 SOL 849 9.370 8.670 7.710 1.00 0.00 +ATOM 2548 OW SOL 850 17.780 15.630 22.870 1.00 0.00 +ATOM 2549 HW1 SOL 850 17.550 14.950 23.510 1.00 0.00 +ATOM 2550 HW2 SOL 850 18.410 16.180 23.340 1.00 0.00 +ATOM 2551 OW SOL 851 23.020 2.280 19.210 1.00 0.00 +ATOM 2552 HW1 SOL 851 22.620 2.540 20.040 1.00 0.00 +ATOM 2553 HW2 SOL 851 22.930 3.040 18.640 1.00 0.00 +ATOM 2554 OW SOL 852 22.470 11.400 0.900 1.00 0.00 +ATOM 2555 HW1 SOL 852 21.910 11.880 0.280 1.00 0.00 +ATOM 2556 HW2 SOL 852 22.560 12.000 1.650 1.00 0.00 +ATOM 2557 OW SOL 853 19.180 12.000 11.710 1.00 0.00 +ATOM 2558 HW1 SOL 853 19.780 12.660 12.070 1.00 0.00 +ATOM 2559 HW2 SOL 853 18.450 12.510 11.360 1.00 0.00 +ATOM 2560 OW SOL 854 2.660 15.700 18.950 1.00 0.00 +ATOM 2561 HW1 SOL 854 3.610 15.620 18.940 1.00 0.00 +ATOM 2562 HW2 SOL 854 2.410 15.530 19.860 1.00 0.00 +ATOM 2563 OW SOL 855 6.120 28.760 24.110 1.00 0.00 +ATOM 2564 HW1 SOL 855 6.150 28.800 25.070 1.00 0.00 +ATOM 2565 HW2 SOL 855 5.890 27.850 23.920 1.00 0.00 +ATOM 2566 OW SOL 856 12.060 8.760 15.540 1.00 0.00 +ATOM 2567 HW1 SOL 856 11.880 8.800 14.600 1.00 0.00 +ATOM 2568 HW2 SOL 856 12.620 7.990 15.650 1.00 0.00 +ATOM 2569 OW SOL 857 23.570 5.360 18.850 1.00 0.00 +ATOM 2570 HW1 SOL 857 24.380 5.460 18.350 1.00 0.00 +ATOM 2571 HW2 SOL 857 23.830 5.460 19.760 1.00 0.00 +ATOM 2572 OW SOL 858 9.590 2.740 25.080 1.00 0.00 +ATOM 2573 HW1 SOL 858 10.520 2.650 25.290 1.00 0.00 +ATOM 2574 HW2 SOL 858 9.580 3.060 24.180 1.00 0.00 +ATOM 2575 OW SOL 859 27.720 22.070 25.310 1.00 0.00 +ATOM 2576 HW1 SOL 859 27.960 22.960 25.560 1.00 0.00 +ATOM 2577 HW2 SOL 859 26.990 21.840 25.890 1.00 0.00 +ATOM 2578 OW SOL 860 9.970 0.600 2.740 1.00 0.00 +ATOM 2579 HW1 SOL 860 10.080 0.610 1.790 1.00 0.00 +ATOM 2580 HW2 SOL 860 10.520 1.330 3.040 1.00 0.00 +ATOM 2581 OW SOL 861 18.600 19.060 0.820 1.00 0.00 +ATOM 2582 HW1 SOL 861 17.910 19.260 1.460 1.00 0.00 +ATOM 2583 HW2 SOL 861 18.220 19.330 -0.020 1.00 0.00 +ATOM 2584 OW SOL 862 20.390 5.030 19.860 1.00 0.00 +ATOM 2585 HW1 SOL 862 20.420 4.690 18.970 1.00 0.00 +ATOM 2586 HW2 SOL 862 20.720 4.320 20.400 1.00 0.00 +ATOM 2587 OW SOL 863 0.620 11.590 8.460 1.00 0.00 +ATOM 2588 HW1 SOL 863 1.290 11.830 9.100 1.00 0.00 +ATOM 2589 HW2 SOL 863 1.090 11.590 7.620 1.00 0.00 +ATOM 2590 OW SOL 864 13.140 7.030 5.140 1.00 0.00 +ATOM 2591 HW1 SOL 864 13.280 7.970 5.270 1.00 0.00 +ATOM 2592 HW2 SOL 864 12.340 6.970 4.610 1.00 0.00 +ATOM 2593 OW SOL 865 24.080 14.030 19.560 1.00 0.00 +ATOM 2594 HW1 SOL 865 24.550 14.560 20.210 1.00 0.00 +ATOM 2595 HW2 SOL 865 23.520 13.450 20.080 1.00 0.00 +ATOM 2596 OW SOL 866 29.800 28.330 19.730 1.00 0.00 +ATOM 2597 HW1 SOL 866 30.670 27.950 19.600 1.00 0.00 +ATOM 2598 HW2 SOL 866 29.220 27.770 19.220 1.00 0.00 +ATOM 2599 OW SOL 867 22.810 30.000 4.950 1.00 0.00 +ATOM 2600 HW1 SOL 867 22.350 29.630 5.700 1.00 0.00 +ATOM 2601 HW2 SOL 867 23.410 30.640 5.320 1.00 0.00 +ATOM 2602 OW SOL 868 25.390 9.390 6.900 1.00 0.00 +ATOM 2603 HW1 SOL 868 24.710 8.730 7.040 1.00 0.00 +ATOM 2604 HW2 SOL 868 25.750 9.180 6.040 1.00 0.00 +ATOM 2605 OW SOL 869 14.470 25.110 3.530 1.00 0.00 +ATOM 2606 HW1 SOL 869 14.380 24.950 2.590 1.00 0.00 +ATOM 2607 HW2 SOL 869 13.870 25.830 3.710 1.00 0.00 +ATOM 2608 OW SOL 870 22.760 22.630 1.160 1.00 0.00 +ATOM 2609 HW1 SOL 870 22.020 22.050 1.330 1.00 0.00 +ATOM 2610 HW2 SOL 870 22.950 22.520 0.220 1.00 0.00 +ATOM 2611 OW SOL 871 24.450 19.710 13.640 1.00 0.00 +ATOM 2612 HW1 SOL 871 24.250 18.980 13.050 1.00 0.00 +ATOM 2613 HW2 SOL 871 24.460 19.320 14.510 1.00 0.00 +ATOM 2614 OW SOL 872 11.490 2.700 15.560 1.00 0.00 +ATOM 2615 HW1 SOL 872 12.230 2.320 15.070 1.00 0.00 +ATOM 2616 HW2 SOL 872 11.420 3.590 15.220 1.00 0.00 +ATOM 2617 OW SOL 873 29.990 25.980 23.270 1.00 0.00 +ATOM 2618 HW1 SOL 873 30.400 26.850 23.350 1.00 0.00 +ATOM 2619 HW2 SOL 873 29.080 26.160 23.060 1.00 0.00 +ATOM 2620 OW SOL 874 3.390 18.020 30.050 1.00 0.00 +ATOM 2621 HW1 SOL 874 3.860 17.220 30.290 1.00 0.00 +ATOM 2622 HW2 SOL 874 3.230 17.930 29.110 1.00 0.00 +ATOM 2623 OW SOL 875 4.580 15.870 0.460 1.00 0.00 +ATOM 2624 HW1 SOL 875 5.150 15.840 -0.310 1.00 0.00 +ATOM 2625 HW2 SOL 875 4.830 15.100 0.970 1.00 0.00 +ATOM 2626 OW SOL 876 21.670 21.770 28.950 1.00 0.00 +ATOM 2627 HW1 SOL 876 22.220 21.300 28.320 1.00 0.00 +ATOM 2628 HW2 SOL 876 21.330 21.080 29.520 1.00 0.00 +ATOM 2629 OW SOL 877 21.380 6.840 0.990 1.00 0.00 +ATOM 2630 HW1 SOL 877 20.500 6.520 1.170 1.00 0.00 +ATOM 2631 HW2 SOL 877 21.280 7.790 0.950 1.00 0.00 +ATOM 2632 OW SOL 878 26.180 12.480 7.650 1.00 0.00 +ATOM 2633 HW1 SOL 878 25.350 12.330 8.100 1.00 0.00 +ATOM 2634 HW2 SOL 878 26.060 12.120 6.770 1.00 0.00 +ATOM 2635 OW SOL 879 27.490 6.290 15.070 1.00 0.00 +ATOM 2636 HW1 SOL 879 26.870 6.900 14.680 1.00 0.00 +ATOM 2637 HW2 SOL 879 27.710 5.680 14.370 1.00 0.00 +ATOM 2638 OW SOL 880 12.210 2.070 25.730 1.00 0.00 +ATOM 2639 HW1 SOL 880 12.150 1.120 25.870 1.00 0.00 +ATOM 2640 HW2 SOL 880 12.710 2.160 24.920 1.00 0.00 +ATOM 2641 OW SOL 881 10.520 23.070 10.450 1.00 0.00 +ATOM 2642 HW1 SOL 881 10.840 23.510 11.240 1.00 0.00 +ATOM 2643 HW2 SOL 881 11.250 23.140 9.820 1.00 0.00 +ATOM 2644 OW SOL 882 20.020 19.160 7.690 1.00 0.00 +ATOM 2645 HW1 SOL 882 19.260 19.710 7.460 1.00 0.00 +ATOM 2646 HW2 SOL 882 20.660 19.770 8.060 1.00 0.00 +ATOM 2647 OW SOL 883 29.410 8.060 30.480 1.00 0.00 +ATOM 2648 HW1 SOL 883 29.660 7.230 30.080 1.00 0.00 +ATOM 2649 HW2 SOL 883 29.140 8.610 29.740 1.00 0.00 +ATOM 2650 OW SOL 884 8.110 20.080 1.240 1.00 0.00 +ATOM 2651 HW1 SOL 884 8.090 20.980 1.570 1.00 0.00 +ATOM 2652 HW2 SOL 884 7.280 19.970 0.780 1.00 0.00 +ATOM 2653 OW SOL 885 23.210 3.970 25.160 1.00 0.00 +ATOM 2654 HW1 SOL 885 23.600 3.870 24.290 1.00 0.00 +ATOM 2655 HW2 SOL 885 23.510 3.210 25.650 1.00 0.00 +ATOM 2656 OW SOL 886 7.170 11.650 11.800 1.00 0.00 +ATOM 2657 HW1 SOL 886 7.740 12.160 12.380 1.00 0.00 +ATOM 2658 HW2 SOL 886 6.770 12.310 11.230 1.00 0.00 +ATOM 2659 OW SOL 887 11.370 19.460 24.310 1.00 0.00 +ATOM 2660 HW1 SOL 887 10.510 19.060 24.500 1.00 0.00 +ATOM 2661 HW2 SOL 887 11.530 20.040 25.040 1.00 0.00 +ATOM 2662 OW SOL 888 12.640 14.700 19.980 1.00 0.00 +ATOM 2663 HW1 SOL 888 11.830 14.200 19.920 1.00 0.00 +ATOM 2664 HW2 SOL 888 12.350 15.610 20.100 1.00 0.00 +ATOM 2665 OW SOL 889 28.520 20.930 12.200 1.00 0.00 +ATOM 2666 HW1 SOL 889 28.000 21.690 11.940 1.00 0.00 +ATOM 2667 HW2 SOL 889 28.430 20.880 13.150 1.00 0.00 +ATOM 2668 OW SOL 890 11.190 17.180 11.040 1.00 0.00 +ATOM 2669 HW1 SOL 890 11.070 16.830 10.160 1.00 0.00 +ATOM 2670 HW2 SOL 890 12.050 17.610 11.010 1.00 0.00 +ATOM 2671 OW SOL 891 17.250 18.010 19.330 1.00 0.00 +ATOM 2672 HW1 SOL 891 16.720 17.210 19.340 1.00 0.00 +ATOM 2673 HW2 SOL 891 18.090 17.730 18.950 1.00 0.00 +ATOM 2674 OW SOL 892 8.180 0.820 6.780 1.00 0.00 +ATOM 2675 HW1 SOL 892 8.120 0.510 5.880 1.00 0.00 +ATOM 2676 HW2 SOL 892 8.830 1.510 6.760 1.00 0.00 +ATOM 2677 OW SOL 893 21.160 0.940 3.170 1.00 0.00 +ATOM 2678 HW1 SOL 893 21.820 0.660 3.800 1.00 0.00 +ATOM 2679 HW2 SOL 893 20.620 1.570 3.650 1.00 0.00 +ATOM 2680 OW SOL 894 1.900 26.910 19.090 1.00 0.00 +ATOM 2681 HW1 SOL 894 1.830 27.040 18.150 1.00 0.00 +ATOM 2682 HW2 SOL 894 2.750 26.480 19.210 1.00 0.00 +ATOM 2683 OW SOL 895 2.240 27.860 12.300 1.00 0.00 +ATOM 2684 HW1 SOL 895 2.330 27.570 11.390 1.00 0.00 +ATOM 2685 HW2 SOL 895 1.300 27.980 12.420 1.00 0.00 +ATOM 2686 OW SOL 896 12.070 1.360 21.290 1.00 0.00 +ATOM 2687 HW1 SOL 896 11.480 1.480 20.540 1.00 0.00 +ATOM 2688 HW2 SOL 896 11.900 0.460 21.570 1.00 0.00 +ATOM 2689 OW SOL 897 20.910 12.960 29.570 1.00 0.00 +ATOM 2690 HW1 SOL 897 20.880 13.850 29.230 1.00 0.00 +ATOM 2691 HW2 SOL 897 20.030 12.800 29.920 1.00 0.00 +ATOM 2692 OW SOL 898 19.590 7.180 9.840 1.00 0.00 +ATOM 2693 HW1 SOL 898 19.160 7.970 9.510 1.00 0.00 +ATOM 2694 HW2 SOL 898 19.570 7.280 10.800 1.00 0.00 +ATOM 2695 OW SOL 899 0.330 23.330 29.000 1.00 0.00 +ATOM 2696 HW1 SOL 899 0.460 24.150 29.470 1.00 0.00 +ATOM 2697 HW2 SOL 899 -0.120 22.760 29.630 1.00 0.00 +ATOM 2698 OW SOL 900 25.140 28.270 15.830 1.00 0.00 +ATOM 2699 HW1 SOL 900 24.700 28.520 16.640 1.00 0.00 +ATOM 2700 HW2 SOL 900 24.530 27.670 15.400 1.00 0.00 +TER +ENDMDL diff --git a/src/data/waterbox/watbox216.crd b/src/data/waterbox/watbox216.crd new file mode 100644 index 000000000..e20d4e59f --- /dev/null +++ b/src/data/waterbox/watbox216.crd @@ -0,0 +1,327 @@ +WATERBOX18 + 648 + 11.9603935 8.3531035 7.6664775 11.8797985 7.4385645 7.3956485 + 11.5468355 8.8498105 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18.77434905156.61794625156.61794625156.6179462 diff --git a/src/data/waterbox/watbox216.pdb b/src/data/waterbox/watbox216.pdb new file mode 100644 index 000000000..b156cff82 --- /dev/null +++ b/src/data/waterbox/watbox216.pdb @@ -0,0 +1,866 @@ +REMARK WATERBOX18 +ATOM 1 O WAT 1 11.960 8.353 7.666 +ATOM 2 H1 WAT 1 11.880 7.439 7.396 +ATOM 3 H2 WAT 1 11.547 8.850 6.960 +TER +ATOM 4 O WAT 2 10.092 10.131 9.547 +ATOM 5 H1 WAT 2 9.316 9.651 9.837 +ATOM 6 H2 WAT 2 10.743 9.452 9.373 +TER +ATOM 7 O WAT 3 4.109 10.443 10.425 +ATOM 8 H1 WAT 3 3.277 10.188 10.825 +ATOM 9 H2 WAT 3 4.717 10.514 11.161 +TER +ATOM 10 O WAT 4 14.113 14.537 8.327 +ATOM 11 H1 WAT 4 13.651 13.766 8.656 +ATOM 12 H2 WAT 4 14.925 14.564 8.833 +TER +ATOM 13 O WAT 5 4.089 14.477 10.621 +ATOM 14 H1 WAT 5 4.392 13.587 10.442 +ATOM 15 H2 WAT 5 4.833 15.034 10.393 +TER +ATOM 16 O WAT 6 2.518 5.403 4.209 +ATOM 17 H1 WAT 6 1.630 5.745 4.107 +ATOM 18 H2 WAT 6 2.802 5.203 3.317 +TER +ATOM 19 O WAT 7 0.481 8.004 10.093 +ATOM 20 H1 WAT 7 1.053 7.236 10.094 +ATOM 21 H2 WAT 7 0.481 8.303 9.184 +TER +ATOM 22 O WAT 8 10.339 16.823 7.948 +ATOM 23 H1 WAT 8 9.720 17.279 7.377 +ATOM 24 H2 WAT 8 11.194 16.978 7.547 +TER +ATOM 25 O WAT 9 9.533 12.807 9.554 +ATOM 26 H1 WAT 9 9.464 11.866 9.393 +ATOM 27 H2 WAT 9 10.295 12.897 10.127 +TER +ATOM 28 O WAT 10 1.724 3.412 11.880 +ATOM 29 H1 WAT 10 1.544 2.515 12.160 +ATOM 30 H2 WAT 10 1.322 3.959 12.555 +TER +ATOM 31 O WAT 11 10.564 5.614 9.781 +ATOM 32 H1 WAT 11 10.940 4.741 9.669 +ATOM 33 H2 WAT 11 10.466 5.950 8.890 +TER +ATOM 34 O WAT 12 4.694 3.986 5.243 +ATOM 35 H1 WAT 12 4.801 4.887 5.550 +ATOM 36 H2 WAT 12 3.783 3.938 4.953 +TER +ATOM 37 O WAT 13 14.346 3.109 6.714 +ATOM 38 H1 WAT 13 15.167 2.618 6.757 +ATOM 39 H2 WAT 13 14.379 3.699 7.467 +TER +ATOM 40 O WAT 14 2.342 5.908 10.488 +ATOM 41 H1 WAT 14 3.023 6.172 11.107 +ATOM 42 H2 WAT 14 2.027 5.068 10.822 +TER +ATOM 43 O WAT 15 6.535 6.955 9.576 +ATOM 44 H1 WAT 15 7.043 7.453 10.216 +ATOM 45 H2 WAT 15 7.066 6.178 9.400 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16.969 +ATOM 194 H1 WAT 65 7.479 6.705 16.819 +ATOM 195 H2 WAT 65 8.418 7.867 16.573 +TER +ATOM 196 O WAT 66 10.971 5.389 6.932 +ATOM 197 H1 WAT 66 11.364 5.707 6.119 +ATOM 198 H2 WAT 66 11.333 4.511 7.046 +TER +ATOM 199 O WAT 67 2.706 4.057 15.122 +ATOM 200 H1 WAT 67 2.312 4.904 15.329 +ATOM 201 H2 WAT 67 2.018 3.419 15.313 +TER +ATOM 202 O WAT 68 9.280 4.140 18.192 +ATOM 203 H1 WAT 68 8.590 3.947 18.826 +ATOM 204 H2 WAT 68 10.024 4.424 18.724 +TER +ATOM 205 O WAT 69 0.007 1.980 9.155 +ATOM 206 H1 WAT 69 -0.281 2.550 9.867 +ATOM 207 H2 WAT 69 0.752 1.500 9.518 +TER +ATOM 208 O WAT 70 0.195 5.922 0.365 +ATOM 209 H1 WAT 70 0.112 6.865 0.507 +ATOM 210 H2 WAT 70 -0.157 5.779 -0.514 +TER +ATOM 211 O WAT 71 11.557 7.980 11.027 +ATOM 212 H1 WAT 71 10.825 8.489 11.376 +ATOM 213 H2 WAT 71 11.159 7.163 10.726 +TER +ATOM 214 O WAT 72 7.994 4.655 9.432 +ATOM 215 H1 WAT 72 7.998 4.214 8.583 +ATOM 216 H2 WAT 72 8.889 4.977 9.539 +TER +ATOM 217 O WAT 73 3.845 4.538 8.392 +ATOM 218 H1 WAT 73 3.505 5.016 9.148 +ATOM 219 H2 WAT 73 3.082 4.085 8.032 +TER +ATOM 220 O WAT 74 8.056 5.657 2.423 +ATOM 221 H1 WAT 74 8.178 5.615 3.372 +ATOM 222 H2 WAT 74 7.671 6.519 2.268 +TER +ATOM 223 O WAT 75 12.019 3.433 10.439 +ATOM 224 H1 WAT 75 12.036 3.884 11.284 +ATOM 225 H2 WAT 75 11.771 2.534 10.653 +TER +ATOM 226 O WAT 76 7.068 7.967 1.821 +ATOM 227 H1 WAT 76 6.500 7.519 1.195 +ATOM 228 H2 WAT 76 7.777 8.326 1.288 +TER +ATOM 229 O WAT 77 15.446 0.847 16.278 +ATOM 230 H1 WAT 77 15.771 0.116 16.804 +ATOM 231 H2 WAT 77 15.482 0.528 15.376 +TER +ATOM 232 O WAT 78 2.145 11.868 15.698 +ATOM 233 H1 WAT 78 1.761 11.227 16.296 +ATOM 234 H2 WAT 78 2.457 12.572 16.267 +TER +ATOM 235 O WAT 79 8.295 8.716 11.179 +ATOM 236 H1 WAT 79 8.662 8.241 11.925 +ATOM 237 H2 WAT 79 8.106 9.590 11.520 +TER +ATOM 238 O WAT 80 1.159 3.460 7.308 +ATOM 239 H1 WAT 80 0.874 3.096 8.146 +ATOM 240 H2 WAT 80 1.097 2.728 6.694 +TER +ATOM 241 O WAT 81 6.085 7.756 13.497 +ATOM 242 H1 WAT 81 5.781 8.636 13.722 +ATOM 243 H2 WAT 81 7.040 7.816 13.533 +TER +ATOM 244 O WAT 82 4.613 11.963 4.094 +ATOM 245 H1 WAT 82 3.839 11.422 3.934 +ATOM 246 H2 WAT 82 5.343 11.443 3.756 +TER +ATOM 247 O WAT 83 15.372 10.959 9.887 +ATOM 248 H1 WAT 83 16.092 11.455 9.496 +ATOM 249 H2 WAT 83 15.170 10.281 9.242 +TER +ATOM 250 O WAT 84 10.833 2.353 4.030 +ATOM 251 H1 WAT 84 10.019 1.854 3.954 +ATOM 252 H2 WAT 84 10.639 3.193 3.613 +TER +ATOM 253 O WAT 85 10.754 11.030 15.773 +ATOM 254 H1 WAT 85 10.688 10.110 15.519 +ATOM 255 H2 WAT 85 10.124 11.128 16.488 +TER +ATOM 256 O WAT 86 13.548 6.725 2.326 +ATOM 257 H1 WAT 86 14.436 7.037 2.151 +ATOM 258 H2 WAT 86 13.518 5.852 1.934 +TER +ATOM 259 O WAT 87 4.657 11.631 7.732 +ATOM 260 H1 WAT 87 5.175 10.827 7.678 +ATOM 261 H2 WAT 87 4.205 11.569 8.573 +TER +ATOM 262 O WAT 88 9.544 12.897 3.005 +ATOM 263 H1 WAT 88 9.885 13.641 2.509 +ATOM 264 H2 WAT 88 8.715 13.210 3.367 +TER +ATOM 265 O WAT 89 2.141 8.597 14.644 +ATOM 266 H1 WAT 89 1.783 9.262 15.232 +ATOM 267 H2 WAT 89 1.847 7.765 15.016 +TER +ATOM 268 O WAT 90 5.343 9.055 17.528 +ATOM 269 H1 WAT 90 5.043 9.201 16.631 +ATOM 270 H2 WAT 90 6.114 8.496 17.436 +TER +ATOM 271 O WAT 91 10.686 13.852 15.524 +ATOM 272 H1 WAT 91 10.700 12.920 15.306 +ATOM 273 H2 WAT 91 9.978 13.938 16.163 +TER +ATOM 274 O WAT 92 15.819 8.036 1.794 +ATOM 275 H1 WAT 92 15.736 8.467 0.943 +ATOM 276 H2 WAT 92 16.539 8.496 2.226 +TER +ATOM 277 O WAT 93 16.897 10.493 14.871 +ATOM 278 H1 WAT 93 16.172 11.086 14.674 +ATOM 279 H2 WAT 93 17.424 10.485 14.072 +TER +ATOM 280 O WAT 94 16.848 14.890 4.522 +ATOM 281 H1 WAT 94 16.206 14.236 4.796 +ATOM 282 H2 WAT 94 16.461 15.296 3.746 +TER +ATOM 283 O WAT 95 12.427 12.219 8.369 +ATOM 284 H1 WAT 95 12.779 11.622 7.709 +ATOM 285 H2 WAT 95 11.543 11.893 8.540 +TER +ATOM 286 O WAT 96 8.513 12.979 5.776 +ATOM 287 H1 WAT 96 9.200 13.526 6.157 +ATOM 288 H2 WAT 96 7.726 13.523 5.811 +TER +ATOM 289 O WAT 97 0.652 8.596 1.268 +ATOM 290 H1 WAT 97 1.522 8.878 1.551 +ATOM 291 H2 WAT 97 0.161 9.409 1.153 +TER +ATOM 292 O WAT 98 7.816 9.983 5.389 +ATOM 293 H1 WAT 98 8.272 10.794 5.615 +ATOM 294 H2 WAT 98 7.465 9.666 6.221 +TER +ATOM 295 O WAT 99 10.119 15.494 12.618 +ATOM 296 H1 WAT 99 10.763 15.700 13.295 +ATOM 297 H2 WAT 99 10.482 14.733 12.165 +TER +ATOM 298 O WAT 100 3.717 0.327 5.861 +ATOM 299 H1 WAT 100 3.588 0.319 6.809 +ATOM 300 H2 WAT 100 2.893 0.665 5.510 +TER +ATOM 301 O WAT 101 11.392 13.497 11.336 +ATOM 302 H1 WAT 101 12.034 12.796 11.449 +ATOM 303 H2 WAT 101 11.917 14.277 11.155 +TER +ATOM 304 O WAT 102 15.238 13.782 1.060 +ATOM 305 H1 WAT 102 15.012 13.065 1.652 +ATOM 306 H2 WAT 102 14.847 13.533 0.222 +TER +ATOM 307 O WAT 103 13.166 14.297 14.539 +ATOM 308 H1 WAT 103 13.502 14.883 15.217 +ATOM 309 H2 WAT 103 12.246 14.166 14.769 +TER +ATOM 310 O WAT 104 1.019 17.809 1.834 +ATOM 311 H1 WAT 104 1.379 18.408 1.180 +ATOM 312 H2 WAT 104 0.879 18.355 2.608 +TER +ATOM 313 O WAT 105 0.716 2.086 15.322 +ATOM 314 H1 WAT 105 0.002 2.286 15.927 +ATOM 315 H2 WAT 105 1.136 1.310 15.693 +TER +ATOM 316 O WAT 106 14.819 11.699 2.721 +ATOM 317 H1 WAT 106 14.532 12.160 3.509 +ATOM 318 H2 WAT 106 15.615 11.239 2.989 +TER +ATOM 319 O WAT 107 1.004 16.074 16.308 +ATOM 320 H1 WAT 107 1.113 15.134 16.168 +ATOM 321 H2 WAT 107 0.352 16.340 15.660 +TER +ATOM 322 O WAT 108 8.995 14.346 17.708 +ATOM 323 H1 WAT 108 8.674 13.627 18.253 +ATOM 324 H2 WAT 108 8.321 15.021 17.782 +TER +ATOM 325 O WAT 109 7.036 15.192 2.651 +ATOM 326 H1 WAT 109 7.027 15.925 2.036 +ATOM 327 H2 WAT 109 6.116 14.945 2.744 +TER +ATOM 328 O WAT 110 2.637 10.413 3.396 +ATOM 329 H1 WAT 110 2.030 11.153 3.406 +ATOM 330 H2 WAT 110 3.112 10.503 2.570 +TER +ATOM 331 O WAT 111 12.210 4.578 13.072 +ATOM 332 H1 WAT 111 12.578 3.758 13.400 +ATOM 333 H2 WAT 111 11.350 4.639 13.487 +TER +ATOM 334 O WAT 112 15.576 3.534 3.880 +ATOM 335 H1 WAT 112 14.948 3.639 3.166 +ATOM 336 H2 WAT 112 15.082 3.754 4.670 +TER +ATOM 337 O WAT 113 10.022 15.255 1.314 +ATOM 338 H1 WAT 113 10.123 15.051 0.384 +ATOM 339 H2 WAT 113 9.122 15.000 1.519 +TER +ATOM 340 O WAT 114 7.545 5.813 5.296 +ATOM 341 H1 WAT 114 6.836 6.281 5.738 +ATOM 342 H2 WAT 114 7.829 5.155 5.931 +TER +ATOM 343 O WAT 115 9.170 7.232 13.296 +ATOM 344 H1 WAT 115 9.669 7.707 13.961 +ATOM 345 H2 WAT 115 9.313 6.309 13.503 +TER +ATOM 346 O WAT 116 11.576 2.538 6.736 +ATOM 347 H1 WAT 116 11.453 2.556 5.787 +ATOM 348 H2 WAT 116 12.525 2.586 6.856 +TER +ATOM 349 O WAT 117 8.664 17.773 6.009 +ATOM 350 H1 WAT 117 8.918 17.735 5.087 +ATOM 351 H2 WAT 117 7.715 17.647 6.001 +TER +ATOM 352 O WAT 118 5.748 4.121 2.671 +ATOM 353 H1 WAT 118 6.597 4.558 2.605 +ATOM 354 H2 WAT 118 5.381 4.433 3.499 +TER +ATOM 355 O WAT 119 16.377 3.449 14.138 +ATOM 356 H1 WAT 119 15.874 4.190 14.478 +ATOM 357 H2 WAT 119 17.193 3.837 13.822 +TER +ATOM 358 O WAT 120 14.669 8.692 7.585 +ATOM 359 H1 WAT 120 13.728 8.707 7.759 +ATOM 360 H2 WAT 120 14.984 7.906 8.031 +TER +ATOM 361 O WAT 121 4.647 10.374 1.145 +ATOM 362 H1 WAT 121 5.414 10.262 1.707 +ATOM 363 H2 WAT 121 4.725 9.678 0.493 +TER +ATOM 364 O WAT 122 3.342 7.807 1.828 +ATOM 365 H1 WAT 122 3.422 6.860 1.940 +ATOM 366 H2 WAT 122 4.234 8.138 1.934 +TER +ATOM 367 O WAT 123 16.672 15.863 9.260 +ATOM 368 H1 WAT 123 16.797 16.686 9.732 +ATOM 369 H2 WAT 123 17.538 15.652 8.912 +TER +ATOM 370 O WAT 124 4.144 17.956 8.932 +ATOM 371 H1 WAT 124 4.880 17.408 9.203 +ATOM 372 H2 WAT 124 4.528 18.822 8.792 +TER +ATOM 373 O WAT 125 1.028 14.024 4.806 +ATOM 374 H1 WAT 125 0.102 14.266 4.796 +ATOM 375 H2 WAT 125 1.494 14.851 4.684 +TER +ATOM 376 O WAT 126 3.149 17.141 18.120 +ATOM 377 H1 WAT 126 3.951 17.462 18.534 +ATOM 378 H2 WAT 126 2.635 16.781 18.842 +TER +ATOM 379 O WAT 127 7.254 17.129 0.754 +ATOM 380 H1 WAT 127 8.047 17.418 0.302 +ATOM 381 H2 WAT 127 6.734 16.699 0.075 +TER +ATOM 382 O WAT 128 11.986 13.249 18.068 +ATOM 383 H1 WAT 128 11.380 13.272 17.327 +ATOM 384 H2 WAT 128 11.681 12.517 18.604 +TER +ATOM 385 O WAT 129 13.416 16.977 16.679 +ATOM 386 H1 WAT 129 14.368 16.893 16.629 +ATOM 387 H2 WAT 129 13.269 17.641 17.352 +TER +ATOM 388 O WAT 130 16.307 16.356 2.178 +ATOM 389 H1 WAT 130 16.021 15.943 1.363 +ATOM 390 H2 WAT 130 16.109 17.285 2.058 +TER +ATOM 391 O WAT 131 0.869 9.628 17.064 +ATOM 392 H1 WAT 131 1.373 9.049 17.635 +ATOM 393 H2 WAT 131 0.130 9.912 17.601 +TER +ATOM 394 O WAT 132 7.772 12.350 0.618 +ATOM 395 H1 WAT 132 7.667 11.735 1.345 +ATOM 396 H2 WAT 132 7.604 11.826 -0.165 +TER +ATOM 397 O WAT 133 7.923 11.035 16.597 +ATOM 398 H1 WAT 133 7.158 11.604 16.513 +ATOM 399 H2 WAT 133 8.105 10.743 15.704 +TER +ATOM 400 O WAT 134 11.012 11.412 1.223 +ATOM 401 H1 WAT 134 10.463 11.859 1.867 +ATOM 402 H2 WAT 134 11.634 10.907 1.746 +TER +ATOM 403 O WAT 135 15.065 12.766 17.155 +ATOM 404 H1 WAT 135 15.806 13.104 16.652 +ATOM 405 H2 WAT 135 14.303 12.935 16.602 +TER +ATOM 406 O WAT 136 2.901 7.771 17.959 +ATOM 407 H1 WAT 136 2.942 7.473 18.867 +ATOM 408 H2 WAT 136 3.756 8.172 17.800 +TER +ATOM 409 O WAT 137 6.679 10.371 3.119 +ATOM 410 H1 WAT 137 7.101 10.205 3.962 +ATOM 411 H2 WAT 137 6.804 9.561 2.625 +TER +ATOM 412 O WAT 138 4.842 6.351 15.926 +ATOM 413 H1 WAT 138 4.312 5.860 15.299 +ATOM 414 H2 WAT 138 5.511 6.779 15.392 +TER +ATOM 415 O WAT 139 9.192 9.395 0.367 +ATOM 416 H1 WAT 139 9.713 8.680 0.001 +ATOM 417 H2 WAT 139 9.839 10.033 0.667 +TER +ATOM 418 O WAT 140 13.740 10.817 15.690 +ATOM 419 H1 WAT 140 14.154 10.972 16.539 +ATOM 420 H2 WAT 140 12.805 10.943 15.853 +TER +ATOM 421 O WAT 141 14.212 8.157 17.694 +ATOM 422 H1 WAT 141 14.794 7.402 17.606 +ATOM 423 H2 WAT 141 14.388 8.688 16.917 +TER +ATOM 424 O WAT 142 5.329 3.317 16.006 +ATOM 425 H1 WAT 142 5.235 2.699 15.281 +ATOM 426 H2 WAT 142 4.749 4.043 15.779 +TER +ATOM 427 O WAT 143 8.095 1.874 13.039 +ATOM 428 H1 WAT 143 7.647 1.897 12.193 +ATOM 429 H2 WAT 143 7.462 1.476 13.636 +TER +ATOM 430 O WAT 144 8.501 10.770 13.660 +ATOM 431 H1 WAT 144 8.920 11.613 13.488 +ATOM 432 H2 WAT 144 7.582 10.907 13.431 +TER +ATOM 433 O WAT 145 10.838 8.501 15.044 +ATOM 434 H1 WAT 145 10.957 7.905 15.783 +ATOM 435 H2 WAT 145 11.697 8.538 14.624 +TER +ATOM 436 O WAT 146 13.177 9.055 13.620 +ATOM 437 H1 WAT 146 12.650 9.579 13.017 +ATOM 438 H2 WAT 146 13.520 9.688 14.251 +TER +ATOM 439 O WAT 147 5.575 6.444 0.065 +ATOM 440 H1 WAT 147 5.374 5.581 0.426 +ATOM 441 H2 WAT 147 5.404 6.358 -0.873 +TER +ATOM 442 O WAT 148 6.352 17.075 14.776 +ATOM 443 H1 WAT 148 5.814 17.799 14.457 +ATOM 444 H2 WAT 148 6.606 16.598 13.985 +TER +ATOM 445 O WAT 149 7.605 5.043 16.301 +ATOM 446 H1 WAT 149 8.195 4.735 16.989 +ATOM 447 H2 WAT 149 6.787 4.571 16.457 +TER +ATOM 448 O WAT 150 12.424 4.660 16.535 +ATOM 449 H1 WAT 150 11.736 3.998 16.470 +ATOM 450 H2 WAT 150 13.145 4.214 16.979 +TER +ATOM 451 O WAT 151 13.054 1.255 2.594 +ATOM 452 H1 WAT 151 13.334 0.412 2.950 +ATOM 453 H2 WAT 151 12.281 1.487 3.108 +TER +ATOM 454 O WAT 152 4.373 3.544 0.053 +ATOM 455 H1 WAT 152 4.676 3.551 -0.855 +ATOM 456 H2 WAT 152 5.113 3.194 0.550 +TER +ATOM 457 O WAT 153 9.208 18.310 15.034 +ATOM 458 H1 WAT 153 9.134 19.213 15.342 +ATOM 459 H2 WAT 153 8.306 17.991 15.007 +TER +ATOM 460 O WAT 154 7.592 2.488 1.038 +ATOM 461 H1 WAT 154 7.244 1.810 0.459 +ATOM 462 H2 WAT 154 7.793 2.027 1.853 +TER +ATOM 463 O WAT 155 9.757 17.476 2.657 +ATOM 464 H1 WAT 155 10.652 17.814 2.679 +ATOM 465 H2 WAT 155 9.789 16.754 2.029 +TER +ATOM 466 O WAT 156 3.397 12.848 0.886 +ATOM 467 H1 WAT 156 3.834 13.391 1.542 +ATOM 468 H2 WAT 156 3.881 12.023 0.895 +TER +ATOM 469 O WAT 157 0.611 15.637 8.338 +ATOM 470 H1 WAT 157 0.941 14.769 8.106 +ATOM 471 H2 WAT 157 1.040 15.843 9.168 +TER +ATOM 472 O WAT 158 5.207 13.968 5.998 +ATOM 473 H1 WAT 158 4.907 13.845 6.898 +ATOM 474 H2 WAT 158 5.101 13.109 5.590 +TER +ATOM 475 O WAT 159 1.100 16.504 11.076 +ATOM 476 H1 WAT 159 0.663 16.685 11.908 +ATOM 477 H2 WAT 159 1.668 17.262 10.934 +TER +ATOM 478 O WAT 160 16.736 16.006 15.364 +ATOM 479 H1 WAT 160 16.137 16.065 14.620 +ATOM 480 H2 WAT 160 16.866 15.067 15.493 +TER +ATOM 481 O WAT 161 17.976 13.748 0.701 +ATOM 482 H1 WAT 161 17.146 13.816 1.171 +ATOM 483 H2 WAT 161 18.154 14.638 0.397 +TER +ATOM 484 O WAT 162 17.432 10.493 3.204 +ATOM 485 H1 WAT 162 18.194 11.062 3.310 +ATOM 486 H2 WAT 162 17.448 9.925 3.975 +TER +ATOM 487 O WAT 163 0.933 9.016 7.435 +ATOM 488 H1 WAT 163 0.277 8.748 6.791 +ATOM 489 H2 WAT 163 1.770 8.907 6.985 +TER +ATOM 490 O WAT 164 18.438 11.348 8.048 +ATOM 491 H1 WAT 164 18.809 10.564 7.642 +ATOM 492 H2 WAT 164 19.078 12.037 7.870 +TER +ATOM 493 O WAT 165 15.421 12.731 13.461 +ATOM 494 H1 WAT 165 14.607 13.161 13.724 +ATOM 495 H2 WAT 165 15.829 13.343 12.848 +TER +ATOM 496 O WAT 166 17.484 10.786 0.361 +ATOM 497 H1 WAT 166 17.759 11.694 0.233 +ATOM 498 H2 WAT 166 17.295 10.722 1.298 +TER +ATOM 499 O WAT 167 13.882 3.811 1.657 +ATOM 500 H1 WAT 167 14.300 3.624 0.816 +ATOM 501 H2 WAT 167 13.575 2.959 1.967 +TER +ATOM 502 O WAT 168 17.381 8.723 5.354 +ATOM 503 H1 WAT 168 17.005 7.956 4.922 +ATOM 504 H2 WAT 168 16.651 9.105 5.842 +TER +ATOM 505 O WAT 169 1.970 9.402 11.975 +ATOM 506 H1 WAT 169 2.337 9.314 12.855 +ATOM 507 H2 WAT 169 1.401 8.638 11.876 +TER +ATOM 508 O WAT 170 16.771 7.870 14.988 +ATOM 509 H1 WAT 170 16.539 7.641 14.088 +ATOM 510 H2 WAT 170 17.031 8.790 14.943 +TER +ATOM 511 O WAT 171 1.522 6.313 15.881 +ATOM 512 H1 WAT 171 0.627 6.279 16.220 +ATOM 513 H2 WAT 171 2.061 6.511 16.646 +TER +ATOM 514 O WAT 172 15.209 3.096 17.766 +ATOM 515 H1 WAT 172 16.086 3.104 18.150 +ATOM 516 H2 WAT 172 15.221 2.359 17.155 +TER +ATOM 517 O WAT 173 0.146 6.226 3.377 +ATOM 518 H1 WAT 173 -0.757 6.489 3.203 +ATOM 519 H2 WAT 173 0.630 6.497 2.597 +TER +ATOM 520 O WAT 174 16.656 6.949 8.655 +ATOM 521 H1 WAT 174 17.179 6.455 8.024 +ATOM 522 H2 WAT 174 17.242 7.084 9.400 +TER +ATOM 523 O WAT 175 16.835 7.033 12.177 +ATOM 524 H1 WAT 175 15.885 6.999 12.291 +ATOM 525 H2 WAT 175 17.016 7.943 11.942 +TER +ATOM 526 O WAT 176 2.689 5.283 1.287 +ATOM 527 H1 WAT 176 3.398 4.861 0.802 +ATOM 528 H2 WAT 176 1.973 5.350 0.655 +TER +ATOM 529 O WAT 177 2.336 1.337 0.327 +ATOM 530 H1 WAT 177 3.059 1.878 0.645 +ATOM 531 H2 WAT 177 2.609 1.063 -0.549 +TER +ATOM 532 O WAT 178 16.146 6.206 4.594 +ATOM 533 H1 WAT 178 16.642 5.973 5.379 +ATOM 534 H2 WAT 178 15.947 5.367 4.178 +TER +ATOM 535 O WAT 179 2.026 0.587 10.229 +ATOM 536 H1 WAT 179 2.673 0.037 9.789 +ATOM 537 H2 WAT 179 2.446 0.842 11.051 +TER +ATOM 538 O WAT 180 17.574 4.842 7.128 +ATOM 539 H1 WAT 180 17.464 4.688 8.066 +ATOM 540 H2 WAT 180 18.335 4.314 6.886 +TER +ATOM 541 O WAT 181 15.921 0.782 13.586 +ATOM 542 H1 WAT 181 16.558 1.395 13.952 +ATOM 543 H2 WAT 181 16.068 0.818 12.641 +TER +ATOM 544 O WAT 182 18.463 2.673 0.369 +ATOM 545 H1 WAT 182 19.388 2.541 0.160 +ATOM 546 H2 WAT 182 18.441 2.752 1.322 +TER +ATOM 547 O WAT 183 18.537 3.444 2.994 +ATOM 548 H1 WAT 183 17.742 3.379 3.524 +ATOM 549 H2 WAT 183 18.742 4.379 2.983 +TER +ATOM 550 O WAT 184 15.479 17.483 6.988 +ATOM 551 H1 WAT 184 16.075 17.162 6.312 +ATOM 552 H2 WAT 184 15.737 17.010 7.779 +TER +ATOM 553 O WAT 185 1.779 0.743 12.972 +ATOM 554 H1 WAT 185 1.430 1.199 13.738 +ATOM 555 H2 WAT 185 1.448 -0.151 13.054 +TER +ATOM 556 O WAT 186 3.385 13.915 17.137 +ATOM 557 H1 WAT 186 3.342 13.544 18.019 +ATOM 558 H2 WAT 186 3.516 14.853 17.277 +TER +ATOM 559 O WAT 187 7.086 15.471 12.738 +ATOM 560 H1 WAT 187 6.845 15.738 11.851 +ATOM 561 H2 WAT 187 8.026 15.642 12.793 +TER +ATOM 562 O WAT 188 9.291 1.934 16.494 +ATOM 563 H1 WAT 188 9.230 2.526 17.243 +ATOM 564 H2 WAT 188 10.231 1.827 16.349 +TER +ATOM 565 O WAT 189 11.929 1.591 16.133 +ATOM 566 H1 WAT 189 12.543 1.909 15.471 +ATOM 567 H2 WAT 189 12.474 1.106 16.753 +TER +ATOM 568 O WAT 190 18.346 17.490 13.539 +ATOM 569 H1 WAT 190 17.852 17.887 12.822 +ATOM 570 H2 WAT 190 17.738 16.865 13.933 +TER +ATOM 571 O WAT 191 2.451 0.271 16.247 +ATOM 572 H1 WAT 191 2.999 0.089 15.484 +ATOM 573 H2 WAT 191 2.517 -0.520 16.783 +TER +ATOM 574 O WAT 192 3.224 16.861 14.257 +ATOM 575 H1 WAT 192 2.630 16.730 14.996 +ATOM 576 H2 WAT 192 3.217 16.025 13.791 +TER +ATOM 577 O WAT 193 12.670 0.154 12.460 +ATOM 578 H1 WAT 193 11.796 0.488 12.257 +ATOM 579 H2 WAT 193 12.561 -0.318 13.285 +TER +ATOM 580 O WAT 194 13.577 2.362 13.844 +ATOM 581 H1 WAT 194 13.248 1.547 13.464 +ATOM 582 H2 WAT 194 14.525 2.319 13.721 +TER +ATOM 583 O WAT 195 16.030 18.133 10.818 +ATOM 584 H1 WAT 195 15.571 18.884 10.444 +ATOM 585 H2 WAT 195 15.402 17.413 10.759 +TER +ATOM 586 O WAT 196 2.855 14.227 13.208 +ATOM 587 H1 WAT 196 2.129 13.608 13.140 +ATOM 588 H2 WAT 196 2.916 14.621 12.338 +TER +ATOM 589 O WAT 197 6.460 16.442 9.993 +ATOM 590 H1 WAT 197 6.976 15.830 9.468 +ATOM 591 H2 WAT 197 7.110 16.944 10.484 +TER +ATOM 592 O WAT 198 9.199 17.332 10.820 +ATOM 593 H1 WAT 198 9.487 17.078 9.943 +ATOM 594 H2 WAT 198 9.712 16.780 11.410 +TER +ATOM 595 O WAT 199 10.417 1.071 11.399 +ATOM 596 H1 WAT 199 9.634 1.546 11.679 +ATOM 597 H2 WAT 199 10.123 0.167 11.291 +TER +ATOM 598 O WAT 200 14.969 1.774 9.444 +ATOM 599 H1 WAT 200 15.410 1.718 8.596 +ATOM 600 H2 WAT 200 14.700 2.690 9.515 +TER +ATOM 601 O WAT 201 16.833 1.405 7.455 +ATOM 602 H1 WAT 201 16.772 0.461 7.308 +ATOM 603 H2 WAT 201 17.612 1.513 8.000 +TER +ATOM 604 O WAT 202 1.138 17.545 6.417 +ATOM 605 H1 WAT 202 0.971 16.912 7.116 +ATOM 606 H2 WAT 202 0.272 17.750 6.067 +TER +ATOM 607 O WAT 203 1.761 1.376 3.921 +ATOM 608 H1 WAT 203 2.519 1.489 3.347 +ATOM 609 H2 WAT 203 1.299 2.213 3.875 +TER +ATOM 610 O WAT 204 8.303 3.490 6.911 +ATOM 611 H1 WAT 204 7.490 3.116 6.570 +ATOM 612 H2 WAT 204 8.807 2.735 7.213 +TER +ATOM 613 O WAT 205 12.805 0.154 8.149 +ATOM 614 H1 WAT 205 13.408 0.726 8.624 +ATOM 615 H2 WAT 205 12.064 0.718 7.927 +TER +ATOM 616 O WAT 206 15.949 0.557 3.423 +ATOM 617 H1 WAT 206 16.144 1.455 3.690 +ATOM 618 H2 WAT 206 15.162 0.325 3.916 +TER +ATOM 619 O WAT 207 2.745 16.238 3.862 +ATOM 620 H1 WAT 207 2.219 16.619 3.159 +ATOM 621 H2 WAT 207 2.669 16.863 4.583 +TER +ATOM 622 O WAT 208 4.134 1.903 2.461 +ATOM 623 H1 WAT 208 4.663 1.116 2.332 +ATOM 624 H2 WAT 208 4.767 2.582 2.694 +TER +ATOM 625 O WAT 209 6.327 1.640 5.515 +ATOM 626 H1 WAT 209 5.698 0.939 5.682 +ATOM 627 H2 WAT 209 5.788 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John D. Chodera +@author Randall J. Radmer + +All code in this repository is released under the GNU General Public License. + +This program is free software: you can redistribute it and/or modify it under +the terms of the GNU General Public License as published by the Free Software +Foundation, either version 3 of the License, or (at your option) any later +version. + +This program is distributed in the hope that it will be useful, but WITHOUT ANY +WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A +PARTICULAR PURPOSE. See the GNU General Public License for more details. + +You should have received a copy of the GNU General Public License along with +this program. If not, see . + +TODO + +* Add units checking code to check arguments. +* Change default arguments to Quantity objects, rather than None? + +""" + +import os, os.path +import numpy as np +import numpy.random +import math +import copy +import scipy.special + +from simtk import openmm +from simtk import unit +from simtk.openmm import app + +kB = unit.BOLTZMANN_CONSTANT_kB * unit.AVOGADRO_CONSTANT_NA + +#============================================================================================= +# SUBROUTINES +#============================================================================================= + +def get_data_filename(relative_path): + """Get the full path to one of the reference files in testsystems. + + In the source distribution, these files are in ``repex/data/*/``, + but on installation, they're moved to somewhere in the user's python + site-packages directory. + + Parameters + ---------- + name : str + Name of the file to load (with respect to the repex folder). + + """ + + from pkg_resources import resource_filename + fn = resource_filename('testsystems', relative_path) + + if not os.path.exists(fn): + raise ValueError("Sorry! %s does not exist. If you just added it, you'll have to re-install" % fn) + + return fn + +#============================================================================================= +# Thermodynamic state description +#============================================================================================= + +class ThermodynamicState(object): + """Object describing a thermodynamic state obeying Boltzmann statistics. + + Examples + -------- + + Specify an NVT state for a water box at 298 K. + + >>> from repex import testsystems + >>> system_container = testsystems.WaterBox() + >>> (system, positions) = system_container.system, system_container.positions + >>> state = ThermodynamicState(system=system, temperature=298.0*unit.kelvin) + + Specify an NPT state at 298 K and 1 atm pressure. + + >>> state = ThermodynamicState(system=system, temperature=298.0*unit.kelvin, pressure=1.0*unit.atmospheres) + + Note that the pressure is only relevant for periodic systems. + + A barostat will be added to the system if none is attached. + + Notes + ----- + + This state object cannot describe states obeying non-Boltzamnn statistics, such as Tsallis statistics. + + ToDo + ---- + + * Implement a more fundamental ProbabilityState as a base class? + * Implement pH. + + """ + def __init__(self, system=None, temperature=None, pressure=None): + """Construct a thermodynamic state with given system and temperature. + + Parameters + ---------- + + system : simtk.openmm.System, optional, default=None + System object describing the potential energy function for the system + temperature : simtk.unit.Quantity compatible with 'kelvin', optional, default=None + Temperature for a system with constant temperature + pressure : simtk.unit.Quantity compatible with 'atmospheres', optional, default=None + If not None, specifies the pressure for constant-pressure systems. + + + """ + + self.system = system + self.temperature = temperature + self.pressure = pressure + + return + +#============================================================================================= +# Abstract base class for test systems +#============================================================================================= + +class TestSystem(object): + """Abstract base class for test systems, demonstrating how to implement a test system. + + Parameters + ---------- + + Attributes + ---------- + system : simtk.openmm.System + Openmm system with the harmonic oscillator + positions : list + positions of harmonic oscillator + + Notes + ----- + + Unimplemented methods will default to the base class methods, which raise a NotImplementedException. + + Examples + -------- + + Create a test system. + + >>> testsystem = TestSystem() + + Retrieve System object. + + >>> system = testsystem.system + + Retrieve the positions. + + >>> positions = testsystem.positions + + Serialize system and positions to XML (to aid in debugging). + + >>> (system_xml, positions_xml) = testsystem.serialize() + + """ + def __init__(self, temperature=None, pressure=None): + """Abstract base class for test system. + + Parameters + ---------- + + temperature : simtk.unit.Quantity, optional, units compatible with simtk.unit.kelvin + The temperature of the system. + + pressure : simtk.unit.Quantity, optional, units compatible with simtk.unit.atmospheres + The pressure of the system. + + """ + + # Create an empty system object. + self._system = openmm.System() + + # Store positions. + self._positions = unit.Quantity(np.zeros([0,3], np.float), unit.nanometers) + + # Store thermodynamic parameters. + self._temperature = temperature + self._pressure = pressure + + return + + @property + def system(self): + """The simtk.openmm.System object corresponding to the test system.""" + return copy.deepcopy(self._system) + + @system.setter + def system(self, value): + self._system = value + + @system.deleter + def system(self): + del self._system + + @property + def positions(self): + """The simtk.unit.Quantity object containing the particle positions, with units compatible with simtk.unit.nanometers.""" + return copy.deepcopy(self._positions) + + @positions.setter + def positions(self, value): + self._positions = value + + @positions.deleter + def positions(self): + del self._positions + + @property + def analytical_properties(self): + """A list of available analytical properties, accessible via 'get_propertyname(thermodynamic_state)' calls.""" + return [ method[4:] for method in dir(self) if (method[0:4]=='get_') ] + + def reduced_potential_expectation(self, state_sampled_from, state_evaluated_in): + """Calculate the expected potential energy in state_sampled_from, divided by kB * T in state_evaluated_in. + + Notes + ----- + + This is not called get_reduced_potential_expectation because this function + requires two, not one, inputs. + """ + + if hasattr(self, "get_potential_expectation"): + U = self.get_potential_expectation(state_sampled_from) + U_red = U / (kB * state_evaluated_in.temperature) + return U_red + else: + raise AttributeError("Cannot return reduced potential energy because system lacks get_potential_expectation") + + def serialize(self): + """Return the System and positions in serialized XML form. + + Returns + ------- + + system_xml : str + Serialized XML form of System object. + + state_xml : str + Serialized XML form of State object containing particle positions. + + """ + + from simtk.openmm import XmlSerializer + + # Serialize System. + system_xml = XmlSerializer.serialize(self._system) + + # Serialize positions via State. + if self._system.getNumParticles() == 0: + # Cannot serialize the State of a system with no particles. + state_xml = None + else: + platform = openmm.Platform.getPlatformByName('Reference') + integrator = openmm.VerletIntegrator(1.0 * unit.femtoseconds) + context = openmm.Context(self._system, integrator, platform) + context.setPositions(self._positions) + state = context.getState(getPositions=True) + del context, integrator + state_xml = XmlSerializer.serialize(state) + + return (system_xml, state_xml) + + @property + def name(self): + """The name of the test system.""" + return self.__class__.__name__ + +#============================================================================================= +# 3D harmonic oscillator +#============================================================================================= + +class HarmonicOscillator(TestSystem): + """Create a 3D harmonic oscillator, with a single particle confined in an isotropic harmonic well. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=90.0 * unit.kilocalories_per_mole/unit.angstrom**2 + harmonic restraining potential + mass : simtk.unit.Quantity, optional, default=39.948 * unit.amu + particle mass + + Attributes + ---------- + system : simtk.openmm.System + Openmm system with the harmonic oscillator + positions : list + positions of harmonic oscillator + + Notes + ----- + + The natural period of a harmonic oscillator is T = sqrt(m/K), so you will want to use an + integration timestep smaller than ~ T/10. + + The standard deviation in position in each dimension is sigma = (kT / K)^(1/2) + + The expectation and standard deviation of the potential energy of a 3D harmonic oscillator is (3/2)kT. + + Examples + -------- + + Create a 3D harmonic oscillator with default parameters: + + >>> ho = HarmonicOscillator() + >>> (system, positions) = ho.system, ho.positions + + Create a harmonic oscillator with specified mass and spring constant: + + >>> mass = 12.0 * unit.amu + >>> K = 1.0 * unit.kilocalories_per_mole / unit.angstroms**2 + >>> ho = HarmonicOscillator(K=K, mass=mass) + >>> (system, positions) = ho.system, ho.positions + + Get a list of the available analytically-computed properties. + + >>> print ho.analytical_properties + ['potential_expectation', 'potential_standard_deviation'] + + Compute the potential expectation and standard deviation + + >>> import simtk.unit as u + >>> thermodynamic_state = ThermodynamicState(temperature=298.0*u.kelvin, system=system) + >>> potential_mean = ho.get_potential_expectation(thermodynamic_state) + >>> potential_stddev = ho.get_potential_standard_deviation(thermodynamic_state) + + """ + + def __init__(self, K=100.0 * unit.kilocalories_per_mole / unit.angstroms**2, mass=39.948 * unit.amu, **kwargs): + + TestSystem.__init__(self, kwargs) + + # Create an empty system object. + system = openmm.System() + + # Add the particle to the system. + system.addParticle(mass) + + # Set the positions. + positions = unit.Quantity(np.zeros([1,3], np.float32), unit.angstroms) + + # Add a restrining potential centered at the origin. + force = openmm.CustomExternalForce('(K/2.0) * (x^2 + y^2 + z^2)') + force.addGlobalParameter('K', K) + force.addParticle(0, []) + system.addForce(force) + + self.K, self.mass = K, mass + self.system, self.positions = system, positions + + # Number of degrees of freedom. + self.ndof = 3 + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (3./2.) * kB * state.temperature + + def get_potential_standard_deviation(self, state): + """Return the standard deviation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_stddev : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + potential energy standard deviation if implemented, or else None + + """ + + return (3./2.) * kB * state.temperature + +class PowerOscillator(TestSystem): + """Create a 3D Power oscillator, with a single particle confined in an isotropic x^b well. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=100.0 + harmonic restraining potential. The units depend on the power, + so we accept unitless inputs and add units of the form + unit.kilocalories_per_mole / unit.angstrom ** b + mass : simtk.unit.Quantity, optional, default=39.948 * unit.amu + particle mass + + Attributes + ---------- + system : simtk.openmm.System + Openmm system with the harmonic oscillator + positions : list + positions of harmonic oscillator + + Notes + ----- + + Here we assume a potential energy of the form U(x) = k * x^b. + + By the generalized equipartition theorem, the expectation of the + potential energy is 3 kT / b. + + """ + + def __init__(self, K=100.0, b=2.0, mass=39.948 * unit.amu, **kwargs): + + TestSystem.__init__(self, kwargs) + + K = K * unit.kilocalories_per_mole / unit.angstroms ** b + + # Create an empty system object. + system = openmm.System() + + # Add the particle to the system. + system.addParticle(mass) + + # Set the positions. + positions = unit.Quantity(np.zeros([1,3], np.float32), unit.angstroms) + + # Add a restrining potential centered at the origin. + force = openmm.CustomExternalForce('(K) * (x^%d + y^%d + z^%d)' %(b, b, b)) + force.addGlobalParameter('K', K) + force.addParticle(0, []) + system.addForce(force) + + self.K, self.mass = K, mass + self.b = b + self.system, self.positions = system, positions + + # Number of degrees of freedom. + self.ndof = 3 + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (3.) * kB * state.temperature / self.b + + def _get_power_expectation(self, state, n): + """Return the power of x^n. Not currently used""" + b = 1.0 * self.b + beta = (1.0 * kB * state.temperature) ** -1. + gamma = scipy.special.gamma + return (self.K * beta) ** (-n / b) * gamma((n + 1.) / b) / gamma(1. / b) + + @classmethod + def reduced_potential(cls, beta, a, b, a2, b2): + gamma = scipy.special.gamma + reduced_u = 3 * a2 * (a * beta) ** (-b2 / b) * gamma((b2 + 1.) / b) / gamma(1. / b) * beta + return reduced_u + +#============================================================================================= +# Diatomic molecule +#============================================================================================= + +class Diatom(TestSystem): + """Create a free diatomic molecule with a single harmonic bond between the two atoms. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=290.1 * unit.kilocalories_per_mole / unit.angstrom**2 + harmonic bond potential. default is GAFF c-c bond + r0 : simtk.unit.Quantity, optional, default=1.550 * unit.amu + bond length. Default is Amber GAFF c-c bond. + constraint : bool, default=False + if True, the bond length will be constrained + m1 : simtk.unit.Quantity, optional, default=12.01 * unit.amu + particle1 mass + m2 : simtk.unit.Quantity, optional, default=12.01 * unit.amu + particle2 mass + use_central_potential : bool, optional, default=False + if True, a soft central potential will also be added to keep the system from drifting away + + + Notes + ----- + + The natural period of a harmonic oscillator is T = sqrt(m/K), so you will want to use an + integration timestep smaller than ~ T/10. + + Examples + -------- + + Create a Diatom: + + >>> diatom = Diatom() + >>> system, positions = diatom.system, diatom.positions + + Create a Diatom with constraint in a central potential + >>> diatom = Diatom(constraint=True, use_central_potential=True) + >>> system, positions = diatom.system, diatom.positions + + """ + + def __init__(self, + K=290.1 * unit.kilocalories_per_mole / unit.angstrom**2, + r0=1.550 * unit.angstroms, + m1=39.948 * unit.amu, + m2=39.948 * unit.amu, + constraint=False, + use_central_potential=False): + + # Create an empty system object. + system = openmm.System() + + # Add two particles to the system. + system.addParticle(m1) + system.addParticle(m2) + + # Add a harmonic bond. + force = openmm.HarmonicBondForce() + force.addBond(0, 1, r0, K) + system.addForce(force) + + if constraint: + # Add constraint between particles. + system.addConstraint(0, 1, r0) + + # Set the positions. + positions = unit.Quantity(np.zeros([2,3], np.float32), unit.angstroms) + positions[1,0] = r0 + + if use_central_potential: + # Add a central restraining potential. + Kcentral = 1.0 * unit.kilocalories_per_mole / unit.nanometer**2 + force = openmm.CustomExternalForce('(Kcentral/2.0) * (x^2 + y^2 + z^2)') + force.addGlobalParameter('Kcentral', Kcentral) + force.addParticle(0, []) + force.addParticle(1, []) + system.addForce(force) + + self.system, self.positions = system, positions + self.K, self.r0, self.m1, self.m2, self.constraint, self.use_central_potential = K, r0, m1, m2, constraint, use_central_potential + + # Store number of degrees of freedom. + self.ndof = 6 - 1*constraint + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (self.ndof/2.) * kB * state.temperature + +#============================================================================================= +# Diatomic fluid +#============================================================================================= + +class DiatomicFluid(TestSystem): + """Create a diatomic fluid. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=290.1 * unit.kilocalories_per_mole / unit.angstrom**2 + harmonic bond potential. default is GAFF c-c bond + r0 : simtk.unit.Quantity, optional, default=1.550 * unit.amu + bond length. Default is Amber GAFF c-c bond. + constraint : bool, default=False + if True, the bond length will be constrained + m1 : simtk.unit.Quantity, optional, default=12.01 * unit.amu + particle1 mass + m2 : simtk.unit.Quantity, optional, default=12.01 * unit.amu + particle2 mass + epsilon : simtk.unit.Quantity, optional, default=0.1700 * unit.kilocalories_per_mole + particle Lennard-Jones well depth + sigma : simtk.unit.Quantity, optional, default=1.8240 * unit.angstroms + particle Lennard-Jones sigma + charge : simtk.unit.Quantity, optional, default=0.0 * unit.elementary_charge + charge to place on atomic centers to create a dipole + cutoff : simtk.unit.Quantity, optional, default=None + if specified, the specified cutoff will be used; otherwise, half the box width will be used + switch : bool, optional, default=True + flag to use nonbonded switching function + switch_width : simtk.unit.Quantity with units compatible with angstroms, optional, default=0.2*unit.angstroms + switching function is turned on at cutoff - switch_width + dispersion_correction : bool, optional, default=True + if True, will use analytical dispersion correction (if not using switching function) + nx, ny, nz : int, optional, default=6 + number of molecules in x, y, and z dimension + + + Notes + ----- + + The natural period of a harmonic oscillator is T = sqrt(m/K), so you will want to use an + integration timestep smaller than ~ T/10. + + Examples + -------- + + Create an uncharged Diatomic fluid. + + >>> diatom = DiatomicFluid() + >>> system, positions = diatom.system, diatom.positions + + Create a dipolar fluid. + + >>> diatom = DiatomicFluid(charge=1.0*unit.elementary_charge) + >>> system, positions = diatom.system, diatom.positions + + Create a Diatomic fluid with constraints instead of harmonic bonds + + >>> diatom = DiatomicFluid(constraint=True) + >>> system, positions = diatom.system, diatom.positions + + Specify a different system size. + + >>> diatom = DiatomicFluid(constraint=True, nx=8, ny=8, nz=8) + >>> system, positions = diatom.system, diatom.positions + + TODO + ---- + + Add subrandom selection of orientations. + Add multiple electrostatics treatments. + + """ + + def __init__(self, + K=424.0* unit.kilocalories_per_mole / unit.angstrom**2, + r0=1.383 * unit.angstroms, + m1=14.01 * unit.amu, + m2=14.01 * unit.amu, + epsilon=0.1700 * unit.kilocalories_per_mole, + sigma=1.8240 * unit.angstroms, + charge=0.0 * unit.elementary_charge, + switch=True, + switch_width=0.5*unit.angstroms, + cutoff=None, + constraint=False, + dispersion_correction=True, + nx=7, ny=7, nz=7): + + nmolecules = nx * ny * nz + natoms = 2 * nmolecules + + # Create an empty system object. + system = openmm.System() + + # Add particles to the system. + for molecule_index in range(nmolecules): + system.addParticle(m1) + system.addParticle(m2) + + if constraint: + # Add constraint between particles. + for molecule_index in range(nmolecules): + system.addConstraint(2*molecule_index+0, 2*molecule_index+1, r0) + else: + # Add a harmonic bonds. + force = openmm.HarmonicBondForce() + for molecule_index in range(nmolecules): + force.addBond(2*molecule_index+0, 2*molecule_index+1, r0, K) + system.addForce(force) + + # Set up nonbonded interactions. + nb = openmm.NonbondedForce() + + positions = unit.Quantity(np.zeros([natoms,3],np.float32), unit.angstrom) + + maxX = 0.0 * unit.angstrom + maxY = 0.0 * unit.angstrom + maxZ = 0.0 * unit.angstrom + + dx = r0/2 + dy = 0 * sigma + dz = 0 * sigma + + scaleStepSizeX = 2.0 + scaleStepSizeY = 2.0 + scaleStepSizeZ = 2.0 + + atom_index = 0 + for ii in range(nx): + for jj in range(ny): + for kk in range(nz): + # Compute particle center. + x = sigma*scaleStepSizeX*ii + y = sigma*scaleStepSizeY*jj + z = sigma*scaleStepSizeZ*kk + + # Add particle 1. + nb.addParticle(+charge, sigma, epsilon) + + positions[atom_index,0] = x - dx + positions[atom_index,1] = y - dy + positions[atom_index,2] = z - dz + atom_index += 1 + + # Add particle 2. + nb.addParticle(-charge, sigma, epsilon) + + positions[atom_index,0] = x + dx + positions[atom_index,1] = y + dy + positions[atom_index,2] = z + dz + atom_index += 1 + + # Wrap center positions as needed. + if x>maxX: maxX = x + if y>maxY: maxY = y + if z>maxZ: maxZ = z + + # Add exceptions. + for molecule_index in range(nmolecules): + nb.addException(2*molecule_index+0, 2*molecule_index+1, 0.0*charge*charge, sigma, 0.0*epsilon) + + system.addForce(nb) + + # Set periodic box vectors. + x = maxX+2*sigma*scaleStepSizeX + y = maxY+2*sigma*scaleStepSizeY + z = maxZ+2*sigma*scaleStepSizeZ + + if not cutoff: + min_width = min(maxX, maxY, maxZ) + cutoff = min_width / 2.0 - 0.01 * unit.angstroms + + nb.setNonbondedMethod(openmm.NonbondedForce.PME) + nb.setUseDispersionCorrection(dispersion_correction) + nb.setUseSwitchingFunction(switch) + nb.setCutoffDistance(cutoff) + nb.setSwitchingDistance(cutoff-switch_width) + + a = unit.Quantity((x, 0*unit.angstrom, 0*unit.angstrom)) + b = unit.Quantity((0*unit.angstrom, y, 0*unit.angstrom)) + c = unit.Quantity((0*unit.angstrom, 0*unit.angstrom, z)) + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Store number of degrees of freedom. + self.ndof = 3*natoms - nmolecules*constraint + + # Store system and positions. + self._system = system + self._positions = positions + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (self.ndof/2.) * kB * state.temperature + + +class UnconstrainedDiatomicFluid(DiatomicFluid): + """ + Examples + -------- + + Create an unconstrained diatomic fluid. + + >>> test = UnconstrainedDiatomicFluid() + >>> system, positions = test.system, test.positions + + """ + def __init__(self, *args, **kwargs): + super(UnconstrainedDiatomicFluid, self).__init__(constraint=False, *args, **kwargs) + +class ConstrainedDiatomicFluid(DiatomicFluid): + """ + Examples + -------- + + Create an constrained diatomic fluid. + + >>> test = ConstrainedDiatomicFluid() + >>> system, positions = test.system, test.positions + + """ + def __init__(self, *args, **kwargs): + super(ConstrainedDiatomicFluid, self).__init__(constraint=True, *args, **kwargs) + +class DipolarFluid(DiatomicFluid): + """ + Examples + -------- + + Create a dipolar fluid. + + >>> test = DipolarFluid() + >>> system, positions = test.system, test.positions + + """ + def __init__(self, *args, **kwargs): + super(DipolarFluid, self).__init__(charge=0.25*unit.elementary_charge, *args, **kwargs) + +class UnconstrainedDipolarFluid(DipolarFluid): + """ + Examples + -------- + + Create a dipolar fluid. + + >>> test = UnconstrainedDipolarFluid() + >>> system, positions = test.system, test.positions + + """ + def __init__(self, *args, **kwargs): + super(UnconstrainedDipolarFluid, self).__init__(constraint=False, *args, **kwargs) + +class ConstrainedDipolarFluid(DipolarFluid): + """ + Examples + -------- + + Create a dipolar fluid. + + >>> test = ConstrainedDipolarFluid() + >>> system, positions = test.system, test.positions + + """ + def __init__(self, *args, **kwargs): + super(ConstrainedDipolarFluid, self).__init__(constraint=True, *args, **kwargs) + +#============================================================================================= +# Constraint-coupled harmonic oscillator +#============================================================================================= + +class ConstraintCoupledHarmonicOscillator(TestSystem): + """Create a pair of particles in 3D harmonic oscillator wells, coupled by a constraint. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=1.0 * unit.kilojoules_per_mole / unit.nanometer**2 + harmonic restraining potential + d : simtk.unit.Quantity, optional, default=1.0 * unit.nanometer + distance between harmonic oscillators. Default is Amber GAFF c-c bond. + mass : simtk.unit.Quantity, default=39.948 * unit.amu + particle mass + + Attributes + ---------- + system : simtk.openmm.System + positions : list + + Notes + ----- + + The natural period of a harmonic oscillator is T = sqrt(m/K), so you will want to use an + integration timestep smaller than ~ T/10. + + Examples + -------- + + Create a constraint-coupled harmonic oscillator with specified mass, distance, and spring constant. + + >>> ccho = ConstraintCoupledHarmonicOscillator() + >>> mass = 12.0 * unit.amu + >>> d = 5.0 * unit.angstroms + >>> K = 1.0 * unit.kilocalories_per_mole / unit.angstroms**2 + >>> ccho = ConstraintCoupledHarmonicOscillator(K=K, d=d, mass=mass) + >>> system, positions = ccho.system, ccho.positions + """ + + def __init__(self, + K=1.0 * unit.kilojoules_per_mole/unit.nanometer**2, + d=1.0 * unit.nanometer, + mass=39.948 * unit.amu): + + # Create an empty system object. + system = openmm.System() + + # Add particles to the system. + system.addParticle(mass) + system.addParticle(mass) + + # Set the positions. + positions = unit.Quantity(np.zeros([2,3], np.float32), unit.angstroms) + positions[1,0] = d + + # Add a restrining potential centered at the origin. + force = openmm.CustomExternalForce('(K/2.0) * ((x-d)^2 + y^2 + z^2)') + force.addGlobalParameter('K', K) + force.addPerParticleParameter('d') + force.addParticle(0, [0.0]) + force.addParticle(1, [d / unit.nanometers]) + system.addForce(force) + + # Add constraint between particles. + system.addConstraint(0, 1, d) + + # Add a harmonic bond force as well so minimization will roughly satisfy constraints. + force = openmm.HarmonicBondForce() + K = 10.0 * unit.kilocalories_per_mole / unit.angstrom**2 # force constant + force.addBond(0, 1, d, K) + system.addForce(force) + + self.system, self.positions = system, positions + self.K, self.d, self.mass = K, d, mass + +#============================================================================================= +# Harmonic oscillator array +#============================================================================================= + +class HarmonicOscillatorArray(TestSystem): + """Create a 1D array of noninteracting particles in 3D harmonic oscillator wells. + + Parameters + ---------- + K : simtk.unit.Quantity, optional, default=90.0 * unit.kilocalories_per_mole/unit.angstroms**2 + harmonic restraining potential + d : simtk.unit.Quantity, optional, default=1.0 * unit.nanometer + distance between harmonic oscillators. Default is Amber GAFF c-c bond. + mass : simtk.unit.Quantity, default=39.948 * unit.amu + particle mass + N : int, optional, default=5 + Number of harmonic oscillators + + Attributes + ---------- + system : simtk.openmm.System + positions : list + + Notes + ----- + + The natural period of a harmonic oscillator is T = sqrt(m/K), so you will want to use an + integration timestep smaller than ~ T/10. + + Examples + -------- + + Create a constraint-coupled 3D harmonic oscillator with default parameters. + + >>> ho_array = HarmonicOscillatorArray() + >>> mass = 12.0 * unit.amu + >>> d = 5.0 * unit.angstroms + >>> K = 1.0 * unit.kilocalories_per_mole / unit.angstroms**2 + >>> ccho = HarmonicOscillatorArray(K=K, d=d, mass=mass) + >>> system, positions = ccho.system, ccho.positions + """ + + def __init__(self, K=90.0 * unit.kilocalories_per_mole/unit.angstroms**2, + d=1.0 * unit.nanometer, + mass=39.948 * unit.amu , + N=5): + + # Create an empty system object. + system = openmm.System() + + # Add particles to the system. + for n in range(N): + system.addParticle(mass) + + # Set the positions for a 1D array of particles spaced d apart along the x-axis. + positions = unit.Quantity(np.zeros([N,3], np.float32), unit.angstroms) + for n in range(N): + positions[n,0] = n*d + + # Add a restrining potential for each oscillator. + force = openmm.CustomExternalForce('(K/2.0) * ((x-x0)^2 + y^2 + z^2)') + force.addGlobalParameter('K', K) + force.addPerParticleParameter('x0') + for n in range(N): + parameters = (d*n / unit.nanometers, ) + force.addParticle(n, parameters) + system.addForce(force) + + self.system, self.positions = system, positions + self.K, self.d, self.mass, self.N = K, d, mass, N + self.ndof = 3*N + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (self.ndof/2.) * kB * state.temperature + + def get_potential_standard_deviation(self, state): + """Return the standard deviation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_stddev : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + potential energy standard deviation if implemented, or else None + + """ + + return (self.ndof/2.) * kB * state.temperature + +#============================================================================================= +# Sodium chloride FCC crystal. +#============================================================================================= + +class SodiumChlorideCrystal(TestSystem): + """Create an FCC crystal of sodium chloride. + + Each atom is represented by a charged Lennard-Jones sphere in an Ewald lattice. + + switch : bool, optional, default=True + flag to use nonbonded switching function + switch_width : simtk.unit.Quantity with units compatible with angstroms, optional, default=0.2*unit.angstroms + switching function is turned on at cutoff - switch_width + dispersion_correction : bool, optional, default=True + if True, will use analytical dispersion correction (if not using switching function) + + Notes + ----- + + TODO + + * Lennard-Jones interactions aren't correctly being included now, due to LJ cutoff. Fix this by hard-coding LJ interactions? + * Add nx, ny, nz arguments to allow user to specify replication of crystal unit in x,y,z. + * Choose more appropriate lattice parameters and lattice spacing. + + Examples + -------- + + Create sodium chloride crystal unit. + + >>> crystal = SodiumChlorideCrystal() + >>> system, positions = crystal.system, crystal.positions + """ + def __init__(self, switch=True, switch_width=0.2*unit.angstroms, dispersion_correction=True): + # Set default parameters (from Tinker). + mass_Na = 22.990 * unit.amu + mass_Cl = 35.453 * unit.amu + q_Na = 1.0 * unit.elementary_charge + q_Cl =-1.0 * unit.elementary_charge + sigma_Na = 3.330445 * unit.angstrom + sigma_Cl = 4.41724 * unit.angstrom + epsilon_Na = 0.002772 * unit.kilocalorie_per_mole + epsilon_Cl = 0.118 * unit.kilocalorie_per_mole + + # Create system + system = openmm.System() + + # Set box vectors. + box_size = 5.628 * unit.angstroms # box width + a = unit.Quantity(np.zeros([3]), unit.nanometers); a[0] = box_size + b = unit.Quantity(np.zeros([3]), unit.nanometers); b[1] = box_size + c = unit.Quantity(np.zeros([3]), unit.nanometers); c[2] = box_size + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Create nonbonded force term. + force = openmm.NonbondedForce() + + # Set interactions to be periodic Ewald. + force.setNonbondedMethod(openmm.NonbondedForce.Ewald) + + # Set cutoff to be less than one half the box length. + cutoff = box_size / 2.0 * 0.99 + force.setCutoffDistance(cutoff) + + # Set treatment. + force.setUseDispersionCorrection(dispersion_correction) + force.setUseSwitchingFunction(switch) + force.setSwitchingDistance(cutoff-switch_width) + + # Allocate storage for positions. + natoms = 2 + positions = unit.Quantity(np.zeros([natoms,3], np.float32), unit.angstroms) + + # Add sodium ion. + system.addParticle(mass_Na) + force.addParticle(q_Na, sigma_Na, epsilon_Na) + positions[0,0] = 0.0 * unit.angstrom + positions[0,1] = 0.0 * unit.angstrom + positions[0,2] = 0.0 * unit.angstrom + + # Add chloride atom. + system.addParticle(mass_Cl) + force.addParticle(q_Cl, sigma_Cl, epsilon_Cl) + positions[1,0] = 2.814 * unit.angstrom + positions[1,1] = 2.814 * unit.angstrom + positions[1,2] = 2.814 * unit.angstrom + + # Add nonbonded force term to the system. + system.addForce(force) + + self.system, self.positions = system, positions + +#============================================================================================= +# Lennard-Jones cluster +#============================================================================================= + +class LennardJonesCluster(TestSystem): + """Create a non-periodic rectilinear grid of Lennard-Jones particles in a harmonic restraining potential. + + Parameters + ---------- + nx : int, optional, default=3 + number of particles in the x direction + ny : int, optional, default=3 + number of particles in the y direction + nz : int, optional, default=3 + number of particles in the z direction + K : simtk.unit.Quantity, optional, default=1.0 * unit.kilojoules_per_mole/unit.nanometer**2 + harmonic restraining potential + + Examples + -------- + + Create Lennard-Jones cluster. + + >>> cluster = LennardJonesCluster() + >>> system, positions = cluster.system, cluster.positions + + Create default 3x3x3 Lennard-Jones cluster in a harmonic restraining potential. + + >>> cluster = LennardJonesCluster(nx=10, ny=10, nz=10) + >>> system, positions = cluster.system, cluster.positions + """ + def __init__(self, nx=3, ny=3, nz=3, K=1.0 * unit.kilojoules_per_mole/unit.nanometer**2): + + # Default parameters + mass_Ar = 39.9 * unit.amu + q_Ar = 0.0 * unit.elementary_charge + sigma_Ar = 3.350 * unit.angstrom + epsilon_Ar = 0.001603 * unit.kilojoule_per_mole + + scaleStepSizeX = 1.0 + scaleStepSizeY = 1.0 + scaleStepSizeZ = 1.0 + + # Determine total number of atoms. + natoms = nx * ny * nz + + # Create an empty system object. + system = openmm.System() + + # Create a NonbondedForce object with no cutoff. + nb = openmm.NonbondedForce() + nb.setNonbondedMethod(openmm.NonbondedForce.NoCutoff) + + positions = unit.Quantity(np.zeros([natoms,3],np.float32), unit.angstrom) + + atom_index = 0 + for ii in range(nx): + for jj in range(ny): + for kk in range(nz): + system.addParticle(mass_Ar) + nb.addParticle(q_Ar, sigma_Ar, epsilon_Ar) + x = sigma_Ar*scaleStepSizeX*(ii - nx/2.0) + y = sigma_Ar*scaleStepSizeY*(jj - ny/2.0) + z = sigma_Ar*scaleStepSizeZ*(kk - nz/2.0) + + positions[atom_index,0] = x + positions[atom_index,1] = y + positions[atom_index,2] = z + atom_index += 1 + + # Add the nonbonded force. + system.addForce(nb) + + # Add a restrining potential centered at the origin. + energy_expression = '(K/2.0) * (x^2 + y^2 + z^2);' + energy_expression += 'K = %f;' % (K / (unit.kilojoules_per_mole / unit.nanometers**2)) # in OpenMM units + force = openmm.CustomExternalForce(energy_expression) + #force.addGlobalParameter('K', K) + for particle_index in range(natoms): + force.addParticle(particle_index, []) + system.addForce(force) + + self.system, self.positions = system, positions + +#============================================================================================= +# Lennard-Jones fluid +#============================================================================================= + +class LennardJonesFluid(TestSystem): + """Create a periodic rectilinear grid of Lennard-Jones particles. + Parameters for argon are used by default. Cutoff is set to 3 sigma by default. + + Parameters + ---------- + nx : int, optional, default=6 + number of particles in the x direction + ny : int, optional, default=6 + number of particles in the y direction + nz : int, optional, default=6 + number of particles in the z direction + mass : simtk.unit.Quantity, optional, default=39.9 * unit.amu + mass of each particle. + sigma : simtk.unit.Quantity, optional, default=3.4 * unit.angstrom + Lennard-Jones sigma parameter + epsilon : simtk.unit.Quantity, optional, default=0.238 * unit.kilocalories_per_mole + Lennard-Jones well depth + cutoff : simtk.unit.Quantity, optional, default=None + Cutoff for nonbonded interactions. If None, defaults to 2.5 * sigma + switch : simtk.unit.Quantity, optional, default=1.0 * unit.kilojoules_per_mole/unit.nanometer**2 + if specified, the switching function will be turned on at this distance (default: None) + switch_width : simtk.unit.Quantity with units compatible with angstroms, optional, default=0.2*unit.angstroms + switching function is turned on at cutoff - switch_width + dispersion_correction : bool, optional, default=True + if True, will use analytical dispersion correction (if not using switching function) + + Examples + -------- + + Create default-size Lennard-Jones fluid. + + >>> fluid = LennardJonesFluid() + >>> system, positions = fluid.system, fluid.positions + + Create a larger 10x8x5 box of Lennard-Jones particles. + + >>> fluid = LennardJonesFluid(nx=10, ny=8, nz=5) + >>> system, positions = fluid.system, fluid.positions + + Create Lennard-Jones fluid using switched particle interactions (switched off betwee 7 and 9 A) and more particles. + + >>> fluid = LennardJonesFluid(nx=10, ny=10, nz=10, switch=True, switch_width=7.0*unit.angstroms, cutoff=9.0*unit.angstroms) + >>> system, positions = fluid.system, fluid.positions + """ + + def __init__(self, nx=6, ny=6, nz=6, + mass=39.9 * unit.amu, # argon + sigma=3.4 * unit.angstrom, # argon, + epsilon=0.238 * unit.kilocalories_per_mole, # argon, + cutoff=None, + switch=False, + switch_width=0.2*unit.angstrom, + dispersion_correction=True): + + if cutoff is None: + cutoff = 2.5 * sigma + + charge = 0.0 * unit.elementary_charge + + scaleStepSizeX = 1.0 + scaleStepSizeY = 1.0 + scaleStepSizeZ = 1.0 + + # Determine total number of atoms. + natoms = nx * ny * nz + + # Create an empty system object. + system = openmm.System() + + # Set up periodic nonbonded interactions with a cutoff. + nb = openmm.NonbondedForce() + nb.setNonbondedMethod(openmm.NonbondedForce.CutoffPeriodic) + nb.setCutoffDistance(cutoff) + nb.setUseDispersionCorrection(dispersion_correction) + nb.setUseSwitchingFunction(switch) + nb.setSwitchingDistance(cutoff-switch_width) + + positions = unit.Quantity(np.zeros([natoms,3],np.float32), unit.angstrom) + + maxX = 0.0 * unit.angstrom + maxY = 0.0 * unit.angstrom + maxZ = 0.0 * unit.angstrom + + atom_index = 0 + for ii in range(nx): + for jj in range(ny): + for kk in range(nz): + system.addParticle(mass) + nb.addParticle(charge, sigma, epsilon) + x = sigma*scaleStepSizeX*ii + y = sigma*scaleStepSizeY*jj + z = sigma*scaleStepSizeZ*kk + + positions[atom_index,0] = x + positions[atom_index,1] = y + positions[atom_index,2] = z + atom_index += 1 + + # Wrap positions as needed. + if x>maxX: maxX = x + if y>maxY: maxY = y + if z>maxZ: maxZ = z + + # Set periodic box vectors. + x = maxX+2*sigma*scaleStepSizeX + y = maxY+2*sigma*scaleStepSizeY + z = maxZ+2*sigma*scaleStepSizeZ + + a = unit.Quantity((x, 0*unit.angstrom, 0*unit.angstrom)) + b = unit.Quantity((0*unit.angstrom, y, 0*unit.angstrom)) + c = unit.Quantity((0*unit.angstrom, 0*unit.angstrom, z)) + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Add the nonbonded force. + system.addForce(nb) + + self.system, self.positions = system, positions + +#============================================================================================= +# Custom Lennard-Jones fluid mixture of NonbondedForce and CustomNonbondedForce +#============================================================================================= + +class CustomLennardJonesFluidMixture(TestSystem): + """Create a periodic rectilinear grid of Lennard-Jones particled, but implemented via CustomBondForce and NonbondedForce. + Parameters for argon are used by default. Cutoff is set to 3 sigma by default. + + Parameters + ---------- + nx : int, optional, default=6 + number of particles in the x direction + ny : int, optional, default=6 + number of particles in the y direction + nz : int, optional, default=6 + number of particles in the z direction + mass : simtk.unit.Quantity, optional, default=39.9 * unit.amu + mass of each particle. + sigma : simtk.unit.Quantity, optional, default=3.4 * unit.angstrom + Lennard-Jones sigma parameter + epsilon : simtk.unit.Quantity, optional, default=0.238 * unit.kilocalories_per_mole + Lennard-Jones well depth + cutoff : simtk.unit.Quantity, optional, default=None + Cutoff for nonbonded interactions. If None, defaults to 2.5 * sigma + switch : simtk.unit.Quantity, optional, default=1.0 * unit.kilojoules_per_mole/unit.nanometer**2 + if specified, the switching function will be turned on at this distance (default: None) + switch_width : simtk.unit.Quantity with units compatible with angstroms, optional, default=0.2*unit.angstroms + switching function is turned on at cutoff - switch_width + dispersion_correction : bool, optional, default=True + if True, will use analytical dispersion correction (if not using switching function) + + Notes + ----- + + No analytical dispersion correction is included here. + + Examples + -------- + + Create default-size Lennard-Jones fluid. + + >>> fluid = CustomLennardJonesFluidMixture() + >>> system, positions = fluid.system, fluid.positions + + Create a larger 10x8x5 box of Lennard-Jones particles. + + >>> fluid = CustomLennardJonesFluidMixture(nx=10, ny=8, nz=5) + >>> system, positions = fluid.system, fluid.positions + + Create Lennard-Jones fluid using switched particle interactions (switched off betwee 7 and 9 A) and more particles. + + >>> fluid = CustomLennardJonesFluidMixture(nx=10, ny=10, nz=10, switch=True, switch_width=7.0*unit.angstroms, cutoff=9.0*unit.angstroms) + >>> system, positions = fluid.system, fluid.positions + """ + + def __init__(self, nx=6, ny=6, nz=6, + mass=39.9 * unit.amu, # argon + sigma=3.4 * unit.angstrom, # argon, + epsilon=0.238 * unit.kilocalories_per_mole, # argon, + cutoff=None, + switch=False, + switch_width=0.2*unit.angstroms, + dispersion_correction=True): + + if cutoff is None: + cutoff = 2.5 * sigma + + charge = 0.0 * unit.elementary_charge + scaleStepSizeX = 1.0 + scaleStepSizeY = 1.0 + scaleStepSizeZ = 1.0 + + charge = 0.0 * unit.elementary_charge + + # Determine total number of atoms. + natoms = nx * ny * nz + + # determine number of atoms that will be treated by CustomNonbondedForce + ncustom = int(natoms/2) + + # Create an empty system object. + system = openmm.System() + + # Set up periodic nonbonded interactions with a cutoff. + nb = openmm.NonbondedForce() + nb.setNonbondedMethod(openmm.NonbondedForce.CutoffPeriodic) + nb.setCutoffDistance(cutoff) + nb.setUseDispersionCorrection(dispersion_correction) + nb.setUseSwitchingFunction(switch) + nb.setSwitchingDistance(cutoff-switch_width) + + # Set up periodic nonbonded interactions with a cutoff. + if switch: + energy_expression = "LJ * S;" + energy_expression += "LJ = 4*epsilon*((sigma/r)^12 - (sigma/r)^6);" + energy_expression += "sigma = 0.5*(sigma1+sigma2);" + energy_expression += "epsilon = sqrt(epsilon1*epsilon2);" + energy_expression += "S = (cutoff^2 - r^2)^2 * (cutoff^2 + 2*r^2 - 3*switch^2) / (cutoff^2 - switch^2)^3;" + cnb = openmm.CustomNonbondedForce(energy_expression) + cnb.addGlobalParameter('switch', switch) + cnb.addGlobalParameter('cutoff', cutoff) + cnb.addPerParticleParameter('q') + cnb.addPerParticleParameter('sigma') + cnb.addPerParticleParameter('epsilon') + cnb.setNonbondedMethod(openmm.CustomNonbondedForce.CutoffPeriodic) + cnb.setCutoffDistance(cutoff) + else: + energy_expression = "4*epsilon*((sigma/r)^12 - (sigma/r)^6);" + cnb = openmm.CustomNonbondedForce(energy_expression) + cnb.addGlobalParameter('sigma', sigma) + cnb.addGlobalParameter('epsilon', epsilon) + cnb.setNonbondedMethod(openmm.CustomNonbondedForce.CutoffPeriodic) + cnb.setCutoffDistance(cutoff) + # Only add interactions between first atom and rest. + #atomset1 = range(0, 1) + #atomset2 = range(1, natoms) + #cnb.addInteractionGroup(atomset1, atomset2) + + positions = unit.Quantity(np.zeros([natoms,3],np.float32), unit.angstrom) + + maxX = 0.0 * unit.angstrom + maxY = 0.0 * unit.angstrom + maxZ = 0.0 * unit.angstrom + + atom_index = 0 + for ii in range(nx): + for jj in range(ny): + for kk in range(nz): + system.addParticle(mass) + if (atom_index < ncustom): + cnb.addParticle([charge, sigma, epsilon]) + nb.addParticle(0.0*charge, sigma, 0.0*epsilon) + else: + cnb.addParticle([0.0*charge, sigma, 0.0*epsilon]) + nb.addParticle(charge, sigma, epsilon) + x = sigma*scaleStepSizeX*ii + y = sigma*scaleStepSizeY*jj + z = sigma*scaleStepSizeZ*kk + + positions[atom_index,0] = x + positions[atom_index,1] = y + positions[atom_index,2] = z + atom_index += 1 + + # Wrap positions as needed. + if x>maxX: maxX = x + if y>maxY: maxY = y + if z>maxZ: maxZ = z + + # Set periodic box vectors. + x = maxX+2*sigma*scaleStepSizeX + y = maxY+2*sigma*scaleStepSizeY + z = maxZ+2*sigma*scaleStepSizeZ + + a = unit.Quantity((x, 0*unit.angstrom, 0*unit.angstrom)) + b = unit.Quantity((0*unit.angstrom, y, 0*unit.angstrom)) + c = unit.Quantity((0*unit.angstrom, 0*unit.angstrom, z)) + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Add the nonbonded forces. + system.addForce(nb) + system.addForce(cnb) + + # Add long-range correction. + if switch: + # TODO + pass + else: + volume = x*y*z + density = natoms / volume + per_particle_dispersion_energy = -(8./3.)*math.pi*epsilon*(sigma**6)/(cutoff**3)*density # attraction + per_particle_dispersion_energy += (8./9.)*math.pi*epsilon*(sigma**12)/(cutoff**9)*density # repulsion + energy_expression = "%f" % (per_particle_dispersion_energy / unit.kilojoules_per_mole) + force = openmm.CustomExternalForce(energy_expression) + for i in range(natoms): + force.addParticle(i, []) + system.addForce(force) + + self.system, self.positions = system, positions + + +#============================================================================================= +# WCA Fluid +#============================================================================================= + +class WCAFluid(TestSystem): + + def __init__(self, N=216, density=0.96, mass=39.9*unit.amu, epsilon=120.0*unit.kelvin*kB, sigma=3.4*unit.angstrom): + """ + Create a Weeks-Chandler-Andersen system. + + Parameters: + ----------- + N : int, optional, default = 216 + Number of particles. + density : float, optional, default = 0.96 + Reduced density, N sigma^3 / V. + mass : simtk.unit.Quantity with units compatible with angstrom, optional, default=39.9 amu + Particle mass. + epsilon : simtk.unit.Quantity with units compatible with kilocalories_per_mole, optional, default=120K*kB + WCA well depth. + sigma : simtk.unit.Quantity + WCA sigma. + + """ + # Create system + system = openmm.System() + + # Compute total system volume. + volume = N / density + + # Make system cubic in dimension. + length = volume**(1.0/3.0) + # TODO: Can we change this to use tuples or 3x3 array? + a = unit.Quantity(numpy.array([1.0, 0.0, 0.0], numpy.float32), unit.nanometer) * length/unit.nanometer + b = unit.Quantity(numpy.array([0.0, 1.0, 0.0], numpy.float32), unit.nanometer) * length/unit.nanometer + c = unit.Quantity(numpy.array([0.0, 0.0, 1.0], numpy.float32), unit.nanometer) * length/unit.nanometer + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Add particles to system. + for n in range(N): + system.addParticle(mass) + + # Create nonbonded force term implementing Kob-Andersen two-component Lennard-Jones interaction. + energy_expression = '4.0*epsilon*((sigma/r)^12 - (sigma/r)^6) + epsilon' + + # Create force. + force = openmm.CustomNonbondedForce(energy_expression) + + # Set epsilon and sigma global parameters. + force.addGlobalParameter('epsilon', epsilon) + force.addGlobalParameter('sigma', sigma) + + # Add particles + for n in range(N): + force.addParticle([]) + + # Set periodic boundary conditions with cutoff. + force.setNonbondedMethod(openmm.CustomNonbondedForce.CutoffNonPeriodic) + force.setCutoffDistance(sigma) + + # Add nonbonded force term to the system. + system.addForce(force) + + # Create initial coordinates using random positions. + coordinates = unit.Quantity(numpy.random.rand(N,3), unit.nanometer) * (length / unit.nanometer) + + # Store system. + self.system, self.positions = system, coordinates + +#============================================================================================= +# Ideal gas +#============================================================================================= + +class IdealGas(TestSystem): + """Create an 'ideal gas' of noninteracting particles in a periodic box. + + Parameters + ---------- + nparticles : int, optional, default=216 + number of particles + mass : int, optional, default=39.9 * unit.amu + temperature : int, optional, default=298.0 * unit.kelvin + pressure : int, optional, default=1.0 * unit.atmosphere + volume : None + if None, defaults to (nparticles * temperature * unit.BOLTZMANN_CONSTANT_kB / pressure).in_units_of(unit.nanometers**3) + + Examples + -------- + + Create an ideal gas system. + + >>> gas = IdealGas() + >>> system, positions = gas.system, gas.positions + + Create a smaller ideal gas system containing 64 particles. + + >>> gas = IdealGas(nparticles=64) + >>> system, positions = gas.system, gas.positions + + """ + + def __init__(self, nparticles=216, mass=39.9 * unit.amu, temperature=298.0 * unit.kelvin, pressure=1.0 * unit.atmosphere, volume=None): + + if volume is None: + volume = (nparticles * temperature * unit.BOLTZMANN_CONSTANT_kB / pressure).in_units_of(unit.nanometers**3) + + charge = 0.0 * unit.elementary_charge + sigma = 3.350 * unit.angstrom # argon LJ + epsilon = 0.0 * unit.kilojoule_per_mole # zero interaction + + # Create an empty system object. + system = openmm.System() + + # Compute box size. + length = volume**(1.0/3.0) + a = unit.Quantity((length, 0*unit.nanometer, 0*unit.nanometer)) + b = unit.Quantity((0*unit.nanometer, length, 0*unit.nanometer)) + c = unit.Quantity((0*unit.nanometer, 0*unit.nanometer, length)) + system.setDefaultPeriodicBoxVectors(a, b, c) + + # Add particles. + for index in range(nparticles): + system.addParticle(mass) + + # Place particles at random positions within the box. + # TODO: Use reproducible seed. + # NOTE: This may not be thread-safe. + + state = np.random.get_state() + np.random.seed(0) + positions = unit.Quantity((length/unit.nanometer) * np.random.rand(nparticles,3), unit.nanometer) + np.random.set_state(state) + + self.system, self.positions = system, positions + self.ndof = 3 * nparticles + + def get_potential_expectation(self, state): + """Return the expectation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return 0.0 * unit.kilojoules_per_mole + + def get_potential_standard_deviation(self, state): + """Return the standard deviation of the potential energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_stddev : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + potential energy standard deviation if implemented, or else None + + """ + + return 0.0 * unit.kilojoules_per_mole + + def get_kinetic_expectation(self, state): + """Return the expectation of the kinetic energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_mean : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + The expectation of the potential energy. + + """ + + return (3./2.) * kB * state.temperature + + def get_kinetic_standard_deviation(self, state): + """Return the standard deviation of the kinetic energy, computed analytically or numerically. + + Arguments + --------- + + state : ThermodynamicState with temperature defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + potential_stddev : simtk.unit.Quantity compatible with simtk.unit.kilojoules_per_mole + potential energy standard deviation if implemented, or else None + + """ + + return (3./2.) * kB * state.temperature + + def get_volume_expectation(self, state): + """Return the expectation of the volume, computed analytically. + + Arguments + --------- + + state : ThermodynamicState with temperature and pressure defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + volume_mean : simtk.unit.Quantity compatible with simtk.unit.nanometers**3 + The expectation of the volume at equilibrium. + + Notes + ----- + + The true mean volume is used, rather than the large-N limit. + + """ + + if not state.pressure: + box_vectors = self.system.getDefaultPeriodicBoxVectors() + volume = box_vectors[0][0] * box_vectors[1][1] * box_vectors[2][2] + return volume + + N = self._system.getNumParticles() + return ((N+1) * unit.BOLTZMANN_CONSTANT_kB * state.temperature / state.pressure).in_units_of(unit.nanometers**3) + + def get_volume_standard_deviation(self, state): + """Return the standard deviation of the volume, computed analytically. + + Arguments + --------- + + state : ThermodynamicState with temperature and pressure defined + The thermodynamic state at which the property is to be computed. + + Returns + ------- + + volume_stddev : simtk.unit.Quantity compatible with simtk.unit.nanometers**3 + The standard deviation of the volume at equilibrium. + + Notes + ----- + + The true mean volume is used, rather than the large-N limit. + + """ + + if not state.pressure: + return 0.0 * unit.nanometers**3 + + N = self._system.getNumParticles() + return (numpy.sqrt(N+1) * unit.BOLTZMANN_CONSTANT_kB * state.temperature / state.pressure).in_units_of(unit.nanometers**3) + +#============================================================================================= +# Water box +#============================================================================================= + +class WaterBox(TestSystem): + """ + Create a water box test system. + + Examples + -------- + + Create a default (TIP3P) waterbox. + + >>> waterbox = WaterBox() + + Control the cutoff. + + >>> waterbox = WaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + Use a different water model. + + >>> waterbox = WaterBox(model='tip4pew') + + Don't use constraints. + + >>> waterbox = WaterBox(constrained=False) + + """ + + def __init__(self, box_edge=2.5*unit.nanometers, cutoff=0.9*unit.nanometers, model='tip3p', switch=True, switch_width=0.5*unit.angstroms, constrained=True, dispersion_correction=True, nonbondedMethod=app.PME): + """ + Create a water box test system. + + Parameters + ---------- + + box_edge : simtk.unit.Quantity with units compatible with nanometers, optional, default = 2.5 nm + Edge length for cubic box [should be greater than 2*cutoff] + cutoff : simtk.unit.Quantity with units compatible with nanometers, optional, default = 0.9 nm + Nonbonded cutoff + model : str, optional, default = 'tip3p' + The name of the water model to use ['tip3p', 'tip4p', 'tip4pew', 'tip5p', 'spce'] + switch : bool, optional, default = True + Turns the Lennard-Jones switching function on or off. + switch_width : simtk.unit.Quantity with units compatible with nanometers, optional, default = 0.5 A + Sets the width of the switch function for Lennard-Jones. + constrained : bool, optional, default=True + Sets whether water geometry should be constrained (rigid water implemented via SETTLE) or flexible. + dispersion_correction : bool, optional, default=True + Sets whether the long-range dispersion correction should be used. + nonbondedMethod : simtk.openmm.app nonbonded method, optional, default=app.PME + Sets the nonbonded method to use for the water box (one of app.CutoffPeriodic, app.Ewald, app.PME). + + Examples + -------- + + Create a default waterbox. + + >>> waterbox = WaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + Use reaction-field electrostatics instead. + + >>> waterbox = WaterBox(nonbondedMethod=app.CutoffPeriodic) + + Control the cutoff. + + >>> waterbox = WaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + Use a different water model. + + >>> waterbox = WaterBox(model='spce') + + Use a five-site water model. + + >>> waterbox = WaterBox(model='tip5p') + + Turn off the switch function. + + >>> waterbox = WaterBox(switch=False) + + Set the switch width. + + >>> waterbox = WaterBox(switch=True, switch_width=0.8*unit.angstroms) + + Turn of long-range dispersion correction. + + >>> waterbox = WaterBox(dispersion_correction=False) + + """ + + import simtk.openmm.app as app + + supported_models = ['tip3p', 'tip4pew', 'tip5p', 'spce'] + if model not in supported_models: + raise Exception("Specified water model '%s' is not in list of supported models: %s" % (model, str(supported_models))) + + # Load forcefield for solvent model. + ff = app.ForceField(model + '.xml') + + # Create empty topology and coordinates. + top = app.Topology() + pos = unit.Quantity((), unit.angstroms) + + # Create new Modeller instance. + m = app.Modeller(top, pos) + + # Add solvent to specified box dimensions. + boxSize = unit.Quantity(numpy.ones([3]) * box_edge/box_edge.unit, box_edge.unit) + m.addSolvent(ff, boxSize=boxSize, model=model) + + # Get new topology and coordinates. + newtop = m.getTopology() + newpos = m.getPositions() + + # Convert positions to numpy. + positions = unit.Quantity(numpy.array(newpos / newpos.unit), newpos.unit) + + # Create OpenMM System. + system = ff.createSystem(newtop, nonbondedMethod=nonbondedMethod, nonbondedCutoff=cutoff, constraints=None, rigidWater=constrained, removeCMMotion=False) + + # Set switching function and dispersion correction. + forces = { system.getForce(index).__class__.__name__ : system.getForce(index) for index in range(system.getNumForces()) } + forces['NonbondedForce'].setUseSwitchingFunction(switch) + forces['NonbondedForce'].setSwitchingDistance(cutoff - switch_width) + forces['NonbondedForce'].setUseDispersionCorrection(dispersion_correction) + + self.ndof = 3*system.getNumParticles() - 3*constrained + self.system, self.positions = system, positions + +class FlexibleWaterBox(WaterBox): + """ + Flexible water box. + + """ + + def __init__(self, *args, **kwargs): + """ + Create a flexible water box. + + Parameters are inherited from WaterBox (except for 'constrained'). + + Examples + -------- + + Create a default flexible waterbox. + + >>> waterbox = FlexibleWaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + """ + super(FlexibleWaterBox, self).__init__(constrained=False, *args, **kwargs) + +class FourSiteWaterBox(WaterBox): + """ + Four-site water box (TIP4P-Ew). + + """ + + def __init__(self, *args, **kwargs): + """ + Create a water box test systemm using a four-site water model (TIP4P-Ew). + + Parameters are inherited from WaterBox (except for 'model'). + + Examples + -------- + + Create a default waterbox. + + >>> waterbox = FourSiteWaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + Control the cutoff. + + >>> waterbox = FourSiteWaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + """ + super(FourSiteWaterBox, self).__init__(model='tip4pew', *args, **kwargs) + +class FiveSiteWaterBox(WaterBox): + """ + Five-site water box (TIP5P). + + """ + + def __init__(self, *args, **kwargs): + """ + Create a water box test systemm using a five-site water model (TIP5P). + + Parameters are inherited from WaterBox (except for 'model'). + + Examples + -------- + + Create a default waterbox. + + >>> waterbox = FiveSiteWaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + Control the cutoff. + + >>> waterbox = FiveSiteWaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + """ + super(FiveSiteWaterBox, self).__init__(model='tip5p', *args, **kwargs) + +class DischargedWaterBox(WaterBox): + """ + Water box test system with zeroed charges. + + """ + + def __init__(self, *args, **kwargs): + """ + Create a water box test systemm using a four-site water model (TIP4P-Ew). + + Parameters are inherited from WaterBox. + + Examples + -------- + + Create a default waterbox. + + >>> waterbox = DischargedWaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + Control the cutoff. + + >>> waterbox = DischargedWaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + """ + super(DischargedWaterBox, self).__init__(*args, **kwargs) + + # Zero charges. + system = self.system + forces = { system.getForce(index).__class__.__name__ : system.getForce(index) for index in range(system.getNumForces()) } + force = forces['NonbondedForce'] + for index in range(force.getNumParticles()): + [charge, sigma, epsilon] = force.getParticleParameters(index) + force.setParticleParameters(index, 0*charge, sigma, epsilon) + for index in range(force.getNumExceptions()): + [particle1, particle2, chargeProd, sigma, epsilon] = force.getExceptionParameters(index) + force.setExceptionParameters(index, particle1, particle2, 0*chargeProd, sigma, epsilon) + + return + +class DischargedWaterBoxHsites(WaterBox): + """ + Water box test system with zeroed charges and Lennard-Jones sites on hydrogens. + + """ + + def __init__(self, *args, **kwargs): + """ + Create a water box with zeroed charges and Lennard-Jones sites on hydrogens. + + Parameters are inherited from WaterBox. + + Examples + -------- + + Create a default waterbox. + + >>> waterbox = DischargedWaterBox() + >>> [system, positions] = [waterbox.system, waterbox.positions] + + Control the cutoff. + + >>> waterbox = DischargedWaterBox(box_edge=3.0*unit.nanometers, cutoff=1.0*unit.nanometers) + + """ + super(DischargedWaterBoxHsites, self).__init__(*args, **kwargs) + + # Zero charges. + system = self.system + forces = { system.getForce(index).__class__.__name__ : system.getForce(index) for index in range(system.getNumForces()) } + force = forces['NonbondedForce'] + for index in range(force.getNumParticles()): + [charge, sigma, epsilon] = force.getParticleParameters(index) + charge *= 0 + if epsilon == 0.0 * unit.kilojoules_per_mole: + # Add LJ site to hydrogens. + epsilon = 0.0157 * unit.kilojoules_per_mole + sigma = 0.06 * unit.angstroms + force.setParticleParameters(index, charge, sigma, epsilon) + for index in range(force.getNumExceptions()): + [particle1, particle2, chargeProd, sigma, epsilon] = force.getExceptionParameters(index) + chargeProd *= 0 + epsilon *= 0 + force.setExceptionParameters(index, particle1, particle2, chargeProd, sigma, epsilon) + + return + +#============================================================================================= +# Alanine dipeptide in vacuum. +#============================================================================================= + +class AlanineDipeptideVacuum(TestSystem): + """Alanine dipeptide ff96 in vacuum. + + Parameters + ---------- + constraints : optional, default=simtk.openmm.app.HBonds + + Examples + -------- + + Create alanine dipeptide with constraints on bonds to hydrogen + >>> alanine = AlanineDipeptideVacuum() + >>> (system, positions) = alanine.system, alanine.positions + """ + + def __init__(self, constraints=app.HBonds): + + prmtop_filename = get_data_filename("data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop") + crd_filename = get_data_filename("data/alanine-dipeptide-gbsa/alanine-dipeptide.crd") + + prmtop = app.AmberPrmtopFile(prmtop_filename) + system = prmtop.createSystem(implicitSolvent=None, constraints=constraints, nonbondedCutoff=None) + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename) + positions = inpcrd.getPositions(asNumpy=True) + + self.system, self.positions = system, positions + +#============================================================================================= +# Alanine dipeptide in implicit solvent. +#============================================================================================= + +class AlanineDipeptideImplicit(TestSystem): + """Alanine dipeptide ff96 in OBC GBSA implicit solvent. + + Parameters + ---------- + constraints : optional, default=simtk.openmm.app.HBonds + + Examples + -------- + + Create alanine dipeptide with constraints on bonds to hydrogen + >>> alanine = AlanineDipeptideImplicit() + >>> (system, positions) = alanine.system, alanine.positions + """ + + def __init__(self, constraints=app.HBonds): + + prmtop_filename = get_data_filename("data/alanine-dipeptide-gbsa/alanine-dipeptide.prmtop") + crd_filename = get_data_filename("data/alanine-dipeptide-gbsa/alanine-dipeptide.crd") + + # Initialize system. + + prmtop = app.AmberPrmtopFile(prmtop_filename) + system = prmtop.createSystem(implicitSolvent=app.OBC1, constraints=constraints, nonbondedCutoff=None) + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename) + positions = inpcrd.getPositions(asNumpy=True) + + self.system, self.positions = system, positions + +#============================================================================================= +# Alanine dipeptide in explicit solvent +#============================================================================================= + +class AlanineDipeptideExplicit(TestSystem): + """Alanine dipeptide ff96 in TIP3P explicit solvent.. + + Parameters + ---------- + constraints : optional, default=simtk.openmm.app.HBonds + rigid_water : bool, optional, default=True + nonbondedCutoff : Quantity, optional, default=9.0 * unit.angstroms + use_dispersion_correction : bool, optional, default=True + If True, the long-range disperson correction will be used. + nonbondedMethod : simtk.openmm.app nonbonded method, optional, default=app.PME + Sets the nonbonded method to use for the water box (one of app.CutoffPeriodic, app.Ewald, app.PME). + + Examples + -------- + + >>> alanine = AlanineDipeptideExplicit() + >>> (system, positions) = alanine.system, alanine.positions + """ + + def __init__(self, constraints=app.HBonds, rigid_water=True, nonbondedCutoff=9.0 * unit.angstroms, use_dispersion_correction=True, nonbondedMethod=app.PME): + + prmtop_filename = get_data_filename("data/alanine-dipeptide-explicit/alanine-dipeptide.prmtop") + crd_filename = get_data_filename("data/alanine-dipeptide-explicit/alanine-dipeptide.crd") + + # Initialize system. + prmtop = app.AmberPrmtopFile(prmtop_filename) + system = prmtop.createSystem(constraints=constraints, nonbondedMethod=nonbondedMethod, rigidWater=rigid_water, nonbondedCutoff=0.9*unit.nanometer) + + # Set dispersion correction use. + forces = { system.getForce(index).__class__.__name__ : system.getForce(index) for index in range(system.getNumForces()) } + forces['NonbondedForce'].setUseDispersionCorrection(use_dispersion_correction) + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename, loadBoxVectors=True) + positions = inpcrd.getPositions(asNumpy=True) + + # Set box vectors. + box_vectors = inpcrd.getBoxVectors(asNumpy=True) + system.setDefaultPeriodicBoxVectors(box_vectors[0], box_vectors[1], box_vectors[2]) + + self.system, self.positions = system, positions + +#============================================================================================= +# T4 lysozyme L99A mutant with p-xylene ligand. +#============================================================================================= + +class LysozymeImplicit(TestSystem): + """T4 lysozyme L99A (AMBER ff96) with p-xylene ligand (GAFF + AM1-BCC) in implicit OBC GBSA solvent. + + Parameters + ---------- + flexibleConstraints : bool, optional, default=True + constraints : simtk.openmm.app constraints (None, HBonds, HAngles, AllBonds) + constraints to be imposed + + Examples + -------- + + >>> lysozyme = LysozymeImplicit() + >>> (system, positions) = lysozyme.system, lysozyme.positions + """ + + def __init__(self, flexibleConstraints=True, constraints=app.HBonds, implicitSolvent=app.OBC1): + + prmtop_filename = get_data_filename("data/T4-lysozyme-L99A-implicit/complex.prmtop") + crd_filename = get_data_filename("data/T4-lysozyme-L99A-implicit/complex.crd") + + # Initialize system. + prmtop = app.AmberPrmtopFile(prmtop_filename) + system = prmtop.createSystem(implicitSolvent=app.OBC1, constraints=app.HBonds, nonbondedCutoff=None) + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename) + positions = inpcrd.getPositions(asNumpy=True) + + self.system, self.positions = system, positions + + +class SrcImplicit(TestSystem): + """Src kinase in implicit AMBER 99sb-ildn with OBC GBSA solvent. + + Examples + -------- + >>> src = SrcImplicit() + >>> system, positions = src.system, src.positions + """ + + def __init__(self): + + pdb_filename = get_data_filename("data/src-implicit/implicit-refined.pdb") + pdbfile = app.PDBFile(pdb_filename) + + # Construct system. + forcefields_to_use = ['amber99sbildn.xml', 'amber99_obc.xml'] # list of forcefields to use in parameterization + forcefield = app.ForceField(*forcefields_to_use) + system = forcefield.createSystem(pdbfile.topology, nonbondedMethod=app.NoCutoff, constraints=app.HBonds) + + # Get positions. + positions = pdbfile.getPositions() + + self.system, self.positions = system, positions + +#============================================================================================= +# Src kinase in explicit solvent. +#============================================================================================= + +class SrcExplicit(TestSystem): + """Src kinase (AMBER 99sb-ildn) in explicit TIP3P solvent. + + Parameters + ---------- + nonbondedMethod : simtk.openmm.app nonbonded method, optional, default=app.PME + Sets the nonbonded method to use for the water box (CutoffPeriodic, app.Ewald, app.PME). + + Examples + -------- + >>> src = SrcExplicit() + >>> system, positions = src.system, src.positions + + """ + def __init__(self, nonbondedMethod=app.PME): + + system_xml_filename = get_data_filename("data/src-explicit/system.xml") + state_xml_filename = get_data_filename("data/src-explicit/state.xml") + + # Read system. + infile = open(system_xml_filename, 'r') + system = openmm.XmlSerializer.deserialize(infile.read()) + infile.close() + + # Read state. + infile = open(state_xml_filename, 'r') + serialized_state = openmm.XmlSerializer.deserialize(infile.read()) + infile.close() + + # Select nonbonded method. + forces = { system.getForce(index).__class__.__name__ : system.getForce(index) for index in range(system.getNumForces()) } + from simtk.openmm import NonbondedForce + methodMap = {app.NoCutoff:NonbondedForce.NoCutoff, + app.CutoffNonPeriodic:NonbondedForce.CutoffNonPeriodic, + app.CutoffPeriodic:NonbondedForce.CutoffPeriodic, + app.Ewald:NonbondedForce.Ewald, + app.PME:NonbondedForce.PME} + forces['NonbondedForce'].setNonbondedMethod(methodMap[nonbondedMethod]) + + # Get positions and set periodic box vectors. + positions = serialized_state.getPositions() + box_vectors = serialized_state.getPeriodicBoxVectors() + system.setDefaultPeriodicBoxVectors(*box_vectors) + + self.system, self.positions = system, positions + +#============================================================================================= +# Methanol box. +#============================================================================================= + +class MethanolBox(TestSystem): + """Methanol box. + + Parameters + ---------- + flexibleConstraints : bool, optional, default=True + shake : string, optional, default="h-bonds" + nonbondedCutoff : Quantity, optional, default=7.0 * unit.angstroms + nonbondedMethod : simtk.openmm.app nonbonded method, optional, default=app.PME + Sets the nonbonded method to use for the water box (one of app.CutoffPeriodic, app.Ewald, app.PME). + + Examples + -------- + + >>> methanol_box = MethanolBox() + >>> system, positions = methanol_box.system, methanol_box.positions + """ + + def __init__(self, flexibleConstraints=True, constraints=app.HBonds, nonbondedCutoff=7.0 * unit.angstroms, nonbondedMethod=app.CutoffPeriodic): + + system_name = 'methanol-box' + prmtop_filename = get_data_filename("data/%s/%s.prmtop" % (system_name, system_name)) + crd_filename = get_data_filename("data/%s/%s.crd" % (system_name, system_name)) + + # Initialize system. + prmtop = app.AmberPrmtopFile(prmtop_filename) + system = prmtop.createSystem(constraints=constraints, nonbondedMethod=nonbondedMethod, rigidWater=True, nonbondedCutoff=0.9*unit.nanometer) + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename, loadBoxVectors=True) + positions = inpcrd.getPositions(asNumpy=True) + + # Set box vectors. + box_vectors = inpcrd.getBoxVectors(asNumpy=True) + system.setDefaultPeriodicBoxVectors(box_vectors[0], box_vectors[1], box_vectors[2]) + + self.system, self.positions = system, positions + +#============================================================================================= +# Molecular ideal gas (methanol box). +#============================================================================================= + +class MolecularIdealGas(TestSystem): + """Molecular ideal gas (methanol box). + + Parameters + ---------- + flexibleConstraints : bool, optional, default=True + shake : string, optional, default=None + nonbondedCutoff : Quantity, optional, default=7.0 * unit.angstroms + nonbondedMethod : simtk.openmm.app nonbonded method, optional, default=app.PME + Sets the nonbonded method to use for the water box (one of app.CutoffPeriodic, app.Ewald, app.PME). + + Examples + -------- + + >>> methanol_box = MolecularIdealGas() + >>> system, positions = methanol_box.system, methanol_box.positions + """ + + def __init__(self, flexibleConstraints=True, shake=None, nonbondedCutoff=7.0 * unit.angstroms, nonbondedMethod=app.CutoffPeriodic): + + system_name = 'methanol-box' + prmtop_filename = get_data_filename("data/%s/%s.prmtop" % (system_name, system_name)) + crd_filename = get_data_filename("data/%s/%s.crd" % (system_name, system_name)) + + # Initialize system. + prmtop = app.AmberPrmtopFile(prmtop_filename) + reference_system = prmtop.createSystem(constraints=app.HBonds, nonbondedMethod=nonbondedMethod, rigidWater=True, nonbondedCutoff=0.9*unit.nanometer) + + # Make a new system that contains no intermolecular interactions. + system = openmm.System() + + # Add atoms. + for atom_index in range(reference_system.getNumParticles()): + mass = reference_system.getParticleMass(atom_index) + system.addParticle(mass) + + # Add constraints + for constraint_index in range(reference_system.getNumConstraints()): + [iatom, jatom, r0] = reference_system.getConstraintParameters(constraint_index) + system.addConstraint(iatom, jatom, r0) + + # Copy only intramolecular forces. + nforces = reference_system.getNumForces() + for force_index in range(nforces): + reference_force = reference_system.getForce(force_index) + if isinstance(reference_force, openmm.HarmonicBondForce): + # HarmonicBondForce + force = openmm.HarmonicBondForce() + for bond_index in range(reference_force.getNumBonds()): + [iatom, jatom, r0, K] = reference_force.getBondParameters(bond_index) + force.addBond(iatom, jatom, r0, K) + system.addForce(force) + elif isinstance(reference_force, openmm.HarmonicAngleForce): + # HarmonicAngleForce + force = openmm.HarmonicAngleForce() + for angle_index in range(reference_force.getNumAngles()): + [iatom, jatom, katom, theta0, Ktheta] = reference_force.getAngleParameters(angle_index) + force.addAngle(iatom, jatom, katom, theta0, Ktheta) + system.addForce(force) + elif isinstance(reference_force, openmm.PeriodicTorsionForce): + # PeriodicTorsionForce + force = openmm.PeriodicTorsionForce() + for torsion_index in range(reference_force.getNumTorsions()): + [particle1, particle2, particle3, particle4, periodicity, phase, k] = reference_force.getTorsionParameters(torsion_index) + force.addTorsion(particle1, particle2, particle3, particle4, periodicity, phase, k) + system.addForce(force) + else: + # Don't add any other forces. + pass + + # Read positions. + inpcrd = app.AmberInpcrdFile(crd_filename, loadBoxVectors=True) + positions = inpcrd.getPositions(asNumpy=True) + + # Set box vectors. + box_vectors = inpcrd.getBoxVectors(asNumpy=True) + system.setDefaultPeriodicBoxVectors(box_vectors[0], box_vectors[1], box_vectors[2]) + + self.system, self.positions = system, positions + +#============================================================================================= +# System of particles with CustomGBForce +#============================================================================================= + +class CustomGBForceSystem(TestSystem): + """A system of particles with a CustomGBForce. + + Notes + ----- + + This example comes from TestReferenceCustomGBForce.cpp from the OpenMM distribution. + + Examples + -------- + + >>> gb_system = CustomGBForceSystem() + >>> system, positions = gb_system.system, gb_system.positions + """ + + def __init__(self): + + numMolecules = 70 + numParticles = numMolecules*2 + boxSize = 10.0 * unit.nanometers + + # Default parameters + mass = 39.9 * unit.amu + sigma = 3.350 * unit.angstrom + epsilon = 0.001603 * unit.kilojoule_per_mole + cutoff = 2.0 * unit.nanometers + + system = openmm.System() + for i in range(numParticles): + system.addParticle(mass) + + system.setDefaultPeriodicBoxVectors(openmm.Vec3(boxSize, 0.0, 0.0), openmm.Vec3(0.0, boxSize, 0.0), openmm.Vec3(0.0, 0.0, boxSize)) + + # Create NonbondedForce. + nonbonded = openmm.NonbondedForce() + nonbonded.setNonbondedMethod(openmm.NonbondedForce.CutoffPeriodic) + nonbonded.setCutoffDistance(cutoff) + + # Create CustomGBForce. + custom = openmm.CustomGBForce() + custom.setNonbondedMethod(openmm.CustomGBForce.CutoffPeriodic) + custom.setCutoffDistance(cutoff) + + custom.addPerParticleParameter("q") + custom.addPerParticleParameter("radius") + custom.addPerParticleParameter("scale") + + custom.addGlobalParameter("solventDielectric", 80.0) + custom.addGlobalParameter("soluteDielectric", 1.0) + custom.addComputedValue("I", "step(r+sr2-or1)*0.5*(1/L-1/U+0.25*(1/U^2-1/L^2)*(r-sr2*sr2/r)+0.5*log(L/U)/r+C);" + "U=r+sr2;" + "C=2*(1/or1-1/L)*step(sr2-r-or1);" + "L=max(or1, D);" + "D=abs(r-sr2);" + "sr2 = scale2*or2;" + "or1 = radius1-0.009; or2 = radius2-0.009", openmm.CustomGBForce.ParticlePairNoExclusions); + custom.addComputedValue("B", "1/(1/or-tanh(1*psi-0.8*psi^2+4.85*psi^3)/radius);" + "psi=I*or; or=radius-0.009", openmm.CustomGBForce.SingleParticle); + custom.addEnergyTerm("28.3919551*(radius+0.14)^2*(radius/B)^6-0.5*138.935485*(1/soluteDielectric-1/solventDielectric)*q^2/B", openmm.CustomGBForce.SingleParticle); + custom.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2/f;" + "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", openmm.CustomGBForce.ParticlePairNoExclusions); + + # Add particles. + for i in range(numMolecules): + if (i < numMolecules/2): + charge = 1.0 * unit.elementary_charge + radius = 0.2 * unit.nanometers + scale = 0.5 + nonbonded.addParticle(charge, sigma, epsilon) + custom.addParticle([charge, radius, scale]) + + charge = -1.0 * unit.elementary_charge + radius = 0.1 * unit.nanometers + scale = 0.5 + nonbonded.addParticle(charge, sigma, epsilon) + custom.addParticle([charge, radius, scale]); + else: + charge = 1.0 * unit.elementary_charge + radius = 0.2 * unit.nanometers + scale = 0.8 + nonbonded.addParticle(charge, sigma, epsilon) + custom.addParticle([charge, radius, scale]) + + charge = -1.0 * unit.elementary_charge + radius = 0.1 * unit.nanometers + scale = 0.8 + nonbonded.addParticle(charge, sigma, epsilon) + custom.addParticle([charge, radius, scale]); + + system.addForce(nonbonded) + system.addForce(custom) + + # Place particles at random positions within the box. + # TODO: Use reproducible random number seed. + # NOTE: This may not be thread-safe. + + state = np.random.get_state() + np.random.seed(0) + positions = unit.Quantity((boxSize/unit.nanometer) * np.random.rand(numParticles,3), unit.nanometer) + np.random.set_state(state) + + self.system, self.positions = system, positions + +#============================================================================================= +# AMOEBA SYSTEMS +#============================================================================================= + +class AMOEBAIonBox(TestSystem): + """A single Ca2 ion in a water box. + + >>> testsystem = AMOEBAIonBox() + >>> system, positions = testsystem.system, testsystem.positions + + """ + def __init__(self): + pdb_filename = get_data_filename("data/amoeba/ion-in-water.pdb") + pdbfile = app.PDBFile(pdb_filename) + + ff = app.ForceField("amoeba2009.xml") + # TODO: 7A is a hack + system = ff.createSystem(pdbfile.topology, nonbondedMethod=app.PME, constraints=app.HBonds, useDispersionCorrection=True, nonbondedCutoff=7.0*unit.angstroms) + + positions = pdbfile.getPositions() + + self.system, self.positions = system, positions + +class AMOEBAProteinBox(TestSystem): + """PDB 1AP4 in water box. + + >>> testsystem = AMOEBAProteinBox() + >>> system, positions = testsystem.system, testsystem.positions + + """ + def __init__(self): + pdb_filename = get_data_filename("data/amoeba/1AP4_14_wat.pdb") + pdbfile = app.PDBFile(pdb_filename) + + ff = app.ForceField("amoeba2009.xml") + system = ff.createSystem(pdbfile.topology, nonbondedMethod=app.PME, constraints=app.HBonds, useDispersionCorrection=True) + + positions = pdbfile.getPositions() + + self.system, self.positions = system, positions + +#============================================================================================= +# ALCHEMICALLY MODIFIED SYSTEMS +#============================================================================================= + +class AlchemicalState(object): + """ + Alchemical state description. + + These parameters describe the parameters that affect computation of the energy. + + Attributes + ---------- + relativeRestraints : float + Scaling factor for remaining receptor-ligand relative restraint terms (to help keep ligand near protein). + ligandElectrostatics : float + Scaling factor for ligand charges, intrinsic Born radii, and surface area term. + ligandSterics : float + Scaling factor for ligand sterics (Lennard-Jones and Halgren) interactions. + ligandTorsions : float + Scaling factor for ligand non-ring torsions. + annihilateElectrostatics : bool + If True, electrostatics should be annihilated, rather than decoupled. + annihilateSterics : bool + If True, sterics (Lennard-Jones or Halgren potential) will be annihilated, rather than decoupled. + + TODO + ---- + * Rework these structure members into something more general and flexible? + * Add receptor modulation back in? + """ + + def __init__(self, relativeRestraints=0.0, ligandElectrostatics=1.0, ligandSterics=1.0, ligandTorsions=1.0, annihilateElectrostatics=True, annihilateSterics=False): + """ + Create an Alchemical state. + + Parameters + ---------- + relativeRestraints : float, optional, default = 0.0 + Scaling factor for remaining receptor-ligand relative restraint terms (to help keep ligand near protein). + ligandElectrostatics : float, optional, default = 1.0 + Scaling factor for ligand charges, intrinsic Born radii, and surface area term. + ligandSterics : float, optional, default = 1.0 + Scaling factor for ligand sterics (Lennard-Jones or Halgren) interactions. + ligandTorsions : float, optional, default = 1.0 + Scaling factor for ligand non-ring torsions. + annihilateElectrostatics : bool, optional, default = True + If True, electrostatics should be annihilated, rather than decoupled. + annihilateSterics : bool, optional, default = False + If True, sterics (Lennard-Jones or Halgren potential) will be annihilated, rather than decoupled. + + Examples + -------- + + Create a fully-interacting, unrestrained alchemical state. + + >>> alchemical_state = AlchemicalState(relativeRestraints=0.0, ligandElectrostatics=1.0, ligandSterics=1.0, ligandTorsions=1.0) + >>> # This is equivalent to + >>> alchemical_state = AlchemicalState() + + + Annihilate electrostatics. + + >>> alchemical_state = AlchemicalState(annihilateElectrostatics=True, ligandElectrostatics=0.0) + + """ + + self.relativeRestraints = relativeRestraints + self.ligandElectrostatics = ligandElectrostatics + self.ligandSterics = ligandSterics + self.ligandTorsions = ligandTorsions + self.annihilateElectrostatics = annihilateElectrostatics + self.annihilateSterics = annihilateSterics + + return + +class AlchemicalTestSystem(object): + def _alchemicallyModifyLennardJones(cls, system, nonbonded_force, alchemical_atom_indices, alchemical_state, alpha=0.50, a=1, b=1, c=6): + """ + Alchemically modify the Lennard-Jones force terms. + + This version uses the new group-based restriction capabilities of CustomNonbondedForce. + + + Parameters + ---------- + system : simtk.openmm.System + System to modify. + nonbonded_force : simtk.openmm.NonbondedForce + The NonbondedForce to modify (will be changed). + alchemical_atom_indices : list of int + Atom indices to be alchemically modified. + alchemical_state : AlchemicalState + The alchemical state specification to be used in modifying Lennard-Jones terms. + alpha : float, optional, default = 0.5 + Alchemical softcore parameter. + a, b, c : float, optional, default a=1, b=1, c=6 + Parameters describing softcore force. + + """ + + import simtk.openmm as openmm + + # Create CustomNonbondedForce to handle softcore interactions between alchemically-modified system and rest of system. + + energy_expression = "4*epsilon*(lambda^a)*x*(x-1.0);" + energy_expression += "x = (1.0/(alpha*(1.0-lambda)^b + (r/sigma)^c))^(6/c);" + energy_expression += "epsilon = sqrt(epsilon1*epsilon2);" # mixing rule for epsilon + energy_expression += "sigma = 0.5*(sigma1 + sigma2);" # mixing rule for sigma + energy_expression += "lambda = lennard_jones_lambda;" # lambda + + # Create atom groups. + natoms = system.getNumParticles() + atomset1 = set(alchemical_atom_indices) # only alchemically-modified atoms + atomset2 = set(range(system.getNumParticles())) - atomset1 # all atoms minus intra-alchemical region + + # Create alchemically modified nonbonded force. + # TODO: Create a _createCustomNonbondedForce method to duplicate parameters? + energy_expression += "alpha = %f;" % alpha + energy_expression += "a = %f; b = %f; c = %f;" % (a,b,c) + custom_nonbonded_force = openmm.CustomNonbondedForce(energy_expression) + custom_nonbonded_force.setNonbondedMethod(nonbonded_force.getNonbondedMethod()) # TODO: Make sure these method indices are identical. + custom_nonbonded_force.setUseSwitchingFunction(nonbonded_force.getUseSwitchingFunction()) + custom_nonbonded_force.setSwitchingDistance(nonbonded_force.getSwitchingDistance()) + custom_nonbonded_force.setUseLongRangeCorrection(nonbonded_force.getUseDispersionCorrection()) + custom_nonbonded_force.addGlobalParameter("lennard_jones_lambda", alchemical_state.ligandSterics); + custom_nonbonded_force.addPerParticleParameter("sigma") # Lennard-Jones sigma + custom_nonbonded_force.addPerParticleParameter("epsilon") # Lennard-Jones epsilon + + # Restrict interaction evaluation to be between alchemical atoms and rest of environment. + # Only add custom nonbonded force if interacting groups are both nonzero in size. + if (len(atomset1) != 0) and (len(atomset2) != 0): + custom_nonbonded_force.addInteractionGroup(atomset1, atomset2) + system.addForce(custom_nonbonded_force) + + # Create CustomBondedForce to handle softcore exceptions if alchemically annihilating ligand. + if alchemical_state.annihilateSterics: + energy_expression = "4*epsilon*(lambda^a)*x*(x-1.0);" + energy_expression += "x = (1.0/(alpha*(1.0-lambda)^b + (r/sigma)^c))^(6/c);" + energy_expression += "alpha = %f;" % alpha + energy_expression += "a = %f; b = %f; c = %f;" % (a,b,c) + energy_expression += "lambda = lennard_jones_lambda;" + custom_bond_force = openmm.CustomBondForce(energy_expression) + custom_bond_force.addGlobalParameter("lennard_jones_lambda", alchemical_state.ligandSterics); + custom_bond_force.addPerBondParameter("sigma") # Lennard-Jones sigma + custom_bond_force.addPerBondParameter("epsilon") # Lennard-Jones epsilon + system.addForce(custom_bond_force) + else: + # Decoupling of sterics. + # Add a second CustomNonbondedForce to restore "intra-alchemical" interactions to full strength. + energy_expression = "4*epsilon*((sigma/r)^12 - (sigma/r)^6);" + energy_expression += "epsilon = sqrt(epsilon1*epsilon2);" # mixing rule for epsilon + energy_expression += "sigma = 0.5*(sigma1 + sigma2);" # mixing rule for sigma + custom_nonbonded_force2 = openmm.CustomNonbondedForce(energy_expression) + custom_nonbonded_force2.setUseSwitchingFunction(nonbonded_force.getUseSwitchingFunction()) + custom_nonbonded_force2.setSwitchingDistance(nonbonded_force.getSwitchingDistance()) + custom_nonbonded_force2.setUseLongRangeCorrection(nonbonded_force.getUseDispersionCorrection()) + custom_nonbonded_force2.addPerParticleParameter("sigma") # Lennard-Jones sigma + custom_nonbonded_force2.addPerParticleParameter("epsilon") # Lennard-Jones epsilon + system.addForce(custom_nonbonded_force2) + # Restrict interaction evaluation to be between alchemical atoms and rest of environment. + atomset1 = set(alchemical_atom_indices) # only alchemically-modified atoms + atomset2 = set(alchemical_atom_indices) # only alchemically-modified atoms + custom_nonbonded_force2.addInteractionGroup(atomset1, atomset2) + + # Copy Lennard-Jones particle parameters. + for particle_index in range(nonbonded_force.getNumParticles()): + # Retrieve parameters. + [charge, sigma, epsilon] = nonbonded_force.getParticleParameters(particle_index) + # Add corresponding particle to softcore interactions. + if particle_index in alchemical_atom_indices: + # Turn off Lennard-Jones contribution from alchemically-modified particles. + nonbonded_force.setParticleParameters(particle_index, charge, sigma, epsilon*0.0) + # Add contribution back to custom force. + custom_nonbonded_force.addParticle([sigma, epsilon]) + if not alchemical_state.annihilateSterics: + custom_nonbonded_force2.addParticle([sigma, epsilon]) + + # Create an exclusion for each exception in the reference NonbondedForce, assuming that NonbondedForce will handle them. + for exception_index in range(nonbonded_force.getNumExceptions()): + # Retrieve parameters. + [iatom, jatom, chargeprod, sigma, epsilon] = nonbonded_force.getExceptionParameters(exception_index) + # Exclude this atom pair in CustomNonbondedForce. + custom_nonbonded_force.addExclusion(iatom, jatom) + if not alchemical_state.annihilateSterics: + custom_nonbonded_force2.addExclusion(iatom, jatom) + + # If annihilating Lennard-Jones, move intramolecular interactions to custom_bond_force. + if alchemical_state.annihilateSterics and (iatom in alchemical_atom_indices) and (jatom in alchemical_atom_indices): + # Remove Lennard-Jones exception. + nonbonded_force.setExceptionParameters(exception_index, iatom, jatom, chargeprod, sigma, epsilon * 0.0) + # Add special CustomBondForce term to handle alchemically-modified Lennard-Jones exception. + custom_bond_force.addBond(iatom, jatom, [sigma, epsilon]) + + # Set periodicity and cutoff parameters corresponding to reference Force. + if nonbonded_force.getNonbondedMethod() in [openmm.NonbondedForce.Ewald, openmm.NonbondedForce.PME]: + # Convert Ewald and PME to CutoffPeriodic. + custom_nonbonded_force.setNonbondedMethod( openmm.CustomNonbondedForce.CutoffPeriodic ) + if not alchemical_state.annihilateSterics: + custom_nonbonded_force2.setNonbondedMethod( openmm.CustomNonbondedForce.CutoffPeriodic ) + else: + custom_nonbonded_force.setNonbondedMethod( nonbonded_force.getNonbondedMethod() ) + if not alchemical_state.annihilateSterics: + custom_nonbonded_force2.setNonbondedMethod(nonbonded_force.getNonbondedMethod() ) + + custom_nonbonded_force.setCutoffDistance( nonbonded_force.getCutoffDistance() ) + if not alchemical_state.annihilateSterics: + custom_nonbonded_force2.setCutoffDistance( nonbonded_force.getCutoffDistance() ) + + return + +class AlchemicalLennardJonesCluster(TestSystem,AlchemicalTestSystem): + """Create an alchemically-perturbed version of LennardJonesCluster. + + + Parameters + ---------- + nx : int, optional, default=3 + number of particles in the x direction + ny : int, optional, default=3 + number of particles in the y direction + nz : int, optional, default=3 + number of particles in the z direction + K : simtk.unit.Quantity, optional, default=1.0 * unit.kilojoules_per_mole/unit.nanometer**2 + harmonic restraining potential + + Examples + -------- + + Create Lennard-Jones cluster. + + >>> cluster = AlchemicalLennardJonesCluster() + >>> system, positions = cluster.system, cluster.positions + + Create default 3x3x3 Lennard-Jones cluster in a harmonic restraining potential. + + >>> cluster = AlchemicalLennardJonesCluster(nx=10, ny=10, nz=10) + >>> system, positions = cluster.system, cluster.positions + """ + def __init__(self, nx=3, ny=3, nz=3, K=1.0 * unit.kilojoules_per_mole/unit.nanometer**2): + + # Default parameters + mass_Ar = 39.9 * unit.amu + q_Ar = 0.0 * unit.elementary_charge + sigma_Ar = 3.350 * unit.angstrom + epsilon_Ar = 0.001603 * unit.kilojoule_per_mole + + scaleStepSizeX = 1.0 + scaleStepSizeY = 1.0 + scaleStepSizeZ = 1.0 + + # Determine total number of atoms. + natoms = nx * ny * nz + + # Create an empty system object. + system = openmm.System() + + # Create a NonbondedForce object with no cutoff. + nb = openmm.NonbondedForce() + nb.setNonbondedMethod(openmm.NonbondedForce.NoCutoff) + + positions = unit.Quantity(np.zeros([natoms,3],np.float32), unit.angstrom) + + atom_index = 0 + for ii in range(nx): + for jj in range(ny): + for kk in range(nz): + system.addParticle(mass_Ar) + nb.addParticle(q_Ar, sigma_Ar, epsilon_Ar) + x = sigma_Ar*scaleStepSizeX*(ii - nx/2.0) + y = sigma_Ar*scaleStepSizeY*(jj - ny/2.0) + z = sigma_Ar*scaleStepSizeZ*(kk - nz/2.0) + + positions[atom_index,0] = x + positions[atom_index,1] = y + positions[atom_index,2] = z + atom_index += 1 + + # Add the nonbonded force. + system.addForce(nb) + + # Add a restrining potential centered at the origin. + force = openmm.CustomExternalForce('(K/2.0) * (x^2 + y^2 + z^2)') + force.addGlobalParameter('K', K) + for particle_index in range(natoms): + force.addParticle(particle_index, []) + system.addForce(force) + + # Alchemically modify system. + alchemical_atom_indices = [0] + delta = 1.0e-5 + alchemical_state = AlchemicalState(0, 0, 1-delta, 1, annihilateElectrostatics=True, annihilateSterics=False) + self._alchemicallyModifyLennardJones(system, nb, alchemical_atom_indices, alchemical_state) + + self.system, self.positions = system, positions + + diff --git a/tests-nose/test_testsystems.py b/tests-nose/test_testsystems.py new file mode 100644 index 000000000..37b60c486 --- /dev/null +++ b/tests-nose/test_testsystems.py @@ -0,0 +1,62 @@ +import numpy as np + +from simtk import unit +from simtk import openmm + +import tempfile +import logging + +import testsystems + +def test_doctest(): + import doctest + doctest.testmod(testsystems) + +def test_properties_all_testsystems(): + testsystem_classes = testsystems.TestSystem.__subclasses__() + logging.info("Testing analytical property computation:") + for testsystem_class in testsystem_classes: + class_name = testsystem_class.__name__ + logging.info(class_name) + print class_name # DEBUG + testsystem = testsystem_class() + property_list = testsystem.analytical_properties + state = testsystems.ThermodynamicState(temperature=300.0*unit.kelvin, pressure=1.0*unit.atmosphere) + if len(property_list) > 0: + for property_name in property_list: + method = getattr(testsystem, 'get_' + property_name) + logging.info("%32s . %32s : %32s" % (class_name, property_name, str(method(state)))) + +fast_testsystems = ["HarmonicOscillator", "PowerOscillator", "Diatom", "ConstraintCoupledHarmonicOscillator", "HarmonicOscillatorArray", "SodiumChlorideCrystal", "LennardJonesCluster", "LennardJonesFluid", "IdealGas", "AlanineDipeptideVacuum"] + +def test_energy_all_testsystems(): + + testsystem_classes = testsystems.TestSystem.__subclasses__() + + for testsystem_class in testsystem_classes: + class_name = testsystem_class.__name__ + if class_name in fast_testsystems: + logging.info("Testing potential energy test for testsystem %s" % class_name) + else: + logging.info("Skipping potential energy test for testsystem %s." % class_name) + continue + + # Create system. + testsystem = testsystem_class() + + # Create a Context. + timestep = 1.0 * unit.femtoseconds + integrator = openmm.VerletIntegrator(timestep) + context = openmm.Context(testsystem.system, integrator) + context.setPositions(testsystem.positions) + + # Compute potential energy to make sure it is finite. + openmm_state = context.getState(getEnergy=True) + potential_energy = openmm_state.getPotentialEnergy() + + # Check if finite. + if np.isnan(potential_energy / unit.kilocalories_per_mole): + raise Exception("Energy of test system %s is NaN." % class_name) + + # Clean up + del context, integrator