diff --git a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py index 6e9394a..fef4f69 100644 --- a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py +++ b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py @@ -147,7 +147,7 @@ def postprocessing(self, ligand_scores_list: zip, mol_score_list = mol_score_dict[fprefix] mol_score_list.sort(key=lambda x: x[1], reverse=False) logging.debug([item[1] for item in mol_score_list]) - logging.info(f"docking result pose num: {len(mol_score_list)}, keep num: {topn_conf}") + logging.debug(f"docking result pose num: {len(mol_score_list)}, keep num: {topn_conf}") self.mol_group.update_mol_confs_by_file_prefix(fprefix, [mol for mol, _ in mol_score_list[:topn_conf]]) self.mol_group.update_property_by_file_prefix(fprefix, property_name=score_name, diff --git a/unidock_tools/src/unidock_tools/modules/docking/unidock.py b/unidock_tools/src/unidock_tools/modules/docking/unidock.py index aed5b38..d1ebec8 100644 --- a/unidock_tools/src/unidock_tools/modules/docking/unidock.py +++ b/unidock_tools/src/unidock_tools/modules/docking/unidock.py @@ -203,8 +203,8 @@ def run(self): ) logging.debug(f"Run Uni-Dock log: {resp.stdout}") if resp.returncode != 0: - logging.info(f"Run Uni-Dock log: {resp.stdout}") - logging.error(f"Run Uni-Dock error: {resp.stderr}") + logging.info(f"Run Uni-Dock log\n{resp.stdout}") + logging.error(f"Run Uni-Dock error\n{resp.stderr}") result_ligands = [f for f in self.pre_result_ligands if os.path.exists(f)] return result_ligands diff --git a/unidock_tools/src/unidock_tools/utils/mol_group.py b/unidock_tools/src/unidock_tools/utils/mol_group.py index a74a09e..6cc45a9 100644 --- a/unidock_tools/src/unidock_tools/utils/mol_group.py +++ b/unidock_tools/src/unidock_tools/utils/mol_group.py @@ -91,9 +91,10 @@ def _initialize(self, ligand_files: List[Path]): for ligand_file in ligand_files: file_prefix = ligand_file.stem mols = read_ligand(ligand_file) - for mol in mols: + for i, mol in enumerate(mols): if mol: - self.mol_group.append(Mol(mol, {"file_prefix": file_prefix})) + self.mol_group.append(Mol(mol, {"file_prefix": f"{file_prefix}_{i}" if len(mols) > 1 + else file_prefix})) def update_property_by_idx(self, idx: int, property_name: str, value: Any, is_conf_prop: bool = False): if is_conf_prop: diff --git a/unidock_tools/tests/applications/test_unidock.py b/unidock_tools/tests/applications/test_unidock.py index a1de274..c7710f5 100644 --- a/unidock_tools/tests/applications/test_unidock.py +++ b/unidock_tools/tests/applications/test_unidock.py @@ -1,23 +1,47 @@ from pathlib import Path import os import shutil +import glob +import json import subprocess import pytest @pytest.fixture def receptor(): - return Path(os.path.join(os.path.dirname(os.path.dirname(__file__)), "inputs", "1bcu_protein.pdb")) + return Path(os.path.join(os.path.dirname(os.path.dirname(__file__)), "inputs", + "unidock_pipeline", "1bcu", "protein.pdb")) @pytest.fixture def ligand(): - return Path(os.path.join(os.path.dirname(os.path.dirname(__file__)), "inputs", "1bcu_ligand.sdf")) + return Path(os.path.join(os.path.dirname(os.path.dirname(__file__)), "inputs", + "unidock_pipeline", "1bcu", "ligand.sdf")) @pytest.fixture def pocket(): - return [5.0, 15.0, 50.0, 15, 15, 15] + with open(os.path.join(os.path.dirname(os.path.dirname(__file__)), "inputs", + "unidock_pipeline", "1bcu", "docking_grid.json")) as f: + pocket = json.load(f) + return pocket + + +testset_dir_path = Path(__file__).parent.parent / "inputs" / "unidock_pipeline" +testset_name_list = ["bigsdf", "1bcu"] + + +def get_docking_args(testset_name): + receptor = os.path.join(testset_dir_path, testset_name, "protein.pdb") + ligand = os.path.join(testset_dir_path, testset_name, "ligand.sdf") + with open(os.path.join(testset_dir_path, testset_name, "docking_grid.json")) as f: + pocket = json.load(f) + testset_info = { + "receptor": receptor, + "ligand": ligand, + "pocket": pocket, + } + return testset_info def read_scores(sdf_file, score_name): @@ -31,39 +55,21 @@ def read_scores(sdf_file, score_name): return score_list -def test_unidock_pipeline_default(receptor, ligand, pocket): - results_dir = "unidock_results" - cmd = f"unidocktools unidock_pipeline -r {receptor} -l {ligand} -sd {results_dir} \ - -cx {pocket[0]} -cy {pocket[1]} -cz {pocket[2]} -sx {pocket[3]} -sy {pocket[4]} -sz {pocket[5]} \ - -sf vina -nm 1" - print(cmd) - resp = subprocess.run(cmd, shell=True, capture_output=True, encoding="utf-8") - print(resp.stdout) - assert resp.returncode == 0, f"run unidock pipeline app err:\n{resp.stderr}" - - result_file = os.path.join(results_dir, "1bcu_ligand.sdf") - assert os.path.exists(result_file), f"docking result file not found" - - score_list = read_scores(result_file, "docking_score") - score = score_list[0] - assert -20 <= score <= 0, f"Uni-Dock score not in range: {score}" - shutil.rmtree(results_dir, ignore_errors=True) - - def test_unidock_pipeline_ligand_index(receptor, ligand, pocket): index_file = Path("ligand_index.txt") with open(index_file, "w") as f: f.write(str(ligand)) results_dir = "unidock_results_input_index" cmd = f"unidocktools unidock_pipeline -r {receptor} -i {index_file} -sd {results_dir} \ - -cx {pocket[0]} -cy {pocket[1]} -cz {pocket[2]} -sx {pocket[3]} -sy {pocket[4]} -sz {pocket[5]} \ - -sf vina -nm 1" + -cx {pocket['center_x']} -cy {pocket['center_y']} -cz {pocket['center_z']} \ + -sx {pocket['size_x']} -sy {pocket['size_y']} -sz {pocket['size_z']} \ + -sf vina -nm 1 --seed 181129" print(cmd) resp = subprocess.run(cmd, shell=True, capture_output=True, encoding="utf-8") print(resp.stdout) assert resp.returncode == 0, f"run unidock pipeline app err:\n{resp.stderr}" - result_file = os.path.join(results_dir, "1bcu_ligand.sdf") + result_file = os.path.join(results_dir, Path(ligand).name) assert os.path.exists(result_file), f"docking result file not found" score_list = read_scores(result_file, "docking_score") @@ -76,14 +82,15 @@ def test_unidock_pipeline_ligand_index(receptor, ligand, pocket): def test_unidock_pipeline_scoring_ad4(receptor, ligand, pocket): results_dir = "unidock_results_ad4" cmd = f"unidocktools unidock_pipeline -r {receptor} -l {ligand} -sd {results_dir} \ - -cx {pocket[0]} -cy {pocket[1]} -cz {pocket[2]} -sx {pocket[3]} -sy {pocket[4]} -sz {pocket[5]} \ - -sf ad4 -nm 1" + -cx {pocket['center_x']} -cy {pocket['center_y']} -cz {pocket['center_z']} \ + -sx {pocket['size_x']} -sy {pocket['size_y']} -sz {pocket['size_z']} \ + -sf ad4 -nm 1 --seed 181129" print(cmd) resp = subprocess.run(cmd, shell=True, capture_output=True, encoding="utf-8") print(resp.stdout) assert resp.returncode == 0, f"run unidock pipeline app err:\n{resp.stderr}" - result_file = os.path.join(results_dir, "1bcu_ligand.sdf") + result_file = os.path.join(results_dir, Path(ligand).name) assert os.path.exists(result_file), f"docking result file not found" score_list = read_scores(result_file, "docking_score") @@ -95,18 +102,45 @@ def test_unidock_pipeline_scoring_ad4(receptor, ligand, pocket): def test_unidock_pipeline_multi_pose(receptor, ligand, pocket): results_dir = "unidock_results_multi_pose" cmd = f"unidocktools unidock_pipeline -r {receptor} -l {ligand} -sd {results_dir} \ - -cx {pocket[0]} -cy {pocket[1]} -cz {pocket[2]} -sx {pocket[3]} -sy {pocket[4]} -sz {pocket[5]} \ - -sf vina -nm 4" + -cx {pocket['center_x']} -cy {pocket['center_y']} -cz {pocket['center_z']} \ + -sx {pocket['size_x']} -sy {pocket['size_y']} -sz {pocket['size_z']} \ + -sf vina -nm 4 --seed 181129" print(cmd) resp = subprocess.run(cmd, shell=True, capture_output=True, encoding="utf-8") print(resp.stdout) assert resp.returncode == 0, f"run unidock pipeline app err:\n{resp.stderr}" - result_file = os.path.join(results_dir, "1bcu_ligand.sdf") + result_file = os.path.join(results_dir, Path(ligand).name) assert os.path.exists(result_file), f"docking result file not found" score_list = read_scores(result_file, "docking_score") assert len(score_list) == 4, f"docking result pose num({len(score_list)}) not match" for score in score_list: assert -20 <= score <= 0, f"Uni-Dock score not in range: {score}" + shutil.rmtree(results_dir, ignore_errors=True) + + +@pytest.mark.parametrize("testset_name", testset_name_list) +def test_unidock_pipeline_default_arg(testset_name): + testset_info = get_docking_args(testset_name) + receptor, ligand, pocket = testset_info["receptor"], testset_info["ligand"], testset_info["pocket"] + with open(ligand) as f: + total_num = len([line for line in f.readlines() if line.strip() == "$$$$"]) + results_dir = f"unidock_results_{testset_name}" + cmd = f"unidocktools unidock_pipeline -r {receptor} -l {ligand} -sd {results_dir} \ + -cx {pocket['center_x']} -cy {pocket['center_y']} -cz {pocket['center_z']} \ + -sx {pocket['size_x']} -sy {pocket['size_y']} -sz {pocket['size_z']} \ + -sf vina -nm 1 --seed 181129" + print(cmd) + resp = subprocess.run(cmd, shell=True, capture_output=True, encoding="utf-8") + print(resp.stdout) + assert resp.returncode == 0, f"run unidock pipeline app err:\n{resp.stderr}" + + result_files = glob.glob(os.path.join(results_dir, "*.sdf")) + assert len(result_files) == total_num, f"failed to run all ligands" + + for result_file in result_files: + score_list = read_scores(result_file, "docking_score") + score = score_list[0] + assert score <= 0, f"Uni-Dock score is abnormal" shutil.rmtree(results_dir, ignore_errors=True) \ No newline at end of file diff --git a/unidock_tools/tests/inputs/unidock_pipeline/1bcu/docking_grid.json b/unidock_tools/tests/inputs/unidock_pipeline/1bcu/docking_grid.json new file mode 100644 index 0000000..ba6a33a --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/1bcu/docking_grid.json @@ -0,0 +1,8 @@ +{ + "center_x": 5.0, + "center_y": 15.0, + "center_z": 50.0, + "size_x": 15, + "size_y": 15, + "size_z": 15 +} \ No newline at end of file diff --git a/unidock_tools/tests/inputs/1bcu_ligand.sdf b/unidock_tools/tests/inputs/unidock_pipeline/1bcu/ligand.sdf similarity index 100% rename from unidock_tools/tests/inputs/1bcu_ligand.sdf rename to unidock_tools/tests/inputs/unidock_pipeline/1bcu/ligand.sdf diff --git a/unidock_tools/tests/inputs/1bcu_protein.pdb b/unidock_tools/tests/inputs/unidock_pipeline/1bcu/protein.pdb similarity index 100% rename from unidock_tools/tests/inputs/1bcu_protein.pdb rename to unidock_tools/tests/inputs/unidock_pipeline/1bcu/protein.pdb diff --git a/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/docking_grid.json b/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/docking_grid.json new file mode 100644 index 0000000..914b9d0 --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/docking_grid.json @@ -0,0 +1,8 @@ +{ + "center_x": -16, + "center_y": -17, + 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2.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9223 -4.8336 1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6636 -4.8761 3.6276 N 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0095 -6.2959 3.5233 C 0 0 2 0 0 0 0 0 0 0 0 0 + 1.2806 -6.8019 2.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9999 -6.9174 4.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2687 -6.2442 5.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 + 1.6926 -8.2214 5.0433 N 0 0 0 0 0 0 0 0 0 0 0 0 + 1.4759 -9.0767 3.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.1146 -9.7659 4.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.0545 -10.5077 5.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2062 -9.5069 6.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5741 -8.8161 6.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2908 -11.2259 5.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3030 -12.0551 6.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8624 -13.3650 6.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.8736 -14.1257 7.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3250 -13.5762 9.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7646 -12.2661 9.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.7494 -11.5041 7.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 + 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3.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1871 -4.7012 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4218 -5.8588 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6944 -6.2302 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 1 36 1 0 + 1 37 1 0 + 1 38 1 0 + 2 3 1 0 + 2 39 1 0 + 2 40 1 0 + 3 4 1 0 + 3 41 1 0 + 3 42 1 0 + 4 5 1 0 + 4 43 1 0 + 4 44 1 0 + 5 6 1 1 + 5 7 1 0 + 5 12 1 0 + 7 8 1 0 + 7 45 1 0 + 7 46 1 0 + 8 9 1 0 + 8 11 1 0 + 9 10 2 0 + 9 47 1 0 + 11 48 1 0 + 12 13 2 0 + 12 14 1 0 + 14 15 1 0 + 14 49 1 0 + 15 16 1 6 + 15 17 1 0 + 15 32 1 0 + 17 18 2 0 + 17 19 1 0 + 19 24 1 0 + 19 20 1 0 + 20 21 1 0 + 20 50 1 0 + 20 51 1 0 + 21 22 1 0 + 21 52 1 0 + 21 53 1 0 + 22 23 1 0 + 22 25 1 0 + 22 54 1 0 + 23 24 1 0 + 23 55 1 0 + 23 56 1 0 + 24 57 1 0 + 24 58 1 0 + 25 26 1 0 + 25 59 1 0 + 25 60 1 0 + 26 31 1 0 + 26 27 2 0 + 27 28 1 0 + 27 61 1 0 + 28 29 2 0 + 28 62 1 0 + 29 30 1 0 + 29 63 1 0 + 30 31 2 0 + 30 64 1 0 + 31 65 1 0 + 32 33 1 0 + 32 34 1 0 + 32 35 1 0 + 33 66 1 0 + 33 67 1 0 + 33 68 1 0 + 34 69 1 0 + 34 70 1 0 + 34 71 1 0 + 35 72 1 0 + 35 73 1 0 + 35 74 1 0 +M END +$$$$ +CHEMBL365910 + RDKit 3D + + 76 76 0 0 1 0 0 0 0 0999 V2000 + -0.5393 0.6503 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.2703 -0.6371 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.3293 -0.4359 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6647 -1.7785 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9559 -0.9843 -1.5016 C 0 0 1 0 0 0 0 0 0 0 0 0 + 1.0374 -2.0670 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.1478 -0.4348 -2.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 + 0.6940 0.1067 -3.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2135 -0.5592 -2.6118 N 0 0 0 0 0 0 0 0 0 0 0 0 + -1.9275 0.0095 -3.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.5878 1.3227 -3.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4585 2.3472 -4.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.1814 3.6362 -4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4192 4.8402 -4.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2354 5.8831 -3.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9399 6.6600 -3.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3430 7.0882 -2.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1833 7.1097 -2.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.7924 6.8766 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1225 6.1348 -1.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2522 5.0953 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1512 3.9506 -0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7753 2.6673 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.7943 1.4886 -0.8961 C 0 0 1 0 0 0 0 0 0 0 0 0 + 4.5568 0.7736 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4459 0.8159 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5011 1.3314 -0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.3040 -0.3816 -1.5337 N 0 0 0 0 0 0 0 0 0 0 0 0 + 4.1121 1.9965 -2.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4984 2.4676 -2.3518 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5113 1.5791 -2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.6595 1.9662 -2.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7743 3.8565 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.1326 1.5081 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.0629 0.6284 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2645 0.7315 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.8408 -0.1886 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9061 -1.3531 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9954 0.3773 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.3630 -1.9815 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0775 -2.6734 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2197 -1.4939 1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6775 -0.9882 -1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2182 0.2003 -4.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.6907 -0.6910 -4.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6424 1.1470 -3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0957 1.7039 -2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4046 2.5614 -4.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9054 1.9446 -5.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.1922 3.6259 -4.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.2285 3.7073 -3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4426 4.5169 -5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.9836 5.2783 -5.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0795 6.5727 -3.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.1834 5.3829 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.2287 6.0247 -4.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 + -1.1535 7.5438 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.7036 8.0843 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.6444 6.3820 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5122 6.3228 -3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.5079 8.0778 -2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.9633 7.8361 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1078 6.2795 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.1551 5.6350 -2.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9450 6.8466 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6908 5.5617 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2657 4.7038 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0179 3.8021 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1926 4.1980 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4928 2.4879 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.7766 2.7721 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.0460 -0.8128 -1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.9786 1.1867 -3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4404 2.8178 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3004 0.5225 -2.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.7169 4.0700 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 + 1 34 1 0 + 1 35 1 0 + 1 36 1 0 + 2 3 1 0 + 2 4 1 0 + 2 5 1 0 + 3 37 1 0 + 3 38 1 0 + 3 39 1 0 + 4 40 1 0 + 4 41 1 0 + 4 42 1 0 + 5 6 1 6 + 5 28 1 0 + 5 7 1 0 + 7 8 2 0 + 7 9 1 0 + 9 10 1 0 + 9 43 1 0 + 10 11 1 0 + 10 44 1 0 + 10 45 1 0 + 11 12 1 0 + 11 46 1 0 + 11 47 1 0 + 12 13 1 0 + 12 48 1 0 + 12 49 1 0 + 13 14 1 0 + 13 50 1 0 + 13 51 1 0 + 14 15 1 0 + 14 52 1 0 + 14 53 1 0 + 15 16 1 0 + 15 54 1 0 + 15 55 1 0 + 16 17 1 0 + 16 56 1 0 + 16 57 1 0 + 17 18 1 0 + 17 58 1 0 + 17 59 1 0 + 18 19 1 0 + 18 60 1 0 + 18 61 1 0 + 19 20 1 0 + 19 62 1 0 + 19 63 1 0 + 20 21 1 0 + 20 64 1 0 + 20 65 1 0 + 21 22 1 0 + 21 66 1 0 + 21 67 1 0 + 22 23 1 0 + 22 68 1 0 + 22 69 1 0 + 23 24 1 0 + 23 70 1 0 + 23 71 1 0 + 24 25 1 1 + 24 26 1 0 + 24 29 1 0 + 26 27 2 0 + 26 28 1 0 + 28 72 1 0 + 29 30 1 0 + 29 73 1 0 + 29 74 1 0 + 30 31 1 0 + 30 33 1 0 + 31 32 2 0 + 31 75 1 0 + 33 76 1 0 +M END +$$$$ diff --git a/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/protein.pdb b/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/protein.pdb new file mode 100644 index 0000000..bdc65a3 --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/bigsdf/protein.pdb @@ -0,0 +1,4973 @@ +HEADER TRANSFERASE 27-MAR-15 4ui5 +REMARK 4 4ui5 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +TITLE CRYSTAL STRUCTURE OF HUMAN TANKYRASE 2 IN COMPLEX WITH TA- +TITLE 2 41 +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 1.65 ANGSTROMS +REMARK 200 TEMPERATURE (KELVIN) : 100.00 +REMARK 200 PH : 8.50 +CRYST1 91.100 98.340 118.730 90.00 90.00 90.00 C 2 2 21 16 +MODEL 1 +ATOM 1 CH3 ACE A 951 -18.384 -30.888 -5.280 1.00 0.00 C +ATOM 2 C ACE A 951 -18.239 -29.878 -4.147 1.00 0.00 C +ATOM 3 O ACE A 951 -19.161 -29.718 -3.348 1.00 0.00 O +ATOM 4 1H ACE A 951 -19.260 -30.650 -5.883 1.00 0.00 H +ATOM 5 2H ACE A 951 -17.513 -30.887 -5.935 1.00 0.00 H +ATOM 6 3H ACE A 951 -18.507 -31.891 -4.873 1.00 0.00 H +ATOM 7 N GLY A 952 -17.084 -29.194 -4.091 1.00 28.31 N +ATOM 8 CA GLY A 952 -16.780 -28.149 -3.108 1.00 26.20 C +ATOM 9 C GLY A 952 -17.510 -26.827 -3.404 1.00 24.13 C +ATOM 10 O GLY A 952 -17.552 -25.958 -2.534 1.00 25.12 O +ATOM 11 H1 GLY A 952 -16.384 -29.368 -4.798 1.00 0.00 H +ATOM 12 HA3 GLY A 952 -15.707 -27.957 -3.118 1.00 0.00 H +ATOM 13 HA2 GLY A 952 -17.033 -28.491 -2.104 1.00 0.00 H +ATOM 14 N THR A 953 -18.078 -26.671 -4.612 1.00 19.82 N +ATOM 15 CA THR A 953 -18.896 -25.528 -5.007 1.00 19.66 C +ATOM 16 C THR A 953 -20.345 -25.712 -4.532 1.00 19.73 C +ATOM 17 O THR A 953 -20.909 -26.793 -4.706 1.00 22.56 O +ATOM 18 CB THR A 953 -18.933 -25.374 -6.550 1.00 19.59 C +ATOM 19 CG2 THR A 953 -19.838 -24.255 -7.102 1.00 20.07 C +ATOM 20 OG1 THR A 953 -17.621 -25.138 -7.012 1.00 18.93 O +ATOM 21 H THR A 953 -17.995 -27.409 -5.298 1.00 0.00 H +ATOM 22 HA THR A 953 -18.475 -24.621 -4.576 1.00 0.00 H +ATOM 23 HB THR A 953 -19.256 -26.316 -6.989 1.00 0.00 H +ATOM 24 HG21 THR A 953 -19.718 -24.147 -8.181 1.00 0.00 H +ATOM 25 HG22 THR A 953 -20.896 -24.456 -6.927 1.00 0.00 H +ATOM 26 HG23 THR A 953 -19.601 -23.297 -6.639 1.00 0.00 H +ATOM 27 HG1 THR A 953 -17.664 -24.817 -7.920 1.00 0.00 H +ATOM 28 N ILE A 954 -20.927 -24.625 -4.006 1.00 18.38 N +ATOM 29 CA ILE A 954 -22.365 -24.492 -3.781 1.00 20.74 C +ATOM 30 C ILE A 954 -22.867 -23.254 -4.546 1.00 20.44 C +ATOM 31 O ILE A 954 -22.108 -22.303 -4.750 1.00 19.67 O +ATOM 32 CB ILE A 954 -22.726 -24.359 -2.269 1.00 24.45 C +ATOM 33 CG1 ILE A 954 -22.251 -23.052 -1.585 1.00 25.81 C +ATOM 34 CG2 ILE A 954 -22.263 -25.611 -1.497 1.00 24.54 C +ATOM 35 CD1 ILE A 954 -22.669 -22.917 -0.115 1.00 28.81 C +ATOM 36 H ILE A 954 -20.388 -23.778 -3.886 1.00 0.00 H +ATOM 37 HA ILE A 954 -22.893 -25.358 -4.186 1.00 0.00 H +ATOM 38 HB ILE A 954 -23.816 -24.358 -2.212 1.00 0.00 H +ATOM 39 HG13 ILE A 954 -22.647 -22.182 -2.107 1.00 0.00 H +ATOM 40 HG12 ILE A 954 -21.166 -22.983 -1.654 1.00 0.00 H +ATOM 41 HG21 ILE A 954 -22.666 -25.635 -0.485 1.00 0.00 H +ATOM 42 HG22 ILE A 954 -22.596 -26.523 -1.995 1.00 0.00 H +ATOM 43 HG23 ILE A 954 -21.176 -25.656 -1.422 1.00 0.00 H +ATOM 44 HD11 ILE A 954 -22.655 -21.871 0.195 1.00 0.00 H +ATOM 45 HD12 ILE A 954 -23.678 -23.295 0.051 1.00 0.00 H +ATOM 46 HD13 ILE A 954 -21.990 -23.463 0.540 1.00 0.00 H +ATOM 47 N LEU A 955 -24.143 -23.305 -4.952 1.00 18.38 N +ATOM 48 CA LEU A 955 -24.831 -22.225 -5.651 1.00 18.24 C +ATOM 49 C LEU A 955 -25.885 -21.637 -4.707 1.00 19.05 C +ATOM 50 O LEU A 955 -26.698 -22.388 -4.168 1.00 20.51 O +ATOM 51 CB LEU A 955 -25.485 -22.777 -6.934 1.00 18.03 C +ATOM 52 CG LEU A 955 -24.488 -23.285 -8.001 1.00 19.15 C +ATOM 53 CD1 LEU A 955 -25.231 -23.967 -9.169 1.00 19.05 C +ATOM 54 CD2 LEU A 955 -23.523 -22.182 -8.486 1.00 19.82 C +ATOM 55 H LEU A 955 -24.704 -24.117 -4.739 1.00 0.00 H +ATOM 56 HA LEU A 955 -24.133 -21.435 -5.924 1.00 0.00 H +ATOM 57 HB3 LEU A 955 -26.099 -21.996 -7.379 1.00 0.00 H +ATOM 58 HB2 LEU A 955 -26.171 -23.582 -6.667 1.00 0.00 H +ATOM 59 HG LEU A 955 -23.879 -24.062 -7.537 1.00 0.00 H +ATOM 60 HD11 LEU A 955 -24.809 -24.952 -9.374 1.00 0.00 H +ATOM 61 HD12 LEU A 955 -26.290 -24.111 -8.951 1.00 0.00 H +ATOM 62 HD13 LEU A 955 -25.180 -23.394 -10.092 1.00 0.00 H +ATOM 63 HD21 LEU A 955 -23.379 -22.198 -9.565 1.00 0.00 H +ATOM 64 HD22 LEU A 955 -23.874 -21.183 -8.225 1.00 0.00 H +ATOM 65 HD23 LEU A 955 -22.539 -22.312 -8.034 1.00 0.00 H +ATOM 66 N ILE A 956 -25.840 -20.309 -4.528 1.00 18.84 N +ATOM 67 CA ILE A 956 -26.719 -19.566 -3.627 1.00 19.78 C +ATOM 68 C ILE A 956 -27.502 -18.543 -4.465 1.00 19.96 C +ATOM 69 O ILE A 956 -26.910 -17.571 -4.935 1.00 18.56 O +ATOM 70 CB ILE A 956 -25.895 -18.808 -2.536 1.00 21.10 C +ATOM 71 CG1 ILE A 956 -24.980 -19.748 -1.714 1.00 23.59 C +ATOM 72 CG2 ILE A 956 -26.762 -17.935 -1.600 1.00 21.01 C +ATOM 73 CD1 ILE A 956 -25.696 -20.900 -0.989 1.00 24.82 C +ATOM 74 H ILE A 956 -25.130 -19.766 -5.002 1.00 0.00 H +ATOM 75 HA ILE A 956 -27.435 -20.227 -3.136 1.00 0.00 H +ATOM 76 HB ILE A 956 -25.214 -18.125 -3.045 1.00 0.00 H +ATOM 77 HG13 ILE A 956 -24.416 -19.161 -0.987 1.00 0.00 H +ATOM 78 HG12 ILE A 956 -24.223 -20.175 -2.372 1.00 0.00 H +ATOM 79 HG21 ILE A 956 -26.150 -17.463 -0.831 1.00 0.00 H +ATOM 80 HG22 ILE A 956 -27.262 -17.129 -2.137 1.00 0.00 H +ATOM 81 HG23 ILE A 956 -27.530 -18.522 -1.097 1.00 0.00 H +ATOM 82 HD11 ILE A 956 -25.277 -21.052 0.005 1.00 0.00 H +ATOM 83 HD12 ILE A 956 -26.764 -20.718 -0.868 1.00 0.00 H +ATOM 84 HD13 ILE A 956 -25.582 -21.835 -1.538 1.00 0.00 H +ATOM 85 N ASP A 957 -28.815 -18.781 -4.637 1.00 20.11 N +ATOM 86 CA ASP A 957 -29.731 -17.899 -5.372 1.00 21.69 C +ATOM 87 C ASP A 957 -29.847 -16.523 -4.698 1.00 21.00 C +ATOM 88 O ASP A 957 -30.080 -16.457 -3.489 1.00 22.37 O +ATOM 89 CB ASP A 957 -31.163 -18.462 -5.585 1.00 24.88 C +ATOM 90 CG ASP A 957 -31.302 -19.857 -6.208 1.00 28.31 C +ATOM 91 OD1 ASP A 957 -30.307 -20.608 -6.277 1.00 29.70 O +ATOM 92 OD2 ASP A 957 -32.451 -20.178 -6.584 1.00 33.48 O1- +ATOM 93 H ASP A 957 -29.234 -19.603 -4.221 1.00 0.00 H +ATOM 94 HA ASP A 957 -29.298 -17.755 -6.363 1.00 0.00 H +ATOM 95 HB3 ASP A 957 -31.698 -17.766 -6.232 1.00 0.00 H +ATOM 96 HB2 ASP A 957 -31.684 -18.486 -4.627 1.00 0.00 H +ATOM 97 N LEU A 958 -29.720 -15.461 -5.506 1.00 20.64 N +ATOM 98 CA LEU A 958 -29.961 -14.081 -5.095 1.00 20.36 C +ATOM 99 C LEU A 958 -31.429 -13.733 -5.372 1.00 20.93 C +ATOM 100 O LEU A 958 -31.925 -14.033 -6.458 1.00 21.79 O +ATOM 101 CB LEU A 958 -29.030 -13.135 -5.884 1.00 21.52 C +ATOM 102 CG LEU A 958 -27.521 -13.335 -5.634 1.00 23.14 C +ATOM 103 CD1 LEU A 958 -26.683 -12.510 -6.634 1.00 25.30 C +ATOM 104 CD2 LEU A 958 -27.133 -13.056 -4.165 1.00 26.46 C +ATOM 105 H LEU A 958 -29.523 -15.600 -6.489 1.00 0.00 H +ATOM 106 HA LEU A 958 -29.767 -13.970 -4.028 1.00 0.00 H +ATOM 107 HB3 LEU A 958 -29.280 -12.102 -5.641 1.00 0.00 H +ATOM 108 HB2 LEU A 958 -29.227 -13.255 -6.950 1.00 0.00 H +ATOM 109 HG LEU A 958 -27.292 -14.382 -5.838 1.00 0.00 H +ATOM 110 HD11 LEU A 958 -26.001 -13.157 -7.186 1.00 0.00 H +ATOM 111 HD12 LEU A 958 -27.303 -11.996 -7.369 1.00 0.00 H +ATOM 112 HD13 LEU A 958 -26.079 -11.747 -6.147 1.00 0.00 H +ATOM 113 HD21 LEU A 958 -26.285 -12.379 -4.070 1.00 0.00 H +ATOM 114 HD22 LEU A 958 -27.951 -12.609 -3.600 1.00 0.00 H +ATOM 115 HD23 LEU A 958 -26.861 -13.984 -3.660 1.00 0.00 H +ATOM 116 N SER A 959 -32.088 -13.082 -4.402 1.00 21.00 N +ATOM 117 CA SER A 959 -33.456 -12.572 -4.534 1.00 22.10 C +ATOM 118 C SER A 959 -33.520 -11.446 -5.592 1.00 20.73 C +ATOM 119 O SER A 959 -32.623 -10.605 -5.588 1.00 20.64 O +ATOM 120 CB SER A 959 -33.894 -12.049 -3.150 1.00 23.44 C +ATOM 121 OG SER A 959 -35.203 -11.512 -3.180 1.00 26.33 O +ATOM 122 H SER A 959 -31.610 -12.856 -3.540 1.00 0.00 H +ATOM 123 HA SER A 959 -34.093 -13.415 -4.792 1.00 0.00 H +ATOM 124 HB3 SER A 959 -33.212 -11.277 -2.791 1.00 0.00 H +ATOM 125 HB2 SER A 959 -33.872 -12.858 -2.419 1.00 0.00 H +ATOM 126 HG SER A 959 -35.446 -11.246 -2.289 1.00 0.00 H +ATOM 127 N PRO A 960 -34.577 -11.403 -6.440 1.00 21.22 N +ATOM 128 CA PRO A 960 -34.878 -10.238 -7.303 1.00 21.64 C +ATOM 129 C PRO A 960 -34.890 -8.855 -6.621 1.00 23.20 C +ATOM 130 O PRO A 960 -34.530 -7.870 -7.264 1.00 22.51 O +ATOM 131 CB PRO A 960 -36.243 -10.576 -7.920 1.00 22.64 C +ATOM 132 CG PRO A 960 -36.273 -12.093 -7.942 1.00 23.59 C +ATOM 133 CD PRO A 960 -35.552 -12.472 -6.655 1.00 23.15 C +ATOM 134 HA PRO A 960 -34.132 -10.235 -8.091 1.00 0.00 H +ATOM 135 HB3 PRO A 960 -36.373 -10.148 -8.915 1.00 0.00 H +ATOM 136 HB2 PRO A 960 -37.055 -10.207 -7.290 1.00 0.00 H +ATOM 137 HG3 PRO A 960 -35.697 -12.447 -8.799 1.00 0.00 H +ATOM 138 HG2 PRO A 960 -37.277 -12.510 -8.015 1.00 0.00 H +ATOM 139 HD2 PRO A 960 -36.245 -12.496 -5.813 1.00 0.00 H +ATOM 140 HD3 PRO A 960 -35.089 -13.453 -6.761 1.00 0.00 H +ATOM 141 N ASP A 961 -35.268 -8.822 -5.332 1.00 24.14 N +ATOM 142 CA ASP A 961 -35.297 -7.633 -4.472 1.00 26.94 C +ATOM 143 C ASP A 961 -33.908 -7.200 -3.959 1.00 25.45 C +ATOM 144 O ASP A 961 -33.793 -6.087 -3.448 1.00 31.09 O +ATOM 145 CB ASP A 961 -36.264 -7.803 -3.273 1.00 29.38 C +ATOM 146 CG ASP A 961 -37.666 -8.308 -3.634 1.00 33.78 C +ATOM 147 OD1 ASP A 961 -38.133 -7.996 -4.752 1.00 40.13 O +ATOM 148 OD2 ASP A 961 -38.281 -8.937 -2.745 1.00 41.81 O1- +ATOM 149 H ASP A 961 -35.558 -9.682 -4.887 1.00 0.00 H +ATOM 150 HA ASP A 961 -35.672 -6.804 -5.075 1.00 0.00 H +ATOM 151 HB3 ASP A 961 -36.373 -6.859 -2.737 1.00 0.00 H +ATOM 152 HB2 ASP A 961 -35.822 -8.519 -2.578 1.00 0.00 H +ATOM 153 N ASP A 962 -32.885 -8.063 -4.095 1.00 24.09 N +ATOM 154 CA ASP A 962 -31.502 -7.793 -3.701 1.00 24.88 C +ATOM 155 C ASP A 962 -30.860 -6.811 -4.699 1.00 25.01 C +ATOM 156 O ASP A 962 -30.996 -6.994 -5.909 1.00 22.84 O +ATOM 157 CB ASP A 962 -30.694 -9.116 -3.614 1.00 26.58 C +ATOM 158 CG ASP A 962 -29.352 -9.050 -2.874 1.00 31.12 C +ATOM 159 OD1 ASP A 962 -28.915 -7.941 -2.495 1.00 35.44 O +ATOM 160 OD2 ASP A 962 -28.766 -10.140 -2.701 1.00 33.00 O1- +ATOM 161 H ASP A 962 -33.046 -8.951 -4.551 1.00 0.00 H +ATOM 162 HA ASP A 962 -31.529 -7.336 -2.711 1.00 0.00 H +ATOM 163 HB3 ASP A 962 -30.490 -9.485 -4.620 1.00 0.00 H +ATOM 164 HB2 ASP A 962 -31.308 -9.859 -3.106 1.00 0.00 H +ATOM 165 N LYS A 963 -30.124 -5.822 -4.165 1.00 22.48 N +ATOM 166 CA LYS A 963 -29.282 -4.887 -4.916 1.00 22.93 C +ATOM 167 C LYS A 963 -28.191 -5.587 -5.754 1.00 19.65 C +ATOM 168 O LYS A 963 -27.810 -5.060 -6.798 1.00 19.32 O +ATOM 169 CB LYS A 963 -28.664 -3.866 -3.930 1.00 27.02 C +ATOM 170 CG LYS A 963 -27.561 -4.430 -3.006 1.00 31.69 C +ATOM 171 CD LYS A 963 -27.023 -3.411 -1.994 1.00 34.35 C +ATOM 172 CE LYS A 963 -25.876 -4.002 -1.161 1.00 37.76 C +ATOM 173 NZ LYS A 963 -25.312 -3.016 -0.225 1.00 43.10 N1+ +ATOM 174 H LYS A 963 -30.064 -5.750 -3.158 1.00 0.00 H +ATOM 175 HA LYS A 963 -29.935 -4.346 -5.604 1.00 0.00 H +ATOM 176 HB3 LYS A 963 -29.458 -3.418 -3.331 1.00 0.00 H +ATOM 177 HB2 LYS A 963 -28.232 -3.046 -4.505 1.00 0.00 H +ATOM 178 HG3 LYS A 963 -26.719 -4.778 -3.603 1.00 0.00 H +ATOM 179 HG2 LYS A 963 -27.934 -5.305 -2.474 1.00 0.00 H +ATOM 180 HD3 LYS A 963 -27.832 -3.091 -1.335 1.00 0.00 H +ATOM 181 HD2 LYS A 963 -26.679 -2.521 -2.522 1.00 0.00 H +ATOM 182 HE3 LYS A 963 -25.076 -4.350 -1.815 1.00 0.00 H +ATOM 183 HE2 LYS A 963 -26.224 -4.865 -0.593 1.00 0.00 H +ATOM 184 HZ1 LYS A 963 -24.547 -3.451 0.276 1.00 0.00 H +ATOM 185 HZ2 LYS A 963 -24.965 -2.218 -0.738 1.00 0.00 H +ATOM 186 HZ3 LYS A 963 -26.022 -2.720 0.429 1.00 0.00 H +ATOM 187 N GLU A 964 -27.710 -6.749 -5.276 1.00 20.55 N +ATOM 188 CA GLU A 964 -26.655 -7.534 -5.909 1.00 20.53 C +ATOM 189 C GLU A 964 -27.165 -8.330 -7.126 1.00 19.69 C +ATOM 190 O GLU A 964 -26.424 -8.454 -8.098 1.00 19.83 O +ATOM 191 CB GLU A 964 -25.982 -8.411 -4.837 1.00 23.97 C +ATOM 192 CG GLU A 964 -24.674 -9.075 -5.311 1.00 25.05 C +ATOM 193 CD GLU A 964 -23.921 -9.825 -4.210 1.00 27.97 C +ATOM 194 OE1 GLU A 964 -24.363 -9.795 -3.041 1.00 27.77 O +ATOM 195 OE2 GLU A 964 -22.878 -10.416 -4.560 1.00 26.70 O1- +ATOM 196 H GLU A 964 -28.077 -7.116 -4.407 1.00 0.00 H +ATOM 197 HA GLU A 964 -25.901 -6.833 -6.269 1.00 0.00 H +ATOM 198 HB3 GLU A 964 -26.679 -9.181 -4.502 1.00 0.00 H +ATOM 199 HB2 GLU A 964 -25.777 -7.793 -3.961 1.00 0.00 H +ATOM 200 HG3 GLU A 964 -24.003 -8.314 -5.711 1.00 0.00 H +ATOM 201 HG2 GLU A 964 -24.871 -9.769 -6.128 1.00 0.00 H +ATOM 202 N PHE A 965 -28.435 -8.777 -7.091 1.00 17.44 N +ATOM 203 CA PHE A 965 -29.154 -9.313 -8.252 1.00 17.74 C +ATOM 204 C PHE A 965 -29.368 -8.227 -9.320 1.00 17.04 C +ATOM 205 O PHE A 965 -29.092 -8.467 -10.494 1.00 15.85 O +ATOM 206 CB PHE A 965 -30.499 -9.919 -7.789 1.00 17.29 C +ATOM 207 CG PHE A 965 -31.384 -10.544 -8.859 1.00 16.71 C +ATOM 208 CD1 PHE A 965 -32.175 -9.740 -9.708 1.00 18.33 C +ATOM 209 CD2 PHE A 965 -31.345 -11.936 -9.085 1.00 18.17 C +ATOM 210 CE1 PHE A 965 -32.932 -10.325 -10.712 1.00 19.23 C +ATOM 211 CE2 PHE A 965 -32.103 -12.500 -10.101 1.00 18.88 C +ATOM 212 CZ PHE A 965 -32.890 -11.697 -10.914 1.00 19.06 C +ATOM 213 H PHE A 965 -28.988 -8.627 -6.259 1.00 0.00 H +ATOM 214 HA PHE A 965 -28.549 -10.110 -8.688 1.00 0.00 H +ATOM 215 HB3 PHE A 965 -31.093 -9.153 -7.292 1.00 0.00 H +ATOM 216 HB2 PHE A 965 -30.308 -10.674 -7.029 1.00 0.00 H +ATOM 217 HD1 PHE A 965 -32.215 -8.669 -9.568 1.00 0.00 H +ATOM 218 HD2 PHE A 965 -30.736 -12.570 -8.461 1.00 0.00 H +ATOM 219 HE1 PHE A 965 -33.557 -9.706 -11.335 1.00 0.00 H +ATOM 220 HE2 PHE A 965 -32.074 -13.566 -10.267 1.00 0.00 H +ATOM 221 HZ PHE A 965 -33.469 -12.141 -11.709 1.00 0.00 H +ATOM 222 N GLN A 966 -29.861 -7.060 -8.873 1.00 17.39 N +ATOM 223 CA GLN A 966 -30.217 -5.913 -9.704 1.00 17.28 C +ATOM 224 C GLN A 966 -29.032 -5.298 -10.462 1.00 15.81 C +ATOM 225 O GLN A 966 -29.194 -4.972 -11.635 1.00 16.72 O +ATOM 226 CB GLN A 966 -30.945 -4.864 -8.843 1.00 19.80 C +ATOM 227 CG GLN A 966 -32.360 -5.311 -8.422 1.00 20.94 C +ATOM 228 CD GLN A 966 -32.981 -4.433 -7.333 1.00 25.54 C +ATOM 229 NE2 GLN A 966 -34.074 -4.912 -6.738 1.00 28.67 N +ATOM 230 OE1 GLN A 966 -32.501 -3.341 -7.036 1.00 26.66 O +ATOM 231 H GLN A 966 -30.065 -6.964 -7.887 1.00 0.00 H +ATOM 232 HA GLN A 966 -30.917 -6.276 -10.459 1.00 0.00 H +ATOM 233 HB3 GLN A 966 -31.023 -3.920 -9.385 1.00 0.00 H +ATOM 234 HB2 GLN A 966 -30.341 -4.655 -7.959 1.00 0.00 H +ATOM 235 HG3 GLN A 966 -32.338 -6.337 -8.056 1.00 0.00 H +ATOM 236 HG2 GLN A 966 -33.021 -5.311 -9.289 1.00 0.00 H +ATOM 237 HE22 GLN A 966 -34.543 -4.375 -6.019 1.00 0.00 H +ATOM 238 HE21 GLN A 966 -34.434 -5.823 -6.991 1.00 0.00 H +ATOM 239 N SER A 967 -27.868 -5.183 -9.803 1.00 15.28 N +ATOM 240 CA SER A 967 -26.630 -4.685 -10.406 1.00 15.97 C +ATOM 241 C SER A 967 -26.018 -5.655 -11.437 1.00 16.10 C +ATOM 242 O SER A 967 -25.497 -5.186 -12.450 1.00 16.21 O +ATOM 243 CB SER A 967 -25.639 -4.274 -9.298 1.00 16.48 C +ATOM 244 OG SER A 967 -25.116 -5.382 -8.590 1.00 19.07 O +ATOM 245 H SER A 967 -27.818 -5.456 -8.831 1.00 0.00 H +ATOM 246 HA SER A 967 -26.888 -3.773 -10.948 1.00 0.00 H +ATOM 247 HB3 SER A 967 -26.115 -3.591 -8.593 1.00 0.00 H +ATOM 248 HB2 SER A 967 -24.802 -3.729 -9.735 1.00 0.00 H +ATOM 249 HG SER A 967 -25.805 -5.736 -8.022 1.00 0.00 H +ATOM 250 N VAL A 968 -26.125 -6.974 -11.191 1.00 15.38 N +ATOM 251 CA VAL A 968 -25.669 -8.015 -12.116 1.00 15.35 C +ATOM 252 C VAL A 968 -26.591 -8.134 -13.348 1.00 15.30 C +ATOM 253 O VAL A 968 -26.067 -8.293 -14.451 1.00 14.62 O +ATOM 254 CB VAL A 968 -25.507 -9.394 -11.409 1.00 15.62 C +ATOM 255 CG1 VAL A 968 -25.265 -10.590 -12.355 1.00 15.98 C +ATOM 256 CG2 VAL A 968 -24.355 -9.346 -10.388 1.00 15.67 C +ATOM 257 H VAL A 968 -26.561 -7.292 -10.337 1.00 0.00 H +ATOM 258 HA VAL A 968 -24.683 -7.721 -12.482 1.00 0.00 H +ATOM 259 HB VAL A 968 -26.424 -9.598 -10.852 1.00 0.00 H +ATOM 260 HG11 VAL A 968 -25.042 -11.499 -11.795 1.00 0.00 H +ATOM 261 HG12 VAL A 968 -26.131 -10.809 -12.978 1.00 0.00 H +ATOM 262 HG13 VAL A 968 -24.419 -10.398 -13.015 1.00 0.00 H +ATOM 263 HG21 VAL A 968 -24.326 -10.255 -9.788 1.00 0.00 H +ATOM 264 HG22 VAL A 968 -23.390 -9.249 -10.885 1.00 0.00 H +ATOM 265 HG23 VAL A 968 -24.444 -8.504 -9.702 1.00 0.00 H +ATOM 266 N GLU A 969 -27.921 -7.990 -13.163 1.00 15.54 N +ATOM 267 CA GLU A 969 -28.877 -7.887 -14.269 1.00 15.76 C +ATOM 268 C GLU A 969 -28.712 -6.593 -15.085 1.00 15.87 C +ATOM 269 O GLU A 969 -28.814 -6.661 -16.305 1.00 15.59 O +ATOM 270 CB GLU A 969 -30.342 -8.134 -13.827 1.00 17.63 C +ATOM 271 CG GLU A 969 -31.364 -7.857 -14.964 1.00 20.17 C +ATOM 272 CD GLU A 969 -32.792 -8.340 -14.732 1.00 23.28 C +ATOM 273 OE1 GLU A 969 -33.099 -8.793 -13.610 1.00 24.30 O +ATOM 274 OE2 GLU A 969 -33.569 -8.242 -15.707 1.00 22.69 O1- +ATOM 275 H GLU A 969 -28.293 -7.883 -12.228 1.00 0.00 H +ATOM 276 HA GLU A 969 -28.644 -8.707 -14.949 1.00 0.00 H +ATOM 277 HB3 GLU A 969 -30.579 -7.516 -12.960 1.00 0.00 H +ATOM 278 HB2 GLU A 969 -30.436 -9.169 -13.497 1.00 0.00 H +ATOM 279 HG3 GLU A 969 -31.015 -8.317 -15.888 1.00 0.00 H +ATOM 280 HG2 GLU A 969 -31.428 -6.786 -15.160 1.00 0.00 H +ATOM 281 N GLU A 970 -28.455 -5.449 -14.427 1.00 15.81 N +ATOM 282 CA GLU A 970 -28.288 -4.161 -15.103 1.00 17.18 C +ATOM 283 C GLU A 970 -27.091 -4.153 -16.068 1.00 16.41 C +ATOM 284 O GLU A 970 -27.246 -3.695 -17.197 1.00 15.53 O +ATOM 285 CB GLU A 970 -28.235 -3.015 -14.069 1.00 18.55 C +ATOM 286 CG GLU A 970 -28.133 -1.588 -14.655 1.00 20.32 C +ATOM 287 CD GLU A 970 -29.302 -1.216 -15.574 1.00 24.74 C +ATOM 288 OE1 GLU A 970 -30.455 -1.510 -15.183 1.00 28.42 O +ATOM 289 OE2 GLU A 970 -29.026 -0.648 -16.652 1.00 26.40 O1- +ATOM 290 H GLU A 970 -28.399 -5.443 -13.417 1.00 0.00 H +ATOM 291 HA GLU A 970 -29.182 -4.021 -15.712 1.00 0.00 H +ATOM 292 HB3 GLU A 970 -27.390 -3.176 -13.398 1.00 0.00 H +ATOM 293 HB2 GLU A 970 -29.120 -3.067 -13.435 1.00 0.00 H +ATOM 294 HG3 GLU A 970 -27.198 -1.466 -15.200 1.00 0.00 H +ATOM 295 HG2 GLU A 970 -28.103 -0.865 -13.840 1.00 0.00 H +ATOM 296 N GLU A 971 -25.955 -4.725 -15.634 1.00 16.75 N +ATOM 297 CA GLU A 971 -24.761 -4.902 -16.459 1.00 17.36 C +ATOM 298 C GLU A 971 -24.949 -5.948 -17.576 1.00 16.66 C +ATOM 299 O GLU A 971 -24.383 -5.777 -18.653 1.00 17.07 O +ATOM 300 CB GLU A 971 -23.568 -5.227 -15.534 1.00 18.43 C +ATOM 301 CG GLU A 971 -22.182 -5.300 -16.214 1.00 22.26 C +ATOM 302 CD GLU A 971 -21.668 -3.988 -16.816 1.00 23.74 C +ATOM 303 OE1 GLU A 971 -22.265 -2.923 -16.550 1.00 22.05 O +ATOM 304 OE2 GLU A 971 -20.634 -4.062 -17.512 1.00 27.17 O1- +ATOM 305 H GLU A 971 -25.908 -5.087 -14.691 1.00 0.00 H +ATOM 306 HA GLU A 971 -24.574 -3.947 -16.951 1.00 0.00 H +ATOM 307 HB3 GLU A 971 -23.756 -6.179 -15.036 1.00 0.00 H +ATOM 308 HB2 GLU A 971 -23.523 -4.491 -14.730 1.00 0.00 H +ATOM 309 HG3 GLU A 971 -22.173 -6.070 -16.984 1.00 0.00 H +ATOM 310 HG2 GLU A 971 -21.450 -5.610 -15.474 1.00 0.00 H +ATOM 311 N MET A 972 -25.762 -6.988 -17.324 1.00 15.24 N +ATOM 312 CA MET A 972 -26.155 -8.002 -18.304 1.00 17.36 C +ATOM 313 C MET A 972 -27.007 -7.400 -19.440 1.00 16.41 C +ATOM 314 O MET A 972 -26.658 -7.579 -20.602 1.00 15.10 O +ATOM 315 CB MET A 972 -26.830 -9.172 -17.549 1.00 19.97 C +ATOM 316 CG MET A 972 -27.409 -10.330 -18.374 1.00 22.77 C +ATOM 317 SD MET A 972 -26.198 -11.446 -19.124 1.00 23.65 S +ATOM 318 CE MET A 972 -27.313 -12.771 -19.659 1.00 22.68 C +ATOM 319 H MET A 972 -26.182 -7.072 -16.408 1.00 0.00 H +ATOM 320 HA MET A 972 -25.247 -8.393 -18.766 1.00 0.00 H +ATOM 321 HB3 MET A 972 -27.640 -8.783 -16.941 1.00 0.00 H +ATOM 322 HB2 MET A 972 -26.111 -9.588 -16.842 1.00 0.00 H +ATOM 323 HG3 MET A 972 -28.089 -9.966 -19.141 1.00 0.00 H +ATOM 324 HG2 MET A 972 -28.011 -10.939 -17.700 1.00 0.00 H +ATOM 325 HE1 MET A 972 -26.747 -13.584 -20.110 1.00 0.00 H +ATOM 326 HE2 MET A 972 -27.867 -13.174 -18.812 1.00 0.00 H +ATOM 327 HE3 MET A 972 -28.029 -12.405 -20.392 1.00 0.00 H +ATOM 328 N GLN A 973 -28.070 -6.658 -19.091 1.00 15.15 N +ATOM 329 CA GLN A 973 -28.996 -6.028 -20.036 1.00 15.42 C +ATOM 330 C GLN A 973 -28.368 -4.868 -20.836 1.00 15.31 C +ATOM 331 O GLN A 973 -28.534 -4.833 -22.055 1.00 17.60 O +ATOM 332 CB GLN A 973 -30.261 -5.548 -19.285 1.00 15.87 C +ATOM 333 CG GLN A 973 -31.082 -6.654 -18.583 1.00 16.12 C +ATOM 334 CD GLN A 973 -31.968 -7.515 -19.485 1.00 17.82 C +ATOM 335 NE2 GLN A 973 -32.860 -8.281 -18.856 1.00 18.69 N +ATOM 336 OE1 GLN A 973 -31.850 -7.514 -20.708 1.00 17.16 O +ATOM 337 H GLN A 973 -28.289 -6.539 -18.109 1.00 0.00 H +ATOM 338 HA GLN A 973 -29.294 -6.790 -20.758 1.00 0.00 H +ATOM 339 HB3 GLN A 973 -30.912 -4.990 -19.960 1.00 0.00 H +ATOM 340 HB2 GLN A 973 -29.954 -4.831 -18.521 1.00 0.00 H +ATOM 341 HG3 GLN A 973 -31.726 -6.182 -17.840 1.00 0.00 H +ATOM 342 HG2 GLN A 973 -30.434 -7.333 -18.034 1.00 0.00 H +ATOM 343 HE22 GLN A 973 -33.475 -8.889 -19.381 1.00 0.00 H +ATOM 344 HE21 GLN A 973 -32.938 -8.257 -17.846 1.00 0.00 H +ATOM 345 N SER A 974 -27.668 -3.944 -20.153 1.00 15.69 N +ATOM 346 CA SER A 974 -27.125 -2.710 -20.741 1.00 16.13 C +ATOM 347 C SER A 974 -25.921 -2.895 -21.688 1.00 16.82 C +ATOM 348 O SER A 974 -25.601 -1.952 -22.413 1.00 18.19 O +ATOM 349 CB SER A 974 -26.827 -1.685 -19.626 1.00 17.83 C +ATOM 350 OG SER A 974 -25.673 -2.018 -18.878 1.00 18.57 O +ATOM 351 H SER A 974 -27.566 -4.035 -19.150 1.00 0.00 H +ATOM 352 HA SER A 974 -27.925 -2.282 -21.350 1.00 0.00 H +ATOM 353 HB3 SER A 974 -27.679 -1.589 -18.951 1.00 0.00 H +ATOM 354 HB2 SER A 974 -26.668 -0.697 -20.060 1.00 0.00 H +ATOM 355 HG SER A 974 -25.942 -2.626 -18.180 1.00 0.00 H +ATOM 356 N THR A 975 -25.284 -4.077 -21.678 1.00 15.47 N +ATOM 357 CA THR A 975 -24.147 -4.410 -22.542 1.00 15.68 C +ATOM 358 C THR A 975 -24.553 -5.344 -23.711 1.00 15.38 C +ATOM 359 O THR A 975 -23.678 -5.953 -24.330 1.00 16.36 O +ATOM 360 CB THR A 975 -22.978 -5.029 -21.729 1.00 15.48 C +ATOM 361 CG2 THR A 975 -22.483 -4.138 -20.580 1.00 15.50 C +ATOM 362 OG1 THR A 975 -23.273 -6.327 -21.246 1.00 14.37 O +ATOM 363 H THR A 975 -25.595 -4.805 -21.050 1.00 0.00 H +ATOM 364 HA THR A 975 -23.757 -3.505 -23.011 1.00 0.00 H +ATOM 365 HB THR A 975 -22.124 -5.125 -22.395 1.00 0.00 H +ATOM 366 HG21 THR A 975 -21.706 -4.640 -20.003 1.00 0.00 H +ATOM 367 HG22 THR A 975 -22.050 -3.218 -20.969 1.00 0.00 H +ATOM 368 HG23 THR A 975 -23.278 -3.855 -19.892 1.00 0.00 H +ATOM 369 HG1 THR A 975 -23.726 -6.236 -20.401 1.00 0.00 H +ATOM 370 N VAL A 976 -25.854 -5.389 -24.055 1.00 15.21 N +ATOM 371 CA VAL A 976 -26.332 -6.000 -25.298 1.00 16.34 C +ATOM 372 C VAL A 976 -26.097 -5.047 -26.488 1.00 16.69 C +ATOM 373 O VAL A 976 -26.357 -3.849 -26.370 1.00 17.66 O +ATOM 374 CB VAL A 976 -27.842 -6.379 -25.234 1.00 17.26 C +ATOM 375 CG1 VAL A 976 -28.427 -6.882 -26.575 1.00 16.99 C +ATOM 376 CG2 VAL A 976 -28.087 -7.447 -24.158 1.00 16.74 C +ATOM 377 H VAL A 976 -26.536 -4.874 -23.516 1.00 0.00 H +ATOM 378 HA VAL A 976 -25.770 -6.917 -25.459 1.00 0.00 H +ATOM 379 HB VAL A 976 -28.410 -5.495 -24.941 1.00 0.00 H +ATOM 380 HG11 VAL A 976 -29.417 -7.314 -26.438 1.00 0.00 H +ATOM 381 HG12 VAL A 976 -28.531 -6.080 -27.306 1.00 0.00 H +ATOM 382 HG13 VAL A 976 -27.799 -7.657 -27.015 1.00 0.00 H +ATOM 383 HG21 VAL A 976 -29.145 -7.699 -24.077 1.00 0.00 H +ATOM 384 HG22 VAL A 976 -27.542 -8.361 -24.393 1.00 0.00 H +ATOM 385 HG23 VAL A 976 -27.759 -7.116 -23.174 1.00 0.00 H +ATOM 386 N ARG A 977 -25.631 -5.612 -27.612 1.00 15.59 N +ATOM 387 CA ARG A 977 -25.455 -4.918 -28.886 1.00 15.12 C +ATOM 388 C ARG A 977 -25.816 -5.852 -30.048 1.00 15.86 C +ATOM 389 O ARG A 977 -25.781 -7.076 -29.896 1.00 15.88 O +ATOM 390 CB ARG A 977 -24.010 -4.382 -29.018 1.00 14.98 C +ATOM 391 CG ARG A 977 -22.892 -5.442 -29.107 1.00 14.49 C +ATOM 392 CD ARG A 977 -21.544 -4.799 -29.455 1.00 13.87 C +ATOM 393 NE ARG A 977 -20.467 -5.785 -29.621 1.00 13.65 N +ATOM 394 CZ ARG A 977 -20.187 -6.495 -30.725 1.00 14.61 C +ATOM 395 NH1 ARG A 977 -20.939 -6.400 -31.830 1.00 14.86 N +ATOM 396 NH2 ARG A 977 -19.124 -7.307 -30.722 1.00 15.07 N1+ +ATOM 397 H ARG A 977 -25.432 -6.603 -27.630 1.00 0.00 H +ATOM 398 HA ARG A 977 -26.139 -4.069 -28.931 1.00 0.00 H +ATOM 399 HB3 ARG A 977 -23.796 -3.696 -28.197 1.00 0.00 H +ATOM 400 HB2 ARG A 977 -23.966 -3.772 -29.920 1.00 0.00 H +ATOM 401 HG3 ARG A 977 -23.104 -6.236 -29.821 1.00 0.00 H +ATOM 402 HG2 ARG A 977 -22.823 -5.919 -28.130 1.00 0.00 H +ATOM 403 HD3 ARG A 977 -21.243 -4.214 -28.586 1.00 0.00 H +ATOM 404 HD2 ARG A 977 -21.600 -4.089 -30.280 1.00 0.00 H +ATOM 405 HE ARG A 977 -19.898 -5.940 -28.797 1.00 0.00 H +ATOM 406 HH12 ARG A 977 -20.714 -6.943 -32.649 1.00 0.00 H +ATOM 407 HH11 ARG A 977 -21.771 -5.823 -31.830 1.00 0.00 H +ATOM 408 HH22 ARG A 977 -18.910 -7.881 -31.524 1.00 0.00 H +ATOM 409 HH21 ARG A 977 -18.520 -7.347 -29.907 1.00 0.00 H +ATOM 410 N GLU A 978 -26.087 -5.243 -31.214 1.00 16.98 N +ATOM 411 CA GLU A 978 -26.176 -5.933 -32.501 1.00 19.75 C +ATOM 412 C GLU A 978 -24.793 -6.437 -32.944 1.00 16.88 C +ATOM 413 O GLU A 978 -23.789 -5.775 -32.675 1.00 16.96 O +ATOM 414 CB GLU A 978 -26.756 -4.981 -33.564 1.00 23.40 C +ATOM 415 CG GLU A 978 -28.215 -4.571 -33.290 1.00 26.93 C +ATOM 416 CD GLU A 978 -28.814 -3.715 -34.408 1.00 34.85 C +ATOM 417 OE1 GLU A 978 -28.084 -2.841 -34.926 1.00 35.87 O +ATOM 418 OE2 GLU A 978 -30.001 -3.947 -34.722 1.00 42.99 O1- +ATOM 419 H GLU A 978 -26.096 -4.233 -31.256 1.00 0.00 H +ATOM 420 HA GLU A 978 -26.843 -6.792 -32.393 1.00 0.00 H +ATOM 421 HB3 GLU A 978 -26.701 -5.455 -34.546 1.00 0.00 H +ATOM 422 HB2 GLU A 978 -26.131 -4.088 -33.629 1.00 0.00 H +ATOM 423 HG3 GLU A 978 -28.286 -4.010 -32.359 1.00 0.00 H +ATOM 424 HG2 GLU A 978 -28.829 -5.464 -33.170 1.00 0.00 H +ATOM 425 N HIS A 979 -24.774 -7.592 -33.623 1.00 17.65 N +ATOM 426 CA HIS A 979 -23.553 -8.227 -34.114 1.00 16.72 C +ATOM 427 C HIS A 979 -23.511 -8.258 -35.643 1.00 18.77 C +ATOM 428 O HIS A 979 -24.554 -8.280 -36.299 1.00 18.93 O +ATOM 429 CB HIS A 979 -23.409 -9.630 -33.493 1.00 18.12 C +ATOM 430 CG HIS A 979 -22.785 -9.580 -32.122 1.00 16.50 C +ATOM 431 CD2 HIS A 979 -21.519 -9.916 -31.696 1.00 17.14 C +ATOM 432 ND1 HIS A 979 -23.438 -9.092 -31.002 1.00 16.34 N +ATOM 433 CE1 HIS A 979 -22.563 -9.135 -29.996 1.00 16.48 C +ATOM 434 NE2 HIS A 979 -21.381 -9.625 -30.341 1.00 15.75 N +ATOM 435 H HIS A 979 -25.639 -8.072 -33.830 1.00 0.00 H +ATOM 436 HA HIS A 979 -22.676 -7.650 -33.814 1.00 0.00 H +ATOM 437 HB3 HIS A 979 -22.770 -10.262 -34.110 1.00 0.00 H +ATOM 438 HB2 HIS A 979 -24.373 -10.139 -33.437 1.00 0.00 H +ATOM 439 HD2 HIS A 979 -20.695 -10.323 -32.262 1.00 0.00 H +ATOM 440 HD1 HIS A 979 -24.383 -8.733 -30.955 1.00 0.00 H +ATOM 441 HE1 HIS A 979 -22.780 -8.784 -29.003 1.00 0.00 H +ATOM 442 N ARG A 980 -22.272 -8.259 -36.163 1.00 18.72 N +ATOM 443 CA ARG A 980 -21.907 -8.227 -37.583 1.00 20.04 C +ATOM 444 C ARG A 980 -22.390 -9.440 -38.400 1.00 18.59 C +ATOM 445 O ARG A 980 -22.459 -9.330 -39.624 1.00 17.36 O +ATOM 446 CB ARG A 980 -20.372 -8.093 -37.675 1.00 22.13 C +ATOM 447 CG ARG A 980 -19.839 -6.725 -37.200 1.00 26.14 C +ATOM 448 CD ARG A 980 -18.323 -6.711 -36.942 1.00 29.62 C +ATOM 449 NE ARG A 980 -17.528 -6.938 -38.159 1.00 36.57 N +ATOM 450 CZ ARG A 980 -17.187 -6.018 -39.076 1.00 37.05 C +ATOM 451 NH1 ARG A 980 -17.573 -4.739 -38.962 1.00 37.58 N +ATOM 452 NH2 ARG A 980 -16.443 -6.389 -40.125 1.00 40.30 N1+ +ATOM 453 H ARG A 980 -21.490 -8.260 -35.526 1.00 0.00 H +ATOM 454 HA ARG A 980 -22.368 -7.337 -38.014 1.00 0.00 H +ATOM 455 HB3 ARG A 980 -20.033 -8.252 -38.700 1.00 0.00 H +ATOM 456 HB2 ARG A 980 -19.921 -8.893 -37.084 1.00 0.00 H +ATOM 457 HG3 ARG A 980 -20.338 -6.380 -36.294 1.00 0.00 H +ATOM 458 HG2 ARG A 980 -20.088 -5.996 -37.971 1.00 0.00 H +ATOM 459 HD3 ARG A 980 -18.093 -7.565 -36.304 1.00 0.00 H +ATOM 460 HD2 ARG A 980 -18.000 -5.833 -36.384 1.00 0.00 H +ATOM 461 HE ARG A 980 -17.253 -7.896 -38.324 1.00 0.00 H +ATOM 462 HH12 ARG A 980 -17.317 -4.058 -39.662 1.00 0.00 H +ATOM 463 HH11 ARG A 980 -18.144 -4.453 -38.180 1.00 0.00 H +ATOM 464 HH22 ARG A 980 -16.176 -5.714 -40.828 1.00 0.00 H +ATOM 465 HH21 ARG A 980 -16.139 -7.347 -40.225 1.00 0.00 H +ATOM 466 N ASP A 981 -22.726 -10.554 -37.728 1.00 17.44 N +ATOM 467 CA ASP A 981 -23.265 -11.770 -38.344 1.00 17.47 C +ATOM 468 C ASP A 981 -24.787 -11.693 -38.609 1.00 18.33 C +ATOM 469 O ASP A 981 -25.327 -12.611 -39.225 1.00 18.13 O +ATOM 470 CB ASP A 981 -22.913 -13.039 -37.530 1.00 17.12 C +ATOM 471 CG ASP A 981 -23.360 -13.082 -36.059 1.00 16.66 C +ATOM 472 OD1 ASP A 981 -24.035 -12.139 -35.589 1.00 16.96 O +ATOM 473 OD2 ASP A 981 -23.037 -14.102 -35.416 1.00 18.38 O1- +ATOM 474 H ASP A 981 -22.673 -10.566 -36.719 1.00 0.00 H +ATOM 475 HA ASP A 981 -22.795 -11.888 -39.322 1.00 0.00 H +ATOM 476 HB3 ASP A 981 -21.828 -13.139 -37.537 1.00 0.00 H +ATOM 477 HB2 ASP A 981 -23.311 -13.906 -38.051 1.00 0.00 H +ATOM 478 N GLY A 982 -25.454 -10.630 -38.122 1.00 18.65 N +ATOM 479 CA GLY A 982 -26.901 -10.445 -38.216 1.00 18.97 C +ATOM 480 C GLY A 982 -27.665 -11.268 -37.163 1.00 18.90 C +ATOM 481 O GLY A 982 -28.882 -11.401 -37.285 1.00 21.53 O +ATOM 482 H GLY A 982 -24.939 -9.919 -37.621 1.00 0.00 H +ATOM 483 HA3 GLY A 982 -27.256 -10.704 -39.215 1.00 0.00 H +ATOM 484 HA2 GLY A 982 -27.125 -9.389 -38.063 1.00 0.00 H +ATOM 485 N GLY A 983 -26.973 -11.823 -36.151 1.00 17.97 N +ATOM 486 CA GLY A 983 -27.569 -12.668 -35.120 1.00 18.69 C +ATOM 487 C GLY A 983 -27.415 -14.162 -35.445 1.00 19.10 C +ATOM 488 O GLY A 983 -28.181 -14.957 -34.909 1.00 19.54 O +ATOM 489 H GLY A 983 -25.971 -11.683 -36.099 1.00 0.00 H +ATOM 490 HA3 GLY A 983 -28.623 -12.432 -34.966 1.00 0.00 H +ATOM 491 HA2 GLY A 983 -27.073 -12.460 -34.175 1.00 0.00 H +ATOM 492 N HIS A 984 -26.470 -14.562 -36.317 1.00 18.84 N +ATOM 493 CA HIS A 984 -26.260 -15.961 -36.710 1.00 20.01 C +ATOM 494 C HIS A 984 -25.793 -16.867 -35.554 1.00 19.41 C +ATOM 495 O HIS A 984 -26.352 -17.952 -35.398 1.00 19.54 O +ATOM 496 CB HIS A 984 -25.286 -16.045 -37.900 1.00 21.21 C +ATOM 497 CG HIS A 984 -25.193 -17.408 -38.544 1.00 23.45 C +ATOM 498 CD2 HIS A 984 -25.994 -18.036 -39.472 1.00 24.95 C +ATOM 499 ND1 HIS A 984 -24.170 -18.301 -38.273 1.00 26.11 N +ATOM 500 CE1 HIS A 984 -24.392 -19.393 -39.008 1.00 26.15 C +ATOM 501 NE2 HIS A 984 -25.485 -19.305 -39.758 1.00 25.73 N +ATOM 502 H HIS A 984 -25.865 -13.876 -36.746 1.00 0.00 H +ATOM 503 HA HIS A 984 -27.227 -16.335 -37.056 1.00 0.00 H +ATOM 504 HB3 HIS A 984 -24.285 -15.770 -37.571 1.00 0.00 H +ATOM 505 HB2 HIS A 984 -25.571 -15.329 -38.670 1.00 0.00 H +ATOM 506 HD2 HIS A 984 -26.896 -17.678 -39.946 1.00 0.00 H +ATOM 507 HD1 HIS A 984 -23.383 -18.156 -37.649 1.00 0.00 H +ATOM 508 HE1 HIS A 984 -23.748 -20.260 -38.993 1.00 0.00 H +ATOM 509 N ALA A 985 -24.785 -16.420 -34.786 1.00 17.36 N +ATOM 510 CA ALA A 985 -24.163 -17.209 -33.723 1.00 18.34 C +ATOM 511 C ALA A 985 -24.971 -17.234 -32.417 1.00 17.59 C +ATOM 512 O ALA A 985 -25.121 -18.308 -31.840 1.00 19.71 O +ATOM 513 CB ALA A 985 -22.739 -16.699 -33.466 1.00 17.93 C +ATOM 514 H ALA A 985 -24.359 -15.521 -34.982 1.00 0.00 H +ATOM 515 HA ALA A 985 -24.074 -18.236 -34.076 1.00 0.00 H +ATOM 516 HB1 ALA A 985 -22.234 -17.304 -32.712 1.00 0.00 H +ATOM 517 HB2 ALA A 985 -22.135 -16.739 -34.372 1.00 0.00 H +ATOM 518 HB3 ALA A 985 -22.742 -15.666 -33.119 1.00 0.00 H +ATOM 519 N GLY A 986 -25.453 -16.066 -31.964 1.00 17.62 N +ATOM 520 CA GLY A 986 -26.097 -15.909 -30.659 1.00 16.98 C +ATOM 521 C GLY A 986 -27.609 -15.657 -30.759 1.00 17.24 C +ATOM 522 O GLY A 986 -28.265 -15.597 -29.721 1.00 17.39 O +ATOM 523 H GLY A 986 -25.286 -15.219 -32.494 1.00 0.00 H +ATOM 524 HA3 GLY A 986 -25.633 -15.063 -30.159 1.00 0.00 H +ATOM 525 HA2 GLY A 986 -25.923 -16.766 -30.007 1.00 0.00 H +ATOM 526 N GLY A 987 -28.177 -15.513 -31.965 1.00 16.71 N +ATOM 527 CA GLY A 987 -29.604 -15.256 -32.163 1.00 17.06 C +ATOM 528 C GLY A 987 -29.897 -13.755 -32.273 1.00 16.95 C +ATOM 529 O GLY A 987 -29.033 -12.909 -32.038 1.00 17.32 O +ATOM 530 H GLY A 987 -27.605 -15.568 -32.796 1.00 0.00 H +ATOM 531 HA3 GLY A 987 -30.197 -15.662 -31.346 1.00 0.00 H +ATOM 532 HA2 GLY A 987 -29.926 -15.757 -33.074 1.00 0.00 H +ATOM 533 N ILE A 988 -31.152 -13.447 -32.632 1.00 18.28 N +ATOM 534 CA ILE A 988 -31.679 -12.092 -32.805 1.00 18.86 C +ATOM 535 C ILE A 988 -32.469 -11.693 -31.543 1.00 19.46 C +ATOM 536 O ILE A 988 -33.474 -12.333 -31.234 1.00 20.42 O +ATOM 537 CB ILE A 988 -32.601 -12.030 -34.064 1.00 20.57 C +ATOM 538 CG1 ILE A 988 -31.765 -12.215 -35.354 1.00 21.63 C +ATOM 539 CG2 ILE A 988 -33.464 -10.753 -34.174 1.00 22.03 C +ATOM 540 CD1 ILE A 988 -32.602 -12.496 -36.611 1.00 23.38 C +ATOM 541 H ILE A 988 -31.809 -14.196 -32.807 1.00 0.00 H +ATOM 542 HA ILE A 988 -30.860 -11.384 -32.947 1.00 0.00 H +ATOM 543 HB ILE A 988 -33.291 -12.874 -34.006 1.00 0.00 H +ATOM 544 HG13 ILE A 988 -31.057 -13.035 -35.233 1.00 0.00 H +ATOM 545 HG12 ILE A 988 -31.154 -11.327 -35.519 1.00 0.00 H +ATOM 546 HG21 ILE A 988 -34.042 -10.737 -35.097 1.00 0.00 H +ATOM 547 HG22 ILE A 988 -34.190 -10.683 -33.367 1.00 0.00 H +ATOM 548 HG23 ILE A 988 -32.847 -9.854 -34.157 1.00 0.00 H +ATOM 549 HD11 ILE A 988 -32.008 -13.014 -37.363 1.00 0.00 H +ATOM 550 HD12 ILE A 988 -33.467 -13.121 -36.388 1.00 0.00 H +ATOM 551 HD13 ILE A 988 -32.960 -11.570 -37.061 1.00 0.00 H +ATOM 552 N PHE A 989 -31.992 -10.653 -30.840 1.00 17.83 N +ATOM 553 CA PHE A 989 -32.559 -10.152 -29.583 1.00 18.40 C +ATOM 554 C PHE A 989 -31.963 -8.776 -29.252 1.00 18.34 C +ATOM 555 O PHE A 989 -30.816 -8.499 -29.608 1.00 19.79 O +ATOM 556 CB PHE A 989 -32.323 -11.159 -28.425 1.00 17.94 C +ATOM 557 CG PHE A 989 -30.876 -11.350 -28.004 1.00 16.96 C +ATOM 558 CD1 PHE A 989 -30.036 -12.180 -28.771 1.00 16.67 C +ATOM 559 CD2 PHE A 989 -30.311 -10.561 -26.978 1.00 16.28 C +ATOM 560 CE1 PHE A 989 -28.679 -12.227 -28.504 1.00 15.70 C +ATOM 561 CE2 PHE A 989 -28.949 -10.632 -26.719 1.00 15.73 C +ATOM 562 CZ PHE A 989 -28.136 -11.465 -27.477 1.00 14.59 C +ATOM 563 H PHE A 989 -31.171 -10.163 -31.166 1.00 0.00 H +ATOM 564 HA PHE A 989 -33.632 -10.026 -29.726 1.00 0.00 H +ATOM 565 HB3 PHE A 989 -32.740 -12.130 -28.690 1.00 0.00 H +ATOM 566 HB2 PHE A 989 -32.882 -10.835 -27.547 1.00 0.00 H +ATOM 567 HD1 PHE A 989 -30.442 -12.765 -29.581 1.00 0.00 H +ATOM 568 HD2 PHE A 989 -30.928 -9.886 -26.405 1.00 0.00 H +ATOM 569 HE1 PHE A 989 -28.048 -12.856 -29.112 1.00 0.00 H +ATOM 570 HE2 PHE A 989 -28.519 -10.028 -25.936 1.00 0.00 H +ATOM 571 HZ PHE A 989 -27.077 -11.512 -27.274 1.00 0.00 H +ATOM 572 N ASN A 990 -32.746 -7.970 -28.519 1.00 18.64 N +ATOM 573 CA ASN A 990 -32.337 -6.670 -27.975 1.00 19.42 C +ATOM 574 C ASN A 990 -32.222 -6.705 -26.440 1.00 19.40 C +ATOM 575 O ASN A 990 -31.654 -5.771 -25.875 1.00 19.45 O +ATOM 576 CB ASN A 990 -33.360 -5.587 -28.395 1.00 22.68 C +ATOM 577 CG ASN A 990 -33.482 -5.399 -29.911 1.00 24.41 C +ATOM 578 ND2 ASN A 990 -34.701 -5.170 -30.400 1.00 26.59 N +ATOM 579 OD1 ASN A 990 -32.489 -5.446 -30.635 1.00 27.18 O +ATOM 580 H ASN A 990 -33.686 -8.265 -28.287 1.00 0.00 H +ATOM 581 HA ASN A 990 -31.352 -6.384 -28.349 1.00 0.00 H +ATOM 582 HB3 ASN A 990 -33.067 -4.621 -27.980 1.00 0.00 H +ATOM 583 HB2 ASN A 990 -34.340 -5.817 -27.973 1.00 0.00 H +ATOM 584 HD22 ASN A 990 -34.828 -5.029 -31.392 1.00 0.00 H +ATOM 585 HD21 ASN A 990 -35.502 -5.127 -29.787 1.00 0.00 H +ATOM 586 N ARG A 991 -32.750 -7.757 -25.790 1.00 18.62 N +ATOM 587 CA ARG A 991 -32.814 -7.898 -24.335 1.00 18.88 C +ATOM 588 C ARG A 991 -33.034 -9.368 -23.944 1.00 18.01 C +ATOM 589 O ARG A 991 -33.373 -10.196 -24.794 1.00 17.63 O +ATOM 590 CB ARG A 991 -33.905 -6.959 -23.757 1.00 20.61 C +ATOM 591 CG ARG A 991 -35.344 -7.215 -24.250 1.00 22.98 C +ATOM 592 CD ARG A 991 -36.296 -6.059 -23.904 1.00 27.07 C +ATOM 593 NE ARG A 991 -37.698 -6.351 -24.240 1.00 33.46 N +ATOM 594 CZ ARG A 991 -38.664 -6.729 -23.384 1.00 37.10 C +ATOM 595 NH1 ARG A 991 -38.411 -6.917 -22.081 1.00 37.79 N +ATOM 596 NH2 ARG A 991 -39.910 -6.913 -23.839 1.00 39.90 N1+ +ATOM 597 H ARG A 991 -33.183 -8.503 -26.316 1.00 0.00 H +ATOM 598 HA ARG A 991 -31.845 -7.606 -23.922 1.00 0.00 H +ATOM 599 HB3 ARG A 991 -33.637 -5.931 -24.001 1.00 0.00 H +ATOM 600 HB2 ARG A 991 -33.886 -7.006 -22.668 1.00 0.00 H +ATOM 601 HG3 ARG A 991 -35.742 -8.184 -23.953 1.00 0.00 H +ATOM 602 HG2 ARG A 991 -35.288 -7.236 -25.338 1.00 0.00 H +ATOM 603 HD3 ARG A 991 -36.059 -5.264 -24.611 1.00 0.00 H +ATOM 604 HD2 ARG A 991 -36.137 -5.616 -22.920 1.00 0.00 H +ATOM 605 HE ARG A 991 -37.938 -6.283 -25.219 1.00 0.00 H +ATOM 606 HH12 ARG A 991 -39.148 -7.184 -21.447 1.00 0.00 H +ATOM 607 HH11 ARG A 991 -37.464 -6.831 -21.727 1.00 0.00 H +ATOM 608 HH22 ARG A 991 -40.651 -7.183 -23.210 1.00 0.00 H +ATOM 609 HH21 ARG A 991 -40.140 -6.766 -24.815 1.00 0.00 H +ATOM 610 N TYR A 992 -32.828 -9.648 -22.649 1.00 16.40 N +ATOM 611 CA TYR A 992 -32.983 -10.968 -22.038 1.00 15.91 C +ATOM 612 C TYR A 992 -34.169 -10.986 -21.066 1.00 16.45 C +ATOM 613 O TYR A 992 -34.565 -9.942 -20.548 1.00 17.41 O +ATOM 614 CB TYR A 992 -31.713 -11.315 -21.237 1.00 15.77 C +ATOM 615 CG TYR A 992 -30.400 -11.216 -21.986 1.00 14.69 C +ATOM 616 CD1 TYR A 992 -30.088 -12.134 -23.009 1.00 14.61 C +ATOM 617 CD2 TYR A 992 -29.469 -10.220 -21.632 1.00 14.29 C +ATOM 618 CE1 TYR A 992 -28.833 -12.084 -23.646 1.00 14.76 C +ATOM 619 CE2 TYR A 992 -28.219 -10.174 -22.270 1.00 14.23 C +ATOM 620 CZ TYR A 992 -27.895 -11.107 -23.271 1.00 15.14 C +ATOM 621 OH TYR A 992 -26.676 -11.058 -23.878 1.00 15.25 O +ATOM 622 H TYR A 992 -32.545 -8.906 -22.021 1.00 0.00 H +ATOM 623 HA TYR A 992 -33.143 -11.728 -22.804 1.00 0.00 H +ATOM 624 HB3 TYR A 992 -31.791 -12.330 -20.846 1.00 0.00 H +ATOM 625 HB2 TYR A 992 -31.647 -10.668 -20.359 1.00 0.00 H +ATOM 626 HD1 TYR A 992 -30.802 -12.893 -23.291 1.00 0.00 H +ATOM 627 HD2 TYR A 992 -29.700 -9.501 -20.859 1.00 0.00 H +ATOM 628 HE1 TYR A 992 -28.584 -12.799 -24.417 1.00 0.00 H +ATOM 629 HE2 TYR A 992 -27.510 -9.418 -21.984 1.00 0.00 H +ATOM 630 HH TYR A 992 -26.104 -10.378 -23.507 1.00 0.00 H +ATOM 631 N ASN A 993 -34.658 -12.203 -20.790 1.00 17.53 N +ATOM 632 CA ASN A 993 -35.530 -12.530 -19.670 1.00 17.69 C +ATOM 633 C ASN A 993 -34.673 -13.349 -18.694 1.00 16.75 C +ATOM 634 O ASN A 993 -34.456 -14.536 -18.933 1.00 16.59 O +ATOM 635 CB ASN A 993 -36.767 -13.292 -20.206 1.00 18.51 C +ATOM 636 CG ASN A 993 -37.722 -13.809 -19.122 1.00 21.58 C +ATOM 637 ND2 ASN A 993 -38.125 -12.949 -18.183 1.00 24.03 N +ATOM 638 OD1 ASN A 993 -38.102 -14.976 -19.140 1.00 23.25 O +ATOM 639 H ASN A 993 -34.275 -13.001 -21.282 1.00 0.00 H +ATOM 640 HA ASN A 993 -35.869 -11.616 -19.183 1.00 0.00 H +ATOM 641 HB3 ASN A 993 -36.448 -14.141 -20.813 1.00 0.00 H +ATOM 642 HB2 ASN A 993 -37.339 -12.647 -20.872 1.00 0.00 H +ATOM 643 HD22 ASN A 993 -38.741 -13.264 -17.447 1.00 0.00 H +ATOM 644 HD21 ASN A 993 -37.815 -11.988 -18.186 1.00 0.00 H +ATOM 645 N ILE A 994 -34.176 -12.685 -17.638 1.00 18.56 N +ATOM 646 CA ILE A 994 -33.338 -13.297 -16.607 1.00 18.35 C +ATOM 647 C ILE A 994 -34.214 -14.147 -15.673 1.00 19.09 C +ATOM 648 O ILE A 994 -35.131 -13.619 -15.044 1.00 20.47 O +ATOM 649 CB ILE A 994 -32.573 -12.235 -15.761 1.00 19.57 C +ATOM 650 CG1 ILE A 994 -31.765 -11.248 -16.636 1.00 21.18 C +ATOM 651 CG2 ILE A 994 -31.664 -12.864 -14.681 1.00 19.74 C +ATOM 652 CD1 ILE A 994 -30.817 -11.882 -17.663 1.00 21.74 C +ATOM 653 H ILE A 994 -34.412 -11.709 -17.500 1.00 0.00 H +ATOM 654 HA ILE A 994 -32.607 -13.948 -17.089 1.00 0.00 H +ATOM 655 HB ILE A 994 -33.309 -11.628 -15.231 1.00 0.00 H +ATOM 656 HG13 ILE A 994 -31.186 -10.589 -15.991 1.00 0.00 H +ATOM 657 HG12 ILE A 994 -32.456 -10.596 -17.170 1.00 0.00 H +ATOM 658 HG21 ILE A 994 -31.102 -12.095 -14.149 1.00 0.00 H +ATOM 659 HG22 ILE A 994 -32.231 -13.410 -13.927 1.00 0.00 H +ATOM 660 HG23 ILE A 994 -30.945 -13.556 -15.118 1.00 0.00 H +ATOM 661 HD11 ILE A 994 -30.263 -11.108 -18.192 1.00 0.00 H +ATOM 662 HD12 ILE A 994 -30.097 -12.550 -17.191 1.00 0.00 H +ATOM 663 HD13 ILE A 994 -31.366 -12.445 -18.415 1.00 0.00 H +ATOM 664 N LEU A 995 -33.919 -15.452 -15.632 1.00 19.08 N +ATOM 665 CA LEU A 995 -34.686 -16.452 -14.895 1.00 18.48 C +ATOM 666 C LEU A 995 -34.167 -16.635 -13.462 1.00 19.08 C +ATOM 667 O LEU A 995 -34.975 -16.898 -12.573 1.00 19.62 O +ATOM 668 CB LEU A 995 -34.625 -17.794 -15.655 1.00 19.84 C +ATOM 669 CG LEU A 995 -35.224 -17.752 -17.079 1.00 20.86 C +ATOM 670 CD1 LEU A 995 -34.932 -19.066 -17.827 1.00 22.17 C +ATOM 671 CD2 LEU A 995 -36.726 -17.404 -17.064 1.00 23.03 C +ATOM 672 H LEU A 995 -33.128 -15.800 -16.157 1.00 0.00 H +ATOM 673 HA LEU A 995 -35.727 -16.133 -14.827 1.00 0.00 H +ATOM 674 HB3 LEU A 995 -35.137 -18.566 -15.079 1.00 0.00 H +ATOM 675 HB2 LEU A 995 -33.583 -18.112 -15.720 1.00 0.00 H +ATOM 676 HG LEU A 995 -34.729 -16.966 -17.648 1.00 0.00 H +ATOM 677 HD11 LEU A 995 -35.798 -19.436 -18.372 1.00 0.00 H +ATOM 678 HD12 LEU A 995 -34.130 -18.931 -18.552 1.00 0.00 H +ATOM 679 HD13 LEU A 995 -34.616 -19.859 -17.149 1.00 0.00 H +ATOM 680 HD21 LEU A 995 -37.297 -17.944 -17.819 1.00 0.00 H +ATOM 681 HD22 LEU A 995 -37.185 -17.617 -16.098 1.00 0.00 H +ATOM 682 HD23 LEU A 995 -36.866 -16.341 -17.258 1.00 0.00 H +ATOM 683 N LYS A 996 -32.844 -16.506 -13.266 1.00 17.88 N +ATOM 684 CA LYS A 996 -32.166 -16.741 -11.993 1.00 18.58 C +ATOM 685 C LYS A 996 -30.749 -16.148 -12.055 1.00 17.86 C +ATOM 686 O LYS A 996 -30.136 -16.157 -13.122 1.00 16.90 O +ATOM 687 CB LYS A 996 -32.156 -18.264 -11.694 1.00 20.60 C +ATOM 688 CG LYS A 996 -31.585 -18.674 -10.325 1.00 23.25 C +ATOM 689 CD LYS A 996 -31.575 -20.193 -10.085 1.00 25.81 C +ATOM 690 CE LYS A 996 -32.976 -20.816 -9.988 1.00 29.29 C +ATOM 691 NZ LYS A 996 -32.910 -22.253 -9.683 1.00 31.93 N1+ +ATOM 692 H LYS A 996 -32.241 -16.278 -14.045 1.00 0.00 H +ATOM 693 HA LYS A 996 -32.721 -16.220 -11.213 1.00 0.00 H +ATOM 694 HB3 LYS A 996 -31.599 -18.784 -12.472 1.00 0.00 H +ATOM 695 HB2 LYS A 996 -33.174 -18.643 -11.758 1.00 0.00 H +ATOM 696 HG3 LYS A 996 -32.156 -18.195 -9.534 1.00 0.00 H +ATOM 697 HG2 LYS A 996 -30.568 -18.302 -10.226 1.00 0.00 H +ATOM 698 HD3 LYS A 996 -31.034 -20.392 -9.161 1.00 0.00 H +ATOM 699 HD2 LYS A 996 -31.007 -20.682 -10.878 1.00 0.00 H +ATOM 700 HE3 LYS A 996 -33.527 -20.694 -10.919 1.00 0.00 H +ATOM 701 HE2 LYS A 996 -33.552 -20.326 -9.203 1.00 0.00 H +ATOM 702 HZ1 LYS A 996 -32.432 -22.398 -8.801 1.00 0.00 H +ATOM 703 HZ2 LYS A 996 -33.852 -22.612 -9.602 1.00 0.00 H +ATOM 704 HZ3 LYS A 996 -32.418 -22.741 -10.418 1.00 0.00 H +ATOM 705 N ILE A 997 -30.242 -15.680 -10.904 1.00 16.07 N +ATOM 706 CA ILE A 997 -28.833 -15.330 -10.715 1.00 16.54 C +ATOM 707 C ILE A 997 -28.382 -15.975 -9.395 1.00 16.12 C +ATOM 708 O ILE A 997 -28.978 -15.712 -8.350 1.00 17.02 O +ATOM 709 CB ILE A 997 -28.560 -13.794 -10.651 1.00 17.18 C +ATOM 710 CG1 ILE A 997 -29.075 -13.066 -11.918 1.00 17.22 C +ATOM 711 CG2 ILE A 997 -27.063 -13.468 -10.419 1.00 17.21 C +ATOM 712 CD1 ILE A 997 -29.065 -11.530 -11.831 1.00 17.96 C +ATOM 713 H ILE A 997 -30.808 -15.692 -10.064 1.00 0.00 H +ATOM 714 HA ILE A 997 -28.233 -15.752 -11.523 1.00 0.00 H +ATOM 715 HB ILE A 997 -29.106 -13.393 -9.800 1.00 0.00 H +ATOM 716 HG13 ILE A 997 -30.100 -13.364 -12.128 1.00 0.00 H +ATOM 717 HG12 ILE A 997 -28.497 -13.388 -12.782 1.00 0.00 H +ATOM 718 HG21 ILE A 997 -26.883 -12.395 -10.379 1.00 0.00 H +ATOM 719 HG22 ILE A 997 -26.690 -13.870 -9.477 1.00 0.00 H +ATOM 720 HG23 ILE A 997 -26.443 -13.876 -11.217 1.00 0.00 H +ATOM 721 HD11 ILE A 997 -30.057 -11.124 -12.025 1.00 0.00 H +ATOM 722 HD12 ILE A 997 -28.763 -11.173 -10.848 1.00 0.00 H +ATOM 723 HD13 ILE A 997 -28.389 -11.098 -12.568 1.00 0.00 H +ATOM 724 N GLN A 998 -27.336 -16.807 -9.487 1.00 15.77 N +ATOM 725 CA GLN A 998 -26.716 -17.523 -8.376 1.00 15.91 C +ATOM 726 C GLN A 998 -25.293 -17.015 -8.151 1.00 16.82 C +ATOM 727 O GLN A 998 -24.590 -16.757 -9.125 1.00 16.70 O +ATOM 728 CB GLN A 998 -26.669 -19.025 -8.719 1.00 16.44 C +ATOM 729 CG GLN A 998 -28.046 -19.696 -8.621 1.00 17.80 C +ATOM 730 CD GLN A 998 -28.076 -21.111 -9.201 1.00 18.04 C +ATOM 731 NE2 GLN A 998 -28.800 -22.015 -8.539 1.00 19.77 N +ATOM 732 OE1 GLN A 998 -27.489 -21.380 -10.248 1.00 17.62 O +ATOM 733 H GLN A 998 -26.913 -16.965 -10.393 1.00 0.00 H +ATOM 734 HA GLN A 998 -27.289 -17.376 -7.461 1.00 0.00 H +ATOM 735 HB3 GLN A 998 -25.987 -19.546 -8.043 1.00 0.00 H +ATOM 736 HB2 GLN A 998 -26.253 -19.149 -9.720 1.00 0.00 H +ATOM 737 HG3 GLN A 998 -28.790 -19.107 -9.152 1.00 0.00 H +ATOM 738 HG2 GLN A 998 -28.349 -19.712 -7.576 1.00 0.00 H +ATOM 739 HE22 GLN A 998 -28.862 -22.966 -8.872 1.00 0.00 H +ATOM 740 HE21 GLN A 998 -29.296 -21.745 -7.698 1.00 0.00 H +ATOM 741 N LYS A 999 -24.876 -16.962 -6.877 1.00 16.64 N +ATOM 742 CA ALYS A 999 -23.479 -16.802 -6.489 0.50 17.84 C +ATOM 743 CA BLYS A 999 -23.548 -16.714 -6.504 0.50 17.89 C +ATOM 744 C LYS A 999 -22.811 -18.176 -6.411 1.00 18.06 C +ATOM 745 O LYS A 999 -23.284 -19.043 -5.676 1.00 17.52 O +ATOM 746 CB ALYS A 999 -23.365 -16.089 -5.131 0.50 18.94 C +ATOM 747 CB BLYS A 999 -23.544 -16.079 -5.105 0.50 18.93 C +ATOM 748 CG ALYS A 999 -23.849 -14.634 -5.182 0.50 21.02 C +ATOM 749 CG BLYS A 999 -22.172 -15.763 -4.560 0.50 20.72 C +ATOM 750 CD ALYS A 999 -23.329 -13.758 -4.034 0.50 22.47 C +ATOM 751 CD BLYS A 999 -21.761 -14.394 -5.042 0.50 22.15 C +ATOM 752 CE ALYS A 999 -21.821 -13.461 -4.133 0.50 23.66 C +ATOM 753 CE BLYS A 999 -20.406 -14.443 -5.685 0.50 22.53 C +ATOM 754 NZ ALYS A 999 -21.419 -12.420 -3.175 0.50 23.75 N1+ +ATOM 755 NZ BLYS A 999 -19.652 -15.677 -5.316 0.50 23.62 N1+ +ATOM 756 H LYS A 999 -25.525 -17.177 -6.130 1.00 0.00 H +ATOM 757 HA ALYS A 999 -22.960 -16.193 -7.233 0.50 0.00 H +ATOM 758 HA BLYS A 999 -23.052 -16.052 -7.213 0.50 0.00 H +ATOM 759 HB3ALYS A 999 -22.316 -16.106 -4.838 0.50 0.00 H +ATOM 760 HB3BLYS A 999 -24.066 -16.736 -4.409 0.50 0.00 H +ATOM 761 HB2ALYS A 999 -23.902 -16.633 -4.352 0.50 0.00 H +ATOM 762 HB2BLYS A 999 -24.145 -15.170 -5.120 0.50 0.00 H +ATOM 763 HG3ALYS A 999 -24.938 -14.632 -5.168 0.50 0.00 H +ATOM 764 HG3BLYS A 999 -21.459 -16.504 -4.921 0.50 0.00 H +ATOM 765 HG2ALYS A 999 -23.564 -14.185 -6.132 0.50 0.00 H +ATOM 766 HG2BLYS A 999 -22.204 -15.770 -3.470 0.50 0.00 H +ATOM 767 HD3ALYS A 999 -23.546 -14.241 -3.081 0.50 0.00 H +ATOM 768 HD3BLYS A 999 -21.738 -13.704 -4.198 0.50 0.00 H +ATOM 769 HD2ALYS A 999 -23.892 -12.826 -4.030 0.50 0.00 H +ATOM 770 HD2BLYS A 999 -22.492 -14.029 -5.763 0.50 0.00 H +ATOM 771 HE3ALYS A 999 -21.568 -13.110 -5.134 0.50 0.00 H +ATOM 772 HE3BLYS A 999 -19.832 -13.565 -5.388 0.50 0.00 H +ATOM 773 HE2ALYS A 999 -21.229 -14.356 -3.944 0.50 0.00 H +ATOM 774 HE2BLYS A 999 -20.517 -14.396 -6.768 0.50 0.00 H +ATOM 775 HZ1ALYS A 999 -21.650 -12.706 -2.235 0.50 0.00 H +ATOM 776 HZ1BLYS A 999 -18.749 -15.669 -5.769 0.50 0.00 H +ATOM 777 HZ2ALYS A 999 -20.426 -12.253 -3.251 0.50 0.00 H +ATOM 778 HZ2BLYS A 999 -19.525 -15.708 -4.314 0.50 0.00 H +ATOM 779 HZ3ALYS A 999 -21.922 -11.570 -3.409 0.50 0.00 H +ATOM 780 HZ3BLYS A 999 -20.170 -16.491 -5.614 0.50 0.00 H +ATOM 781 N VAL A1000 -21.703 -18.320 -7.147 1.00 16.16 N +ATOM 782 CA VAL A1000 -20.833 -19.491 -7.120 1.00 16.97 C +ATOM 783 C VAL A1000 -19.846 -19.314 -5.951 1.00 17.93 C +ATOM 784 O VAL A1000 -19.128 -18.312 -5.913 1.00 18.28 O +ATOM 785 CB VAL A1000 -20.029 -19.595 -8.442 1.00 17.75 C +ATOM 786 CG1 VAL A1000 -19.035 -20.773 -8.495 1.00 18.52 C +ATOM 787 CG2 VAL A1000 -20.952 -19.646 -9.677 1.00 18.93 C +ATOM 788 H VAL A1000 -21.368 -17.539 -7.696 1.00 0.00 H +ATOM 789 HA VAL A1000 -21.424 -20.399 -6.982 1.00 0.00 H +ATOM 790 HB VAL A1000 -19.445 -18.680 -8.517 1.00 0.00 H +ATOM 791 HG11 VAL A1000 -18.502 -20.792 -9.445 1.00 0.00 H +ATOM 792 HG12 VAL A1000 -18.279 -20.721 -7.711 1.00 0.00 H +ATOM 793 HG13 VAL A1000 -19.558 -21.722 -8.399 1.00 0.00 H +ATOM 794 HG21 VAL A1000 -20.376 -19.704 -10.600 1.00 0.00 H +ATOM 795 HG22 VAL A1000 -21.606 -20.516 -9.648 1.00 0.00 H +ATOM 796 HG23 VAL A1000 -21.580 -18.759 -9.755 1.00 0.00 H +ATOM 797 N CYS A1001 -19.869 -20.264 -5.005 1.00 18.93 N +ATOM 798 CA ACYS A1001 -19.140 -20.181 -3.741 0.50 19.67 C +ATOM 799 CA BCYS A1001 -19.111 -20.179 -3.743 0.50 20.96 C +ATOM 800 C CYS A1001 -18.294 -21.451 -3.574 1.00 19.27 C +ATOM 801 O CYS A1001 -18.838 -22.504 -3.239 1.00 18.81 O +ATOM 802 CB ACYS A1001 -20.105 -20.008 -2.550 0.50 19.73 C +ATOM 803 CB BCYS A1001 -20.058 -20.099 -2.528 0.50 22.40 C +ATOM 804 SG ACYS A1001 -20.944 -18.398 -2.613 0.50 23.11 S +ATOM 805 SG BCYS A1001 -19.276 -19.995 -0.896 0.50 30.93 S +ATOM 806 H CYS A1001 -20.503 -21.048 -5.099 1.00 0.00 H +ATOM 807 HA ACYS A1001 -18.458 -19.329 -3.738 0.50 0.00 H +ATOM 808 HA BCYS A1001 -18.474 -19.295 -3.754 0.50 0.00 H +ATOM 809 HB3ACYS A1001 -19.566 -20.076 -1.604 0.50 0.00 H +ATOM 810 HB3BCYS A1001 -20.738 -20.950 -2.546 0.50 0.00 H +ATOM 811 HB2ACYS A1001 -20.862 -20.789 -2.549 0.50 0.00 H +ATOM 812 HB2BCYS A1001 -20.735 -19.255 -2.656 0.50 0.00 H +ATOM 813 HG ACYS A1001 -21.671 -18.666 -3.702 0.50 0.00 H +ATOM 814 HG BCYS A1001 -20.220 -19.933 0.048 0.50 0.00 H +ATOM 815 N ASN A1002 -16.978 -21.314 -3.797 1.00 18.87 N +ATOM 816 CA ASN A1002 -15.968 -22.351 -3.594 1.00 18.68 C +ATOM 817 C ASN A1002 -14.731 -21.673 -2.983 1.00 21.55 C +ATOM 818 O ASN A1002 -14.161 -20.780 -3.612 1.00 20.94 O +ATOM 819 CB ASN A1002 -15.670 -23.053 -4.942 1.00 19.24 C +ATOM 820 CG ASN A1002 -14.768 -24.295 -4.834 1.00 19.21 C +ATOM 821 ND2 ASN A1002 -15.167 -25.403 -5.457 1.00 20.10 N +ATOM 822 OD1 ASN A1002 -13.699 -24.254 -4.232 1.00 20.72 O +ATOM 823 H ASN A1002 -16.617 -20.412 -4.080 1.00 0.00 H +ATOM 824 HA ASN A1002 -16.325 -23.098 -2.882 1.00 0.00 H +ATOM 825 HB3 ASN A1002 -15.234 -22.351 -5.651 1.00 0.00 H +ATOM 826 HB2 ASN A1002 -16.617 -23.358 -5.384 1.00 0.00 H +ATOM 827 HD22 ASN A1002 -14.607 -26.244 -5.416 1.00 0.00 H +ATOM 828 HD21 ASN A1002 -16.044 -25.413 -5.968 1.00 0.00 H +ATOM 829 N LYS A1003 -14.350 -22.110 -1.771 1.00 22.57 N +ATOM 830 CA LYS A1003 -13.220 -21.587 -0.998 1.00 25.00 C +ATOM 831 C LYS A1003 -11.856 -21.840 -1.666 1.00 24.09 C +ATOM 832 O LYS A1003 -11.056 -20.911 -1.747 1.00 21.54 O +ATOM 833 CB LYS A1003 -13.299 -22.148 0.440 1.00 30.07 C +ATOM 834 CG LYS A1003 -12.141 -21.757 1.382 1.00 34.55 C +ATOM 835 CD LYS A1003 -12.367 -22.284 2.809 1.00 40.40 C +ATOM 836 CE LYS A1003 -11.185 -22.061 3.767 1.00 45.01 C +ATOM 837 NZ LYS A1003 -10.924 -20.634 4.013 1.00 47.47 N1+ +ATOM 838 H LYS A1003 -14.874 -22.855 -1.331 1.00 0.00 H +ATOM 839 HA LYS A1003 -13.353 -20.505 -0.934 1.00 0.00 H +ATOM 840 HB3 LYS A1003 -13.351 -23.237 0.398 1.00 0.00 H +ATOM 841 HB2 LYS A1003 -14.239 -21.822 0.886 1.00 0.00 H +ATOM 842 HG3 LYS A1003 -12.029 -20.673 1.393 1.00 0.00 H +ATOM 843 HG2 LYS A1003 -11.199 -22.160 1.006 1.00 0.00 H +ATOM 844 HD3 LYS A1003 -12.580 -23.353 2.764 1.00 0.00 H +ATOM 845 HD2 LYS A1003 -13.262 -21.822 3.227 1.00 0.00 H +ATOM 846 HE3 LYS A1003 -10.280 -22.529 3.379 1.00 0.00 H +ATOM 847 HE2 LYS A1003 -11.405 -22.534 4.725 1.00 0.00 H +ATOM 848 HZ1 LYS A1003 -10.568 -20.205 3.163 1.00 0.00 H +ATOM 849 HZ2 LYS A1003 -11.769 -20.168 4.307 1.00 0.00 H +ATOM 850 HZ3 LYS A1003 -10.217 -20.541 4.728 1.00 0.00 H +ATOM 851 N LYS A1004 -11.630 -23.074 -2.148 1.00 23.10 N +ATOM 852 CA LYS A1004 -10.416 -23.505 -2.845 1.00 26.28 C +ATOM 853 C LYS A1004 -10.149 -22.739 -4.154 1.00 22.87 C +ATOM 854 O LYS A1004 -9.012 -22.330 -4.381 1.00 20.61 O +ATOM 855 CB LYS A1004 -10.462 -25.042 -3.022 1.00 31.82 C +ATOM 856 CG LYS A1004 -9.438 -25.652 -3.998 1.00 38.13 C +ATOM 857 CD LYS A1004 -9.462 -27.190 -3.974 1.00 45.44 C +ATOM 858 CE LYS A1004 -8.775 -27.834 -5.186 1.00 48.88 C +ATOM 859 NZ LYS A1004 -9.568 -27.642 -6.413 1.00 52.48 N1+ +ATOM 860 H LYS A1004 -12.344 -23.782 -2.033 1.00 0.00 H +ATOM 861 HA LYS A1004 -9.582 -23.282 -2.177 1.00 0.00 H +ATOM 862 HB3 LYS A1004 -11.451 -25.329 -3.378 1.00 0.00 H +ATOM 863 HB2 LYS A1004 -10.354 -25.507 -2.041 1.00 0.00 H +ATOM 864 HG3 LYS A1004 -8.435 -25.298 -3.756 1.00 0.00 H +ATOM 865 HG2 LYS A1004 -9.653 -25.304 -5.008 1.00 0.00 H +ATOM 866 HD3 LYS A1004 -10.490 -27.548 -3.904 1.00 0.00 H +ATOM 867 HD2 LYS A1004 -8.965 -27.534 -3.065 1.00 0.00 H +ATOM 868 HE3 LYS A1004 -8.665 -28.906 -5.020 1.00 0.00 H +ATOM 869 HE2 LYS A1004 -7.774 -27.426 -5.325 1.00 0.00 H +ATOM 870 HZ1 LYS A1004 -9.668 -26.656 -6.607 1.00 0.00 H +ATOM 871 HZ2 LYS A1004 -9.118 -28.090 -7.199 1.00 0.00 H +ATOM 872 HZ3 LYS A1004 -10.488 -28.042 -6.294 1.00 0.00 H +ATOM 873 N LEU A1005 -11.196 -22.540 -4.972 1.00 19.61 N +ATOM 874 CA LEU A1005 -11.115 -21.792 -6.230 1.00 18.64 C +ATOM 875 C LEU A1005 -10.971 -20.277 -6.019 1.00 18.22 C +ATOM 876 O LEU A1005 -10.334 -19.624 -6.847 1.00 17.94 O +ATOM 877 CB LEU A1005 -12.349 -22.098 -7.100 1.00 20.28 C +ATOM 878 CG LEU A1005 -12.443 -23.557 -7.587 1.00 23.00 C +ATOM 879 CD1 LEU A1005 -13.766 -23.793 -8.345 1.00 24.51 C +ATOM 880 CD2 LEU A1005 -11.211 -23.975 -8.411 1.00 25.41 C +ATOM 881 H LEU A1005 -12.104 -22.911 -4.722 1.00 0.00 H +ATOM 882 HA LEU A1005 -10.219 -22.117 -6.760 1.00 0.00 H +ATOM 883 HB3 LEU A1005 -12.358 -21.441 -7.971 1.00 0.00 H +ATOM 884 HB2 LEU A1005 -13.243 -21.853 -6.529 1.00 0.00 H +ATOM 885 HG LEU A1005 -12.470 -24.201 -6.709 1.00 0.00 H +ATOM 886 HD11 LEU A1005 -14.237 -24.723 -8.031 1.00 0.00 H +ATOM 887 HD12 LEU A1005 -14.488 -22.995 -8.170 1.00 0.00 H +ATOM 888 HD13 LEU A1005 -13.620 -23.849 -9.421 1.00 0.00 H +ATOM 889 HD21 LEU A1005 -11.477 -24.666 -9.203 1.00 0.00 H +ATOM 890 HD22 LEU A1005 -10.714 -23.122 -8.874 1.00 0.00 H +ATOM 891 HD23 LEU A1005 -10.479 -24.483 -7.782 1.00 0.00 H +ATOM 892 N TRP A1006 -11.533 -19.750 -4.916 1.00 17.50 N +ATOM 893 CA TRP A1006 -11.372 -18.355 -4.517 1.00 17.16 C +ATOM 894 C TRP A1006 -9.946 -18.051 -4.033 1.00 18.95 C +ATOM 895 O TRP A1006 -9.372 -17.055 -4.462 1.00 18.79 O +ATOM 896 CB TRP A1006 -12.433 -17.960 -3.471 1.00 17.27 C +ATOM 897 CG TRP A1006 -12.338 -16.535 -3.013 1.00 17.70 C +ATOM 898 CD1 TRP A1006 -11.933 -16.107 -1.795 1.00 18.65 C +ATOM 899 CD2 TRP A1006 -12.554 -15.333 -3.809 1.00 18.52 C +ATOM 900 CE2 TRP A1006 -12.266 -14.194 -3.001 1.00 18.65 C +ATOM 901 CE3 TRP A1006 -12.947 -15.094 -5.143 1.00 19.96 C +ATOM 902 NE1 TRP A1006 -11.899 -14.727 -1.783 1.00 20.00 N +ATOM 903 CZ2 TRP A1006 -12.367 -12.882 -3.495 1.00 20.00 C +ATOM 904 CZ3 TRP A1006 -13.057 -13.785 -5.650 1.00 19.85 C +ATOM 905 CH2 TRP A1006 -12.763 -12.679 -4.829 1.00 20.36 C +ATOM 906 H TRP A1006 -12.062 -20.341 -4.289 1.00 0.00 H +ATOM 907 HA TRP A1006 -11.547 -17.740 -5.402 1.00 0.00 H +ATOM 908 HB3 TRP A1006 -12.377 -18.615 -2.601 1.00 0.00 H +ATOM 909 HB2 TRP A1006 -13.428 -18.099 -3.895 1.00 0.00 H +ATOM 910 HD1 TRP A1006 -11.662 -16.757 -0.977 1.00 0.00 H +ATOM 911 HE3 TRP A1006 -13.165 -15.934 -5.783 1.00 0.00 H +ATOM 912 HE1 TRP A1006 -11.605 -14.190 -0.976 1.00 0.00 H +ATOM 913 HZ2 TRP A1006 -12.143 -12.040 -2.858 1.00 0.00 H +ATOM 914 HZ3 TRP A1006 -13.369 -13.643 -6.674 1.00 0.00 H +ATOM 915 HH2 TRP A1006 -12.850 -11.676 -5.217 1.00 0.00 H +ATOM 916 N GLU A1007 -9.394 -18.928 -3.180 1.00 19.92 N +ATOM 917 CA GLU A1007 -8.034 -18.823 -2.653 1.00 21.80 C +ATOM 918 C GLU A1007 -6.943 -19.073 -3.708 1.00 19.42 C +ATOM 919 O GLU A1007 -5.854 -18.522 -3.563 1.00 19.91 O +ATOM 920 CB GLU A1007 -7.890 -19.735 -1.423 1.00 24.27 C +ATOM 921 CG GLU A1007 -8.689 -19.184 -0.223 1.00 28.08 C +ATOM 922 CD GLU A1007 -8.692 -20.079 1.016 1.00 33.62 C +ATOM 923 OE1 GLU A1007 -8.163 -21.210 0.947 1.00 36.18 O +ATOM 924 OE2 GLU A1007 -9.258 -19.610 2.027 1.00 39.56 O1- +ATOM 925 H GLU A1007 -9.939 -19.715 -2.851 1.00 0.00 H +ATOM 926 HA GLU A1007 -7.892 -17.796 -2.313 1.00 0.00 H +ATOM 927 HB3 GLU A1007 -6.839 -19.832 -1.145 1.00 0.00 H +ATOM 928 HB2 GLU A1007 -8.231 -20.741 -1.674 1.00 0.00 H +ATOM 929 HG3 GLU A1007 -9.728 -19.008 -0.501 1.00 0.00 H +ATOM 930 HG2 GLU A1007 -8.284 -18.214 0.065 1.00 0.00 H +ATOM 931 N ARG A1008 -7.264 -19.835 -4.768 1.00 18.94 N +ATOM 932 CA ARG A1008 -6.454 -19.963 -5.981 1.00 19.88 C +ATOM 933 C ARG A1008 -6.427 -18.646 -6.780 1.00 17.66 C +ATOM 934 O ARG A1008 -5.359 -18.253 -7.250 1.00 17.15 O +ATOM 935 CB ARG A1008 -7.001 -21.134 -6.826 1.00 23.04 C +ATOM 936 CG ARG A1008 -6.265 -21.388 -8.158 1.00 29.03 C +ATOM 937 CD ARG A1008 -6.959 -22.438 -9.034 1.00 35.24 C +ATOM 938 NE ARG A1008 -6.849 -23.800 -8.496 1.00 40.10 N +ATOM 939 CZ ARG A1008 -7.474 -24.870 -9.015 1.00 46.42 C +ATOM 940 NH1 ARG A1008 -8.275 -24.757 -10.084 1.00 47.03 N +ATOM 941 NH2 ARG A1008 -7.285 -26.075 -8.466 1.00 46.56 N1+ +ATOM 942 H ARG A1008 -8.173 -20.278 -4.794 1.00 0.00 H +ATOM 943 HA ARG A1008 -5.431 -20.204 -5.685 1.00 0.00 H +ATOM 944 HB3 ARG A1008 -8.049 -20.935 -7.047 1.00 0.00 H +ATOM 945 HB2 ARG A1008 -6.990 -22.048 -6.231 1.00 0.00 H +ATOM 946 HG3 ARG A1008 -5.261 -21.732 -7.909 1.00 0.00 H +ATOM 947 HG2 ARG A1008 -6.132 -20.487 -8.757 1.00 0.00 H +ATOM 948 HD3 ARG A1008 -6.655 -22.369 -10.078 1.00 0.00 H +ATOM 949 HD2 ARG A1008 -8.029 -22.233 -9.012 1.00 0.00 H +ATOM 950 HE ARG A1008 -6.221 -23.924 -7.715 1.00 0.00 H +ATOM 951 HH12 ARG A1008 -8.683 -25.573 -10.520 1.00 0.00 H +ATOM 952 HH11 ARG A1008 -8.413 -23.854 -10.526 1.00 0.00 H +ATOM 953 HH22 ARG A1008 -7.748 -26.881 -8.870 1.00 0.00 H +ATOM 954 HH21 ARG A1008 -6.649 -26.193 -7.692 1.00 0.00 H +ATOM 955 N TYR A1009 -7.594 -17.985 -6.900 1.00 17.05 N +ATOM 956 CA TYR A1009 -7.743 -16.708 -7.593 1.00 16.49 C +ATOM 957 C TYR A1009 -6.997 -15.554 -6.902 1.00 15.84 C +ATOM 958 O TYR A1009 -6.252 -14.847 -7.577 1.00 17.19 O +ATOM 959 CB TYR A1009 -9.234 -16.389 -7.850 1.00 16.54 C +ATOM 960 CG TYR A1009 -9.473 -15.021 -8.469 1.00 15.44 C +ATOM 961 CD1 TYR A1009 -9.164 -14.808 -9.827 1.00 15.71 C +ATOM 962 CD2 TYR A1009 -9.930 -13.945 -7.678 1.00 16.15 C +ATOM 963 CE1 TYR A1009 -9.268 -13.521 -10.382 1.00 15.01 C +ATOM 964 CE2 TYR A1009 -10.036 -12.656 -8.235 1.00 15.59 C +ATOM 965 CZ TYR A1009 -9.686 -12.442 -9.583 1.00 15.14 C +ATOM 966 OH TYR A1009 -9.729 -11.191 -10.120 1.00 14.80 O +ATOM 967 H TYR A1009 -8.430 -18.365 -6.477 1.00 0.00 H +ATOM 968 HA TYR A1009 -7.277 -16.840 -8.567 1.00 0.00 H +ATOM 969 HB3 TYR A1009 -9.801 -16.446 -6.921 1.00 0.00 H +ATOM 970 HB2 TYR A1009 -9.662 -17.148 -8.504 1.00 0.00 H +ATOM 971 HD1 TYR A1009 -8.818 -15.627 -10.438 1.00 0.00 H +ATOM 972 HD2 TYR A1009 -10.167 -14.097 -6.634 1.00 0.00 H +ATOM 973 HE1 TYR A1009 -9.009 -13.354 -11.415 1.00 0.00 H +ATOM 974 HE2 TYR A1009 -10.364 -11.833 -7.618 1.00 0.00 H +ATOM 975 HH TYR A1009 -9.952 -10.508 -9.473 1.00 0.00 H +ATOM 976 N THR A1010 -7.200 -15.394 -5.583 1.00 15.66 N +ATOM 977 CA THR A1010 -6.579 -14.335 -4.784 1.00 17.11 C +ATOM 978 C THR A1010 -5.065 -14.542 -4.552 1.00 17.38 C +ATOM 979 O THR A1010 -4.371 -13.548 -4.333 1.00 17.76 O +ATOM 980 CB THR A1010 -7.272 -14.159 -3.411 1.00 17.46 C +ATOM 981 CG2 THR A1010 -8.764 -13.806 -3.517 1.00 17.44 C +ATOM 982 OG1 THR A1010 -7.093 -15.288 -2.578 1.00 18.90 O +ATOM 983 H THR A1010 -7.832 -16.012 -5.090 1.00 0.00 H +ATOM 984 HA THR A1010 -6.711 -13.401 -5.330 1.00 0.00 H +ATOM 985 HB THR A1010 -6.791 -13.326 -2.895 1.00 0.00 H +ATOM 986 HG21 THR A1010 -9.191 -13.604 -2.535 1.00 0.00 H +ATOM 987 HG22 THR A1010 -8.909 -12.915 -4.126 1.00 0.00 H +ATOM 988 HG23 THR A1010 -9.348 -14.603 -3.972 1.00 0.00 H +ATOM 989 HG1 THR A1010 -7.630 -15.176 -1.785 1.00 0.00 H +ATOM 990 N HIS A1011 -4.567 -15.791 -4.647 1.00 18.87 N +ATOM 991 CA HIS A1011 -3.134 -16.099 -4.645 1.00 19.16 C +ATOM 992 C HIS A1011 -2.445 -15.571 -5.914 1.00 18.39 C +ATOM 993 O HIS A1011 -1.434 -14.880 -5.797 1.00 19.43 O +ATOM 994 CB HIS A1011 -2.908 -17.612 -4.444 1.00 20.74 C +ATOM 995 CG HIS A1011 -1.460 -18.039 -4.407 1.00 24.83 C +ATOM 996 CD2 HIS A1011 -0.614 -18.111 -3.320 1.00 29.36 C +ATOM 997 ND1 HIS A1011 -0.755 -18.421 -5.554 1.00 29.48 N +ATOM 998 CE1 HIS A1011 0.471 -18.687 -5.126 1.00 29.45 C +ATOM 999 NE2 HIS A1011 0.615 -18.515 -3.812 1.00 29.98 N +ATOM 1000 H HIS A1011 -5.194 -16.567 -4.807 1.00 0.00 H +ATOM 1001 HA HIS A1011 -2.684 -15.587 -3.792 1.00 0.00 H +ATOM 1002 HB3 HIS A1011 -3.419 -18.184 -5.218 1.00 0.00 H +ATOM 1003 HB2 HIS A1011 -3.347 -17.921 -3.497 1.00 0.00 H +ATOM 1004 HD2 HIS A1011 -0.777 -17.896 -2.275 1.00 0.00 H +ATOM 1005 HE1 HIS A1011 1.273 -19.006 -5.777 1.00 0.00 H +ATOM 1006 HE2 HIS A1011 1.467 -18.640 -3.284 1.00 0.00 H +ATOM 1007 N ARG A1012 -3.029 -15.868 -7.088 1.00 15.95 N +ATOM 1008 CA ARG A1012 -2.547 -15.387 -8.384 1.00 16.74 C +ATOM 1009 C ARG A1012 -2.715 -13.866 -8.564 1.00 15.64 C +ATOM 1010 O ARG A1012 -1.872 -13.247 -9.210 1.00 16.59 O +ATOM 1011 CB ARG A1012 -3.228 -16.191 -9.515 1.00 16.38 C +ATOM 1012 CG ARG A1012 -2.827 -15.766 -10.943 1.00 17.57 C +ATOM 1013 CD ARG A1012 -1.370 -16.103 -11.291 1.00 18.51 C +ATOM 1014 NE ARG A1012 -0.924 -15.415 -12.510 1.00 19.60 N +ATOM 1015 CZ ARG A1012 0.333 -15.005 -12.758 1.00 22.56 C +ATOM 1016 NH1 ARG A1012 1.318 -15.162 -11.860 1.00 23.58 N +ATOM 1017 NH2 ARG A1012 0.605 -14.421 -13.930 1.00 24.09 N1+ +ATOM 1018 H ARG A1012 -3.862 -16.439 -7.101 1.00 0.00 H +ATOM 1019 HA ARG A1012 -1.477 -15.598 -8.407 1.00 0.00 H +ATOM 1020 HB3 ARG A1012 -4.310 -16.092 -9.418 1.00 0.00 H +ATOM 1021 HB2 ARG A1012 -3.011 -17.251 -9.383 1.00 0.00 H +ATOM 1022 HG3 ARG A1012 -3.074 -14.730 -11.172 1.00 0.00 H +ATOM 1023 HG2 ARG A1012 -3.455 -16.361 -11.603 1.00 0.00 H +ATOM 1024 HD3 ARG A1012 -1.294 -17.162 -11.538 1.00 0.00 H +ATOM 1025 HD2 ARG A1012 -0.713 -15.935 -10.443 1.00 0.00 H +ATOM 1026 HE ARG A1012 -1.616 -15.294 -13.237 1.00 0.00 H +ATOM 1027 HH12 ARG A1012 2.260 -14.841 -12.052 1.00 0.00 H +ATOM 1028 HH11 ARG A1012 1.134 -15.589 -10.958 1.00 0.00 H +ATOM 1029 HH22 ARG A1012 1.550 -14.113 -14.136 1.00 0.00 H +ATOM 1030 HH21 ARG A1012 -0.129 -14.279 -14.612 1.00 0.00 H +ATOM 1031 N ARG A1013 -3.776 -13.290 -7.972 1.00 16.05 N +ATOM 1032 CA ARG A1013 -4.060 -11.855 -7.998 1.00 15.24 C +ATOM 1033 C ARG A1013 -2.992 -11.036 -7.258 1.00 16.55 C +ATOM 1034 O ARG A1013 -2.655 -9.951 -7.723 1.00 15.88 O +ATOM 1035 CB ARG A1013 -5.474 -11.599 -7.437 1.00 15.22 C +ATOM 1036 CG ARG A1013 -5.939 -10.137 -7.533 1.00 15.92 C +ATOM 1037 CD ARG A1013 -7.372 -9.912 -7.038 1.00 16.18 C +ATOM 1038 NE ARG A1013 -7.492 -10.097 -5.586 1.00 16.66 N +ATOM 1039 CZ ARG A1013 -8.635 -10.024 -4.884 1.00 17.63 C +ATOM 1040 NH1 ARG A1013 -9.808 -9.775 -5.484 1.00 18.89 N +ATOM 1041 NH2 ARG A1013 -8.603 -10.198 -3.558 1.00 19.67 N1+ +ATOM 1042 H ARG A1013 -4.444 -13.871 -7.483 1.00 0.00 H +ATOM 1043 HA ARG A1013 -4.050 -11.540 -9.043 1.00 0.00 H +ATOM 1044 HB3 ARG A1013 -5.508 -11.918 -6.398 1.00 0.00 H +ATOM 1045 HB2 ARG A1013 -6.190 -12.220 -7.975 1.00 0.00 H +ATOM 1046 HG3 ARG A1013 -5.846 -9.772 -8.553 1.00 0.00 H +ATOM 1047 HG2 ARG A1013 -5.277 -9.519 -6.928 1.00 0.00 H +ATOM 1048 HD3 ARG A1013 -8.016 -10.667 -7.489 1.00 0.00 H +ATOM 1049 HD2 ARG A1013 -7.745 -8.939 -7.359 1.00 0.00 H +ATOM 1050 HE ARG A1013 -6.628 -10.269 -5.083 1.00 0.00 H +ATOM 1051 HH12 ARG A1013 -10.659 -9.688 -4.943 1.00 0.00 H +ATOM 1052 HH11 ARG A1013 -9.846 -9.606 -6.488 1.00 0.00 H +ATOM 1053 HH22 ARG A1013 -9.452 -10.130 -3.008 1.00 0.00 H +ATOM 1054 HH21 ARG A1013 -7.731 -10.389 -3.081 1.00 0.00 H +ATOM 1055 N LYS A1014 -2.465 -11.585 -6.149 1.00 16.95 N +ATOM 1056 CA LYS A1014 -1.365 -11.007 -5.380 1.00 19.83 C +ATOM 1057 C LYS A1014 -0.029 -11.027 -6.147 1.00 18.77 C +ATOM 1058 O LYS A1014 0.692 -10.033 -6.085 1.00 19.30 O +ATOM 1059 CB LYS A1014 -1.290 -11.703 -4.006 1.00 23.98 C +ATOM 1060 CG LYS A1014 -0.165 -11.189 -3.089 1.00 29.37 C +ATOM 1061 CD LYS A1014 -0.214 -11.818 -1.692 1.00 34.88 C +ATOM 1062 CE LYS A1014 0.941 -11.351 -0.800 1.00 39.37 C +ATOM 1063 NZ LYS A1014 0.903 -12.016 0.512 1.00 43.05 N1+ +ATOM 1064 H LYS A1014 -2.793 -12.490 -5.842 1.00 0.00 H +ATOM 1065 HA LYS A1014 -1.613 -9.960 -5.197 1.00 0.00 H +ATOM 1066 HB3 LYS A1014 -1.173 -12.777 -4.143 1.00 0.00 H +ATOM 1067 HB2 LYS A1014 -2.244 -11.568 -3.495 1.00 0.00 H +ATOM 1068 HG3 LYS A1014 -0.228 -10.104 -3.006 1.00 0.00 H +ATOM 1069 HG2 LYS A1014 0.808 -11.406 -3.533 1.00 0.00 H +ATOM 1070 HD3 LYS A1014 -0.189 -12.904 -1.786 1.00 0.00 H +ATOM 1071 HD2 LYS A1014 -1.166 -11.574 -1.218 1.00 0.00 H +ATOM 1072 HE3 LYS A1014 0.891 -10.272 -0.650 1.00 0.00 H +ATOM 1073 HE2 LYS A1014 1.899 -11.569 -1.273 1.00 0.00 H +ATOM 1074 HZ1 LYS A1014 0.966 -13.016 0.386 1.00 0.00 H +ATOM 1075 HZ2 LYS A1014 1.680 -11.696 1.073 1.00 0.00 H +ATOM 1076 HZ3 LYS A1014 0.036 -11.789 0.978 1.00 0.00 H +ATOM 1077 N GLU A1015 0.256 -12.118 -6.883 1.00 18.78 N +ATOM 1078 CA GLU A1015 1.435 -12.241 -7.748 1.00 20.06 C +ATOM 1079 C GLU A1015 1.454 -11.202 -8.880 1.00 19.57 C +ATOM 1080 O GLU A1015 2.464 -10.523 -9.049 1.00 18.20 O +ATOM 1081 CB GLU A1015 1.534 -13.656 -8.350 1.00 22.16 C +ATOM 1082 CG GLU A1015 1.802 -14.768 -7.321 1.00 24.43 C +ATOM 1083 CD GLU A1015 1.890 -16.159 -7.954 1.00 29.21 C +ATOM 1084 OE1 GLU A1015 1.463 -16.314 -9.121 1.00 28.91 O +ATOM 1085 OE2 GLU A1015 2.387 -17.065 -7.253 1.00 33.35 O1- +ATOM 1086 H GLU A1015 -0.381 -12.903 -6.882 1.00 0.00 H +ATOM 1087 HA GLU A1015 2.318 -12.070 -7.132 1.00 0.00 H +ATOM 1088 HB3 GLU A1015 2.332 -13.674 -9.095 1.00 0.00 H +ATOM 1089 HB2 GLU A1015 0.617 -13.879 -8.894 1.00 0.00 H +ATOM 1090 HG3 GLU A1015 1.019 -14.788 -6.564 1.00 0.00 H +ATOM 1091 HG2 GLU A1015 2.736 -14.564 -6.796 1.00 0.00 H +ATOM 1092 N VAL A1016 0.326 -11.084 -9.602 1.00 17.51 N +ATOM 1093 CA VAL A1016 0.128 -10.138 -10.701 1.00 16.20 C +ATOM 1094 C VAL A1016 0.143 -8.667 -10.233 1.00 16.29 C +ATOM 1095 O VAL A1016 0.708 -7.826 -10.933 1.00 16.60 O +ATOM 1096 CB VAL A1016 -1.206 -10.433 -11.450 1.00 15.71 C +ATOM 1097 CG1 VAL A1016 -1.633 -9.342 -12.451 1.00 14.99 C +ATOM 1098 CG2 VAL A1016 -1.148 -11.789 -12.177 1.00 16.48 C +ATOM 1099 H VAL A1016 -0.455 -11.692 -9.393 1.00 0.00 H +ATOM 1100 HA VAL A1016 0.954 -10.270 -11.404 1.00 0.00 H +ATOM 1101 HB VAL A1016 -2.001 -10.513 -10.705 1.00 0.00 H +ATOM 1102 HG11 VAL A1016 -2.418 -9.691 -13.119 1.00 0.00 H +ATOM 1103 HG12 VAL A1016 -2.015 -8.451 -11.950 1.00 0.00 H +ATOM 1104 HG13 VAL A1016 -0.790 -9.043 -13.073 1.00 0.00 H +ATOM 1105 HG21 VAL A1016 -2.116 -12.046 -12.608 1.00 0.00 H +ATOM 1106 HG22 VAL A1016 -0.421 -11.772 -12.987 1.00 0.00 H +ATOM 1107 HG23 VAL A1016 -0.867 -12.602 -11.510 1.00 0.00 H +ATOM 1108 N SER A1017 -0.445 -8.397 -9.054 1.00 15.78 N +ATOM 1109 CA ASER A1017 -0.485 -7.081 -8.416 0.40 17.21 C +ATOM 1110 CA BSER A1017 -0.467 -7.050 -8.389 0.30 16.75 C +ATOM 1111 C SER A1017 0.911 -6.587 -7.995 1.00 17.80 C +ATOM 1112 O SER A1017 1.237 -5.438 -8.281 1.00 17.35 O +ATOM 1113 CB ASER A1017 -1.485 -7.122 -7.243 0.40 17.36 C +ATOM 1114 CB BSER A1017 -1.485 -6.833 -7.261 0.30 16.45 C +ATOM 1115 OG ASER A1017 -1.633 -5.880 -6.593 0.40 18.01 O +ATOM 1116 OG BSER A1017 -1.185 -7.583 -6.101 0.30 15.82 O +ATOM 1117 H SER A1017 -0.894 -9.148 -8.546 1.00 0.00 H +ATOM 1118 HA ASER A1017 -0.866 -6.378 -9.158 0.40 0.00 H +ATOM 1119 HA BSER A1017 -0.744 -6.385 -9.207 0.30 0.00 H +ATOM 1120 HB3ASER A1017 -1.184 -7.866 -6.505 0.40 0.00 H +ATOM 1121 HB3BSER A1017 -2.481 -7.098 -7.616 0.30 0.00 H +ATOM 1122 HB2ASER A1017 -2.469 -7.409 -7.609 0.40 0.00 H +ATOM 1123 HB2BSER A1017 -1.524 -5.774 -7.007 0.30 0.00 H +ATOM 1124 HG ASER A1017 -2.128 -5.290 -7.168 0.40 0.00 H +ATOM 1125 HG BSER A1017 -1.849 -7.413 -5.429 0.30 0.00 H +ATOM 1126 N GLU A1018 1.724 -7.465 -7.382 1.00 18.86 N +ATOM 1127 CA GLU A1018 3.109 -7.175 -6.992 1.00 22.52 C +ATOM 1128 C GLU A1018 4.087 -7.058 -8.182 1.00 21.62 C +ATOM 1129 O GLU A1018 5.123 -6.411 -8.031 1.00 24.19 O +ATOM 1130 CB GLU A1018 3.586 -8.215 -5.958 1.00 25.55 C +ATOM 1131 CG GLU A1018 2.877 -8.061 -4.594 1.00 28.59 C +ATOM 1132 CD GLU A1018 3.284 -9.098 -3.544 1.00 34.21 C +ATOM 1133 OE1 GLU A1018 4.292 -9.805 -3.762 1.00 39.61 O +ATOM 1134 OE2 GLU A1018 2.573 -9.159 -2.518 1.00 40.69 O1- +ATOM 1135 H GLU A1018 1.391 -8.397 -7.171 1.00 0.00 H +ATOM 1136 HA GLU A1018 3.114 -6.200 -6.502 1.00 0.00 H +ATOM 1137 HB3 GLU A1018 4.663 -8.119 -5.813 1.00 0.00 H +ATOM 1138 HB2 GLU A1018 3.422 -9.221 -6.349 1.00 0.00 H +ATOM 1139 HG3 GLU A1018 1.797 -8.115 -4.719 1.00 0.00 H +ATOM 1140 HG2 GLU A1018 3.087 -7.072 -4.184 1.00 0.00 H +ATOM 1141 N GLU A1019 3.731 -7.635 -9.342 1.00 19.13 N +ATOM 1142 CA GLU A1019 4.428 -7.460 -10.622 1.00 19.49 C +ATOM 1143 C GLU A1019 3.970 -6.212 -11.404 1.00 18.88 C +ATOM 1144 O GLU A1019 4.535 -5.946 -12.465 1.00 20.24 O +ATOM 1145 CB GLU A1019 4.236 -8.730 -11.476 1.00 21.07 C +ATOM 1146 CG GLU A1019 5.064 -9.925 -10.970 1.00 23.53 C +ATOM 1147 CD GLU A1019 4.821 -11.228 -11.737 1.00 25.75 C +ATOM 1148 OE1 GLU A1019 3.922 -11.253 -12.605 1.00 24.19 O +ATOM 1149 OE2 GLU A1019 5.543 -12.201 -11.437 1.00 27.23 O1- +ATOM 1150 H GLU A1019 2.880 -8.180 -9.378 1.00 0.00 H +ATOM 1151 HA GLU A1019 5.496 -7.331 -10.439 1.00 0.00 H +ATOM 1152 HB3 GLU A1019 4.508 -8.540 -12.516 1.00 0.00 H +ATOM 1153 HB2 GLU A1019 3.177 -8.994 -11.488 1.00 0.00 H +ATOM 1154 HG3 GLU A1019 4.859 -10.101 -9.917 1.00 0.00 H +ATOM 1155 HG2 GLU A1019 6.125 -9.688 -11.037 1.00 0.00 H +ATOM 1156 N ASN A1020 2.965 -5.478 -10.897 1.00 16.69 N +ATOM 1157 CA ASN A1020 2.349 -4.345 -11.580 1.00 16.78 C +ATOM 1158 C ASN A1020 1.963 -3.258 -10.563 1.00 16.55 C +ATOM 1159 O ASN A1020 0.794 -2.890 -10.491 1.00 15.13 O +ATOM 1160 CB ASN A1020 1.156 -4.856 -12.433 1.00 15.50 C +ATOM 1161 CG ASN A1020 0.619 -3.824 -13.432 1.00 16.13 C +ATOM 1162 ND2 ASN A1020 -0.694 -3.592 -13.412 1.00 15.45 N +ATOM 1163 OD1 ASN A1020 1.375 -3.248 -14.211 1.00 17.14 O +ATOM 1164 H ASN A1020 2.549 -5.745 -10.015 1.00 0.00 H +ATOM 1165 HA ASN A1020 3.071 -3.851 -12.234 1.00 0.00 H +ATOM 1166 HB3 ASN A1020 0.356 -5.222 -11.788 1.00 0.00 H +ATOM 1167 HB2 ASN A1020 1.473 -5.714 -13.027 1.00 0.00 H +ATOM 1168 HD22 ASN A1020 -1.107 -2.929 -14.053 1.00 0.00 H +ATOM 1169 HD21 ASN A1020 -1.277 -4.044 -12.719 1.00 0.00 H +ATOM 1170 N HIS A1021 2.963 -2.744 -9.818 1.00 17.72 N +ATOM 1171 CA HIS A1021 2.908 -1.565 -8.930 1.00 17.62 C +ATOM 1172 C HIS A1021 1.694 -1.498 -7.973 1.00 16.16 C +ATOM 1173 O HIS A1021 1.098 -0.435 -7.797 1.00 16.49 O +ATOM 1174 CB HIS A1021 3.152 -0.261 -9.735 1.00 18.08 C +ATOM 1175 CG HIS A1021 2.266 -0.038 -10.938 1.00 17.66 C +ATOM 1176 CD2 HIS A1021 0.972 0.419 -11.057 1.00 17.11 C +ATOM 1177 ND1 HIS A1021 2.690 -0.300 -12.230 1.00 18.91 N +ATOM 1178 CE1 HIS A1021 1.669 -0.021 -13.042 1.00 17.78 C +ATOM 1179 NE2 HIS A1021 0.592 0.418 -12.401 1.00 17.78 N +ATOM 1180 H HIS A1021 3.892 -3.130 -9.939 1.00 0.00 H +ATOM 1181 HA HIS A1021 3.763 -1.666 -8.262 1.00 0.00 H +ATOM 1182 HB3 HIS A1021 4.185 -0.258 -10.083 1.00 0.00 H +ATOM 1183 HB2 HIS A1021 3.070 0.612 -9.087 1.00 0.00 H +ATOM 1184 HD2 HIS A1021 0.283 0.726 -10.284 1.00 0.00 H +ATOM 1185 HD1 HIS A1021 3.595 -0.654 -12.506 1.00 0.00 H +ATOM 1186 HE1 HIS A1021 1.714 -0.144 -14.114 1.00 0.00 H +ATOM 1187 N ASN A1022 1.358 -2.655 -7.377 1.00 15.33 N +ATOM 1188 CA ASN A1022 0.234 -2.895 -6.460 1.00 16.60 C +ATOM 1189 C ASN A1022 -1.146 -2.660 -7.115 1.00 16.10 C +ATOM 1190 O ASN A1022 -2.040 -2.110 -6.472 1.00 16.96 O +ATOM 1191 CB ASN A1022 0.395 -2.136 -5.113 1.00 18.52 C +ATOM 1192 CG ASN A1022 1.760 -2.332 -4.445 1.00 23.35 C +ATOM 1193 ND2 ASN A1022 2.055 -3.549 -3.982 1.00 27.40 N +ATOM 1194 OD1 ASN A1022 2.541 -1.388 -4.345 1.00 28.18 O +ATOM 1195 H ASN A1022 1.908 -3.475 -7.593 1.00 0.00 H +ATOM 1196 HA ASN A1022 0.247 -3.959 -6.231 1.00 0.00 H +ATOM 1197 HB3 ASN A1022 -0.375 -2.455 -4.409 1.00 0.00 H +ATOM 1198 HB2 ASN A1022 0.237 -1.067 -5.264 1.00 0.00 H +ATOM 1199 HD22 ASN A1022 2.948 -3.721 -3.542 1.00 0.00 H +ATOM 1200 HD21 ASN A1022 1.394 -4.313 -4.074 1.00 0.00 H +ATOM 1201 N HIS A1023 -1.299 -3.101 -8.377 1.00 15.59 N +ATOM 1202 CA HIS A1023 -2.520 -2.963 -9.168 1.00 14.94 C +ATOM 1203 C HIS A1023 -2.772 -4.259 -9.950 1.00 14.07 C +ATOM 1204 O HIS A1023 -2.058 -4.545 -10.911 1.00 14.64 O +ATOM 1205 CB HIS A1023 -2.401 -1.722 -10.083 1.00 15.20 C +ATOM 1206 CG HIS A1023 -3.586 -1.458 -10.980 1.00 14.47 C +ATOM 1207 CD2 HIS A1023 -4.899 -1.220 -10.627 1.00 14.13 C +ATOM 1208 ND1 HIS A1023 -3.479 -1.404 -12.376 1.00 14.99 N +ATOM 1209 CE1 HIS A1023 -4.702 -1.110 -12.798 1.00 13.64 C +ATOM 1210 NE2 HIS A1023 -5.587 -1.002 -11.807 1.00 14.59 N +ATOM 1211 H HIS A1023 -0.510 -3.517 -8.855 1.00 0.00 H +ATOM 1212 HA HIS A1023 -3.372 -2.806 -8.503 1.00 0.00 H +ATOM 1213 HB3 HIS A1023 -1.515 -1.799 -10.712 1.00 0.00 H +ATOM 1214 HB2 HIS A1023 -2.250 -0.832 -9.471 1.00 0.00 H +ATOM 1215 HD2 HIS A1023 -5.381 -1.182 -9.661 1.00 0.00 H +ATOM 1216 HE1 HIS A1023 -4.956 -0.980 -13.839 1.00 0.00 H +ATOM 1217 HE2 HIS A1023 -6.570 -0.792 -11.904 1.00 0.00 H +ATOM 1218 N ALA A1024 -3.801 -5.012 -9.526 1.00 15.33 N +ATOM 1219 CA ALA A1024 -4.257 -6.240 -10.180 1.00 14.66 C +ATOM 1220 C ALA A1024 -4.977 -6.008 -11.520 1.00 14.53 C +ATOM 1221 O ALA A1024 -5.016 -6.931 -12.331 1.00 13.54 O +ATOM 1222 CB ALA A1024 -5.199 -6.991 -9.229 1.00 15.67 C +ATOM 1223 H ALA A1024 -4.334 -4.716 -8.718 1.00 0.00 H +ATOM 1224 HA ALA A1024 -3.387 -6.872 -10.371 1.00 0.00 H +ATOM 1225 HB1 ALA A1024 -5.581 -7.895 -9.703 1.00 0.00 H +ATOM 1226 HB2 ALA A1024 -4.691 -7.288 -8.312 1.00 0.00 H +ATOM 1227 HB3 ALA A1024 -6.059 -6.381 -8.951 1.00 0.00 H +ATOM 1228 N ASN A1025 -5.554 -4.806 -11.713 1.00 13.31 N +ATOM 1229 CA ASN A1025 -6.371 -4.406 -12.867 1.00 12.99 C +ATOM 1230 C ASN A1025 -7.606 -5.319 -13.033 1.00 12.89 C +ATOM 1231 O ASN A1025 -7.851 -5.855 -14.115 1.00 13.54 O +ATOM 1232 CB ASN A1025 -5.492 -4.322 -14.141 1.00 12.67 C +ATOM 1233 CG ASN A1025 -6.057 -3.444 -15.263 1.00 13.38 C +ATOM 1234 ND2 ASN A1025 -5.603 -3.693 -16.491 1.00 13.40 N +ATOM 1235 OD1 ASN A1025 -6.865 -2.546 -15.032 1.00 14.28 O +ATOM 1236 H ASN A1025 -5.479 -4.114 -10.981 1.00 0.00 H +ATOM 1237 HA ASN A1025 -6.797 -3.426 -12.652 1.00 0.00 H +ATOM 1238 HB3 ASN A1025 -5.265 -5.317 -14.519 1.00 0.00 H +ATOM 1239 HB2 ASN A1025 -4.531 -3.879 -13.877 1.00 0.00 H +ATOM 1240 HD22 ASN A1025 -5.900 -3.135 -17.282 1.00 0.00 H +ATOM 1241 HD21 ASN A1025 -4.915 -4.421 -16.637 1.00 0.00 H +ATOM 1242 N GLU A1026 -8.330 -5.510 -11.920 1.00 12.55 N +ATOM 1243 CA GLU A1026 -9.454 -6.432 -11.814 1.00 12.83 C +ATOM 1244 C GLU A1026 -10.733 -5.846 -12.432 1.00 12.79 C +ATOM 1245 O GLU A1026 -11.101 -4.717 -12.104 1.00 12.71 O +ATOM 1246 CB GLU A1026 -9.628 -6.825 -10.337 1.00 13.21 C +ATOM 1247 CG GLU A1026 -10.789 -7.799 -10.075 1.00 14.33 C +ATOM 1248 CD GLU A1026 -10.848 -8.191 -8.606 1.00 15.26 C +ATOM 1249 OE1 GLU A1026 -11.566 -7.499 -7.854 1.00 15.92 O +ATOM 1250 OE2 GLU A1026 -10.194 -9.196 -8.255 1.00 16.85 O1- +ATOM 1251 H GLU A1026 -8.074 -5.019 -11.073 1.00 0.00 H +ATOM 1252 HA GLU A1026 -9.182 -7.336 -12.356 1.00 0.00 H +ATOM 1253 HB3 GLU A1026 -9.767 -5.925 -9.734 1.00 0.00 H +ATOM 1254 HB2 GLU A1026 -8.699 -7.278 -9.986 1.00 0.00 H +ATOM 1255 HG3 GLU A1026 -10.672 -8.695 -10.686 1.00 0.00 H +ATOM 1256 HG2 GLU A1026 -11.748 -7.360 -10.353 1.00 0.00 H +ATOM 1257 N ARG A1027 -11.385 -6.645 -13.291 1.00 12.57 N +ATOM 1258 CA ARG A1027 -12.628 -6.312 -13.988 1.00 13.43 C +ATOM 1259 C ARG A1027 -13.673 -7.416 -13.778 1.00 13.47 C +ATOM 1260 O ARG A1027 -13.307 -8.573 -13.566 1.00 15.54 O +ATOM 1261 CB ARG A1027 -12.363 -6.158 -15.504 1.00 14.05 C +ATOM 1262 CG ARG A1027 -11.196 -5.239 -15.895 1.00 14.83 C +ATOM 1263 CD ARG A1027 -11.386 -3.763 -15.517 1.00 15.54 C +ATOM 1264 NE ARG A1027 -10.188 -2.980 -15.847 1.00 15.55 N +ATOM 1265 CZ ARG A1027 -9.819 -2.583 -17.077 1.00 15.81 C +ATOM 1266 NH1 ARG A1027 -10.570 -2.831 -18.158 1.00 16.71 N +ATOM 1267 NH2 ARG A1027 -8.672 -1.916 -17.236 1.00 16.30 N1+ +ATOM 1268 H ARG A1027 -11.016 -7.569 -13.481 1.00 0.00 H +ATOM 1269 HA ARG A1027 -13.045 -5.384 -13.595 1.00 0.00 H +ATOM 1270 HB3 ARG A1027 -13.272 -5.809 -15.998 1.00 0.00 H +ATOM 1271 HB2 ARG A1027 -12.150 -7.140 -15.929 1.00 0.00 H +ATOM 1272 HG3 ARG A1027 -11.118 -5.295 -16.979 1.00 0.00 H +ATOM 1273 HG2 ARG A1027 -10.248 -5.614 -15.510 1.00 0.00 H +ATOM 1274 HD3 ARG A1027 -11.627 -3.659 -14.461 1.00 0.00 H +ATOM 1275 HD2 ARG A1027 -12.224 -3.327 -16.059 1.00 0.00 H +ATOM 1276 HE ARG A1027 -9.569 -2.779 -15.071 1.00 0.00 H +ATOM 1277 HH12 ARG A1027 -10.258 -2.534 -19.073 1.00 0.00 H +ATOM 1278 HH11 ARG A1027 -11.458 -3.314 -18.075 1.00 0.00 H +ATOM 1279 HH22 ARG A1027 -8.404 -1.591 -18.159 1.00 0.00 H +ATOM 1280 HH21 ARG A1027 -8.054 -1.762 -16.448 1.00 0.00 H +ATOM 1281 N MET A1028 -14.955 -7.040 -13.907 1.00 13.16 N +ATOM 1282 CA MET A1028 -16.078 -7.972 -13.973 1.00 12.99 C +ATOM 1283 C MET A1028 -16.497 -8.127 -15.444 1.00 12.14 C +ATOM 1284 O MET A1028 -17.021 -7.177 -16.024 1.00 11.92 O +ATOM 1285 CB MET A1028 -17.241 -7.466 -13.098 1.00 14.39 C +ATOM 1286 CG MET A1028 -16.955 -7.437 -11.587 1.00 15.98 C +ATOM 1287 SD MET A1028 -16.524 -9.022 -10.807 1.00 17.79 S +ATOM 1288 CE MET A1028 -17.962 -10.041 -11.238 1.00 19.65 C +ATOM 1289 H MET A1028 -15.174 -6.069 -14.086 1.00 0.00 H +ATOM 1290 HA MET A1028 -15.782 -8.945 -13.590 1.00 0.00 H +ATOM 1291 HB3 MET A1028 -18.103 -8.106 -13.264 1.00 0.00 H +ATOM 1292 HB2 MET A1028 -17.543 -6.468 -13.417 1.00 0.00 H +ATOM 1293 HG3 MET A1028 -17.831 -7.045 -11.069 1.00 0.00 H +ATOM 1294 HG2 MET A1028 -16.146 -6.736 -11.380 1.00 0.00 H +ATOM 1295 HE1 MET A1028 -17.916 -10.993 -10.709 1.00 0.00 H +ATOM 1296 HE2 MET A1028 -18.887 -9.535 -10.963 1.00 0.00 H +ATOM 1297 HE3 MET A1028 -17.983 -10.251 -12.308 1.00 0.00 H +ATOM 1298 N LEU A1029 -16.224 -9.306 -16.025 1.00 11.86 N +ATOM 1299 CA LEU A1029 -16.402 -9.593 -17.451 1.00 11.83 C +ATOM 1300 C LEU A1029 -17.211 -10.882 -17.641 1.00 12.46 C +ATOM 1301 O LEU A1029 -17.058 -11.826 -16.867 1.00 13.63 O +ATOM 1302 CB LEU A1029 -15.019 -9.761 -18.117 1.00 12.71 C +ATOM 1303 CG LEU A1029 -14.102 -8.522 -18.082 1.00 12.91 C +ATOM 1304 CD1 LEU A1029 -12.658 -8.898 -18.445 1.00 13.93 C +ATOM 1305 CD2 LEU A1029 -14.623 -7.406 -18.999 1.00 14.13 C +ATOM 1306 H LEU A1029 -15.826 -10.054 -15.469 1.00 0.00 H +ATOM 1307 HA LEU A1029 -16.948 -8.787 -17.943 1.00 0.00 H +ATOM 1308 HB3 LEU A1029 -15.168 -10.044 -19.158 1.00 0.00 H +ATOM 1309 HB2 LEU A1029 -14.501 -10.598 -17.643 1.00 0.00 H +ATOM 1310 HG LEU A1029 -14.072 -8.127 -17.067 1.00 0.00 H +ATOM 1311 HD11 LEU A1029 -12.057 -8.015 -18.663 1.00 0.00 H +ATOM 1312 HD12 LEU A1029 -12.171 -9.417 -17.621 1.00 0.00 H +ATOM 1313 HD13 LEU A1029 -12.620 -9.555 -19.314 1.00 0.00 H +ATOM 1314 HD21 LEU A1029 -13.954 -6.547 -18.990 1.00 0.00 H +ATOM 1315 HD22 LEU A1029 -14.707 -7.747 -20.031 1.00 0.00 H +ATOM 1316 HD23 LEU A1029 -15.605 -7.052 -18.686 1.00 0.00 H +ATOM 1317 N PHE A1030 -18.024 -10.911 -18.706 1.00 12.00 N +ATOM 1318 CA PHE A1030 -18.840 -12.059 -19.097 1.00 11.91 C +ATOM 1319 C PHE A1030 -18.013 -13.188 -19.730 1.00 12.30 C +ATOM 1320 O PHE A1030 -16.986 -12.921 -20.356 1.00 13.01 O +ATOM 1321 CB PHE A1030 -19.960 -11.600 -20.054 1.00 12.30 C +ATOM 1322 CG PHE A1030 -20.964 -10.671 -19.402 1.00 12.95 C +ATOM 1323 CD1 PHE A1030 -21.970 -11.193 -18.561 1.00 13.19 C +ATOM 1324 CD2 PHE A1030 -20.786 -9.273 -19.476 1.00 13.95 C +ATOM 1325 CE1 PHE A1030 -22.795 -10.332 -17.851 1.00 13.13 C +ATOM 1326 CE2 PHE A1030 -21.624 -8.429 -18.763 1.00 14.53 C +ATOM 1327 CZ PHE A1030 -22.618 -8.958 -17.949 1.00 14.75 C +ATOM 1328 H PHE A1030 -18.054 -10.116 -19.331 1.00 0.00 H +ATOM 1329 HA PHE A1030 -19.307 -12.446 -18.193 1.00 0.00 H +ATOM 1330 HB3 PHE A1030 -20.506 -12.467 -20.428 1.00 0.00 H +ATOM 1331 HB2 PHE A1030 -19.536 -11.110 -20.932 1.00 0.00 H +ATOM 1332 HD1 PHE A1030 -22.090 -12.262 -18.453 1.00 0.00 H +ATOM 1333 HD2 PHE A1030 -19.996 -8.856 -20.083 1.00 0.00 H +ATOM 1334 HE1 PHE A1030 -23.564 -10.730 -17.206 1.00 0.00 H +ATOM 1335 HE2 PHE A1030 -21.490 -7.359 -18.831 1.00 0.00 H +ATOM 1336 HZ PHE A1030 -23.249 -8.298 -17.375 1.00 0.00 H +ATOM 1337 N HIS A1031 -18.515 -14.424 -19.586 1.00 12.21 N +ATOM 1338 CA HIS A1031 -17.975 -15.620 -20.222 1.00 12.97 C +ATOM 1339 C HIS A1031 -19.113 -16.597 -20.539 1.00 13.61 C +ATOM 1340 O HIS A1031 -19.849 -16.978 -19.630 1.00 13.46 O +ATOM 1341 CB HIS A1031 -16.907 -16.272 -19.324 1.00 12.97 C +ATOM 1342 CG HIS A1031 -16.247 -17.478 -19.941 1.00 13.17 C +ATOM 1343 CD2 HIS A1031 -16.447 -18.828 -19.758 1.00 13.48 C +ATOM 1344 ND1 HIS A1031 -15.254 -17.377 -20.897 1.00 13.47 N +ATOM 1345 CE1 HIS A1031 -14.906 -18.614 -21.245 1.00 14.35 C +ATOM 1346 NE2 HIS A1031 -15.591 -19.547 -20.596 1.00 13.93 N +ATOM 1347 H HIS A1031 -19.353 -14.559 -19.033 1.00 0.00 H +ATOM 1348 HA HIS A1031 -17.498 -15.325 -21.155 1.00 0.00 H +ATOM 1349 HB3 HIS A1031 -17.334 -16.565 -18.367 1.00 0.00 H +ATOM 1350 HB2 HIS A1031 -16.132 -15.544 -19.098 1.00 0.00 H +ATOM 1351 HD2 HIS A1031 -17.140 -19.333 -19.100 1.00 0.00 H +ATOM 1352 HD1 HIS A1031 -14.851 -16.524 -21.273 1.00 0.00 H +ATOM 1353 HE1 HIS A1031 -14.145 -18.831 -21.979 1.00 0.00 H +ATOM 1354 N GLY A1032 -19.204 -17.008 -21.813 1.00 12.75 N +ATOM 1355 CA GLY A1032 -20.115 -18.050 -22.279 1.00 13.57 C +ATOM 1356 C GLY A1032 -19.272 -19.184 -22.857 1.00 13.69 C +ATOM 1357 O GLY A1032 -18.236 -18.939 -23.475 1.00 15.22 O +ATOM 1358 H GLY A1032 -18.539 -16.658 -22.491 1.00 0.00 H +ATOM 1359 HA3 GLY A1032 -20.765 -17.657 -23.056 1.00 0.00 H +ATOM 1360 HA2 GLY A1032 -20.757 -18.422 -21.480 1.00 0.00 H +ATOM 1361 N SER A1033 -19.731 -20.428 -22.661 1.00 14.00 N +ATOM 1362 CA SER A1033 -18.994 -21.644 -23.001 1.00 14.18 C +ATOM 1363 C SER A1033 -19.921 -22.872 -22.931 1.00 16.69 C +ATOM 1364 O SER A1033 -20.783 -22.917 -22.052 1.00 16.42 O +ATOM 1365 CB SER A1033 -17.814 -21.789 -22.013 1.00 14.83 C +ATOM 1366 OG SER A1033 -17.130 -23.017 -22.147 1.00 15.39 O +ATOM 1367 H SER A1033 -20.595 -20.566 -22.151 1.00 0.00 H +ATOM 1368 HA SER A1033 -18.608 -21.518 -24.012 1.00 0.00 H +ATOM 1369 HB3 SER A1033 -18.158 -21.702 -20.982 1.00 0.00 H +ATOM 1370 HB2 SER A1033 -17.093 -20.992 -22.179 1.00 0.00 H +ATOM 1371 HG SER A1033 -16.210 -22.874 -21.893 1.00 0.00 H +ATOM 1372 N PRO A1034 -19.674 -23.899 -23.780 1.00 17.14 N +ATOM 1373 CA PRO A1034 -20.302 -25.224 -23.609 1.00 19.11 C +ATOM 1374 C PRO A1034 -19.816 -26.018 -22.372 1.00 20.40 C +ATOM 1375 O PRO A1034 -20.381 -27.076 -22.099 1.00 22.04 O +ATOM 1376 CB PRO A1034 -19.957 -25.942 -24.924 1.00 19.93 C +ATOM 1377 CG PRO A1034 -18.607 -25.369 -25.317 1.00 20.73 C +ATOM 1378 CD PRO A1034 -18.722 -23.909 -24.897 1.00 18.71 C +ATOM 1379 HA PRO A1034 -21.384 -25.123 -23.531 1.00 0.00 H +ATOM 1380 HB3 PRO A1034 -20.700 -25.687 -25.682 1.00 0.00 H +ATOM 1381 HB2 PRO A1034 -19.933 -27.030 -24.845 1.00 0.00 H +ATOM 1382 HG3 PRO A1034 -18.364 -25.500 -26.371 1.00 0.00 H +ATOM 1383 HG2 PRO A1034 -17.824 -25.853 -24.731 1.00 0.00 H +ATOM 1384 HD2 PRO A1034 -17.741 -23.506 -24.652 1.00 0.00 H +ATOM 1385 HD3 PRO A1034 -19.137 -23.318 -25.710 1.00 0.00 H +ATOM 1386 N PHE A1035 -18.800 -25.503 -21.656 1.00 18.63 N +ATOM 1387 CA PHE A1035 -18.149 -26.132 -20.505 1.00 19.78 C +ATOM 1388 C PHE A1035 -18.480 -25.406 -19.183 1.00 19.06 C +ATOM 1389 O PHE A1035 -17.736 -25.578 -18.220 1.00 19.10 O +ATOM 1390 CB PHE A1035 -16.619 -26.131 -20.740 1.00 21.82 C +ATOM 1391 CG PHE A1035 -16.140 -26.660 -22.083 1.00 23.95 C +ATOM 1392 CD1 PHE A1035 -16.572 -27.916 -22.560 1.00 27.75 C +ATOM 1393 CD2 PHE A1035 -15.190 -25.931 -22.831 1.00 26.28 C +ATOM 1394 CE1 PHE A1035 -16.101 -28.395 -23.775 1.00 29.34 C +ATOM 1395 CE2 PHE A1035 -14.725 -26.433 -24.039 1.00 27.57 C +ATOM 1396 CZ PHE A1035 -15.187 -27.654 -24.513 1.00 27.71 C +ATOM 1397 H PHE A1035 -18.384 -24.630 -21.955 1.00 0.00 H +ATOM 1398 HA PHE A1035 -18.485 -27.164 -20.402 1.00 0.00 H +ATOM 1399 HB3 PHE A1035 -16.129 -26.725 -19.967 1.00 0.00 H +ATOM 1400 HB2 PHE A1035 -16.240 -25.116 -20.621 1.00 0.00 H +ATOM 1401 HD1 PHE A1035 -17.279 -28.502 -21.992 1.00 0.00 H +ATOM 1402 HD2 PHE A1035 -14.824 -24.979 -22.475 1.00 0.00 H +ATOM 1403 HE1 PHE A1035 -16.445 -29.349 -24.146 1.00 0.00 H +ATOM 1404 HE2 PHE A1035 -14.000 -25.873 -24.611 1.00 0.00 H +ATOM 1405 HZ PHE A1035 -14.826 -28.032 -25.459 1.00 0.00 H +ATOM 1406 N VAL A1036 -19.567 -24.611 -19.145 1.00 20.31 N +ATOM 1407 CA VAL A1036 -19.998 -23.799 -17.997 1.00 21.38 C +ATOM 1408 C VAL A1036 -20.158 -24.559 -16.659 1.00 22.80 C +ATOM 1409 O VAL A1036 -19.802 -24.003 -15.620 1.00 20.49 O +ATOM 1410 CB VAL A1036 -21.308 -23.020 -18.321 1.00 22.63 C +ATOM 1411 CG1 VAL A1036 -22.516 -23.920 -18.645 1.00 24.21 C +ATOM 1412 CG2 VAL A1036 -21.703 -22.001 -17.235 1.00 24.50 C +ATOM 1413 H VAL A1036 -20.132 -24.524 -19.977 1.00 0.00 H +ATOM 1414 HA VAL A1036 -19.208 -23.062 -17.843 1.00 0.00 H +ATOM 1415 HB VAL A1036 -21.091 -22.442 -19.219 1.00 0.00 H +ATOM 1416 HG11 VAL A1036 -23.369 -23.321 -18.964 1.00 0.00 H +ATOM 1417 HG12 VAL A1036 -22.292 -24.616 -19.453 1.00 0.00 H +ATOM 1418 HG13 VAL A1036 -22.839 -24.503 -17.783 1.00 0.00 H +ATOM 1419 HG21 VAL A1036 -22.489 -21.333 -17.590 1.00 0.00 H +ATOM 1420 HG22 VAL A1036 -22.073 -22.486 -16.330 1.00 0.00 H +ATOM 1421 HG23 VAL A1036 -20.849 -21.389 -16.956 1.00 0.00 H +ATOM 1422 N ASN A1037 -20.631 -25.818 -16.709 1.00 25.60 N +ATOM 1423 CA AASN A1037 -20.783 -26.685 -15.535 0.50 26.77 C +ATOM 1424 CA BASN A1037 -20.743 -26.774 -15.609 0.50 26.45 C +ATOM 1425 C ASN A1037 -19.426 -27.152 -14.979 1.00 25.98 C +ATOM 1426 O ASN A1037 -19.256 -27.158 -13.762 1.00 27.65 O +ATOM 1427 CB AASN A1037 -21.692 -27.892 -15.863 0.50 28.54 C +ATOM 1428 CB BASN A1037 -21.559 -28.025 -15.984 0.50 27.89 C +ATOM 1429 CG AASN A1037 -23.127 -27.494 -16.226 0.50 30.37 C +ATOM 1430 CG BASN A1037 -21.842 -28.938 -14.786 0.50 29.44 C +ATOM 1431 ND2AASN A1037 -23.903 -27.041 -15.240 0.50 31.22 N +ATOM 1432 ND2BASN A1037 -21.602 -30.227 -14.971 0.50 29.79 N +ATOM 1433 OD1AASN A1037 -23.532 -27.599 -17.381 0.50 31.96 O +ATOM 1434 OD1BASN A1037 -22.278 -28.495 -13.725 0.50 29.32 O +ATOM 1435 H ASN A1037 -20.883 -26.221 -17.602 1.00 0.00 H +ATOM 1436 HA AASN A1037 -21.280 -26.090 -14.766 0.50 0.00 H +ATOM 1437 HA BASN A1037 -21.281 -26.264 -14.809 0.50 0.00 H +ATOM 1438 HB3AASN A1037 -21.744 -28.562 -15.003 0.50 0.00 H +ATOM 1439 HB3BASN A1037 -21.027 -28.588 -16.751 0.50 0.00 H +ATOM 1440 HB2AASN A1037 -21.264 -28.479 -16.678 0.50 0.00 H +ATOM 1441 HB2BASN A1037 -22.502 -27.720 -16.437 0.50 0.00 H +ATOM 1442 HD22AASN A1037 -24.861 -26.784 -15.430 0.50 0.00 H +ATOM 1443 HD22BASN A1037 -21.767 -30.884 -14.222 0.50 0.00 H +ATOM 1444 HD21AASN A1037 -23.549 -26.967 -14.298 0.50 0.00 H +ATOM 1445 HD21BASN A1037 -21.254 -30.553 -15.861 0.50 0.00 H +ATOM 1446 N ALA A1038 -18.474 -27.489 -15.866 1.00 24.30 N +ATOM 1447 CA ALA A1038 -17.102 -27.841 -15.497 1.00 24.76 C +ATOM 1448 C ALA A1038 -16.301 -26.660 -14.923 1.00 23.55 C +ATOM 1449 O ALA A1038 -15.487 -26.883 -14.030 1.00 23.83 O +ATOM 1450 CB ALA A1038 -16.375 -28.448 -16.706 1.00 26.78 C +ATOM 1451 H ALA A1038 -18.677 -27.461 -16.856 1.00 0.00 H +ATOM 1452 HA ALA A1038 -17.157 -28.605 -14.720 1.00 0.00 H +ATOM 1453 HB1 ALA A1038 -15.338 -28.686 -16.468 1.00 0.00 H +ATOM 1454 HB2 ALA A1038 -16.855 -29.372 -17.028 1.00 0.00 H +ATOM 1455 HB3 ALA A1038 -16.365 -27.766 -17.557 1.00 0.00 H +ATOM 1456 N ILE A1039 -16.557 -25.439 -15.426 1.00 18.38 N +ATOM 1457 CA ILE A1039 -15.893 -24.206 -15.001 1.00 17.33 C +ATOM 1458 C ILE A1039 -16.275 -23.773 -13.571 1.00 17.21 C +ATOM 1459 O ILE A1039 -15.383 -23.358 -12.835 1.00 18.61 O +ATOM 1460 CB ILE A1039 -16.147 -23.039 -16.002 1.00 15.94 C +ATOM 1461 CG1 ILE A1039 -15.442 -23.316 -17.347 1.00 16.28 C +ATOM 1462 CG2 ILE A1039 -15.728 -21.640 -15.501 1.00 15.39 C +ATOM 1463 CD1 ILE A1039 -15.965 -22.474 -18.520 1.00 16.29 C +ATOM 1464 H ILE A1039 -17.230 -25.346 -16.175 1.00 0.00 H +ATOM 1465 HA ILE A1039 -14.818 -24.406 -14.996 1.00 0.00 H +ATOM 1466 HB ILE A1039 -17.221 -23.006 -16.193 1.00 0.00 H +ATOM 1467 HG13 ILE A1039 -15.532 -24.366 -17.617 1.00 0.00 H +ATOM 1468 HG12 ILE A1039 -14.374 -23.136 -17.228 1.00 0.00 H +ATOM 1469 HG21 ILE A1039 -15.869 -20.889 -16.276 1.00 0.00 H +ATOM 1470 HG22 ILE A1039 -16.323 -21.311 -14.651 1.00 0.00 H +ATOM 1471 HG23 ILE A1039 -14.678 -21.620 -15.208 1.00 0.00 H +ATOM 1472 HD11 ILE A1039 -15.915 -23.037 -19.451 1.00 0.00 H +ATOM 1473 HD12 ILE A1039 -17.001 -22.166 -18.379 1.00 0.00 H +ATOM 1474 HD13 ILE A1039 -15.363 -21.576 -18.648 1.00 0.00 H +ATOM 1475 N ILE A1040 -17.560 -23.887 -13.183 1.00 17.81 N +ATOM 1476 CA ILE A1040 -18.000 -23.538 -11.825 1.00 19.62 C +ATOM 1477 C ILE A1040 -17.550 -24.548 -10.751 1.00 20.32 C +ATOM 1478 O ILE A1040 -17.344 -24.130 -9.613 1.00 20.35 O +ATOM 1479 CB ILE A1040 -19.537 -23.328 -11.702 1.00 21.30 C +ATOM 1480 CG1 ILE A1040 -20.398 -24.573 -12.032 1.00 21.24 C +ATOM 1481 CG2 ILE A1040 -19.979 -22.101 -12.516 1.00 21.16 C +ATOM 1482 CD1 ILE A1040 -21.879 -24.427 -11.657 1.00 23.69 C +ATOM 1483 H ILE A1040 -18.265 -24.217 -13.828 1.00 0.00 H +ATOM 1484 HA ILE A1040 -17.529 -22.588 -11.565 1.00 0.00 H +ATOM 1485 HB ILE A1040 -19.738 -23.081 -10.658 1.00 0.00 H +ATOM 1486 HG13 ILE A1040 -20.019 -25.459 -11.524 1.00 0.00 H +ATOM 1487 HG12 ILE A1040 -20.321 -24.783 -13.096 1.00 0.00 H +ATOM 1488 HG21 ILE A1040 -21.025 -21.851 -12.338 1.00 0.00 H +ATOM 1489 HG22 ILE A1040 -19.389 -21.222 -12.257 1.00 0.00 H +ATOM 1490 HG23 ILE A1040 -19.855 -22.277 -13.584 1.00 0.00 H +ATOM 1491 HD11 ILE A1040 -22.351 -25.405 -11.560 1.00 0.00 H +ATOM 1492 HD12 ILE A1040 -22.004 -23.908 -10.707 1.00 0.00 H +ATOM 1493 HD13 ILE A1040 -22.426 -23.872 -12.420 1.00 0.00 H +ATOM 1494 N HIS A1041 -17.390 -25.832 -11.123 1.00 19.92 N +ATOM 1495 CA HIS A1041 -17.028 -26.910 -10.204 1.00 21.11 C +ATOM 1496 C HIS A1041 -15.512 -27.115 -10.060 1.00 21.84 C +ATOM 1497 O HIS A1041 -15.047 -27.254 -8.928 1.00 23.02 O +ATOM 1498 CB HIS A1041 -17.743 -28.218 -10.609 1.00 21.47 C +ATOM 1499 CG HIS A1041 -19.215 -28.247 -10.271 1.00 23.30 C +ATOM 1500 CD2 HIS A1041 -20.298 -28.508 -11.086 1.00 23.38 C +ATOM 1501 ND1 HIS A1041 -19.684 -28.011 -8.973 1.00 24.84 N +ATOM 1502 CE1 HIS A1041 -21.004 -28.107 -9.058 1.00 25.01 C +ATOM 1503 NE2 HIS A1041 -21.423 -28.400 -10.288 1.00 25.49 N +ATOM 1504 H HIS A1041 -17.574 -26.099 -12.080 1.00 0.00 H +ATOM 1505 HA HIS A1041 -17.381 -26.647 -9.207 1.00 0.00 H +ATOM 1506 HB3 HIS A1041 -17.285 -29.072 -10.109 1.00 0.00 H +ATOM 1507 HB2 HIS A1041 -17.624 -28.397 -11.679 1.00 0.00 H +ATOM 1508 HD2 HIS A1041 -20.360 -28.750 -12.136 1.00 0.00 H +ATOM 1509 HE1 HIS A1041 -21.666 -27.967 -8.216 1.00 0.00 H +ATOM 1510 HE2 HIS A1041 -22.382 -28.528 -10.579 1.00 0.00 H +ATOM 1511 N LYS A1042 -14.775 -27.145 -11.183 1.00 22.14 N +ATOM 1512 CA LYS A1042 -13.334 -27.423 -11.213 1.00 24.48 C +ATOM 1513 C LYS A1042 -12.473 -26.165 -11.403 1.00 22.24 C +ATOM 1514 O LYS A1042 -11.262 -26.257 -11.199 1.00 23.81 O +ATOM 1515 CB LYS A1042 -13.026 -28.454 -12.319 1.00 29.65 C +ATOM 1516 CG LYS A1042 -13.620 -29.845 -12.032 1.00 34.53 C +ATOM 1517 CD LYS A1042 -13.243 -30.904 -13.084 1.00 39.82 C +ATOM 1518 CE LYS A1042 -13.934 -30.732 -14.446 1.00 41.95 C +ATOM 1519 NZ LYS A1042 -15.388 -30.946 -14.352 1.00 43.95 N1+ +ATOM 1520 H LYS A1042 -15.220 -27.011 -12.082 1.00 0.00 H +ATOM 1521 HA LYS A1042 -13.022 -27.865 -10.265 1.00 0.00 H +ATOM 1522 HB3 LYS A1042 -11.944 -28.571 -12.408 1.00 0.00 H +ATOM 1523 HB2 LYS A1042 -13.360 -28.080 -13.285 1.00 0.00 H +ATOM 1524 HG3 LYS A1042 -14.705 -29.778 -11.942 1.00 0.00 H +ATOM 1525 HG2 LYS A1042 -13.264 -30.183 -11.058 1.00 0.00 H +ATOM 1526 HD3 LYS A1042 -13.464 -31.896 -12.687 1.00 0.00 H +ATOM 1527 HD2 LYS A1042 -12.163 -30.887 -13.234 1.00 0.00 H +ATOM 1528 HE3 LYS A1042 -13.530 -31.454 -15.156 1.00 0.00 H +ATOM 1529 HE2 LYS A1042 -13.743 -29.742 -14.860 1.00 0.00 H +ATOM 1530 HZ1 LYS A1042 -15.807 -30.845 -15.266 1.00 0.00 H +ATOM 1531 HZ2 LYS A1042 -15.572 -31.875 -14.000 1.00 0.00 H +ATOM 1532 HZ3 LYS A1042 -15.787 -30.263 -13.722 1.00 0.00 H +ATOM 1533 N GLY A1043 -13.084 -25.028 -11.773 1.00 21.48 N +ATOM 1534 CA GLY A1043 -12.390 -23.769 -12.050 1.00 20.20 C +ATOM 1535 C GLY A1043 -11.957 -23.705 -13.520 1.00 21.07 C +ATOM 1536 O GLY A1043 -11.968 -24.708 -14.234 1.00 22.15 O +ATOM 1537 H GLY A1043 -14.084 -25.027 -11.919 1.00 0.00 H +ATOM 1538 HA3 GLY A1043 -11.512 -23.653 -11.413 1.00 0.00 H +ATOM 1539 HA2 GLY A1043 -13.053 -22.935 -11.821 1.00 0.00 H +ATOM 1540 N PHE A1044 -11.545 -22.503 -13.952 1.00 17.87 N +ATOM 1541 CA PHE A1044 -10.929 -22.237 -15.255 1.00 17.86 C +ATOM 1542 C PHE A1044 -9.565 -22.935 -15.427 1.00 18.70 C +ATOM 1543 O PHE A1044 -8.807 -23.015 -14.459 1.00 20.23 O +ATOM 1544 CB PHE A1044 -10.771 -20.714 -15.429 1.00 17.65 C +ATOM 1545 CG PHE A1044 -12.021 -19.957 -15.827 1.00 16.01 C +ATOM 1546 CD1 PHE A1044 -12.543 -20.097 -17.128 1.00 15.61 C +ATOM 1547 CD2 PHE A1044 -12.702 -19.146 -14.895 1.00 15.64 C +ATOM 1548 CE1 PHE A1044 -13.674 -19.387 -17.496 1.00 14.70 C +ATOM 1549 CE2 PHE A1044 -13.839 -18.449 -15.283 1.00 15.01 C +ATOM 1550 CZ PHE A1044 -14.319 -18.564 -16.582 1.00 14.40 C +ATOM 1551 H PHE A1044 -11.573 -21.721 -13.312 1.00 0.00 H +ATOM 1552 HA PHE A1044 -11.598 -22.609 -16.030 1.00 0.00 H +ATOM 1553 HB3 PHE A1044 -10.017 -20.495 -16.185 1.00 0.00 H +ATOM 1554 HB2 PHE A1044 -10.394 -20.280 -14.505 1.00 0.00 H +ATOM 1555 HD1 PHE A1044 -12.052 -20.736 -17.848 1.00 0.00 H +ATOM 1556 HD2 PHE A1044 -12.329 -19.040 -13.888 1.00 0.00 H +ATOM 1557 HE1 PHE A1044 -14.048 -19.477 -18.502 1.00 0.00 H +ATOM 1558 HE2 PHE A1044 -14.348 -17.811 -14.575 1.00 0.00 H +ATOM 1559 HZ PHE A1044 -15.201 -18.020 -16.884 1.00 0.00 H +ATOM 1560 N ASP A1045 -9.264 -23.384 -16.658 1.00 21.02 N +ATOM 1561 CA ASP A1045 -7.992 -24.020 -17.030 1.00 24.64 C +ATOM 1562 C ASP A1045 -7.833 -24.063 -18.566 1.00 24.79 C +ATOM 1563 O ASP A1045 -8.605 -23.426 -19.285 1.00 21.83 O +ATOM 1564 CB ASP A1045 -7.746 -25.394 -16.339 1.00 26.81 C +ATOM 1565 CG ASP A1045 -8.896 -26.401 -16.429 1.00 31.82 C +ATOM 1566 OD1 ASP A1045 -9.430 -26.582 -17.546 1.00 30.34 O +ATOM 1567 OD2 ASP A1045 -9.152 -27.056 -15.394 1.00 37.40 O1- +ATOM 1568 H ASP A1045 -9.942 -23.303 -17.403 1.00 0.00 H +ATOM 1569 HA ASP A1045 -7.199 -23.350 -16.692 1.00 0.00 H +ATOM 1570 HB3 ASP A1045 -7.562 -25.200 -15.282 1.00 0.00 H +ATOM 1571 HB2 ASP A1045 -6.836 -25.879 -16.686 1.00 0.00 H +ATOM 1572 N GLU A1046 -6.818 -24.805 -19.045 1.00 26.70 N +ATOM 1573 CA GLU A1046 -6.475 -24.997 -20.458 1.00 30.66 C +ATOM 1574 C GLU A1046 -7.549 -25.709 -21.305 1.00 29.54 C +ATOM 1575 O GLU A1046 -7.571 -25.491 -22.516 1.00 29.77 O +ATOM 1576 CB GLU A1046 -5.102 -25.702 -20.583 1.00 35.06 C +ATOM 1577 CG GLU A1046 -5.015 -27.194 -20.170 1.00 38.96 C +ATOM 1578 CD GLU A1046 -5.191 -27.460 -18.672 1.00 46.26 C +ATOM 1579 OE1 GLU A1046 -4.655 -26.654 -17.879 1.00 49.89 O +ATOM 1580 OE2 GLU A1046 -5.869 -28.458 -18.346 1.00 52.60 O1- +ATOM 1581 H GLU A1046 -6.228 -25.306 -18.391 1.00 0.00 H +ATOM 1582 HA GLU A1046 -6.367 -23.998 -20.883 1.00 0.00 H +ATOM 1583 HB3 GLU A1046 -4.359 -25.131 -20.025 1.00 0.00 H +ATOM 1584 HB2 GLU A1046 -4.779 -25.626 -21.622 1.00 0.00 H +ATOM 1585 HG3 GLU A1046 -4.036 -27.583 -20.448 1.00 0.00 H +ATOM 1586 HG2 GLU A1046 -5.737 -27.789 -20.730 1.00 0.00 H +ATOM 1587 N ARG A1047 -8.432 -26.509 -20.676 1.00 28.78 N +ATOM 1588 CA ARG A1047 -9.579 -27.142 -21.344 1.00 30.16 C +ATOM 1589 C ARG A1047 -10.686 -26.141 -21.727 1.00 26.36 C +ATOM 1590 O ARG A1047 -11.538 -26.475 -22.550 1.00 24.38 O +ATOM 1591 CB ARG A1047 -10.180 -28.255 -20.463 1.00 37.09 C +ATOM 1592 CG ARG A1047 -9.165 -29.293 -19.953 1.00 42.90 C +ATOM 1593 CD ARG A1047 -9.837 -30.513 -19.302 1.00 48.10 C +ATOM 1594 NE ARG A1047 -10.623 -30.134 -18.120 1.00 54.78 N +ATOM 1595 CZ ARG A1047 -10.123 -29.749 -16.935 1.00 61.16 C +ATOM 1596 NH1 ARG A1047 -8.806 -29.782 -16.683 1.00 66.11 N +ATOM 1597 NH2 ARG A1047 -10.964 -29.306 -15.993 1.00 63.54 N1+ +ATOM 1598 H ARG A1047 -8.369 -26.637 -19.674 1.00 0.00 H +ATOM 1599 HA ARG A1047 -9.222 -27.602 -22.268 1.00 0.00 H +ATOM 1600 HB3 ARG A1047 -10.945 -28.773 -21.043 1.00 0.00 H +ATOM 1601 HB2 ARG A1047 -10.699 -27.813 -19.610 1.00 0.00 H +ATOM 1602 HG3 ARG A1047 -8.500 -28.811 -19.236 1.00 0.00 H +ATOM 1603 HG2 ARG A1047 -8.527 -29.638 -20.766 1.00 0.00 H +ATOM 1604 HD3 ARG A1047 -9.111 -31.291 -19.064 1.00 0.00 H +ATOM 1605 HD2 ARG A1047 -10.533 -30.954 -20.016 1.00 0.00 H +ATOM 1606 HE ARG A1047 -11.620 -30.040 -18.269 1.00 0.00 H +ATOM 1607 HH12 ARG A1047 -8.449 -29.376 -15.829 1.00 0.00 H +ATOM 1608 HH11 ARG A1047 -8.153 -30.066 -17.400 1.00 0.00 H +ATOM 1609 HH22 ARG A1047 -10.583 -28.875 -15.161 1.00 0.00 H +ATOM 1610 HH21 ARG A1047 -11.951 -29.233 -16.186 1.00 0.00 H +ATOM 1611 N HIS A1048 -10.652 -24.947 -21.115 1.00 22.61 N +ATOM 1612 CA HIS A1048 -11.617 -23.863 -21.281 1.00 20.83 C +ATOM 1613 C HIS A1048 -11.078 -22.731 -22.177 1.00 20.51 C +ATOM 1614 O HIS A1048 -11.766 -21.723 -22.343 1.00 18.47 O +ATOM 1615 CB HIS A1048 -12.033 -23.379 -19.873 1.00 20.79 C +ATOM 1616 CG HIS A1048 -12.503 -24.498 -18.973 1.00 19.81 C +ATOM 1617 CD2 HIS A1048 -13.381 -25.523 -19.261 1.00 21.41 C +ATOM 1618 ND1 HIS A1048 -12.035 -24.667 -17.668 1.00 21.83 N +ATOM 1619 CE1 HIS A1048 -12.625 -25.772 -17.232 1.00 21.74 C +ATOM 1620 NE2 HIS A1048 -13.438 -26.320 -18.134 1.00 22.75 N +ATOM 1621 H HIS A1048 -9.910 -24.766 -20.452 1.00 0.00 H +ATOM 1622 HA HIS A1048 -12.509 -24.247 -21.778 1.00 0.00 H +ATOM 1623 HB3 HIS A1048 -12.826 -22.635 -19.925 1.00 0.00 H +ATOM 1624 HB2 HIS A1048 -11.194 -22.879 -19.388 1.00 0.00 H +ATOM 1625 HD2 HIS A1048 -13.925 -25.754 -20.163 1.00 0.00 H +ATOM 1626 HE1 HIS A1048 -12.454 -26.195 -16.254 1.00 0.00 H +ATOM 1627 HE2 HIS A1048 -13.969 -27.173 -18.024 1.00 0.00 H +ATOM 1628 N ALA A1049 -9.881 -22.915 -22.762 1.00 20.45 N +ATOM 1629 CA ALA A1049 -9.280 -21.991 -23.719 1.00 19.94 C +ATOM 1630 C ALA A1049 -9.873 -22.162 -25.130 1.00 20.10 C +ATOM 1631 O ALA A1049 -10.086 -23.292 -25.572 1.00 20.72 O +ATOM 1632 CB ALA A1049 -7.760 -22.219 -23.737 1.00 20.74 C +ATOM 1633 H ALA A1049 -9.367 -23.766 -22.583 1.00 0.00 H +ATOM 1634 HA ALA A1049 -9.470 -20.977 -23.371 1.00 0.00 H +ATOM 1635 HB1 ALA A1049 -7.263 -21.536 -24.427 1.00 0.00 H +ATOM 1636 HB2 ALA A1049 -7.328 -22.054 -22.750 1.00 0.00 H +ATOM 1637 HB3 ALA A1049 -7.508 -23.234 -24.044 1.00 0.00 H +ATOM 1638 N TYR A1050 -10.073 -21.031 -25.827 1.00 18.60 N +ATOM 1639 CA TYR A1050 -10.402 -20.976 -27.250 1.00 19.06 C +ATOM 1640 C TYR A1050 -9.088 -21.054 -28.041 1.00 20.58 C +ATOM 1641 O TYR A1050 -8.403 -20.042 -28.191 1.00 21.87 O +ATOM 1642 CB TYR A1050 -11.195 -19.686 -27.549 1.00 18.74 C +ATOM 1643 CG TYR A1050 -11.705 -19.457 -28.971 1.00 17.46 C +ATOM 1644 CD1 TYR A1050 -11.682 -20.469 -29.959 1.00 18.05 C +ATOM 1645 CD2 TYR A1050 -12.237 -18.193 -29.301 1.00 17.39 C +ATOM 1646 CE1 TYR A1050 -12.139 -20.207 -31.264 1.00 18.89 C +ATOM 1647 CE2 TYR A1050 -12.729 -17.943 -30.596 1.00 19.17 C +ATOM 1648 CZ TYR A1050 -12.660 -18.940 -31.585 1.00 19.40 C +ATOM 1649 OH TYR A1050 -13.089 -18.675 -32.853 1.00 20.47 O +ATOM 1650 H TYR A1050 -9.846 -20.144 -25.395 1.00 0.00 H +ATOM 1651 HA TYR A1050 -11.039 -21.825 -27.498 1.00 0.00 H +ATOM 1652 HB3 TYR A1050 -10.579 -18.829 -27.290 1.00 0.00 H +ATOM 1653 HB2 TYR A1050 -12.050 -19.635 -26.880 1.00 0.00 H +ATOM 1654 HD1 TYR A1050 -11.303 -21.455 -29.740 1.00 0.00 H +ATOM 1655 HD2 TYR A1050 -12.280 -17.412 -28.555 1.00 0.00 H +ATOM 1656 HE1 TYR A1050 -12.087 -20.981 -32.015 1.00 0.00 H +ATOM 1657 HE2 TYR A1050 -13.151 -16.981 -30.835 1.00 0.00 H +ATOM 1658 HH TYR A1050 -12.937 -19.406 -33.465 1.00 0.00 H +ATOM 1659 N ILE A1051 -8.762 -22.274 -28.495 1.00 23.69 N +ATOM 1660 CA ILE A1051 -7.497 -22.625 -29.141 1.00 23.68 C +ATOM 1661 C ILE A1051 -7.287 -21.915 -30.497 1.00 22.19 C +ATOM 1662 O ILE A1051 -6.174 -21.466 -30.768 1.00 26.24 O +ATOM 1663 CB ILE A1051 -7.380 -24.169 -29.333 1.00 26.50 C +ATOM 1664 CG1 ILE A1051 -7.588 -24.948 -28.008 1.00 28.68 C +ATOM 1665 CG2 ILE A1051 -6.076 -24.628 -30.023 1.00 27.10 C +ATOM 1666 CD1 ILE A1051 -6.648 -24.552 -26.858 1.00 30.28 C +ATOM 1667 H ILE A1051 -9.395 -23.045 -28.331 1.00 0.00 H +ATOM 1668 HA ILE A1051 -6.695 -22.299 -28.480 1.00 0.00 H +ATOM 1669 HB ILE A1051 -8.197 -24.478 -29.988 1.00 0.00 H +ATOM 1670 HG13 ILE A1051 -7.495 -26.018 -28.194 1.00 0.00 H +ATOM 1671 HG12 ILE A1051 -8.614 -24.814 -27.666 1.00 0.00 H +ATOM 1672 HG21 ILE A1051 -6.020 -25.715 -30.071 1.00 0.00 H +ATOM 1673 HG22 ILE A1051 -6.003 -24.269 -31.050 1.00 0.00 H +ATOM 1674 HG23 ILE A1051 -5.195 -24.276 -29.486 1.00 0.00 H +ATOM 1675 HD11 ILE A1051 -6.726 -25.263 -26.035 1.00 0.00 H +ATOM 1676 HD12 ILE A1051 -5.605 -24.528 -27.173 1.00 0.00 H +ATOM 1677 HD13 ILE A1051 -6.902 -23.569 -26.460 1.00 0.00 H +ATOM 1678 N GLY A1052 -8.364 -21.793 -31.290 1.00 22.06 N +ATOM 1679 CA GLY A1052 -8.375 -21.170 -32.613 1.00 21.53 C +ATOM 1680 C GLY A1052 -8.700 -19.667 -32.567 1.00 21.29 C +ATOM 1681 O GLY A1052 -9.024 -19.107 -33.614 1.00 20.61 O +ATOM 1682 H GLY A1052 -9.236 -22.207 -30.988 1.00 0.00 H +ATOM 1683 HA3 GLY A1052 -9.133 -21.671 -33.215 1.00 0.00 H +ATOM 1684 HA2 GLY A1052 -7.421 -21.317 -33.121 1.00 0.00 H +ATOM 1685 N GLY A1053 -8.645 -19.018 -31.389 1.00 20.29 N +ATOM 1686 CA GLY A1053 -8.975 -17.603 -31.207 1.00 20.22 C +ATOM 1687 C GLY A1053 -7.925 -16.670 -31.843 1.00 20.35 C +ATOM 1688 O GLY A1053 -6.771 -17.059 -32.032 1.00 20.88 O +ATOM 1689 H GLY A1053 -8.374 -19.529 -30.560 1.00 0.00 H +ATOM 1690 HA3 GLY A1053 -9.045 -17.405 -30.139 1.00 0.00 H +ATOM 1691 HA2 GLY A1053 -9.959 -17.406 -31.630 1.00 0.00 H +ATOM 1692 N MET A1054 -8.342 -15.425 -32.144 1.00 21.28 N +ATOM 1693 CA MET A1054 -7.551 -14.366 -32.794 1.00 25.64 C +ATOM 1694 C MET A1054 -6.221 -14.003 -32.106 1.00 25.73 C +ATOM 1695 O MET A1054 -5.264 -13.673 -32.805 1.00 26.04 O +ATOM 1696 CB MET A1054 -8.406 -13.085 -32.915 1.00 32.01 C +ATOM 1697 CG MET A1054 -9.397 -13.092 -34.087 1.00 38.32 C +ATOM 1698 SD MET A1054 -10.570 -11.706 -34.084 1.00 46.17 S +ATOM 1699 CE MET A1054 -9.431 -10.299 -34.213 1.00 48.50 C +ATOM 1700 H MET A1054 -9.309 -15.189 -31.964 1.00 0.00 H +ATOM 1701 HA MET A1054 -7.297 -14.715 -33.796 1.00 0.00 H +ATOM 1702 HB3 MET A1054 -7.749 -12.225 -33.053 1.00 0.00 H +ATOM 1703 HB2 MET A1054 -8.936 -12.896 -31.979 1.00 0.00 H +ATOM 1704 HG3 MET A1054 -9.969 -14.017 -34.089 1.00 0.00 H +ATOM 1705 HG2 MET A1054 -8.849 -13.073 -35.030 1.00 0.00 H +ATOM 1706 HE1 MET A1054 -9.985 -9.371 -34.338 1.00 0.00 H +ATOM 1707 HE2 MET A1054 -8.825 -10.206 -33.312 1.00 0.00 H +ATOM 1708 HE3 MET A1054 -8.769 -10.422 -35.070 1.00 0.00 H +ATOM 1709 N PHE A1055 -6.196 -14.051 -30.766 1.00 23.31 N +ATOM 1710 CA PHE A1055 -5.057 -13.658 -29.933 1.00 24.22 C +ATOM 1711 C PHE A1055 -4.339 -14.895 -29.353 1.00 25.48 C +ATOM 1712 O PHE A1055 -3.708 -14.791 -28.301 1.00 29.74 O +ATOM 1713 CB PHE A1055 -5.555 -12.694 -28.832 1.00 24.85 C +ATOM 1714 CG PHE A1055 -6.385 -11.524 -29.344 1.00 26.12 C +ATOM 1715 CD1 PHE A1055 -5.817 -10.576 -30.221 1.00 27.92 C +ATOM 1716 CD2 PHE A1055 -7.757 -11.429 -29.029 1.00 27.26 C +ATOM 1717 CE1 PHE A1055 -6.608 -9.569 -30.759 1.00 28.18 C +ATOM 1718 CE2 PHE A1055 -8.528 -10.409 -29.569 1.00 29.31 C +ATOM 1719 CZ PHE A1055 -7.955 -9.486 -30.434 1.00 28.07 C +ATOM 1720 H PHE A1055 -7.021 -14.354 -30.264 1.00 0.00 H +ATOM 1721 HA PHE A1055 -4.318 -13.125 -30.534 1.00 0.00 H +ATOM 1722 HB3 PHE A1055 -4.696 -12.287 -28.296 1.00 0.00 H +ATOM 1723 HB2 PHE A1055 -6.133 -13.246 -28.092 1.00 0.00 H +ATOM 1724 HD1 PHE A1055 -4.775 -10.644 -30.497 1.00 0.00 H +ATOM 1725 HD2 PHE A1055 -8.217 -12.152 -28.375 1.00 0.00 H +ATOM 1726 HE1 PHE A1055 -6.177 -8.855 -31.444 1.00 0.00 H +ATOM 1727 HE2 PHE A1055 -9.579 -10.342 -29.327 1.00 0.00 H +ATOM 1728 HZ PHE A1055 -8.565 -8.705 -30.861 1.00 0.00 H +ATOM 1729 N GLY A1056 -4.439 -16.042 -30.047 1.00 23.96 N +ATOM 1730 CA GLY A1056 -3.839 -17.313 -29.647 1.00 23.55 C +ATOM 1731 C GLY A1056 -4.756 -18.083 -28.686 1.00 23.49 C +ATOM 1732 O GLY A1056 -5.868 -17.652 -28.370 1.00 22.86 O +ATOM 1733 H GLY A1056 -4.986 -16.051 -30.897 1.00 0.00 H +ATOM 1734 HA3 GLY A1056 -2.865 -17.152 -29.181 1.00 0.00 H +ATOM 1735 HA2 GLY A1056 -3.667 -17.913 -30.539 1.00 0.00 H +ATOM 1736 N ALA A1057 -4.262 -19.246 -28.234 1.00 23.30 N +ATOM 1737 CA ALA A1057 -4.920 -20.122 -27.267 1.00 24.09 C +ATOM 1738 C ALA A1057 -4.913 -19.510 -25.858 1.00 22.11 C +ATOM 1739 O ALA A1057 -3.882 -19.523 -25.192 1.00 24.85 O +ATOM 1740 CB ALA A1057 -4.240 -21.500 -27.290 1.00 24.02 C +ATOM 1741 H ALA A1057 -3.355 -19.553 -28.558 1.00 0.00 H +ATOM 1742 HA ALA A1057 -5.954 -20.259 -27.579 1.00 0.00 H +ATOM 1743 HB1 ALA A1057 -4.685 -22.171 -26.554 1.00 0.00 H +ATOM 1744 HB2 ALA A1057 -4.345 -21.972 -28.267 1.00 0.00 H +ATOM 1745 HB3 ALA A1057 -3.175 -21.433 -27.075 1.00 0.00 H +ATOM 1746 N GLY A1058 -6.065 -18.982 -25.435 1.00 20.31 N +ATOM 1747 CA GLY A1058 -6.262 -18.429 -24.099 1.00 16.71 C +ATOM 1748 C GLY A1058 -7.755 -18.503 -23.777 1.00 15.06 C +ATOM 1749 O GLY A1058 -8.551 -18.931 -24.611 1.00 16.55 O +ATOM 1750 H GLY A1058 -6.874 -18.999 -26.040 1.00 0.00 H +ATOM 1751 HA3 GLY A1058 -5.913 -17.398 -24.069 1.00 0.00 H +ATOM 1752 HA2 GLY A1058 -5.704 -18.992 -23.352 1.00 0.00 H +ATOM 1753 N ILE A1059 -8.136 -18.089 -22.561 1.00 15.37 N +ATOM 1754 CA ILE A1059 -9.525 -18.076 -22.096 1.00 14.74 C +ATOM 1755 C ILE A1059 -10.084 -16.656 -22.309 1.00 13.77 C +ATOM 1756 O ILE A1059 -9.541 -15.701 -21.751 1.00 13.15 O +ATOM 1757 CB ILE A1059 -9.644 -18.457 -20.592 1.00 15.49 C +ATOM 1758 CG1 ILE A1059 -8.945 -19.806 -20.290 1.00 16.53 C +ATOM 1759 CG2 ILE A1059 -11.113 -18.504 -20.113 1.00 15.20 C +ATOM 1760 CD1 ILE A1059 -8.848 -20.143 -18.797 1.00 18.08 C +ATOM 1761 H ILE A1059 -7.445 -17.720 -21.920 1.00 0.00 H +ATOM 1762 HA ILE A1059 -10.121 -18.789 -22.665 1.00 0.00 H +ATOM 1763 HB ILE A1059 -9.133 -17.691 -20.009 1.00 0.00 H +ATOM 1764 HG13 ILE A1059 -7.932 -19.814 -20.691 1.00 0.00 H +ATOM 1765 HG12 ILE A1059 -9.470 -20.610 -20.805 1.00 0.00 H +ATOM 1766 HG21 ILE A1059 -11.163 -18.654 -19.036 1.00 0.00 H +ATOM 1767 HG22 ILE A1059 -11.659 -17.585 -20.321 1.00 0.00 H +ATOM 1768 HG23 ILE A1059 -11.658 -19.319 -20.589 1.00 0.00 H +ATOM 1769 HD11 ILE A1059 -7.911 -20.654 -18.574 1.00 0.00 H +ATOM 1770 HD12 ILE A1059 -8.891 -19.249 -18.175 1.00 0.00 H +ATOM 1771 HD13 ILE A1059 -9.660 -20.804 -18.499 1.00 0.00 H +ATOM 1772 N TYR A1060 -11.130 -16.555 -23.144 1.00 13.67 N +ATOM 1773 CA TYR A1060 -11.667 -15.292 -23.655 1.00 14.63 C +ATOM 1774 C TYR A1060 -12.842 -14.789 -22.810 1.00 14.74 C +ATOM 1775 O TYR A1060 -13.667 -15.581 -22.362 1.00 14.15 O +ATOM 1776 CB TYR A1060 -12.118 -15.473 -25.118 1.00 14.71 C +ATOM 1777 CG TYR A1060 -11.001 -15.507 -26.143 1.00 14.86 C +ATOM 1778 CD1 TYR A1060 -10.048 -16.540 -26.105 1.00 15.81 C +ATOM 1779 CD2 TYR A1060 -10.900 -14.509 -27.134 1.00 16.59 C +ATOM 1780 CE1 TYR A1060 -8.964 -16.551 -26.999 1.00 16.39 C +ATOM 1781 CE2 TYR A1060 -9.837 -14.535 -28.057 1.00 16.49 C +ATOM 1782 CZ TYR A1060 -8.851 -15.537 -27.965 1.00 16.32 C +ATOM 1783 OH TYR A1060 -7.775 -15.522 -28.796 1.00 17.99 O +ATOM 1784 H TYR A1060 -11.537 -17.396 -23.533 1.00 0.00 H +ATOM 1785 HA TYR A1060 -10.874 -14.544 -23.642 1.00 0.00 H +ATOM 1786 HB3 TYR A1060 -12.763 -14.637 -25.388 1.00 0.00 H +ATOM 1787 HB2 TYR A1060 -12.722 -16.374 -25.217 1.00 0.00 H +ATOM 1788 HD1 TYR A1060 -10.151 -17.326 -25.380 1.00 0.00 H +ATOM 1789 HD2 TYR A1060 -11.627 -13.712 -27.180 1.00 0.00 H +ATOM 1790 HE1 TYR A1060 -8.225 -17.337 -26.937 1.00 0.00 H +ATOM 1791 HE2 TYR A1060 -9.762 -13.767 -28.812 1.00 0.00 H +ATOM 1792 HH TYR A1060 -7.162 -16.247 -28.625 1.00 0.00 H +ATOM 1793 N PHE A1061 -12.896 -13.461 -22.652 1.00 13.54 N +ATOM 1794 CA PHE A1061 -13.894 -12.720 -21.888 1.00 13.68 C +ATOM 1795 C PHE A1061 -14.362 -11.502 -22.700 1.00 13.83 C +ATOM 1796 O PHE A1061 -13.631 -11.036 -23.577 1.00 14.57 O +ATOM 1797 CB PHE A1061 -13.270 -12.277 -20.547 1.00 13.90 C +ATOM 1798 CG PHE A1061 -12.936 -13.403 -19.586 1.00 13.29 C +ATOM 1799 CD1 PHE A1061 -11.689 -14.058 -19.662 1.00 14.07 C +ATOM 1800 CD2 PHE A1061 -13.932 -13.926 -18.735 1.00 13.08 C +ATOM 1801 CE1 PHE A1061 -11.447 -15.178 -18.880 1.00 13.42 C +ATOM 1802 CE2 PHE A1061 -13.659 -15.041 -17.954 1.00 13.24 C +ATOM 1803 CZ PHE A1061 -12.423 -15.665 -18.025 1.00 13.55 C +ATOM 1804 H PHE A1061 -12.169 -12.892 -23.069 1.00 0.00 H +ATOM 1805 HA PHE A1061 -14.764 -13.351 -21.700 1.00 0.00 H +ATOM 1806 HB3 PHE A1061 -13.957 -11.610 -20.034 1.00 0.00 H +ATOM 1807 HB2 PHE A1061 -12.365 -11.695 -20.731 1.00 0.00 H +ATOM 1808 HD1 PHE A1061 -10.929 -13.709 -20.346 1.00 0.00 H +ATOM 1809 HD2 PHE A1061 -14.908 -13.465 -18.691 1.00 0.00 H +ATOM 1810 HE1 PHE A1061 -10.508 -15.697 -18.954 1.00 0.00 H +ATOM 1811 HE2 PHE A1061 -14.417 -15.444 -17.305 1.00 0.00 H +ATOM 1812 HZ PHE A1061 -12.227 -16.544 -17.428 1.00 0.00 H +ATOM 1813 N ALA A1062 -15.567 -11.002 -22.386 1.00 12.53 N +ATOM 1814 CA ALA A1062 -16.176 -9.850 -23.051 1.00 12.75 C +ATOM 1815 C ALA A1062 -16.770 -8.872 -22.036 1.00 13.00 C +ATOM 1816 O ALA A1062 -17.301 -9.297 -21.011 1.00 12.70 O +ATOM 1817 CB ALA A1062 -17.301 -10.339 -23.972 1.00 13.40 C +ATOM 1818 H ALA A1062 -16.114 -11.430 -21.650 1.00 0.00 H +ATOM 1819 HA ALA A1062 -15.440 -9.311 -23.650 1.00 0.00 H +ATOM 1820 HB1 ALA A1062 -17.802 -9.502 -24.455 1.00 0.00 H +ATOM 1821 HB2 ALA A1062 -16.932 -10.979 -24.765 1.00 0.00 H +ATOM 1822 HB3 ALA A1062 -18.053 -10.899 -23.418 1.00 0.00 H +ATOM 1823 N GLU A1063 -16.751 -7.579 -22.398 1.00 13.09 N +ATOM 1824 CA GLU A1063 -17.578 -6.552 -21.765 1.00 14.00 C +ATOM 1825 C GLU A1063 -19.045 -6.651 -22.215 1.00 14.56 C +ATOM 1826 O GLU A1063 -19.929 -6.419 -21.392 1.00 14.42 O +ATOM 1827 CB GLU A1063 -17.011 -5.150 -22.054 1.00 14.56 C +ATOM 1828 CG GLU A1063 -15.706 -4.876 -21.292 1.00 16.15 C +ATOM 1829 CD GLU A1063 -15.056 -3.521 -21.588 1.00 18.22 C +ATOM 1830 OE1 GLU A1063 -15.632 -2.725 -22.358 1.00 19.83 O +ATOM 1831 OE2 GLU A1063 -13.961 -3.289 -21.030 1.00 18.21 O1- +ATOM 1832 H GLU A1063 -16.270 -7.303 -23.243 1.00 0.00 H +ATOM 1833 HA GLU A1063 -17.553 -6.718 -20.688 1.00 0.00 H +ATOM 1834 HB3 GLU A1063 -17.746 -4.384 -21.802 1.00 0.00 H +ATOM 1835 HB2 GLU A1063 -16.824 -5.067 -23.124 1.00 0.00 H +ATOM 1836 HG3 GLU A1063 -14.999 -5.662 -21.538 1.00 0.00 H +ATOM 1837 HG2 GLU A1063 -15.885 -4.938 -20.218 1.00 0.00 H +ATOM 1838 N ASN A1064 -19.268 -7.027 -23.488 1.00 13.57 N +ATOM 1839 CA ASN A1064 -20.584 -7.345 -24.038 1.00 13.33 C +ATOM 1840 C ASN A1064 -21.018 -8.746 -23.597 1.00 12.97 C +ATOM 1841 O ASN A1064 -20.386 -9.731 -23.979 1.00 13.37 O +ATOM 1842 CB ASN A1064 -20.572 -7.251 -25.582 1.00 13.36 C +ATOM 1843 CG ASN A1064 -20.405 -5.834 -26.129 1.00 14.15 C +ATOM 1844 ND2 ASN A1064 -21.352 -4.942 -25.832 1.00 13.91 N +ATOM 1845 OD1 ASN A1064 -19.449 -5.557 -26.849 1.00 13.99 O +ATOM 1846 H ASN A1064 -18.480 -7.187 -24.103 1.00 0.00 H +ATOM 1847 HA ASN A1064 -21.277 -6.605 -23.653 1.00 0.00 H +ATOM 1848 HB3 ASN A1064 -21.509 -7.638 -25.985 1.00 0.00 H +ATOM 1849 HB2 ASN A1064 -19.781 -7.878 -25.990 1.00 0.00 H +ATOM 1850 HD22 ASN A1064 -21.281 -3.992 -26.168 1.00 0.00 H +ATOM 1851 HD21 ASN A1064 -22.144 -5.207 -25.259 1.00 0.00 H +ATOM 1852 N SER A1065 -22.142 -8.810 -22.871 1.00 12.43 N +ATOM 1853 CA SER A1065 -22.863 -10.048 -22.565 1.00 12.99 C +ATOM 1854 C SER A1065 -23.342 -10.786 -23.832 1.00 12.59 C +ATOM 1855 O SER A1065 -23.306 -12.013 -23.871 1.00 11.96 O +ATOM 1856 CB SER A1065 -24.038 -9.700 -21.637 1.00 12.25 C +ATOM 1857 OG SER A1065 -25.017 -8.943 -22.323 1.00 12.84 O +ATOM 1858 H SER A1065 -22.594 -7.955 -22.569 1.00 0.00 H +ATOM 1859 HA SER A1065 -22.179 -10.707 -22.029 1.00 0.00 H +ATOM 1860 HB3 SER A1065 -23.699 -9.148 -20.760 1.00 0.00 H +ATOM 1861 HB2 SER A1065 -24.501 -10.617 -21.275 1.00 0.00 H +ATOM 1862 HG SER A1065 -25.565 -8.488 -21.673 1.00 0.00 H +ATOM 1863 N SER A1066 -23.751 -10.005 -24.845 1.00 13.75 N +ATOM 1864 CA SER A1066 -24.178 -10.465 -26.161 1.00 13.31 C +ATOM 1865 C SER A1066 -23.039 -11.042 -27.022 1.00 13.16 C +ATOM 1866 O SER A1066 -23.330 -11.870 -27.881 1.00 13.00 O +ATOM 1867 CB SER A1066 -24.952 -9.333 -26.860 1.00 14.29 C +ATOM 1868 OG SER A1066 -24.144 -8.190 -27.059 1.00 14.63 O +ATOM 1869 H SER A1066 -23.760 -9.006 -24.699 1.00 0.00 H +ATOM 1870 HA SER A1066 -24.891 -11.273 -25.999 1.00 0.00 H +ATOM 1871 HB3 SER A1066 -25.831 -9.062 -26.276 1.00 0.00 H +ATOM 1872 HB2 SER A1066 -25.320 -9.666 -27.832 1.00 0.00 H +ATOM 1873 HG SER A1066 -24.005 -7.754 -26.215 1.00 0.00 H +ATOM 1874 N LYS A1067 -21.774 -10.653 -26.771 1.00 12.29 N +ATOM 1875 CA LYS A1067 -20.611 -11.283 -27.405 1.00 13.13 C +ATOM 1876 C LYS A1067 -20.335 -12.676 -26.815 1.00 13.75 C +ATOM 1877 O LYS A1067 -20.074 -13.600 -27.581 1.00 13.52 O +ATOM 1878 CB LYS A1067 -19.380 -10.348 -27.347 1.00 14.19 C +ATOM 1879 CG LYS A1067 -18.074 -10.908 -27.954 1.00 15.96 C +ATOM 1880 CD LYS A1067 -18.180 -11.258 -29.448 1.00 17.62 C +ATOM 1881 CE LYS A1067 -16.920 -11.934 -30.006 1.00 20.36 C +ATOM 1882 NZ LYS A1067 -17.115 -12.345 -31.405 1.00 20.73 N1+ +ATOM 1883 H LYS A1067 -21.584 -9.979 -26.043 1.00 0.00 H +ATOM 1884 HA LYS A1067 -20.861 -11.433 -28.455 1.00 0.00 H +ATOM 1885 HB3 LYS A1067 -19.179 -10.094 -26.308 1.00 0.00 H +ATOM 1886 HB2 LYS A1067 -19.624 -9.409 -27.847 1.00 0.00 H +ATOM 1887 HG3 LYS A1067 -17.758 -11.788 -27.394 1.00 0.00 H +ATOM 1888 HG2 LYS A1067 -17.279 -10.175 -27.814 1.00 0.00 H +ATOM 1889 HD3 LYS A1067 -18.390 -10.351 -30.016 1.00 0.00 H +ATOM 1890 HD2 LYS A1067 -19.027 -11.920 -29.609 1.00 0.00 H +ATOM 1891 HE3 LYS A1067 -16.669 -12.814 -29.417 1.00 0.00 H +ATOM 1892 HE2 LYS A1067 -16.062 -11.269 -29.952 1.00 0.00 H +ATOM 1893 HZ1 LYS A1067 -17.921 -12.952 -31.466 1.00 0.00 H +ATOM 1894 HZ2 LYS A1067 -17.262 -11.526 -31.977 1.00 0.00 H +ATOM 1895 HZ3 LYS A1067 -16.295 -12.842 -31.726 1.00 0.00 H +ATOM 1896 N SER A1068 -20.444 -12.807 -25.482 1.00 13.21 N +ATOM 1897 CA SER A1068 -20.319 -14.074 -24.758 1.00 13.11 C +ATOM 1898 C SER A1068 -21.454 -15.073 -25.060 1.00 12.94 C +ATOM 1899 O SER A1068 -21.191 -16.274 -25.097 1.00 13.12 O +ATOM 1900 CB SER A1068 -20.221 -13.785 -23.250 1.00 12.86 C +ATOM 1901 OG SER A1068 -18.913 -13.366 -22.928 1.00 13.75 O +ATOM 1902 H SER A1068 -20.645 -11.994 -24.917 1.00 0.00 H +ATOM 1903 HA SER A1068 -19.393 -14.557 -25.080 1.00 0.00 H +ATOM 1904 HB3 SER A1068 -20.428 -14.678 -22.664 1.00 0.00 H +ATOM 1905 HB2 SER A1068 -20.939 -13.026 -22.936 1.00 0.00 H +ATOM 1906 HG SER A1068 -18.312 -14.107 -23.053 1.00 0.00 H +ATOM 1907 N ASN A1069 -22.676 -14.561 -25.304 1.00 13.00 N +ATOM 1908 CA ASN A1069 -23.884 -15.318 -25.662 1.00 13.08 C +ATOM 1909 C ASN A1069 -23.726 -16.152 -26.956 1.00 14.04 C +ATOM 1910 O ASN A1069 -24.366 -17.199 -27.065 1.00 14.57 O +ATOM 1911 CB ASN A1069 -25.068 -14.321 -25.711 1.00 13.70 C +ATOM 1912 CG ASN A1069 -26.393 -14.903 -26.217 1.00 14.46 C +ATOM 1913 ND2 ASN A1069 -26.785 -14.527 -27.431 1.00 13.44 N +ATOM 1914 OD1 ASN A1069 -27.049 -15.687 -25.536 1.00 14.58 O +ATOM 1915 H ASN A1069 -22.801 -13.561 -25.225 1.00 0.00 H +ATOM 1916 HA ASN A1069 -24.057 -15.987 -24.819 1.00 0.00 H +ATOM 1917 HB3 ASN A1069 -24.800 -13.490 -26.361 1.00 0.00 H +ATOM 1918 HB2 ASN A1069 -25.237 -13.894 -24.721 1.00 0.00 H +ATOM 1919 HD22 ASN A1069 -27.647 -14.879 -27.826 1.00 0.00 H +ATOM 1920 HD21 ASN A1069 -26.230 -13.882 -27.981 1.00 0.00 H +ATOM 1921 N GLN A1070 -22.853 -15.710 -27.880 1.00 13.46 N +ATOM 1922 CA GLN A1070 -22.489 -16.433 -29.103 1.00 15.06 C +ATOM 1923 C GLN A1070 -21.785 -17.784 -28.857 1.00 16.29 C +ATOM 1924 O GLN A1070 -21.778 -18.608 -29.770 1.00 18.12 O +ATOM 1925 CB GLN A1070 -21.577 -15.552 -29.982 1.00 15.62 C +ATOM 1926 CG GLN A1070 -22.200 -14.232 -30.468 1.00 15.99 C +ATOM 1927 CD GLN A1070 -21.311 -13.537 -31.506 1.00 17.75 C +ATOM 1928 NE2 GLN A1070 -21.918 -13.002 -32.565 1.00 15.88 N +ATOM 1929 OE1 GLN A1070 -20.091 -13.480 -31.361 1.00 20.25 O +ATOM 1930 H GLN A1070 -22.357 -14.845 -27.716 1.00 0.00 H +ATOM 1931 HA GLN A1070 -23.408 -16.641 -29.654 1.00 0.00 H +ATOM 1932 HB3 GLN A1070 -21.287 -16.124 -30.862 1.00 0.00 H +ATOM 1933 HB2 GLN A1070 -20.650 -15.340 -29.450 1.00 0.00 H +ATOM 1934 HG3 GLN A1070 -22.349 -13.553 -29.631 1.00 0.00 H +ATOM 1935 HG2 GLN A1070 -23.183 -14.424 -30.899 1.00 0.00 H +ATOM 1936 HE22 GLN A1070 -21.385 -12.528 -33.282 1.00 0.00 H +ATOM 1937 HE21 GLN A1070 -22.922 -13.080 -32.672 1.00 0.00 H +ATOM 1938 N TYR A1071 -21.185 -17.976 -27.668 1.00 14.34 N +ATOM 1939 CA TYR A1071 -20.328 -19.118 -27.331 1.00 14.94 C +ATOM 1940 C TYR A1071 -20.964 -20.097 -26.332 1.00 16.23 C +ATOM 1941 O TYR A1071 -20.307 -21.077 -25.988 1.00 16.88 O +ATOM 1942 CB TYR A1071 -18.970 -18.600 -26.816 1.00 15.64 C +ATOM 1943 CG TYR A1071 -18.216 -17.779 -27.844 1.00 15.28 C +ATOM 1944 CD1 TYR A1071 -17.362 -18.403 -28.777 1.00 16.16 C +ATOM 1945 CD2 TYR A1071 -18.391 -16.383 -27.881 1.00 16.25 C +ATOM 1946 CE1 TYR A1071 -16.693 -17.630 -29.749 1.00 16.81 C +ATOM 1947 CE2 TYR A1071 -17.748 -15.615 -28.867 1.00 17.08 C +ATOM 1948 CZ TYR A1071 -16.902 -16.237 -29.805 1.00 17.58 C +ATOM 1949 OH TYR A1071 -16.308 -15.487 -30.777 1.00 20.44 O +ATOM 1950 H TYR A1071 -21.243 -17.251 -26.965 1.00 0.00 H +ATOM 1951 HA TYR A1071 -20.122 -19.695 -28.229 1.00 0.00 H +ATOM 1952 HB3 TYR A1071 -18.328 -19.432 -26.521 1.00 0.00 H +ATOM 1953 HB2 TYR A1071 -19.111 -18.000 -25.916 1.00 0.00 H +ATOM 1954 HD1 TYR A1071 -17.220 -19.473 -28.751 1.00 0.00 H +ATOM 1955 HD2 TYR A1071 -19.041 -15.905 -27.164 1.00 0.00 H +ATOM 1956 HE1 TYR A1071 -16.041 -18.115 -30.461 1.00 0.00 H +ATOM 1957 HE2 TYR A1071 -17.919 -14.552 -28.902 1.00 0.00 H +ATOM 1958 HH TYR A1071 -15.868 -16.024 -31.446 1.00 0.00 H +ATOM 1959 N VAL A1072 -22.216 -19.856 -25.902 1.00 15.99 N +ATOM 1960 CA AVAL A1072 -22.979 -20.718 -24.987 0.50 17.10 C +ATOM 1961 CA BVAL A1072 -22.957 -20.655 -25.004 0.50 17.28 C +ATOM 1962 C VAL A1072 -23.168 -22.159 -25.511 1.00 17.17 C +ATOM 1963 O VAL A1072 -23.005 -23.106 -24.742 1.00 17.55 O +ATOM 1964 CB AVAL A1072 -24.369 -20.090 -24.665 0.50 16.75 C +ATOM 1965 CB BVAL A1072 -24.200 -20.041 -24.323 0.50 16.90 C +ATOM 1966 CG1AVAL A1072 -25.384 -21.015 -23.958 0.50 17.08 C +ATOM 1967 CG1BVAL A1072 -23.803 -18.772 -23.576 0.50 16.42 C +ATOM 1968 CG2AVAL A1072 -24.187 -18.811 -23.834 0.50 16.27 C +ATOM 1969 CG2BVAL A1072 -25.338 -19.771 -25.300 0.50 17.29 C +ATOM 1970 H VAL A1072 -22.700 -19.037 -26.240 1.00 0.00 H +ATOM 1971 HA AVAL A1072 -22.408 -20.786 -24.058 0.50 0.00 H +ATOM 1972 HA BVAL A1072 -22.228 -20.802 -24.207 0.50 0.00 H +ATOM 1973 HB AVAL A1072 -24.829 -19.788 -25.607 0.50 0.00 H +ATOM 1974 HB BVAL A1072 -24.561 -20.759 -23.586 0.50 0.00 H +ATOM 1975 HG11AVAL A1072 -26.283 -20.468 -23.676 0.50 0.00 H +ATOM 1976 HG11BVAL A1072 -24.682 -18.342 -23.097 0.50 0.00 H +ATOM 1977 HG12AVAL A1072 -25.711 -21.836 -24.595 0.50 0.00 H +ATOM 1978 HG12BVAL A1072 -23.059 -19.014 -22.818 0.50 0.00 H +ATOM 1979 HG13AVAL A1072 -24.958 -21.438 -23.048 0.50 0.00 H +ATOM 1980 HG13BVAL A1072 -23.384 -18.052 -24.279 0.50 0.00 H +ATOM 1981 HG21AVAL A1072 -25.137 -18.307 -23.663 0.50 0.00 H +ATOM 1982 HG21BVAL A1072 -26.183 -19.340 -24.764 0.50 0.00 H +ATOM 1983 HG22AVAL A1072 -23.751 -19.043 -22.864 0.50 0.00 H +ATOM 1984 HG22BVAL A1072 -25.001 -19.074 -26.067 0.50 0.00 H +ATOM 1985 HG23AVAL A1072 -23.520 -18.105 -24.326 0.50 0.00 H +ATOM 1986 HG23BVAL A1072 -25.644 -20.706 -25.769 0.50 0.00 H +ATOM 1987 N TYR A1073 -23.454 -22.289 -26.816 1.00 17.26 N +ATOM 1988 CA TYR A1073 -23.626 -23.562 -27.515 1.00 19.39 C +ATOM 1989 C TYR A1073 -22.401 -23.923 -28.382 1.00 21.33 C +ATOM 1990 O TYR A1073 -22.543 -24.711 -29.316 1.00 23.44 O +ATOM 1991 CB TYR A1073 -24.943 -23.509 -28.322 1.00 18.91 C +ATOM 1992 CG TYR A1073 -26.210 -23.327 -27.500 1.00 19.51 C +ATOM 1993 CD1 TYR A1073 -26.486 -24.182 -26.411 1.00 20.12 C +ATOM 1994 CD2 TYR A1073 -27.134 -22.316 -27.835 1.00 18.45 C +ATOM 1995 CE1 TYR A1073 -27.666 -24.019 -25.661 1.00 18.52 C +ATOM 1996 CE2 TYR A1073 -28.319 -22.155 -27.091 1.00 19.12 C +ATOM 1997 CZ TYR A1073 -28.588 -23.012 -26.006 1.00 19.11 C +ATOM 1998 OH TYR A1073 -29.747 -22.884 -25.299 1.00 20.53 O +ATOM 1999 H TYR A1073 -23.578 -21.457 -27.379 1.00 0.00 H +ATOM 2000 HA TYR A1073 -23.707 -24.376 -26.795 1.00 0.00 H +ATOM 2001 HB3 TYR A1073 -25.070 -24.427 -28.893 1.00 0.00 H +ATOM 2002 HB2 TYR A1073 -24.882 -22.702 -29.052 1.00 0.00 H +ATOM 2003 HD1 TYR A1073 -25.800 -24.973 -26.146 1.00 0.00 H +ATOM 2004 HD2 TYR A1073 -26.943 -21.667 -28.675 1.00 0.00 H +ATOM 2005 HE1 TYR A1073 -27.867 -24.681 -24.832 1.00 0.00 H +ATOM 2006 HE2 TYR A1073 -29.025 -21.384 -27.363 1.00 0.00 H +ATOM 2007 HH TYR A1073 -29.853 -23.578 -24.637 1.00 0.00 H +ATOM 2008 N GLY A1074 -21.218 -23.382 -28.042 1.00 19.00 N +ATOM 2009 CA GLY A1074 -19.955 -23.645 -28.732 1.00 19.51 C +ATOM 2010 C GLY A1074 -19.613 -22.508 -29.703 1.00 17.76 C +ATOM 2011 O GLY A1074 -20.375 -21.556 -29.870 1.00 18.84 O +ATOM 2012 H GLY A1074 -21.182 -22.740 -27.262 1.00 0.00 H +ATOM 2013 HA3 GLY A1074 -19.979 -24.593 -29.272 1.00 0.00 H +ATOM 2014 HA2 GLY A1074 -19.160 -23.725 -27.992 1.00 0.00 H +ATOM 2015 N ILE A1075 -18.434 -22.625 -30.336 1.00 19.28 N +ATOM 2016 CA ILE A1075 -17.868 -21.668 -31.294 1.00 20.26 C +ATOM 2017 C ILE A1075 -18.749 -21.552 -32.556 1.00 20.64 C +ATOM 2018 O ILE A1075 -19.123 -22.572 -33.138 1.00 19.32 O +ATOM 2019 CB ILE A1075 -16.425 -22.079 -31.723 1.00 22.39 C +ATOM 2020 CG1 ILE A1075 -15.463 -22.153 -30.513 1.00 24.92 C +ATOM 2021 CG2 ILE A1075 -15.802 -21.174 -32.812 1.00 23.35 C +ATOM 2022 CD1 ILE A1075 -14.276 -23.102 -30.732 1.00 25.38 C +ATOM 2023 H ILE A1075 -17.862 -23.439 -30.150 1.00 0.00 H +ATOM 2024 HA ILE A1075 -17.823 -20.694 -30.802 1.00 0.00 H +ATOM 2025 HB ILE A1075 -16.492 -23.085 -32.143 1.00 0.00 H +ATOM 2026 HG13 ILE A1075 -15.984 -22.495 -29.619 1.00 0.00 H +ATOM 2027 HG12 ILE A1075 -15.101 -21.153 -30.272 1.00 0.00 H +ATOM 2028 HG21 ILE A1075 -14.784 -21.478 -33.049 1.00 0.00 H +ATOM 2029 HG22 ILE A1075 -16.353 -21.206 -33.751 1.00 0.00 H +ATOM 2030 HG23 ILE A1075 -15.765 -20.134 -32.484 1.00 0.00 H +ATOM 2031 HD11 ILE A1075 -13.648 -23.153 -29.843 1.00 0.00 H +ATOM 2032 HD12 ILE A1075 -14.616 -24.114 -30.951 1.00 0.00 H +ATOM 2033 HD13 ILE A1075 -13.645 -22.777 -31.558 1.00 0.00 H +ATOM 2034 N GLY A1076 -19.079 -20.306 -32.930 1.00 20.45 N +ATOM 2035 CA GLY A1076 -20.014 -19.974 -34.006 1.00 22.03 C +ATOM 2036 C GLY A1076 -21.482 -20.218 -33.606 1.00 21.44 C +ATOM 2037 O GLY A1076 -22.347 -20.197 -34.480 1.00 20.31 O +ATOM 2038 H GLY A1076 -18.738 -19.524 -32.385 1.00 0.00 H +ATOM 2039 HA3 GLY A1076 -19.779 -20.553 -34.900 1.00 0.00 H +ATOM 2040 HA2 GLY A1076 -19.889 -18.922 -34.263 1.00 0.00 H +ATOM 2041 N GLY A1077 -21.759 -20.482 -32.316 1.00 20.42 N +ATOM 2042 CA GLY A1077 -23.054 -20.921 -31.799 1.00 21.17 C +ATOM 2043 C GLY A1077 -23.246 -22.439 -31.929 1.00 21.18 C +ATOM 2044 O GLY A1077 -24.299 -22.934 -31.531 1.00 21.15 O +ATOM 2045 H GLY A1077 -21.004 -20.471 -31.644 1.00 0.00 H +ATOM 2046 HA3 GLY A1077 -23.866 -20.422 -32.324 1.00 0.00 H +ATOM 2047 HA2 GLY A1077 -23.133 -20.648 -30.747 1.00 0.00 H +ATOM 2048 N GLY A1078 -22.264 -23.173 -32.492 1.00 21.79 N +ATOM 2049 CA GLY A1078 -22.331 -24.604 -32.795 1.00 23.44 C +ATOM 2050 C GLY A1078 -23.510 -24.904 -33.730 1.00 22.96 C +ATOM 2051 O GLY A1078 -23.721 -24.198 -34.716 1.00 23.78 O +ATOM 2052 H GLY A1078 -21.417 -22.699 -32.775 1.00 0.00 H +ATOM 2053 HA3 GLY A1078 -22.408 -25.177 -31.871 1.00 0.00 H +ATOM 2054 HA2 GLY A1078 -21.404 -24.904 -33.283 1.00 0.00 H +ATOM 2055 N THR A1079 -24.280 -25.947 -33.392 1.00 25.32 N +ATOM 2056 CA THR A1079 -25.541 -26.310 -34.043 1.00 26.76 C +ATOM 2057 C THR A1079 -26.763 -25.850 -33.206 1.00 26.25 C +ATOM 2058 O THR A1079 -27.849 -26.400 -33.382 1.00 26.87 O +ATOM 2059 CB THR A1079 -25.614 -27.843 -34.300 1.00 26.77 C +ATOM 2060 CG2 THR A1079 -24.430 -28.380 -35.118 1.00 28.43 C +ATOM 2061 OG1 THR A1079 -25.720 -28.592 -33.104 1.00 27.86 O +ATOM 2062 H THR A1079 -24.050 -26.490 -32.570 1.00 0.00 H +ATOM 2063 HA THR A1079 -25.625 -25.811 -35.010 1.00 0.00 H +ATOM 2064 HB THR A1079 -26.515 -28.053 -34.877 1.00 0.00 H +ATOM 2065 HG21 THR A1079 -24.559 -29.440 -35.338 1.00 0.00 H +ATOM 2066 HG22 THR A1079 -24.342 -27.853 -36.068 1.00 0.00 H +ATOM 2067 HG23 THR A1079 -23.485 -28.268 -34.586 1.00 0.00 H +ATOM 2068 HG1 THR A1079 -26.537 -28.349 -32.660 1.00 0.00 H +ATOM 2069 N GLY A1080 -26.583 -24.839 -32.336 1.00 22.31 N +ATOM 2070 CA GLY A1080 -27.650 -24.251 -31.526 1.00 22.14 C +ATOM 2071 C GLY A1080 -27.953 -25.093 -30.288 1.00 20.14 C +ATOM 2072 O GLY A1080 -27.105 -25.851 -29.817 1.00 21.07 O +ATOM 2073 H GLY A1080 -25.662 -24.435 -32.229 1.00 0.00 H +ATOM 2074 HA3 GLY A1080 -28.546 -24.134 -32.133 1.00 0.00 H +ATOM 2075 HA2 GLY A1080 -27.347 -23.262 -31.188 1.00 0.00 H +ATOM 2076 N CYS A1081 -29.165 -24.913 -29.739 1.00 21.83 N +ATOM 2077 CA CYS A1081 -29.654 -25.597 -28.540 1.00 21.71 C +ATOM 2078 C CYS A1081 -29.762 -27.133 -28.734 1.00 23.62 C +ATOM 2079 O CYS A1081 -30.040 -27.567 -29.854 1.00 21.89 O +ATOM 2080 CB CYS A1081 -30.997 -24.995 -28.074 1.00 21.55 C +ATOM 2081 SG CYS A1081 -32.429 -25.226 -29.207 1.00 22.37 S1- +ATOM 2082 H CYS A1081 -29.817 -24.264 -30.160 1.00 0.00 H +ATOM 2083 HA CYS A1081 -28.912 -25.365 -27.782 1.00 0.00 H +ATOM 2084 HB3 CYS A1081 -30.853 -23.928 -27.896 1.00 0.00 H +ATOM 2085 HB2 CYS A1081 -31.240 -25.399 -27.089 1.00 0.00 H +ATOM 2086 N PRO A1082 -29.574 -27.936 -27.659 1.00 26.11 N +ATOM 2087 CA PRO A1082 -29.735 -29.404 -27.732 1.00 28.77 C +ATOM 2088 C PRO A1082 -31.118 -29.942 -28.151 1.00 27.89 C +ATOM 2089 O PRO A1082 -31.180 -31.084 -28.606 1.00 29.61 O +ATOM 2090 CB PRO A1082 -29.384 -29.891 -26.314 1.00 29.72 C +ATOM 2091 CG PRO A1082 -28.517 -28.797 -25.726 1.00 29.64 C +ATOM 2092 CD PRO A1082 -29.097 -27.529 -26.334 1.00 26.95 C +ATOM 2093 HA PRO A1082 -28.984 -29.777 -28.431 1.00 0.00 H +ATOM 2094 HB3 PRO A1082 -28.882 -30.860 -26.316 1.00 0.00 H +ATOM 2095 HB2 PRO A1082 -30.286 -29.991 -25.705 1.00 0.00 H +ATOM 2096 HG3 PRO A1082 -27.490 -28.925 -26.071 1.00 0.00 H +ATOM 2097 HG2 PRO A1082 -28.509 -28.791 -24.636 1.00 0.00 H +ATOM 2098 HD2 PRO A1082 -29.942 -27.162 -25.749 1.00 0.00 H +ATOM 2099 HD3 PRO A1082 -28.325 -26.763 -26.347 1.00 0.00 H +ATOM 2100 N VAL A1083 -32.188 -29.151 -27.964 1.00 27.21 N +ATOM 2101 CA VAL A1083 -33.570 -29.609 -28.127 1.00 28.20 C +ATOM 2102 C VAL A1083 -34.121 -29.339 -29.541 1.00 28.78 C +ATOM 2103 O VAL A1083 -34.744 -30.239 -30.104 1.00 31.08 O +ATOM 2104 CB VAL A1083 -34.513 -28.941 -27.083 1.00 28.73 C +ATOM 2105 CG1 VAL A1083 -36.000 -29.338 -27.212 1.00 30.59 C +ATOM 2106 CG2 VAL A1083 -34.043 -29.225 -25.644 1.00 28.36 C +ATOM 2107 H VAL A1083 -32.064 -28.218 -27.597 1.00 0.00 H +ATOM 2108 HA VAL A1083 -33.615 -30.688 -27.959 1.00 0.00 H +ATOM 2109 HB VAL A1083 -34.460 -27.862 -27.229 1.00 0.00 H +ATOM 2110 HG11 VAL A1083 -36.596 -28.876 -26.425 1.00 0.00 H +ATOM 2111 HG12 VAL A1083 -36.436 -29.022 -28.158 1.00 0.00 H +ATOM 2112 HG13 VAL A1083 -36.127 -30.417 -27.132 1.00 0.00 H +ATOM 2113 HG21 VAL A1083 -34.688 -28.733 -24.915 1.00 0.00 H +ATOM 2114 HG22 VAL A1083 -34.050 -30.294 -25.430 1.00 0.00 H +ATOM 2115 HG23 VAL A1083 -33.031 -28.859 -25.475 1.00 0.00 H +ATOM 2116 N HIS A1084 -33.900 -28.125 -30.080 1.00 25.21 N +ATOM 2117 CA HIS A1084 -34.493 -27.662 -31.344 1.00 24.24 C +ATOM 2118 C HIS A1084 -33.460 -27.430 -32.461 1.00 23.15 C +ATOM 2119 O HIS A1084 -33.878 -27.211 -33.597 1.00 23.54 O +ATOM 2120 CB HIS A1084 -35.314 -26.371 -31.113 1.00 24.10 C +ATOM 2121 CG HIS A1084 -36.295 -26.398 -29.965 1.00 25.66 C +ATOM 2122 CD2 HIS A1084 -37.595 -26.859 -29.950 1.00 24.12 C +ATOM 2123 ND1 HIS A1084 -35.986 -25.897 -28.699 1.00 23.24 N +ATOM 2124 CE1 HIS A1084 -37.083 -26.070 -27.976 1.00 25.08 C +ATOM 2125 NE2 HIS A1084 -38.072 -26.633 -28.670 1.00 24.90 N +ATOM 2126 H HIS A1084 -33.345 -27.445 -29.577 1.00 0.00 H +ATOM 2127 HA HIS A1084 -35.184 -28.417 -31.720 1.00 0.00 H +ATOM 2128 HB3 HIS A1084 -35.882 -26.137 -32.015 1.00 0.00 H +ATOM 2129 HB2 HIS A1084 -34.649 -25.521 -30.965 1.00 0.00 H +ATOM 2130 HD2 HIS A1084 -38.199 -27.306 -30.725 1.00 0.00 H +ATOM 2131 HE1 HIS A1084 -37.171 -25.780 -26.938 1.00 0.00 H +ATOM 2132 HE2 HIS A1084 -39.002 -26.842 -28.325 1.00 0.00 H +ATOM 2133 N LYS A1085 -32.153 -27.469 -32.136 1.00 24.53 N +ATOM 2134 CA LYS A1085 -31.020 -27.206 -33.039 1.00 26.18 C +ATOM 2135 C LYS A1085 -31.020 -25.761 -33.580 1.00 24.51 C +ATOM 2136 O LYS A1085 -30.721 -25.546 -34.755 1.00 24.73 O +ATOM 2137 CB LYS A1085 -30.932 -28.267 -34.173 1.00 29.30 C +ATOM 2138 CG LYS A1085 -30.862 -29.726 -33.691 1.00 33.14 C +ATOM 2139 CD LYS A1085 -29.547 -30.088 -32.978 1.00 36.06 C +ATOM 2140 CE LYS A1085 -29.778 -30.972 -31.747 1.00 39.74 C +ATOM 2141 NZ LYS A1085 -28.508 -31.345 -31.106 1.00 41.15 N1+ +ATOM 2142 H LYS A1085 -31.899 -27.646 -31.175 1.00 0.00 H +ATOM 2143 HA LYS A1085 -30.125 -27.282 -32.425 1.00 0.00 H +ATOM 2144 HB3 LYS A1085 -30.061 -28.068 -34.801 1.00 0.00 H +ATOM 2145 HB2 LYS A1085 -31.795 -28.167 -34.833 1.00 0.00 H +ATOM 2146 HG3 LYS A1085 -30.990 -30.387 -34.549 1.00 0.00 H +ATOM 2147 HG2 LYS A1085 -31.716 -29.934 -33.046 1.00 0.00 H +ATOM 2148 HD3 LYS A1085 -28.995 -29.193 -32.692 1.00 0.00 H +ATOM 2149 HD2 LYS A1085 -28.901 -30.615 -33.682 1.00 0.00 H +ATOM 2150 HE3 LYS A1085 -30.316 -31.880 -32.020 1.00 0.00 H +ATOM 2151 HE2 LYS A1085 -30.392 -30.434 -31.025 1.00 0.00 H +ATOM 2152 HZ1 LYS A1085 -28.693 -31.912 -30.286 1.00 0.00 H +ATOM 2153 HZ2 LYS A1085 -27.940 -31.871 -31.754 1.00 0.00 H +ATOM 2154 HZ3 LYS A1085 -28.012 -30.505 -30.830 1.00 0.00 H +ATOM 2155 N ASP A1086 -31.381 -24.803 -32.710 1.00 21.47 N +ATOM 2156 CA ASP A1086 -31.660 -23.421 -33.080 1.00 20.75 C +ATOM 2157 C ASP A1086 -30.776 -22.481 -32.240 1.00 20.90 C +ATOM 2158 O ASP A1086 -30.879 -22.471 -31.013 1.00 19.59 O +ATOM 2159 CB ASP A1086 -33.177 -23.144 -32.943 1.00 22.36 C +ATOM 2160 CG ASP A1086 -33.647 -21.745 -33.353 1.00 23.80 C +ATOM 2161 OD1 ASP A1086 -32.877 -21.028 -34.031 1.00 24.61 O +ATOM 2162 OD2 ASP A1086 -34.814 -21.434 -33.028 1.00 25.09 O1- +ATOM 2163 H ASP A1086 -31.598 -25.055 -31.754 1.00 0.00 H +ATOM 2164 HA ASP A1086 -31.401 -23.264 -34.128 1.00 0.00 H +ATOM 2165 HB3 ASP A1086 -33.479 -23.329 -31.914 1.00 0.00 H +ATOM 2166 HB2 ASP A1086 -33.717 -23.861 -33.562 1.00 0.00 H +ATOM 2167 N ARG A1087 -29.924 -21.705 -32.935 1.00 20.57 N +ATOM 2168 CA ARG A1087 -29.067 -20.662 -32.360 1.00 18.55 C +ATOM 2169 C ARG A1087 -29.842 -19.390 -31.959 1.00 19.58 C +ATOM 2170 O ARG A1087 -29.302 -18.603 -31.183 1.00 20.13 O +ATOM 2171 CB ARG A1087 -27.926 -20.318 -33.344 1.00 18.79 C +ATOM 2172 CG ARG A1087 -26.907 -21.453 -33.556 1.00 19.91 C +ATOM 2173 CD ARG A1087 -25.760 -21.092 -34.514 1.00 21.40 C +ATOM 2174 NE ARG A1087 -26.211 -20.965 -35.905 1.00 24.49 N +ATOM 2175 CZ ARG A1087 -26.321 -21.973 -36.785 1.00 26.16 C +ATOM 2176 NH1 ARG A1087 -25.952 -23.220 -36.463 1.00 27.83 N +ATOM 2177 NH2 ARG A1087 -26.806 -21.726 -38.006 1.00 29.54 N1+ +ATOM 2178 H ARG A1087 -29.905 -21.777 -33.944 1.00 0.00 H +ATOM 2179 HA ARG A1087 -28.620 -21.065 -31.450 1.00 0.00 H +ATOM 2180 HB3 ARG A1087 -27.384 -19.448 -32.971 1.00 0.00 H +ATOM 2181 HB2 ARG A1087 -28.346 -20.022 -34.305 1.00 0.00 H +ATOM 2182 HG3 ARG A1087 -27.452 -22.296 -33.983 1.00 0.00 H +ATOM 2183 HG2 ARG A1087 -26.488 -21.800 -32.615 1.00 0.00 H +ATOM 2184 HD3 ARG A1087 -24.874 -21.713 -34.388 1.00 0.00 H +ATOM 2185 HD2 ARG A1087 -25.440 -20.086 -34.253 1.00 0.00 H +ATOM 2186 HE ARG A1087 -26.523 -20.042 -36.179 1.00 0.00 H +ATOM 2187 HH12 ARG A1087 -26.068 -23.985 -37.119 1.00 0.00 H +ATOM 2188 HH11 ARG A1087 -25.519 -23.405 -35.568 1.00 0.00 H +ATOM 2189 HH22 ARG A1087 -26.871 -22.463 -38.698 1.00 0.00 H +ATOM 2190 HH21 ARG A1087 -27.095 -20.788 -38.254 1.00 0.00 H +ATOM 2191 N SER A1088 -31.083 -19.218 -32.450 1.00 18.26 N +ATOM 2192 CA SER A1088 -31.983 -18.122 -32.084 1.00 18.44 C +ATOM 2193 C SER A1088 -33.183 -18.626 -31.262 1.00 17.43 C +ATOM 2194 O SER A1088 -34.233 -17.984 -31.281 1.00 18.66 O +ATOM 2195 CB SER A1088 -32.403 -17.354 -33.356 1.00 19.34 C +ATOM 2196 OG SER A1088 -32.987 -16.103 -33.046 1.00 19.33 O +ATOM 2197 H SER A1088 -31.472 -19.912 -33.078 1.00 0.00 H +ATOM 2198 HA SER A1088 -31.465 -17.427 -31.427 1.00 0.00 H +ATOM 2199 HB3 SER A1088 -33.103 -17.942 -33.951 1.00 0.00 H +ATOM 2200 HB2 SER A1088 -31.543 -17.162 -33.990 1.00 0.00 H +ATOM 2201 HG SER A1088 -33.820 -16.267 -32.592 1.00 0.00 H +ATOM 2202 N CYS A1089 -33.018 -19.752 -30.541 1.00 18.78 N +ATOM 2203 CA CYS A1089 -34.044 -20.318 -29.665 1.00 18.54 C +ATOM 2204 C CYS A1089 -34.372 -19.359 -28.508 1.00 19.81 C +ATOM 2205 O CYS A1089 -33.461 -18.891 -27.825 1.00 18.38 O +ATOM 2206 CB CYS A1089 -33.658 -21.712 -29.131 1.00 19.35 C +ATOM 2207 SG CYS A1089 -34.976 -22.582 -28.187 1.00 21.02 S1- +ATOM 2208 H CYS A1089 -32.144 -20.256 -30.587 1.00 0.00 H +ATOM 2209 HA CYS A1089 -34.938 -20.443 -30.280 1.00 0.00 H +ATOM 2210 HB3 CYS A1089 -32.748 -21.639 -28.535 1.00 0.00 H +ATOM 2211 HB2 CYS A1089 -33.371 -22.335 -29.975 1.00 0.00 H +ATOM 2212 N TYR A1090 -35.675 -19.118 -28.325 1.00 19.15 N +ATOM 2213 CA TYR A1090 -36.247 -18.275 -27.279 1.00 20.77 C +ATOM 2214 C TYR A1090 -36.848 -19.115 -26.133 1.00 20.97 C +ATOM 2215 O TYR A1090 -37.205 -18.543 -25.104 1.00 20.44 O +ATOM 2216 CB TYR A1090 -37.324 -17.377 -27.929 1.00 20.89 C +ATOM 2217 CG TYR A1090 -36.828 -16.530 -29.092 1.00 20.15 C +ATOM 2218 CD1 TYR A1090 -35.925 -15.478 -28.856 1.00 20.53 C +ATOM 2219 CD2 TYR A1090 -37.247 -16.793 -30.412 1.00 20.46 C +ATOM 2220 CE1 TYR A1090 -35.437 -14.698 -29.917 1.00 20.60 C +ATOM 2221 CE2 TYR A1090 -36.779 -15.998 -31.478 1.00 21.34 C +ATOM 2222 CZ TYR A1090 -35.874 -14.947 -31.231 1.00 21.42 C +ATOM 2223 OH TYR A1090 -35.424 -14.167 -32.255 1.00 21.00 O +ATOM 2224 H TYR A1090 -36.344 -19.552 -28.949 1.00 0.00 H +ATOM 2225 HA TYR A1090 -35.479 -17.634 -26.844 1.00 0.00 H +ATOM 2226 HB3 TYR A1090 -37.746 -16.704 -27.184 1.00 0.00 H +ATOM 2227 HB2 TYR A1090 -38.155 -17.992 -28.276 1.00 0.00 H +ATOM 2228 HD1 TYR A1090 -35.602 -15.262 -27.856 1.00 0.00 H +ATOM 2229 HD2 TYR A1090 -37.922 -17.610 -30.610 1.00 0.00 H +ATOM 2230 HE1 TYR A1090 -34.748 -13.895 -29.706 1.00 0.00 H +ATOM 2231 HE2 TYR A1090 -37.109 -16.202 -32.486 1.00 0.00 H +ATOM 2232 HH TYR A1090 -34.793 -13.501 -31.959 1.00 0.00 H +ATOM 2233 N ILE A1091 -36.962 -20.442 -26.328 1.00 22.18 N +ATOM 2234 CA ILE A1091 -37.598 -21.384 -25.406 1.00 23.18 C +ATOM 2235 C ILE A1091 -36.589 -21.944 -24.385 1.00 22.45 C +ATOM 2236 O ILE A1091 -36.889 -21.952 -23.192 1.00 23.76 O +ATOM 2237 CB ILE A1091 -38.243 -22.582 -26.176 1.00 25.79 C +ATOM 2238 CG1 ILE A1091 -39.334 -22.109 -27.165 1.00 28.48 C +ATOM 2239 CG2 ILE A1091 -38.805 -23.703 -25.270 1.00 26.49 C +ATOM 2240 CD1 ILE A1091 -39.561 -23.080 -28.333 1.00 30.13 C +ATOM 2241 H ILE A1091 -36.612 -20.839 -27.190 1.00 0.00 H +ATOM 2242 HA ILE A1091 -38.387 -20.867 -24.856 1.00 0.00 H +ATOM 2243 HB ILE A1091 -37.456 -23.038 -26.776 1.00 0.00 H +ATOM 2244 HG13 ILE A1091 -39.076 -21.142 -27.597 1.00 0.00 H +ATOM 2245 HG12 ILE A1091 -40.272 -21.943 -26.633 1.00 0.00 H +ATOM 2246 HG21 ILE A1091 -39.285 -24.485 -25.858 1.00 0.00 H +ATOM 2247 HG22 ILE A1091 -38.028 -24.199 -24.688 1.00 0.00 H +ATOM 2248 HG23 ILE A1091 -39.548 -23.312 -24.575 1.00 0.00 H +ATOM 2249 HD11 ILE A1091 -40.238 -22.649 -29.069 1.00 0.00 H +ATOM 2250 HD12 ILE A1091 -38.626 -23.310 -28.844 1.00 0.00 H +ATOM 2251 HD13 ILE A1091 -39.996 -24.020 -27.997 1.00 0.00 H +ATOM 2252 N CYS A1092 -35.429 -22.420 -24.872 1.00 19.95 N +ATOM 2253 CA CYS A1092 -34.415 -23.099 -24.064 1.00 20.74 C +ATOM 2254 C CYS A1092 -33.652 -22.119 -23.160 1.00 20.72 C +ATOM 2255 O CYS A1092 -33.377 -20.988 -23.564 1.00 20.27 O +ATOM 2256 CB CYS A1092 -33.442 -23.929 -24.929 1.00 21.23 C +ATOM 2257 SG CYS A1092 -34.163 -25.442 -25.673 1.00 22.39 S1- +ATOM 2258 H CYS A1092 -35.248 -22.365 -25.866 1.00 0.00 H +ATOM 2259 HA CYS A1092 -34.944 -23.796 -23.409 1.00 0.00 H +ATOM 2260 HB3 CYS A1092 -32.586 -24.233 -24.328 1.00 0.00 H +ATOM 2261 HB2 CYS A1092 -33.021 -23.300 -25.713 1.00 0.00 H +ATOM 2262 N HIS A1093 -33.314 -22.603 -21.956 1.00 19.88 N +ATOM 2263 CA HIS A1093 -32.571 -21.859 -20.946 1.00 19.32 C +ATOM 2264 C HIS A1093 -31.072 -21.887 -21.265 1.00 18.16 C +ATOM 2265 O HIS A1093 -30.483 -22.964 -21.367 1.00 21.33 O +ATOM 2266 CB HIS A1093 -32.839 -22.447 -19.546 1.00 19.67 C +ATOM 2267 CG HIS A1093 -34.272 -22.391 -19.070 1.00 20.51 C +ATOM 2268 CD2 HIS A1093 -35.439 -21.970 -19.674 1.00 21.15 C +ATOM 2269 ND1 HIS A1093 -34.644 -22.803 -17.802 1.00 22.77 N +ATOM 2270 CE1 HIS A1093 -35.964 -22.628 -17.697 1.00 20.35 C +ATOM 2271 NE2 HIS A1093 -36.514 -22.129 -18.797 1.00 23.52 N +ATOM 2272 H HIS A1093 -33.556 -23.557 -21.716 1.00 0.00 H +ATOM 2273 HA HIS A1093 -32.920 -20.823 -20.946 1.00 0.00 H +ATOM 2274 HB3 HIS A1093 -32.232 -21.918 -18.810 1.00 0.00 H +ATOM 2275 HB2 HIS A1093 -32.520 -23.491 -19.512 1.00 0.00 H +ATOM 2276 HD2 HIS A1093 -35.591 -21.567 -20.664 1.00 0.00 H +ATOM 2277 HD1 HIS A1093 -34.033 -23.172 -17.088 1.00 0.00 H +ATOM 2278 HE1 HIS A1093 -36.528 -22.867 -16.808 1.00 0.00 H +ATOM 2279 N ARG A1094 -30.499 -20.687 -21.391 1.00 16.96 N +ATOM 2280 CA ARG A1094 -29.073 -20.426 -21.552 1.00 16.50 C +ATOM 2281 C ARG A1094 -28.479 -20.019 -20.202 1.00 16.14 C +ATOM 2282 O ARG A1094 -29.215 -19.564 -19.325 1.00 16.71 O +ATOM 2283 CB ARG A1094 -28.903 -19.269 -22.553 1.00 15.87 C +ATOM 2284 CG ARG A1094 -29.480 -19.587 -23.935 1.00 15.77 C +ATOM 2285 CD ARG A1094 -29.171 -18.505 -24.969 1.00 16.91 C +ATOM 2286 NE ARG A1094 -29.920 -18.755 -26.202 1.00 17.19 N +ATOM 2287 CZ ARG A1094 -29.621 -18.295 -27.423 1.00 18.68 C +ATOM 2288 NH1 ARG A1094 -28.550 -17.519 -27.628 1.00 18.96 N +ATOM 2289 NH2 ARG A1094 -30.414 -18.625 -28.448 1.00 19.05 N1+ +ATOM 2290 H ARG A1094 -31.069 -19.860 -21.258 1.00 0.00 H +ATOM 2291 HA ARG A1094 -28.554 -21.311 -21.924 1.00 0.00 H +ATOM 2292 HB3 ARG A1094 -27.846 -19.019 -22.653 1.00 0.00 H +ATOM 2293 HB2 ARG A1094 -29.395 -18.374 -22.167 1.00 0.00 H +ATOM 2294 HG3 ARG A1094 -30.546 -19.816 -23.910 1.00 0.00 H +ATOM 2295 HG2 ARG A1094 -28.977 -20.498 -24.260 1.00 0.00 H +ATOM 2296 HD3 ARG A1094 -28.127 -18.642 -25.254 1.00 0.00 H +ATOM 2297 HD2 ARG A1094 -29.260 -17.487 -24.590 1.00 0.00 H +ATOM 2298 HE ARG A1094 -30.746 -19.337 -26.105 1.00 0.00 H +ATOM 2299 HH12 ARG A1094 -28.362 -17.134 -28.544 1.00 0.00 H +ATOM 2300 HH11 ARG A1094 -27.954 -17.261 -26.852 1.00 0.00 H +ATOM 2301 HH22 ARG A1094 -30.187 -18.329 -29.388 1.00 0.00 H +ATOM 2302 HH21 ARG A1094 -31.254 -19.166 -28.284 1.00 0.00 H +ATOM 2303 N GLN A1095 -27.151 -20.149 -20.078 1.00 17.08 N +ATOM 2304 CA GLN A1095 -26.406 -19.648 -18.929 1.00 17.36 C +ATOM 2305 C GLN A1095 -25.158 -18.899 -19.405 1.00 17.81 C +ATOM 2306 O GLN A1095 -24.533 -19.307 -20.381 1.00 17.85 O +ATOM 2307 CB GLN A1095 -26.030 -20.785 -17.956 1.00 18.81 C +ATOM 2308 CG GLN A1095 -27.236 -21.593 -17.435 1.00 19.63 C +ATOM 2309 CD GLN A1095 -26.852 -22.558 -16.316 1.00 21.18 C +ATOM 2310 NE2 GLN A1095 -26.042 -23.570 -16.634 1.00 21.74 N +ATOM 2311 OE1 GLN A1095 -27.281 -22.391 -15.175 1.00 22.89 O +ATOM 2312 H GLN A1095 -26.598 -20.548 -20.824 1.00 0.00 H +ATOM 2313 HA GLN A1095 -27.029 -18.936 -18.400 1.00 0.00 H +ATOM 2314 HB3 GLN A1095 -25.517 -20.336 -17.105 1.00 0.00 H +ATOM 2315 HB2 GLN A1095 -25.306 -21.456 -18.417 1.00 0.00 H +ATOM 2316 HG3 GLN A1095 -27.694 -22.162 -18.244 1.00 0.00 H +ATOM 2317 HG2 GLN A1095 -28.000 -20.912 -17.062 1.00 0.00 H +ATOM 2318 HE22 GLN A1095 -25.757 -24.230 -15.926 1.00 0.00 H +ATOM 2319 HE21 GLN A1095 -25.707 -23.678 -17.581 1.00 0.00 H +ATOM 2320 N LEU A1096 -24.823 -17.825 -18.678 1.00 16.67 N +ATOM 2321 CA LEU A1096 -23.571 -17.083 -18.782 1.00 17.49 C +ATOM 2322 C LEU A1096 -22.976 -16.979 -17.380 1.00 16.35 C +ATOM 2323 O LEU A1096 -23.713 -16.897 -16.396 1.00 15.78 O +ATOM 2324 CB LEU A1096 -23.811 -15.649 -19.325 1.00 20.16 C +ATOM 2325 CG LEU A1096 -23.967 -15.529 -20.854 1.00 22.07 C +ATOM 2326 CD1 LEU A1096 -24.198 -14.064 -21.276 1.00 21.61 C +ATOM 2327 CD2 LEU A1096 -22.783 -16.129 -21.617 1.00 23.93 C +ATOM 2328 H LEU A1096 -25.415 -17.559 -17.900 1.00 0.00 H +ATOM 2329 HA LEU A1096 -22.854 -17.621 -19.403 1.00 0.00 H +ATOM 2330 HB3 LEU A1096 -22.969 -15.013 -19.045 1.00 0.00 H +ATOM 2331 HB2 LEU A1096 -24.681 -15.213 -18.830 1.00 0.00 H +ATOM 2332 HG LEU A1096 -24.840 -16.101 -21.147 1.00 0.00 H +ATOM 2333 HD11 LEU A1096 -25.094 -13.967 -21.890 1.00 0.00 H +ATOM 2334 HD12 LEU A1096 -24.314 -13.404 -20.416 1.00 0.00 H +ATOM 2335 HD13 LEU A1096 -23.362 -13.670 -21.853 1.00 0.00 H +ATOM 2336 HD21 LEU A1096 -22.704 -15.720 -22.621 1.00 0.00 H +ATOM 2337 HD22 LEU A1096 -21.847 -15.930 -21.101 1.00 0.00 H +ATOM 2338 HD23 LEU A1096 -22.893 -17.207 -21.721 1.00 0.00 H +ATOM 2339 N LEU A1097 -21.643 -16.908 -17.336 1.00 14.12 N +ATOM 2340 CA LEU A1097 -20.896 -16.530 -16.147 1.00 14.32 C +ATOM 2341 C LEU A1097 -20.588 -15.031 -16.214 1.00 15.20 C +ATOM 2342 O LEU A1097 -20.375 -14.502 -17.304 1.00 16.20 O +ATOM 2343 CB LEU A1097 -19.594 -17.351 -16.069 1.00 14.75 C +ATOM 2344 CG LEU A1097 -19.809 -18.873 -15.988 1.00 16.25 C +ATOM 2345 CD1 LEU A1097 -18.481 -19.644 -16.090 1.00 16.65 C +ATOM 2346 CD2 LEU A1097 -20.592 -19.261 -14.726 1.00 16.42 C +ATOM 2347 H LEU A1097 -21.106 -16.972 -18.192 1.00 0.00 H +ATOM 2348 HA LEU A1097 -21.495 -16.720 -15.261 1.00 0.00 H +ATOM 2349 HB3 LEU A1097 -19.027 -17.036 -15.193 1.00 0.00 H +ATOM 2350 HB2 LEU A1097 -18.977 -17.124 -16.937 1.00 0.00 H +ATOM 2351 HG LEU A1097 -20.405 -19.171 -16.850 1.00 0.00 H +ATOM 2352 HD11 LEU A1097 -18.319 -20.282 -15.223 1.00 0.00 H +ATOM 2353 HD12 LEU A1097 -18.470 -20.287 -16.971 1.00 0.00 H +ATOM 2354 HD13 LEU A1097 -17.622 -18.977 -16.167 1.00 0.00 H +ATOM 2355 HD21 LEU A1097 -20.566 -20.336 -14.560 1.00 0.00 H +ATOM 2356 HD22 LEU A1097 -20.201 -18.769 -13.835 1.00 0.00 H +ATOM 2357 HD23 LEU A1097 -21.638 -18.979 -14.825 1.00 0.00 H +ATOM 2358 N PHE A1098 -20.536 -14.395 -15.039 1.00 14.07 N +ATOM 2359 CA PHE A1098 -20.067 -13.026 -14.860 1.00 13.59 C +ATOM 2360 C PHE A1098 -18.916 -13.121 -13.853 1.00 14.40 C +ATOM 2361 O PHE A1098 -19.143 -13.313 -12.658 1.00 14.62 O +ATOM 2362 CB PHE A1098 -21.247 -12.132 -14.435 1.00 15.09 C +ATOM 2363 CG PHE A1098 -20.957 -10.652 -14.260 1.00 15.22 C +ATOM 2364 CD1 PHE A1098 -20.357 -9.907 -15.299 1.00 15.47 C +ATOM 2365 CD2 PHE A1098 -21.401 -9.981 -13.102 1.00 15.75 C +ATOM 2366 CE1 PHE A1098 -20.194 -8.536 -15.162 1.00 15.87 C +ATOM 2367 CE2 PHE A1098 -21.219 -8.611 -12.980 1.00 15.82 C +ATOM 2368 CZ PHE A1098 -20.620 -7.893 -14.006 1.00 16.30 C +ATOM 2369 H PHE A1098 -20.740 -14.906 -14.190 1.00 0.00 H +ATOM 2370 HA PHE A1098 -19.669 -12.635 -15.799 1.00 0.00 H +ATOM 2371 HB3 PHE A1098 -21.668 -12.511 -13.508 1.00 0.00 H +ATOM 2372 HB2 PHE A1098 -22.041 -12.217 -15.177 1.00 0.00 H +ATOM 2373 HD1 PHE A1098 -20.041 -10.389 -16.213 1.00 0.00 H +ATOM 2374 HD2 PHE A1098 -21.891 -10.526 -12.310 1.00 0.00 H +ATOM 2375 HE1 PHE A1098 -19.737 -7.966 -15.958 1.00 0.00 H +ATOM 2376 HE2 PHE A1098 -21.551 -8.100 -12.088 1.00 0.00 H +ATOM 2377 HZ PHE A1098 -20.474 -6.830 -13.895 1.00 0.00 H +ATOM 2378 N CYS A1099 -17.700 -13.103 -14.411 1.00 13.08 N +ATOM 2379 CA CYS A1099 -16.465 -13.554 -13.783 1.00 13.42 C +ATOM 2380 C CYS A1099 -15.658 -12.357 -13.282 1.00 13.27 C +ATOM 2381 O CYS A1099 -15.581 -11.348 -13.979 1.00 14.43 O +ATOM 2382 CB CYS A1099 -15.590 -14.318 -14.798 1.00 13.88 C +ATOM 2383 SG CYS A1099 -16.489 -15.727 -15.499 1.00 15.97 S +ATOM 2384 H CYS A1099 -17.617 -12.876 -15.395 1.00 0.00 H +ATOM 2385 HA CYS A1099 -16.701 -14.213 -12.946 1.00 0.00 H +ATOM 2386 HB3 CYS A1099 -14.679 -14.689 -14.325 1.00 0.00 H +ATOM 2387 HB2 CYS A1099 -15.282 -13.670 -15.620 1.00 0.00 H +ATOM 2388 HG CYS A1099 -17.372 -14.997 -16.186 1.00 0.00 H +ATOM 2389 N ARG A1100 -15.009 -12.530 -12.123 1.00 12.82 N +ATOM 2390 CA ARG A1100 -14.009 -11.608 -11.599 1.00 13.67 C +ATOM 2391 C ARG A1100 -12.641 -12.006 -12.178 1.00 13.50 C +ATOM 2392 O ARG A1100 -12.153 -13.089 -11.855 1.00 13.29 O +ATOM 2393 CB ARG A1100 -14.056 -11.672 -10.061 1.00 14.20 C +ATOM 2394 CG ARG A1100 -13.231 -10.570 -9.377 1.00 15.89 C +ATOM 2395 CD ARG A1100 -13.363 -10.581 -7.849 1.00 15.49 C +ATOM 2396 NE ARG A1100 -14.707 -10.196 -7.410 1.00 17.13 N +ATOM 2397 CZ ARG A1100 -15.175 -8.953 -7.222 1.00 18.15 C +ATOM 2398 NH1 ARG A1100 -14.384 -7.876 -7.337 1.00 17.86 N +ATOM 2399 NH2 ARG A1100 -16.467 -8.795 -6.913 1.00 19.22 N1+ +ATOM 2400 H ARG A1100 -15.096 -13.410 -11.633 1.00 0.00 H +ATOM 2401 HA ARG A1100 -14.244 -10.589 -11.909 1.00 0.00 H +ATOM 2402 HB3 ARG A1100 -13.726 -12.654 -9.717 1.00 0.00 H +ATOM 2403 HB2 ARG A1100 -15.094 -11.579 -9.739 1.00 0.00 H +ATOM 2404 HG3 ARG A1100 -13.635 -9.623 -9.737 1.00 0.00 H +ATOM 2405 HG2 ARG A1100 -12.187 -10.580 -9.674 1.00 0.00 H +ATOM 2406 HD3 ARG A1100 -12.553 -10.090 -7.312 1.00 0.00 H +ATOM 2407 HD2 ARG A1100 -13.308 -11.625 -7.555 1.00 0.00 H +ATOM 2408 HE ARG A1100 -15.364 -10.971 -7.323 1.00 0.00 H +ATOM 2409 HH12 ARG A1100 -14.759 -6.947 -7.213 1.00 0.00 H +ATOM 2410 HH11 ARG A1100 -13.399 -7.978 -7.563 1.00 0.00 H +ATOM 2411 HH22 ARG A1100 -16.860 -7.877 -6.772 1.00 0.00 H +ATOM 2412 HH21 ARG A1100 -17.079 -9.609 -6.881 1.00 0.00 H +ATOM 2413 N VAL A1101 -12.091 -11.159 -13.062 1.00 12.72 N +ATOM 2414 CA VAL A1101 -10.918 -11.461 -13.885 1.00 13.27 C +ATOM 2415 C VAL A1101 -9.804 -10.435 -13.615 1.00 13.24 C +ATOM 2416 O VAL A1101 -10.047 -9.233 -13.710 1.00 13.80 O +ATOM 2417 CB VAL A1101 -11.265 -11.394 -15.403 1.00 13.09 C +ATOM 2418 CG1 VAL A1101 -10.072 -11.706 -16.332 1.00 14.29 C +ATOM 2419 CG2 VAL A1101 -12.435 -12.322 -15.772 1.00 13.35 C +ATOM 2420 H VAL A1101 -12.553 -10.280 -13.266 1.00 0.00 H +ATOM 2421 HA VAL A1101 -10.542 -12.459 -13.660 1.00 0.00 H +ATOM 2422 HB VAL A1101 -11.592 -10.378 -15.628 1.00 0.00 H +ATOM 2423 HG11 VAL A1101 -10.369 -11.668 -17.381 1.00 0.00 H +ATOM 2424 HG12 VAL A1101 -9.253 -10.998 -16.211 1.00 0.00 H +ATOM 2425 HG13 VAL A1101 -9.677 -12.704 -16.140 1.00 0.00 H +ATOM 2426 HG21 VAL A1101 -12.642 -12.277 -16.840 1.00 0.00 H +ATOM 2427 HG22 VAL A1101 -12.221 -13.359 -15.515 1.00 0.00 H +ATOM 2428 HG23 VAL A1101 -13.352 -12.033 -15.264 1.00 0.00 H +ATOM 2429 N THR A1102 -8.596 -10.944 -13.336 1.00 13.50 N +ATOM 2430 CA THR A1102 -7.360 -10.181 -13.164 1.00 13.32 C +ATOM 2431 C THR A1102 -6.668 -10.036 -14.534 1.00 13.30 C +ATOM 2432 O THR A1102 -6.345 -11.053 -15.153 1.00 13.24 O +ATOM 2433 CB THR A1102 -6.419 -10.959 -12.200 1.00 13.69 C +ATOM 2434 CG2 THR A1102 -4.937 -10.548 -12.169 1.00 13.91 C +ATOM 2435 OG1 THR A1102 -6.914 -10.821 -10.882 1.00 14.32 O +ATOM 2436 H THR A1102 -8.487 -11.950 -13.329 1.00 0.00 H +ATOM 2437 HA THR A1102 -7.575 -9.193 -12.750 1.00 0.00 H +ATOM 2438 HB THR A1102 -6.462 -12.021 -12.447 1.00 0.00 H +ATOM 2439 HG21 THR A1102 -4.396 -11.104 -11.404 1.00 0.00 H +ATOM 2440 HG22 THR A1102 -4.440 -10.760 -13.115 1.00 0.00 H +ATOM 2441 HG23 THR A1102 -4.819 -9.489 -11.950 1.00 0.00 H +ATOM 2442 HG1 THR A1102 -7.842 -11.078 -10.871 1.00 0.00 H +ATOM 2443 N LEU A1103 -6.450 -8.784 -14.976 1.00 12.73 N +ATOM 2444 CA LEU A1103 -5.801 -8.476 -16.257 1.00 13.00 C +ATOM 2445 C LEU A1103 -4.308 -8.144 -16.110 1.00 13.34 C +ATOM 2446 O LEU A1103 -3.570 -8.373 -17.067 1.00 13.88 O +ATOM 2447 CB LEU A1103 -6.499 -7.277 -16.938 1.00 13.37 C +ATOM 2448 CG LEU A1103 -7.980 -7.480 -17.308 1.00 14.31 C +ATOM 2449 CD1 LEU A1103 -8.530 -6.190 -17.938 1.00 15.51 C +ATOM 2450 CD2 LEU A1103 -8.194 -8.679 -18.248 1.00 15.12 C +ATOM 2451 H LEU A1103 -6.758 -7.993 -14.427 1.00 0.00 H +ATOM 2452 HA LEU A1103 -5.870 -9.335 -16.926 1.00 0.00 H +ATOM 2453 HB3 LEU A1103 -5.955 -7.020 -17.848 1.00 0.00 H +ATOM 2454 HB2 LEU A1103 -6.417 -6.404 -16.293 1.00 0.00 H +ATOM 2455 HG LEU A1103 -8.550 -7.665 -16.396 1.00 0.00 H +ATOM 2456 HD11 LEU A1103 -9.531 -6.337 -18.344 1.00 0.00 H +ATOM 2457 HD12 LEU A1103 -8.581 -5.386 -17.204 1.00 0.00 H +ATOM 2458 HD13 LEU A1103 -7.892 -5.844 -18.752 1.00 0.00 H +ATOM 2459 HD21 LEU A1103 -9.141 -8.605 -18.781 1.00 0.00 H +ATOM 2460 HD22 LEU A1103 -7.400 -8.753 -18.991 1.00 0.00 H +ATOM 2461 HD23 LEU A1103 -8.211 -9.614 -17.691 1.00 0.00 H +ATOM 2462 N GLY A1104 -3.895 -7.578 -14.960 1.00 13.53 N +ATOM 2463 CA GLY A1104 -2.557 -7.026 -14.715 1.00 14.08 C +ATOM 2464 C GLY A1104 -2.195 -5.946 -15.743 1.00 13.93 C +ATOM 2465 O GLY A1104 -3.046 -5.152 -16.147 1.00 14.26 O +ATOM 2466 H GLY A1104 -4.567 -7.444 -14.216 1.00 0.00 H +ATOM 2467 HA3 GLY A1104 -1.826 -7.830 -14.748 1.00 0.00 H +ATOM 2468 HA2 GLY A1104 -2.523 -6.593 -13.715 1.00 0.00 H +ATOM 2469 N LYS A1105 -0.927 -5.938 -16.180 1.00 14.82 N +ATOM 2470 CA LYS A1105 -0.486 -5.212 -17.369 1.00 15.79 C +ATOM 2471 C LYS A1105 -0.981 -5.955 -18.621 1.00 14.43 C +ATOM 2472 O LYS A1105 -0.570 -7.092 -18.838 1.00 15.06 O +ATOM 2473 CB LYS A1105 1.047 -5.053 -17.328 1.00 17.62 C +ATOM 2474 CG LYS A1105 1.639 -4.373 -18.573 1.00 19.87 C +ATOM 2475 CD LYS A1105 3.068 -3.859 -18.348 1.00 21.40 C +ATOM 2476 CE LYS A1105 3.761 -3.388 -19.634 1.00 22.68 C +ATOM 2477 NZ LYS A1105 3.047 -2.275 -20.282 1.00 22.73 N1+ +ATOM 2478 H LYS A1105 -0.268 -6.610 -15.808 1.00 0.00 H +ATOM 2479 HA LYS A1105 -0.920 -4.211 -17.348 1.00 0.00 H +ATOM 2480 HB3 LYS A1105 1.530 -6.023 -17.190 1.00 0.00 H +ATOM 2481 HB2 LYS A1105 1.303 -4.465 -16.450 1.00 0.00 H +ATOM 2482 HG3 LYS A1105 0.995 -3.548 -18.881 1.00 0.00 H +ATOM 2483 HG2 LYS A1105 1.645 -5.089 -19.392 1.00 0.00 H +ATOM 2484 HD3 LYS A1105 3.667 -4.642 -17.885 1.00 0.00 H +ATOM 2485 HD2 LYS A1105 3.048 -3.040 -17.629 1.00 0.00 H +ATOM 2486 HE3 LYS A1105 3.856 -4.215 -20.337 1.00 0.00 H +ATOM 2487 HE2 LYS A1105 4.771 -3.051 -19.403 1.00 0.00 H +ATOM 2488 HZ1 LYS A1105 2.962 -1.504 -19.636 1.00 0.00 H +ATOM 2489 HZ2 LYS A1105 3.569 -1.977 -21.096 1.00 0.00 H +ATOM 2490 HZ3 LYS A1105 2.122 -2.570 -20.573 1.00 0.00 H +ATOM 2491 N SER A1106 -1.870 -5.318 -19.395 1.00 14.58 N +ATOM 2492 CA SER A1106 -2.531 -5.933 -20.544 1.00 14.41 C +ATOM 2493 C SER A1106 -1.971 -5.357 -21.852 1.00 14.97 C +ATOM 2494 O SER A1106 -1.818 -4.141 -21.960 1.00 16.19 O +ATOM 2495 CB SER A1106 -4.045 -5.695 -20.421 1.00 14.80 C +ATOM 2496 OG SER A1106 -4.738 -6.489 -21.359 1.00 15.97 O +ATOM 2497 H SER A1106 -2.147 -4.369 -19.171 1.00 0.00 H +ATOM 2498 HA SER A1106 -2.365 -7.011 -20.533 1.00 0.00 H +ATOM 2499 HB3 SER A1106 -4.300 -4.645 -20.572 1.00 0.00 H +ATOM 2500 HB2 SER A1106 -4.394 -5.966 -19.423 1.00 0.00 H +ATOM 2501 HG SER A1106 -4.784 -7.386 -21.009 1.00 0.00 H +ATOM 2502 N PHE A1107 -1.685 -6.242 -22.819 1.00 14.57 N +ATOM 2503 CA PHE A1107 -1.161 -5.899 -24.141 1.00 15.88 C +ATOM 2504 C PHE A1107 -2.309 -5.473 -25.074 1.00 16.50 C +ATOM 2505 O PHE A1107 -3.159 -6.301 -25.395 1.00 17.51 O +ATOM 2506 CB PHE A1107 -0.390 -7.122 -24.683 1.00 16.12 C +ATOM 2507 CG PHE A1107 0.293 -6.936 -26.028 1.00 19.22 C +ATOM 2508 CD1 PHE A1107 -0.404 -7.175 -27.232 1.00 19.92 C +ATOM 2509 CD2 PHE A1107 1.584 -6.372 -26.087 1.00 22.03 C +ATOM 2510 CE1 PHE A1107 0.207 -6.909 -28.450 1.00 21.55 C +ATOM 2511 CE2 PHE A1107 2.180 -6.121 -27.315 1.00 24.08 C +ATOM 2512 CZ PHE A1107 1.495 -6.392 -28.492 1.00 23.59 C +ATOM 2513 H PHE A1107 -1.843 -7.228 -22.650 1.00 0.00 H +ATOM 2514 HA PHE A1107 -0.454 -5.072 -24.040 1.00 0.00 H +ATOM 2515 HB3 PHE A1107 -1.062 -7.976 -24.747 1.00 0.00 H +ATOM 2516 HB2 PHE A1107 0.375 -7.416 -23.964 1.00 0.00 H +ATOM 2517 HD1 PHE A1107 -1.411 -7.565 -27.207 1.00 0.00 H +ATOM 2518 HD2 PHE A1107 2.118 -6.143 -25.179 1.00 0.00 H +ATOM 2519 HE1 PHE A1107 -0.320 -7.101 -29.371 1.00 0.00 H +ATOM 2520 HE2 PHE A1107 3.177 -5.707 -27.354 1.00 0.00 H +ATOM 2521 HZ PHE A1107 1.963 -6.193 -29.445 1.00 0.00 H +ATOM 2522 N LEU A1108 -2.318 -4.200 -25.496 1.00 17.64 N +ATOM 2523 CA ALEU A1108 -3.357 -3.639 -26.363 0.50 18.19 C +ATOM 2524 CA BLEU A1108 -3.311 -3.744 -26.313 0.50 17.31 C +ATOM 2525 C LEU A1108 -3.152 -4.062 -27.827 1.00 18.49 C +ATOM 2526 O LEU A1108 -2.175 -3.648 -28.451 1.00 19.56 O +ATOM 2527 CB ALEU A1108 -3.391 -2.098 -26.235 0.50 19.88 C +ATOM 2528 CB BLEU A1108 -3.385 -2.229 -26.124 0.50 17.79 C +ATOM 2529 CG ALEU A1108 -4.182 -1.556 -25.022 0.50 20.95 C +ATOM 2530 CG BLEU A1108 -4.601 -1.472 -26.698 0.50 17.45 C +ATOM 2531 CD1ALEU A1108 -3.605 -2.006 -23.667 0.50 21.82 C +ATOM 2532 CD1BLEU A1108 -5.908 -1.889 -26.050 0.50 17.55 C +ATOM 2533 CD2ALEU A1108 -4.308 -0.019 -25.103 0.50 21.34 C +ATOM 2534 CD2BLEU A1108 -4.414 0.023 -26.538 0.50 17.61 C +ATOM 2535 H LEU A1108 -1.589 -3.565 -25.197 1.00 0.00 H +ATOM 2536 HA ALEU A1108 -4.327 -4.019 -26.037 0.50 0.00 H +ATOM 2537 HA BLEU A1108 -4.256 -4.176 -25.983 0.50 0.00 H +ATOM 2538 HB3ALEU A1108 -3.875 -1.692 -27.126 0.50 0.00 H +ATOM 2539 HB3BLEU A1108 -2.470 -1.777 -26.508 0.50 0.00 H +ATOM 2540 HB2ALEU A1108 -2.379 -1.693 -26.242 0.50 0.00 H +ATOM 2541 HB2BLEU A1108 -3.289 -1.997 -25.063 0.50 0.00 H +ATOM 2542 HG ALEU A1108 -5.195 -1.956 -25.086 0.50 0.00 H +ATOM 2543 HG BLEU A1108 -4.666 -1.693 -27.763 0.50 0.00 H +ATOM 2544 HD11ALEU A1108 -3.825 -1.297 -22.868 0.50 0.00 H +ATOM 2545 HD11BLEU A1108 -6.729 -1.325 -26.492 0.50 0.00 H +ATOM 2546 HD12ALEU A1108 -4.026 -2.966 -23.366 0.50 0.00 H +ATOM 2547 HD12BLEU A1108 -6.071 -2.954 -26.212 0.50 0.00 H +ATOM 2548 HD13ALEU A1108 -2.522 -2.120 -23.707 0.50 0.00 H +ATOM 2549 HD13BLEU A1108 -5.864 -1.688 -24.980 0.50 0.00 H +ATOM 2550 HD21ALEU A1108 -5.355 0.284 -25.130 0.50 0.00 H +ATOM 2551 HD21BLEU A1108 -5.280 0.544 -26.947 0.50 0.00 H +ATOM 2552 HD22ALEU A1108 -3.846 0.485 -24.254 0.50 0.00 H +ATOM 2553 HD22BLEU A1108 -4.311 0.266 -25.480 0.50 0.00 H +ATOM 2554 HD23ALEU A1108 -3.837 0.384 -26.000 0.50 0.00 H +ATOM 2555 HD23BLEU A1108 -3.516 0.337 -27.071 0.50 0.00 H +ATOM 2556 N GLN A1109 -4.118 -4.834 -28.345 1.00 18.30 N +ATOM 2557 CA GLN A1109 -4.290 -5.159 -29.757 1.00 20.12 C +ATOM 2558 C GLN A1109 -5.418 -4.307 -30.350 1.00 21.10 C +ATOM 2559 O GLN A1109 -6.536 -4.330 -29.837 1.00 22.48 O +ATOM 2560 CB GLN A1109 -4.617 -6.662 -29.918 1.00 22.48 C +ATOM 2561 CG GLN A1109 -3.378 -7.577 -29.983 1.00 26.00 C +ATOM 2562 CD GLN A1109 -2.601 -7.558 -31.310 1.00 23.96 C +ATOM 2563 NE2 GLN A1109 -3.050 -6.806 -32.320 1.00 26.01 N +ATOM 2564 OE1 GLN A1109 -1.585 -8.238 -31.426 1.00 28.70 O +ATOM 2565 H GLN A1109 -4.871 -5.146 -27.743 1.00 0.00 H +ATOM 2566 HA GLN A1109 -3.369 -4.934 -30.297 1.00 0.00 H +ATOM 2567 HB3 GLN A1109 -5.231 -6.830 -30.805 1.00 0.00 H +ATOM 2568 HB2 GLN A1109 -5.246 -6.990 -29.090 1.00 0.00 H +ATOM 2569 HG3 GLN A1109 -3.689 -8.606 -29.808 1.00 0.00 H +ATOM 2570 HG2 GLN A1109 -2.698 -7.330 -29.170 1.00 0.00 H +ATOM 2571 HE22 GLN A1109 -2.545 -6.786 -33.194 1.00 0.00 H +ATOM 2572 HE21 GLN A1109 -3.883 -6.246 -32.218 1.00 0.00 H +ATOM 2573 N PHE A1110 -5.098 -3.611 -31.447 1.00 22.07 N +ATOM 2574 CA PHE A1110 -6.025 -2.839 -32.266 1.00 24.62 C +ATOM 2575 C PHE A1110 -6.366 -3.714 -33.483 1.00 30.41 C +ATOM 2576 O PHE A1110 -5.463 -4.030 -34.257 1.00 33.11 O +ATOM 2577 CB PHE A1110 -5.340 -1.516 -32.698 1.00 24.01 C +ATOM 2578 CG PHE A1110 -5.007 -0.526 -31.584 1.00 24.71 C +ATOM 2579 CD1 PHE A1110 -3.976 -0.796 -30.656 1.00 26.94 C +ATOM 2580 CD2 PHE A1110 -5.763 0.656 -31.430 1.00 29.44 C +ATOM 2581 CE1 PHE A1110 -3.715 0.093 -29.621 1.00 28.94 C +ATOM 2582 CE2 PHE A1110 -5.481 1.537 -30.393 1.00 27.35 C +ATOM 2583 CZ PHE A1110 -4.465 1.254 -29.490 1.00 28.50 C +ATOM 2584 H PHE A1110 -4.149 -3.653 -31.801 1.00 0.00 H +ATOM 2585 HA PHE A1110 -6.938 -2.602 -31.716 1.00 0.00 H +ATOM 2586 HB3 PHE A1110 -5.975 -1.008 -33.425 1.00 0.00 H +ATOM 2587 HB2 PHE A1110 -4.412 -1.733 -33.229 1.00 0.00 H +ATOM 2588 HD1 PHE A1110 -3.379 -1.692 -30.743 1.00 0.00 H +ATOM 2589 HD2 PHE A1110 -6.552 0.894 -32.126 1.00 0.00 H +ATOM 2590 HE1 PHE A1110 -2.924 -0.120 -28.916 1.00 0.00 H +ATOM 2591 HE2 PHE A1110 -6.058 2.444 -30.286 1.00 0.00 H +ATOM 2592 HZ PHE A1110 -4.255 1.940 -28.683 1.00 0.00 H +ATOM 2593 N SER A1111 -7.637 -4.130 -33.617 1.00 34.34 N +ATOM 2594 CA SER A1111 -8.093 -5.019 -34.693 1.00 39.66 C +ATOM 2595 C SER A1111 -9.619 -4.924 -34.861 1.00 43.16 C +ATOM 2596 O SER A1111 -10.319 -4.533 -33.929 1.00 42.82 O +ATOM 2597 CB SER A1111 -7.599 -6.468 -34.442 1.00 42.13 C +ATOM 2598 OG SER A1111 -7.954 -7.346 -35.492 1.00 46.45 O +ATOM 2599 H SER A1111 -8.339 -3.852 -32.946 1.00 0.00 H +ATOM 2600 HA SER A1111 -7.651 -4.660 -35.626 1.00 0.00 H +ATOM 2601 HB3 SER A1111 -8.010 -6.869 -33.518 1.00 0.00 H +ATOM 2602 HB2 SER A1111 -6.514 -6.499 -34.337 1.00 0.00 H +ATOM 2603 HG SER A1111 -7.563 -8.205 -35.314 1.00 0.00 H +ATOM 2604 N ALA A1112 -10.100 -5.260 -36.070 1.00 47.73 N +ATOM 2605 CA ALA A1112 -11.506 -5.196 -36.482 1.00 51.84 C +ATOM 2606 C ALA A1112 -12.448 -6.184 -35.765 1.00 50.87 C +ATOM 2607 O ALA A1112 -13.647 -5.910 -35.702 1.00 51.52 O +ATOM 2608 CB ALA A1112 -11.571 -5.424 -38.000 1.00 52.70 C +ATOM 2609 H ALA A1112 -9.453 -5.586 -36.775 1.00 0.00 H +ATOM 2610 HA ALA A1112 -11.868 -4.188 -36.271 1.00 0.00 H +ATOM 2611 HB1 ALA A1112 -12.591 -5.322 -38.373 1.00 0.00 H +ATOM 2612 HB2 ALA A1112 -10.953 -4.703 -38.533 1.00 0.00 H +ATOM 2613 HB3 ALA A1112 -11.218 -6.421 -38.268 1.00 0.00 H +ATOM 2614 N NME A1112A -11.897 -7.295 -35.248 1.00 0.00 N +ATOM 2615 CH3 NME A1112A -12.640 -8.345 -34.561 1.00 0.00 C +ATOM 2616 H NME A1112A -10.900 -7.429 -35.341 1.00 0.00 H +ATOM 2617 HH31 NME A1112A -13.711 -8.148 -34.498 1.00 0.00 H +ATOM 2618 HH32 NME A1112A -12.506 -9.293 -35.081 1.00 0.00 H +ATOM 2619 HH33 NME A1112A -12.258 -8.462 -33.546 1.00 0.00 H +TER 2620 NME A1112A +ATOM 2621 CH3 ACE C1114 -1.649 -25.907 -21.348 1.00 0.00 C +ATOM 2622 C ACE C1114 -1.905 -24.471 -21.792 1.00 0.00 C +ATOM 2623 O ACE C1114 -1.695 -23.548 -21.008 1.00 0.00 O +ATOM 2624 1H ACE C1114 -2.029 -26.066 -20.339 1.00 0.00 H +ATOM 2625 2H ACE C1114 -2.134 -26.623 -22.012 1.00 0.00 H +ATOM 2626 3H ACE C1114 -0.578 -26.112 -21.343 1.00 0.00 H +ATOM 2627 N MET C1115 -2.352 -24.307 -23.051 1.00 40.22 N +ATOM 2628 CA MET C1115 -2.631 -23.047 -23.758 1.00 38.68 C +ATOM 2629 C MET C1115 -1.356 -22.218 -24.042 1.00 36.45 C +ATOM 2630 O MET C1115 -0.267 -22.567 -23.583 1.00 38.15 O +ATOM 2631 CB MET C1115 -3.820 -22.299 -23.083 1.00 42.43 C +ATOM 2632 CG MET C1115 -3.522 -21.107 -22.149 1.00 39.35 C +ATOM 2633 SD MET C1115 -4.937 -20.660 -21.100 1.00 35.48 S +ATOM 2634 CE MET C1115 -4.638 -21.733 -19.672 1.00 37.35 C +ATOM 2635 H2 MET C1115 -2.511 -25.136 -23.608 1.00 0.00 H +ATOM 2636 HA MET C1115 -2.985 -23.378 -24.735 1.00 0.00 H +ATOM 2637 HB3 MET C1115 -4.459 -23.014 -22.563 1.00 0.00 H +ATOM 2638 HB2 MET C1115 -4.454 -21.915 -23.882 1.00 0.00 H +ATOM 2639 HG3 MET C1115 -3.264 -20.228 -22.738 1.00 0.00 H +ATOM 2640 HG2 MET C1115 -2.664 -21.295 -21.507 1.00 0.00 H +ATOM 2641 HE1 MET C1115 -5.469 -21.669 -18.969 1.00 0.00 H +ATOM 2642 HE2 MET C1115 -4.528 -22.768 -19.989 1.00 0.00 H +ATOM 2643 HE3 MET C1115 -3.727 -21.436 -19.153 1.00 0.00 H +ATOM 2644 N ALA C1116 -1.501 -21.148 -24.841 1.00 32.80 N +ATOM 2645 CA ALA C1116 -0.412 -20.234 -25.201 1.00 31.86 C +ATOM 2646 C ALA C1116 0.065 -19.397 -24.003 1.00 32.35 C +ATOM 2647 O ALA C1116 -0.617 -19.340 -22.979 1.00 31.62 O +ATOM 2648 CB ALA C1116 -0.877 -19.313 -26.342 1.00 31.85 C +ATOM 2649 H ALA C1116 -2.422 -20.887 -25.166 1.00 0.00 H +ATOM 2650 HA ALA C1116 0.426 -20.835 -25.560 1.00 0.00 H +ATOM 2651 HB1 ALA C1116 -0.041 -18.748 -26.756 1.00 0.00 H +ATOM 2652 HB2 ALA C1116 -1.314 -19.886 -27.158 1.00 0.00 H +ATOM 2653 HB3 ALA C1116 -1.620 -18.589 -26.007 1.00 0.00 H +ATOM 2654 N HIS C1117 1.225 -18.745 -24.166 1.00 33.87 N +ATOM 2655 CA HIS C1117 1.749 -17.784 -23.199 1.00 35.52 C +ATOM 2656 C HIS C1117 1.209 -16.375 -23.468 1.00 33.01 C +ATOM 2657 O HIS C1117 0.880 -16.035 -24.607 1.00 29.46 O +ATOM 2658 CB HIS C1117 3.289 -17.791 -23.238 1.00 40.69 C +ATOM 2659 CG HIS C1117 3.910 -19.046 -22.679 1.00 48.92 C +ATOM 2660 CD2 HIS C1117 4.718 -20.004 -23.253 1.00 51.39 C +ATOM 2661 ND1 HIS C1117 3.723 -19.453 -21.369 1.00 54.42 N +ATOM 2662 CE1 HIS C1117 4.394 -20.597 -21.212 1.00 54.38 C +ATOM 2663 NE2 HIS C1117 5.024 -20.990 -22.312 1.00 54.67 N +ATOM 2664 H HIS C1117 1.733 -18.827 -25.034 1.00 0.00 H +ATOM 2665 HA HIS C1117 1.431 -18.070 -22.197 1.00 0.00 H +ATOM 2666 HB3 HIS C1117 3.687 -16.953 -22.663 1.00 0.00 H +ATOM 2667 HB2 HIS C1117 3.643 -17.649 -24.260 1.00 0.00 H +ATOM 2668 HD2 HIS C1117 5.097 -20.062 -24.262 1.00 0.00 H +ATOM 2669 HD1 HIS C1117 3.177 -18.978 -20.664 1.00 0.00 H +ATOM 2670 HE1 HIS C1117 4.421 -21.149 -20.283 1.00 0.00 H +ATOM 2671 N SER C1118 1.187 -15.569 -22.398 1.00 30.95 N +ATOM 2672 CA SER C1118 0.964 -14.126 -22.444 1.00 29.17 C +ATOM 2673 C SER C1118 2.190 -13.424 -23.081 1.00 27.95 C +ATOM 2674 O SER C1118 3.300 -13.932 -22.900 1.00 25.91 O +ATOM 2675 CB SER C1118 0.741 -13.666 -20.989 1.00 31.93 C +ATOM 2676 OG SER C1118 0.307 -12.327 -20.928 1.00 34.39 O +ATOM 2677 H SER C1118 1.474 -15.938 -21.501 1.00 0.00 H +ATOM 2678 HA SER C1118 0.058 -13.960 -23.022 1.00 0.00 H +ATOM 2679 HB3 SER C1118 1.656 -13.766 -20.402 1.00 0.00 H +ATOM 2680 HB2 SER C1118 -0.017 -14.281 -20.503 1.00 0.00 H +ATOM 2681 HG SER C1118 0.912 -11.843 -20.358 1.00 0.00 H +ATOM 2682 N PRO C1119 2.000 -12.284 -23.795 1.00 25.74 N +ATOM 2683 CA PRO C1119 3.128 -11.473 -24.313 1.00 27.41 C +ATOM 2684 C PRO C1119 4.161 -11.097 -23.220 1.00 26.80 C +ATOM 2685 O PRO C1119 3.722 -10.730 -22.130 1.00 25.85 O +ATOM 2686 CB PRO C1119 2.431 -10.215 -24.867 1.00 27.34 C +ATOM 2687 CG PRO C1119 1.040 -10.682 -25.245 1.00 26.35 C +ATOM 2688 CD PRO C1119 0.711 -11.679 -24.145 1.00 25.81 C +ATOM 2689 HA PRO C1119 3.555 -12.035 -25.141 1.00 0.00 H +ATOM 2690 HB3 PRO C1119 2.963 -9.780 -25.714 1.00 0.00 H +ATOM 2691 HB2 PRO C1119 2.347 -9.439 -24.104 1.00 0.00 H +ATOM 2692 HG3 PRO C1119 1.074 -11.195 -26.207 1.00 0.00 H +ATOM 2693 HG2 PRO C1119 0.319 -9.871 -25.325 1.00 0.00 H +ATOM 2694 HD2 PRO C1119 0.308 -11.155 -23.278 1.00 0.00 H +ATOM 2695 HD3 PRO C1119 -0.032 -12.393 -24.496 1.00 0.00 H +ATOM 2696 N PRO C1120 5.485 -11.219 -23.492 1.00 26.66 N +ATOM 2697 CA PRO C1120 6.557 -10.880 -22.527 1.00 25.76 C +ATOM 2698 C PRO C1120 6.405 -9.527 -21.804 1.00 24.82 C +ATOM 2699 O PRO C1120 6.350 -8.487 -22.462 1.00 27.04 O +ATOM 2700 CB PRO C1120 7.836 -10.931 -23.378 1.00 27.97 C +ATOM 2701 CG PRO C1120 7.536 -11.984 -24.427 1.00 28.34 C +ATOM 2702 CD PRO C1120 6.058 -11.762 -24.727 1.00 27.73 C +ATOM 2703 HA PRO C1120 6.586 -11.689 -21.795 1.00 0.00 H +ATOM 2704 HB3 PRO C1120 8.723 -11.171 -22.791 1.00 0.00 H +ATOM 2705 HB2 PRO C1120 8.017 -9.975 -23.872 1.00 0.00 H +ATOM 2706 HG3 PRO C1120 7.675 -12.974 -23.990 1.00 0.00 H +ATOM 2707 HG2 PRO C1120 8.175 -11.912 -25.308 1.00 0.00 H +ATOM 2708 HD2 PRO C1120 5.933 -11.032 -25.527 1.00 0.00 H +ATOM 2709 HD3 PRO C1120 5.603 -12.703 -25.038 1.00 0.00 H +ATOM 2710 N GLY C1121 6.308 -9.587 -20.466 1.00 24.62 N +ATOM 2711 CA GLY C1121 6.133 -8.424 -19.596 1.00 23.66 C +ATOM 2712 C GLY C1121 4.655 -8.067 -19.359 1.00 21.74 C +ATOM 2713 O GLY C1121 4.394 -7.014 -18.779 1.00 21.71 O +ATOM 2714 H GLY C1121 6.365 -10.489 -20.008 1.00 0.00 H +ATOM 2715 HA3 GLY C1121 6.654 -7.557 -20.005 1.00 0.00 H +ATOM 2716 HA2 GLY C1121 6.595 -8.642 -18.633 1.00 0.00 H +ATOM 2717 N HIS C1122 3.703 -8.906 -19.803 1.00 19.88 N +ATOM 2718 CA HIS C1122 2.257 -8.699 -19.681 1.00 18.23 C +ATOM 2719 C HIS C1122 1.602 -9.931 -19.041 1.00 18.36 C +ATOM 2720 O HIS C1122 2.174 -11.023 -19.060 1.00 19.78 O +ATOM 2721 CB HIS C1122 1.635 -8.406 -21.068 1.00 18.20 C +ATOM 2722 CG HIS C1122 2.246 -7.234 -21.798 1.00 18.94 C +ATOM 2723 CD2 HIS C1122 1.817 -5.937 -21.965 1.00 18.90 C +ATOM 2724 ND1 HIS C1122 3.454 -7.311 -22.471 1.00 21.10 N +ATOM 2725 CE1 HIS C1122 3.717 -6.097 -22.955 1.00 19.24 C +ATOM 2726 NE2 HIS C1122 2.764 -5.212 -22.689 1.00 19.42 N +ATOM 2727 H HIS C1122 3.976 -9.755 -20.281 1.00 0.00 H +ATOM 2728 HA HIS C1122 2.057 -7.847 -19.028 1.00 0.00 H +ATOM 2729 HB3 HIS C1122 0.569 -8.204 -20.965 1.00 0.00 H +ATOM 2730 HB2 HIS C1122 1.694 -9.282 -21.712 1.00 0.00 H +ATOM 2731 HD2 HIS C1122 0.917 -5.464 -21.602 1.00 0.00 H +ATOM 2732 HD1 HIS C1122 4.052 -8.123 -22.544 1.00 0.00 H +ATOM 2733 HE1 HIS C1122 4.613 -5.859 -23.509 1.00 0.00 H +ATOM 2734 N HIS C1123 0.395 -9.720 -18.498 1.00 15.88 N +ATOM 2735 CA HIS C1123 -0.424 -10.718 -17.809 1.00 15.32 C +ATOM 2736 C HIS C1123 -1.719 -11.055 -18.575 1.00 15.55 C +ATOM 2737 O HIS C1123 -2.414 -11.981 -18.162 1.00 14.61 O +ATOM 2738 CB HIS C1123 -0.744 -10.210 -16.388 1.00 15.15 C +ATOM 2739 CG HIS C1123 0.444 -9.775 -15.569 1.00 16.07 C +ATOM 2740 CD2 HIS C1123 1.302 -10.554 -14.825 1.00 17.12 C +ATOM 2741 ND1 HIS C1123 0.834 -8.434 -15.449 1.00 16.91 N +ATOM 2742 CE1 HIS C1123 1.889 -8.456 -14.644 1.00 18.44 C +ATOM 2743 NE2 HIS C1123 2.208 -9.687 -14.246 1.00 17.87 N +ATOM 2744 H HIS C1123 0.006 -8.785 -18.528 1.00 0.00 H +ATOM 2745 HA HIS C1123 0.131 -11.651 -17.711 1.00 0.00 H +ATOM 2746 HB3 HIS C1123 -1.280 -10.974 -15.824 1.00 0.00 H +ATOM 2747 HB2 HIS C1123 -1.410 -9.355 -16.453 1.00 0.00 H +ATOM 2748 HD2 HIS C1123 1.337 -11.619 -14.659 1.00 0.00 H +ATOM 2749 HE1 HIS C1123 2.432 -7.572 -14.344 1.00 0.00 H +ATOM 2750 HE2 HIS C1123 2.968 -9.955 -13.628 1.00 0.00 H +ATOM 2751 N SER C1124 -2.019 -10.337 -19.671 1.00 14.48 N +ATOM 2752 CA SER C1124 -3.171 -10.574 -20.547 1.00 14.00 C +ATOM 2753 C SER C1124 -3.000 -9.831 -21.887 1.00 13.80 C +ATOM 2754 O SER C1124 -2.012 -9.119 -22.080 1.00 13.98 O +ATOM 2755 CB SER C1124 -4.493 -10.211 -19.818 1.00 14.85 C +ATOM 2756 OG SER C1124 -4.637 -8.820 -19.638 1.00 14.77 O +ATOM 2757 H SER C1124 -1.399 -9.596 -19.965 1.00 0.00 H +ATOM 2758 HA SER C1124 -3.187 -11.640 -20.782 1.00 0.00 H +ATOM 2759 HB3 SER C1124 -4.572 -10.701 -18.848 1.00 0.00 H +ATOM 2760 HB2 SER C1124 -5.356 -10.549 -20.389 1.00 0.00 H +ATOM 2761 HG SER C1124 -4.112 -8.566 -18.871 1.00 0.00 H +ATOM 2762 N VAL C1125 -3.993 -10.001 -22.774 1.00 14.02 N +ATOM 2763 CA VAL C1125 -4.185 -9.223 -23.999 1.00 14.37 C +ATOM 2764 C VAL C1125 -5.583 -8.576 -23.951 1.00 15.03 C +ATOM 2765 O VAL C1125 -6.530 -9.219 -23.502 1.00 14.46 O +ATOM 2766 CB VAL C1125 -4.077 -10.121 -25.273 1.00 15.38 C +ATOM 2767 CG1 VAL C1125 -4.623 -9.500 -26.580 1.00 15.82 C +ATOM 2768 CG2 VAL C1125 -2.625 -10.566 -25.512 1.00 15.26 C +ATOM 2769 H VAL C1125 -4.749 -10.634 -22.547 1.00 0.00 H +ATOM 2770 HA VAL C1125 -3.439 -8.431 -24.055 1.00 0.00 H +ATOM 2771 HB VAL C1125 -4.652 -11.030 -25.089 1.00 0.00 H +ATOM 2772 HG11 VAL C1125 -4.372 -10.115 -27.444 1.00 0.00 H +ATOM 2773 HG12 VAL C1125 -5.710 -9.410 -26.571 1.00 0.00 H +ATOM 2774 HG13 VAL C1125 -4.203 -8.511 -26.759 1.00 0.00 H +ATOM 2775 HG21 VAL C1125 -2.562 -11.288 -26.326 1.00 0.00 H +ATOM 2776 HG22 VAL C1125 -2.001 -9.718 -25.787 1.00 0.00 H +ATOM 2777 HG23 VAL C1125 -2.190 -11.031 -24.629 1.00 0.00 H +ATOM 2778 N THR C1126 -5.678 -7.331 -24.444 1.00 13.61 N +ATOM 2779 CA THR C1126 -6.927 -6.611 -24.687 1.00 13.63 C +ATOM 2780 C THR C1126 -7.149 -6.535 -26.205 1.00 15.16 C +ATOM 2781 O THR C1126 -6.286 -6.021 -26.912 1.00 15.52 O +ATOM 2782 CB THR C1126 -6.853 -5.145 -24.174 1.00 14.80 C +ATOM 2783 CG2 THR C1126 -8.063 -4.252 -24.525 1.00 15.58 C +ATOM 2784 OG1 THR C1126 -6.751 -5.152 -22.770 1.00 14.87 O +ATOM 2785 H THR C1126 -4.841 -6.878 -24.793 1.00 0.00 H +ATOM 2786 HA THR C1126 -7.770 -7.116 -24.212 1.00 0.00 H +ATOM 2787 HB THR C1126 -5.947 -4.667 -24.546 1.00 0.00 H +ATOM 2788 HG21 THR C1126 -7.999 -3.287 -24.022 1.00 0.00 H +ATOM 2789 HG22 THR C1126 -8.124 -4.043 -25.593 1.00 0.00 H +ATOM 2790 HG23 THR C1126 -9.000 -4.721 -24.223 1.00 0.00 H +ATOM 2791 HG1 THR C1126 -5.980 -5.673 -22.512 1.00 0.00 H +ATOM 2792 N GLY C1127 -8.322 -6.994 -26.661 1.00 15.22 N +ATOM 2793 CA GLY C1127 -8.792 -6.822 -28.028 1.00 16.26 C +ATOM 2794 C GLY C1127 -9.685 -5.579 -28.041 1.00 18.13 C +ATOM 2795 O GLY C1127 -10.851 -5.655 -27.653 1.00 16.71 O +ATOM 2796 H GLY C1127 -8.991 -7.375 -26.001 1.00 0.00 H +ATOM 2797 HA3 GLY C1127 -9.379 -7.693 -28.317 1.00 0.00 H +ATOM 2798 HA2 GLY C1127 -7.970 -6.734 -28.742 1.00 0.00 H +ATOM 2799 N ARG C1128 -9.131 -4.450 -28.510 1.00 18.97 N +ATOM 2800 CA AARG C1128 -9.835 -3.186 -28.713 0.70 22.39 C +ATOM 2801 CA BARG C1128 -9.713 -3.183 -28.732 0.30 21.41 C +ATOM 2802 C ARG C1128 -10.399 -3.151 -30.154 1.00 23.22 C +ATOM 2803 O ARG C1128 -9.599 -3.229 -31.090 1.00 28.53 O +ATOM 2804 CB AARG C1128 -8.829 -2.037 -28.478 0.70 23.39 C +ATOM 2805 CB BARG C1128 -8.699 -2.040 -28.684 0.30 20.63 C +ATOM 2806 CG AARG C1128 -9.418 -0.638 -28.743 0.70 26.70 C +ATOM 2807 CG BARG C1128 -9.243 -0.650 -28.986 0.30 20.90 C +ATOM 2808 CD AARG C1128 -8.424 0.499 -28.480 0.70 26.58 C +ATOM 2809 CD BARG C1128 -8.154 0.375 -28.736 0.30 19.81 C +ATOM 2810 NE AARG C1128 -8.871 1.744 -29.122 0.70 23.66 N +ATOM 2811 NE BARG C1128 -7.842 0.363 -27.330 0.30 18.88 N +ATOM 2812 CZ AARG C1128 -8.555 2.999 -28.762 0.70 25.46 C +ATOM 2813 CZ BARG C1128 -8.251 1.269 -26.454 0.30 17.34 C +ATOM 2814 NH1AARG C1128 -7.801 3.251 -27.682 0.70 25.25 N +ATOM 2815 NH1BARG C1128 -8.942 2.343 -26.834 0.30 17.08 N +ATOM 2816 NH2AARG C1128 -9.002 4.020 -29.503 0.70 23.60 N1+ +ATOM 2817 NH2BARG C1128 -7.941 1.098 -25.196 0.30 15.45 N1+ +ATOM 2818 H ARG C1128 -8.166 -4.468 -28.818 1.00 0.00 H +ATOM 2819 HA AARG C1128 -10.605 -3.103 -27.948 0.70 0.00 H +ATOM 2820 HA BARG C1128 -10.435 -3.060 -27.924 0.30 0.00 H +ATOM 2821 HB3AARG C1128 -7.961 -2.172 -29.125 0.70 0.00 H +ATOM 2822 HB3BARG C1128 -7.877 -2.260 -29.365 0.30 0.00 H +ATOM 2823 HB2AARG C1128 -8.450 -2.084 -27.456 0.70 0.00 H +ATOM 2824 HB2BARG C1128 -8.213 -2.032 -27.709 0.30 0.00 H +ATOM 2825 HG3AARG C1128 -10.253 -0.521 -28.053 0.70 0.00 H +ATOM 2826 HG3BARG C1128 -10.093 -0.443 -28.335 0.30 0.00 H +ATOM 2827 HG2AARG C1128 -9.858 -0.543 -29.732 0.70 0.00 H +ATOM 2828 HG2BARG C1128 -9.555 -0.601 -30.029 0.30 0.00 H +ATOM 2829 HD3AARG C1128 -7.386 0.240 -28.687 0.70 0.00 H +ATOM 2830 HD3BARG C1128 -8.514 1.364 -29.019 0.30 0.00 H +ATOM 2831 HD2AARG C1128 -8.482 0.707 -27.411 0.70 0.00 H +ATOM 2832 HD2BARG C1128 -7.265 0.107 -29.307 0.30 0.00 H +ATOM 2833 HE AARG C1128 -9.381 1.616 -29.986 0.70 0.00 H +ATOM 2834 HE BARG C1128 -7.266 -0.409 -27.026 0.30 0.00 H +ATOM 2835 HH12AARG C1128 -7.572 4.200 -27.421 0.70 0.00 H +ATOM 2836 HH12BARG C1128 -9.242 3.019 -26.147 0.30 0.00 H +ATOM 2837 HH11AARG C1128 -7.474 2.489 -27.105 0.70 0.00 H +ATOM 2838 HH11BARG C1128 -9.165 2.481 -27.809 0.30 0.00 H +ATOM 2839 HH22AARG C1128 -8.776 4.972 -29.254 0.70 0.00 H +ATOM 2840 HH22BARG C1128 -8.239 1.773 -24.506 0.30 0.00 H +ATOM 2841 HH21AARG C1128 -9.568 3.847 -30.322 0.70 0.00 H +ATOM 2842 HH21BARG C1128 -7.403 0.291 -24.914 0.30 0.00 H +ATOM 2843 N PRO C1129 -11.738 -3.022 -30.324 1.00 29.86 N +ATOM 2844 CA PRO C1129 -12.364 -2.946 -31.659 1.00 34.09 C +ATOM 2845 C PRO C1129 -12.011 -1.645 -32.411 1.00 35.18 C +ATOM 2846 O PRO C1129 -12.175 -0.559 -31.854 1.00 28.73 O +ATOM 2847 CB PRO C1129 -13.865 -3.074 -31.363 1.00 36.42 C +ATOM 2848 CG PRO C1129 -14.036 -2.533 -29.955 1.00 33.39 C +ATOM 2849 CD PRO C1129 -12.741 -2.926 -29.260 1.00 33.13 C +ATOM 2850 HA PRO C1129 -12.058 -3.803 -32.257 1.00 0.00 H +ATOM 2851 HB3 PRO C1129 -14.144 -4.128 -31.382 1.00 0.00 H +ATOM 2852 HB2 PRO C1129 -14.498 -2.560 -32.087 1.00 0.00 H +ATOM 2853 HG3 PRO C1129 -14.915 -2.928 -29.452 1.00 0.00 H +ATOM 2854 HG2 PRO C1129 -14.122 -1.446 -29.991 1.00 0.00 H +ATOM 2855 HD2 PRO C1129 -12.492 -2.188 -28.497 1.00 0.00 H +ATOM 2856 HD3 PRO C1129 -12.845 -3.902 -28.786 1.00 0.00 H +ATOM 2857 N SER C1130 -11.496 -1.794 -33.644 1.00 38.20 N +ATOM 2858 CA SER C1130 -11.019 -0.694 -34.492 1.00 38.34 C +ATOM 2859 C SER C1130 -11.995 -0.293 -35.614 1.00 40.40 C +ATOM 2860 O SER C1130 -11.799 0.778 -36.189 1.00 38.82 O +ATOM 2861 CB SER C1130 -9.616 -1.052 -35.040 1.00 40.76 C +ATOM 2862 OG SER C1130 -9.651 -1.941 -36.140 1.00 38.28 O +ATOM 2863 H SER C1130 -11.352 -2.728 -34.003 1.00 0.00 H +ATOM 2864 HA SER C1130 -10.899 0.198 -33.878 1.00 0.00 H +ATOM 2865 HB3 SER C1130 -8.989 -1.484 -34.260 1.00 0.00 H +ATOM 2866 HB2 SER C1130 -9.110 -0.145 -35.372 1.00 0.00 H +ATOM 2867 HG SER C1130 -9.888 -2.815 -35.822 1.00 0.00 H +ATOM 2868 N VAL C1131 -12.999 -1.135 -35.918 1.00 36.68 N +ATOM 2869 CA VAL C1131 -13.940 -0.919 -37.022 1.00 38.94 C +ATOM 2870 C VAL C1131 -15.361 -0.641 -36.502 1.00 39.45 C +ATOM 2871 O VAL C1131 -15.947 0.361 -36.912 1.00 36.86 O +ATOM 2872 CB VAL C1131 -13.946 -2.118 -38.016 1.00 39.28 C +ATOM 2873 CG1 VAL C1131 -15.098 -2.112 -39.045 1.00 39.37 C +ATOM 2874 CG2 VAL C1131 -12.605 -2.189 -38.768 1.00 40.05 C +ATOM 2875 H VAL C1131 -13.105 -1.991 -35.394 1.00 0.00 H +ATOM 2876 HA VAL C1131 -13.647 -0.037 -37.595 1.00 0.00 H +ATOM 2877 HB VAL C1131 -14.038 -3.041 -37.441 1.00 0.00 H +ATOM 2878 HG11 VAL C1131 -14.982 -2.919 -39.768 1.00 0.00 H +ATOM 2879 HG12 VAL C1131 -16.071 -2.252 -38.574 1.00 0.00 H +ATOM 2880 HG13 VAL C1131 -15.126 -1.175 -39.601 1.00 0.00 H +ATOM 2881 HG21 VAL C1131 -12.588 -3.022 -39.471 1.00 0.00 H +ATOM 2882 HG22 VAL C1131 -12.422 -1.277 -39.338 1.00 0.00 H +ATOM 2883 HG23 VAL C1131 -11.766 -2.323 -38.086 1.00 0.00 H +ATOM 2884 N ASN C1132 -15.885 -1.504 -35.612 1.00 37.60 N +ATOM 2885 CA ASN C1132 -17.192 -1.306 -34.982 1.00 35.16 C +ATOM 2886 C ASN C1132 -17.030 -0.369 -33.773 1.00 32.84 C +ATOM 2887 O ASN C1132 -16.434 -0.764 -32.771 1.00 24.47 O +ATOM 2888 CB ASN C1132 -17.808 -2.672 -34.587 1.00 35.41 C +ATOM 2889 CG ASN C1132 -19.289 -2.610 -34.176 1.00 36.82 C +ATOM 2890 ND2 ASN C1132 -19.861 -3.756 -33.806 1.00 34.85 N +ATOM 2891 OD1 ASN C1132 -19.918 -1.554 -34.186 1.00 34.73 O +ATOM 2892 H ASN C1132 -15.351 -2.302 -35.303 1.00 0.00 H +ATOM 2893 HA ASN C1132 -17.873 -0.824 -35.687 1.00 0.00 H +ATOM 2894 HB3 ASN C1132 -17.225 -3.144 -33.795 1.00 0.00 H +ATOM 2895 HB2 ASN C1132 -17.753 -3.342 -35.445 1.00 0.00 H +ATOM 2896 HD22 ASN C1132 -20.830 -3.755 -33.512 1.00 0.00 H +ATOM 2897 HD21 ASN C1132 -19.331 -4.618 -33.789 1.00 0.00 H +ATOM 2898 N GLY C1133 -17.581 0.848 -33.900 1.00 30.52 N +ATOM 2899 CA GLY C1133 -17.536 1.886 -32.871 1.00 31.15 C +ATOM 2900 C GLY C1133 -18.518 1.630 -31.714 1.00 25.61 C +ATOM 2901 O GLY C1133 -18.373 2.261 -30.668 1.00 30.57 O +ATOM 2902 H GLY C1133 -18.030 1.098 -34.773 1.00 0.00 H +ATOM 2903 HA3 GLY C1133 -17.788 2.838 -33.338 1.00 0.00 H +ATOM 2904 HA2 GLY C1133 -16.522 1.984 -32.478 1.00 0.00 H +ATOM 2905 N LEU C1134 -19.493 0.719 -31.888 1.00 23.76 N +ATOM 2906 CA LEU C1134 -20.470 0.327 -30.868 1.00 21.31 C +ATOM 2907 C LEU C1134 -20.058 -0.943 -30.099 1.00 18.30 C +ATOM 2908 O LEU C1134 -20.710 -1.262 -29.104 1.00 19.27 O +ATOM 2909 CB LEU C1134 -21.849 0.133 -31.536 1.00 23.26 C +ATOM 2910 CG LEU C1134 -22.472 1.427 -32.107 1.00 24.14 C +ATOM 2911 CD1 LEU C1134 -23.769 1.112 -32.878 1.00 27.32 C +ATOM 2912 CD2 LEU C1134 -22.688 2.507 -31.026 1.00 25.44 C +ATOM 2913 H LEU C1134 -19.564 0.238 -32.774 1.00 0.00 H +ATOM 2914 HA LEU C1134 -20.553 1.114 -30.117 1.00 0.00 H +ATOM 2915 HB3 LEU C1134 -22.553 -0.296 -30.820 1.00 0.00 H +ATOM 2916 HB2 LEU C1134 -21.750 -0.602 -32.334 1.00 0.00 H +ATOM 2917 HG LEU C1134 -21.773 1.834 -32.837 1.00 0.00 H +ATOM 2918 HD11 LEU C1134 -23.767 1.594 -33.856 1.00 0.00 H +ATOM 2919 HD12 LEU C1134 -23.892 0.042 -33.050 1.00 0.00 H +ATOM 2920 HD13 LEU C1134 -24.662 1.449 -32.351 1.00 0.00 H +ATOM 2921 HD21 LEU C1134 -23.630 3.041 -31.154 1.00 0.00 H +ATOM 2922 HD22 LEU C1134 -22.694 2.084 -30.022 1.00 0.00 H +ATOM 2923 HD23 LEU C1134 -21.892 3.250 -31.062 1.00 0.00 H +ATOM 2924 N ALA C1135 -18.993 -1.635 -30.541 1.00 15.94 N +ATOM 2925 CA ALA C1135 -18.418 -2.774 -29.831 1.00 17.04 C +ATOM 2926 C ALA C1135 -17.602 -2.328 -28.611 1.00 16.14 C +ATOM 2927 O ALA C1135 -16.880 -1.333 -28.689 1.00 16.04 O +ATOM 2928 CB ALA C1135 -17.565 -3.606 -30.797 1.00 17.91 C +ATOM 2929 H ALA C1135 -18.483 -1.305 -31.348 1.00 0.00 H +ATOM 2930 HA ALA C1135 -19.230 -3.405 -29.476 1.00 0.00 H +ATOM 2931 HB1 ALA C1135 -17.062 -4.425 -30.282 1.00 0.00 H +ATOM 2932 HB2 ALA C1135 -18.186 -4.047 -31.575 1.00 0.00 H +ATOM 2933 HB3 ALA C1135 -16.801 -2.999 -31.282 1.00 0.00 H +ATOM 2934 N LEU C1136 -17.715 -3.105 -27.524 1.00 14.83 N +ATOM 2935 CA LEU C1136 -16.914 -2.956 -26.310 1.00 15.11 C +ATOM 2936 C LEU C1136 -15.694 -3.895 -26.367 1.00 14.50 C +ATOM 2937 O LEU C1136 -15.616 -4.759 -27.245 1.00 14.69 O +ATOM 2938 CB LEU C1136 -17.797 -3.251 -25.077 1.00 15.26 C +ATOM 2939 CG LEU C1136 -19.041 -2.350 -24.906 1.00 17.21 C +ATOM 2940 CD1 LEU C1136 -19.879 -2.799 -23.689 1.00 17.41 C +ATOM 2941 CD2 LEU C1136 -18.680 -0.852 -24.829 1.00 17.83 C +ATOM 2942 H LEU C1136 -18.336 -3.902 -27.540 1.00 0.00 H +ATOM 2943 HA LEU C1136 -16.534 -1.936 -26.237 1.00 0.00 H +ATOM 2944 HB3 LEU C1136 -17.192 -3.129 -24.185 1.00 0.00 H +ATOM 2945 HB2 LEU C1136 -18.095 -4.298 -25.083 1.00 0.00 H +ATOM 2946 HG LEU C1136 -19.674 -2.488 -25.783 1.00 0.00 H +ATOM 2947 HD11 LEU C1136 -20.942 -2.812 -23.929 1.00 0.00 H +ATOM 2948 HD12 LEU C1136 -19.615 -3.804 -23.359 1.00 0.00 H +ATOM 2949 HD13 LEU C1136 -19.748 -2.141 -22.830 1.00 0.00 H +ATOM 2950 HD21 LEU C1136 -19.278 -0.321 -24.088 1.00 0.00 H +ATOM 2951 HD22 LEU C1136 -17.633 -0.697 -24.566 1.00 0.00 H +ATOM 2952 HD23 LEU C1136 -18.853 -0.365 -25.790 1.00 0.00 H +ATOM 2953 N ALA C1137 -14.747 -3.695 -25.435 1.00 14.21 N +ATOM 2954 CA ALA C1137 -13.483 -4.432 -25.384 1.00 13.93 C +ATOM 2955 C ALA C1137 -13.654 -5.906 -24.983 1.00 14.10 C +ATOM 2956 O ALA C1137 -14.542 -6.245 -24.200 1.00 13.78 O +ATOM 2957 CB ALA C1137 -12.525 -3.724 -24.419 1.00 14.87 C +ATOM 2958 H ALA C1137 -14.891 -3.004 -24.712 1.00 0.00 H +ATOM 2959 HA ALA C1137 -13.042 -4.391 -26.382 1.00 0.00 H +ATOM 2960 HB1 ALA C1137 -11.517 -4.136 -24.490 1.00 0.00 H +ATOM 2961 HB2 ALA C1137 -12.465 -2.659 -24.637 1.00 0.00 H +ATOM 2962 HB3 ALA C1137 -12.848 -3.831 -23.386 1.00 0.00 H +ATOM 2963 N GLU C1138 -12.763 -6.739 -25.532 1.00 13.59 N +ATOM 2964 CA GLU C1138 -12.624 -8.164 -25.241 1.00 14.16 C +ATOM 2965 C GLU C1138 -11.244 -8.387 -24.605 1.00 14.56 C +ATOM 2966 O GLU C1138 -10.345 -7.573 -24.812 1.00 14.37 O +ATOM 2967 CB GLU C1138 -12.776 -8.949 -26.560 1.00 15.53 C +ATOM 2968 CG GLU C1138 -14.175 -8.787 -27.194 1.00 15.95 C +ATOM 2969 CD GLU C1138 -14.297 -9.391 -28.593 1.00 18.74 C +ATOM 2970 OE1 GLU C1138 -13.515 -10.310 -28.917 1.00 17.57 O +ATOM 2971 OE2 GLU C1138 -15.188 -8.915 -29.331 1.00 19.61 O1- +ATOM 2972 H GLU C1138 -12.065 -6.362 -26.160 1.00 0.00 H +ATOM 2973 HA GLU C1138 -13.384 -8.491 -24.531 1.00 0.00 H +ATOM 2974 HB3 GLU C1138 -12.589 -10.008 -26.374 1.00 0.00 H +ATOM 2975 HB2 GLU C1138 -12.010 -8.626 -27.268 1.00 0.00 H +ATOM 2976 HG3 GLU C1138 -14.438 -7.732 -27.275 1.00 0.00 H +ATOM 2977 HG2 GLU C1138 -14.929 -9.244 -26.551 1.00 0.00 H +ATOM 2978 N TYR C1139 -11.102 -9.460 -23.813 1.00 14.08 N +ATOM 2979 CA TYR C1139 -9.880 -9.749 -23.054 1.00 13.69 C +ATOM 2980 C TYR C1139 -9.556 -11.241 -23.109 1.00 13.99 C +ATOM 2981 O TYR C1139 -10.469 -12.055 -23.226 1.00 14.05 O +ATOM 2982 CB TYR C1139 -10.032 -9.288 -21.590 1.00 13.97 C +ATOM 2983 CG TYR C1139 -10.327 -7.811 -21.423 1.00 14.16 C +ATOM 2984 CD1 TYR C1139 -9.276 -6.872 -21.367 1.00 13.85 C +ATOM 2985 CD2 TYR C1139 -11.663 -7.370 -21.349 1.00 14.36 C +ATOM 2986 CE1 TYR C1139 -9.564 -5.498 -21.241 1.00 13.82 C +ATOM 2987 CE2 TYR C1139 -11.943 -6.000 -21.225 1.00 15.00 C +ATOM 2988 CZ TYR C1139 -10.900 -5.061 -21.180 1.00 14.82 C +ATOM 2989 OH TYR C1139 -11.189 -3.732 -21.080 1.00 16.96 O +ATOM 2990 H TYR C1139 -11.872 -10.106 -23.690 1.00 0.00 H +ATOM 2991 HA TYR C1139 -9.040 -9.220 -23.502 1.00 0.00 H +ATOM 2992 HB3 TYR C1139 -9.119 -9.516 -21.038 1.00 0.00 H +ATOM 2993 HB2 TYR C1139 -10.825 -9.855 -21.099 1.00 0.00 H +ATOM 2994 HD1 TYR C1139 -8.249 -7.202 -21.424 1.00 0.00 H +ATOM 2995 HD2 TYR C1139 -12.477 -8.079 -21.397 1.00 0.00 H +ATOM 2996 HE1 TYR C1139 -8.762 -4.777 -21.190 1.00 0.00 H +ATOM 2997 HE2 TYR C1139 -12.962 -5.672 -21.162 1.00 0.00 H +ATOM 2998 HH TYR C1139 -12.142 -3.567 -21.059 1.00 0.00 H +ATOM 2999 N VAL C1140 -8.257 -11.566 -23.007 1.00 13.08 N +ATOM 3000 CA VAL C1140 -7.756 -12.936 -23.040 1.00 13.73 C +ATOM 3001 C VAL C1140 -6.670 -13.105 -21.969 1.00 13.05 C +ATOM 3002 O VAL C1140 -5.639 -12.436 -22.042 1.00 13.16 O +ATOM 3003 CB VAL C1140 -7.132 -13.306 -24.417 1.00 15.16 C +ATOM 3004 CG1 VAL C1140 -6.691 -14.781 -24.497 1.00 15.44 C +ATOM 3005 CG2 VAL C1140 -8.089 -13.002 -25.574 1.00 16.32 C +ATOM 3006 H VAL C1140 -7.560 -10.836 -22.935 1.00 0.00 H +ATOM 3007 HA VAL C1140 -8.565 -13.634 -22.827 1.00 0.00 H +ATOM 3008 HB VAL C1140 -6.241 -12.699 -24.584 1.00 0.00 H +ATOM 3009 HG11 VAL C1140 -6.292 -15.022 -25.483 1.00 0.00 H +ATOM 3010 HG12 VAL C1140 -5.909 -15.017 -23.775 1.00 0.00 H +ATOM 3011 HG13 VAL C1140 -7.532 -15.449 -24.308 1.00 0.00 H +ATOM 3012 HG21 VAL C1140 -7.706 -13.401 -26.508 1.00 0.00 H +ATOM 3013 HG22 VAL C1140 -9.066 -13.446 -25.391 1.00 0.00 H +ATOM 3014 HG23 VAL C1140 -8.228 -11.930 -25.714 1.00 0.00 H +ATOM 3015 N ILE C1141 -6.912 -14.026 -21.024 1.00 13.02 N +ATOM 3016 CA ILE C1141 -5.927 -14.481 -20.042 1.00 13.71 C +ATOM 3017 C ILE C1141 -5.362 -15.846 -20.475 1.00 14.46 C +ATOM 3018 O ILE C1141 -6.006 -16.583 -21.222 1.00 14.94 O +ATOM 3019 CB ILE C1141 -6.545 -14.619 -18.619 1.00 13.85 C +ATOM 3020 CG1 ILE C1141 -7.655 -15.693 -18.524 1.00 14.48 C +ATOM 3021 CG2 ILE C1141 -7.008 -13.240 -18.104 1.00 14.73 C +ATOM 3022 CD1 ILE C1141 -8.350 -15.778 -17.163 1.00 14.34 C +ATOM 3023 H ILE C1141 -7.781 -14.543 -21.049 1.00 0.00 H +ATOM 3024 HA ILE C1141 -5.095 -13.775 -19.987 1.00 0.00 H +ATOM 3025 HB ILE C1141 -5.744 -14.934 -17.947 1.00 0.00 H +ATOM 3026 HG13 ILE C1141 -7.258 -16.682 -18.753 1.00 0.00 H +ATOM 3027 HG12 ILE C1141 -8.401 -15.487 -19.288 1.00 0.00 H +ATOM 3028 HG21 ILE C1141 -7.281 -13.273 -17.049 1.00 0.00 H +ATOM 3029 HG22 ILE C1141 -6.216 -12.497 -18.199 1.00 0.00 H +ATOM 3030 HG23 ILE C1141 -7.874 -12.875 -18.657 1.00 0.00 H +ATOM 3031 HD11 ILE C1141 -8.901 -16.713 -17.064 1.00 0.00 H +ATOM 3032 HD12 ILE C1141 -7.631 -15.730 -16.349 1.00 0.00 H +ATOM 3033 HD13 ILE C1141 -9.055 -14.957 -17.037 1.00 0.00 H +ATOM 3034 N TYR C1142 -4.149 -16.138 -19.990 1.00 16.31 N +ATOM 3035 CA TYR C1142 -3.349 -17.312 -20.344 1.00 17.77 C +ATOM 3036 C TYR C1142 -3.034 -18.177 -19.107 1.00 20.33 C +ATOM 3037 O TYR C1142 -2.251 -19.120 -19.209 1.00 22.49 O +ATOM 3038 CB TYR C1142 -2.086 -16.826 -21.081 1.00 18.57 C +ATOM 3039 CG TYR C1142 -2.403 -16.015 -22.328 1.00 18.39 C +ATOM 3040 CD1 TYR C1142 -2.513 -14.610 -22.245 1.00 20.63 C +ATOM 3041 CD2 TYR C1142 -2.657 -16.661 -23.557 1.00 19.48 C +ATOM 3042 CE1 TYR C1142 -2.878 -13.859 -23.376 1.00 21.25 C +ATOM 3043 CE2 TYR C1142 -3.015 -15.909 -24.693 1.00 20.35 C +ATOM 3044 CZ TYR C1142 -3.131 -14.508 -24.599 1.00 20.90 C +ATOM 3045 OH TYR C1142 -3.500 -13.771 -25.685 1.00 19.63 O +ATOM 3046 H TYR C1142 -3.690 -15.479 -19.374 1.00 0.00 H +ATOM 3047 HA TYR C1142 -3.906 -17.951 -21.029 1.00 0.00 H +ATOM 3048 HB3 TYR C1142 -1.465 -17.673 -21.361 1.00 0.00 H +ATOM 3049 HB2 TYR C1142 -1.472 -16.222 -20.413 1.00 0.00 H +ATOM 3050 HD1 TYR C1142 -2.341 -14.106 -21.305 1.00 0.00 H +ATOM 3051 HD2 TYR C1142 -2.596 -17.736 -23.627 1.00 0.00 H +ATOM 3052 HE1 TYR C1142 -2.976 -12.788 -23.297 1.00 0.00 H +ATOM 3053 HE2 TYR C1142 -3.214 -16.413 -25.627 1.00 0.00 H +ATOM 3054 HH TYR C1142 -3.655 -14.296 -26.479 1.00 0.00 H +ATOM 3055 N ARG C1143 -3.684 -17.857 -17.978 1.00 19.21 N +ATOM 3056 CA ARG C1143 -3.725 -18.627 -16.743 1.00 21.80 C +ATOM 3057 C ARG C1143 -5.198 -18.748 -16.341 1.00 19.73 C +ATOM 3058 O ARG C1143 -5.905 -17.740 -16.333 1.00 19.82 O +ATOM 3059 CB ARG C1143 -2.935 -17.885 -15.638 1.00 24.97 C +ATOM 3060 CG ARG C1143 -1.412 -17.798 -15.858 1.00 27.64 C +ATOM 3061 CD ARG C1143 -0.658 -19.128 -15.677 1.00 31.42 C +ATOM 3062 NE ARG C1143 -0.697 -19.607 -14.288 1.00 32.88 N +ATOM 3063 CZ ARG C1143 0.113 -19.227 -13.286 1.00 35.11 C +ATOM 3064 NH1 ARG C1143 1.103 -18.344 -13.465 1.00 34.97 N +ATOM 3065 NH2 ARG C1143 -0.077 -19.750 -12.070 1.00 35.63 N1+ +ATOM 3066 H ARG C1143 -4.313 -17.066 -18.000 1.00 0.00 H +ATOM 3067 HA ARG C1143 -3.322 -19.629 -16.900 1.00 0.00 H +ATOM 3068 HB3 ARG C1143 -3.124 -18.352 -14.672 1.00 0.00 H +ATOM 3069 HB2 ARG C1143 -3.326 -16.871 -15.547 1.00 0.00 H +ATOM 3070 HG3 ARG C1143 -1.054 -17.127 -15.077 1.00 0.00 H +ATOM 3071 HG2 ARG C1143 -1.144 -17.314 -16.797 1.00 0.00 H +ATOM 3072 HD3 ARG C1143 0.338 -19.125 -16.119 1.00 0.00 H +ATOM 3073 HD2 ARG C1143 -1.209 -19.897 -16.215 1.00 0.00 H +ATOM 3074 HE ARG C1143 -1.468 -20.227 -14.059 1.00 0.00 H +ATOM 3075 HH12 ARG C1143 1.705 -18.107 -12.685 1.00 0.00 H +ATOM 3076 HH11 ARG C1143 1.283 -17.935 -14.375 1.00 0.00 H +ATOM 3077 HH22 ARG C1143 0.495 -19.462 -11.286 1.00 0.00 H +ATOM 3078 HH21 ARG C1143 -0.806 -20.447 -11.927 1.00 0.00 H +ATOM 3079 N GLY C1144 -5.624 -19.965 -15.968 1.00 19.08 N +ATOM 3080 CA GLY C1144 -6.966 -20.229 -15.447 1.00 18.36 C +ATOM 3081 C GLY C1144 -7.151 -19.668 -14.027 1.00 17.99 C +ATOM 3082 O GLY C1144 -8.273 -19.363 -13.628 1.00 17.17 O +ATOM 3083 H GLY C1144 -4.987 -20.750 -15.994 1.00 0.00 H +ATOM 3084 HA3 GLY C1144 -7.111 -21.306 -15.423 1.00 0.00 H +ATOM 3085 HA2 GLY C1144 -7.720 -19.811 -16.113 1.00 0.00 H +ATOM 3086 N GLU C1145 -6.046 -19.484 -13.287 1.00 18.36 N +ATOM 3087 CA GLU C1145 -5.990 -18.860 -11.969 1.00 19.62 C +ATOM 3088 C GLU C1145 -6.268 -17.341 -11.995 1.00 17.74 C +ATOM 3089 O GLU C1145 -6.550 -16.785 -10.937 1.00 17.12 O +ATOM 3090 CB GLU C1145 -4.624 -19.158 -11.306 1.00 21.54 C +ATOM 3091 CG GLU C1145 -4.199 -20.645 -11.285 1.00 26.71 C +ATOM 3092 CD GLU C1145 -3.236 -21.046 -12.410 1.00 29.48 C +ATOM 3093 OE1 GLU C1145 -3.509 -20.714 -13.585 1.00 25.72 O +ATOM 3094 OE2 GLU C1145 -2.205 -21.667 -12.074 1.00 37.28 O1- +ATOM 3095 H GLU C1145 -5.153 -19.798 -13.652 1.00 0.00 H +ATOM 3096 HA GLU C1145 -6.766 -19.322 -11.355 1.00 0.00 H +ATOM 3097 HB3 GLU C1145 -4.660 -18.805 -10.275 1.00 0.00 H +ATOM 3098 HB2 GLU C1145 -3.842 -18.570 -11.787 1.00 0.00 H +ATOM 3099 HG3 GLU C1145 -5.072 -21.295 -11.321 1.00 0.00 H +ATOM 3100 HG2 GLU C1145 -3.709 -20.855 -10.333 1.00 0.00 H +ATOM 3101 N GLN C1146 -6.207 -16.702 -13.180 1.00 16.17 N +ATOM 3102 CA GLN C1146 -6.536 -15.287 -13.392 1.00 16.26 C +ATOM 3103 C GLN C1146 -8.034 -14.987 -13.605 1.00 15.33 C +ATOM 3104 O GLN C1146 -8.361 -13.856 -13.961 1.00 14.70 O +ATOM 3105 CB GLN C1146 -5.616 -14.672 -14.475 1.00 16.17 C +ATOM 3106 CG GLN C1146 -4.215 -14.350 -13.924 1.00 17.01 C +ATOM 3107 CD GLN C1146 -3.294 -13.683 -14.943 1.00 17.11 C +ATOM 3108 NE2 GLN C1146 -3.732 -12.575 -15.544 1.00 17.26 N +ATOM 3109 OE1 GLN C1146 -2.186 -14.163 -15.177 1.00 17.82 O +ATOM 3110 H GLN C1146 -5.979 -17.231 -14.010 1.00 0.00 H +ATOM 3111 HA GLN C1146 -6.306 -14.759 -12.471 1.00 0.00 H +ATOM 3112 HB3 GLN C1146 -6.052 -13.754 -14.866 1.00 0.00 H +ATOM 3113 HB2 GLN C1146 -5.532 -15.345 -15.328 1.00 0.00 H +ATOM 3114 HG3 GLN C1146 -3.743 -15.272 -13.588 1.00 0.00 H +ATOM 3115 HG2 GLN C1146 -4.290 -13.695 -13.055 1.00 0.00 H +ATOM 3116 HE22 GLN C1146 -3.161 -12.114 -16.240 1.00 0.00 H +ATOM 3117 HE21 GLN C1146 -4.647 -12.196 -15.331 1.00 0.00 H +ATOM 3118 N ALA C1147 -8.921 -15.962 -13.339 1.00 14.39 N +ATOM 3119 CA ALA C1147 -10.370 -15.765 -13.328 1.00 14.31 C +ATOM 3120 C ALA C1147 -11.045 -16.647 -12.272 1.00 14.45 C +ATOM 3121 O ALA C1147 -10.578 -17.753 -11.995 1.00 16.25 O +ATOM 3122 CB ALA C1147 -10.954 -16.025 -14.724 1.00 14.11 C +ATOM 3123 H ALA C1147 -8.597 -16.875 -13.053 1.00 0.00 H +ATOM 3124 HA ALA C1147 -10.582 -14.731 -13.057 1.00 0.00 H +ATOM 3125 HB1 ALA C1147 -12.044 -16.000 -14.713 1.00 0.00 H +ATOM 3126 HB2 ALA C1147 -10.629 -15.258 -15.426 1.00 0.00 H +ATOM 3127 HB3 ALA C1147 -10.645 -16.994 -15.116 1.00 0.00 H +ATOM 3128 N TYR C1148 -12.157 -16.129 -11.732 1.00 14.59 N +ATOM 3129 CA TYR C1148 -13.067 -16.820 -10.824 1.00 15.51 C +ATOM 3130 C TYR C1148 -14.500 -16.560 -11.333 1.00 16.05 C +ATOM 3131 O TYR C1148 -14.870 -15.389 -11.429 1.00 15.44 O +ATOM 3132 CB TYR C1148 -12.871 -16.262 -9.398 1.00 16.12 C +ATOM 3133 CG TYR C1148 -13.769 -16.905 -8.354 1.00 16.26 C +ATOM 3134 CD1 TYR C1148 -13.459 -18.186 -7.856 1.00 17.42 C +ATOM 3135 CD2 TYR C1148 -14.922 -16.237 -7.890 1.00 17.00 C +ATOM 3136 CE1 TYR C1148 -14.298 -18.795 -6.903 1.00 16.92 C +ATOM 3137 CE2 TYR C1148 -15.764 -16.850 -6.941 1.00 18.40 C +ATOM 3138 CZ TYR C1148 -15.452 -18.132 -6.448 1.00 19.62 C +ATOM 3139 OH TYR C1148 -16.261 -18.736 -5.532 1.00 20.99 O +ATOM 3140 H TYR C1148 -12.442 -15.195 -11.997 1.00 0.00 H +ATOM 3141 HA TYR C1148 -12.821 -17.879 -10.806 1.00 0.00 H +ATOM 3142 HB3 TYR C1148 -13.018 -15.181 -9.383 1.00 0.00 H +ATOM 3143 HB2 TYR C1148 -11.840 -16.425 -9.089 1.00 0.00 H +ATOM 3144 HD1 TYR C1148 -12.579 -18.706 -8.206 1.00 0.00 H +ATOM 3145 HD2 TYR C1148 -15.158 -15.251 -8.259 1.00 0.00 H +ATOM 3146 HE1 TYR C1148 -14.058 -19.773 -6.517 1.00 0.00 H +ATOM 3147 HE2 TYR C1148 -16.644 -16.331 -6.590 1.00 0.00 H +ATOM 3148 HH TYR C1148 -17.082 -18.255 -5.391 1.00 0.00 H +ATOM 3149 N PRO C1149 -15.275 -17.620 -11.666 1.00 15.62 N +ATOM 3150 CA PRO C1149 -16.651 -17.472 -12.174 1.00 17.72 C +ATOM 3151 C PRO C1149 -17.641 -17.133 -11.046 1.00 19.44 C +ATOM 3152 O PRO C1149 -18.276 -18.038 -10.517 1.00 24.89 O +ATOM 3153 CB PRO C1149 -16.914 -18.836 -12.838 1.00 16.99 C +ATOM 3154 CG PRO C1149 -16.128 -19.824 -11.987 1.00 17.32 C +ATOM 3155 CD PRO C1149 -14.887 -19.033 -11.594 1.00 15.94 C +ATOM 3156 HA PRO C1149 -16.713 -16.684 -12.920 1.00 0.00 H +ATOM 3157 HB3 PRO C1149 -16.512 -18.825 -13.851 1.00 0.00 H +ATOM 3158 HB2 PRO C1149 -17.969 -19.097 -12.915 1.00 0.00 H +ATOM 3159 HG3 PRO C1149 -15.893 -20.755 -12.498 1.00 0.00 H +ATOM 3160 HG2 PRO C1149 -16.699 -20.078 -11.094 1.00 0.00 H +ATOM 3161 HD2 PRO C1149 -14.541 -19.327 -10.601 1.00 0.00 H +ATOM 3162 HD3 PRO C1149 -14.087 -19.218 -12.310 1.00 0.00 H +ATOM 3163 N GLU C1150 -17.706 -15.848 -10.659 1.00 18.31 N +ATOM 3164 CA GLU C1150 -18.335 -15.397 -9.416 1.00 19.29 C +ATOM 3165 C GLU C1150 -19.869 -15.506 -9.376 1.00 17.43 C +ATOM 3166 O GLU C1150 -20.411 -15.802 -8.311 1.00 17.24 O +ATOM 3167 CB GLU C1150 -17.820 -13.985 -9.079 1.00 23.43 C +ATOM 3168 CG GLU C1150 -18.273 -13.475 -7.696 1.00 26.81 C +ATOM 3169 CD GLU C1150 -17.434 -12.298 -7.215 1.00 30.63 C +ATOM 3170 OE1 GLU C1150 -16.220 -12.514 -7.010 1.00 32.67 O +ATOM 3171 OE2 GLU C1150 -18.006 -11.204 -7.022 1.00 31.68 O1- +ATOM 3172 H GLU C1150 -17.156 -15.159 -11.149 1.00 0.00 H +ATOM 3173 HA GLU C1150 -17.968 -16.063 -8.633 1.00 0.00 H +ATOM 3174 HB3 GLU C1150 -18.157 -13.285 -9.845 1.00 0.00 H +ATOM 3175 HB2 GLU C1150 -16.732 -13.979 -9.145 1.00 0.00 H +ATOM 3176 HG3 GLU C1150 -18.176 -14.272 -6.959 1.00 0.00 H +ATOM 3177 HG2 GLU C1150 -19.327 -13.194 -7.715 1.00 0.00 H +ATOM 3178 N TYR C1151 -20.527 -15.294 -10.526 1.00 15.91 N +ATOM 3179 CA TYR C1151 -21.970 -15.463 -10.678 1.00 15.98 C +ATOM 3180 C TYR C1151 -22.255 -16.397 -11.856 1.00 16.09 C +ATOM 3181 O TYR C1151 -21.529 -16.365 -12.849 1.00 15.19 O +ATOM 3182 CB TYR C1151 -22.668 -14.105 -10.910 1.00 15.56 C +ATOM 3183 CG TYR C1151 -22.404 -13.038 -9.863 1.00 16.50 C +ATOM 3184 CD1 TYR C1151 -23.220 -12.944 -8.717 1.00 17.26 C +ATOM 3185 CD2 TYR C1151 -21.336 -12.133 -10.036 1.00 16.85 C +ATOM 3186 CE1 TYR C1151 -22.964 -11.954 -7.748 1.00 16.97 C +ATOM 3187 CE2 TYR C1151 -21.078 -11.147 -9.067 1.00 16.74 C +ATOM 3188 CZ TYR C1151 -21.890 -11.058 -7.921 1.00 17.38 C +ATOM 3189 OH TYR C1151 -21.625 -10.103 -6.985 1.00 19.08 O +ATOM 3190 H TYR C1151 -20.013 -15.055 -11.363 1.00 0.00 H +ATOM 3191 HA TYR C1151 -22.382 -15.916 -9.778 1.00 0.00 H +ATOM 3192 HB3 TYR C1151 -23.747 -14.255 -10.975 1.00 0.00 H +ATOM 3193 HB2 TYR C1151 -22.373 -13.707 -11.878 1.00 0.00 H +ATOM 3194 HD1 TYR C1151 -24.040 -13.634 -8.579 1.00 0.00 H +ATOM 3195 HD2 TYR C1151 -20.703 -12.198 -10.908 1.00 0.00 H +ATOM 3196 HE1 TYR C1151 -23.592 -11.886 -6.871 1.00 0.00 H +ATOM 3197 HE2 TYR C1151 -20.251 -10.465 -9.196 1.00 0.00 H +ATOM 3198 HH TYR C1151 -22.158 -10.192 -6.183 1.00 0.00 H +ATOM 3199 N LEU C1152 -23.349 -17.159 -11.727 1.00 15.10 N +ATOM 3200 CA LEU C1152 -23.972 -17.951 -12.780 1.00 14.63 C +ATOM 3201 C LEU C1152 -25.362 -17.345 -13.011 1.00 14.87 C +ATOM 3202 O LEU C1152 -26.193 -17.387 -12.105 1.00 15.07 O +ATOM 3203 CB LEU C1152 -24.024 -19.431 -12.325 1.00 14.65 C +ATOM 3204 CG LEU C1152 -24.738 -20.416 -13.283 1.00 15.60 C +ATOM 3205 CD1 LEU C1152 -24.022 -20.531 -14.637 1.00 16.06 C +ATOM 3206 CD2 LEU C1152 -24.890 -21.805 -12.635 1.00 15.91 C +ATOM 3207 H LEU C1152 -23.876 -17.106 -10.864 1.00 0.00 H +ATOM 3208 HA LEU C1152 -23.395 -17.881 -13.703 1.00 0.00 H +ATOM 3209 HB3 LEU C1152 -24.518 -19.476 -11.353 1.00 0.00 H +ATOM 3210 HB2 LEU C1152 -23.006 -19.783 -12.150 1.00 0.00 H +ATOM 3211 HG LEU C1152 -25.747 -20.050 -13.476 1.00 0.00 H +ATOM 3212 HD11 LEU C1152 -24.455 -21.323 -15.246 1.00 0.00 H +ATOM 3213 HD12 LEU C1152 -24.087 -19.606 -15.209 1.00 0.00 H +ATOM 3214 HD13 LEU C1152 -22.972 -20.782 -14.500 1.00 0.00 H +ATOM 3215 HD21 LEU C1152 -24.452 -22.596 -13.245 1.00 0.00 H +ATOM 3216 HD22 LEU C1152 -24.407 -21.851 -11.660 1.00 0.00 H +ATOM 3217 HD23 LEU C1152 -25.941 -22.054 -12.492 1.00 0.00 H +ATOM 3218 N ILE C1153 -25.572 -16.774 -14.205 1.00 13.97 N +ATOM 3219 CA ILE C1153 -26.812 -16.119 -14.618 1.00 14.74 C +ATOM 3220 C ILE C1153 -27.527 -17.058 -15.602 1.00 15.34 C +ATOM 3221 O ILE C1153 -26.986 -17.302 -16.678 1.00 15.28 O +ATOM 3222 CB ILE C1153 -26.527 -14.772 -15.360 1.00 14.05 C +ATOM 3223 CG1 ILE C1153 -25.728 -13.780 -14.480 1.00 15.16 C +ATOM 3224 CG2 ILE C1153 -27.808 -14.094 -15.902 1.00 14.65 C +ATOM 3225 CD1 ILE C1153 -25.148 -12.592 -15.263 1.00 15.54 C +ATOM 3226 H ILE C1153 -24.836 -16.790 -14.901 1.00 0.00 H +ATOM 3227 HA ILE C1153 -27.457 -15.920 -13.761 1.00 0.00 H +ATOM 3228 HB ILE C1153 -25.895 -14.992 -16.223 1.00 0.00 H +ATOM 3229 HG13 ILE C1153 -24.897 -14.284 -13.987 1.00 0.00 H +ATOM 3230 HG12 ILE C1153 -26.362 -13.408 -13.678 1.00 0.00 H +ATOM 3231 HG21 ILE C1153 -27.585 -13.143 -16.384 1.00 0.00 H +ATOM 3232 HG22 ILE C1153 -28.321 -14.700 -16.649 1.00 0.00 H +ATOM 3233 HG23 ILE C1153 -28.517 -13.893 -15.099 1.00 0.00 H +ATOM 3234 HD11 ILE C1153 -24.324 -12.138 -14.715 1.00 0.00 H +ATOM 3235 HD12 ILE C1153 -24.766 -12.896 -16.238 1.00 0.00 H +ATOM 3236 HD13 ILE C1153 -25.896 -11.815 -15.421 1.00 0.00 H +ATOM 3237 N THR C1154 -28.726 -17.536 -15.235 1.00 14.78 N +ATOM 3238 CA THR C1154 -29.620 -18.285 -16.122 1.00 15.39 C +ATOM 3239 C THR C1154 -30.651 -17.320 -16.735 1.00 15.01 C +ATOM 3240 O THR C1154 -31.152 -16.440 -16.034 1.00 15.13 O +ATOM 3241 CB THR C1154 -30.399 -19.393 -15.366 1.00 16.05 C +ATOM 3242 CG2 THR C1154 -31.275 -20.289 -16.263 1.00 16.50 C +ATOM 3243 OG1 THR C1154 -29.486 -20.239 -14.693 1.00 17.73 O +ATOM 3244 H THR C1154 -29.114 -17.273 -14.337 1.00 0.00 H +ATOM 3245 HA THR C1154 -29.043 -18.749 -16.920 1.00 0.00 H +ATOM 3246 HB THR C1154 -31.035 -18.934 -14.610 1.00 0.00 H +ATOM 3247 HG21 THR C1154 -31.734 -21.092 -15.685 1.00 0.00 H +ATOM 3248 HG22 THR C1154 -32.087 -19.734 -16.731 1.00 0.00 H +ATOM 3249 HG23 THR C1154 -30.688 -20.749 -17.059 1.00 0.00 H +ATOM 3250 HG1 THR C1154 -29.001 -20.757 -15.341 1.00 0.00 H +ATOM 3251 N TYR C1155 -30.938 -17.491 -18.034 1.00 15.01 N +ATOM 3252 CA TYR C1155 -31.750 -16.559 -18.815 1.00 14.55 C +ATOM 3253 C TYR C1155 -32.263 -17.214 -20.107 1.00 14.37 C +ATOM 3254 O TYR C1155 -31.781 -18.270 -20.512 1.00 15.73 O +ATOM 3255 CB TYR C1155 -30.920 -15.285 -19.129 1.00 14.50 C +ATOM 3256 CG TYR C1155 -29.779 -15.488 -20.114 1.00 13.83 C +ATOM 3257 CD1 TYR C1155 -28.586 -16.103 -19.690 1.00 14.08 C +ATOM 3258 CD2 TYR C1155 -29.924 -15.111 -21.465 1.00 14.21 C +ATOM 3259 CE1 TYR C1155 -27.568 -16.369 -20.619 1.00 13.87 C +ATOM 3260 CE2 TYR C1155 -28.900 -15.373 -22.394 1.00 13.96 C +ATOM 3261 CZ TYR C1155 -27.721 -16.011 -21.970 1.00 13.87 C +ATOM 3262 OH TYR C1155 -26.731 -16.296 -22.860 1.00 14.77 O +ATOM 3263 H TYR C1155 -30.501 -18.241 -18.556 1.00 0.00 H +ATOM 3264 HA TYR C1155 -32.619 -16.281 -18.221 1.00 0.00 H +ATOM 3265 HB3 TYR C1155 -30.519 -14.850 -18.212 1.00 0.00 H +ATOM 3266 HB2 TYR C1155 -31.585 -14.525 -19.539 1.00 0.00 H +ATOM 3267 HD1 TYR C1155 -28.456 -16.396 -18.660 1.00 0.00 H +ATOM 3268 HD2 TYR C1155 -30.834 -14.637 -21.794 1.00 0.00 H +ATOM 3269 HE1 TYR C1155 -26.674 -16.861 -20.289 1.00 0.00 H +ATOM 3270 HE2 TYR C1155 -29.027 -15.094 -23.429 1.00 0.00 H +ATOM 3271 HH TYR C1155 -26.927 -16.016 -23.761 1.00 0.00 H +ATOM 3272 N GLN C1156 -33.199 -16.511 -20.755 1.00 14.87 N +ATOM 3273 CA GLN C1156 -33.580 -16.695 -22.152 1.00 15.98 C +ATOM 3274 C GLN C1156 -33.279 -15.389 -22.900 1.00 16.14 C +ATOM 3275 O GLN C1156 -33.443 -14.316 -22.320 1.00 15.70 O +ATOM 3276 CB GLN C1156 -35.094 -16.977 -22.236 1.00 17.89 C +ATOM 3277 CG GLN C1156 -35.531 -18.334 -21.649 1.00 18.70 C +ATOM 3278 CD GLN C1156 -37.045 -18.410 -21.428 1.00 19.71 C +ATOM 3279 NE2 GLN C1156 -37.643 -19.580 -21.651 1.00 22.03 N +ATOM 3280 OE1 GLN C1156 -37.675 -17.433 -21.028 1.00 21.61 O +ATOM 3281 H GLN C1156 -33.571 -15.676 -20.319 1.00 0.00 H +ATOM 3282 HA GLN C1156 -33.016 -17.511 -22.605 1.00 0.00 H +ATOM 3283 HB3 GLN C1156 -35.418 -16.940 -23.277 1.00 0.00 H +ATOM 3284 HB2 GLN C1156 -35.617 -16.161 -21.735 1.00 0.00 H +ATOM 3285 HG3 GLN C1156 -35.059 -18.496 -20.681 1.00 0.00 H +ATOM 3286 HG2 GLN C1156 -35.198 -19.146 -22.297 1.00 0.00 H +ATOM 3287 HE22 GLN C1156 -38.634 -19.678 -21.489 1.00 0.00 H +ATOM 3288 HE21 GLN C1156 -37.121 -20.377 -21.995 1.00 0.00 H +ATOM 3289 N ILE C1157 -32.917 -15.486 -24.190 1.00 16.14 N +ATOM 3290 CA ILE C1157 -33.001 -14.348 -25.112 1.00 17.10 C +ATOM 3291 C ILE C1157 -34.479 -14.088 -25.485 1.00 17.19 C +ATOM 3292 O ILE C1157 -35.272 -15.031 -25.474 1.00 17.32 O +ATOM 3293 CB ILE C1157 -32.163 -14.564 -26.406 1.00 17.35 C +ATOM 3294 CG1 ILE C1157 -32.516 -15.816 -27.243 1.00 16.72 C +ATOM 3295 CG2 ILE C1157 -30.654 -14.517 -26.112 1.00 17.28 C +ATOM 3296 CD1 ILE C1157 -32.115 -15.690 -28.722 1.00 17.18 C +ATOM 3297 H ILE C1157 -32.817 -16.400 -24.613 1.00 0.00 H +ATOM 3298 HA ILE C1157 -32.624 -13.454 -24.612 1.00 0.00 H +ATOM 3299 HB ILE C1157 -32.367 -13.702 -27.039 1.00 0.00 H +ATOM 3300 HG13 ILE C1157 -33.579 -16.036 -27.204 1.00 0.00 H +ATOM 3301 HG12 ILE C1157 -32.028 -16.689 -26.810 1.00 0.00 H +ATOM 3302 HG21 ILE C1157 -30.063 -14.592 -27.025 1.00 0.00 H +ATOM 3303 HG22 ILE C1157 -30.384 -13.577 -25.634 1.00 0.00 H +ATOM 3304 HG23 ILE C1157 -30.348 -15.332 -25.455 1.00 0.00 H +ATOM 3305 HD11 ILE C1157 -32.615 -16.451 -29.319 1.00 0.00 H +ATOM 3306 HD12 ILE C1157 -32.392 -14.720 -29.136 1.00 0.00 H +ATOM 3307 HD13 ILE C1157 -31.041 -15.815 -28.857 1.00 0.00 H +ATOM 3308 N MET C1158 -34.831 -12.823 -25.769 1.00 17.51 N +ATOM 3309 CA MET C1158 -36.202 -12.422 -26.105 1.00 19.83 C +ATOM 3310 C MET C1158 -36.313 -12.051 -27.586 1.00 21.02 C +ATOM 3311 O MET C1158 -35.430 -11.383 -28.120 1.00 21.65 O +ATOM 3312 CB MET C1158 -36.649 -11.236 -25.228 1.00 22.44 C +ATOM 3313 CG MET C1158 -36.723 -11.585 -23.735 1.00 25.74 C +ATOM 3314 SD MET C1158 -37.388 -10.271 -22.678 1.00 28.97 S +ATOM 3315 CE MET C1158 -39.144 -10.350 -23.117 1.00 31.09 C +ATOM 3316 H MET C1158 -34.143 -12.083 -25.742 1.00 0.00 H +ATOM 3317 HA MET C1158 -36.898 -13.242 -25.917 1.00 0.00 H +ATOM 3318 HB3 MET C1158 -37.627 -10.890 -25.562 1.00 0.00 H +ATOM 3319 HB2 MET C1158 -35.973 -10.391 -25.366 1.00 0.00 H +ATOM 3320 HG3 MET C1158 -35.725 -11.828 -23.375 1.00 0.00 H +ATOM 3321 HG2 MET C1158 -37.327 -12.481 -23.587 1.00 0.00 H +ATOM 3322 HE1 MET C1158 -39.717 -9.676 -22.481 1.00 0.00 H +ATOM 3323 HE2 MET C1158 -39.300 -10.055 -24.154 1.00 0.00 H +ATOM 3324 HE3 MET C1158 -39.527 -11.362 -22.978 1.00 0.00 H +ATOM 3325 N ARG C1159 -37.433 -12.463 -28.200 1.00 23.33 N +ATOM 3326 CA ARG C1159 -37.815 -12.154 -29.577 1.00 26.04 C +ATOM 3327 C ARG C1159 -38.238 -10.670 -29.677 1.00 26.29 C +ATOM 3328 O ARG C1159 -39.190 -10.300 -28.986 1.00 27.06 O +ATOM 3329 CB ARG C1159 -38.984 -13.096 -29.941 1.00 27.80 C +ATOM 3330 CG ARG C1159 -39.433 -13.011 -31.413 1.00 30.78 C +ATOM 3331 CD ARG C1159 -40.697 -13.834 -31.709 1.00 32.08 C +ATOM 3332 NE ARG C1159 -40.478 -15.285 -31.616 1.00 34.66 N +ATOM 3333 CZ ARG C1159 -40.043 -16.087 -32.604 1.00 35.96 C +ATOM 3334 NH1 ARG C1159 -39.735 -15.597 -33.814 1.00 38.78 N +ATOM 3335 NH2 ARG C1159 -39.919 -17.401 -32.378 1.00 37.75 N1+ +ATOM 3336 H ARG C1159 -38.109 -13.003 -27.675 1.00 0.00 H +ATOM 3337 HA ARG C1159 -36.983 -12.396 -30.234 1.00 0.00 H +ATOM 3338 HB3 ARG C1159 -39.832 -12.881 -29.289 1.00 0.00 H +ATOM 3339 HB2 ARG C1159 -38.700 -14.127 -29.725 1.00 0.00 H +ATOM 3340 HG3 ARG C1159 -38.607 -13.404 -32.008 1.00 0.00 H +ATOM 3341 HG2 ARG C1159 -39.588 -11.987 -31.754 1.00 0.00 H +ATOM 3342 HD3 ARG C1159 -41.220 -13.519 -32.612 1.00 0.00 H +ATOM 3343 HD2 ARG C1159 -41.395 -13.642 -30.893 1.00 0.00 H +ATOM 3344 HE ARG C1159 -40.622 -15.688 -30.697 1.00 0.00 H +ATOM 3345 HH12 ARG C1159 -39.402 -16.207 -34.547 1.00 0.00 H +ATOM 3346 HH11 ARG C1159 -39.829 -14.609 -33.994 1.00 0.00 H +ATOM 3347 HH22 ARG C1159 -39.569 -18.013 -33.101 1.00 0.00 H +ATOM 3348 HH21 ARG C1159 -40.156 -17.793 -31.475 1.00 0.00 H +ATOM 3349 N PRO C1160 -37.543 -9.842 -30.498 1.00 27.31 N +ATOM 3350 CA PRO C1160 -37.939 -8.439 -30.748 1.00 28.29 C +ATOM 3351 C PRO C1160 -39.386 -8.268 -31.246 1.00 32.65 C +ATOM 3352 O PRO C1160 -39.760 -8.849 -32.265 1.00 32.20 O +ATOM 3353 CB PRO C1160 -36.914 -7.938 -31.779 1.00 29.42 C +ATOM 3354 CG PRO C1160 -35.692 -8.799 -31.536 1.00 27.68 C +ATOM 3355 CD PRO C1160 -36.306 -10.156 -31.215 1.00 27.04 C +ATOM 3356 HA PRO C1160 -37.794 -7.896 -29.812 1.00 0.00 H +ATOM 3357 HB3 PRO C1160 -36.698 -6.874 -31.675 1.00 0.00 H +ATOM 3358 HB2 PRO C1160 -37.265 -8.102 -32.799 1.00 0.00 H +ATOM 3359 HG3 PRO C1160 -35.153 -8.422 -30.666 1.00 0.00 H +ATOM 3360 HG2 PRO C1160 -35.000 -8.812 -32.376 1.00 0.00 H +ATOM 3361 HD2 PRO C1160 -36.556 -10.694 -32.130 1.00 0.00 H +ATOM 3362 HD3 PRO C1160 -35.607 -10.762 -30.643 1.00 0.00 H +ATOM 3363 N GLU C1161 -40.161 -7.488 -30.480 1.00 39.78 N +ATOM 3364 CA GLU C1161 -41.565 -7.163 -30.728 1.00 46.53 C +ATOM 3365 C GLU C1161 -41.708 -5.902 -31.609 1.00 47.35 C +ATOM 3366 O GLU C1161 -40.713 -5.381 -32.116 1.00 47.13 O +ATOM 3367 CB GLU C1161 -42.255 -7.038 -29.349 1.00 51.83 C +ATOM 3368 CG GLU C1161 -41.794 -5.840 -28.490 1.00 56.20 C +ATOM 3369 CD GLU C1161 -42.369 -5.899 -27.077 1.00 62.95 C +ATOM 3370 OE1 GLU C1161 -41.890 -6.766 -26.311 1.00 64.49 O +ATOM 3371 OE2 GLU C1161 -43.262 -5.075 -26.785 1.00 68.43 O1- +ATOM 3372 H GLU C1161 -39.760 -7.057 -29.660 1.00 0.00 H +ATOM 3373 HA GLU C1161 -42.031 -7.991 -31.265 1.00 0.00 H +ATOM 3374 HB3 GLU C1161 -42.089 -7.965 -28.797 1.00 0.00 H +ATOM 3375 HB2 GLU C1161 -43.336 -6.983 -29.488 1.00 0.00 H +ATOM 3376 HG3 GLU C1161 -42.085 -4.897 -28.954 1.00 0.00 H +ATOM 3377 HG2 GLU C1161 -40.707 -5.820 -28.405 1.00 0.00 H +ATOM 3378 N NME C1161A -42.957 -5.442 -31.777 1.00 0.00 N +ATOM 3379 CH3 NME C1161A -43.273 -4.247 -32.546 1.00 0.00 C +ATOM 3380 H NME C1161A -43.726 -5.918 -31.327 1.00 0.00 H +ATOM 3381 HH31 NME C1161A -42.676 -4.182 -33.457 1.00 0.00 H +ATOM 3382 HH32 NME C1161A -44.325 -4.259 -32.831 1.00 0.00 H +ATOM 3383 HH33 NME C1161A -43.093 -3.352 -31.949 1.00 0.00 H +TER 3384 NME C1161A +HETATM 3385 ZN ZN A2113 -34.307 -24.797 -27.897 1.00 22.16 Zn2+ +HETATM 3386 O AHOH A3001 -17.099 -28.398 -7.119 0.70 26.57 O +HETATM 3387 O BHOH A3001 -16.600 -29.046 -7.091 0.30 18.64 O +HETATM 3388 H1 AHOH A3001 -16.349 -28.008 -7.657 0.70 0.00 H +HETATM 3389 H1 BHOH A3001 -15.965 -28.409 -6.458 0.30 0.00 H +HETATM 3390 H2 AHOH A3001 -17.943 -28.371 -7.657 0.70 0.00 H +HETATM 3391 H2 BHOH A3001 -17.233 -29.682 -6.454 0.30 0.00 H +HETATM 3392 O HOH A3002 -14.746 -31.525 -3.577 1.00 43.18 O +HETATM 3393 H1 HOH A3002 -15.540 -31.417 -2.978 1.00 0.00 H +HETATM 3394 H2 HOH A3002 -14.073 -32.118 -3.134 1.00 0.00 H +HETATM 3395 O HOH A3003 -15.412 -32.639 -6.367 1.00 45.84 O +HETATM 3396 H1 HOH A3003 -16.036 -33.410 -6.242 1.00 0.00 H +HETATM 3397 H2 HOH A3003 -15.158 -32.267 -5.472 1.00 0.00 H +HETATM 3398 O HOH A3005 -15.982 -24.532 -0.529 1.00 27.72 O +HETATM 3399 H1 HOH A3005 -16.450 -25.085 -1.221 1.00 0.00 H +HETATM 3400 H2 HOH A3005 -16.662 -24.000 -0.022 1.00 0.00 H +HETATM 3401 O HOH A3006 -18.742 -23.369 -0.385 1.00 39.62 O +HETATM 3402 H1 HOH A3006 -18.798 -23.171 -1.365 1.00 0.00 H +HETATM 3403 H2 HOH A3006 -19.585 -23.818 -0.088 1.00 0.00 H +HETATM 3404 O HOH A3007 -29.296 -23.038 -5.312 1.00 25.91 O +HETATM 3405 H1 HOH A3007 -28.415 -22.928 -4.849 1.00 0.00 H +HETATM 3406 H2 HOH A3007 -29.646 -22.136 -5.578 1.00 0.00 H +HETATM 3407 O HOH A3008 -30.304 -20.790 -2.780 1.00 23.18 O +HETATM 3408 H1 HOH A3008 -31.165 -20.404 -2.449 1.00 0.00 H +HETATM 3409 H2 HOH A3008 -30.455 -21.734 -3.076 1.00 0.00 H +HETATM 3410 O HOH A3009 -28.896 -14.873 -1.319 1.00 32.20 O +HETATM 3411 H1 HOH A3009 -29.214 -15.418 -2.098 1.00 0.00 H +HETATM 3412 H2 HOH A3009 -29.053 -15.381 -0.472 1.00 0.00 H +HETATM 3413 O HOH A3010 -31.660 -17.945 -1.538 1.00 37.21 O +HETATM 3414 H1 HOH A3010 -31.033 -17.493 -2.175 1.00 0.00 H +HETATM 3415 H2 HOH A3010 -31.162 -18.204 -0.709 1.00 0.00 H +HETATM 3416 O HOH A3011 -31.910 -23.107 -7.015 1.00 46.84 O +HETATM 3417 H1 HOH A3011 -32.005 -22.156 -6.711 1.00 0.00 H +HETATM 3418 H2 HOH A3011 -31.221 -23.565 -6.451 1.00 0.00 H +HETATM 3419 O HOH A3012 -34.102 -18.006 -7.634 1.00 29.14 O +HETATM 3420 H1 HOH A3012 -33.605 -18.819 -7.320 1.00 0.00 H +HETATM 3421 H2 HOH A3012 -34.661 -18.245 -8.432 1.00 0.00 H +HETATM 3422 O HOH A3013 -34.566 -19.892 -4.652 1.00 29.35 O +HETATM 3423 H1 HOH A3013 -33.850 -19.996 -5.346 1.00 0.00 H +HETATM 3424 H2 HOH A3013 -34.466 -19.003 -4.201 1.00 0.00 H +HETATM 3425 O HOH A3014 -32.365 -15.759 -8.593 1.00 17.76 O +HETATM 3426 H1 HOH A3014 -32.858 -16.543 -8.210 1.00 0.00 H +HETATM 3427 H2 HOH A3014 -32.163 -15.105 -7.861 1.00 0.00 H +HETATM 3428 O HOH A3015 -34.690 -15.946 -5.635 1.00 28.90 O +HETATM 3429 H1 HOH A3015 -34.553 -16.640 -6.345 1.00 0.00 H +HETATM 3430 H2 HOH A3015 -34.472 -16.340 -4.740 1.00 0.00 H +HETATM 3431 O HOH A3016 -30.408 -12.348 -1.876 1.00 31.80 O +HETATM 3432 H1 HOH A3016 -29.822 -13.130 -1.654 1.00 0.00 H +HETATM 3433 H2 HOH A3016 -29.835 -11.567 -2.139 1.00 0.00 H +HETATM 3434 O HOH A3017 -35.593 -7.519 -9.992 1.00 26.29 O +HETATM 3435 H1 HOH A3017 -34.848 -7.234 -10.598 1.00 0.00 H +HETATM 3436 H2 HOH A3017 -35.244 -7.618 -9.059 1.00 0.00 H +HETATM 3437 O HOH A3018 -32.767 -3.407 -3.050 1.00 60.72 O +HETATM 3438 H1 HOH A3018 -33.013 -4.366 -3.201 1.00 0.00 H +HETATM 3439 H2 HOH A3018 -31.867 -3.360 -2.616 1.00 0.00 H +HETATM 3440 O HOH A3019 -35.573 -3.578 -4.416 1.00 43.70 O +HETATM 3441 H1 HOH A3019 -34.750 -3.270 -3.935 1.00 0.00 H +HETATM 3442 H2 HOH A3019 -36.091 -4.197 -3.825 1.00 0.00 H +HETATM 3443 O HOH A3020 -30.289 -5.581 -1.045 1.00 32.25 O +HETATM 3444 H1 HOH A3020 -29.827 -6.449 -1.238 1.00 0.00 H +HETATM 3445 H2 HOH A3020 -31.051 -5.742 -0.418 1.00 0.00 H +HETATM 3446 O HOH A3021 -26.885 -7.661 -0.575 1.00 55.76 O +HETATM 3447 H1 HOH A3021 -27.589 -7.719 -1.289 1.00 0.00 H +HETATM 3448 H2 HOH A3021 -26.760 -8.564 -0.163 1.00 0.00 H +HETATM 3449 O HOH A3022 -26.377 -10.852 -1.385 1.00 38.38 O +HETATM 3450 H1 HOH A3022 -25.612 -10.488 -1.924 1.00 0.00 H +HETATM 3451 H2 HOH A3022 -27.241 -10.615 -1.837 1.00 0.00 H +HETATM 3452 O HOH A3023 -28.550 -2.269 -7.423 1.00 22.08 O +HETATM 3453 H1 HOH A3023 -28.275 -3.211 -7.221 1.00 0.00 H +HETATM 3454 H2 HOH A3023 -28.130 -1.650 -6.759 1.00 0.00 H +HETATM 3455 O HOH A3024 -23.032 -4.906 0.480 1.00 54.12 O +HETATM 3456 H1 HOH A3024 -23.175 -5.694 -0.121 1.00 0.00 H +HETATM 3457 H2 HOH A3024 -22.219 -5.060 1.042 1.00 0.00 H +HETATM 3458 O HOH A3025 -24.123 -7.210 -1.554 1.00 48.06 O +HETATM 3459 H1 HOH A3025 -23.970 -8.035 -2.103 1.00 0.00 H +HETATM 3460 H2 HOH A3025 -25.049 -7.237 -1.173 1.00 0.00 H +HETATM 3461 O HOH A3026 -28.834 -1.740 -10.366 1.00 25.62 O +HETATM 3462 H1 HOH A3026 -29.699 -1.700 -10.869 1.00 0.00 H +HETATM 3463 H2 HOH A3026 -29.018 -1.910 -9.395 1.00 0.00 H +HETATM 3464 O HOH A3027 -31.823 -4.322 -12.631 1.00 24.71 O +HETATM 3465 H1 HOH A3027 -30.901 -4.644 -12.404 1.00 0.00 H +HETATM 3466 H2 HOH A3027 -31.880 -3.338 -12.454 1.00 0.00 H +HETATM 3467 O HOH A3028 -24.431 -2.508 -12.818 1.00 19.64 O +HETATM 3468 H1 HOH A3028 -24.707 -3.467 -12.722 1.00 0.00 H +HETATM 3469 H2 HOH A3028 -24.952 -1.946 -12.172 1.00 0.00 H +HETATM 3470 O HOH A3029 -33.306 -6.732 -11.672 1.00 26.62 O +HETATM 3471 H1 HOH A3029 -32.902 -5.896 -12.050 1.00 0.00 H +HETATM 3472 H2 HOH A3029 -33.230 -7.471 -12.346 1.00 0.00 H +HETATM 3473 O HOH A3030 -35.617 -10.158 -13.298 1.00 37.31 O +HETATM 3474 H1 HOH A3030 -34.777 -9.629 -13.445 1.00 0.00 H +HETATM 3475 H2 HOH A3030 -35.419 -10.937 -12.703 1.00 0.00 H +HETATM 3476 O HOH A3031 -34.192 -5.600 -16.595 1.00 42.77 O +HETATM 3477 H1 HOH A3031 -34.060 -6.522 -16.221 1.00 0.00 H +HETATM 3478 H2 HOH A3031 -33.471 -4.996 -16.248 1.00 0.00 H +HETATM 3479 O HOH A3032 -35.332 -9.951 -17.078 1.00 25.14 O +HETATM 3480 H1 HOH A3032 -34.787 -9.333 -16.504 1.00 0.00 H +HETATM 3481 H2 HOH A3032 -36.183 -9.495 -17.341 1.00 0.00 H +HETATM 3482 O HOH A3033 -31.934 -3.945 -15.593 1.00 26.47 O +HETATM 3483 H1 HOH A3033 -31.460 -3.064 -15.675 1.00 0.00 H +HETATM 3484 H2 HOH A3033 -31.948 -4.223 -14.631 1.00 0.00 H +HETATM 3485 O HOH A3034 -24.439 -1.432 -15.567 1.00 27.21 O +HETATM 3486 H1 HOH A3034 -24.520 -1.715 -14.609 1.00 0.00 H +HETATM 3487 H2 HOH A3034 -23.696 -1.948 -16.002 1.00 0.00 H +HETATM 3488 O HOH A3035 -22.837 -1.160 -18.747 1.00 34.73 O +HETATM 3489 H1 HOH A3035 -22.481 -1.732 -18.004 1.00 0.00 H +HETATM 3490 H2 HOH A3035 -23.834 -1.252 -18.783 1.00 0.00 H +HETATM 3491 O HOH A3036 -20.554 -1.075 -15.108 1.00 35.90 O +HETATM 3492 H1 HOH A3036 -21.074 -1.762 -15.622 1.00 0.00 H +HETATM 3493 H2 HOH A3036 -21.143 -0.290 -14.918 1.00 0.00 H +HETATM 3494 O HOH A3037 -18.536 -5.325 -18.750 1.00 25.21 O +HETATM 3495 H1 HOH A3037 -18.877 -5.682 -19.621 1.00 0.00 H +HETATM 3496 H2 HOH A3037 -19.277 -4.836 -18.281 1.00 0.00 H +HETATM 3497 O HOH A3038 -19.799 -2.031 -19.499 1.00 48.75 O +HETATM 3498 H1 HOH A3038 -20.583 -1.411 -19.543 1.00 0.00 H +HETATM 3499 H2 HOH A3038 -19.983 -2.749 -18.824 1.00 0.00 H +HETATM 3500 O HOH A3039 -18.710 -4.915 -15.440 1.00 22.35 O +HETATM 3501 H1 HOH A3039 -18.232 -5.748 -15.727 1.00 0.00 H +HETATM 3502 H2 HOH A3039 -19.381 -4.659 -16.140 1.00 0.00 H +HETATM 3503 O HOH A3040 -31.181 -4.844 -23.143 1.00 24.98 O +HETATM 3504 H1 HOH A3040 -30.220 -4.779 -22.866 1.00 0.00 H +HETATM 3505 H2 HOH A3040 -31.233 -5.152 -24.094 1.00 0.00 H +HETATM 3506 O HOH A3041 -35.822 -7.295 -20.644 0.50 22.95 O +HETATM 3507 H1 HOH A3041 -35.336 -6.529 -20.218 1.00 0.00 H +HETATM 3508 H2 HOH A3041 -35.207 -8.084 -20.710 1.00 0.00 H +HETATM 3509 O HOH A3042 -28.282 -2.542 -24.553 1.00 35.67 O +HETATM 3510 H1 HOH A3042 -28.100 -1.622 -24.200 1.00 0.00 H +HETATM 3511 H2 HOH A3042 -27.504 -2.845 -25.107 1.00 0.00 H +HETATM 3512 O HOH A3043 -27.417 0.140 -23.407 1.00 44.03 O +HETATM 3513 H1 HOH A3043 -26.641 -0.382 -23.049 1.00 0.00 H +HETATM 3514 H2 HOH A3043 -27.385 1.073 -23.047 1.00 0.00 H +HETATM 3515 O HOH A3044 -27.906 -9.101 -30.055 1.00 23.41 O +HETATM 3516 H1 HOH A3044 -28.857 -8.968 -29.771 1.00 0.00 H +HETATM 3517 H2 HOH A3044 -27.398 -8.247 -29.926 1.00 0.00 H +HETATM 3518 O HOH A3045 -17.827 -6.123 -33.544 1.00 29.80 O +HETATM 3519 H1 HOH A3045 -17.572 -5.943 -32.594 1.00 0.00 H +HETATM 3520 H2 HOH A3045 -17.000 -6.272 -34.087 1.00 0.00 H +HETATM 3521 O HOH A3046 -17.074 -6.933 -28.621 1.00 19.19 O +HETATM 3522 H1 HOH A3046 -16.588 -6.116 -28.304 1.00 0.00 H +HETATM 3523 H2 HOH A3046 -16.408 -7.652 -28.836 1.00 0.00 H +HETATM 3524 O HOH A3047 -25.539 -2.090 -31.382 1.00 25.44 O +HETATM 3525 H1 HOH A3047 -25.860 -1.645 -32.222 1.00 0.00 H +HETATM 3526 H2 HOH A3047 -26.133 -1.825 -30.621 1.00 0.00 H +HETATM 3527 O HOH A3048 -28.680 -3.436 -29.442 1.00 34.68 O +HETATM 3528 H1 HOH A3048 -28.886 -4.345 -29.811 1.00 0.00 H +HETATM 3529 H2 HOH A3048 -29.128 -3.331 -28.551 1.00 0.00 H +HETATM 3530 O HOH A3049 -22.786 -3.103 -32.625 1.00 27.61 O +HETATM 3531 H1 HOH A3049 -23.253 -3.979 -32.759 1.00 0.00 H +HETATM 3532 H2 HOH A3049 -23.431 -2.441 -32.241 1.00 0.00 H +HETATM 3533 O HOH A3050 -26.546 -0.775 -33.820 1.00 37.63 O +HETATM 3534 H1 HOH A3050 -27.080 -1.518 -34.235 1.00 0.00 H +HETATM 3535 H2 HOH A3050 -26.863 0.102 -34.181 1.00 0.00 H +HETATM 3536 O HOH A3051 -26.442 -6.298 -37.468 1.00 53.98 O +HETATM 3537 H1 HOH A3051 -25.843 -6.929 -36.972 1.00 0.00 H +HETATM 3538 H2 HOH A3051 -26.915 -5.704 -36.816 1.00 0.00 H +HETATM 3539 O HOH A3052 -21.955 -6.637 -40.825 1.00 24.59 O +HETATM 3540 H1 HOH A3052 -22.157 -7.586 -40.576 1.00 0.00 H +HETATM 3541 H2 HOH A3052 -22.699 -6.274 -41.385 1.00 0.00 H +HETATM 3542 O HOH A3056 -20.379 -11.497 -35.092 0.50 16.76 O +HETATM 3543 H1 HOH A3056 -20.113 -11.010 -35.924 1.00 0.00 H +HETATM 3544 H2 HOH A3056 -20.272 -12.483 -35.237 1.00 0.00 H +HETATM 3545 O HOH A3057 -27.477 -14.231 -40.431 1.00 33.49 O +HETATM 3546 H1 HOH A3057 -26.729 -13.664 -40.083 1.00 0.00 H +HETATM 3547 H2 HOH A3057 -28.223 -14.246 -39.761 1.00 0.00 H +HETATM 3548 O HOH A3058 -24.866 -13.222 -32.972 1.00 16.74 O +HETATM 3549 H1 HOH A3058 -25.430 -12.482 -32.602 1.00 0.00 H +HETATM 3550 H2 HOH A3058 -24.576 -12.985 -33.902 1.00 0.00 H +HETATM 3551 O HOH A3059 -20.202 -14.492 -35.544 1.00 28.29 O +HETATM 3552 H1 HOH A3059 -19.817 -15.008 -34.776 1.00 0.00 H +HETATM 3553 H2 HOH A3059 -21.204 -14.508 -35.487 1.00 0.00 H +HETATM 3554 O HOH A3060 -29.497 -14.121 -38.279 1.00 30.78 O +HETATM 3555 H1 HOH A3060 -30.047 -14.671 -37.645 1.00 0.00 H +HETATM 3556 H2 HOH A3060 -29.430 -13.185 -37.931 1.00 0.00 H +HETATM 3557 O HOH A3061 -30.790 -10.057 -39.092 1.00 38.55 O +HETATM 3558 H1 HOH A3061 -30.189 -10.563 -38.471 1.00 0.00 H +HETATM 3559 H2 HOH A3061 -31.074 -9.202 -38.657 1.00 0.00 H +HETATM 3560 O HOH A3062 -29.313 -17.693 -35.141 1.00 25.35 O +HETATM 3561 H1 HOH A3062 -28.996 -18.304 -35.869 1.00 0.00 H +HETATM 3562 H2 HOH A3062 -28.605 -17.012 -34.948 1.00 0.00 H +HETATM 3563 O HOH A3063 -31.036 -15.603 -36.287 1.00 36.79 O +HETATM 3564 H1 HOH A3063 -31.976 -15.931 -36.413 1.00 0.00 H +HETATM 3565 H2 HOH A3063 -30.501 -16.305 -35.813 1.00 0.00 H +HETATM 3566 O HOH A3064 -28.831 -19.470 -37.460 1.00 38.94 O +HETATM 3567 H1 HOH A3064 -29.426 -19.071 -38.159 1.00 0.00 H +HETATM 3568 H2 HOH A3064 -29.298 -20.245 -37.028 1.00 0.00 H +HETATM 3569 O HOH A3067 -26.862 -19.405 -29.910 1.00 23.10 O +HETATM 3570 H1 HOH A3067 -26.214 -19.076 -30.601 1.00 0.00 H +HETATM 3571 H2 HOH A3067 -27.795 -19.196 -30.208 1.00 0.00 H +HETATM 3572 O HOH A3068 -26.728 -11.161 -31.755 1.00 15.72 O +HETATM 3573 H1 HOH A3068 -27.051 -10.375 -31.222 1.00 0.00 H +HETATM 3574 H2 HOH A3068 -27.501 -11.774 -31.935 1.00 0.00 H +HETATM 3575 O HOH A3069 -29.408 -6.115 -30.493 1.00 38.70 O +HETATM 3576 H1 HOH A3069 -29.926 -6.914 -30.180 1.00 0.00 H +HETATM 3577 H2 HOH A3069 -29.862 -5.720 -31.293 1.00 0.00 H +HETATM 3578 O HOH A3070 -32.174 -7.688 -32.530 1.00 40.22 O +HETATM 3579 H1 HOH A3070 -32.823 -7.496 -33.268 1.00 0.00 H +HETATM 3580 H2 HOH A3070 -32.184 -6.930 -31.875 1.00 0.00 H +HETATM 3581 O HOH A3071 -35.701 -8.506 -27.731 1.00 24.75 O +HETATM 3582 H1 HOH A3071 -36.637 -8.273 -27.465 1.00 0.00 H +HETATM 3583 H2 HOH A3071 -35.638 -9.493 -27.894 1.00 0.00 H +HETATM 3584 O HOH A3072 -30.034 -3.502 -26.783 1.00 28.47 O +HETATM 3585 H1 HOH A3072 -29.541 -3.117 -26.001 1.00 0.00 H +HETATM 3586 H2 HOH A3072 -30.638 -4.235 -26.465 1.00 0.00 H +HETATM 3587 O HOH A3073 -37.593 -9.370 -19.260 0.50 25.69 O +HETATM 3588 H1 HOH A3073 -37.026 -8.596 -19.548 1.00 0.00 H +HETATM 3589 H2 HOH A3073 -37.785 -9.951 -20.052 1.00 0.00 H +HETATM 3590 O HOH A3074 -39.322 -8.174 -26.877 1.00 48.21 O +HETATM 3591 H1 HOH A3074 -39.379 -8.959 -27.497 1.00 0.00 H +HETATM 3592 H2 HOH A3074 -40.234 -7.772 -26.768 1.00 0.00 H +HETATM 3593 O HOH A3075 -37.392 -11.706 -15.184 1.00 39.59 O +HETATM 3594 H1 HOH A3075 -37.125 -10.951 -14.582 1.00 0.00 H +HETATM 3595 H2 HOH A3075 -36.574 -12.219 -15.450 1.00 0.00 H +HETATM 3596 O HOH A3076 -39.226 -14.775 -22.093 1.00 30.82 O +HETATM 3597 H1 HOH A3076 -38.786 -15.165 -22.904 1.00 0.00 H +HETATM 3598 H2 HOH A3076 -38.893 -15.246 -21.274 1.00 0.00 H +HETATM 3599 O HOH A3077 -39.899 -17.858 -19.157 1.00 51.89 O +HETATM 3600 H1 HOH A3077 -39.172 -17.495 -19.742 1.00 0.00 H +HETATM 3601 H2 HOH A3077 -39.732 -18.831 -18.985 1.00 0.00 H +HETATM 3602 O HOH A3078 -40.400 -16.178 -16.727 1.00 37.09 O +HETATM 3603 H1 HOH A3078 -40.180 -16.655 -17.580 1.00 0.00 H +HETATM 3604 H2 HOH A3078 -39.587 -15.698 -16.393 1.00 0.00 H +HETATM 3605 O HOH A3079 -35.850 -13.199 -12.236 1.00 37.36 O +HETATM 3606 H1 HOH A3079 -35.431 -13.831 -11.581 1.00 0.00 H +HETATM 3607 H2 HOH A3079 -35.588 -13.461 -13.167 1.00 0.00 H +HETATM 3608 O HOH A3080 -38.284 -14.622 -15.251 1.00 34.36 O +HETATM 3609 H1 HOH A3080 -38.096 -13.652 -15.089 1.00 0.00 H +HETATM 3610 H2 HOH A3080 -38.188 -15.127 -14.390 1.00 0.00 H +HETATM 3611 O HOH A3081 -37.814 -16.058 -12.661 1.00 26.27 O +HETATM 3612 H1 HOH A3081 -36.855 -16.326 -12.554 1.00 0.00 H +HETATM 3613 H2 HOH A3081 -38.111 -15.554 -11.850 1.00 0.00 H +HETATM 3614 O HOH A3082 -35.597 -18.439 -10.145 1.00 31.90 O +HETATM 3615 H1 HOH A3082 -35.339 -17.864 -10.925 1.00 0.00 H +HETATM 3616 H2 HOH A3082 -36.511 -18.814 -10.298 1.00 0.00 H +HETATM 3617 O HOH A3083 -34.898 -14.929 -10.000 1.00 44.04 O +HETATM 3618 H1 HOH A3083 -35.597 -15.199 -9.337 1.00 0.00 H +HETATM 3619 H2 HOH A3083 -33.990 -15.075 -9.602 1.00 0.00 H +HETATM 3620 O HOH A3084 -28.678 -19.156 -12.106 1.00 15.51 O +HETATM 3621 H1 HOH A3084 -28.905 -19.543 -13.002 1.00 0.00 H +HETATM 3622 H2 HOH A3084 -28.051 -19.771 -11.627 1.00 0.00 H +HETATM 3623 O HOH A3085 -35.863 -22.256 -8.812 1.00 31.85 O +HETATM 3624 H1 HOH A3085 -35.932 -21.905 -7.878 1.00 0.00 H +HETATM 3625 H2 HOH A3085 -36.762 -22.575 -9.115 1.00 0.00 H +HETATM 3626 O HOH A3086 -28.600 -23.063 -12.465 1.00 29.79 O +HETATM 3627 H1 HOH A3086 -28.151 -22.530 -11.746 1.00 0.00 H +HETATM 3628 H2 HOH A3086 -28.199 -22.829 -13.352 1.00 0.00 H +HETATM 3629 O HOH A3087 -17.840 -14.040 -4.108 1.00 42.46 O +HETATM 3630 H1 HOH A3087 -17.238 -13.245 -4.016 1.00 0.00 H +HETATM 3631 H2 HOH A3087 -18.021 -14.208 -5.078 1.00 0.00 H +HETATM 3632 O HOH A3088 -16.022 -18.736 -1.992 1.00 45.87 O +HETATM 3633 H1 HOH A3088 -16.040 -17.784 -2.304 1.00 0.00 H +HETATM 3634 H2 HOH A3088 -15.250 -19.209 -2.419 1.00 0.00 H +HETATM 3635 O HOH A3089 -13.300 -25.516 -1.200 1.00 35.93 O +HETATM 3636 H1 HOH A3089 -14.206 -25.241 -0.871 1.00 0.00 H +HETATM 3637 H2 HOH A3089 -13.369 -26.400 -1.664 1.00 0.00 H +HETATM 3638 O HOH A3090 -13.692 -28.184 -5.147 0.50 31.00 O +HETATM 3639 H1 HOH A3090 -13.390 -28.142 -4.192 1.00 0.00 H +HETATM 3640 H2 HOH A3090 -14.039 -29.102 -5.343 1.00 0.00 H +HETATM 3641 O HOH A3091 -6.416 -22.887 -3.200 1.00 34.26 O +HETATM 3642 H1 HOH A3091 -7.253 -22.650 -3.697 1.00 0.00 H +HETATM 3643 H2 HOH A3091 -6.652 -23.156 -2.264 1.00 0.00 H +HETATM 3644 O HOH A3092 -9.434 -27.965 -9.519 1.00 40.90 O +HETATM 3645 H1 HOH A3092 -10.180 -27.432 -9.925 1.00 0.00 H +HETATM 3646 H2 HOH A3092 -9.230 -28.749 -10.106 1.00 0.00 H +HETATM 3647 O HOH A3093 -12.390 -27.126 -7.562 0.50 31.20 O +HETATM 3648 H1 HOH A3093 -13.104 -26.932 -8.236 1.00 0.00 H +HETATM 3649 H2 HOH A3093 -12.817 -27.456 -6.717 1.00 0.00 H +HETATM 3650 O HOH A3094 -9.248 -19.743 -9.672 1.00 33.03 O +HETATM 3651 H1 HOH A3094 -9.563 -19.613 -8.730 1.00 0.00 H +HETATM 3652 H2 HOH A3094 -9.277 -18.868 -10.157 1.00 0.00 H +HETATM 3653 O HOH A3095 -10.528 -12.559 -0.031 1.00 41.03 O +HETATM 3654 H1 HOH A3095 -10.604 -11.759 -0.630 1.00 0.00 H +HETATM 3655 H2 HOH A3095 -10.809 -12.306 0.896 1.00 0.00 H +HETATM 3656 O HOH A3096 -4.122 -20.970 -3.054 1.00 31.62 O +HETATM 3657 H1 HOH A3096 -4.825 -21.683 -3.039 1.00 0.00 H +HETATM 3658 H2 HOH A3096 -4.561 -20.071 -3.074 1.00 0.00 H +HETATM 3659 O HOH A3097 -4.738 -17.004 -1.178 1.00 38.48 O +HETATM 3660 H1 HOH A3097 -5.147 -17.319 -2.036 1.00 0.00 H +HETATM 3661 H2 HOH A3097 -5.188 -17.459 -0.409 1.00 0.00 H +HETATM 3662 O HOH A3098 -7.376 -23.509 -0.460 1.00 47.63 O +HETATM 3663 H1 HOH A3098 -7.678 -22.674 0.010 1.00 0.00 H +HETATM 3664 H2 HOH A3098 -7.007 -24.150 0.213 1.00 0.00 H +HETATM 3665 O HOH A3099 -2.921 -19.649 -7.849 1.00 21.09 O +HETATM 3666 H1 HOH A3099 -3.754 -19.120 -7.679 1.00 0.00 H +HETATM 3667 H2 HOH A3099 -2.766 -20.280 -7.086 1.00 0.00 H +HETATM 3668 O HOH A3100 -8.872 -26.094 -12.789 1.00 43.67 O +HETATM 3669 H1 HOH A3100 -8.853 -26.402 -13.744 1.00 0.00 H +HETATM 3670 H2 HOH A3100 -9.824 -25.992 -12.494 1.00 0.00 H +HETATM 3671 O HOH A3101 -8.961 -22.258 -11.645 1.00 38.02 O +HETATM 3672 H1 HOH A3101 -8.834 -21.276 -11.502 1.00 0.00 H +HETATM 3673 H2 HOH A3101 -8.869 -22.467 -12.621 1.00 0.00 H +HETATM 3674 O HOH A3102 -5.830 -13.643 -10.276 1.00 17.85 O +HETATM 3675 H1 HOH A3102 -6.187 -12.708 -10.254 1.00 0.00 H +HETATM 3676 H2 HOH A3102 -6.083 -14.117 -9.431 1.00 0.00 H +HETATM 3677 O HOH A3103 -5.111 -10.768 -3.852 1.00 23.03 O +HETATM 3678 H1 HOH A3103 -5.391 -10.743 -2.891 1.00 0.00 H +HETATM 3679 H2 HOH A3103 -4.694 -11.657 -4.052 1.00 0.00 H +HETATM 3680 O HOH A3104 -3.587 -14.232 -1.421 1.00 48.93 O +HETATM 3681 H1 HOH A3104 -4.079 -15.091 -1.264 1.00 0.00 H +HETATM 3682 H2 HOH A3104 -3.814 -13.883 -2.331 1.00 0.00 H +HETATM 3683 O HOH A3105 -8.591 -14.962 -0.059 1.00 37.29 O +HETATM 3684 H1 HOH A3105 -9.226 -14.189 -0.003 1.00 0.00 H +HETATM 3685 H2 HOH A3105 -8.735 -15.568 0.724 1.00 0.00 H +HETATM 3686 O HOH A3106 0.456 -14.965 -3.555 1.00 35.14 O +HETATM 3687 H1 HOH A3106 -0.029 -15.264 -2.731 1.00 0.00 H +HETATM 3688 H2 HOH A3106 -0.139 -15.078 -4.353 1.00 0.00 H +HETATM 3689 O HOH A3107 -0.418 -18.632 -9.096 1.00 35.68 O +HETATM 3690 H1 HOH A3107 -1.158 -18.900 -8.475 1.00 0.00 H +HETATM 3691 H2 HOH A3107 0.173 -17.962 -8.643 1.00 0.00 H +HETATM 3692 O HOH A3108 4.270 -14.726 -11.339 1.00 32.25 O +HETATM 3693 H1 HOH A3108 4.726 -13.833 -11.382 1.00 0.00 H +HETATM 3694 H2 HOH A3108 4.557 -15.204 -10.509 1.00 0.00 H +HETATM 3695 O HOH A3109 3.469 -13.515 -14.223 1.00 25.87 O +HETATM 3696 H1 HOH A3109 4.135 -14.203 -13.931 1.00 0.00 H +HETATM 3697 H2 HOH A3109 3.614 -12.673 -13.694 1.00 0.00 H +HETATM 3698 O HOH A3110 2.072 -16.887 -15.894 1.00 42.81 O +HETATM 3699 H1 HOH A3110 1.534 -16.377 -16.568 1.00 0.00 H +HETATM 3700 H2 HOH A3110 3.032 -16.899 -16.177 1.00 0.00 H +HETATM 3701 O HOH A3111 -10.720 -6.467 -5.352 1.00 33.88 O +HETATM 3702 H1 HOH A3111 -10.948 -6.844 -6.254 1.00 0.00 H +HETATM 3703 H2 HOH A3111 -10.555 -5.484 -5.436 1.00 0.00 H +HETATM 3704 O HOH A3112 -12.417 -9.029 -4.191 1.00 29.28 O +HETATM 3705 H1 HOH A3112 -13.378 -9.226 -4.392 1.00 0.00 H +HETATM 3706 H2 HOH A3112 -12.211 -8.083 -4.446 1.00 0.00 H +HETATM 3707 O HOH A3113 -6.607 -10.942 -1.263 1.00 40.29 O +HETATM 3708 H1 HOH A3113 -6.734 -11.818 -0.796 1.00 0.00 H +HETATM 3709 H2 HOH A3113 -6.471 -10.221 -0.582 1.00 0.00 H +HETATM 3710 O HOH A3114 -10.938 -9.889 -1.650 1.00 37.55 O +HETATM 3711 H1 HOH A3114 -11.613 -9.651 -2.352 1.00 0.00 H +HETATM 3712 H2 HOH A3114 -10.974 -9.212 -0.914 1.00 0.00 H +HETATM 3713 O HOH A3115 5.185 -11.986 -8.117 1.00 30.50 O +HETATM 3714 H1 HOH A3115 4.908 -12.079 -7.157 1.00 0.00 H +HETATM 3715 H2 HOH A3115 4.385 -11.759 -8.673 1.00 0.00 H +HETATM 3716 O HOH A3116 2.469 -18.416 -10.733 1.00 43.95 O +HETATM 3717 H1 HOH A3116 3.201 -18.927 -10.282 1.00 0.00 H +HETATM 3718 H2 HOH A3116 2.126 -17.709 -10.108 1.00 0.00 H +HETATM 3719 O HOH A3117 3.513 -16.736 -4.645 1.00 45.06 O +HETATM 3720 H1 HOH A3117 3.143 -16.876 -5.567 1.00 0.00 H +HETATM 3721 H2 HOH A3117 3.464 -15.763 -4.412 1.00 0.00 H +HETATM 3722 O HOH A3118 0.128 -5.835 -4.203 1.00 29.35 O +HETATM 3723 H1 HOH A3118 -0.554 -5.990 -4.920 1.00 0.00 H +HETATM 3724 H2 HOH A3118 0.023 -6.529 -3.487 1.00 0.00 H +HETATM 3725 O HOH A3119 -3.863 -8.237 -4.892 1.00 37.25 O +HETATM 3726 H1 HOH A3119 -4.232 -9.068 -4.473 1.00 0.00 H +HETATM 3727 H2 HOH A3119 -3.316 -8.483 -5.693 1.00 0.00 H +HETATM 3728 O HOH A3120 6.720 -9.378 -7.623 1.00 45.69 O +HETATM 3729 H1 HOH A3120 6.249 -8.642 -8.111 1.00 0.00 H +HETATM 3730 H2 HOH A3120 6.328 -10.260 -7.892 1.00 0.00 H +HETATM 3731 O HOH A3121 4.616 -3.754 -6.760 1.00 44.22 O +HETATM 3732 H1 HOH A3121 4.885 -4.596 -7.231 1.00 0.00 H +HETATM 3733 H2 HOH A3121 5.405 -3.377 -6.275 1.00 0.00 H +HETATM 3734 O HOH A3122 7.007 -9.305 -4.565 1.00 49.22 O +HETATM 3735 H1 HOH A3122 6.085 -9.476 -4.208 1.00 0.00 H +HETATM 3736 H2 HOH A3122 6.988 -9.342 -5.566 1.00 0.00 H +HETATM 3737 O HOH A3123 4.427 -12.102 -5.349 1.00 43.87 O +HETATM 3738 H1 HOH A3123 4.427 -11.250 -4.817 1.00 0.00 H +HETATM 3739 H2 HOH A3123 4.017 -12.833 -4.800 1.00 0.00 H +HETATM 3740 O HOH A3124 3.092 -13.842 -3.464 1.00 45.81 O +HETATM 3741 H1 HOH A3124 2.153 -14.195 -3.473 1.00 0.00 H +HETATM 3742 H2 HOH A3124 3.248 -13.333 -2.617 1.00 0.00 H +HETATM 3743 O HOH A3125 0.369 -7.579 -1.755 1.00 37.52 O +HETATM 3744 H1 HOH A3125 0.680 -6.954 -1.040 1.00 0.00 H +HETATM 3745 H2 HOH A3125 1.136 -8.158 -2.047 1.00 0.00 H +HETATM 3746 O HOH A3126 3.888 -4.673 -15.042 1.00 23.01 O +HETATM 3747 H1 HOH A3126 4.184 -5.160 -14.218 1.00 0.00 H +HETATM 3748 H2 HOH A3126 3.063 -4.144 -14.836 1.00 0.00 H +HETATM 3749 O HOH A3127 7.393 -5.315 -11.819 1.00 27.12 O +HETATM 3750 H1 HOH A3127 6.547 -5.533 -12.308 1.00 0.00 H +HETATM 3751 H2 HOH A3127 7.853 -6.167 -11.559 1.00 0.00 H +HETATM 3752 O HOH A3128 0.844 -1.465 -16.548 1.00 23.04 O +HETATM 3753 H1 HOH A3128 1.042 -2.111 -15.808 1.00 0.00 H +HETATM 3754 H2 HOH A3128 0.236 -0.747 -16.207 1.00 0.00 H +HETATM 3755 O HOH A3129 -2.608 -2.267 -15.427 1.00 18.59 O +HETATM 3756 H1 HOH A3129 -2.771 -3.168 -15.834 1.00 0.00 H +HETATM 3757 H2 HOH A3129 -3.169 -2.168 -14.604 1.00 0.00 H +HETATM 3758 O HOH A3130 5.954 -3.256 -10.195 1.00 17.49 O +HETATM 3759 H1 HOH A3130 6.439 -3.970 -10.704 1.00 0.00 H +HETATM 3760 H2 HOH A3130 6.618 -2.615 -9.809 1.00 0.00 H +HETATM 3761 O HOH A3131 1.826 1.314 -5.491 1.00 36.55 O +HETATM 3762 H1 HOH A3131 2.156 0.553 -4.930 1.00 0.00 H +HETATM 3763 H2 HOH A3131 1.464 0.957 -6.353 1.00 0.00 H +HETATM 3764 O HOH A3132 -1.133 0.297 -15.012 1.00 20.79 O +HETATM 3765 H1 HOH A3132 -1.744 -0.493 -15.093 1.00 0.00 H +HETATM 3766 H2 HOH A3132 -0.879 0.424 -14.051 1.00 0.00 H +HETATM 3767 O HOH A3133 -5.266 -4.425 -6.887 1.00 21.26 O +HETATM 3768 H1 HOH A3133 -4.811 -3.945 -6.134 1.00 0.00 H +HETATM 3769 H2 HOH A3133 -5.791 -5.193 -6.520 1.00 0.00 H +HETATM 3770 O HOH A3134 -3.897 -3.233 -4.508 1.00 40.81 O +HETATM 3771 H1 HOH A3134 -3.242 -2.718 -5.064 1.00 0.00 H +HETATM 3772 H2 HOH A3134 -3.559 -3.295 -3.569 1.00 0.00 H +HETATM 3773 O HOH A3135 5.296 -1.674 -3.331 1.00 47.38 O +HETATM 3774 H1 HOH A3135 4.358 -1.538 -3.656 1.00 0.00 H +HETATM 3775 H2 HOH A3135 5.842 -0.864 -3.545 1.00 0.00 H +HETATM 3776 O HOH A3136 -7.716 -3.526 -9.584 1.00 21.18 O +HETATM 3777 H1 HOH A3136 -8.214 -2.665 -9.687 1.00 0.00 H +HETATM 3778 H2 HOH A3136 -7.573 -3.713 -8.611 1.00 0.00 H +HETATM 3779 O HOH A3137 -5.508 -2.105 -19.020 1.00 25.19 O +HETATM 3780 H1 HOH A3137 -5.734 -2.260 -19.985 1.00 0.00 H +HETATM 3781 H2 HOH A3137 -5.768 -1.170 -18.765 1.00 0.00 H +HETATM 3782 O HOH A3138 -9.533 -2.277 -12.831 0.50 20.72 O +HETATM 3783 H1 HOH A3138 -10.000 -3.090 -12.480 1.00 0.00 H +HETATM 3784 H2 HOH A3138 -10.057 -1.461 -12.586 1.00 0.00 H +HETATM 3785 O HOH A3139 -12.745 -5.036 -8.737 1.00 17.08 O +HETATM 3786 H1 HOH A3139 -12.293 -5.872 -8.417 1.00 0.00 H +HETATM 3787 H2 HOH A3139 -12.408 -4.806 -9.650 1.00 0.00 H +HETATM 3788 O HOH A3140 -8.616 -1.333 -20.156 1.00 25.42 O +HETATM 3789 H1 HOH A3140 -9.292 -1.090 -20.855 1.00 0.00 H +HETATM 3790 H2 HOH A3140 -7.816 -1.742 -20.600 1.00 0.00 H +HETATM 3791 O HOH A3141 -13.274 -3.980 -18.430 1.00 21.60 O +HETATM 3792 H1 HOH A3141 -14.108 -4.239 -17.936 1.00 0.00 H +HETATM 3793 H2 HOH A3141 -13.517 -3.712 -19.366 1.00 0.00 H +HETATM 3794 O HOH A3142 -6.302 0.583 -18.082 1.00 51.81 O +HETATM 3795 H1 HOH A3142 -7.028 1.116 -18.517 1.00 0.00 H +HETATM 3796 H2 HOH A3142 -5.716 1.193 -17.549 1.00 0.00 H +HETATM 3797 O HOH A3143 -15.172 -3.814 -14.309 1.00 22.03 O +HETATM 3798 H1 HOH A3143 -14.423 -3.257 -13.949 1.00 0.00 H +HETATM 3799 H2 HOH A3143 -16.008 -3.262 -14.340 1.00 0.00 H +HETATM 3800 O HOH A3144 -15.810 -4.628 -17.215 1.00 34.22 O +HETATM 3801 H1 HOH A3144 -16.703 -4.944 -17.541 1.00 0.00 H +HETATM 3802 H2 HOH A3144 -15.846 -4.496 -16.223 1.00 0.00 H +HETATM 3803 O HOH A3145 -14.508 -22.068 -21.772 1.00 15.08 O +HETATM 3804 H1 HOH A3145 -13.537 -21.969 -22.000 1.00 0.00 H +HETATM 3805 H2 HOH A3145 -14.813 -21.262 -21.261 1.00 0.00 H +HETATM 3806 O HOH A3146 -22.151 -20.611 -20.892 1.00 22.22 O +HETATM 3807 H1 HOH A3146 -23.036 -20.176 -20.708 1.00 0.00 H +HETATM 3808 H2 HOH A3146 -22.275 -21.601 -20.956 1.00 0.00 H +HETATM 3809 O HOH A3147 -23.418 -24.086 -22.014 1.00 26.93 O +HETATM 3810 H1 HOH A3147 -23.690 -24.013 -22.975 1.00 0.00 H +HETATM 3811 H2 HOH A3147 -22.459 -23.812 -21.922 1.00 0.00 H +HETATM 3812 O HOH A3148 -21.878 -28.853 -23.912 1.00 57.85 O +HETATM 3813 H1 HOH A3148 -21.309 -28.375 -23.240 1.00 0.00 H +HETATM 3814 H2 HOH A3148 -21.538 -29.785 -24.034 1.00 0.00 H +HETATM 3815 O HOH A3149 -21.394 -27.374 -19.361 1.00 27.47 O +HETATM 3816 H1 HOH A3149 -22.333 -27.472 -19.023 1.00 0.00 H +HETATM 3817 H2 HOH A3149 -21.407 -27.266 -20.356 1.00 0.00 H +HETATM 3818 O HOH A3150 -19.158 -29.141 -18.620 1.00 28.84 O +HETATM 3819 H1 HOH A3150 -19.925 -28.548 -18.876 1.00 0.00 H +HETATM 3820 H2 HOH A3150 -19.313 -30.059 -18.984 1.00 0.00 H +HETATM 3821 O AHOH A3151 -11.634 -20.453 -11.551 0.50 16.42 O +HETATM 3822 O BHOH A3151 -10.226 -20.702 -12.235 0.50 20.59 O +HETATM 3823 H1 AHOH A3151 -11.300 -19.538 -11.783 0.50 0.00 H +HETATM 3824 H1 BHOH A3151 -9.592 -20.066 -11.600 0.50 0.00 H +HETATM 3825 H2 AHOH A3151 -11.079 -20.829 -10.808 0.50 0.00 H +HETATM 3826 H2 BHOH A3151 -10.860 -21.338 -11.600 0.50 0.00 H +HETATM 3827 O HOH A3152 -6.103 -23.327 -13.235 1.00 44.06 O +HETATM 3828 H1 HOH A3152 -6.998 -23.474 -13.659 1.00 0.00 H +HETATM 3829 H2 HOH A3152 -5.419 -23.170 -13.949 1.00 0.00 H +HETATM 3830 O HOH A3153 -11.054 -26.028 -25.390 1.00 39.39 O +HETATM 3831 H1 HOH A3153 -10.560 -25.156 -25.420 1.00 0.00 H +HETATM 3832 H2 HOH A3153 -11.220 -26.281 -24.435 1.00 0.00 H +HETATM 3833 O HOH A3154 -12.415 -29.216 -23.349 1.00 51.65 O +HETATM 3834 H1 HOH A3154 -12.115 -28.291 -23.110 1.00 0.00 H +HETATM 3835 H2 HOH A3154 -13.333 -29.175 -23.744 1.00 0.00 H +HETATM 3836 O HOH A3155 -13.611 -29.418 -18.877 1.00 37.52 O +HETATM 3837 H1 HOH A3155 -13.280 -28.945 -19.695 1.00 0.00 H +HETATM 3838 H2 HOH A3155 -14.346 -30.047 -19.133 1.00 0.00 H +HETATM 3839 O HOH A3156 -12.358 -19.304 -24.053 1.00 15.26 O +HETATM 3840 H1 HOH A3156 -12.129 -20.108 -23.502 1.00 0.00 H +HETATM 3841 H2 HOH A3156 -13.053 -19.551 -24.729 1.00 0.00 H +HETATM 3842 O HOH A3157 -11.413 -24.316 -28.358 1.00 27.60 O +HETATM 3843 H1 HOH A3157 -12.037 -25.099 -28.313 1.00 0.00 H +HETATM 3844 H2 HOH A3157 -11.120 -24.075 -27.432 1.00 0.00 H +HETATM 3845 O HOH A3158 -12.673 -20.737 -34.853 1.00 25.13 O +HETATM 3846 H1 HOH A3158 -12.419 -20.650 -35.816 1.00 0.00 H +HETATM 3847 H2 HOH A3158 -12.537 -21.685 -34.558 1.00 0.00 H +HETATM 3848 O HOH A3159 -15.506 -17.039 -33.090 1.00 26.85 O +HETATM 3849 H1 HOH A3159 -14.685 -17.612 -33.055 1.00 0.00 H +HETATM 3850 H2 HOH A3159 -15.581 -16.619 -33.994 1.00 0.00 H +HETATM 3851 O HOH A3160 -5.005 -19.356 -32.415 1.00 28.54 O +HETATM 3852 H1 HOH A3160 -5.606 -18.555 -32.397 1.00 0.00 H +HETATM 3853 H2 HOH A3160 -5.417 -20.093 -31.876 1.00 0.00 H +HETATM 3854 O HOH A3161 -3.408 -22.469 -30.980 1.00 41.28 O +HETATM 3855 H1 HOH A3161 -4.369 -22.190 -30.989 1.00 0.00 H +HETATM 3856 H2 HOH A3161 -2.850 -21.725 -30.608 1.00 0.00 H +HETATM 3857 O HOH A3162 -10.762 -23.679 -31.255 1.00 22.93 O +HETATM 3858 H1 HOH A3162 -11.469 -23.749 -31.960 1.00 0.00 H +HETATM 3859 H2 HOH A3162 -11.126 -24.008 -30.382 1.00 0.00 H +HETATM 3860 O HOH A3165 -11.534 -15.512 -32.606 1.00 34.27 O +HETATM 3861 H1 HOH A3165 -12.285 -14.870 -32.773 1.00 0.00 H +HETATM 3862 H2 HOH A3165 -11.825 -16.436 -32.859 1.00 0.00 H +HETATM 3863 O HOH A3167 -13.746 -13.561 -33.185 1.00 37.08 O +HETATM 3864 H1 HOH A3167 -13.551 -12.756 -32.620 1.00 0.00 H +HETATM 3865 H2 HOH A3167 -13.610 -13.329 -34.149 1.00 0.00 H +HETATM 3866 O HOH A3168 -26.094 -13.799 -0.896 1.00 47.64 O +HETATM 3867 H1 HOH A3168 -27.007 -14.165 -1.083 1.00 0.00 H +HETATM 3868 H2 HOH A3168 -26.107 -12.803 -1.005 1.00 0.00 H +HETATM 3869 O HOH A3169 -34.123 -17.331 -3.059 1.00 36.91 O +HETATM 3870 H1 HOH A3169 -33.290 -17.545 -2.542 1.00 0.00 H +HETATM 3871 H2 HOH A3169 -34.821 -16.986 -2.431 1.00 0.00 H +HETATM 3872 O HOH A3170 -33.921 -22.247 -2.941 1.00 29.94 O +HETATM 3873 H1 HOH A3170 -34.169 -21.483 -3.540 1.00 0.00 H +HETATM 3874 H2 HOH A3170 -34.752 -22.662 -2.571 1.00 0.00 H +HETATM 3875 O HOH A3171 -32.678 -12.270 0.084 1.00 40.80 O +HETATM 3876 H1 HOH A3171 -31.924 -12.251 -0.575 1.00 0.00 H +HETATM 3877 H2 HOH A3171 -32.328 -12.536 0.983 1.00 0.00 H +HETATM 3878 O HOH A3172 -1.745 -20.216 -29.856 1.00 33.92 O +HETATM 3879 H1 HOH A3172 -1.529 -19.678 -30.671 1.00 0.00 H +HETATM 3880 H2 HOH A3172 -0.906 -20.625 -29.495 1.00 0.00 H +HETATM 3881 O HOH A3173 -26.119 -0.882 -11.029 1.00 22.21 O +HETATM 3882 H1 HOH A3173 -27.046 -1.189 -10.796 1.00 0.00 H +HETATM 3883 H2 HOH A3173 -26.144 0.086 -11.279 1.00 0.00 H +HETATM 3884 O HOH A3174 -31.146 -1.372 -12.345 1.00 39.24 O +HETATM 3885 H1 HOH A3174 -31.722 -0.564 -12.224 1.00 0.00 H +HETATM 3886 H2 HOH A3174 -30.850 -1.427 -13.303 1.00 0.00 H +HETATM 3887 O HOH A3175 -34.651 -4.892 -19.383 1.00 32.57 O +HETATM 3888 H1 HOH A3175 -35.115 -4.007 -19.326 1.00 0.00 H +HETATM 3889 H2 HOH A3175 -34.430 -5.209 -18.457 1.00 0.00 H +HETATM 3890 O HOH A3176 -22.870 -0.673 -21.739 1.00 54.49 O +HETATM 3891 H1 HOH A3176 -22.779 -0.749 -20.744 1.00 0.00 H +HETATM 3892 H2 HOH A3176 -23.759 -1.038 -22.020 1.00 0.00 H +HETATM 3893 O HOH A3177 -17.732 -2.272 -14.677 1.00 40.07 O +HETATM 3894 H1 HOH A3177 -18.089 -3.181 -14.902 1.00 0.00 H +HETATM 3895 H2 HOH A3177 -18.469 -1.599 -14.762 1.00 0.00 H +HETATM 3896 O HOH A3178 -16.999 -7.210 -25.589 1.00 13.17 O +HETATM 3897 H1 HOH A3178 -17.231 -7.085 -26.554 1.00 0.00 H +HETATM 3898 H2 HOH A3178 -16.123 -6.764 -25.397 1.00 0.00 H +HETATM 3899 O HOH A3179 -17.467 -0.822 -21.266 1.00 43.88 O +HETATM 3900 H1 HOH A3179 -18.149 -1.290 -20.702 1.00 0.00 H +HETATM 3901 H2 HOH A3179 -16.859 -1.501 -21.686 1.00 0.00 H +HETATM 3902 O HOH A3180 -13.786 -0.384 -20.925 1.00 45.74 O +HETATM 3903 H1 HOH A3180 -13.841 -1.380 -21.023 1.00 0.00 H +HETATM 3904 H2 HOH A3180 -14.704 0.006 -21.007 1.00 0.00 H +HETATM 3905 O HOH A3181 -33.705 -3.871 -22.018 1.00 32.69 O +HETATM 3906 H1 HOH A3181 -32.808 -4.157 -22.363 1.00 0.00 H +HETATM 3907 H2 HOH A3181 -33.870 -4.296 -21.126 1.00 0.00 H +HETATM 3908 O HOH A3182 -33.730 -16.710 -36.592 1.00 37.58 O +HETATM 3909 H1 HOH A3182 -34.426 -16.239 -36.045 1.00 0.00 H +HETATM 3910 H2 HOH A3182 -33.859 -17.701 -36.513 1.00 0.00 H +HETATM 3911 O HOH A3183 -25.463 -12.606 -29.509 1.00 14.75 O +HETATM 3912 H1 HOH A3183 -24.615 -12.246 -29.115 1.00 0.00 H +HETATM 3913 H2 HOH A3183 -25.751 -12.021 -30.270 1.00 0.00 H +HETATM 3914 O HOH A3184 -16.030 -9.179 -32.016 1.00 40.38 O +HETATM 3915 H1 HOH A3184 -15.759 -9.091 -31.054 1.00 0.00 H +HETATM 3916 H2 HOH A3184 -15.698 -8.386 -32.527 1.00 0.00 H +HETATM 3917 O HOH A3185 -34.237 -6.847 -34.527 1.00 44.80 O +HETATM 3918 H1 HOH A3185 -33.943 -5.948 -34.854 1.00 0.00 H +HETATM 3919 H2 HOH A3185 -34.760 -7.307 -35.244 1.00 0.00 H +HETATM 3920 O HOH A3186 -24.463 -19.854 -28.341 1.00 18.48 O +HETATM 3921 H1 HOH A3186 -24.386 -18.946 -27.926 1.00 0.00 H +HETATM 3922 H2 HOH A3186 -25.318 -19.907 -28.862 1.00 0.00 H +HETATM 3923 O HOH A3187 -38.254 -12.204 -10.831 1.00 53.76 O +HETATM 3924 H1 HOH A3187 -37.451 -12.509 -11.347 1.00 0.00 H +HETATM 3925 H2 HOH A3187 -38.281 -11.204 -10.819 1.00 0.00 H +HETATM 3926 O HOH A3188 -19.402 -17.931 -31.247 1.00 29.47 O +HETATM 3927 H1 HOH A3188 -20.264 -18.228 -30.831 1.00 0.00 H +HETATM 3928 H2 HOH A3188 -18.742 -17.716 -30.525 1.00 0.00 H +HETATM 3929 O HOH A3189 -19.101 -15.721 -33.118 1.00 28.05 O +HETATM 3930 H1 HOH A3189 -19.099 -16.584 -32.608 1.00 0.00 H +HETATM 3931 H2 HOH A3189 -19.375 -14.977 -32.506 1.00 0.00 H +HETATM 3932 O HOH A3190 -15.830 -16.046 -3.125 1.00 47.48 O +HETATM 3933 H1 HOH A3190 -14.962 -15.556 -3.212 1.00 0.00 H +HETATM 3934 H2 HOH A3190 -16.584 -15.432 -3.368 1.00 0.00 H +HETATM 3935 O HOH A3191 -12.788 -28.299 -2.309 1.00 45.69 O +HETATM 3936 H1 HOH A3191 -11.912 -28.102 -1.865 1.00 0.00 H +HETATM 3937 H2 HOH A3191 -13.221 -29.078 -1.855 1.00 0.00 H +HETATM 3938 O HOH A3192 -23.724 -26.302 -24.672 1.00 35.03 O +HETATM 3939 H1 HOH A3192 -23.143 -25.499 -24.811 1.00 0.00 H +HETATM 3940 H2 HOH A3192 -23.150 -27.110 -24.529 1.00 0.00 H +HETATM 3941 O HOH A3193 -24.404 -26.790 -30.357 1.00 27.31 O +HETATM 3942 H1 HOH A3193 -23.680 -26.216 -29.970 1.00 0.00 H +HETATM 3943 H2 HOH A3193 -25.297 -26.399 -30.124 1.00 0.00 H +HETATM 3944 O HOH A3194 -31.803 -20.995 -26.125 1.00 25.37 O +HETATM 3945 H1 HOH A3194 -32.521 -21.086 -25.434 1.00 0.00 H +HETATM 3946 H2 HOH A3194 -31.107 -21.701 -25.975 1.00 0.00 H +HETATM 3947 O HOH A3195 -30.251 -25.057 -23.450 1.00 30.66 O +HETATM 3948 H1 HOH A3195 -30.682 -25.962 -23.443 1.00 0.00 H +HETATM 3949 H2 HOH A3195 -30.582 -24.526 -22.669 1.00 0.00 H +HETATM 3950 O HOH A3196 -2.615 -21.464 -5.550 1.00 48.07 O +HETATM 3951 H1 HOH A3196 -3.076 -21.328 -4.670 1.00 0.00 H +HETATM 3952 H2 HOH A3196 -1.645 -21.648 -5.391 1.00 0.00 H +HETATM 3953 O HOH A3197 -0.897 -15.418 -0.873 1.00 46.42 O +HETATM 3954 H1 HOH A3197 -1.786 -14.971 -0.995 1.00 0.00 H +HETATM 3955 H2 HOH A3197 -0.972 -16.112 -0.157 1.00 0.00 H +HETATM 3956 O HOH A3198 -17.144 -25.382 -29.827 1.00 31.39 O +HETATM 3957 H1 HOH A3198 -17.586 -25.552 -30.711 1.00 0.00 H +HETATM 3958 H2 HOH A3198 -16.676 -26.212 -29.525 1.00 0.00 H +HETATM 3959 O HOH A3199 -17.516 -22.926 -35.673 1.00 51.31 O +HETATM 3960 H1 HOH A3199 -18.162 -22.936 -34.909 1.00 0.00 H +HETATM 3961 H2 HOH A3199 -17.361 -21.980 -35.963 1.00 0.00 H +HETATM 3962 O HOH A3200 -18.555 -25.410 -32.499 1.00 44.93 O +HETATM 3963 H1 HOH A3200 -18.795 -24.461 -32.712 1.00 0.00 H +HETATM 3964 H2 HOH A3200 -18.424 -25.918 -33.351 1.00 0.00 H +HETATM 3965 O HOH A3201 -21.683 -18.201 -36.662 1.00 37.35 O +HETATM 3966 H1 HOH A3201 -21.834 -18.823 -35.892 1.00 0.00 H +HETATM 3967 H2 HOH A3201 -20.960 -17.551 -36.430 1.00 0.00 H +HETATM 3968 O HOH A3202 -22.090 -22.415 -36.405 1.00 37.27 O +HETATM 3969 H1 HOH A3202 -22.211 -21.571 -35.880 1.00 0.00 H +HETATM 3970 H2 HOH A3202 -22.587 -23.159 -35.956 1.00 0.00 H +HETATM 3971 O HOH A3203 -27.219 -28.759 -30.484 1.00 34.92 O +HETATM 3972 H1 HOH A3203 -27.796 -27.954 -30.338 1.00 0.00 H +HETATM 3973 H2 HOH A3203 -26.260 -28.510 -30.338 1.00 0.00 H +HETATM 3974 O HOH A3204 8.372 -8.043 -11.062 1.00 35.44 O +HETATM 3975 H1 HOH A3204 8.755 -8.278 -10.168 1.00 0.00 H +HETATM 3976 H2 HOH A3204 8.159 -8.882 -11.563 1.00 0.00 H +HETATM 3977 O HOH A3205 -29.076 -33.152 -28.759 1.00 38.77 O +HETATM 3978 H1 HOH A3205 -29.918 -32.692 -28.468 1.00 0.00 H +HETATM 3979 H2 HOH A3205 -28.953 -33.988 -28.224 1.00 0.00 H +HETATM 3980 O HOH A3206 -36.426 -22.893 -31.114 1.00 32.51 O +HETATM 3981 H1 HOH A3206 -35.921 -22.803 -30.253 1.00 0.00 H +HETATM 3982 H2 HOH A3206 -35.899 -22.466 -31.853 1.00 0.00 H +HETATM 3983 O HOH A3207 -40.781 -26.854 -27.175 1.00 30.14 O +HETATM 3984 H1 HOH A3207 -40.766 -26.439 -26.264 1.00 0.00 H +HETATM 3985 H2 HOH A3207 -41.177 -27.771 -27.115 1.00 0.00 H +HETATM 3986 O HOH A3208 -34.078 -19.616 -36.158 1.00 32.33 O +HETATM 3987 H1 HOH A3208 -33.646 -20.081 -35.380 1.00 0.00 H +HETATM 3988 H2 HOH A3208 -34.940 -20.074 -36.378 1.00 0.00 H +HETATM 3989 O HOH A3209 -36.437 -19.091 -32.984 1.00 27.56 O +HETATM 3990 H1 HOH A3209 -35.960 -19.964 -33.118 1.00 0.00 H +HETATM 3991 H2 HOH A3209 -35.912 -18.525 -32.347 1.00 0.00 H +HETATM 3992 O HOH A3210 -30.215 -21.764 -36.057 1.00 28.84 O +HETATM 3993 H1 HOH A3210 -30.195 -22.730 -36.317 1.00 0.00 H +HETATM 3994 H2 HOH A3210 -31.149 -21.509 -35.801 1.00 0.00 H +HETATM 3995 O HOH A3211 -26.453 -25.649 -38.085 1.00 50.18 O +HETATM 3996 H1 HOH A3211 -26.599 -25.216 -38.977 1.00 0.00 H +HETATM 3997 H2 HOH A3211 -26.822 -26.579 -38.104 1.00 0.00 H +HETATM 3998 O HOH A3212 -26.850 -23.639 -40.354 1.00 51.11 O +HETATM 3999 H1 HOH A3212 -26.048 -23.463 -40.928 1.00 0.00 H +HETATM 4000 H2 HOH A3212 -27.670 -23.657 -40.928 1.00 0.00 H +HETATM 4001 O HOH A3213 -35.726 -15.168 -35.017 1.00 47.63 O +HETATM 4002 H1 HOH A3213 -35.570 -14.905 -34.063 1.00 0.00 H +HETATM 4003 H2 HOH A3213 -36.128 -14.398 -35.513 1.00 0.00 H +HETATM 4004 O HOH A3214 -13.014 -26.715 -27.520 1.00 38.43 O +HETATM 4005 H1 HOH A3214 -12.377 -26.612 -26.753 1.00 0.00 H +HETATM 4006 H2 HOH A3214 -13.050 -27.677 -27.795 1.00 0.00 H +HETATM 4007 O HOH A3215 -33.374 -18.438 -25.016 1.00 18.38 O +HETATM 4008 H1 HOH A3215 -33.422 -18.661 -25.992 1.00 0.00 H +HETATM 4009 H2 HOH A3215 -33.497 -19.273 -24.477 1.00 0.00 H +HETATM 4010 O HOH A3216 -12.299 -23.597 -33.991 1.00 33.74 O +HETATM 4011 H1 HOH A3216 -11.547 -24.073 -34.449 1.00 0.00 H +HETATM 4012 H2 HOH A3216 -13.152 -24.097 -34.146 1.00 0.00 H +HETATM 4013 O HOH A3219 -37.791 -20.423 -30.064 1.00 23.12 O +HETATM 4014 H1 HOH A3219 -37.450 -21.251 -30.513 1.00 0.00 H +HETATM 4015 H2 HOH A3219 -38.691 -20.191 -30.436 1.00 0.00 H +HETATM 4016 O HOH A3220 -37.878 -15.773 -24.515 1.00 22.04 O +HETATM 4017 H1 HOH A3220 -37.864 -16.775 -24.513 1.00 0.00 H +HETATM 4018 H2 HOH A3220 -36.968 -15.431 -24.758 1.00 0.00 H +HETATM 4019 O HOH A3221 -33.619 -25.643 -21.683 1.00 26.38 O +HETATM 4020 H1 HOH A3221 -32.917 -26.265 -22.035 1.00 0.00 H +HETATM 4021 H2 HOH A3221 -34.476 -25.801 -22.173 1.00 0.00 H +HETATM 4022 O HOH A3222 -27.798 -24.129 -21.811 1.00 45.88 O +HETATM 4023 H1 HOH A3222 -27.769 -25.008 -22.291 1.00 0.00 H +HETATM 4024 H2 HOH A3222 -28.751 -23.842 -21.699 1.00 0.00 H +HETATM 4025 O HOH A3223 -39.232 -20.725 -18.785 1.00 27.97 O +HETATM 4026 H1 HOH A3223 -38.314 -21.122 -18.848 1.00 0.00 H +HETATM 4027 H2 HOH A3223 -39.884 -21.438 -18.524 1.00 0.00 H +HETATM 4028 O HOH A3224 -25.571 -22.746 -20.695 1.00 25.01 O +HETATM 4029 H1 HOH A3224 -24.768 -23.210 -21.076 1.00 0.00 H +HETATM 4030 H2 HOH A3224 -26.402 -23.196 -21.031 1.00 0.00 H +HETATM 4031 O HOH A3225 -27.245 -26.802 -23.062 1.00 52.11 O +HETATM 4032 H1 HOH A3225 -26.313 -26.816 -23.427 1.00 0.00 H +HETATM 4033 H2 HOH A3225 -27.414 -27.645 -22.551 1.00 0.00 H +HETATM 4034 O HOH A3226 -31.906 -27.469 -23.428 1.00 53.58 O +HETATM 4035 H1 HOH A3226 -32.545 -27.230 -24.162 1.00 0.00 H +HETATM 4036 H2 HOH A3226 -31.866 -28.464 -23.334 1.00 0.00 H +HETATM 4037 O HOH A3227 -17.274 -19.947 -36.219 1.00 32.25 O +HETATM 4038 H1 HOH A3227 -16.573 -19.320 -35.878 1.00 0.00 H +HETATM 4039 H2 HOH A3227 -17.620 -19.614 -37.097 1.00 0.00 H +HETATM 4040 O HOH A3228 -42.655 -24.850 -28.645 1.00 44.13 O +HETATM 4041 H1 HOH A3228 -42.005 -25.496 -28.242 1.00 0.00 H +HETATM 4042 H2 HOH A3228 -43.410 -25.355 -29.064 1.00 0.00 H +HETATM 4043 O HOH A3229 -2.549 -2.439 -18.672 1.00 20.55 O +HETATM 4044 H1 HOH A3229 -3.525 -2.270 -18.826 1.00 0.00 H +HETATM 4045 H2 HOH A3229 -2.235 -1.887 -17.898 1.00 0.00 H +HETATM 4046 O HOH A3230 5.139 -1.665 -22.411 1.00 34.30 O +HETATM 4047 H1 HOH A3230 5.615 -2.538 -22.289 1.00 0.00 H +HETATM 4048 H2 HOH A3230 5.813 -0.932 -22.513 1.00 0.00 H +HETATM 4049 O HOH A3231 0.383 -2.311 -21.652 1.00 29.95 O +HETATM 4050 H1 HOH A3231 -0.421 -2.895 -21.521 1.00 0.00 H +HETATM 4051 H2 HOH A3231 0.348 -1.905 -22.566 1.00 0.00 H +HETATM 4052 O HOH A3232 0.004 -2.211 -24.827 1.00 26.92 O +HETATM 4053 H1 HOH A3232 -0.100 -1.897 -25.773 1.00 0.00 H +HETATM 4054 H2 HOH A3232 0.953 -2.500 -24.679 1.00 0.00 H +HETATM 4055 O HOH A3233 -0.233 -3.878 -30.627 1.00 33.68 O +HETATM 4056 H1 HOH A3233 -0.885 -3.903 -29.867 1.00 0.00 H +HETATM 4057 H2 HOH A3233 0.566 -4.434 -30.397 1.00 0.00 H +HETATM 4058 O HOH A3234 0.059 -1.833 -27.792 1.00 44.53 O +HETATM 4059 H1 HOH A3234 -0.708 -2.418 -28.065 1.00 0.00 H +HETATM 4060 H2 HOH A3234 0.614 -1.619 -28.596 1.00 0.00 H +HETATM 4061 O HOH A3235 4.394 -0.325 -25.206 1.00 47.06 O +HETATM 4062 H1 HOH A3235 4.324 -0.804 -24.330 1.00 0.00 H +HETATM 4063 H2 HOH A3235 3.477 -0.110 -25.542 1.00 0.00 H +HETATM 4064 O HOH A3236 6.492 -4.253 -21.670 1.00 51.78 O +HETATM 4065 H1 HOH A3236 6.596 -4.481 -20.700 1.00 0.00 H +HETATM 4066 H2 HOH A3236 7.071 -4.858 -22.216 1.00 0.00 H +HETATM 4067 O HOH A3237 -9.010 -6.135 -31.297 1.00 40.66 O +HETATM 4068 H1 HOH A3237 -8.916 -5.146 -31.173 1.00 0.00 H +HETATM 4069 H2 HOH A3237 -9.980 -6.383 -31.259 1.00 0.00 H +HETATM 4070 O HOH A3238 -2.327 -3.555 -32.708 1.00 21.08 O +HETATM 4071 H1 HOH A3238 -1.531 -3.654 -32.107 1.00 0.00 H +HETATM 4072 H2 HOH A3238 -2.055 -3.078 -33.544 1.00 0.00 H +HETATM 4073 O HOH A3239 -4.575 -1.430 -36.243 1.00 36.45 O +HETATM 4074 H1 HOH A3239 -4.506 -2.388 -36.525 1.00 0.00 H +HETATM 4075 H2 HOH A3239 -4.533 -0.842 -37.051 1.00 0.00 H +HETATM 4076 O HOH A3240 -4.437 -4.409 -36.915 1.00 44.22 O +HETATM 4077 H1 HOH A3240 -4.755 -4.431 -35.965 1.00 0.00 H +HETATM 4078 H2 HOH A3240 -4.234 -5.340 -37.220 1.00 0.00 H +HETATM 4079 O HOH C3001 2.603 -13.313 -27.441 1.00 48.95 O +HETATM 4080 H1 HOH C3001 1.686 -13.619 -27.176 1.00 0.00 H +HETATM 4081 H2 HOH C3001 2.532 -12.689 -28.219 1.00 0.00 H +HETATM 4082 O HOH C3002 -3.610 -26.538 -24.752 1.00 54.04 O +HETATM 4083 H1 HOH C3002 -4.588 -26.678 -24.596 1.00 0.00 H +HETATM 4084 H2 HOH C3002 -3.238 -27.319 -25.254 1.00 0.00 H +HETATM 4085 O HOH C3003 0.448 -19.767 -20.131 1.00 45.15 O +HETATM 4086 H1 HOH C3003 -0.459 -19.744 -19.707 1.00 0.00 H +HETATM 4087 H2 HOH C3003 0.360 -20.073 -21.080 1.00 0.00 H +HETATM 4088 O HOH C3004 -0.192 -14.160 -26.615 1.00 53.39 O +HETATM 4089 H1 HOH C3004 0.127 -14.867 -25.980 1.00 0.00 H +HETATM 4090 H2 HOH C3004 -1.155 -13.960 -26.433 1.00 0.00 H +HETATM 4091 O HOH C3005 1.837 -17.167 -19.716 1.00 36.75 O +HETATM 4092 H1 HOH C3005 1.406 -16.541 -19.063 1.00 0.00 H +HETATM 4093 H2 HOH C3005 1.315 -18.022 -19.751 1.00 0.00 H +HETATM 4094 O HOH C3006 0.489 -15.314 -17.881 1.00 32.52 O +HETATM 4095 H1 HOH C3006 1.003 -14.484 -17.648 1.00 0.00 H +HETATM 4096 H2 HOH C3006 -0.475 -15.079 -18.024 1.00 0.00 H +HETATM 4097 O HOH C3007 -2.407 -14.785 -18.043 1.00 20.66 O +HETATM 4098 H1 HOH C3007 -2.469 -13.806 -18.252 1.00 0.00 H +HETATM 4099 H2 HOH C3007 -2.454 -14.913 -17.051 1.00 0.00 H +HETATM 4100 O HOH C3008 -21.273 3.147 -35.277 1.00 51.33 O +HETATM 4101 H1 HOH C3008 -21.479 2.167 -35.317 1.00 0.00 H +HETATM 4102 H2 HOH C3008 -22.000 3.657 -35.738 1.00 0.00 H +HETATM 4103 O HOH C3009 -20.098 4.761 -33.030 1.00 39.01 O +HETATM 4104 H1 HOH C3009 -20.432 4.205 -33.794 1.00 0.00 H +HETATM 4105 H2 HOH C3009 -20.870 5.225 -32.596 1.00 0.00 H +HETATM 4106 O HOH C3010 5.478 -8.124 -25.285 1.00 39.15 O +HETATM 4107 H1 HOH C3010 5.914 -8.223 -24.389 1.00 0.00 H +HETATM 4108 H2 HOH C3010 6.173 -8.172 -26.001 1.00 0.00 H +HETATM 4109 O HOH C3011 6.703 -12.207 -18.918 1.00 44.50 O +HETATM 4110 H1 HOH C3011 7.336 -12.935 -19.184 1.00 0.00 H +HETATM 4111 H2 HOH C3011 6.381 -12.371 -17.985 1.00 0.00 H +HETATM 4112 O HOH C3012 6.620 -4.995 -18.733 1.00 29.79 O +HETATM 4113 H1 HOH C3012 7.086 -4.811 -17.867 1.00 0.00 H +HETATM 4114 H2 HOH C3012 5.854 -5.621 -18.572 1.00 0.00 H +HETATM 4115 O HOH C3013 2.285 -13.187 -16.980 1.00 44.03 O +HETATM 4116 H1 HOH C3013 2.870 -13.187 -16.166 1.00 0.00 H +HETATM 4117 H2 HOH C3013 2.528 -12.410 -17.564 1.00 0.00 H +HETATM 4118 O HOH C3014 2.785 -2.912 -24.573 1.00 32.67 O +HETATM 4119 H1 HOH C3014 3.613 -2.886 -25.135 1.00 0.00 H +HETATM 4120 H2 HOH C3014 2.833 -3.692 -23.946 1.00 0.00 H +HETATM 4121 O HOH C3015 -6.388 -2.442 -21.766 1.00 20.17 O +HETATM 4122 H1 HOH C3015 -6.544 -1.772 -22.495 1.00 0.00 H +HETATM 4123 H2 HOH C3015 -6.513 -3.367 -22.133 1.00 0.00 H +HETATM 4124 O HOH C3016 -11.917 -6.581 -30.913 1.00 39.39 O +HETATM 4125 H1 HOH C3016 -12.688 -6.526 -31.548 1.00 0.00 H +HETATM 4126 H2 HOH C3016 -12.236 -6.933 -30.032 1.00 0.00 H +HETATM 4127 O HOH C3017 -9.001 0.096 -32.004 1.00 28.70 O +HETATM 4128 H1 HOH C3017 -8.564 -0.788 -31.834 1.00 0.00 H +HETATM 4129 H2 HOH C3017 -9.990 -0.034 -32.092 1.00 0.00 H +HETATM 4130 O HOH C3018 -10.372 -1.168 -25.498 1.00 39.90 O +HETATM 4131 H1 HOH C3018 -10.233 -2.062 -25.925 1.00 0.00 H +HETATM 4132 H2 HOH C3018 -11.156 -0.715 -25.923 1.00 0.00 H +HETATM 4133 O HOH C3019 -8.690 2.440 -24.096 1.00 25.21 O +HETATM 4134 H1 HOH C3019 -8.392 3.177 -23.488 1.00 0.00 H +HETATM 4135 H2 HOH C3019 -9.673 2.293 -23.983 1.00 0.00 H +HETATM 4136 O HOH C3020 -7.590 -0.404 -23.587 1.00 40.21 O +HETATM 4137 H1 HOH C3020 -8.478 -0.783 -23.319 1.00 0.00 H +HETATM 4138 H2 HOH C3020 -7.708 0.553 -23.859 1.00 0.00 H +HETATM 4139 O HOH C3021 -14.849 2.638 -38.414 1.00 37.70 O +HETATM 4140 H1 HOH C3021 -15.314 1.902 -37.920 1.00 0.00 H +HETATM 4141 H2 HOH C3021 -13.973 2.833 -37.971 1.00 0.00 H +HETATM 4142 O HOH C3022 -18.633 2.190 -36.438 1.00 34.64 O +HETATM 4143 H1 HOH C3022 -19.459 2.683 -36.159 1.00 0.00 H +HETATM 4144 H2 HOH C3022 -18.126 2.739 -37.103 1.00 0.00 H +HETATM 4145 O HOH C3023 -21.803 0.218 -35.571 1.00 46.23 O +HETATM 4146 H1 HOH C3023 -21.159 -0.389 -35.101 1.00 0.00 H +HETATM 4147 H2 HOH C3023 -22.613 -0.303 -35.840 1.00 0.00 H +HETATM 4148 O HOH C3024 -17.402 5.094 -31.697 1.00 41.95 O +HETATM 4149 H1 HOH C3024 -17.453 4.373 -31.005 1.00 0.00 H +HETATM 4150 H2 HOH C3024 -18.258 5.114 -32.217 1.00 0.00 H +HETATM 4151 O HOH C3025 -13.522 -11.076 -31.636 1.00 36.16 O +HETATM 4152 H1 HOH C3025 -13.371 -10.882 -30.663 1.00 0.00 H +HETATM 4153 H2 HOH C3025 -14.127 -10.377 -32.020 1.00 0.00 H +HETATM 4154 O HOH C3026 -10.266 -1.383 -22.599 1.00 33.83 O +HETATM 4155 H1 HOH C3026 -10.508 -1.309 -23.569 1.00 0.00 H +HETATM 4156 H2 HOH C3026 -10.672 -2.215 -22.218 1.00 0.00 H +HETATM 4157 O HOH C3027 -4.361 -22.799 -15.957 1.00 30.13 O +HETATM 4158 H1 HOH C3027 -3.646 -22.503 -15.321 1.00 0.00 H +HETATM 4159 H2 HOH C3027 -4.092 -23.666 -16.379 1.00 0.00 H +HETATM 4160 O HOH C3028 -15.931 -11.632 -4.255 1.00 47.28 O +HETATM 4161 H1 HOH C3028 -16.433 -10.768 -4.215 1.00 0.00 H +HETATM 4162 H2 HOH C3028 -15.883 -11.944 -5.207 1.00 0.00 H +HETATM 4163 O HOH C3029 -39.369 -14.346 -26.732 1.00 22.92 O +HETATM 4164 H1 HOH C3029 -39.046 -14.815 -25.908 1.00 0.00 H +HETATM 4165 H2 HOH C3029 -39.785 -15.012 -27.353 1.00 0.00 H +HETATM 4166 O HOH C3030 -40.763 -16.294 -28.738 1.00 31.71 O +HETATM 4167 H1 HOH C3030 -41.653 -16.160 -28.300 1.00 0.00 H +HETATM 4168 H2 HOH C3030 -40.597 -17.274 -28.858 1.00 0.00 H +HETATM 4169 O HOH C3031 -40.679 -19.232 -29.888 1.00 37.58 O +HETATM 4170 H1 HOH C3031 -40.462 -19.750 -29.059 1.00 0.00 H +HETATM 4171 H2 HOH C3031 -41.472 -19.646 -30.338 1.00 0.00 H +CONECT 1 4 5 6 +CONECT 4 1 +CONECT 5 1 +CONECT 6 1 +CONECT 2621 2624 2625 2626 +CONECT 2624 2621 +CONECT 2625 2621 +CONECT 2626 2621 +CONECT 3386 3388 3390 +CONECT 3388 3386 +CONECT 3390 3386 +CONECT 3392 3393 3394 +CONECT 3393 3392 +CONECT 3394 3392 +CONECT 3395 3396 3397 +CONECT 3396 3395 +CONECT 3397 3395 +CONECT 3398 3399 3400 +CONECT 3399 3398 +CONECT 3400 3398 +CONECT 3401 3402 3403 +CONECT 3402 3401 +CONECT 3403 3401 +CONECT 3404 3405 3406 +CONECT 3405 3404 +CONECT 3406 3404 +CONECT 3407 3408 3409 +CONECT 3408 3407 +CONECT 3409 3407 +CONECT 3410 3411 3412 +CONECT 3411 3410 +CONECT 3412 3410 +CONECT 3413 3414 3415 +CONECT 3414 3413 +CONECT 3415 3413 +CONECT 3416 3417 3418 +CONECT 3417 3416 +CONECT 3418 3416 +CONECT 3419 3420 3421 +CONECT 3420 3419 +CONECT 3421 3419 +CONECT 3422 3423 3424 +CONECT 3423 3422 +CONECT 3424 3422 +CONECT 3425 3426 3427 +CONECT 3426 3425 +CONECT 3427 3425 +CONECT 3428 3429 3430 +CONECT 3429 3428 +CONECT 3430 3428 +CONECT 3431 3432 3433 +CONECT 3432 3431 +CONECT 3433 3431 +CONECT 3434 3435 3436 +CONECT 3435 3434 +CONECT 3436 3434 +CONECT 3437 3438 3439 +CONECT 3438 3437 +CONECT 3439 3437 +CONECT 3440 3441 3442 +CONECT 3441 3440 +CONECT 3442 3440 +CONECT 3443 3444 3445 +CONECT 3444 3443 +CONECT 3445 3443 +CONECT 3446 3447 3448 +CONECT 3447 3446 +CONECT 3448 3446 +CONECT 3449 3450 3451 +CONECT 3450 3449 +CONECT 3451 3449 +CONECT 3452 3453 3454 +CONECT 3453 3452 +CONECT 3454 3452 +CONECT 3455 3456 3457 +CONECT 3456 3455 +CONECT 3457 3455 +CONECT 3458 3459 3460 +CONECT 3459 3458 +CONECT 3460 3458 +CONECT 3461 3462 3463 +CONECT 3462 3461 +CONECT 3463 3461 +CONECT 3464 3465 3466 +CONECT 3465 3464 +CONECT 3466 3464 +CONECT 3467 3468 3469 +CONECT 3468 3467 +CONECT 3469 3467 +CONECT 3470 3471 3472 +CONECT 3471 3470 +CONECT 3472 3470 +CONECT 3473 3474 3475 +CONECT 3474 3473 +CONECT 3475 3473 +CONECT 3476 3477 3478 +CONECT 3477 3476 +CONECT 3478 3476 +CONECT 3479 3480 3481 +CONECT 3480 3479 +CONECT 3481 3479 +CONECT 3482 3483 3484 +CONECT 3483 3482 +CONECT 3484 3482 +CONECT 3485 3486 3487 +CONECT 3486 3485 +CONECT 3487 3485 +CONECT 3488 3489 3490 +CONECT 3489 3488 +CONECT 3490 3488 +CONECT 3491 3492 3493 +CONECT 3492 3491 +CONECT 3493 3491 +CONECT 3494 3495 3496 +CONECT 3495 3494 +CONECT 3496 3494 +CONECT 3497 3498 3499 +CONECT 3498 3497 +CONECT 3499 3497 +CONECT 3500 3501 3502 +CONECT 3501 3500 +CONECT 3502 3500 +CONECT 3503 3504 3505 +CONECT 3504 3503 +CONECT 3505 3503 +CONECT 3506 3507 3508 +CONECT 3507 3506 +CONECT 3508 3506 +CONECT 3509 3510 3511 +CONECT 3510 3509 +CONECT 3511 3509 +CONECT 3512 3513 3514 +CONECT 3513 3512 +CONECT 3514 3512 +CONECT 3515 3516 3517 +CONECT 3516 3515 +CONECT 3517 3515 +CONECT 3518 3519 3520 +CONECT 3519 3518 +CONECT 3520 3518 +CONECT 3521 3522 3523 +CONECT 3522 3521 +CONECT 3523 3521 +CONECT 3524 3525 3526 +CONECT 3525 3524 +CONECT 3526 3524 +CONECT 3527 3528 3529 +CONECT 3528 3527 +CONECT 3529 3527 +CONECT 3530 3531 3532 +CONECT 3531 3530 +CONECT 3532 3530 +CONECT 3533 3534 3535 +CONECT 3534 3533 +CONECT 3535 3533 +CONECT 3536 3537 3538 +CONECT 3537 3536 +CONECT 3538 3536 +CONECT 3539 3540 3541 +CONECT 3540 3539 +CONECT 3541 3539 +CONECT 3542 3543 3544 +CONECT 3543 3542 +CONECT 3544 3542 +CONECT 3545 3546 3547 +CONECT 3546 3545 +CONECT 3547 3545 +CONECT 3548 3549 3550 +CONECT 3549 3548 +CONECT 3550 3548 +CONECT 3551 3552 3553 +CONECT 3552 3551 +CONECT 3553 3551 +CONECT 3554 3555 3556 +CONECT 3555 3554 +CONECT 3556 3554 +CONECT 3557 3558 3559 +CONECT 3558 3557 +CONECT 3559 3557 +CONECT 3560 3561 3562 +CONECT 3561 3560 +CONECT 3562 3560 +CONECT 3563 3564 3565 +CONECT 3564 3563 +CONECT 3565 3563 +CONECT 3566 3567 3568 +CONECT 3567 3566 +CONECT 3568 3566 +CONECT 3569 3570 3571 +CONECT 3570 3569 +CONECT 3571 3569 +CONECT 3572 3573 3574 +CONECT 3573 3572 +CONECT 3574 3572 +CONECT 3575 3576 3577 +CONECT 3576 3575 +CONECT 3577 3575 +CONECT 3578 3579 3580 +CONECT 3579 3578 +CONECT 3580 3578 +CONECT 3581 3582 3583 +CONECT 3582 3581 +CONECT 3583 3581 +CONECT 3584 3585 3586 +CONECT 3585 3584 +CONECT 3586 3584 +CONECT 3587 3588 3589 +CONECT 3588 3587 +CONECT 3589 3587 +CONECT 3590 3591 3592 +CONECT 3591 3590 +CONECT 3592 3590 +CONECT 3593 3594 3595 +CONECT 3594 3593 +CONECT 3595 3593 +CONECT 3596 3597 3598 +CONECT 3597 3596 +CONECT 3598 3596 +CONECT 3599 3600 3601 +CONECT 3600 3599 +CONECT 3601 3599 +CONECT 3602 3603 3604 +CONECT 3603 3602 +CONECT 3604 3602 +CONECT 3605 3606 3607 +CONECT 3606 3605 +CONECT 3607 3605 +CONECT 3608 3609 3610 +CONECT 3609 3608 +CONECT 3610 3608 +CONECT 3611 3612 3613 +CONECT 3612 3611 +CONECT 3613 3611 +CONECT 3614 3615 3616 +CONECT 3615 3614 +CONECT 3616 3614 +CONECT 3617 3618 3619 +CONECT 3618 3617 +CONECT 3619 3617 +CONECT 3620 3621 3622 +CONECT 3621 3620 +CONECT 3622 3620 +CONECT 3623 3624 3625 +CONECT 3624 3623 +CONECT 3625 3623 +CONECT 3626 3627 3628 +CONECT 3627 3626 +CONECT 3628 3626 +CONECT 3629 3630 3631 +CONECT 3630 3629 +CONECT 3631 3629 +CONECT 3632 3633 3634 +CONECT 3633 3632 +CONECT 3634 3632 +CONECT 3635 3636 3637 +CONECT 3636 3635 +CONECT 3637 3635 +CONECT 3638 3639 3640 +CONECT 3639 3638 +CONECT 3640 3638 +CONECT 3641 3642 3643 +CONECT 3642 3641 +CONECT 3643 3641 +CONECT 3644 3645 3646 +CONECT 3645 3644 +CONECT 3646 3644 +CONECT 3647 3648 3649 +CONECT 3648 3647 +CONECT 3649 3647 +CONECT 3650 3651 3652 +CONECT 3651 3650 +CONECT 3652 3650 +CONECT 3653 3654 3655 +CONECT 3654 3653 +CONECT 3655 3653 +CONECT 3656 3657 3658 +CONECT 3657 3656 +CONECT 3658 3656 +CONECT 3659 3660 3661 +CONECT 3660 3659 +CONECT 3661 3659 +CONECT 3662 3663 3664 +CONECT 3663 3662 +CONECT 3664 3662 +CONECT 3665 3666 3667 +CONECT 3666 3665 +CONECT 3667 3665 +CONECT 3668 3669 3670 +CONECT 3669 3668 +CONECT 3670 3668 +CONECT 3671 3672 3673 +CONECT 3672 3671 +CONECT 3673 3671 +CONECT 3674 3675 3676 +CONECT 3675 3674 +CONECT 3676 3674 +CONECT 3677 3678 3679 +CONECT 3678 3677 +CONECT 3679 3677 +CONECT 3680 3681 3682 +CONECT 3681 3680 +CONECT 3682 3680 +CONECT 3683 3684 3685 +CONECT 3684 3683 +CONECT 3685 3683 +CONECT 3686 3687 3688 +CONECT 3687 3686 +CONECT 3688 3686 +CONECT 3689 3690 3691 +CONECT 3690 3689 +CONECT 3691 3689 +CONECT 3692 3693 3694 +CONECT 3693 3692 +CONECT 3694 3692 +CONECT 3695 3696 3697 +CONECT 3696 3695 +CONECT 3697 3695 +CONECT 3698 3699 3700 +CONECT 3699 3698 +CONECT 3700 3698 +CONECT 3701 3702 3703 +CONECT 3702 3701 +CONECT 3703 3701 +CONECT 3704 3705 3706 +CONECT 3705 3704 +CONECT 3706 3704 +CONECT 3707 3708 3709 +CONECT 3708 3707 +CONECT 3709 3707 +CONECT 3710 3711 3712 +CONECT 3711 3710 +CONECT 3712 3710 +CONECT 3713 3714 3715 +CONECT 3714 3713 +CONECT 3715 3713 +CONECT 3716 3717 3718 +CONECT 3717 3716 +CONECT 3718 3716 +CONECT 3719 3720 3721 +CONECT 3720 3719 +CONECT 3721 3719 +CONECT 3722 3723 3724 +CONECT 3723 3722 +CONECT 3724 3722 +CONECT 3725 3726 3727 +CONECT 3726 3725 +CONECT 3727 3725 +CONECT 3728 3729 3730 +CONECT 3729 3728 +CONECT 3730 3728 +CONECT 3731 3732 3733 +CONECT 3732 3731 +CONECT 3733 3731 +CONECT 3734 3735 3736 +CONECT 3735 3734 +CONECT 3736 3734 +CONECT 3737 3738 3739 +CONECT 3738 3737 +CONECT 3739 3737 +CONECT 3740 3741 3742 +CONECT 3741 3740 +CONECT 3742 3740 +CONECT 3743 3744 3745 +CONECT 3744 3743 +CONECT 3745 3743 +CONECT 3746 3747 3748 +CONECT 3747 3746 +CONECT 3748 3746 +CONECT 3749 3750 3751 +CONECT 3750 3749 +CONECT 3751 3749 +CONECT 3752 3753 3754 +CONECT 3753 3752 +CONECT 3754 3752 +CONECT 3755 3756 3757 +CONECT 3756 3755 +CONECT 3757 3755 +CONECT 3758 3759 3760 +CONECT 3759 3758 +CONECT 3760 3758 +CONECT 3761 3762 3763 +CONECT 3762 3761 +CONECT 3763 3761 +CONECT 3764 3765 3766 +CONECT 3765 3764 +CONECT 3766 3764 +CONECT 3767 3768 3769 +CONECT 3768 3767 +CONECT 3769 3767 +CONECT 3770 3771 3772 +CONECT 3771 3770 +CONECT 3772 3770 +CONECT 3773 3774 3775 +CONECT 3774 3773 +CONECT 3775 3773 +CONECT 3776 3777 3778 +CONECT 3777 3776 +CONECT 3778 3776 +CONECT 3779 3780 3781 +CONECT 3780 3779 +CONECT 3781 3779 +CONECT 3782 3783 3784 +CONECT 3783 3782 +CONECT 3784 3782 +CONECT 3785 3786 3787 +CONECT 3786 3785 +CONECT 3787 3785 +CONECT 3788 3789 3790 +CONECT 3789 3788 +CONECT 3790 3788 +CONECT 3791 3792 3793 +CONECT 3792 3791 +CONECT 3793 3791 +CONECT 3794 3795 3796 +CONECT 3795 3794 +CONECT 3796 3794 +CONECT 3797 3798 3799 +CONECT 3798 3797 +CONECT 3799 3797 +CONECT 3800 3801 3802 +CONECT 3801 3800 +CONECT 3802 3800 +CONECT 3803 3804 3805 +CONECT 3804 3803 +CONECT 3805 3803 +CONECT 3806 3807 3808 +CONECT 3807 3806 +CONECT 3808 3806 +CONECT 3809 3810 3811 +CONECT 3810 3809 +CONECT 3811 3809 +CONECT 3812 3813 3814 +CONECT 3813 3812 +CONECT 3814 3812 +CONECT 3815 3816 3817 +CONECT 3816 3815 +CONECT 3817 3815 +CONECT 3818 3819 3820 +CONECT 3819 3818 +CONECT 3820 3818 +CONECT 3821 3823 3825 +CONECT 3823 3821 +CONECT 3825 3821 +CONECT 3827 3828 3829 +CONECT 3828 3827 +CONECT 3829 3827 +CONECT 3830 3831 3832 +CONECT 3831 3830 +CONECT 3832 3830 +CONECT 3833 3834 3835 +CONECT 3834 3833 +CONECT 3835 3833 +CONECT 3836 3837 3838 +CONECT 3837 3836 +CONECT 3838 3836 +CONECT 3839 3840 3841 +CONECT 3840 3839 +CONECT 3841 3839 +CONECT 3842 3843 3844 +CONECT 3843 3842 +CONECT 3844 3842 +CONECT 3845 3846 3847 +CONECT 3846 3845 +CONECT 3847 3845 +CONECT 3848 3849 3850 +CONECT 3849 3848 +CONECT 3850 3848 +CONECT 3851 3852 3853 +CONECT 3852 3851 +CONECT 3853 3851 +CONECT 3854 3855 3856 +CONECT 3855 3854 +CONECT 3856 3854 +CONECT 3857 3858 3859 +CONECT 3858 3857 +CONECT 3859 3857 +CONECT 3860 3861 3862 +CONECT 3861 3860 +CONECT 3862 3860 +CONECT 3863 3864 3865 +CONECT 3864 3863 +CONECT 3865 3863 +CONECT 3866 3867 3868 +CONECT 3867 3866 +CONECT 3868 3866 +CONECT 3869 3870 3871 +CONECT 3870 3869 +CONECT 3871 3869 +CONECT 3872 3873 3874 +CONECT 3873 3872 +CONECT 3874 3872 +CONECT 3875 3876 3877 +CONECT 3876 3875 +CONECT 3877 3875 +CONECT 3878 3879 3880 +CONECT 3879 3878 +CONECT 3880 3878 +CONECT 3881 3882 3883 +CONECT 3882 3881 +CONECT 3883 3881 +CONECT 3884 3885 3886 +CONECT 3885 3884 +CONECT 3886 3884 +CONECT 3887 3888 3889 +CONECT 3888 3887 +CONECT 3889 3887 +CONECT 3890 3891 3892 +CONECT 3891 3890 +CONECT 3892 3890 +CONECT 3893 3894 3895 +CONECT 3894 3893 +CONECT 3895 3893 +CONECT 3896 3897 3898 +CONECT 3897 3896 +CONECT 3898 3896 +CONECT 3899 3900 3901 +CONECT 3900 3899 +CONECT 3901 3899 +CONECT 3902 3903 3904 +CONECT 3903 3902 +CONECT 3904 3902 +CONECT 3905 3906 3907 +CONECT 3906 3905 +CONECT 3907 3905 +CONECT 3908 3909 3910 +CONECT 3909 3908 +CONECT 3910 3908 +CONECT 3911 3912 3913 +CONECT 3912 3911 +CONECT 3913 3911 +CONECT 3914 3915 3916 +CONECT 3915 3914 +CONECT 3916 3914 +CONECT 3917 3918 3919 +CONECT 3918 3917 +CONECT 3919 3917 +CONECT 3920 3921 3922 +CONECT 3921 3920 +CONECT 3922 3920 +CONECT 3923 3924 3925 +CONECT 3924 3923 +CONECT 3925 3923 +CONECT 3926 3927 3928 +CONECT 3927 3926 +CONECT 3928 3926 +CONECT 3929 3930 3931 +CONECT 3930 3929 +CONECT 3931 3929 +CONECT 3932 3933 3934 +CONECT 3933 3932 +CONECT 3934 3932 +CONECT 3935 3936 3937 +CONECT 3936 3935 +CONECT 3937 3935 +CONECT 3938 3939 3940 +CONECT 3939 3938 +CONECT 3940 3938 +CONECT 3941 3942 3943 +CONECT 3942 3941 +CONECT 3943 3941 +CONECT 3944 3945 3946 +CONECT 3945 3944 +CONECT 3946 3944 +CONECT 3947 3948 3949 +CONECT 3948 3947 +CONECT 3949 3947 +CONECT 3950 3951 3952 +CONECT 3951 3950 +CONECT 3952 3950 +CONECT 3953 3954 3955 +CONECT 3954 3953 +CONECT 3955 3953 +CONECT 3956 3957 3958 +CONECT 3957 3956 +CONECT 3958 3956 +CONECT 3959 3960 3961 +CONECT 3960 3959 +CONECT 3961 3959 +CONECT 3962 3963 3964 +CONECT 3963 3962 +CONECT 3964 3962 +CONECT 3965 3966 3967 +CONECT 3966 3965 +CONECT 3967 3965 +CONECT 3968 3969 3970 +CONECT 3969 3968 +CONECT 3970 3968 +CONECT 3971 3972 3973 +CONECT 3972 3971 +CONECT 3973 3971 +CONECT 3974 3975 3976 +CONECT 3975 3974 +CONECT 3976 3974 +CONECT 3977 3978 3979 +CONECT 3978 3977 +CONECT 3979 3977 +CONECT 3980 3981 3982 +CONECT 3981 3980 +CONECT 3982 3980 +CONECT 3983 3984 3985 +CONECT 3984 3983 +CONECT 3985 3983 +CONECT 3986 3987 3988 +CONECT 3987 3986 +CONECT 3988 3986 +CONECT 3989 3990 3991 +CONECT 3990 3989 +CONECT 3991 3989 +CONECT 3992 3993 3994 +CONECT 3993 3992 +CONECT 3994 3992 +CONECT 3995 3996 3997 +CONECT 3996 3995 +CONECT 3997 3995 +CONECT 3998 3999 4000 +CONECT 3999 3998 +CONECT 4000 3998 +CONECT 4001 4002 4003 +CONECT 4002 4001 +CONECT 4003 4001 +CONECT 4004 4005 4006 +CONECT 4005 4004 +CONECT 4006 4004 +CONECT 4007 4008 4009 +CONECT 4008 4007 +CONECT 4009 4007 +CONECT 4010 4011 4012 +CONECT 4011 4010 +CONECT 4012 4010 +CONECT 4013 4014 4015 +CONECT 4014 4013 +CONECT 4015 4013 +CONECT 4016 4017 4018 +CONECT 4017 4016 +CONECT 4018 4016 +CONECT 4019 4020 4021 +CONECT 4020 4019 +CONECT 4021 4019 +CONECT 4022 4023 4024 +CONECT 4023 4022 +CONECT 4024 4022 +CONECT 4025 4026 4027 +CONECT 4026 4025 +CONECT 4027 4025 +CONECT 4028 4029 4030 +CONECT 4029 4028 +CONECT 4030 4028 +CONECT 4031 4032 4033 +CONECT 4032 4031 +CONECT 4033 4031 +CONECT 4034 4035 4036 +CONECT 4035 4034 +CONECT 4036 4034 +CONECT 4037 4038 4039 +CONECT 4038 4037 +CONECT 4039 4037 +CONECT 4040 4041 4042 +CONECT 4041 4040 +CONECT 4042 4040 +CONECT 4043 4044 4045 +CONECT 4044 4043 +CONECT 4045 4043 +CONECT 4046 4047 4048 +CONECT 4047 4046 +CONECT 4048 4046 +CONECT 4049 4050 4051 +CONECT 4050 4049 +CONECT 4051 4049 +CONECT 4052 4053 4054 +CONECT 4053 4052 +CONECT 4054 4052 +CONECT 4055 4056 4057 +CONECT 4056 4055 +CONECT 4057 4055 +CONECT 4058 4059 4060 +CONECT 4059 4058 +CONECT 4060 4058 +CONECT 4061 4062 4063 +CONECT 4062 4061 +CONECT 4063 4061 +CONECT 4064 4065 4066 +CONECT 4065 4064 +CONECT 4066 4064 +CONECT 4067 4068 4069 +CONECT 4068 4067 +CONECT 4069 4067 +CONECT 4070 4071 4072 +CONECT 4071 4070 +CONECT 4072 4070 +CONECT 4073 4074 4075 +CONECT 4074 4073 +CONECT 4075 4073 +CONECT 4076 4077 4078 +CONECT 4077 4076 +CONECT 4078 4076 +CONECT 4079 4080 4081 +CONECT 4080 4079 +CONECT 4081 4079 +CONECT 4082 4083 4084 +CONECT 4083 4082 +CONECT 4084 4082 +CONECT 4085 4086 4087 +CONECT 4086 4085 +CONECT 4087 4085 +CONECT 4088 4089 4090 +CONECT 4089 4088 +CONECT 4090 4088 +CONECT 4091 4092 4093 +CONECT 4092 4091 +CONECT 4093 4091 +CONECT 4094 4095 4096 +CONECT 4095 4094 +CONECT 4096 4094 +CONECT 4097 4098 4099 +CONECT 4098 4097 +CONECT 4099 4097 +CONECT 4100 4101 4102 +CONECT 4101 4100 +CONECT 4102 4100 +CONECT 4103 4104 4105 +CONECT 4104 4103 +CONECT 4105 4103 +CONECT 4106 4107 4108 +CONECT 4107 4106 +CONECT 4108 4106 +CONECT 4109 4110 4111 +CONECT 4110 4109 +CONECT 4111 4109 +CONECT 4112 4113 4114 +CONECT 4113 4112 +CONECT 4114 4112 +CONECT 4115 4116 4117 +CONECT 4116 4115 +CONECT 4117 4115 +CONECT 4118 4119 4120 +CONECT 4119 4118 +CONECT 4120 4118 +CONECT 4121 4122 4123 +CONECT 4122 4121 +CONECT 4123 4121 +CONECT 4124 4125 4126 +CONECT 4125 4124 +CONECT 4126 4124 +CONECT 4127 4128 4129 +CONECT 4128 4127 +CONECT 4129 4127 +CONECT 4130 4131 4132 +CONECT 4131 4130 +CONECT 4132 4130 +CONECT 4133 4134 4135 +CONECT 4134 4133 +CONECT 4135 4133 +CONECT 4136 4137 4138 +CONECT 4137 4136 +CONECT 4138 4136 +CONECT 4139 4140 4141 +CONECT 4140 4139 +CONECT 4141 4139 +CONECT 4142 4143 4144 +CONECT 4143 4142 +CONECT 4144 4142 +CONECT 4145 4146 4147 +CONECT 4146 4145 +CONECT 4147 4145 +CONECT 4148 4149 4150 +CONECT 4149 4148 +CONECT 4150 4148 +CONECT 4151 4152 4153 +CONECT 4152 4151 +CONECT 4153 4151 +CONECT 4154 4155 4156 +CONECT 4155 4154 +CONECT 4156 4154 +CONECT 4157 4158 4159 +CONECT 4158 4157 +CONECT 4159 4157 +CONECT 4160 4161 4162 +CONECT 4161 4160 +CONECT 4162 4160 +CONECT 4163 4164 4165 +CONECT 4164 4163 +CONECT 4165 4163 +CONECT 4166 4167 4168 +CONECT 4167 4166 +CONECT 4168 4166 +CONECT 4169 4170 4171 +CONECT 4170 4169 +CONECT 4171 4169 +ENDMDL +END