diff --git a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py index cc4db05..ba08822 100644 --- a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py +++ b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py @@ -44,6 +44,10 @@ "local_only": False, "seed": 181129, "debug": False, + "bias_file": None, + "multi_bias": False, + "multi_bias_file": None, + "multi_bias_index": None, } @@ -57,6 +61,8 @@ def __init__(self, size_x: float = 22.5, size_y: float = 22.5, size_z: float = 22.5, + bias_file: Optional[Path] = None, + multi_bias_files: List[Path] = [], workdir: Path = Path("docking_pipeline"), ): """ @@ -87,6 +93,8 @@ def __init__(self, self.receptor = receptor self.mols = sum([read_ligand(ligand) for ligand in ligands], []) self.mols = [PropertyMol(mol) for mol in self.mols] + self.bias_file = bias_file + self.multi_bias_files_dict = {f.stem: f for f in multi_bias_files} self.center_x = center_x self.center_y = center_y self.center_z = center_z @@ -127,11 +135,20 @@ def prepare_topology_sdf(self, mol_list: List[Chem.Mol], savedir: Path) -> List[ return prepared_sdf_list @time_logger - def init_docking_data(self, input_dir: Path, batch_size: int = 20): + def init_docking_data(self, input_dir: Path, multi_bias: bool = False, batch_size: int = 20): real_batch_size = math.ceil(len(self.mols) / math.ceil(len(self.mols) / batch_size)) batched_mol_list = [self.mols[i:i+real_batch_size] for i in range(0, len(self.mols), real_batch_size)] for one_batch_mol_list in batched_mol_list: input_list = self.prepare_topology_sdf(one_batch_mol_list, input_dir) + if multi_bias: + for input_file in input_list: + filename = input_file.stem + logging.info(filename) + logging.info(self.multi_bias_files_dict) + if filename in self.multi_bias_files_dict: + shutil.copyfile(self.multi_bias_files_dict[filename], os.path.join(input_dir, f"{filename}.bpf")) + else: + logging.warning(f"Cannot find bias file in multi-bias mode for {filename}") yield input_list @time_logger @@ -148,6 +165,7 @@ def docking(self, batch_size: int = 1200, score_only: bool = False, local_only: bool = False, + multi_bias: bool = False, score_name: str = "docking_score", docking_dir_name : str = "docking_dir", topn: int = 10, @@ -157,6 +175,7 @@ def docking(self, for ligand_list in self.init_docking_data( input_dir=input_dir, batch_size=batch_size, + multi_bias=multi_bias, ): # Run docking ligands, scores_list = run_unidock( @@ -165,8 +184,8 @@ def docking(self, size_x=self.size_x, size_y=self.size_y, size_z=self.size_z, scoring=scoring_function, num_modes=num_modes, search_mode=search_mode, exhaustiveness=exhaustiveness, max_step=max_step, - seed=seed, refine_step=refine_step, energy_range=energy_range, - score_only=score_only, local_only=local_only, + seed=seed, refine_step=refine_step, energy_range=energy_range, bias_file=self.bias_file, + score_only=score_only, local_only=local_only, multi_bias=multi_bias, ) self.postprocessing(ligand_scores_list=zip(ligands, scores_list), save_dir=save_dir, @@ -222,6 +241,33 @@ def main(args: dict): exit(1) logging.info(f"[UniDock Pipeline] {len(ligands)} ligands found.") + bias_file = None + if args.get("bias_file"): + bias_file = Path(args["bias_file"]).resolve() + if not bias_file.exists(): + logging.error(f"Cannot find {bias_file}") + exit(1) + + multi_bias_file_list = [] + if args["multi_bias"]: + if args.get("multi_bias_file"): + for multi_bias_file in args["multi_bias_file"]: + if not Path(multi_bias_file).exists(): + logging.error(f"Cannot find {multi_bias_file}") + continue + multi_bias_file_list.append(Path(multi_bias_file).resolve()) + elif args.get("multi_bias_index"): + with open(args["multi_bias_index"], "r") as f: + index_content = f.read() + index_lines1 = [line.strip() for line in index_content.split("\n") if line.strip()] + index_lines2 = [line.strip() for line in index_content.split(" ") if line.strip()] + multi_bias_file_list.extend(index_lines2 if len(index_lines2) > len(index_lines1) else index_lines1) + multi_bias_file_list = [Path(multi_bias_file).resolve() for multi_bias_file in multi_bias_file_list if Path(multi_bias_file).exists()] + + if len(multi_bias_file_list) != len(ligands): + logging.error("Number of ligands and bias files should be equal in multi-bias mode.") + exit(1) + logging.info("[UniDock Pipeline] Start") start_time = time.time() runner = UniDock( @@ -233,7 +279,9 @@ def main(args: dict): size_x=float(args["size_x"]), size_y=float(args["size_y"]), size_z=float(args["size_z"]), - workdir=workdir + bias_file=bias_file, + multi_bias_files=multi_bias_file_list, + workdir=workdir, ) logging.info("[UniDock Pipeline] Start docking") runner.docking( @@ -249,6 +297,7 @@ def main(args: dict): batch_size=int(args["batch_size"]), score_only=bool(args["score_only"]), local_only=bool(args["local_only"]), + multi_bias=bool(args["multi_bias"]), score_name="docking_score", docking_dir_name="docking_dir", topn=int(args["topn"]), @@ -268,6 +317,12 @@ def get_parser() -> argparse.ArgumentParser: help="Ligand file in sdf format. Specify multiple files separated by commas.") parser.add_argument("-i", "--ligand_index", type=str, default=None, help="A text file containing the path of ligand files in sdf format.") + parser.add_argument("-b", "--bias_file", type=str, default=None, + help="Bias file in bpf format. Default: None.") + parser.add_argument("-mbf", "--multi_bias_file", type=lambda s: s.split(','), default=None, + help="multi Bias file in bpf format separated by commas. Number should be equal to ligands. Default: None.") + parser.add_argument("-mbi", "--multi_bias_index", type=str, default=None, + help="A text file containing the path of multi bias files in bpf format. Number should be equal to ligands. Default: None.") parser.add_argument("-cx", "--center_x", type=float, required=True, help="X-coordinate of the docking box center.") @@ -317,6 +372,8 @@ def get_parser() -> argparse.ArgumentParser: help="Whether to use score_only mode.") parser.add_argument("--local_only", action="store_true", help="Whether to use local_only mode.") + parser.add_argument("--multi_bias", action="store_true", + help="Whether to use multi_bias mode.") parser.add_argument("--seed", type=int, default=181129, help="Uni-Dock random seed") diff --git a/unidock_tools/src/unidock_tools/modules/docking/unidock.py b/unidock_tools/src/unidock_tools/modules/docking/unidock.py index d1ebec8..0fb7f4a 100644 --- a/unidock_tools/src/unidock_tools/modules/docking/unidock.py +++ b/unidock_tools/src/unidock_tools/modules/docking/unidock.py @@ -27,9 +27,11 @@ def __init__(self, max_step: int = 10, energy_range: float = 3.0, refine_step: int = 5, + bias_file: Optional[Path] = None, seed : int = 181129, score_only: bool = False, - local_only: bool = False + local_only: bool = False, + multi_bias: bool = False, ): self.mgltools_python_path = "" self.prepare_gpf4_script_path = "" @@ -86,10 +88,14 @@ def __init__(self, "--verbosity", "2", "--keep_nonpolar_H", ] + if bias_file: + cmd += ["--bias", str(bias_file)] if score_only: cmd.append("--score_only") if local_only: cmd.append("--local_only") + if multi_bias: + cmd.append("--multi_bias") logging.info(f"unidock cmd: {' '.join(cmd)}") self.cmd = cmd @@ -263,9 +269,11 @@ def run_unidock( max_step: int = 10, energy_range: float = 3.0, refine_step: int = 5, + bias_file: Optional[Path] = None, seed: int = 181129, score_only: bool = False, local_only: bool = False, + multi_bias: bool = False, ) -> Tuple[List[Path], List[List[float]]]: runner = UniDockRunner( receptor=receptor, ligands=ligands, @@ -275,8 +283,8 @@ def run_unidock( scoring=scoring, num_modes=num_modes, search_mode=search_mode, exhaustiveness=exhaustiveness, max_step=max_step, - energy_range=energy_range, refine_step=refine_step, seed=seed, - score_only=score_only, local_only=local_only, + energy_range=energy_range, refine_step=refine_step, seed=seed, bias_file=bias_file, + score_only=score_only, local_only=local_only, multi_bias=multi_bias, ) result_ligands = runner.run() scores_list = [UniDockRunner.read_scores(ligand) for ligand in result_ligands] diff --git a/unidock_tools/tests/applications/test_unidock.py b/unidock_tools/tests/applications/test_unidock.py index 3df1df6..8f3bd28 100644 --- a/unidock_tools/tests/applications/test_unidock.py +++ b/unidock_tools/tests/applications/test_unidock.py @@ -34,12 +34,14 @@ def pocket(): 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") + multi_bias_file = os.path.join(testset_dir_path, testset_name, "ligand.bpf") 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, + "multi_bias_file": multi_bias_file if os.path.exists(multi_bias_file) else None } return testset_info @@ -119,6 +121,25 @@ def test_unidock_pipeline_multi_pose(receptor, ligand, pocket): assert -20 <= score <= 0, f"Uni-Dock score not in range: {score}" shutil.rmtree(results_dir, ignore_errors=True) +def test_unidock_pipeline_multi_bias(): + testset_name = "1gkc" + testset_info = get_docking_args(testset_name) + receptor, ligand, pocket, multi_bias_file = testset_info["receptor"], testset_info["ligand"], testset_info["pocket"], testset_info["multi_bias_file"] + results_dir = "unidock_results_multi_bias" + cmd = f"unidocktools unidock_pipeline -r {receptor} -l {ligand} -mbf {multi_bias_file} -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 4 --seed 181129 --multi_bias --debug" + 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, Path(ligand).name) + assert os.path.exists(result_file), f"docking result file not found" + + score_list = read_scores(result_file, "docking_score") + shutil.rmtree(results_dir, ignore_errors=True) @pytest.mark.parametrize("testset_name", testset_name_list) def test_unidock_pipeline_default_arg(testset_name): diff --git a/unidock_tools/tests/inputs/unidock_pipeline/1gkc/docking_grid.json b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/docking_grid.json new file mode 100644 index 0000000..4fb0ba6 --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/docking_grid.json @@ -0,0 +1,8 @@ +{ + "center_x": 40.2, + "center_y": 14.41, + "center_z": 141.58, + "size_x": 16.51, + "size_y": 16.17, + "size_z": 18.82 +} \ No newline at end of file diff --git a/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.bpf b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.bpf new file mode 100644 index 0000000..e13cd9d --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.bpf @@ -0,0 +1,23 @@ +x y z Vset r type atom +40.812 14.326 141.745 -1.00 1.49 map C +41.195 15.202 145.465 -1.00 1.41 map N +41.790 14.064 141.049 -1.00 1.40 map OA +39.236 13.318 139.119 -1.00 1.49 map C +39.553 13.856 141.464 -1.00 1.41 map N +38.239 13.830 138.621 -1.00 1.40 map OA +40.410 13.158 138.399 -1.00 1.41 map N +40.934 15.242 142.960 -1.00 1.49 map C +42.023 16.325 142.803 -1.00 1.49 map C +42.041 17.061 141.448 -1.00 1.49 map C +42.352 15.594 146.097 -1.00 1.49 map C +42.472 15.765 147.306 -1.00 1.40 map OA +41.197 14.416 144.234 -1.00 1.49 map C +40.126 14.875 146.326 -1.00 1.40 map OA +39.301 12.719 140.557 -1.00 1.49 map C +38.068 11.859 140.989 -1.00 1.49 map C +41.056 18.229 141.397 -1.00 1.49 map C +43.458 17.566 141.156 -1.00 1.49 map C +36.930 12.732 141.550 -1.00 1.49 map C +37.533 11.023 139.806 -1.00 1.49 map C +38.478 10.844 142.081 -1.00 1.49 map C +40.378 12.708 137.032 -1.00 1.49 map C diff --git a/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.sdf b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.sdf new file mode 100644 index 0000000..21d1bc5 --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/ligand.sdf @@ -0,0 +1,107 @@ +1GKC ligand + 3D + + 51 50 0 0 1 0 999 V2000 + 41.0934 14.0383 141.8702 C 0 0 0 0 0 0 + 41.8346 15.1186 145.4892 N 0 0 0 0 0 0 + 42.0373 13.3340 141.5168 O 0 0 0 0 0 0 + 39.7692 13.4251 138.9333 C 0 0 0 0 0 0 + 39.8590 13.9070 141.3537 N 0 0 0 0 0 0 + 39.3556 14.5376 138.6133 O 0 0 0 0 0 0 + 40.4448 12.6120 138.1086 N 0 0 0 0 0 0 + 41.3173 15.0785 142.9866 C 0 0 2 0 0 0 + 42.4695 16.0680 142.6365 C 0 0 0 0 0 0 + 42.3216 16.8916 141.3317 C 0 0 0 0 0 0 + 43.0333 15.4532 145.9995 C 0 0 0 0 0 0 + 43.2104 16.1573 146.9924 O 0 0 0 0 0 0 + 41.6055 14.3010 144.2999 C 0 0 0 0 0 0 + 40.7153 15.7294 146.0614 O 0 0 0 0 0 0 + 39.4946 12.8863 140.3562 C 0 0 1 0 0 0 + 38.0521 12.2924 140.5705 C 0 0 0 0 0 0 + 41.0356 17.7322 141.3046 C 0 0 0 0 0 0 + 43.5543 17.7823 141.1169 C 0 0 0 0 0 0 + 37.7476 11.1469 139.5698 C 0 0 0 0 0 0 + 37.9569 11.6901 141.9975 C 0 0 0 0 0 0 + 36.9428 13.3679 140.4439 C 0 0 0 0 0 0 + 40.7560 12.9302 136.7236 C 0 0 0 0 0 0 + 39.1127 14.5146 141.6644 H 0 0 0 0 0 0 + 40.7769 11.7200 138.4563 H 0 0 0 0 0 0 + 40.4097 15.6628 143.1381 H 0 0 0 0 0 0 + 43.4128 15.5186 142.6005 H 0 0 0 0 0 0 + 42.5814 16.7779 143.4562 H 0 0 0 0 0 0 + 42.2798 16.2014 140.4884 H 0 0 0 0 0 0 + 43.8506 15.0170 145.4066 H 0 0 0 0 0 0 + 40.7747 13.6269 144.5204 H 0 0 0 0 0 0 + 42.4791 13.6614 144.1562 H 0 0 0 0 0 0 + 40.3227 15.0122 146.5719 H 0 0 0 0 0 0 + 40.1732 12.0442 140.4999 H 0 0 0 0 0 0 + 41.0187 18.4113 140.4528 H 0 0 0 0 0 0 + 40.1600 17.0922 141.2201 H 0 0 0 0 0 0 + 40.9243 18.3345 142.2044 H 0 0 0 0 0 0 + 43.4856 18.3455 140.1865 H 0 0 0 0 0 0 + 43.6791 18.4984 141.9281 H 0 0 0 0 0 0 + 44.4572 17.1778 141.0688 H 0 0 0 0 0 0 + 36.7529 10.7289 139.7309 H 0 0 0 0 0 0 + 37.7777 11.4837 138.5331 H 0 0 0 0 0 0 + 38.4574 10.3266 139.6757 H 0 0 0 0 0 0 + 36.9834 11.2303 142.1738 H 0 0 0 0 0 0 + 38.7088 10.9155 142.1577 H 0 0 0 0 0 0 + 38.0889 12.4456 142.7733 H 0 0 0 0 0 0 + 35.9519 12.9339 140.5834 H 0 0 0 0 0 0 + 37.0478 14.1488 141.1956 H 0 0 0 0 0 0 + 36.9375 13.8428 139.4628 H 0 0 0 0 0 0 + 40.9353 12.0097 136.1681 H 0 0 0 0 0 0 + 39.9408 13.4669 136.2363 H 0 0 0 0 0 0 + 41.6573 13.5389 136.6646 H 0 0 0 0 0 0 + 1 3 2 0 0 0 + 1 5 1 0 0 0 + 1 8 1 0 0 0 + 2 11 1 0 0 0 + 2 13 1 0 0 0 + 2 14 1 0 0 0 + 4 6 2 0 0 0 + 4 7 1 0 0 0 + 4 15 1 0 0 0 + 5 15 1 0 0 0 + 5 23 1 0 0 0 + 7 22 1 0 0 0 + 7 24 1 0 0 0 + 8 9 1 0 0 0 + 8 13 1 0 0 0 + 8 25 1 0 0 0 + 9 10 1 0 0 0 + 9 26 1 0 0 0 + 9 27 1 0 0 0 + 10 17 1 0 0 0 + 10 18 1 0 0 0 + 10 28 1 0 0 0 + 11 12 2 0 0 0 + 11 29 1 0 0 0 + 13 30 1 0 0 0 + 13 31 1 0 0 0 + 14 32 1 0 0 0 + 15 16 1 0 0 0 + 15 33 1 0 0 0 + 16 19 1 0 0 0 + 16 20 1 0 0 0 + 16 21 1 0 0 0 + 17 34 1 0 0 0 + 17 35 1 0 0 0 + 17 36 1 0 0 0 + 18 37 1 0 0 0 + 18 38 1 0 0 0 + 18 39 1 0 0 0 + 19 40 1 0 0 0 + 19 41 1 0 0 0 + 19 42 1 0 0 0 + 20 43 1 0 0 0 + 20 44 1 0 0 0 + 20 45 1 0 0 0 + 21 46 1 0 0 0 + 21 47 1 0 0 0 + 21 48 1 0 0 0 + 22 49 1 0 0 0 + 22 50 1 0 0 0 + 22 51 1 0 0 0 +M END +$$$$ diff --git a/unidock_tools/tests/inputs/unidock_pipeline/1gkc/protein.pdb b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/protein.pdb new file mode 100644 index 0000000..9a04f2a --- /dev/null +++ b/unidock_tools/tests/inputs/unidock_pipeline/1gkc/protein.pdb @@ -0,0 +1,2419 @@ +HEADER HYDROLASE/HYDROLASE INHIBITOR 10-AUG-01 1GKC +TITLE 1GKC RECEPTOR +CRYST1 56.005 56.005 262.655 90.00 90.00 90.00 P 1 1 +ATOM 1 N ASP B 113 38.505 24.937 161.626 1.00 58.69 B N +ATOM 2 CA ASP B 113 39.357 25.180 160.446 1.00 58.71 B C +ATOM 3 C ASP B 113 40.830 25.080 160.908 1.00 56.49 B C +ATOM 4 O ASP B 113 41.334 25.982 161.580 1.00 56.57 B O +ATOM 5 CB ASP B 113 39.048 26.489 159.659 1.00 61.05 B C +ATOM 6 CG ASP B 113 38.726 27.742 160.489 1.00 62.86 B C +ATOM 7 OD1 ASP B 113 37.593 28.200 160.615 1.00 62.33 B O +ATOM 8 OD2 ASP B 113 39.834 28.304 161.053 1.00 63.37 B O +ATOM 9 H1 ASP B 113 37.527 25.053 161.401 1.00 58.69 B H +ATOM 10 H2 ASP B 113 38.616 23.996 161.975 1.00 58.69 B H +ATOM 11 HA ASP B 113 39.174 24.369 159.737 1.00 58.71 B H +ATOM 12 HB3 ASP B 113 38.180 26.307 159.023 1.00 61.05 B H +ATOM 13 HB2 ASP B 113 39.856 26.723 158.966 1.00 61.05 B H +ATOM 14 HD2 ASP B 113 40.623 27.769 160.924 1.00 63.37 B H +ATOM 15 N LEU B 114 41.485 23.961 160.559 1.00 52.64 B N +ATOM 16 CA LEU B 114 42.859 23.648 160.948 1.00 48.28 B C +ATOM 17 C LEU B 114 43.863 24.329 159.999 1.00 43.58 B C +ATOM 18 O LEU B 114 43.715 24.222 158.782 1.00 42.86 B O +ATOM 19 CB LEU B 114 42.980 22.108 160.992 1.00 48.88 B C +ATOM 20 CG LEU B 114 44.345 21.521 161.408 1.00 50.33 B C +ATOM 21 CD1 LEU B 114 44.841 22.062 162.769 1.00 50.73 B C +ATOM 22 CD2 LEU B 114 44.268 19.979 161.393 1.00 51.89 B C +ATOM 23 H LEU B 114 41.017 23.265 159.998 1.00 52.64 B H +ATOM 24 HA LEU B 114 43.020 24.035 161.955 1.00 48.28 B H +ATOM 25 HB3 LEU B 114 42.718 21.704 160.012 1.00 48.88 B H +ATOM 26 HB2 LEU B 114 42.220 21.731 161.680 1.00 48.88 B H +ATOM 27 HG LEU B 114 45.081 21.812 160.659 1.00 50.33 B H +ATOM 28 HD11 LEU B 114 45.223 21.278 163.422 1.00 50.73 B H +ATOM 29 HD12 LEU B 114 45.652 22.777 162.625 1.00 50.73 B H +ATOM 30 HD13 LEU B 114 44.053 22.568 163.325 1.00 50.73 B H +ATOM 31 HD21 LEU B 114 44.866 19.516 162.178 1.00 51.89 B H +ATOM 32 HD22 LEU B 114 43.246 19.618 161.512 1.00 51.89 B H +ATOM 33 HD23 LEU B 114 44.632 19.587 160.445 1.00 51.89 B H +ATOM 34 N LYS B 115 44.853 25.021 160.586 1.00 37.78 B N +ATOM 35 CA LYS B 115 45.853 25.818 159.873 1.00 34.84 B C +ATOM 36 C LYS B 115 47.228 25.716 160.554 1.00 32.44 B C +ATOM 37 O LYS B 115 47.314 25.290 161.708 1.00 31.94 B O +ATOM 38 CB LYS B 115 45.361 27.280 159.750 1.00 35.26 B C +ATOM 39 CG LYS B 115 45.352 28.110 161.050 1.00 39.03 B C +ATOM 40 CD LYS B 115 45.172 29.606 160.765 1.00 38.56 B C +ATOM 41 CE LYS B 115 45.310 30.474 162.024 1.00 41.04 B C +ATOM 42 NZ LYS B 115 45.176 31.908 161.711 1.00 41.35 B N1+ +ATOM 43 H LYS B 115 44.926 25.034 161.594 1.00 37.78 B H +ATOM 44 HA LYS B 115 45.969 25.433 158.864 1.00 34.84 B H +ATOM 45 HB3 LYS B 115 44.375 27.306 159.284 1.00 35.26 B H +ATOM 46 HB2 LYS B 115 46.021 27.786 159.046 1.00 35.26 B H +ATOM 47 HG3 LYS B 115 46.280 27.981 161.606 1.00 39.03 B H +ATOM 48 HG2 LYS B 115 44.553 27.758 161.704 1.00 39.03 B H +ATOM 49 HD3 LYS B 115 44.196 29.767 160.304 1.00 38.56 B H +ATOM 50 HD2 LYS B 115 45.917 29.914 160.029 1.00 38.56 B H +ATOM 51 HE3 LYS B 115 46.285 30.312 162.487 1.00 41.04 B H +ATOM 52 HE2 LYS B 115 44.554 30.199 162.760 1.00 41.04 B H +ATOM 53 HZ1 LYS B 115 44.267 32.081 161.307 1.00 41.35 B H +ATOM 54 HZ2 LYS B 115 45.283 32.456 162.553 1.00 41.35 B H +ATOM 55 HZ3 LYS B 115 45.885 32.174 161.042 1.00 41.35 B H +ATOM 56 N TRP B 116 48.274 26.169 159.839 1.00 30.35 B N +ATOM 57 CA TRP B 116 49.605 26.407 160.406 1.00 30.31 B C +ATOM 58 C TRP B 116 49.597 27.666 161.289 1.00 31.82 B C +ATOM 59 O TRP B 116 48.988 28.670 160.915 1.00 32.51 B O +ATOM 60 CB TRP B 116 50.656 26.561 159.288 1.00 27.93 B C +ATOM 61 CG TRP B 116 50.780 25.426 158.316 1.00 27.86 B C +ATOM 62 CD1 TRP B 116 50.403 25.470 157.019 1.00 26.75 B C +ATOM 63 CD2 TRP B 116 51.278 24.070 158.541 1.00 26.96 B C +ATOM 64 NE1 TRP B 116 50.660 24.258 156.421 1.00 23.61 B N +ATOM 65 CE2 TRP B 116 51.195 23.353 157.309 1.00 27.29 B C +ATOM 66 CE3 TRP B 116 51.786 23.364 159.657 1.00 23.04 B C +ATOM 67 CZ2 TRP B 116 51.597 22.013 157.187 1.00 24.46 B C +ATOM 68 CZ3 TRP B 116 52.186 22.016 159.550 1.00 23.32 B C +ATOM 69 CH2 TRP B 116 52.085 21.336 158.320 1.00 23.78 B C +ATOM 70 H TRP B 116 48.127 26.508 158.897 1.00 30.35 B H +ATOM 71 HA TRP B 116 49.878 25.542 161.015 1.00 30.31 B H +ATOM 72 HB3 TRP B 116 51.641 26.708 159.735 1.00 27.93 B H +ATOM 73 HB2 TRP B 116 50.456 27.469 158.716 1.00 27.93 B H +ATOM 74 HD1 TRP B 116 49.983 26.338 156.536 1.00 26.75 B H +ATOM 75 HE1 TRP B 116 50.432 24.059 155.455 1.00 23.61 B H +ATOM 76 HE3 TRP B 116 51.865 23.867 160.609 1.00 23.04 B H +ATOM 77 HZ2 TRP B 116 51.523 21.516 156.232 1.00 24.46 B H +ATOM 78 HZ3 TRP B 116 52.571 21.500 160.417 1.00 23.32 B H +ATOM 79 HH2 TRP B 116 52.394 20.304 158.243 1.00 23.78 B H +ATOM 80 N HIS B 117 50.297 27.593 162.430 1.00 31.20 B N +ATOM 81 CA HIS B 117 50.468 28.714 163.362 1.00 31.82 B C +ATOM 82 C HIS B 117 51.705 29.579 163.049 1.00 30.66 B C +ATOM 83 O HIS B 117 51.884 30.611 163.694 1.00 34.99 B O +ATOM 84 CB HIS B 117 50.494 28.176 164.809 1.00 31.55 B C +ATOM 85 CG HIS B 117 49.242 27.456 165.264 1.00 32.54 B C +ATOM 86 ND1 HIS B 117 48.005 27.613 164.657 1.00 33.18 B N +ATOM 87 CD2 HIS B 117 49.036 26.547 166.278 1.00 32.52 B C +ATOM 88 CE1 HIS B 117 47.141 26.828 165.303 1.00 32.64 B C +ATOM 89 NE2 HIS B 117 47.695 26.154 166.304 1.00 34.29 B N +ATOM 90 H HIS B 117 50.767 26.734 162.677 1.00 31.20 B H +ATOM 91 HA HIS B 117 49.612 29.387 163.280 1.00 31.82 B H +ATOM 92 HB3 HIS B 117 50.662 28.996 165.509 1.00 31.55 B H +ATOM 93 HB2 HIS B 117 51.337 27.496 164.933 1.00 31.55 B H +ATOM 94 HD1 HIS B 117 47.799 28.199 163.860 1.00 33.18 B H +ATOM 95 HD2 HIS B 117 49.744 26.148 166.989 1.00 32.52 B H +ATOM 96 HE1 HIS B 117 46.098 26.745 165.036 1.00 32.64 B H +ATOM 97 N HIS B 118 52.512 29.160 162.061 1.00 28.55 B N +ATOM 98 CA HIS B 118 53.692 29.857 161.557 1.00 25.56 B C +ATOM 99 C HIS B 118 53.536 30.092 160.046 1.00 25.78 B C +ATOM 100 O HIS B 118 52.897 29.290 159.361 1.00 26.11 B O +ATOM 101 CB HIS B 118 54.945 29.014 161.879 1.00 25.76 B C +ATOM 102 CG HIS B 118 55.032 27.664 161.202 1.00 25.72 B C +ATOM 103 ND1 HIS B 118 54.208 26.585 161.547 1.00 24.79 B N +ATOM 104 CD2 HIS B 118 55.880 27.272 160.189 1.00 24.52 B C +ATOM 105 CE1 HIS B 118 54.588 25.600 160.744 1.00 22.93 B C +ATOM 106 NE2 HIS B 118 55.571 25.952 159.918 1.00 23.07 B N +ATOM 107 H HIS B 118 52.289 28.300 161.581 1.00 28.55 B H +ATOM 108 HA HIS B 118 53.792 30.828 162.046 1.00 25.56 B H +ATOM 109 HB3 HIS B 118 55.010 28.854 162.956 1.00 25.76 B H +ATOM 110 HB2 HIS B 118 55.837 29.580 161.614 1.00 25.76 B H +ATOM 111 HD2 HIS B 118 56.656 27.805 159.662 1.00 24.52 B H +ATOM 112 HE1 HIS B 118 54.158 24.610 160.765 1.00 22.93 B H +ATOM 113 HE2 HIS B 118 56.028 25.349 159.243 1.00 23.07 B H +ATOM 114 N HIS B 119 54.131 31.193 159.558 1.00 25.82 B N +ATOM 115 CA HIS B 119 54.067 31.598 158.150 1.00 25.15 B C +ATOM 116 C HIS B 119 55.300 31.174 157.334 1.00 24.84 B C +ATOM 117 O HIS B 119 55.189 31.077 156.112 1.00 24.51 B O +ATOM 118 CB HIS B 119 53.832 33.120 158.052 1.00 25.12 B C +ATOM 119 CG HIS B 119 52.521 33.631 158.610 1.00 26.86 B C +ATOM 120 ND1 HIS B 119 51.427 32.821 158.878 1.00 26.98 B N +ATOM 121 CD2 HIS B 119 52.124 34.902 158.961 1.00 25.46 B C +ATOM 122 CE1 HIS B 119 50.456 33.606 159.349 1.00 29.50 B C +ATOM 123 NE2 HIS B 119 50.807 34.883 159.425 1.00 28.22 B N +ATOM 124 H HIS B 119 54.636 31.808 160.179 1.00 25.82 B H +ATOM 125 HA HIS B 119 53.219 31.107 157.678 1.00 25.15 B H +ATOM 126 HB3 HIS B 119 53.875 33.436 157.009 1.00 25.12 B H +ATOM 127 HB2 HIS B 119 54.640 33.651 158.557 1.00 25.12 B H +ATOM 128 HD1 HIS B 119 51.375 31.820 158.745 1.00 26.98 B H +ATOM 129 HD2 HIS B 119 52.680 35.827 158.910 1.00 25.46 B H +ATOM 130 HE1 HIS B 119 49.482 33.239 159.641 1.00 29.50 B H +ATOM 131 N ASN B 120 56.434 30.905 158.004 1.00 23.92 B N +ATOM 132 CA ASN B 120 57.694 30.453 157.402 1.00 23.42 B C +ATOM 133 C ASN B 120 57.707 28.926 157.183 1.00 23.79 B C +ATOM 134 O ASN B 120 58.560 28.221 157.723 1.00 22.99 B O +ATOM 135 CB ASN B 120 58.907 30.999 158.205 1.00 24.61 B C +ATOM 136 CG ASN B 120 59.000 30.575 159.681 1.00 27.08 B C +ATOM 137 OD1 ASN B 120 58.012 30.585 160.411 1.00 28.75 B O +ATOM 138 ND2 ASN B 120 60.205 30.220 160.131 1.00 24.54 B N +ATOM 139 H ASN B 120 56.444 30.986 159.011 1.00 23.92 B H +ATOM 140 HA ASN B 120 57.764 30.899 156.411 1.00 23.42 B H +ATOM 141 HB3 ASN B 120 58.878 32.089 158.188 1.00 24.61 B H +ATOM 142 HB2 ASN B 120 59.828 30.721 157.691 1.00 24.61 B H +ATOM 143 HD22 ASN B 120 60.319 29.938 161.094 1.00 24.54 B H +ATOM 144 HD21 ASN B 120 61.004 30.216 159.514 1.00 24.54 B H +ATOM 145 N ILE B 121 56.736 28.448 156.390 1.00 23.12 B N +ATOM 146 CA ILE B 121 56.517 27.042 156.060 1.00 24.05 B C +ATOM 147 C ILE B 121 57.675 26.472 155.217 1.00 23.08 B C +ATOM 148 O ILE B 121 58.236 27.177 154.378 1.00 25.00 B O +ATOM 149 CB ILE B 121 55.160 26.863 155.313 1.00 25.87 B C +ATOM 150 CG1 ILE B 121 53.982 27.256 156.238 1.00 26.83 B C +ATOM 151 CG2 ILE B 121 54.917 25.452 154.725 1.00 25.54 B C +ATOM 152 CD1 ILE B 121 52.676 27.540 155.489 1.00 31.75 B C +ATOM 153 H ILE B 121 56.089 29.102 155.969 1.00 23.12 B H +ATOM 154 HA ILE B 121 56.468 26.493 157.002 1.00 24.05 B H +ATOM 155 HB ILE B 121 55.159 27.559 154.472 1.00 25.87 B H +ATOM 156 HG13 ILE B 121 54.219 28.150 156.817 1.00 26.83 B H +ATOM 157 HG12 ILE B 121 53.815 26.471 156.977 1.00 26.83 B H +ATOM 158 HG21 ILE B 121 53.941 25.382 154.250 1.00 25.54 B H +ATOM 159 HG22 ILE B 121 55.644 25.185 153.958 1.00 25.54 B H +ATOM 160 HG23 ILE B 121 54.954 24.692 155.504 1.00 25.54 B H +ATOM 161 HD11 ILE B 121 51.941 27.988 156.157 1.00 31.75 B H +ATOM 162 HD12 ILE B 121 52.831 28.223 154.654 1.00 31.75 B H +ATOM 163 HD13 ILE B 121 52.244 26.621 155.101 1.00 31.75 B H +ATOM 164 N THR B 122 58.011 25.203 155.481 1.00 21.12 B N +ATOM 165 CA THR B 122 59.084 24.469 154.819 1.00 19.30 B C +ATOM 166 C THR B 122 58.519 23.230 154.098 1.00 18.87 B C +ATOM 167 O THR B 122 57.468 22.714 154.481 1.00 17.08 B O +ATOM 168 CB THR B 122 60.155 24.016 155.846 1.00 18.41 B C +ATOM 169 OG1 THR B 122 59.617 23.155 156.829 1.00 18.81 B O +ATOM 170 CG2 THR B 122 60.844 25.190 156.557 1.00 14.91 B C +ATOM 171 H THR B 122 57.506 24.694 156.197 1.00 21.12 B H +ATOM 172 HA THR B 122 59.555 25.112 154.082 1.00 19.30 B H +ATOM 173 HB THR B 122 60.927 23.451 155.321 1.00 18.41 B H +ATOM 174 HG1 THR B 122 58.995 23.651 157.373 1.00 18.81 B H +ATOM 175 HG21 THR B 122 61.622 24.835 157.234 1.00 14.91 B H +ATOM 176 HG22 THR B 122 61.318 25.857 155.837 1.00 14.91 B H +ATOM 177 HG23 THR B 122 60.140 25.780 157.144 1.00 14.91 B H +ATOM 178 N TYR B 123 59.233 22.783 153.051 1.00 18.82 B N +ATOM 179 CA TYR B 123 58.853 21.632 152.232 1.00 17.71 B C +ATOM 180 C TYR B 123 60.093 20.842 151.790 1.00 14.81 B C +ATOM 181 O TYR B 123 61.178 21.410 151.683 1.00 14.65 B O +ATOM 182 CB TYR B 123 57.981 22.096 151.040 1.00 14.12 B C +ATOM 183 CG TYR B 123 58.683 22.833 149.909 1.00 14.85 B C +ATOM 184 CD1 TYR B 123 58.776 24.240 149.931 1.00 15.43 B C +ATOM 185 CD2 TYR B 123 59.205 22.118 148.809 1.00 15.15 B C +ATOM 186 CE1 TYR B 123 59.365 24.928 148.852 1.00 12.87 B C +ATOM 187 CE2 TYR B 123 59.797 22.805 147.732 1.00 15.56 B C +ATOM 188 CZ TYR B 123 59.867 24.211 147.748 1.00 17.67 B C +ATOM 189 OH TYR B 123 60.421 24.876 146.693 1.00 20.47 B O +ATOM 190 H TYR B 123 60.082 23.261 152.778 1.00 18.82 B H +ATOM 191 HA TYR B 123 58.262 20.959 152.851 1.00 17.71 B H +ATOM 192 HB3 TYR B 123 57.152 22.708 151.400 1.00 14.12 B H +ATOM 193 HB2 TYR B 123 57.508 21.222 150.592 1.00 14.12 B H +ATOM 194 HD1 TYR B 123 58.382 24.797 150.770 1.00 15.43 B H +ATOM 195 HD2 TYR B 123 59.143 21.040 148.783 1.00 15.15 B H +ATOM 196 HE1 TYR B 123 59.423 26.006 148.872 1.00 12.87 B H +ATOM 197 HE2 TYR B 123 60.187 22.252 146.891 1.00 15.56 B H +ATOM 198 HH TYR B 123 60.404 25.830 146.799 1.00 20.47 B H +ATOM 199 N TRP B 124 59.889 19.545 151.514 1.00 12.91 B N +ATOM 200 CA TRP B 124 60.923 18.622 151.049 1.00 14.27 B C +ATOM 201 C TRP B 124 60.370 17.756 149.915 1.00 15.49 B C +ATOM 202 O TRP B 124 59.373 17.067 150.114 1.00 13.62 B O +ATOM 203 CB TRP B 124 61.432 17.768 152.232 1.00 16.23 B C +ATOM 204 CG TRP B 124 62.343 16.609 151.934 1.00 16.27 B C +ATOM 205 CD1 TRP B 124 63.376 16.617 151.061 1.00 17.04 B C +ATOM 206 CD2 TRP B 124 62.362 15.286 152.555 1.00 17.47 B C +ATOM 207 NE1 TRP B 124 64.020 15.398 151.088 1.00 16.74 B N +ATOM 208 CE2 TRP B 124 63.443 14.538 151.997 1.00 17.45 B C +ATOM 209 CE3 TRP B 124 61.577 14.637 153.537 1.00 17.63 B C +ATOM 210 CZ2 TRP B 124 63.730 13.219 152.393 1.00 18.60 B C +ATOM 211 CZ3 TRP B 124 61.852 13.315 153.942 1.00 18.18 B C +ATOM 212 CH2 TRP B 124 62.928 12.606 153.374 1.00 18.22 B C +ATOM 213 H TRP B 124 58.961 19.155 151.607 1.00 12.91 B H +ATOM 214 HA TRP B 124 61.767 19.181 150.641 1.00 14.27 B H +ATOM 215 HB3 TRP B 124 60.576 17.365 152.776 1.00 16.23 B H +ATOM 216 HB2 TRP B 124 61.963 18.412 152.931 1.00 16.23 B H +ATOM 217 HD1 TRP B 124 63.645 17.458 150.440 1.00 17.04 B H +ATOM 218 HE1 TRP B 124 64.817 15.189 150.503 1.00 16.74 B H +ATOM 219 HE3 TRP B 124 60.755 15.168 153.989 1.00 17.63 B H +ATOM 220 HZ2 TRP B 124 64.555 12.683 151.949 1.00 18.60 B H +ATOM 221 HZ3 TRP B 124 61.237 12.846 154.696 1.00 18.18 B H +ATOM 222 HH2 TRP B 124 63.137 11.594 153.687 1.00 18.22 B H +ATOM 223 N ILE B 125 61.075 17.768 148.774 1.00 12.10 B N +ATOM 224 CA ILE B 125 60.835 16.881 147.639 1.00 13.59 B C +ATOM 225 C ILE B 125 61.676 15.609 147.862 1.00 13.64 B C +ATOM 226 O ILE B 125 62.883 15.614 147.613 1.00 14.54 B O +ATOM 227 CB ILE B 125 61.207 17.575 146.293 1.00 14.78 B C +ATOM 228 CG1 ILE B 125 60.340 18.842 146.073 1.00 13.64 B C +ATOM 229 CG2 ILE B 125 61.101 16.641 145.065 1.00 10.29 B C +ATOM 230 CD1 ILE B 125 60.903 19.807 145.021 1.00 12.29 B C +ATOM 231 H ILE B 125 61.891 18.357 148.704 1.00 12.10 B H +ATOM 232 HA ILE B 125 59.782 16.600 147.593 1.00 13.59 B H +ATOM 233 HB ILE B 125 62.246 17.903 146.362 1.00 14.78 B H +ATOM 234 HG13 ILE B 125 60.237 19.408 146.998 1.00 13.64 B H +ATOM 235 HG12 ILE B 125 59.326 18.548 145.801 1.00 13.64 B H +ATOM 236 HG21 ILE B 125 61.359 17.160 144.143 1.00 10.29 B H +ATOM 237 HG22 ILE B 125 61.777 15.787 145.129 1.00 10.29 B H +ATOM 238 HG23 ILE B 125 60.088 16.253 144.951 1.00 10.29 B H +ATOM 239 HD11 ILE B 125 60.342 20.741 145.010 1.00 12.29 B H +ATOM 240 HD12 ILE B 125 61.946 20.049 145.219 1.00 12.29 B H +ATOM 241 HD13 ILE B 125 60.842 19.381 144.021 1.00 12.29 B H +ATOM 242 N GLN B 126 61.016 14.571 148.403 1.00 13.68 B N +ATOM 243 CA GLN B 126 61.609 13.296 148.815 1.00 15.77 B C +ATOM 244 C GLN B 126 62.130 12.465 147.629 1.00 18.55 B C +ATOM 245 O GLN B 126 63.215 11.893 147.723 1.00 18.76 B O +ATOM 246 CB GLN B 126 60.551 12.517 149.627 1.00 14.28 B C +ATOM 247 CG GLN B 126 61.029 11.190 150.248 1.00 19.68 B C +ATOM 248 CD GLN B 126 59.873 10.434 150.903 1.00 22.52 B C +ATOM 249 OE1 GLN B 126 59.398 9.436 150.367 1.00 28.95 B O +ATOM 250 NE2 GLN B 126 59.406 10.912 152.058 1.00 19.79 B N +ATOM 251 H GLN B 126 60.024 14.663 148.583 1.00 13.68 B H +ATOM 252 HA GLN B 126 62.454 13.516 149.469 1.00 15.77 B H +ATOM 253 HB3 GLN B 126 59.699 12.309 148.979 1.00 14.28 B H +ATOM 254 HB2 GLN B 126 60.174 13.162 150.423 1.00 14.28 B H +ATOM 255 HG3 GLN B 126 61.811 11.373 150.984 1.00 19.68 B H +ATOM 256 HG2 GLN B 126 61.463 10.538 149.490 1.00 19.68 B H +ATOM 257 HE22 GLN B 126 58.629 10.456 152.514 1.00 19.79 B H +ATOM 258 HE21 GLN B 126 59.810 11.740 152.471 1.00 19.79 B H +ATOM 259 N ASN B 127 61.340 12.422 146.546 1.00 19.57 B N +ATOM 260 CA ASN B 127 61.624 11.675 145.321 1.00 17.91 B C +ATOM 261 C ASN B 127 60.925 12.338 144.119 1.00 19.24 B C +ATOM 262 O ASN B 127 60.330 13.409 144.264 1.00 19.36 B O +ATOM 263 CB ASN B 127 61.325 10.156 145.499 1.00 17.29 B C +ATOM 264 CG ASN B 127 59.855 9.770 145.713 1.00 18.23 B C +ATOM 265 OD1 ASN B 127 58.994 10.623 145.899 1.00 20.83 B O +ATOM 266 ND2 ASN B 127 59.557 8.471 145.688 1.00 18.51 B N +ATOM 267 H ASN B 127 60.472 12.938 146.544 1.00 19.57 B H +ATOM 268 HA ASN B 127 62.689 11.776 145.105 1.00 17.91 B H +ATOM 269 HB3 ASN B 127 61.897 9.769 146.343 1.00 17.29 B H +ATOM 270 HB2 ASN B 127 61.689 9.612 144.626 1.00 17.29 B H +ATOM 271 HD22 ASN B 127 58.597 8.173 145.801 1.00 18.51 B H +ATOM 272 HD21 ASN B 127 60.276 7.778 145.538 1.00 18.51 B H +ATOM 273 N TYR B 128 61.060 11.707 142.943 1.00 18.73 B N +ATOM 274 CA TYR B 128 60.680 12.272 141.649 1.00 14.58 B C +ATOM 275 C TYR B 128 59.872 11.278 140.810 1.00 14.07 B C +ATOM 276 O TYR B 128 60.008 10.066 140.977 1.00 12.64 B O +ATOM 277 CB TYR B 128 61.967 12.663 140.895 1.00 15.39 B C +ATOM 278 CG TYR B 128 62.708 13.824 141.524 1.00 13.70 B C +ATOM 279 CD1 TYR B 128 63.740 13.604 142.460 1.00 12.60 B C +ATOM 280 CD2 TYR B 128 62.339 15.139 141.187 1.00 15.12 B C +ATOM 281 CE1 TYR B 128 64.395 14.699 143.055 1.00 11.44 B C +ATOM 282 CE2 TYR B 128 63.000 16.231 141.768 1.00 11.78 B C +ATOM 283 CZ TYR B 128 64.032 16.013 142.700 1.00 13.63 B C +ATOM 284 OH TYR B 128 64.683 17.073 143.252 1.00 11.62 B O +ATOM 285 H TYR B 128 61.526 10.812 142.905 1.00 18.73 B H +ATOM 286 HA TYR B 128 60.067 13.165 141.785 1.00 14.58 B H +ATOM 287 HB3 TYR B 128 61.728 12.949 139.869 1.00 15.39 B H +ATOM 288 HB2 TYR B 128 62.638 11.806 140.812 1.00 15.39 B H +ATOM 289 HD1 TYR B 128 64.024 12.598 142.732 1.00 12.60 B H +ATOM 290 HD2 TYR B 128 61.550 15.315 140.477 1.00 15.12 B H +ATOM 291 HE1 TYR B 128 65.180 14.530 143.776 1.00 11.44 B H +ATOM 292 HE2 TYR B 128 62.708 17.229 141.481 1.00 11.78 B H +ATOM 293 HH TYR B 128 64.293 17.913 142.974 1.00 11.62 B H +ATOM 294 N SER B 129 59.088 11.843 139.878 1.00 15.52 B N +ATOM 295 CA SER B 129 58.451 11.130 138.777 1.00 17.11 B C +ATOM 296 C SER B 129 59.492 10.731 137.718 1.00 20.19 B C +ATOM 297 O SER B 129 60.406 11.508 137.438 1.00 19.00 B O +ATOM 298 CB SER B 129 57.360 12.039 138.170 1.00 17.11 B C +ATOM 299 OG SER B 129 56.714 11.438 137.068 1.00 14.91 B O +ATOM 300 H SER B 129 59.033 12.850 139.830 1.00 15.52 B H +ATOM 301 HA SER B 129 57.982 10.231 139.177 1.00 17.11 B H +ATOM 302 HB3 SER B 129 57.778 12.991 137.844 1.00 17.11 B H +ATOM 303 HB2 SER B 129 56.603 12.266 138.916 1.00 17.11 B H +ATOM 304 HG SER B 129 56.208 10.687 137.400 1.00 14.91 B H +ATOM 305 N GLU B 130 59.293 9.549 137.114 1.00 23.95 B N +ATOM 306 CA GLU B 130 60.074 9.064 135.971 1.00 27.98 B C +ATOM 307 C GLU B 130 59.768 9.811 134.657 1.00 26.19 B C +ATOM 308 O GLU B 130 60.571 9.734 133.728 1.00 27.48 B O +ATOM 309 CB GLU B 130 59.809 7.559 135.774 1.00 33.47 B C +ATOM 310 CG GLU B 130 60.128 6.688 137.005 1.00 40.62 B C +ATOM 311 CD GLU B 130 59.915 5.201 136.704 1.00 45.97 B C +ATOM 312 OE1 GLU B 130 60.922 4.528 136.393 1.00 47.09 B O +ATOM 313 OE2 GLU B 130 58.743 4.765 136.774 1.00 47.02 B O1- +ATOM 314 H GLU B 130 58.532 8.957 137.416 1.00 23.95 B H +ATOM 315 HA GLU B 130 61.134 9.202 136.193 1.00 27.98 B H +ATOM 316 HB3 GLU B 130 60.393 7.199 134.925 1.00 33.47 B H +ATOM 317 HB2 GLU B 130 58.764 7.415 135.495 1.00 33.47 B H +ATOM 318 HG3 GLU B 130 59.499 6.970 137.850 1.00 40.62 B H +ATOM 319 HG2 GLU B 130 61.158 6.858 137.323 1.00 40.62 B H +ATOM 320 N ASP B 131 58.608 10.487 134.592 1.00 23.99 B N +ATOM 321 CA ASP B 131 58.073 11.137 133.394 1.00 21.74 B C +ATOM 322 C ASP B 131 58.783 12.455 133.056 1.00 22.03 B C +ATOM 323 O ASP B 131 58.989 12.719 131.875 1.00 21.61 B O +ATOM 324 CB ASP B 131 56.543 11.369 133.479 1.00 22.01 B C +ATOM 325 CG ASP B 131 55.717 10.133 133.875 1.00 18.40 B C +ATOM 326 OD1 ASP B 131 56.056 9.007 133.451 1.00 21.04 B O +ATOM 327 OD2 ASP B 131 54.673 10.327 134.530 1.00 17.97 B O1- +ATOM 328 H ASP B 131 58.015 10.520 135.411 1.00 23.99 B H +ATOM 329 HA ASP B 131 58.256 10.463 132.554 1.00 21.74 B H +ATOM 330 HB3 ASP B 131 56.166 11.713 132.515 1.00 22.01 B H +ATOM 331 HB2 ASP B 131 56.340 12.163 134.200 1.00 22.01 B H +ATOM 332 N LEU B 132 59.139 13.254 134.076 1.00 19.22 B N +ATOM 333 CA LEU B 132 59.738 14.580 133.903 1.00 17.22 B C +ATOM 334 C LEU B 132 61.142 14.629 134.548 1.00 17.81 B C +ATOM 335 O LEU B 132 61.375 13.900 135.513 1.00 20.83 B O +ATOM 336 CB LEU B 132 58.801 15.634 134.542 1.00 16.52 B C +ATOM 337 CG LEU B 132 57.447 15.832 133.817 1.00 20.26 B C +ATOM 338 CD1 LEU B 132 56.515 16.757 134.630 1.00 18.39 B C +ATOM 339 CD2 LEU B 132 57.622 16.313 132.360 1.00 19.31 B C +ATOM 340 H LEU B 132 58.985 12.951 135.027 1.00 19.22 B H +ATOM 341 HA LEU B 132 59.819 14.787 132.841 1.00 17.22 B H +ATOM 342 HB3 LEU B 132 59.310 16.597 134.595 1.00 16.52 B H +ATOM 343 HB2 LEU B 132 58.605 15.343 135.574 1.00 16.52 B H +ATOM 344 HG LEU B 132 56.949 14.862 133.776 1.00 20.26 B H +ATOM 345 HD11 LEU B 132 55.583 16.248 134.876 1.00 18.39 B H +ATOM 346 HD12 LEU B 132 56.972 17.064 135.571 1.00 18.39 B H +ATOM 347 HD13 LEU B 132 56.252 17.671 134.098 1.00 18.39 B H +ATOM 348 HD21 LEU B 132 56.924 17.105 132.087 1.00 19.31 B H +ATOM 349 HD22 LEU B 132 58.626 16.696 132.174 1.00 19.31 B H +ATOM 350 HD23 LEU B 132 57.454 15.490 131.664 1.00 19.31 B H +ATOM 351 N PRO B 133 62.044 15.514 134.049 1.00 17.25 B N +ATOM 352 CA PRO B 133 63.324 15.829 134.724 1.00 17.25 B C +ATOM 353 C PRO B 133 63.139 16.438 136.125 1.00 15.64 B C +ATOM 354 O PRO B 133 62.098 17.044 136.385 1.00 15.44 B O +ATOM 355 CB PRO B 133 64.005 16.849 133.785 1.00 14.93 B C +ATOM 356 CG PRO B 133 63.312 16.689 132.446 1.00 15.96 B C +ATOM 357 CD PRO B 133 61.892 16.334 132.846 1.00 15.36 B C +ATOM 358 HA PRO B 133 63.915 14.913 134.779 1.00 17.25 B H +ATOM 359 HB3 PRO B 133 65.082 16.693 133.708 1.00 14.93 B H +ATOM 360 HB2 PRO B 133 63.852 17.871 134.137 1.00 14.93 B H +ATOM 361 HG3 PRO B 133 63.756 15.853 131.904 1.00 15.96 B H +ATOM 362 HG2 PRO B 133 63.374 17.573 131.812 1.00 15.96 B H +ATOM 363 HD2 PRO B 133 61.320 17.221 133.099 1.00 15.36 B H +ATOM 364 HD3 PRO B 133 61.388 15.850 132.018 1.00 15.36 B H +ATOM 365 N ARG B 134 64.172 16.311 136.980 1.00 16.42 B N +ATOM 366 CA ARG B 134 64.203 16.927 138.313 1.00 16.86 B C +ATOM 367 C ARG B 134 63.988 18.448 138.288 1.00 16.07 B C +ATOM 368 O ARG B 134 63.191 18.934 139.083 1.00 15.45 B O +ATOM 369 CB ARG B 134 65.515 16.614 139.059 1.00 18.20 B C +ATOM 370 CG ARG B 134 65.747 15.128 139.367 1.00 22.57 B C +ATOM 371 CD ARG B 134 66.936 14.938 140.325 1.00 21.69 B C +ATOM 372 NE ARG B 134 67.019 13.563 140.848 1.00 26.97 B N +ATOM 373 CZ ARG B 134 67.531 13.168 142.031 1.00 28.81 B C +ATOM 374 NH1 ARG B 134 68.070 14.030 142.909 1.00 24.33 B N +ATOM 375 NH2 ARG B 134 67.500 11.867 142.345 1.00 28.78 B N1+ +ATOM 376 H ARG B 134 64.996 15.801 136.699 1.00 16.42 B H +ATOM 377 HA ARG B 134 63.377 16.494 138.879 1.00 16.86 B H +ATOM 378 HB3 ARG B 134 65.496 17.151 140.010 1.00 18.20 B H +ATOM 379 HB2 ARG B 134 66.368 17.013 138.509 1.00 18.20 B H +ATOM 380 HG3 ARG B 134 65.990 14.652 138.416 1.00 22.57 B H +ATOM 381 HG2 ARG B 134 64.848 14.632 139.733 1.00 22.57 B H +ATOM 382 HD3 ARG B 134 66.959 15.709 141.096 1.00 21.69 B H +ATOM 383 HD2 ARG B 134 67.854 15.055 139.748 1.00 21.69 B H +ATOM 384 HE ARG B 134 66.642 12.852 140.237 1.00 26.97 B H +ATOM 385 HH12 ARG B 134 68.447 13.707 143.788 1.00 24.33 B H +ATOM 386 HH11 ARG B 134 68.095 15.016 142.692 1.00 24.33 B H +ATOM 387 HH22 ARG B 134 67.876 11.543 143.225 1.00 28.78 B H +ATOM 388 HH21 ARG B 134 67.103 11.195 141.704 1.00 28.78 B H +ATOM 389 N ALA B 135 64.650 19.150 137.350 1.00 14.39 B N +ATOM 390 CA ALA B 135 64.538 20.597 137.151 1.00 16.40 B C +ATOM 391 C ALA B 135 63.114 21.079 136.822 1.00 16.67 B C +ATOM 392 O ALA B 135 62.720 22.138 137.308 1.00 18.93 B O +ATOM 393 CB ALA B 135 65.519 21.026 136.049 1.00 17.38 B C +ATOM 394 H ALA B 135 65.277 18.665 136.726 1.00 14.39 B H +ATOM 395 HA ALA B 135 64.841 21.079 138.083 1.00 16.40 B H +ATOM 396 HB1 ALA B 135 65.451 22.096 135.850 1.00 17.38 B H +ATOM 397 HB2 ALA B 135 66.549 20.812 136.337 1.00 17.38 B H +ATOM 398 HB3 ALA B 135 65.320 20.499 135.115 1.00 17.38 B H +ATOM 399 N VAL B 136 62.367 20.288 136.029 1.00 15.47 B N +ATOM 400 CA VAL B 136 60.966 20.544 135.686 1.00 13.65 B C +ATOM 401 C VAL B 136 60.031 20.329 136.891 1.00 14.22 B C +ATOM 402 O VAL B 136 59.124 21.136 137.085 1.00 13.15 B O +ATOM 403 CB VAL B 136 60.496 19.659 134.491 1.00 14.12 B C +ATOM 404 CG1 VAL B 136 58.980 19.687 134.205 1.00 9.73 B C +ATOM 405 CG2 VAL B 136 61.248 20.019 133.195 1.00 12.36 B C +ATOM 406 H VAL B 136 62.754 19.418 135.694 1.00 15.47 B H +ATOM 407 HA VAL B 136 60.869 21.589 135.392 1.00 13.65 B H +ATOM 408 HB VAL B 136 60.745 18.628 134.735 1.00 14.12 B H +ATOM 409 HG11 VAL B 136 58.738 19.120 133.306 1.00 9.73 B H +ATOM 410 HG12 VAL B 136 58.393 19.250 135.013 1.00 9.73 B H +ATOM 411 HG13 VAL B 136 58.640 20.710 134.052 1.00 9.73 B H +ATOM 412 HG21 VAL B 136 60.942 19.382 132.366 1.00 12.36 B H +ATOM 413 HG22 VAL B 136 61.045 21.047 132.895 1.00 12.36 B H +ATOM 414 HG23 VAL B 136 62.327 19.904 133.307 1.00 12.36 B H +ATOM 415 N ILE B 137 60.282 19.271 137.680 1.00 15.06 B N +ATOM 416 CA ILE B 137 59.499 18.906 138.862 1.00 13.17 B C +ATOM 417 C ILE B 137 59.701 19.891 140.036 1.00 15.99 B C +ATOM 418 O ILE B 137 58.708 20.302 140.636 1.00 16.24 B O +ATOM 419 CB ILE B 137 59.794 17.439 139.302 1.00 14.87 B C +ATOM 420 CG1 ILE B 137 59.285 16.445 138.229 1.00 11.36 B C +ATOM 421 CG2 ILE B 137 59.224 17.053 140.685 1.00 14.89 B C +ATOM 422 CD1 ILE B 137 59.919 15.050 138.305 1.00 11.57 B C +ATOM 423 H ILE B 137 61.054 18.658 137.454 1.00 15.06 B H +ATOM 424 HA ILE B 137 58.445 18.958 138.581 1.00 13.17 B H +ATOM 425 HB ILE B 137 60.878 17.330 139.356 1.00 14.87 B H +ATOM 426 HG13 ILE B 137 59.482 16.835 137.231 1.00 11.36 B H +ATOM 427 HG12 ILE B 137 58.201 16.354 138.294 1.00 11.36 B H +ATOM 428 HG21 ILE B 137 59.389 16.003 140.920 1.00 14.89 B H +ATOM 429 HG22 ILE B 137 59.685 17.620 141.494 1.00 14.89 B H +ATOM 430 HG23 ILE B 137 58.149 17.224 140.715 1.00 14.89 B H +ATOM 431 HD11 ILE B 137 59.578 14.424 137.483 1.00 11.57 B H +ATOM 432 HD12 ILE B 137 61.006 15.104 138.236 1.00 11.57 B H +ATOM 433 HD13 ILE B 137 59.659 14.536 139.228 1.00 11.57 B H +ATOM 434 N ASP B 138 60.960 20.295 140.295 1.00 15.66 B N +ATOM 435 CA ASP B 138 61.350 21.328 141.267 1.00 15.15 B C +ATOM 436 C ASP B 138 60.680 22.680 140.993 1.00 15.48 B C +ATOM 437 O ASP B 138 60.122 23.272 141.915 1.00 20.45 B O +ATOM 438 CB ASP B 138 62.886 21.547 141.348 1.00 12.56 B C +ATOM 439 CG ASP B 138 63.729 20.347 141.804 1.00 10.35 B C +ATOM 440 OD1 ASP B 138 63.203 19.507 142.564 1.00 11.63 B O +ATOM 441 OD2 ASP B 138 64.947 20.360 141.517 1.00 17.25 B O1- +ATOM 442 H ASP B 138 61.722 19.890 139.764 1.00 15.66 B H +ATOM 443 HA ASP B 138 60.990 20.997 142.243 1.00 15.15 B H +ATOM 444 HB3 ASP B 138 63.107 22.371 142.028 1.00 12.56 B H +ATOM 445 HB2 ASP B 138 63.252 21.845 140.363 1.00 12.56 B H +ATOM 446 N ASP B 139 60.741 23.122 139.727 1.00 14.76 B N +ATOM 447 CA ASP B 139 60.176 24.384 139.261 1.00 13.88 B C +ATOM 448 C ASP B 139 58.631 24.373 139.248 1.00 13.68 B C +ATOM 449 O ASP B 139 58.033 25.398 139.567 1.00 18.58 B O +ATOM 450 CB ASP B 139 60.788 24.777 137.899 1.00 16.77 B C +ATOM 451 CG ASP B 139 60.330 26.130 137.339 1.00 19.24 B C +ATOM 452 OD1 ASP B 139 60.617 27.160 137.985 1.00 20.16 B O +ATOM 453 OD2 ASP B 139 59.640 26.112 136.298 1.00 18.28 B O1- +ATOM 454 H ASP B 139 61.230 22.572 139.033 1.00 14.76 B H +ATOM 455 HA ASP B 139 60.482 25.145 139.981 1.00 13.88 B H +ATOM 456 HB3 ASP B 139 60.593 23.978 137.183 1.00 16.77 B H +ATOM 457 HB2 ASP B 139 61.875 24.803 137.989 1.00 16.77 B H +ATOM 458 N ALA B 140 58.011 23.224 138.921 1.00 12.86 B N +ATOM 459 CA ALA B 140 56.555 23.041 138.939 1.00 10.91 B C +ATOM 460 C ALA B 140 55.949 23.147 140.346 1.00 13.69 B C +ATOM 461 O ALA B 140 54.885 23.749 140.488 1.00 14.16 B O +ATOM 462 CB ALA B 140 56.177 21.706 138.279 1.00 9.57 B C +ATOM 463 H ALA B 140 58.561 22.413 138.672 1.00 12.86 B H +ATOM 464 HA ALA B 140 56.117 23.843 138.344 1.00 10.91 B H +ATOM 465 HB1 ALA B 140 55.099 21.537 138.314 1.00 9.57 B H +ATOM 466 HB2 ALA B 140 56.470 21.689 137.229 1.00 9.57 B H +ATOM 467 HB3 ALA B 140 56.659 20.862 138.774 1.00 9.57 B H +ATOM 468 N PHE B 141 56.657 22.610 141.355 1.00 15.83 B N +ATOM 469 CA PHE B 141 56.293 22.735 142.765 1.00 16.29 B C +ATOM 470 C PHE B 141 56.567 24.138 143.330 1.00 16.78 B C +ATOM 471 O PHE B 141 55.740 24.637 144.091 1.00 19.28 B O +ATOM 472 CB PHE B 141 56.996 21.642 143.598 1.00 13.24 B C +ATOM 473 CG PHE B 141 56.603 20.202 143.293 1.00 12.26 B C +ATOM 474 CD1 PHE B 141 55.256 19.837 143.070 1.00 13.72 B C +ATOM 475 CD2 PHE B 141 57.566 19.178 143.402 1.00 9.81 B C +ATOM 476 CE1 PHE B 141 54.910 18.504 142.898 1.00 13.46 B C +ATOM 477 CE2 PHE B 141 57.201 17.849 143.235 1.00 7.35 B C +ATOM 478 CZ PHE B 141 55.878 17.514 142.979 1.00 11.80 B C +ATOM 479 H PHE B 141 57.514 22.111 141.155 1.00 15.83 B H +ATOM 480 HA PHE B 141 55.216 22.593 142.845 1.00 16.29 B H +ATOM 481 HB3 PHE B 141 56.819 21.811 144.662 1.00 13.24 B H +ATOM 482 HB2 PHE B 141 58.074 21.736 143.456 1.00 13.24 B H +ATOM 483 HD1 PHE B 141 54.483 20.584 143.033 1.00 13.72 B H +ATOM 484 HD2 PHE B 141 58.594 19.424 143.609 1.00 9.81 B H +ATOM 485 HE1 PHE B 141 53.881 18.230 142.718 1.00 13.46 B H +ATOM 486 HE2 PHE B 141 57.946 17.072 143.320 1.00 7.35 B H +ATOM 487 HZ PHE B 141 55.594 16.479 142.866 1.00 11.80 B H +ATOM 488 N ALA B 142 57.684 24.769 142.923 1.00 17.38 B N +ATOM 489 CA ALA B 142 58.059 26.128 143.322 1.00 17.57 B C +ATOM 490 C ALA B 142 57.078 27.204 142.823 1.00 18.95 B C +ATOM 491 O ALA B 142 56.751 28.107 143.592 1.00 19.80 B O +ATOM 492 CB ALA B 142 59.488 26.430 142.850 1.00 14.41 B C +ATOM 493 H ALA B 142 58.328 24.294 142.304 1.00 17.38 B H +ATOM 494 HA ALA B 142 58.056 26.159 144.414 1.00 17.57 B H +ATOM 495 HB1 ALA B 142 59.808 27.422 143.171 1.00 14.41 B H +ATOM 496 HB2 ALA B 142 60.197 25.711 143.261 1.00 14.41 B H +ATOM 497 HB3 ALA B 142 59.566 26.393 141.763 1.00 14.41 B H +ATOM 498 N ARG B 143 56.599 27.064 141.574 1.00 19.15 B N +ATOM 499 CA ARG B 143 55.569 27.919 140.979 1.00 17.98 B C +ATOM 500 C ARG B 143 54.170 27.661 141.560 1.00 18.29 B C +ATOM 501 O ARG B 143 53.401 28.614 141.660 1.00 22.02 B O +ATOM 502 CB ARG B 143 55.545 27.747 139.449 1.00 16.03 B C +ATOM 503 CG ARG B 143 56.807 28.287 138.745 1.00 16.18 B C +ATOM 504 CD ARG B 143 56.774 28.199 137.208 1.00 18.32 B C +ATOM 505 NE ARG B 143 56.548 26.829 136.714 1.00 14.27 B N +ATOM 506 CZ ARG B 143 55.413 26.294 136.229 1.00 14.50 B C +ATOM 507 NH1 ARG B 143 54.283 27.005 136.101 1.00 12.39 B N +ATOM 508 NH2 ARG B 143 55.411 25.008 135.860 1.00 14.50 B N1+ +ATOM 509 H ARG B 143 56.941 26.308 140.994 1.00 19.15 B H +ATOM 510 HA ARG B 143 55.823 28.958 141.196 1.00 17.98 B H +ATOM 511 HB3 ARG B 143 54.683 28.274 139.036 1.00 16.03 B H +ATOM 512 HB2 ARG B 143 55.393 26.692 139.215 1.00 16.03 B H +ATOM 513 HG3 ARG B 143 57.742 27.897 139.147 1.00 16.18 B H +ATOM 514 HG2 ARG B 143 56.824 29.350 138.987 1.00 16.18 B H +ATOM 515 HD3 ARG B 143 57.783 28.418 136.859 1.00 18.32 B H +ATOM 516 HD2 ARG B 143 56.141 28.961 136.753 1.00 18.32 B H +ATOM 517 HE ARG B 143 57.367 26.235 136.773 1.00 14.27 B H +ATOM 518 HH12 ARG B 143 53.437 26.568 135.765 1.00 12.39 B H +ATOM 519 HH11 ARG B 143 54.266 27.972 136.390 1.00 12.39 B H +ATOM 520 HH22 ARG B 143 54.572 24.583 135.492 1.00 14.50 B H +ATOM 521 HH21 ARG B 143 56.261 24.460 135.920 1.00 14.50 B H +ATOM 522 N ALA B 144 53.858 26.409 141.942 1.00 17.80 B N +ATOM 523 CA ALA B 144 52.596 26.048 142.596 1.00 17.21 B C +ATOM 524 C ALA B 144 52.478 26.610 144.027 1.00 19.87 B C +ATOM 525 O ALA B 144 51.378 26.990 144.427 1.00 19.56 B O +ATOM 526 CB ALA B 144 52.416 24.525 142.564 1.00 17.90 B C +ATOM 527 H ALA B 144 54.527 25.662 141.815 1.00 17.80 B H +ATOM 528 HA ALA B 144 51.780 26.482 142.015 1.00 17.21 B H +ATOM 529 HB1 ALA B 144 51.543 24.213 143.135 1.00 17.90 B H +ATOM 530 HB2 ALA B 144 52.279 24.170 141.542 1.00 17.90 B H +ATOM 531 HB3 ALA B 144 53.283 24.012 142.975 1.00 17.90 B H +ATOM 532 N PHE B 145 53.616 26.712 144.737 1.00 20.99 B N +ATOM 533 CA PHE B 145 53.755 27.436 146.004 1.00 21.67 B C +ATOM 534 C PHE B 145 53.745 28.968 145.845 1.00 21.95 B C +ATOM 535 O PHE B 145 53.288 29.656 146.759 1.00 25.86 B O +ATOM 536 CB PHE B 145 55.041 26.980 146.729 1.00 18.85 B C +ATOM 537 CG PHE B 145 54.969 25.632 147.428 1.00 16.57 B C +ATOM 538 CD1 PHE B 145 53.958 25.365 148.377 1.00 14.21 B C +ATOM 539 CD2 PHE B 145 55.978 24.669 147.217 1.00 14.86 B C +ATOM 540 CE1 PHE B 145 53.948 24.156 149.060 1.00 18.27 B C +ATOM 541 CE2 PHE B 145 55.938 23.461 147.897 1.00 19.57 B C +ATOM 542 CZ PHE B 145 54.933 23.208 148.820 1.00 20.55 B C +ATOM 543 H PHE B 145 54.471 26.333 144.351 1.00 20.99 B H +ATOM 544 HA PHE B 145 52.892 27.197 146.626 1.00 21.67 B H +ATOM 545 HB3 PHE B 145 55.338 27.713 147.477 1.00 18.85 B H +ATOM 546 HB2 PHE B 145 55.861 26.958 146.010 1.00 18.85 B H +ATOM 547 HD1 PHE B 145 53.195 26.098 148.590 1.00 14.21 B H +ATOM 548 HD2 PHE B 145 56.784 24.861 146.523 1.00 14.86 B H +ATOM 549 HE1 PHE B 145 53.168 23.955 149.779 1.00 18.27 B H +ATOM 550 HE2 PHE B 145 56.699 22.718 147.713 1.00 19.57 B H +ATOM 551 HZ PHE B 145 54.919 22.268 149.351 1.00 20.55 B H +ATOM 552 N ALA B 146 54.228 29.474 144.693 1.00 20.87 B N +ATOM 553 CA ALA B 146 54.258 30.901 144.361 1.00 21.45 B C +ATOM 554 C ALA B 146 52.862 31.528 144.204 1.00 23.06 B C +ATOM 555 O ALA B 146 52.719 32.713 144.499 1.00 25.48 B O +ATOM 556 CB ALA B 146 55.114 31.149 143.111 1.00 17.43 B C +ATOM 557 H ALA B 146 54.601 28.847 143.994 1.00 20.87 B H +ATOM 558 HA ALA B 146 54.761 31.403 145.184 1.00 21.45 B H +ATOM 559 HB1 ALA B 146 55.279 32.217 142.962 1.00 17.43 B H +ATOM 560 HB2 ALA B 146 56.095 30.682 143.200 1.00 17.43 B H +ATOM 561 HB3 ALA B 146 54.639 30.770 142.208 1.00 17.43 B H +ATOM 562 N LEU B 147 51.863 30.721 143.797 1.00 24.74 B N +ATOM 563 CA LEU B 147 50.449 31.101 143.719 1.00 26.04 B C +ATOM 564 C LEU B 147 49.883 31.517 145.087 1.00 28.47 B C +ATOM 565 O LEU B 147 49.287 32.589 145.189 1.00 30.66 B O +ATOM 566 CB LEU B 147 49.609 29.935 143.144 1.00 24.21 B C +ATOM 567 CG LEU B 147 49.940 29.515 141.697 1.00 27.50 B C +ATOM 568 CD1 LEU B 147 49.085 28.303 141.277 1.00 25.16 B C +ATOM 569 CD2 LEU B 147 49.824 30.679 140.694 1.00 23.79 B C +ATOM 570 H LEU B 147 52.074 29.760 143.565 1.00 24.74 B H +ATOM 571 HA LEU B 147 50.372 31.965 143.057 1.00 26.04 B H +ATOM 572 HB3 LEU B 147 48.552 30.201 143.186 1.00 24.21 B H +ATOM 573 HB2 LEU B 147 49.715 29.066 143.796 1.00 24.21 B H +ATOM 574 HG LEU B 147 50.973 29.178 141.682 1.00 27.50 B H +ATOM 575 HD11 LEU B 147 49.711 27.493 140.902 1.00 25.16 B H +ATOM 576 HD12 LEU B 147 48.508 27.904 142.111 1.00 25.16 B H +ATOM 577 HD13 LEU B 147 48.369 28.553 140.496 1.00 25.16 B H +ATOM 578 HD21 LEU B 147 49.472 30.349 139.717 1.00 23.79 B H +ATOM 579 HD22 LEU B 147 49.138 31.451 141.046 1.00 23.79 B H +ATOM 580 HD23 LEU B 147 50.796 31.147 140.537 1.00 23.79 B H +ATOM 581 N TRP B 148 50.096 30.668 146.107 1.00 28.49 B N +ATOM 582 CA TRP B 148 49.593 30.878 147.464 1.00 29.54 B C +ATOM 583 C TRP B 148 50.326 31.997 148.217 1.00 28.97 B C +ATOM 584 O TRP B 148 49.656 32.807 148.854 1.00 29.64 B O +ATOM 585 CB TRP B 148 49.592 29.550 148.245 1.00 26.39 B C +ATOM 586 CG TRP B 148 48.762 28.458 147.632 1.00 24.57 B C +ATOM 587 CD1 TRP B 148 49.230 27.299 147.114 1.00 22.40 B C +ATOM 588 CD2 TRP B 148 47.315 28.436 147.418 1.00 25.64 B C +ATOM 589 NE1 TRP B 148 48.178 26.558 146.615 1.00 22.24 B N +ATOM 590 CE2 TRP B 148 46.973 27.211 146.769 1.00 24.80 B C +ATOM 591 CE3 TRP B 148 46.254 29.331 147.696 1.00 25.42 B C +ATOM 592 CZ2 TRP B 148 45.648 26.887 146.423 1.00 27.07 B C +ATOM 593 CZ3 TRP B 148 44.924 29.024 147.342 1.00 26.11 B C +ATOM 594 CH2 TRP B 148 44.621 27.803 146.708 1.00 24.97 B C +ATOM 595 H TRP B 148 50.604 29.811 145.945 1.00 28.49 B H +ATOM 596 HA TRP B 148 48.552 31.197 147.375 1.00 29.54 B H +ATOM 597 HB3 TRP B 148 49.216 29.719 149.255 1.00 26.39 B H +ATOM 598 HB2 TRP B 148 50.614 29.184 148.360 1.00 26.39 B H +ATOM 599 HD1 TRP B 148 50.271 27.008 147.102 1.00 22.40 B H +ATOM 600 HE1 TRP B 148 48.293 25.651 146.183 1.00 22.24 B H +ATOM 601 HE3 TRP B 148 46.469 30.269 148.184 1.00 25.42 B H +ATOM 602 HZ2 TRP B 148 45.418 25.948 145.942 1.00 27.07 B H +ATOM 603 HZ3 TRP B 148 44.133 29.725 147.563 1.00 26.11 B H +ATOM 604 HH2 TRP B 148 43.601 27.562 146.447 1.00 24.97 B H +ATOM 605 N SER B 149 51.665 32.061 148.096 1.00 30.94 B N +ATOM 606 CA SER B 149 52.506 33.101 148.707 1.00 33.11 B C +ATOM 607 C SER B 149 52.269 34.525 148.162 1.00 35.39 B C +ATOM 608 O SER B 149 52.552 35.485 148.878 1.00 38.15 B O +ATOM 609 CB SER B 149 53.988 32.690 148.612 1.00 31.16 B C +ATOM 610 OG SER B 149 54.492 32.786 147.297 1.00 34.33 B O +ATOM 611 H SER B 149 52.146 31.355 147.554 1.00 30.94 B H +ATOM 612 HA SER B 149 52.250 33.123 149.768 1.00 33.11 B H +ATOM 613 HB3 SER B 149 54.133 31.681 148.988 1.00 31.16 B H +ATOM 614 HB2 SER B 149 54.597 33.342 149.238 1.00 31.16 B H +ATOM 615 HG SER B 149 53.975 32.207 146.730 1.00 34.33 B H +ATOM 616 N ALA B 150 51.740 34.643 146.930 1.00 35.46 B N +ATOM 617 CA ALA B 150 51.377 35.915 146.303 1.00 35.64 B C +ATOM 618 C ALA B 150 50.137 36.584 146.927 1.00 36.30 B C +ATOM 619 O ALA B 150 50.029 37.807 146.849 1.00 35.93 B O +ATOM 620 CB ALA B 150 51.164 35.694 144.799 1.00 35.78 B C +ATOM 621 H ALA B 150 51.550 33.812 146.387 1.00 35.46 B H +ATOM 622 HA ALA B 150 52.217 36.602 146.423 1.00 35.64 B H +ATOM 623 HB1 ALA B 150 50.887 36.621 144.296 1.00 35.78 B H +ATOM 624 HB2 ALA B 150 52.076 35.330 144.323 1.00 35.78 B H +ATOM 625 HB3 ALA B 150 50.375 34.966 144.606 1.00 35.78 B H +ATOM 626 N VAL B 151 49.247 35.785 147.540 1.00 36.26 B N +ATOM 627 CA VAL B 151 47.974 36.226 148.118 1.00 37.29 B C +ATOM 628 C VAL B 151 47.892 35.988 149.646 1.00 37.54 B C +ATOM 629 O VAL B 151 46.802 36.069 150.208 1.00 38.76 B O +ATOM 630 CB VAL B 151 46.771 35.542 147.400 1.00 37.45 B C +ATOM 631 CG1 VAL B 151 46.680 35.970 145.925 1.00 39.35 B C +ATOM 632 CG2 VAL B 151 46.744 34.006 147.518 1.00 37.42 B C +ATOM 633 H VAL B 151 49.415 34.788 147.564 1.00 36.26 B H +ATOM 634 HA VAL B 151 47.862 37.304 147.991 1.00 37.29 B H +ATOM 635 HB VAL B 151 45.852 35.905 147.861 1.00 37.45 B H +ATOM 636 HG11 VAL B 151 45.788 35.562 145.451 1.00 39.35 B H +ATOM 637 HG12 VAL B 151 46.630 37.056 145.833 1.00 39.35 B H +ATOM 638 HG13 VAL B 151 47.541 35.625 145.352 1.00 39.35 B H +ATOM 639 HG21 VAL B 151 45.858 33.592 147.035 1.00 37.42 B H +ATOM 640 HG22 VAL B 151 47.613 33.554 147.043 1.00 37.42 B H +ATOM 641 HG23 VAL B 151 46.727 33.678 148.554 1.00 37.42 B H +ATOM 642 N THR B 152 49.031 35.730 150.310 1.00 36.72 B N +ATOM 643 CA THR B 152 49.119 35.523 151.763 1.00 34.50 B C +ATOM 644 C THR B 152 50.466 36.062 152.304 1.00 34.43 B C +ATOM 645 O THR B 152 51.385 36.299 151.515 1.00 33.86 B O +ATOM 646 CB THR B 152 49.047 34.010 152.122 1.00 32.69 B C +ATOM 647 OG1 THR B 152 50.130 33.301 151.562 1.00 34.10 B O +ATOM 648 CG2 THR B 152 47.750 33.311 151.717 1.00 33.09 B C +ATOM 649 H THR B 152 49.900 35.665 149.802 1.00 36.72 B H +ATOM 650 HA THR B 152 48.308 36.061 152.256 1.00 34.50 B H +ATOM 651 HB THR B 152 49.139 33.871 153.196 1.00 32.69 B H +ATOM 652 HG1 THR B 152 49.949 33.163 150.625 1.00 34.10 B H +ATOM 653 HG21 THR B 152 47.785 32.275 152.045 1.00 33.09 B H +ATOM 654 HG22 THR B 152 46.882 33.782 152.179 1.00 33.09 B H +ATOM 655 HG23 THR B 152 47.600 33.302 150.639 1.00 33.09 B H +ATOM 656 N PRO B 153 50.595 36.180 153.649 1.00 35.88 B N +ATOM 657 CA PRO B 153 51.905 36.365 154.305 1.00 35.29 B C +ATOM 658 C PRO B 153 52.808 35.109 154.350 1.00 33.55 B C +ATOM 659 O PRO B 153 53.941 35.231 154.815 1.00 33.85 B O +ATOM 660 CB PRO B 153 51.528 36.839 155.718 1.00 33.79 B C +ATOM 661 CG PRO B 153 50.186 36.181 155.988 1.00 36.98 B C +ATOM 662 CD PRO B 153 49.503 36.249 154.628 1.00 36.97 B C +ATOM 663 HA PRO B 153 52.472 37.153 153.806 1.00 35.29 B H +ATOM 664 HB3 PRO B 153 51.409 37.924 155.716 1.00 33.79 B H +ATOM 665 HB2 PRO B 153 52.269 36.599 156.482 1.00 33.79 B H +ATOM 666 HG3 PRO B 153 49.618 36.662 156.784 1.00 36.98 B H +ATOM 667 HG2 PRO B 153 50.340 35.138 156.271 1.00 36.98 B H +ATOM 668 HD2 PRO B 153 48.745 35.473 154.541 1.00 36.97 B H +ATOM 669 HD3 PRO B 153 48.999 37.209 154.512 1.00 36.97 B H +ATOM 670 N LEU B 154 52.321 33.945 153.875 1.00 32.24 B N +ATOM 671 CA LEU B 154 53.061 32.678 153.841 1.00 29.72 B C +ATOM 672 C LEU B 154 54.258 32.738 152.879 1.00 28.80 B C +ATOM 673 O LEU B 154 54.152 33.338 151.809 1.00 29.79 B O +ATOM 674 CB LEU B 154 52.136 31.513 153.414 1.00 28.34 B C +ATOM 675 CG LEU B 154 50.879 31.308 154.290 1.00 29.72 B C +ATOM 676 CD1 LEU B 154 49.885 30.337 153.620 1.00 25.73 B C +ATOM 677 CD2 LEU B 154 51.251 30.870 155.716 1.00 27.68 B C +ATOM 678 H LEU B 154 51.389 33.913 153.487 1.00 32.24 B H +ATOM 679 HA LEU B 154 53.427 32.489 154.850 1.00 29.72 B H +ATOM 680 HB3 LEU B 154 52.708 30.583 153.405 1.00 28.34 B H +ATOM 681 HB2 LEU B 154 51.840 31.662 152.377 1.00 28.34 B H +ATOM 682 HG LEU B 154 50.357 32.260 154.374 1.00 29.72 B H +ATOM 683 HD11 LEU B 154 48.932 30.829 153.435 1.00 25.73 B H +ATOM 684 HD12 LEU B 154 50.252 29.977 152.659 1.00 25.73 B H +ATOM 685 HD13 LEU B 154 49.672 29.461 154.230 1.00 25.73 B H +ATOM 686 HD21 LEU B 154 50.628 30.060 156.093 1.00 27.68 B H +ATOM 687 HD22 LEU B 154 52.282 30.524 155.767 1.00 27.68 B H +ATOM 688 HD23 LEU B 154 51.142 31.705 156.407 1.00 27.68 B H +ATOM 689 N THR B 155 55.352 32.075 153.274 1.00 26.47 B N +ATOM 690 CA THR B 155 56.538 31.839 152.452 1.00 26.48 B C +ATOM 691 C THR B 155 56.861 30.334 152.486 1.00 27.63 B C +ATOM 692 O THR B 155 56.542 29.662 153.468 1.00 28.65 B O +ATOM 693 CB THR B 155 57.771 32.633 152.970 1.00 25.05 B C +ATOM 694 OG1 THR B 155 58.262 32.169 154.214 1.00 26.56 B O +ATOM 695 CG2 THR B 155 57.531 34.147 153.067 1.00 26.91 B C +ATOM 696 H THR B 155 55.355 31.612 154.174 1.00 26.47 B H +ATOM 697 HA THR B 155 56.340 32.118 151.415 1.00 26.48 B H +ATOM 698 HB THR B 155 58.583 32.486 152.256 1.00 25.05 B H +ATOM 699 HG1 THR B 155 58.499 31.242 154.125 1.00 26.56 B H +ATOM 700 HG21 THR B 155 58.441 34.669 153.365 1.00 26.91 B H +ATOM 701 HG22 THR B 155 57.221 34.551 152.104 1.00 26.91 B H +ATOM 702 HG23 THR B 155 56.759 34.388 153.798 1.00 26.91 B H +ATOM 703 N PHE B 156 57.480 29.840 151.402 1.00 26.34 B N +ATOM 704 CA PHE B 156 57.780 28.423 151.200 1.00 24.22 B C +ATOM 705 C PHE B 156 59.276 28.259 150.909 1.00 23.36 B C +ATOM 706 O PHE B 156 59.741 28.680 149.850 1.00 25.84 B O +ATOM 707 CB PHE B 156 56.899 27.853 150.070 1.00 21.10 B C +ATOM 708 CG PHE B 156 55.410 27.922 150.363 1.00 21.18 B C +ATOM 709 CD1 PHE B 156 54.817 27.021 151.273 1.00 19.72 B C +ATOM 710 CD2 PHE B 156 54.641 28.990 149.857 1.00 18.40 B C +ATOM 711 CE1 PHE B 156 53.475 27.159 151.609 1.00 18.13 B C +ATOM 712 CE2 PHE B 156 53.303 29.111 150.204 1.00 15.81 B C +ATOM 713 CZ PHE B 156 52.723 28.197 151.071 1.00 17.61 B C +ATOM 714 H PHE B 156 57.735 30.461 150.644 1.00 26.34 B H +ATOM 715 HA PHE B 156 57.545 27.849 152.094 1.00 24.22 B H +ATOM 716 HB3 PHE B 156 57.155 26.807 149.903 1.00 21.10 B H +ATOM 717 HB2 PHE B 156 57.101 28.367 149.129 1.00 21.10 B H +ATOM 718 HD1 PHE B 156 55.401 26.224 151.709 1.00 19.72 B H +ATOM 719 HD2 PHE B 156 55.096 29.707 149.192 1.00 18.40 B H +ATOM 720 HE1 PHE B 156 53.016 26.462 152.294 1.00 18.13 B H +ATOM 721 HE2 PHE B 156 52.710 29.920 149.803 1.00 15.81 B H +ATOM 722 HZ PHE B 156 51.683 28.302 151.335 1.00 17.61 B H +ATOM 723 N THR B 157 59.991 27.652 151.869 1.00 24.03 B N +ATOM 724 CA THR B 157 61.433 27.407 151.819 1.00 22.52 B C +ATOM 725 C THR B 157 61.691 25.909 151.590 1.00 21.11 B C +ATOM 726 O THR B 157 61.109 25.080 152.286 1.00 21.31 B O +ATOM 727 CB THR B 157 62.086 27.804 153.171 1.00 21.34 B C +ATOM 728 OG1 THR B 157 61.960 29.202 153.337 1.00 25.73 B O +ATOM 729 CG2 THR B 157 63.577 27.446 153.334 1.00 20.97 B C +ATOM 730 H THR B 157 59.520 27.336 152.707 1.00 24.03 B H +ATOM 731 HA THR B 157 61.898 27.981 151.014 1.00 22.52 B H +ATOM 732 HB THR B 157 61.532 27.342 153.989 1.00 21.34 B H +ATOM 733 HG1 THR B 157 61.025 29.420 153.359 1.00 25.73 B H +ATOM 734 HG21 THR B 157 63.982 27.871 154.252 1.00 20.97 B H +ATOM 735 HG22 THR B 157 63.735 26.368 153.391 1.00 20.97 B H +ATOM 736 HG23 THR B 157 64.169 27.828 152.502 1.00 20.97 B H +ATOM 737 N ARG B 158 62.579 25.580 150.640 1.00 21.15 B N +ATOM 738 CA ARG B 158 62.971 24.196 150.384 1.00 21.88 B C +ATOM 739 C ARG B 158 64.050 23.736 151.380 1.00 22.35 B C +ATOM 740 O ARG B 158 65.061 24.420 151.539 1.00 23.68 B O +ATOM 741 CB ARG B 158 63.435 24.050 148.925 1.00 23.11 B C +ATOM 742 CG ARG B 158 63.667 22.587 148.512 1.00 20.37 B C +ATOM 743 CD ARG B 158 64.025 22.456 147.030 1.00 21.66 B C +ATOM 744 NE ARG B 158 64.397 21.074 146.688 1.00 18.52 B N +ATOM 745 CZ ARG B 158 65.018 20.659 145.570 1.00 17.45 B C +ATOM 746 NH1 ARG B 158 65.418 21.513 144.615 1.00 16.66 B N +ATOM 747 NH2 ARG B 158 65.237 19.351 145.404 1.00 15.63 B N1+ +ATOM 748 H ARG B 158 63.047 26.295 150.102 1.00 21.15 B H +ATOM 749 HA ARG B 158 62.087 23.566 150.497 1.00 21.88 B H +ATOM 750 HB3 ARG B 158 64.349 24.625 148.766 1.00 23.11 B H +ATOM 751 HB2 ARG B 158 62.687 24.486 148.264 1.00 23.11 B H +ATOM 752 HG3 ARG B 158 62.718 22.073 148.676 1.00 20.37 B H +ATOM 753 HG2 ARG B 158 64.398 22.076 149.142 1.00 20.37 B H +ATOM 754 HD3 ARG B 158 64.766 23.197 146.728 1.00 21.66 B H +ATOM 755 HD2 ARG B 158 63.127 22.649 146.442 1.00 21.66 B H +ATOM 756 HE ARG B 158 64.136 20.376 147.369 1.00 18.52 B H +ATOM 757 HH12 ARG B 158 65.802 21.167 143.746 1.00 16.66 B H +ATOM 758 HH11 ARG B 158 65.266 22.504 144.728 1.00 16.66 B H +ATOM 759 HH22 ARG B 158 65.662 19.011 144.553 1.00 15.63 B H +ATOM 760 HH21 ARG B 158 64.931 18.684 146.098 1.00 15.63 B H +ATOM 761 N VAL B 159 63.817 22.567 151.993 1.00 21.22 B N +ATOM 762 CA VAL B 159 64.758 21.860 152.862 1.00 21.38 B C +ATOM 763 C VAL B 159 64.875 20.391 152.401 1.00 23.15 B C +ATOM 764 O VAL B 159 64.099 19.945 151.554 1.00 23.36 B O +ATOM 765 CB VAL B 159 64.323 21.916 154.359 1.00 21.61 B C +ATOM 766 CG1 VAL B 159 64.198 23.364 154.867 1.00 19.88 B C +ATOM 767 CG2 VAL B 159 63.061 21.109 154.715 1.00 20.58 B C +ATOM 768 H VAL B 159 62.952 22.074 151.806 1.00 21.22 B H +ATOM 769 HA VAL B 159 65.753 22.299 152.769 1.00 21.38 B H +ATOM 770 HB VAL B 159 65.135 21.477 154.941 1.00 21.61 B H +ATOM 771 HG11 VAL B 159 64.014 23.390 155.942 1.00 19.88 B H +ATOM 772 HG12 VAL B 159 65.110 23.929 154.676 1.00 19.88 B H +ATOM 773 HG13 VAL B 159 63.373 23.890 154.384 1.00 19.88 B H +ATOM 774 HG21 VAL B 159 62.810 21.220 155.771 1.00 20.58 B H +ATOM 775 HG22 VAL B 159 62.200 21.445 154.140 1.00 20.58 B H +ATOM 776 HG23 VAL B 159 63.198 20.043 154.538 1.00 20.58 B H +ATOM 777 N TYR B 160 65.879 19.681 152.941 1.00 24.51 B N +ATOM 778 CA TYR B 160 66.277 18.334 152.516 1.00 25.70 B C +ATOM 779 C TYR B 160 66.161 17.300 153.651 1.00 27.77 B C +ATOM 780 O TYR B 160 66.874 16.296 153.627 1.00 28.36 B O +ATOM 781 CB TYR B 160 67.695 18.400 151.905 1.00 23.43 B C +ATOM 782 CG TYR B 160 67.777 19.235 150.640 1.00 23.94 B C +ATOM 783 CD1 TYR B 160 68.057 20.617 150.712 1.00 22.81 B C +ATOM 784 CD2 TYR B 160 67.549 18.634 149.384 1.00 24.09 B C +ATOM 785 CE1 TYR B 160 68.096 21.394 149.539 1.00 24.82 B C +ATOM 786 CE2 TYR B 160 67.603 19.409 148.210 1.00 24.05 B C +ATOM 787 CZ TYR B 160 67.871 20.790 148.287 1.00 25.74 B C +ATOM 788 OH TYR B 160 67.915 21.539 147.148 1.00 32.12 B O +ATOM 789 H TYR B 160 66.468 20.112 153.639 1.00 24.51 B H +ATOM 790 HA TYR B 160 65.613 17.977 151.731 1.00 25.70 B H +ATOM 791 HB3 TYR B 160 68.047 17.399 151.651 1.00 23.43 B H +ATOM 792 HB2 TYR B 160 68.404 18.787 152.639 1.00 23.43 B H +ATOM 793 HD1 TYR B 160 68.227 21.087 151.670 1.00 22.81 B H +ATOM 794 HD2 TYR B 160 67.331 17.578 149.318 1.00 24.09 B H +ATOM 795 HE1 TYR B 160 68.302 22.452 149.605 1.00 24.82 B H +ATOM 796 HE2 TYR B 160 67.438 18.942 147.252 1.00 24.05 B H +ATOM 797 HH TYR B 160 68.135 22.459 147.311 1.00 32.12 B H +ATOM 798 N SER B 161 65.260 17.549 154.614 1.00 29.96 B N +ATOM 799 CA SER B 161 65.039 16.708 155.790 1.00 32.14 B C +ATOM 800 C SER B 161 63.543 16.441 156.014 1.00 33.22 B C +ATOM 801 O SER B 161 62.690 17.162 155.493 1.00 29.83 B O +ATOM 802 CB SER B 161 65.712 17.375 157.012 1.00 32.84 B C +ATOM 803 OG SER B 161 65.059 18.568 157.401 1.00 34.79 B O +ATOM 804 H SER B 161 64.689 18.380 154.562 1.00 29.96 B H +ATOM 805 HA SER B 161 65.509 15.734 155.637 1.00 32.14 B H +ATOM 806 HB3 SER B 161 66.760 17.595 156.803 1.00 32.84 B H +ATOM 807 HB2 SER B 161 65.703 16.695 157.864 1.00 32.84 B H +ATOM 808 HG SER B 161 65.390 18.830 158.267 1.00 34.79 B H +ATOM 809 N ARG B 162 63.269 15.411 156.833 1.00 37.03 B N +ATOM 810 CA ARG B 162 61.935 15.013 157.299 1.00 40.29 B C +ATOM 811 C ARG B 162 61.278 16.042 158.247 1.00 38.61 B C +ATOM 812 O ARG B 162 60.063 15.995 158.437 1.00 39.20 B O +ATOM 813 CB ARG B 162 62.057 13.609 157.930 1.00 46.56 B C +ATOM 814 CG ARG B 162 60.726 12.864 158.129 1.00 57.91 B C +ATOM 815 CD ARG B 162 60.933 11.470 158.743 1.00 64.70 B C +ATOM 816 NE ARG B 162 59.706 10.656 158.701 1.00 70.47 B N +ATOM 817 CZ ARG B 162 59.504 9.460 159.288 1.00 73.51 B C +ATOM 818 NH1 ARG B 162 58.329 8.843 159.110 1.00 74.22 B N +ATOM 819 NH2 ARG B 162 60.440 8.865 160.044 1.00 74.50 B N1+ +ATOM 820 H ARG B 162 64.036 14.876 157.214 1.00 37.03 B H +ATOM 821 HA ARG B 162 61.298 14.936 156.417 1.00 40.29 B H +ATOM 822 HB3 ARG B 162 62.591 13.676 158.880 1.00 46.56 B H +ATOM 823 HB2 ARG B 162 62.680 12.991 157.280 1.00 46.56 B H +ATOM 824 HG3 ARG B 162 60.134 12.824 157.212 1.00 57.91 B H +ATOM 825 HG2 ARG B 162 60.141 13.444 158.843 1.00 57.91 B H +ATOM 826 HD3 ARG B 162 61.134 11.612 159.806 1.00 64.70 B H +ATOM 827 HD2 ARG B 162 61.800 10.954 158.328 1.00 64.70 B H +ATOM 828 HE ARG B 162 58.953 11.047 158.153 1.00 70.47 B H +ATOM 829 HH12 ARG B 162 58.152 7.946 159.538 1.00 74.22 B H +ATOM 830 HH11 ARG B 162 57.611 9.265 158.539 1.00 74.22 B H +ATOM 831 HH22 ARG B 162 60.264 7.970 160.476 1.00 74.50 B H +ATOM 832 HH21 ARG B 162 61.331 9.318 160.189 1.00 74.50 B H +ATOM 833 N ASP B 163 62.087 16.986 158.764 1.00 37.90 B N +ATOM 834 CA ASP B 163 61.702 18.170 159.544 1.00 36.97 B C +ATOM 835 C ASP B 163 60.803 19.157 158.766 1.00 33.52 B C +ATOM 836 O ASP B 163 60.181 20.011 159.398 1.00 33.69 B O +ATOM 837 CB ASP B 163 62.931 18.943 160.100 1.00 42.42 B C +ATOM 838 CG ASP B 163 64.056 18.102 160.733 1.00 46.87 B C +ATOM 839 OD1 ASP B 163 63.755 17.045 161.332 1.00 49.44 B O +ATOM 840 OD2 ASP B 163 65.205 18.596 160.706 1.00 50.63 B O1- +ATOM 841 H ASP B 163 63.074 16.927 158.557 1.00 37.90 B H +ATOM 842 HA ASP B 163 61.116 17.812 160.393 1.00 36.97 B H +ATOM 843 HB3 ASP B 163 62.596 19.639 160.871 1.00 42.42 B H +ATOM 844 HB2 ASP B 163 63.366 19.549 159.303 1.00 42.42 B H +ATOM 845 N ALA B 164 60.742 19.012 157.428 1.00 29.73 B N +ATOM 846 CA ALA B 164 59.833 19.708 156.520 1.00 25.02 B C +ATOM 847 C ALA B 164 58.359 19.553 156.914 1.00 22.73 B C +ATOM 848 O ALA B 164 57.933 18.436 157.205 1.00 18.59 B O +ATOM 849 CB ALA B 164 60.023 19.142 155.110 1.00 24.48 B C +ATOM 850 H ALA B 164 61.311 18.295 157.000 1.00 29.73 B H +ATOM 851 HA ALA B 164 60.110 20.758 156.513 1.00 25.02 B H +ATOM 852 HB1 ALA B 164 59.289 19.545 154.414 1.00 24.48 B H +ATOM 853 HB2 ALA B 164 61.007 19.387 154.725 1.00 24.48 B H +ATOM 854 HB3 ALA B 164 59.930 18.057 155.099 1.00 24.48 B H +ATOM 855 N ASP B 165 57.607 20.662 156.875 1.00 20.01 B N +ATOM 856 CA ASP B 165 56.163 20.686 157.128 1.00 19.49 B C +ATOM 857 C ASP B 165 55.370 19.929 156.053 1.00 20.86 B C +ATOM 858 O ASP B 165 54.541 19.091 156.406 1.00 19.12 B O +ATOM 859 CB ASP B 165 55.596 22.112 157.308 1.00 17.17 B C +ATOM 860 CG ASP B 165 56.303 22.929 158.396 1.00 15.31 B C +ATOM 861 OD1 ASP B 165 56.245 22.499 159.569 1.00 16.45 B O +ATOM 862 OD2 ASP B 165 56.911 23.960 158.039 1.00 14.81 B O1- +ATOM 863 H ASP B 165 58.035 21.547 156.635 1.00 20.01 B H +ATOM 864 HA ASP B 165 56.004 20.154 158.068 1.00 19.49 B H +ATOM 865 HB3 ASP B 165 54.542 22.065 157.571 1.00 17.17 B H +ATOM 866 HB2 ASP B 165 55.651 22.652 156.363 1.00 17.17 B H +ATOM 867 N ILE B 166 55.665 20.220 154.775 1.00 20.30 B N +ATOM 868 CA ILE B 166 54.990 19.651 153.612 1.00 17.16 B C +ATOM 869 C ILE B 166 55.980 18.718 152.887 1.00 15.84 B C +ATOM 870 O ILE B 166 56.725 19.164 152.013 1.00 16.45 B O +ATOM 871 CB ILE B 166 54.483 20.779 152.651 1.00 19.96 B C +ATOM 872 CG1 ILE B 166 53.516 21.745 153.388 1.00 20.77 B C +ATOM 873 CG2 ILE B 166 53.833 20.234 151.353 1.00 16.75 B C +ATOM 874 CD1 ILE B 166 53.089 22.976 152.576 1.00 16.61 B C +ATOM 875 H ILE B 166 56.371 20.919 154.582 1.00 20.30 B H +ATOM 876 HA ILE B 166 54.131 19.052 153.918 1.00 17.16 B H +ATOM 877 HB ILE B 166 55.344 21.378 152.352 1.00 19.96 B H +ATOM 878 HG13 ILE B 166 53.974 22.112 154.306 1.00 20.77 B H +ATOM 879 HG12 ILE B 166 52.626 21.207 153.707 1.00 20.77 B H +ATOM 880 HG21 ILE B 166 53.468 21.035 150.713 1.00 16.75 B H +ATOM 881 HG22 ILE B 166 54.529 19.662 150.743 1.00 16.75 B H +ATOM 882 HG23 ILE B 166 52.986 19.585 151.569 1.00 16.75 B H +ATOM 883 HD11 ILE B 166 52.611 23.713 153.221 1.00 16.61 B H +ATOM 884 HD12 ILE B 166 53.945 23.456 152.101 1.00 16.61 B H +ATOM 885 HD13 ILE B 166 52.366 22.717 151.803 1.00 16.61 B H +ATOM 886 N VAL B 167 55.993 17.431 153.277 1.00 13.42 B N +ATOM 887 CA VAL B 167 56.805 16.411 152.608 1.00 13.63 B C +ATOM 888 C VAL B 167 56.058 15.925 151.354 1.00 14.94 B C +ATOM 889 O VAL B 167 54.924 15.453 151.448 1.00 15.76 B O +ATOM 890 CB VAL B 167 57.132 15.191 153.514 1.00 13.46 B C +ATOM 891 CG1 VAL B 167 57.955 14.096 152.802 1.00 11.25 B C +ATOM 892 CG2 VAL B 167 57.853 15.630 154.800 1.00 12.79 B C +ATOM 893 H VAL B 167 55.366 17.104 154.000 1.00 13.42 B H +ATOM 894 HA VAL B 167 57.758 16.855 152.311 1.00 13.63 B H +ATOM 895 HB VAL B 167 56.201 14.721 153.819 1.00 13.46 B H +ATOM 896 HG11 VAL B 167 58.260 13.318 153.502 1.00 11.25 B H +ATOM 897 HG12 VAL B 167 57.388 13.601 152.013 1.00 11.25 B H +ATOM 898 HG13 VAL B 167 58.858 14.510 152.352 1.00 11.25 B H +ATOM 899 HG21 VAL B 167 58.092 14.777 155.436 1.00 12.79 B H +ATOM 900 HG22 VAL B 167 58.784 16.146 154.571 1.00 12.79 B H +ATOM 901 HG23 VAL B 167 57.238 16.310 155.389 1.00 12.79 B H +ATOM 902 N ILE B 168 56.718 16.080 150.203 1.00 13.79 B N +ATOM 903 CA ILE B 168 56.208 15.737 148.884 1.00 12.71 B C +ATOM 904 C ILE B 168 56.852 14.420 148.432 1.00 13.67 B C +ATOM 905 O ILE B 168 58.067 14.276 148.561 1.00 11.91 B O +ATOM 906 CB ILE B 168 56.567 16.857 147.864 1.00 14.97 B C +ATOM 907 CG1 ILE B 168 55.818 18.169 148.192 1.00 13.19 B C +ATOM 908 CG2 ILE B 168 56.349 16.476 146.385 1.00 13.61 B C +ATOM 909 CD1 ILE B 168 56.501 19.425 147.633 1.00 14.12 B C +ATOM 910 H ILE B 168 57.655 16.467 150.219 1.00 13.79 B H +ATOM 911 HA ILE B 168 55.127 15.626 148.919 1.00 12.71 B H +ATOM 912 HB ILE B 168 57.629 17.071 147.978 1.00 14.97 B H +ATOM 913 HG13 ILE B 168 55.736 18.300 149.270 1.00 13.19 B H +ATOM 914 HG12 ILE B 168 54.793 18.103 147.827 1.00 13.19 B H +ATOM 915 HG21 ILE B 168 56.485 17.342 145.744 1.00 13.61 B H +ATOM 916 HG22 ILE B 168 57.056 15.720 146.042 1.00 13.61 B H +ATOM 917 HG23 ILE B 168 55.344 16.094 146.218 1.00 13.61 B H +ATOM 918 HD11 ILE B 168 56.059 20.325 148.060 1.00 14.12 B H +ATOM 919 HD12 ILE B 168 57.565 19.438 147.872 1.00 14.12 B H +ATOM 920 HD13 ILE B 168 56.402 19.492 146.550 1.00 14.12 B H +ATOM 921 N GLN B 169 56.038 13.511 147.872 1.00 14.64 B N +ATOM 922 CA GLN B 169 56.525 12.263 147.287 1.00 17.38 B C +ATOM 923 C GLN B 169 55.625 11.776 146.145 1.00 16.18 B C +ATOM 924 O GLN B 169 54.442 12.107 146.085 1.00 14.81 B O +ATOM 925 CB GLN B 169 56.726 11.174 148.373 1.00 20.52 B C +ATOM 926 CG GLN B 169 55.443 10.736 149.112 1.00 28.99 B C +ATOM 927 CD GLN B 169 55.611 9.421 149.874 1.00 34.11 B C +ATOM 928 OE1 GLN B 169 55.587 9.401 151.102 1.00 34.45 B O +ATOM 929 NE2 GLN B 169 55.760 8.309 149.150 1.00 36.00 B N +ATOM 930 H GLN B 169 55.049 13.696 147.779 1.00 14.64 B H +ATOM 931 HA GLN B 169 57.495 12.475 146.835 1.00 17.38 B H +ATOM 932 HB3 GLN B 169 57.461 11.511 149.104 1.00 20.52 B H +ATOM 933 HB2 GLN B 169 57.181 10.305 147.896 1.00 20.52 B H +ATOM 934 HG3 GLN B 169 54.607 10.608 148.425 1.00 28.99 B H +ATOM 935 HG2 GLN B 169 55.156 11.521 149.811 1.00 28.99 B H +ATOM 936 HE22 GLN B 169 55.878 7.418 149.609 1.00 36.00 B H +ATOM 937 HE21 GLN B 169 55.784 8.354 148.141 1.00 36.00 B H +ATOM 938 N PHE B 170 56.227 10.938 145.293 1.00 14.40 B N +ATOM 939 CA PHE B 170 55.575 10.137 144.266 1.00 13.46 B C +ATOM 940 C PHE B 170 55.511 8.683 144.755 1.00 14.78 B C +ATOM 941 O PHE B 170 56.483 8.196 145.338 1.00 16.19 B O +ATOM 942 CB PHE B 170 56.375 10.254 142.954 1.00 9.79 B C +ATOM 943 CG PHE B 170 56.311 11.628 142.312 1.00 11.55 B C +ATOM 944 CD1 PHE B 170 57.215 12.635 142.709 1.00 12.24 B C +ATOM 945 CD2 PHE B 170 55.247 11.964 141.448 1.00 12.04 B C +ATOM 946 CE1 PHE B 170 57.109 13.913 142.181 1.00 12.05 B C +ATOM 947 CE2 PHE B 170 55.149 13.253 140.941 1.00 11.98 B C +ATOM 948 CZ PHE B 170 56.087 14.216 141.291 1.00 13.47 B C +ATOM 949 H PHE B 170 57.210 10.736 145.433 1.00 14.40 B H +ATOM 950 HA PHE B 170 54.563 10.502 144.091 1.00 13.46 B H +ATOM 951 HB3 PHE B 170 56.010 9.528 142.229 1.00 9.79 B H +ATOM 952 HB2 PHE B 170 57.422 9.996 143.126 1.00 9.79 B H +ATOM 953 HD1 PHE B 170 57.999 12.408 143.416 1.00 12.24 B H +ATOM 954 HD2 PHE B 170 54.511 11.221 141.175 1.00 12.04 B H +ATOM 955 HE1 PHE B 170 57.820 14.674 142.469 1.00 12.05 B H +ATOM 956 HE2 PHE B 170 54.343 13.505 140.266 1.00 11.98 B H +ATOM 957 HZ PHE B 170 56.016 15.213 140.884 1.00 13.47 B H +ATOM 958 N GLY B 171 54.370 8.021 144.519 1.00 16.63 B N +ATOM 959 CA GLY B 171 54.152 6.637 144.927 1.00 18.19 B C +ATOM 960 C GLY B 171 53.171 5.971 143.961 1.00 20.06 B C +ATOM 961 O GLY B 171 52.441 6.643 143.235 1.00 21.45 B O +ATOM 962 H GLY B 171 53.609 8.481 144.036 1.00 16.63 B H +ATOM 963 HA3 GLY B 171 53.740 6.615 145.936 1.00 18.19 B H +ATOM 964 HA2 GLY B 171 55.086 6.070 144.935 1.00 18.19 B H +ATOM 965 N VAL B 172 53.152 4.631 143.985 1.00 21.07 B N +ATOM 966 CA VAL B 172 52.242 3.785 143.212 1.00 22.74 B C +ATOM 967 C VAL B 172 51.675 2.716 144.157 1.00 24.58 B C +ATOM 968 O VAL B 172 52.428 2.162 144.960 1.00 24.53 B O +ATOM 969 CB VAL B 172 52.958 3.089 142.015 1.00 22.64 B C +ATOM 970 CG1 VAL B 172 53.548 4.123 141.046 1.00 22.95 B C +ATOM 971 CG2 VAL B 172 54.025 2.032 142.373 1.00 23.18 B C +ATOM 972 H VAL B 172 53.769 4.132 144.611 1.00 21.07 B H +ATOM 973 HA VAL B 172 51.407 4.377 142.830 1.00 22.74 B H +ATOM 974 HB VAL B 172 52.185 2.564 141.452 1.00 22.64 B H +ATOM 975 HG11 VAL B 172 53.933 3.651 140.142 1.00 22.95 B H +ATOM 976 HG12 VAL B 172 52.789 4.844 140.748 1.00 22.95 B H +ATOM 977 HG13 VAL B 172 54.372 4.669 141.503 1.00 22.95 B H +ATOM 978 HG21 VAL B 172 54.541 1.682 141.479 1.00 23.18 B H +ATOM 979 HG22 VAL B 172 54.777 2.439 143.048 1.00 23.18 B H +ATOM 980 HG23 VAL B 172 53.588 1.150 142.842 1.00 23.18 B H +ATOM 981 N ALA B 173 50.355 2.472 144.057 1.00 25.72 B N +ATOM 982 CA ALA B 173 49.573 1.547 144.885 1.00 25.50 B C +ATOM 983 C ALA B 173 49.803 1.792 146.392 1.00 25.00 B C +ATOM 984 O ALA B 173 49.583 2.914 146.849 1.00 23.10 B O +ATOM 985 CB ALA B 173 49.830 0.096 144.426 1.00 24.40 B C +ATOM 986 H ALA B 173 49.822 2.961 143.348 1.00 25.72 B H +ATOM 987 HA ALA B 173 48.525 1.775 144.694 1.00 25.50 B H +ATOM 988 HB1 ALA B 173 49.199 -0.610 144.968 1.00 24.40 B H +ATOM 989 HB2 ALA B 173 49.600 -0.019 143.366 1.00 24.40 B H +ATOM 990 HB3 ALA B 173 50.870 -0.202 144.568 1.00 24.40 B H +ATOM 991 N GLU B 174 50.282 0.764 147.111 1.00 26.18 B N +ATOM 992 CA GLU B 174 50.767 0.828 148.489 1.00 30.44 B C +ATOM 993 C GLU B 174 52.053 1.675 148.565 1.00 28.21 B C +ATOM 994 O GLU B 174 53.027 1.344 147.888 1.00 26.23 B O +ATOM 995 CB GLU B 174 51.041 -0.614 148.991 1.00 37.69 B C +ATOM 996 CG GLU B 174 49.908 -1.645 148.757 1.00 50.32 B C +ATOM 997 CD GLU B 174 48.560 -1.342 149.432 1.00 56.96 B C +ATOM 998 OE1 GLU B 174 47.539 -1.793 148.867 1.00 59.68 B O +ATOM 999 OE2 GLU B 174 48.557 -0.689 150.500 1.00 61.18 B O1- +ATOM 1000 H GLU B 174 50.432 -0.119 146.646 1.00 26.18 B H +ATOM 1001 HA GLU B 174 49.992 1.286 149.103 1.00 30.44 B H +ATOM 1002 HB3 GLU B 174 51.288 -0.583 150.053 1.00 37.69 B H +ATOM 1003 HB2 GLU B 174 51.939 -1.002 148.508 1.00 37.69 B H +ATOM 1004 HG3 GLU B 174 50.241 -2.614 149.129 1.00 50.32 B H +ATOM 1005 HG2 GLU B 174 49.754 -1.784 147.686 1.00 50.32 B H +ATOM 1006 N HIS B 175 52.035 2.742 149.381 1.00 26.31 B N +ATOM 1007 CA HIS B 175 53.155 3.679 149.528 1.00 26.29 B C +ATOM 1008 C HIS B 175 53.378 4.140 150.983 1.00 27.55 B C +ATOM 1009 O HIS B 175 54.002 5.181 151.192 1.00 26.45 B O +ATOM 1010 CB HIS B 175 53.040 4.837 148.507 1.00 21.05 B C +ATOM 1011 CG HIS B 175 51.821 5.712 148.654 1.00 19.27 B C +ATOM 1012 ND1 HIS B 175 50.605 5.397 148.078 1.00 15.56 B N +ATOM 1013 CD2 HIS B 175 51.627 6.911 149.304 1.00 17.23 B C +ATOM 1014 CE1 HIS B 175 49.751 6.366 148.408 1.00 14.96 B C +ATOM 1015 NE2 HIS B 175 50.292 7.306 149.178 1.00 13.17 B N +ATOM 1016 H HIS B 175 51.189 2.964 149.892 1.00 26.31 B H +ATOM 1017 HA HIS B 175 54.078 3.147 149.291 1.00 26.29 B H +ATOM 1018 HB3 HIS B 175 53.042 4.427 147.495 1.00 21.05 B H +ATOM 1019 HB2 HIS B 175 53.924 5.474 148.562 1.00 21.05 B H +ATOM 1020 HD1 HIS B 175 50.392 4.570 147.531 1.00 15.56 B H +ATOM 1021 HD2 HIS B 175 52.332 7.499 149.872 1.00 17.23 B H +ATOM 1022 HE1 HIS B 175 48.722 6.373 148.083 1.00 14.96 B H +ATOM 1023 N GLY B 176 52.937 3.327 151.959 1.00 30.22 B N +ATOM 1024 CA GLY B 176 53.342 3.433 153.363 1.00 32.63 B C +ATOM 1025 C GLY B 176 52.263 4.020 154.284 1.00 35.23 B C +ATOM 1026 O GLY B 176 52.415 3.902 155.499 1.00 39.12 B O +ATOM 1027 H GLY B 176 52.411 2.501 151.706 1.00 30.22 B H +ATOM 1028 HA3 GLY B 176 54.257 4.017 153.474 1.00 32.63 B H +ATOM 1029 HA2 GLY B 176 53.577 2.427 153.713 1.00 32.63 B H +ATOM 1030 N ASP B 177 51.185 4.615 153.743 1.00 33.34 B N +ATOM 1031 CA ASP B 177 50.024 5.090 154.511 1.00 33.01 B C +ATOM 1032 C ASP B 177 48.839 4.116 154.334 1.00 33.84 B C +ATOM 1033 O ASP B 177 48.959 3.111 153.630 1.00 35.39 B O +ATOM 1034 CB ASP B 177 49.665 6.574 154.196 1.00 34.56 B C +ATOM 1035 CG ASP B 177 49.395 6.977 152.734 1.00 33.72 B C +ATOM 1036 OD1 ASP B 177 49.094 6.104 151.896 1.00 30.99 B O +ATOM 1037 OD2 ASP B 177 49.394 8.196 152.463 1.00 32.06 B O1- +ATOM 1038 H ASP B 177 51.103 4.671 152.738 1.00 33.34 B H +ATOM 1039 HA ASP B 177 50.254 5.062 155.576 1.00 33.01 B H +ATOM 1040 HB3 ASP B 177 50.508 7.177 154.533 1.00 34.56 B H +ATOM 1041 HB2 ASP B 177 48.821 6.899 154.806 1.00 34.56 B H +ATOM 1042 N GLY B 178 47.703 4.437 154.971 1.00 34.25 B N +ATOM 1043 CA GLY B 178 46.464 3.660 154.886 1.00 36.75 B C +ATOM 1044 C GLY B 178 45.621 4.009 153.645 1.00 35.04 B C +ATOM 1045 O GLY B 178 44.463 3.597 153.587 1.00 37.61 B O +ATOM 1046 H GLY B 178 47.675 5.275 155.534 1.00 34.25 B H +ATOM 1047 HA3 GLY B 178 45.870 3.863 155.778 1.00 36.75 B H +ATOM 1048 HA2 GLY B 178 46.677 2.589 154.888 1.00 36.75 B H +ATOM 1049 N TYR B 179 46.166 4.778 152.684 1.00 33.73 B N +ATOM 1050 CA TYR B 179 45.445 5.357 151.548 1.00 32.53 B C +ATOM 1051 C TYR B 179 46.142 5.001 150.219 1.00 30.01 B C +ATOM 1052 O TYR B 179 46.735 5.890 149.608 1.00 29.44 B O +ATOM 1053 CB TYR B 179 45.334 6.887 151.754 1.00 35.60 B C +ATOM 1054 CG TYR B 179 44.634 7.292 153.038 1.00 40.89 B C +ATOM 1055 CD1 TYR B 179 45.390 7.622 154.183 1.00 43.33 B C +ATOM 1056 CD2 TYR B 179 43.226 7.300 153.102 1.00 42.09 B C +ATOM 1057 CE1 TYR B 179 44.741 7.942 155.390 1.00 43.67 B C +ATOM 1058 CE2 TYR B 179 42.576 7.626 154.308 1.00 42.63 B C +ATOM 1059 CZ TYR B 179 43.333 7.942 155.454 1.00 43.63 B C +ATOM 1060 OH TYR B 179 42.701 8.245 156.624 1.00 45.29 B O +ATOM 1061 H TYR B 179 47.132 5.061 152.771 1.00 33.73 B H +ATOM 1062 HA TYR B 179 44.427 4.970 151.492 1.00 32.53 B H +ATOM 1063 HB3 TYR B 179 44.796 7.338 150.918 1.00 35.60 B H +ATOM 1064 HB2 TYR B 179 46.326 7.343 151.752 1.00 35.60 B H +ATOM 1065 HD1 TYR B 179 46.470 7.614 154.142 1.00 43.33 B H +ATOM 1066 HD2 TYR B 179 42.641 7.042 152.231 1.00 42.09 B H +ATOM 1067 HE1 TYR B 179 45.327 8.186 156.264 1.00 43.67 B H +ATOM 1068 HE2 TYR B 179 41.497 7.625 154.355 1.00 42.63 B H +ATOM 1069 HH TYR B 179 43.306 8.433 157.344 1.00 45.29 B H +ATOM 1070 N PRO B 180 46.094 3.718 149.787 1.00 29.94 B N +ATOM 1071 CA PRO B 180 46.724 3.297 148.524 1.00 28.82 B C +ATOM 1072 C PRO B 180 46.042 3.866 147.271 1.00 28.62 B C +ATOM 1073 O PRO B 180 44.820 4.018 147.240 1.00 30.61 B O +ATOM 1074 CB PRO B 180 46.644 1.767 148.568 1.00 29.21 B C +ATOM 1075 CG PRO B 180 45.421 1.470 149.416 1.00 30.96 B C +ATOM 1076 CD PRO B 180 45.454 2.583 150.458 1.00 28.60 B C +ATOM 1077 HA PRO B 180 47.769 3.609 148.524 1.00 28.82 B H +ATOM 1078 HB3 PRO B 180 47.537 1.391 149.064 1.00 29.21 B H +ATOM 1079 HB2 PRO B 180 46.599 1.295 147.585 1.00 29.21 B H +ATOM 1080 HG3 PRO B 180 45.427 0.469 149.849 1.00 30.96 B H +ATOM 1081 HG2 PRO B 180 44.523 1.567 148.805 1.00 30.96 B H +ATOM 1082 HD2 PRO B 180 44.452 2.802 150.827 1.00 28.60 B H +ATOM 1083 HD3 PRO B 180 46.076 2.279 151.301 1.00 28.60 B H +ATOM 1084 N PHE B 181 46.872 4.160 146.262 1.00 26.71 B N +ATOM 1085 CA PHE B 181 46.455 4.625 144.943 1.00 26.70 B C +ATOM 1086 C PHE B 181 45.816 3.522 144.074 1.00 26.77 B C +ATOM 1087 O PHE B 181 45.975 2.335 144.359 1.00 23.82 B O +ATOM 1088 CB PHE B 181 47.666 5.281 144.260 1.00 22.42 B C +ATOM 1089 CG PHE B 181 48.074 6.644 144.799 1.00 17.95 B C +ATOM 1090 CD1 PHE B 181 47.133 7.692 144.891 1.00 16.47 B C +ATOM 1091 CD2 PHE B 181 49.425 6.909 145.110 1.00 17.30 B C +ATOM 1092 CE1 PHE B 181 47.531 8.948 145.328 1.00 14.31 B C +ATOM 1093 CE2 PHE B 181 49.801 8.171 145.554 1.00 14.81 B C +ATOM 1094 CZ PHE B 181 48.855 9.181 145.671 1.00 16.31 B C +ATOM 1095 H PHE B 181 47.861 3.981 146.373 1.00 26.71 B H +ATOM 1096 HA PHE B 181 45.677 5.377 145.084 1.00 26.70 B H +ATOM 1097 HB3 PHE B 181 47.462 5.394 143.203 1.00 22.42 B H +ATOM 1098 HB2 PHE B 181 48.521 4.607 144.324 1.00 22.42 B H +ATOM 1099 HD1 PHE B 181 46.103 7.533 144.608 1.00 16.47 B H +ATOM 1100 HD2 PHE B 181 50.172 6.135 145.008 1.00 17.30 B H +ATOM 1101 HE1 PHE B 181 46.808 9.747 145.396 1.00 14.31 B H +ATOM 1102 HE2 PHE B 181 50.834 8.368 145.801 1.00 14.81 B H +ATOM 1103 HZ PHE B 181 49.152 10.159 146.013 1.00 16.31 B H +ATOM 1104 N ASP B 182 45.073 3.960 143.045 1.00 28.61 B N +ATOM 1105 CA ASP B 182 44.108 3.160 142.277 1.00 29.98 B C +ATOM 1106 C ASP B 182 44.557 2.827 140.834 1.00 30.43 B C +ATOM 1107 O ASP B 182 43.735 2.332 140.061 1.00 30.49 B O +ATOM 1108 CB ASP B 182 42.693 3.814 142.295 1.00 29.97 B C +ATOM 1109 CG ASP B 182 42.554 5.288 141.851 1.00 30.41 B C +ATOM 1110 OD1 ASP B 182 43.549 5.899 141.395 1.00 35.31 B O +ATOM 1111 OD2 ASP B 182 41.415 5.793 141.960 1.00 33.11 B O1- +ATOM 1112 H ASP B 182 45.028 4.952 142.859 1.00 28.61 B H +ATOM 1113 HA ASP B 182 44.001 2.190 142.764 1.00 29.98 B H +ATOM 1114 HB3 ASP B 182 42.330 3.770 143.323 1.00 29.97 B H +ATOM 1115 HB2 ASP B 182 41.986 3.208 141.725 1.00 29.97 B H +ATOM 1116 N GLY B 183 45.828 3.083 140.481 1.00 30.89 B N +ATOM 1117 CA GLY B 183 46.354 2.858 139.131 1.00 29.05 B C +ATOM 1118 C GLY B 183 46.065 4.064 138.226 1.00 29.44 B C +ATOM 1119 O GLY B 183 45.760 5.153 138.710 1.00 25.58 B O +ATOM 1120 H GLY B 183 46.467 3.469 141.162 1.00 30.89 B H +ATOM 1121 HA3 GLY B 183 45.938 1.949 138.693 1.00 29.05 B H +ATOM 1122 HA2 GLY B 183 47.429 2.717 139.192 1.00 29.05 B H +ATOM 1123 N LYS B 184 46.184 3.877 136.900 1.00 29.06 B N +ATOM 1124 CA LYS B 184 45.933 4.916 135.893 1.00 30.26 B C +ATOM 1125 C LYS B 184 44.480 5.434 135.938 1.00 28.94 B C +ATOM 1126 O LYS B 184 43.545 4.632 135.940 1.00 30.47 B O +ATOM 1127 CB LYS B 184 46.320 4.388 134.494 1.00 33.27 B C +ATOM 1128 CG LYS B 184 46.110 5.413 133.362 1.00 36.93 B C +ATOM 1129 CD LYS B 184 46.497 4.885 131.972 1.00 41.28 B C +ATOM 1130 CE LYS B 184 46.272 5.909 130.843 1.00 44.88 B C +ATOM 1131 NZ LYS B 184 44.844 6.205 130.613 1.00 43.95 B N1+ +ATOM 1132 H LYS B 184 46.427 2.960 136.546 1.00 29.06 B H +ATOM 1133 HA LYS B 184 46.602 5.747 136.127 1.00 30.26 B H +ATOM 1134 HB3 LYS B 184 45.748 3.485 134.271 1.00 33.27 B H +ATOM 1135 HB2 LYS B 184 47.369 4.087 134.506 1.00 33.27 B H +ATOM 1136 HG3 LYS B 184 46.686 6.313 133.584 1.00 36.93 B H +ATOM 1137 HG2 LYS B 184 45.065 5.718 133.335 1.00 36.93 B H +ATOM 1138 HD3 LYS B 184 45.945 3.967 131.760 1.00 41.28 B H +ATOM 1139 HD2 LYS B 184 47.550 4.600 131.983 1.00 41.28 B H +ATOM 1140 HE3 LYS B 184 46.690 5.524 129.912 1.00 44.88 B H +ATOM 1141 HE2 LYS B 184 46.797 6.839 131.066 1.00 44.88 B H +ATOM 1142 HZ1 LYS B 184 44.433 6.601 131.450 1.00 43.95 B H +ATOM 1143 HZ2 LYS B 184 44.749 6.868 129.857 1.00 43.95 B H +ATOM 1144 HZ3 LYS B 184 44.351 5.356 130.377 1.00 43.95 B H +ATOM 1145 N ASP B 185 44.344 6.771 135.967 1.00 29.99 B N +ATOM 1146 CA ASP B 185 43.098 7.541 136.087 1.00 30.47 B C +ATOM 1147 C ASP B 185 42.424 7.360 137.465 1.00 31.65 B C +ATOM 1148 O ASP B 185 42.977 6.694 138.342 1.00 32.44 B O +ATOM 1149 CB ASP B 185 42.123 7.358 134.888 1.00 35.39 B C +ATOM 1150 CG ASP B 185 42.739 7.589 133.492 1.00 38.40 B C +ATOM 1151 OD1 ASP B 185 43.663 8.425 133.363 1.00 39.28 B O +ATOM 1152 OD2 ASP B 185 42.183 7.016 132.529 1.00 42.49 B O1- +ATOM 1153 H ASP B 185 45.179 7.345 135.940 1.00 29.99 B H +ATOM 1154 HA ASP B 185 43.415 8.585 136.082 1.00 30.47 B H +ATOM 1155 HB3 ASP B 185 41.295 8.062 134.973 1.00 35.39 B H +ATOM 1156 HB2 ASP B 185 41.691 6.356 134.918 1.00 35.39 B H +ATOM 1157 N GLY B 186 41.267 8.011 137.666 1.00 29.41 B N +ATOM 1158 CA GLY B 186 40.622 8.096 138.975 1.00 27.84 B C +ATOM 1159 C GLY B 186 41.355 9.158 139.804 1.00 27.88 B C +ATOM 1160 O GLY B 186 41.607 10.256 139.310 1.00 29.24 B O +ATOM 1161 H GLY B 186 40.856 8.554 136.918 1.00 29.41 B H +ATOM 1162 HA3 GLY B 186 40.620 7.126 139.476 1.00 27.84 B H +ATOM 1163 HA2 GLY B 186 39.582 8.393 138.840 1.00 27.84 B H +ATOM 1164 N LEU B 187 41.682 8.828 141.064 1.00 27.15 B N +ATOM 1165 CA LEU B 187 42.420 9.675 142.005 1.00 25.82 B C +ATOM 1166 C LEU B 187 43.826 10.019 141.471 1.00 22.60 B C +ATOM 1167 O LEU B 187 44.624 9.106 141.269 1.00 17.85 B O +ATOM 1168 CB LEU B 187 42.487 8.928 143.360 1.00 27.95 B C +ATOM 1169 CG LEU B 187 43.018 9.743 144.560 1.00 30.41 B C +ATOM 1170 CD1 LEU B 187 42.000 10.807 145.002 1.00 28.19 B C +ATOM 1171 CD2 LEU B 187 43.403 8.829 145.740 1.00 34.06 B C +ATOM 1172 H LEU B 187 41.462 7.897 141.399 1.00 27.15 B H +ATOM 1173 HA LEU B 187 41.844 10.594 142.122 1.00 25.82 B H +ATOM 1174 HB3 LEU B 187 43.113 8.043 143.232 1.00 27.95 B H +ATOM 1175 HB2 LEU B 187 41.498 8.543 143.615 1.00 27.95 B H +ATOM 1176 HG LEU B 187 43.928 10.259 144.253 1.00 30.41 B H +ATOM 1177 HD11 LEU B 187 42.400 11.431 145.801 1.00 28.19 B H +ATOM 1178 HD12 LEU B 187 41.728 11.461 144.178 1.00 28.19 B H +ATOM 1179 HD13 LEU B 187 41.083 10.346 145.370 1.00 28.19 B H +ATOM 1180 HD21 LEU B 187 42.883 9.101 146.659 1.00 34.06 B H +ATOM 1181 HD22 LEU B 187 43.177 7.780 145.542 1.00 34.06 B H +ATOM 1182 HD23 LEU B 187 44.471 8.893 145.942 1.00 34.06 B H +ATOM 1183 N LEU B 188 44.093 11.312 141.226 1.00 22.16 B N +ATOM 1184 CA LEU B 188 45.376 11.808 140.711 1.00 22.33 B C +ATOM 1185 C LEU B 188 46.450 11.908 141.805 1.00 23.14 B C +ATOM 1186 O LEU B 188 47.632 11.725 141.518 1.00 22.98 B O +ATOM 1187 CB LEU B 188 45.189 13.207 140.074 1.00 19.27 B C +ATOM 1188 CG LEU B 188 44.173 13.296 138.918 1.00 20.81 B C +ATOM 1189 CD1 LEU B 188 44.168 14.710 138.322 1.00 12.81 B C +ATOM 1190 CD2 LEU B 188 44.403 12.256 137.820 1.00 17.71 B C +ATOM 1191 H LEU B 188 43.371 12.009 141.366 1.00 22.16 B H +ATOM 1192 HA LEU B 188 45.746 11.118 139.954 1.00 22.33 B H +ATOM 1193 HB3 LEU B 188 46.155 13.548 139.700 1.00 19.27 B H +ATOM 1194 HB2 LEU B 188 44.900 13.922 140.847 1.00 19.27 B H +ATOM 1195 HG LEU B 188 43.175 13.118 139.314 1.00 20.81 B H +ATOM 1196 HD11 LEU B 188 43.272 14.867 137.727 1.00 12.81 B H +ATOM 1197 HD12 LEU B 188 44.197 15.476 139.096 1.00 12.81 B H +ATOM 1198 HD13 LEU B 188 45.025 14.867 137.666 1.00 12.81 B H +ATOM 1199 HD21 LEU B 188 44.085 12.631 136.854 1.00 17.71 B H +ATOM 1200 HD22 LEU B 188 45.455 11.986 137.733 1.00 17.71 B H +ATOM 1201 HD23 LEU B 188 43.820 11.356 138.012 1.00 17.71 B H +ATOM 1202 N ALA B 189 46.006 12.242 143.025 1.00 23.03 B N +ATOM 1203 CA ALA B 189 46.824 12.646 144.161 1.00 22.63 B C +ATOM 1204 C ALA B 189 45.920 12.795 145.396 1.00 23.10 B C +ATOM 1205 O ALA B 189 44.697 12.720 145.278 1.00 25.16 B O +ATOM 1206 CB ALA B 189 47.524 13.982 143.826 1.00 21.82 B C +ATOM 1207 H ALA B 189 45.010 12.334 143.169 1.00 23.03 B H +ATOM 1208 HA ALA B 189 47.567 11.873 144.362 1.00 22.63 B H +ATOM 1209 HB1 ALA B 189 48.077 14.378 144.676 1.00 21.82 B H +ATOM 1210 HB2 ALA B 189 48.241 13.870 143.013 1.00 21.82 B H +ATOM 1211 HB3 ALA B 189 46.804 14.741 143.521 1.00 21.82 B H +ATOM 1212 N HIS B 190 46.537 13.037 146.560 1.00 22.01 B N +ATOM 1213 CA HIS B 190 45.853 13.418 147.797 1.00 21.61 B C +ATOM 1214 C HIS B 190 46.831 14.143 148.727 1.00 22.17 B C +ATOM 1215 O HIS B 190 48.042 13.954 148.619 1.00 21.16 B O +ATOM 1216 CB HIS B 190 45.170 12.210 148.479 1.00 19.44 B C +ATOM 1217 CG HIS B 190 46.074 11.047 148.803 1.00 21.62 B C +ATOM 1218 ND1 HIS B 190 45.935 9.813 148.199 1.00 20.29 B N +ATOM 1219 CD2 HIS B 190 47.132 10.918 149.677 1.00 23.01 B C +ATOM 1220 CE1 HIS B 190 46.905 9.032 148.675 1.00 20.79 B C +ATOM 1221 NE2 HIS B 190 47.684 9.642 149.561 1.00 19.38 B N +ATOM 1222 H HIS B 190 47.549 13.072 146.592 1.00 22.01 B H +ATOM 1223 HA HIS B 190 45.077 14.139 147.544 1.00 21.61 B H +ATOM 1224 HB3 HIS B 190 44.354 11.850 147.851 1.00 19.44 B H +ATOM 1225 HB2 HIS B 190 44.698 12.530 149.409 1.00 19.44 B H +ATOM 1226 HD1 HIS B 190 45.246 9.557 147.506 1.00 20.29 B H +ATOM 1227 HD2 HIS B 190 47.560 11.650 150.347 1.00 23.01 B H +ATOM 1228 HE1 HIS B 190 47.059 8.020 148.336 1.00 20.79 B H +ATOM 1229 N ALA B 191 46.272 14.955 149.633 1.00 19.90 B N +ATOM 1230 CA ALA B 191 47.034 15.731 150.602 1.00 21.04 B C +ATOM 1231 C ALA B 191 46.264 15.864 151.917 1.00 24.29 B C +ATOM 1232 O ALA B 191 45.032 15.867 151.922 1.00 23.00 B O +ATOM 1233 CB ALA B 191 47.390 17.098 150.001 1.00 16.20 B C +ATOM 1234 H ALA B 191 45.267 15.048 149.689 1.00 19.90 B H +ATOM 1235 HA ALA B 191 47.953 15.190 150.828 1.00 21.04 B H +ATOM 1236 HB1 ALA B 191 47.837 17.765 150.740 1.00 16.20 B H +ATOM 1237 HB2 ALA B 191 48.103 16.989 149.187 1.00 16.20 B H +ATOM 1238 HB3 ALA B 191 46.507 17.585 149.592 1.00 16.20 B H +ATOM 1239 N PHE B 192 47.036 15.961 153.006 1.00 25.22 B N +ATOM 1240 CA PHE B 192 46.558 15.981 154.384 1.00 23.69 B C +ATOM 1241 C PHE B 192 46.545 17.437 154.902 1.00 24.15 B C +ATOM 1242 O PHE B 192 47.480 18.173 154.583 1.00 23.64 B O +ATOM 1243 CB PHE B 192 47.531 15.131 155.225 1.00 23.93 B C +ATOM 1244 CG PHE B 192 47.611 13.664 154.834 1.00 26.85 B C +ATOM 1245 CD1 PHE B 192 48.533 13.233 153.855 1.00 29.60 B C +ATOM 1246 CD2 PHE B 192 46.651 12.751 155.318 1.00 27.63 B C +ATOM 1247 CE1 PHE B 192 48.523 11.913 153.424 1.00 27.95 B C +ATOM 1248 CE2 PHE B 192 46.661 11.434 154.879 1.00 29.13 B C +ATOM 1249 CZ PHE B 192 47.595 11.016 153.939 1.00 29.53 B C +ATOM 1250 H PHE B 192 48.041 15.989 152.891 1.00 25.22 B H +ATOM 1251 HA PHE B 192 45.578 15.509 154.426 1.00 23.69 B H +ATOM 1252 HB3 PHE B 192 47.212 15.169 156.267 1.00 23.93 B H +ATOM 1253 HB2 PHE B 192 48.536 15.555 155.190 1.00 23.93 B H +ATOM 1254 HD1 PHE B 192 49.249 13.926 153.439 1.00 29.60 B H +ATOM 1255 HD2 PHE B 192 45.906 13.072 156.032 1.00 27.63 B H +ATOM 1256 HE1 PHE B 192 49.237 11.584 152.684 1.00 27.95 B H +ATOM 1257 HE2 PHE B 192 45.933 10.734 155.261 1.00 29.13 B H +ATOM 1258 HZ PHE B 192 47.590 9.991 153.601 1.00 29.53 B H +ATOM 1259 N PRO B 193 45.529 17.831 155.714 1.00 25.45 B N +ATOM 1260 CA PRO B 193 45.508 19.141 156.411 1.00 23.84 B C +ATOM 1261 C PRO B 193 46.740 19.428 157.309 1.00 24.12 B C +ATOM 1262 O PRO B 193 47.370 18.470 157.746 1.00 24.59 B O +ATOM 1263 CB PRO B 193 44.232 19.069 157.270 1.00 23.85 B C +ATOM 1264 CG PRO B 193 43.329 18.094 156.544 1.00 27.72 B C +ATOM 1265 CD PRO B 193 44.309 17.071 155.991 1.00 24.82 B C +ATOM 1266 HA PRO B 193 45.383 19.887 155.633 1.00 23.84 B H +ATOM 1267 HB3 PRO B 193 43.760 20.043 157.406 1.00 23.85 B H +ATOM 1268 HB2 PRO B 193 44.455 18.671 158.261 1.00 23.85 B H +ATOM 1269 HG3 PRO B 193 42.835 18.609 155.718 1.00 27.72 B H +ATOM 1270 HG2 PRO B 193 42.557 17.658 157.179 1.00 27.72 B H +ATOM 1271 HD2 PRO B 193 44.531 16.300 156.730 1.00 24.82 B H +ATOM 1272 HD3 PRO B 193 43.877 16.599 155.107 1.00 24.82 B H +ATOM 1273 N PRO B 194 47.029 20.718 157.609 1.00 23.67 B N +ATOM 1274 CA PRO B 194 48.103 21.162 158.533 1.00 24.52 B C +ATOM 1275 C PRO B 194 48.199 20.442 159.891 1.00 26.78 B C +ATOM 1276 O PRO B 194 47.170 20.110 160.473 1.00 27.80 B O +ATOM 1277 CB PRO B 194 47.779 22.649 158.747 1.00 23.21 B C +ATOM 1278 CG PRO B 194 47.179 23.078 157.427 1.00 23.95 B C +ATOM 1279 CD PRO B 194 46.347 21.873 157.026 1.00 22.01 B C +ATOM 1280 HA PRO B 194 49.045 21.060 157.994 1.00 24.52 B H +ATOM 1281 HB3 PRO B 194 48.652 23.240 159.017 1.00 23.21 B H +ATOM 1282 HB2 PRO B 194 47.038 22.777 159.538 1.00 23.21 B H +ATOM 1283 HG3 PRO B 194 47.982 23.232 156.712 1.00 23.95 B H +ATOM 1284 HG2 PRO B 194 46.599 23.995 157.463 1.00 23.95 B H +ATOM 1285 HD2 PRO B 194 45.342 21.946 157.443 1.00 22.01 B H +ATOM 1286 HD3 PRO B 194 46.278 21.821 155.940 1.00 22.01 B H +ATOM 1287 N GLY B 195 49.432 20.233 160.377 1.00 26.68 B N +ATOM 1288 CA GLY B 195 49.682 19.602 161.674 1.00 25.28 B C +ATOM 1289 C GLY B 195 50.966 18.753 161.636 1.00 26.25 B C +ATOM 1290 O GLY B 195 51.668 18.739 160.625 1.00 27.65 B O +ATOM 1291 H GLY B 195 50.240 20.523 159.844 1.00 26.68 B H +ATOM 1292 HA3 GLY B 195 48.848 18.959 161.957 1.00 25.28 B H +ATOM 1293 HA2 GLY B 195 49.777 20.380 162.432 1.00 25.28 B H +ATOM 1294 N PRO B 196 51.288 18.051 162.747 1.00 26.70 B N +ATOM 1295 CA PRO B 196 52.508 17.230 162.879 1.00 26.43 B C +ATOM 1296 C PRO B 196 52.412 15.861 162.177 1.00 25.56 B C +ATOM 1297 O PRO B 196 51.321 15.305 162.057 1.00 28.95 B O +ATOM 1298 CB PRO B 196 52.637 17.065 164.402 1.00 26.13 B C +ATOM 1299 CG PRO B 196 51.204 17.063 164.910 1.00 24.53 B C +ATOM 1300 CD PRO B 196 50.516 18.068 163.993 1.00 23.89 B C +ATOM 1301 HA PRO B 196 53.377 17.767 162.494 1.00 26.43 B H +ATOM 1302 HB3 PRO B 196 53.171 17.923 164.814 1.00 26.13 B H +ATOM 1303 HB2 PRO B 196 53.184 16.170 164.703 1.00 26.13 B H +ATOM 1304 HG3 PRO B 196 51.117 17.312 165.968 1.00 24.53 B H +ATOM 1305 HG2 PRO B 196 50.767 16.075 164.762 1.00 24.53 B H +ATOM 1306 HD2 PRO B 196 49.467 17.808 163.848 1.00 23.89 B H +ATOM 1307 HD3 PRO B 196 50.567 19.069 164.426 1.00 23.89 B H +ATOM 1308 N GLY B 197 53.575 15.324 161.772 1.00 24.12 B N +ATOM 1309 CA GLY B 197 53.692 13.994 161.174 1.00 22.38 B C +ATOM 1310 C GLY B 197 53.224 14.030 159.716 1.00 23.14 B C +ATOM 1311 O GLY B 197 53.586 14.946 158.977 1.00 21.24 B O +ATOM 1312 H GLY B 197 54.437 15.824 161.944 1.00 24.12 B H +ATOM 1313 HA3 GLY B 197 53.118 13.268 161.753 1.00 22.38 B H +ATOM 1314 HA2 GLY B 197 54.735 13.680 161.205 1.00 22.38 B H +ATOM 1315 N ILE B 198 52.430 13.025 159.305 1.00 24.37 B N +ATOM 1316 CA ILE B 198 51.870 12.891 157.952 1.00 26.26 B C +ATOM 1317 C ILE B 198 50.931 14.049 157.520 1.00 26.36 B C +ATOM 1318 O ILE B 198 50.756 14.262 156.321 1.00 27.06 B O +ATOM 1319 CB ILE B 198 51.147 11.524 157.765 1.00 27.60 B C +ATOM 1320 CG1 ILE B 198 50.867 11.199 156.277 1.00 29.76 B C +ATOM 1321 CG2 ILE B 198 49.861 11.383 158.607 1.00 27.08 B C +ATOM 1322 CD1 ILE B 198 50.600 9.716 155.994 1.00 31.30 B C +ATOM 1323 H ILE B 198 52.183 12.293 159.960 1.00 24.37 B H +ATOM 1324 HA ILE B 198 52.726 12.904 157.282 1.00 26.26 B H +ATOM 1325 HB ILE B 198 51.844 10.766 158.125 1.00 27.60 B H +ATOM 1326 HG13 ILE B 198 51.715 11.511 155.665 1.00 29.76 B H +ATOM 1327 HG12 ILE B 198 50.014 11.776 155.924 1.00 29.76 B H +ATOM 1328 HG21 ILE B 198 49.476 10.364 158.572 1.00 27.08 B H +ATOM 1329 HG22 ILE B 198 50.043 11.619 159.656 1.00 27.08 B H +ATOM 1330 HG23 ILE B 198 49.067 12.041 158.253 1.00 27.08 B H +ATOM 1331 HD11 ILE B 198 50.642 9.523 154.922 1.00 31.30 B H +ATOM 1332 HD12 ILE B 198 51.338 9.074 156.475 1.00 31.30 B H +ATOM 1333 HD13 ILE B 198 49.611 9.416 156.339 1.00 31.30 B H +ATOM 1334 N GLN B 199 50.394 14.810 158.489 1.00 26.62 B N +ATOM 1335 CA GLN B 199 49.648 16.049 158.269 1.00 26.46 B C +ATOM 1336 C GLN B 199 50.495 17.117 157.550 1.00 23.79 B C +ATOM 1337 O GLN B 199 51.648 17.339 157.920 1.00 25.59 B O +ATOM 1338 CB GLN B 199 49.069 16.560 159.608 1.00 29.46 B C +ATOM 1339 CG GLN B 199 47.652 16.065 159.972 1.00 38.14 B C +ATOM 1340 CD GLN B 199 47.479 14.544 160.007 1.00 41.94 B C +ATOM 1341 OE1 GLN B 199 48.344 13.821 160.495 1.00 44.27 B O +ATOM 1342 NE2 GLN B 199 46.338 14.054 159.519 1.00 46.11 B N +ATOM 1343 H GLN B 199 50.563 14.567 159.455 1.00 26.62 B H +ATOM 1344 HA GLN B 199 48.810 15.806 157.620 1.00 26.46 B H +ATOM 1345 HB3 GLN B 199 49.023 17.646 159.589 1.00 29.46 B H +ATOM 1346 HB2 GLN B 199 49.754 16.328 160.420 1.00 29.46 B H +ATOM 1347 HG3 GLN B 199 46.931 16.476 159.266 1.00 38.14 B H +ATOM 1348 HG2 GLN B 199 47.374 16.461 160.949 1.00 38.14 B H +ATOM 1349 HE22 GLN B 199 46.172 13.059 159.537 1.00 46.11 B H +ATOM 1350 HE21 GLN B 199 45.634 14.670 159.140 1.00 46.11 B H +ATOM 1351 N GLY B 200 49.901 17.735 156.519 1.00 23.38 B N +ATOM 1352 CA GLY B 200 50.520 18.755 155.680 1.00 18.35 B C +ATOM 1353 C GLY B 200 51.157 18.166 154.413 1.00 20.05 B C +ATOM 1354 O GLY B 200 51.496 18.936 153.521 1.00 21.28 B O +ATOM 1355 H GLY B 200 48.940 17.508 156.302 1.00 23.38 B H +ATOM 1356 HA3 GLY B 200 51.292 19.289 156.233 1.00 18.35 B H +ATOM 1357 HA2 GLY B 200 49.764 19.490 155.399 1.00 18.35 B H +ATOM 1358 N ASP B 201 51.336 16.837 154.312 1.00 18.69 B N +ATOM 1359 CA ASP B 201 52.019 16.175 153.191 1.00 18.67 B C +ATOM 1360 C ASP B 201 51.137 16.099 151.931 1.00 20.96 B C +ATOM 1361 O ASP B 201 49.914 16.160 152.045 1.00 21.22 B O +ATOM 1362 CB ASP B 201 52.557 14.772 153.575 1.00 17.24 B C +ATOM 1363 CG ASP B 201 53.570 14.725 154.737 1.00 19.44 B C +ATOM 1364 OD1 ASP B 201 54.023 15.791 155.214 1.00 14.37 B O +ATOM 1365 OD2 ASP B 201 53.948 13.589 155.092 1.00 16.31 B O1- +ATOM 1366 H ASP B 201 51.022 16.233 155.059 1.00 18.69 B H +ATOM 1367 HA ASP B 201 52.882 16.790 152.923 1.00 18.67 B H +ATOM 1368 HB3 ASP B 201 53.022 14.299 152.710 1.00 17.24 B H +ATOM 1369 HB2 ASP B 201 51.717 14.132 153.849 1.00 17.24 B H +ATOM 1370 N ALA B 202 51.787 15.973 150.761 1.00 18.26 B N +ATOM 1371 CA ALA B 202 51.148 15.954 149.443 1.00 17.33 B C +ATOM 1372 C ALA B 202 51.746 14.830 148.589 1.00 18.72 B C +ATOM 1373 O ALA B 202 52.901 14.929 148.175 1.00 20.07 B O +ATOM 1374 CB ALA B 202 51.328 17.328 148.776 1.00 16.82 B C +ATOM 1375 H ALA B 202 52.796 15.906 150.761 1.00 18.26 B H +ATOM 1376 HA ALA B 202 50.079 15.760 149.543 1.00 17.33 B H +ATOM 1377 HB1 ALA B 202 50.977 17.315 147.744 1.00 16.82 B H +ATOM 1378 HB2 ALA B 202 50.765 18.097 149.306 1.00 16.82 B H +ATOM 1379 HB3 ALA B 202 52.375 17.633 148.761 1.00 16.82 B H +ATOM 1380 N HIS B 203 50.953 13.772 148.358 1.00 17.89 B N +ATOM 1381 CA HIS B 203 51.365 12.564 147.642 1.00 15.98 B C +ATOM 1382 C HIS B 203 50.710 12.521 146.253 1.00 18.64 B C +ATOM 1383 O HIS B 203 49.524 12.824 146.137 1.00 18.44 B O +ATOM 1384 CB HIS B 203 50.984 11.316 148.466 1.00 17.39 B C +ATOM 1385 CG HIS B 203 51.556 11.243 149.867 1.00 20.36 B C +ATOM 1386 ND1 HIS B 203 51.101 10.307 150.803 1.00 18.51 B N +ATOM 1387 CD2 HIS B 203 52.557 11.994 150.454 1.00 17.40 B C +ATOM 1388 CE1 HIS B 203 51.825 10.531 151.894 1.00 17.19 B C +ATOM 1389 NE2 HIS B 203 52.708 11.515 151.741 1.00 17.14 B N +ATOM 1390 H HIS B 203 49.996 13.786 148.689 1.00 17.89 B H +ATOM 1391 HA HIS B 203 52.447 12.559 147.520 1.00 15.98 B H +ATOM 1392 HB3 HIS B 203 51.304 10.419 147.934 1.00 17.39 B H +ATOM 1393 HB2 HIS B 203 49.899 11.252 148.547 1.00 17.39 B H +ATOM 1394 HD2 HIS B 203 53.167 12.800 150.073 1.00 17.40 B H +ATOM 1395 HE1 HIS B 203 51.720 9.966 152.808 1.00 17.19 B H +ATOM 1396 HE2 HIS B 203 53.378 11.834 152.428 1.00 17.14 B H +ATOM 1397 N PHE B 204 51.494 12.121 145.240 1.00 19.00 B N +ATOM 1398 CA PHE B 204 51.109 12.101 143.825 1.00 15.37 B C +ATOM 1399 C PHE B 204 51.191 10.664 143.286 1.00 15.36 B C +ATOM 1400 O PHE B 204 52.157 9.965 143.594 1.00 15.05 B O +ATOM 1401 CB PHE B 204 52.068 13.027 143.043 1.00 16.11 B C +ATOM 1402 CG PHE B 204 52.008 14.494 143.440 1.00 14.27 B C +ATOM 1403 CD1 PHE B 204 52.768 14.968 144.533 1.00 15.41 B C +ATOM 1404 CD2 PHE B 204 51.064 15.356 142.843 1.00 13.45 B C +ATOM 1405 CE1 PHE B 204 52.609 16.271 144.982 1.00 15.16 B C +ATOM 1406 CE2 PHE B 204 50.935 16.662 143.296 1.00 14.52 B C +ATOM 1407 CZ PHE B 204 51.700 17.116 144.363 1.00 14.98 B C +ATOM 1408 H PHE B 204 52.457 11.876 145.432 1.00 19.00 B H +ATOM 1409 HA PHE B 204 50.088 12.460 143.695 1.00 15.37 B H +ATOM 1410 HB3 PHE B 204 51.863 12.954 141.974 1.00 16.11 B H +ATOM 1411 HB2 PHE B 204 53.096 12.684 143.175 1.00 16.11 B H +ATOM 1412 HD1 PHE B 204 53.465 14.315 145.037 1.00 15.41 B H +ATOM 1413 HD2 PHE B 204 50.442 15.004 142.032 1.00 13.45 B H +ATOM 1414 HE1 PHE B 204 53.182 16.630 145.824 1.00 15.16 B H +ATOM 1415 HE2 PHE B 204 50.228 17.327 142.826 1.00 14.52 B H +ATOM 1416 HZ PHE B 204 51.586 18.127 144.725 1.00 14.98 B H +ATOM 1417 N ASP B 205 50.193 10.247 142.485 1.00 16.99 B N +ATOM 1418 CA ASP B 205 50.152 8.909 141.886 1.00 18.47 B C +ATOM 1419 C ASP B 205 51.035 8.870 140.626 1.00 17.99 B C +ATOM 1420 O ASP B 205 50.723 9.559 139.658 1.00 16.40 B O +ATOM 1421 CB ASP B 205 48.703 8.435 141.588 1.00 16.97 B C +ATOM 1422 CG ASP B 205 48.537 6.957 141.173 1.00 17.69 B C +ATOM 1423 OD1 ASP B 205 49.524 6.188 141.198 1.00 24.22 B O +ATOM 1424 OD2 ASP B 205 47.380 6.560 140.921 1.00 22.67 B O1- +ATOM 1425 H ASP B 205 49.426 10.863 142.254 1.00 16.99 B H +ATOM 1426 HA ASP B 205 50.558 8.216 142.623 1.00 18.47 B H +ATOM 1427 HB3 ASP B 205 48.252 9.075 140.829 1.00 16.97 B H +ATOM 1428 HB2 ASP B 205 48.095 8.609 142.475 1.00 16.97 B H +ATOM 1429 N ASP B 206 52.092 8.042 140.655 1.00 18.18 B N +ATOM 1430 CA ASP B 206 53.060 7.881 139.566 1.00 19.10 B C +ATOM 1431 C ASP B 206 52.693 6.745 138.580 1.00 22.02 B C +ATOM 1432 O ASP B 206 53.510 6.422 137.718 1.00 22.79 B O +ATOM 1433 CB ASP B 206 54.501 7.727 140.123 1.00 18.63 B C +ATOM 1434 CG ASP B 206 55.656 8.195 139.214 1.00 21.55 B C +ATOM 1435 OD1 ASP B 206 55.432 9.069 138.343 1.00 22.68 B O +ATOM 1436 OD2 ASP B 206 56.796 7.766 139.490 1.00 24.38 B O1- +ATOM 1437 H ASP B 206 52.259 7.486 141.486 1.00 18.18 B H +ATOM 1438 HA ASP B 206 53.009 8.793 138.972 1.00 19.10 B H +ATOM 1439 HB3 ASP B 206 54.675 6.689 140.407 1.00 18.63 B H +ATOM 1440 HB2 ASP B 206 54.574 8.281 141.059 1.00 18.63 B H +ATOM 1441 N ASP B 207 51.471 6.189 138.669 1.00 21.73 B N +ATOM 1442 CA ASP B 207 50.826 5.443 137.574 1.00 20.62 B C +ATOM 1443 C ASP B 207 50.055 6.379 136.624 1.00 20.79 B C +ATOM 1444 O ASP B 207 49.613 5.921 135.569 1.00 23.31 B O +ATOM 1445 CB ASP B 207 49.940 4.268 138.066 1.00 19.80 B C +ATOM 1446 CG ASP B 207 50.699 3.095 138.718 1.00 22.45 B C +ATOM 1447 OD1 ASP B 207 51.887 2.885 138.389 1.00 20.45 B O +ATOM 1448 OD2 ASP B 207 50.028 2.315 139.428 1.00 23.05 B O1- +ATOM 1449 H ASP B 207 50.872 6.426 139.450 1.00 21.73 B H +ATOM 1450 HA ASP B 207 51.603 5.016 136.935 1.00 20.62 B H +ATOM 1451 HB3 ASP B 207 49.359 3.858 137.239 1.00 19.80 B H +ATOM 1452 HB2 ASP B 207 49.218 4.649 138.790 1.00 19.80 B H +ATOM 1453 N GLU B 208 49.969 7.677 136.967 1.00 18.69 B N +ATOM 1454 CA GLU B 208 49.543 8.738 136.061 1.00 20.13 B C +ATOM 1455 C GLU B 208 50.712 9.211 135.190 1.00 21.01 B C +ATOM 1456 O GLU B 208 51.869 9.151 135.613 1.00 19.13 B O +ATOM 1457 CB GLU B 208 48.976 9.934 136.863 1.00 20.83 B C +ATOM 1458 CG GLU B 208 47.832 9.613 137.852 1.00 29.96 B C +ATOM 1459 CD GLU B 208 46.482 9.225 137.229 1.00 33.57 B C +ATOM 1460 OE1 GLU B 208 46.417 8.947 136.012 1.00 36.59 B O +ATOM 1461 OE2 GLU B 208 45.494 9.230 137.993 1.00 40.04 B O1- +ATOM 1462 H GLU B 208 50.343 7.981 137.855 1.00 18.69 B H +ATOM 1463 HA GLU B 208 48.785 8.337 135.390 1.00 20.13 B H +ATOM 1464 HB3 GLU B 208 48.629 10.700 136.168 1.00 20.83 B H +ATOM 1465 HB2 GLU B 208 49.786 10.414 137.412 1.00 20.83 B H +ATOM 1466 HG3 GLU B 208 47.676 10.488 138.484 1.00 29.96 B H +ATOM 1467 HG2 GLU B 208 48.136 8.812 138.526 1.00 29.96 B H +ATOM 1468 N LEU B 209 50.366 9.701 133.993 1.00 18.61 B N +ATOM 1469 CA LEU B 209 51.289 10.346 133.071 1.00 17.96 B C +ATOM 1470 C LEU B 209 51.344 11.844 133.397 1.00 18.42 B C +ATOM 1471 O LEU B 209 50.394 12.568 133.098 1.00 18.49 B O +ATOM 1472 CB LEU B 209 50.832 10.036 131.631 1.00 18.74 B C +ATOM 1473 CG LEU B 209 51.622 10.734 130.503 1.00 19.98 B C +ATOM 1474 CD1 LEU B 209 53.141 10.462 130.572 1.00 18.61 B C +ATOM 1475 CD2 LEU B 209 51.014 10.351 129.141 1.00 17.02 B C +ATOM 1476 H LEU B 209 49.393 9.694 133.715 1.00 18.61 B H +ATOM 1477 HA LEU B 209 52.284 9.919 133.201 1.00 17.96 B H +ATOM 1478 HB3 LEU B 209 49.778 10.302 131.529 1.00 18.74 B H +ATOM 1479 HB2 LEU B 209 50.880 8.956 131.483 1.00 18.74 B H +ATOM 1480 HG LEU B 209 51.491 11.812 130.603 1.00 19.98 B H +ATOM 1481 HD11 LEU B 209 53.586 10.282 129.593 1.00 18.61 B H +ATOM 1482 HD12 LEU B 209 53.662 11.317 131.004 1.00 18.61 B H +ATOM 1483 HD13 LEU B 209 53.376 9.595 131.190 1.00 18.61 B H +ATOM 1484 HD21 LEU B 209 51.763 10.074 128.400 1.00 17.02 B H +ATOM 1485 HD22 LEU B 209 50.321 9.513 129.218 1.00 17.02 B H +ATOM 1486 HD23 LEU B 209 50.446 11.192 128.750 1.00 17.02 B H +ATOM 1487 N TRP B 210 52.451 12.264 134.026 1.00 17.94 B N +ATOM 1488 CA TRP B 210 52.718 13.649 134.396 1.00 16.68 B C +ATOM 1489 C TRP B 210 53.367 14.416 133.242 1.00 16.25 B C +ATOM 1490 O TRP B 210 54.234 13.893 132.540 1.00 14.91 B O +ATOM 1491 CB TRP B 210 53.566 13.710 135.679 1.00 15.77 B C +ATOM 1492 CG TRP B 210 52.882 13.135 136.881 1.00 14.61 B C +ATOM 1493 CD1 TRP B 210 53.223 11.991 137.516 1.00 13.93 B C +ATOM 1494 CD2 TRP B 210 51.676 13.619 137.546 1.00 14.73 B C +ATOM 1495 NE1 TRP B 210 52.330 11.749 138.537 1.00 15.76 B N +ATOM 1496 CE2 TRP B 210 51.345 12.711 138.596 1.00 14.79 B C +ATOM 1497 CE3 TRP B 210 50.811 14.724 137.358 1.00 16.70 B C +ATOM 1498 CZ2 TRP B 210 50.214 12.883 139.412 1.00 13.38 B C +ATOM 1499 CZ3 TRP B 210 49.673 14.908 138.169 1.00 13.30 B C +ATOM 1500 CH2 TRP B 210 49.371 13.985 139.190 1.00 13.83 B C +ATOM 1501 H TRP B 210 53.188 11.601 134.239 1.00 17.94 B H +ATOM 1502 HA TRP B 210 51.764 14.130 134.620 1.00 16.68 B H +ATOM 1503 HB3 TRP B 210 53.807 14.748 135.912 1.00 15.77 B H +ATOM 1504 HB2 TRP B 210 54.520 13.202 135.532 1.00 15.77 B H +ATOM 1505 HD1 TRP B 210 54.059 11.366 137.245 1.00 13.93 B H +ATOM 1506 HE1 TRP B 210 52.379 10.932 139.131 1.00 15.76 B H +ATOM 1507 HE3 TRP B 210 51.024 15.439 136.577 1.00 16.70 B H +ATOM 1508 HZ2 TRP B 210 49.988 12.170 140.191 1.00 13.38 B H +ATOM 1509 HZ3 TRP B 210 49.031 15.759 137.998 1.00 13.30 B H +ATOM 1510 HH2 TRP B 210 48.495 14.114 139.804 1.00 13.83 B H +ATOM 1511 N SER B 211 52.900 15.659 133.086 1.00 16.82 B N +ATOM 1512 CA SER B 211 53.239 16.580 132.012 1.00 15.97 B C +ATOM 1513 C SER B 211 53.012 18.019 132.521 1.00 17.15 B C +ATOM 1514 O SER B 211 52.714 18.224 133.699 1.00 20.26 B O +ATOM 1515 CB SER B 211 52.384 16.204 130.771 1.00 16.80 B C +ATOM 1516 OG SER B 211 52.690 16.971 129.621 1.00 12.64 B O +ATOM 1517 H SER B 211 52.190 15.994 133.724 1.00 16.82 B H +ATOM 1518 HA SER B 211 54.299 16.478 131.775 1.00 15.97 B H +ATOM 1519 HB3 SER B 211 51.321 16.316 130.993 1.00 16.80 B H +ATOM 1520 HB2 SER B 211 52.534 15.155 130.511 1.00 16.80 B H +ATOM 1521 HG SER B 211 53.490 16.608 129.227 1.00 12.64 B H +ATOM 1522 N LEU B 212 53.158 18.994 131.616 1.00 15.88 B N +ATOM 1523 CA LEU B 212 52.791 20.393 131.813 1.00 15.39 B C +ATOM 1524 C LEU B 212 52.098 20.899 130.539 1.00 16.86 B C +ATOM 1525 O LEU B 212 52.321 20.354 129.454 1.00 16.65 B O +ATOM 1526 CB LEU B 212 54.056 21.227 132.115 1.00 12.60 B C +ATOM 1527 CG LEU B 212 54.694 21.005 133.503 1.00 16.29 B C +ATOM 1528 CD1 LEU B 212 56.000 21.803 133.618 1.00 12.54 B C +ATOM 1529 CD2 LEU B 212 53.744 21.342 134.668 1.00 12.78 B C +ATOM 1530 H LEU B 212 53.432 18.747 130.676 1.00 15.88 B H +ATOM 1531 HA LEU B 212 52.069 20.481 132.627 1.00 15.39 B H +ATOM 1532 HB3 LEU B 212 53.825 22.289 132.017 1.00 12.60 B H +ATOM 1533 HB2 LEU B 212 54.801 21.007 131.349 1.00 12.60 B H +ATOM 1534 HG LEU B 212 54.967 19.952 133.589 1.00 16.29 B H +ATOM 1535 HD11 LEU B 212 56.503 21.586 134.560 1.00 12.54 B H +ATOM 1536 HD12 LEU B 212 56.689 21.554 132.810 1.00 12.54 B H +ATOM 1537 HD13 LEU B 212 55.815 22.876 133.579 1.00 12.54 B H +ATOM 1538 HD21 LEU B 212 54.218 21.995 135.401 1.00 12.78 B H +ATOM 1539 HD22 LEU B 212 52.840 21.847 134.328 1.00 12.78 B H +ATOM 1540 HD23 LEU B 212 53.438 20.438 135.194 1.00 12.78 B H +ATOM 1541 N GLY B 213 51.283 21.957 130.694 1.00 20.56 B N +ATOM 1542 CA GLY B 213 50.587 22.652 129.609 1.00 20.23 B C +ATOM 1543 C GLY B 213 49.603 21.751 128.848 1.00 21.25 B C +ATOM 1544 O GLY B 213 49.240 20.660 129.302 1.00 21.72 B O +ATOM 1545 H GLY B 213 51.151 22.344 131.619 1.00 20.56 B H +ATOM 1546 HA3 GLY B 213 51.323 23.052 128.911 1.00 20.23 B H +ATOM 1547 HA2 GLY B 213 50.046 23.502 130.025 1.00 20.23 B H +ATOM 1548 N LYS B 214 49.184 22.234 127.667 1.00 20.99 B N +ATOM 1549 CA LYS B 214 48.309 21.543 126.715 1.00 21.58 B C +ATOM 1550 C LYS B 214 48.874 20.192 126.241 1.00 22.13 B C +ATOM 1551 O LYS B 214 50.087 19.978 126.286 1.00 23.20 B O +ATOM 1552 CB LYS B 214 48.042 22.473 125.514 1.00 22.10 B C +ATOM 1553 CG LYS B 214 47.162 23.681 125.879 1.00 24.12 B C +ATOM 1554 CD LYS B 214 46.816 24.595 124.693 1.00 27.19 B C +ATOM 1555 CE LYS B 214 48.041 25.244 124.025 1.00 30.98 B C +ATOM 1556 NZ LYS B 214 47.643 26.333 123.118 1.00 36.83 B N1+ +ATOM 1557 H LYS B 214 49.502 23.148 127.376 1.00 20.99 B H +ATOM 1558 HA LYS B 214 47.362 21.353 127.224 1.00 21.58 B H +ATOM 1559 HB3 LYS B 214 47.528 21.918 124.727 1.00 22.10 B H +ATOM 1560 HB2 LYS B 214 48.989 22.801 125.084 1.00 22.10 B H +ATOM 1561 HG3 LYS B 214 47.642 24.275 126.657 1.00 24.12 B H +ATOM 1562 HG2 LYS B 214 46.231 23.318 126.313 1.00 24.12 B H +ATOM 1563 HD3 LYS B 214 46.130 25.365 125.051 1.00 27.19 B H +ATOM 1564 HD2 LYS B 214 46.256 24.022 123.952 1.00 27.19 B H +ATOM 1565 HE3 LYS B 214 48.613 24.505 123.463 1.00 30.98 B H +ATOM 1566 HE2 LYS B 214 48.711 25.660 124.777 1.00 30.98 B H +ATOM 1567 HZ1 LYS B 214 47.147 27.036 123.650 1.00 36.83 B H +ATOM 1568 HZ2 LYS B 214 48.461 26.756 122.702 1.00 36.83 B H +ATOM 1569 HZ3 LYS B 214 47.040 25.975 122.392 1.00 36.83 B H +ATOM 1570 N GLY B 215 47.962 19.318 125.791 1.00 18.79 B N +ATOM 1571 CA GLY B 215 48.267 17.964 125.344 1.00 17.78 B C +ATOM 1572 C GLY B 215 47.907 16.946 126.432 1.00 18.87 B C +ATOM 1573 O GLY B 215 47.439 17.298 127.517 1.00 19.58 B O +ATOM 1574 H GLY B 215 46.987 19.583 125.780 1.00 18.79 B H +ATOM 1575 HA3 GLY B 215 49.317 17.853 125.071 1.00 17.78 B H +ATOM 1576 HA2 GLY B 215 47.677 17.755 124.451 1.00 17.78 B H +ATOM 1577 N GLN B 391 48.130 15.664 126.104 1.00 19.71 B N +ATOM 1578 CA GLN B 391 47.771 14.487 126.898 1.00 24.27 B C +ATOM 1579 C GLN B 391 48.530 14.404 128.244 1.00 22.67 B C +ATOM 1580 O GLN B 391 49.570 15.043 128.419 1.00 19.97 B O +ATOM 1581 CB GLN B 391 47.890 13.233 125.981 1.00 26.88 B C +ATOM 1582 CG GLN B 391 49.082 12.266 126.151 1.00 36.19 B C +ATOM 1583 CD GLN B 391 50.476 12.886 126.024 1.00 42.59 B C +ATOM 1584 OE1 GLN B 391 50.656 13.986 125.510 1.00 51.17 B O +ATOM 1585 NE2 GLN B 391 51.483 12.162 126.504 1.00 50.82 B N +ATOM 1586 H GLN B 391 48.540 15.464 125.199 1.00 19.71 B H +ATOM 1587 HA GLN B 391 46.715 14.603 127.140 1.00 24.27 B H +ATOM 1588 HB3 GLN B 391 47.842 13.537 124.933 1.00 26.88 B H +ATOM 1589 HB2 GLN B 391 46.985 12.641 126.123 1.00 26.88 B H +ATOM 1590 HG3 GLN B 391 49.005 11.474 125.405 1.00 36.19 B H +ATOM 1591 HG2 GLN B 391 48.998 11.770 127.117 1.00 36.19 B H +ATOM 1592 HE22 GLN B 391 52.431 12.504 126.440 1.00 50.82 B H +ATOM 1593 HE21 GLN B 391 51.309 11.259 126.921 1.00 50.82 B H +ATOM 1594 N GLY B 392 47.972 13.623 129.181 1.00 22.31 B N +ATOM 1595 CA GLY B 392 48.470 13.502 130.550 1.00 20.72 B C +ATOM 1596 C GLY B 392 48.002 14.689 131.411 1.00 19.93 B C +ATOM 1597 O GLY B 392 47.461 15.678 130.913 1.00 20.51 B O +ATOM 1598 H GLY B 392 47.112 13.133 128.965 1.00 22.31 B H +ATOM 1599 HA3 GLY B 392 49.559 13.443 130.562 1.00 20.72 B H +ATOM 1600 HA2 GLY B 392 48.093 12.572 130.979 1.00 20.72 B H +ATOM 1601 N TYR B 393 48.223 14.569 132.727 1.00 20.46 B N +ATOM 1602 CA TYR B 393 47.798 15.537 133.738 1.00 18.29 B C +ATOM 1603 C TYR B 393 48.915 16.547 134.027 1.00 17.76 B C +ATOM 1604 O TYR B 393 50.084 16.166 134.092 1.00 22.05 B O +ATOM 1605 CB TYR B 393 47.378 14.771 135.008 1.00 20.08 B C +ATOM 1606 CG TYR B 393 46.187 13.859 134.768 1.00 16.50 B C +ATOM 1607 CD1 TYR B 393 44.893 14.410 134.679 1.00 17.97 B C +ATOM 1608 CD2 TYR B 393 46.368 12.474 134.572 1.00 18.06 B C +ATOM 1609 CE1 TYR B 393 43.787 13.593 134.373 1.00 16.85 B C +ATOM 1610 CE2 TYR B 393 45.261 11.655 134.277 1.00 17.10 B C +ATOM 1611 CZ TYR B 393 43.972 12.211 134.173 1.00 18.56 B C +ATOM 1612 OH TYR B 393 42.907 11.406 133.891 1.00 18.94 B O +ATOM 1613 H TYR B 393 48.714 13.755 133.074 1.00 20.46 B H +ATOM 1614 HA TYR B 393 46.926 16.085 133.374 1.00 18.29 B H +ATOM 1615 HB3 TYR B 393 47.111 15.474 135.799 1.00 20.08 B H +ATOM 1616 HB2 TYR B 393 48.213 14.184 135.395 1.00 20.08 B H +ATOM 1617 HD1 TYR B 393 44.753 15.467 134.838 1.00 17.97 B H +ATOM 1618 HD2 TYR B 393 47.355 12.039 134.628 1.00 18.06 B H +ATOM 1619 HE1 TYR B 393 42.800 14.026 134.303 1.00 16.85 B H +ATOM 1620 HE2 TYR B 393 45.399 10.597 134.127 1.00 17.10 B H +ATOM 1621 HH TYR B 393 43.161 10.483 133.768 1.00 18.94 B H +ATOM 1622 N SER B 394 48.522 17.819 134.207 1.00 17.69 B N +ATOM 1623 CA SER B 394 49.419 18.914 134.563 1.00 18.43 B C +ATOM 1624 C SER B 394 49.858 18.792 136.031 1.00 19.32 B C +ATOM 1625 O SER B 394 49.021 18.950 136.920 1.00 23.73 B O +ATOM 1626 CB SER B 394 48.725 20.259 134.268 1.00 15.87 B C +ATOM 1627 OG SER B 394 49.543 21.355 134.633 1.00 17.63 B O +ATOM 1628 H SER B 394 47.539 18.052 134.149 1.00 17.69 B H +ATOM 1629 HA SER B 394 50.295 18.857 133.919 1.00 18.43 B H +ATOM 1630 HB3 SER B 394 47.777 20.332 134.801 1.00 15.87 B H +ATOM 1631 HB2 SER B 394 48.493 20.339 133.205 1.00 15.87 B H +ATOM 1632 HG SER B 394 50.281 21.397 134.021 1.00 17.63 B H +ATOM 1633 N LEU B 395 51.160 18.537 136.251 1.00 18.56 B N +ATOM 1634 CA LEU B 395 51.763 18.438 137.584 1.00 17.72 B C +ATOM 1635 C LEU B 395 51.664 19.752 138.381 1.00 18.62 B C +ATOM 1636 O LEU B 395 51.410 19.686 139.578 1.00 19.25 B O +ATOM 1637 CB LEU B 395 53.218 17.921 137.467 1.00 16.48 B C +ATOM 1638 CG LEU B 395 53.970 17.722 138.810 1.00 15.25 B C +ATOM 1639 CD1 LEU B 395 53.248 16.743 139.762 1.00 13.74 B C +ATOM 1640 CD2 LEU B 395 55.438 17.316 138.570 1.00 10.40 B C +ATOM 1641 H LEU B 395 51.783 18.404 135.465 1.00 18.56 B H +ATOM 1642 HA LEU B 395 51.181 17.692 138.128 1.00 17.72 B H +ATOM 1643 HB3 LEU B 395 53.785 18.614 136.844 1.00 16.48 B H +ATOM 1644 HB2 LEU B 395 53.213 16.974 136.926 1.00 16.48 B H +ATOM 1645 HG LEU B 395 54.018 18.687 139.315 1.00 15.25 B H +ATOM 1646 HD11 LEU B 395 53.937 16.071 140.271 1.00 13.74 B H +ATOM 1647 HD12 LEU B 395 52.709 17.287 140.538 1.00 13.74 B H +ATOM 1648 HD13 LEU B 395 52.524 16.120 139.239 1.00 13.74 B H +ATOM 1649 HD21 LEU B 395 56.107 17.873 139.227 1.00 10.40 B H +ATOM 1650 HD22 LEU B 395 55.608 16.254 138.749 1.00 10.40 B H +ATOM 1651 HD23 LEU B 395 55.753 17.518 137.547 1.00 10.40 B H +ATOM 1652 N PHE B 396 51.812 20.903 137.703 1.00 16.65 B N +ATOM 1653 CA PHE B 396 51.659 22.244 138.275 1.00 17.42 B C +ATOM 1654 C PHE B 396 50.251 22.554 138.822 1.00 20.69 B C +ATOM 1655 O PHE B 396 50.149 23.079 139.931 1.00 20.46 B O +ATOM 1656 CB PHE B 396 52.196 23.294 137.273 1.00 16.61 B C +ATOM 1657 CG PHE B 396 51.762 24.739 137.469 1.00 17.86 B C +ATOM 1658 CD1 PHE B 396 52.266 25.497 138.546 1.00 17.66 B C +ATOM 1659 CD2 PHE B 396 50.756 25.294 136.649 1.00 19.99 B C +ATOM 1660 CE1 PHE B 396 51.804 26.790 138.756 1.00 17.56 B C +ATOM 1661 CE2 PHE B 396 50.316 26.592 136.872 1.00 20.09 B C +ATOM 1662 CZ PHE B 396 50.842 27.337 137.919 1.00 19.48 B C +ATOM 1663 H PHE B 396 52.005 20.864 136.713 1.00 16.65 B H +ATOM 1664 HA PHE B 396 52.321 22.287 139.143 1.00 17.42 B H +ATOM 1665 HB3 PHE B 396 51.928 23.003 136.257 1.00 16.61 B H +ATOM 1666 HB2 PHE B 396 53.286 23.275 137.311 1.00 16.61 B H +ATOM 1667 HD1 PHE B 396 53.006 25.078 139.212 1.00 17.66 B H +ATOM 1668 HD2 PHE B 396 50.325 24.715 135.846 1.00 19.99 B H +ATOM 1669 HE1 PHE B 396 52.186 27.375 139.578 1.00 17.56 B H +ATOM 1670 HE2 PHE B 396 49.553 27.017 136.237 1.00 20.09 B H +ATOM 1671 HZ PHE B 396 50.490 28.343 138.095 1.00 19.48 B H +ATOM 1672 N LEU B 397 49.202 22.217 138.049 1.00 20.63 B N +ATOM 1673 CA LEU B 397 47.803 22.458 138.422 1.00 19.67 B C +ATOM 1674 C LEU B 397 47.317 21.525 139.542 1.00 18.44 B C +ATOM 1675 O LEU B 397 46.625 21.997 140.445 1.00 19.34 B O +ATOM 1676 CB LEU B 397 46.889 22.334 137.183 1.00 19.64 B C +ATOM 1677 CG LEU B 397 47.066 23.462 136.142 1.00 18.58 B C +ATOM 1678 CD1 LEU B 397 46.287 23.153 134.848 1.00 15.91 B C +ATOM 1679 CD2 LEU B 397 46.700 24.848 136.713 1.00 18.23 B C +ATOM 1680 H LEU B 397 49.358 21.777 137.153 1.00 20.63 B H +ATOM 1681 HA LEU B 397 47.732 23.475 138.811 1.00 19.67 B H +ATOM 1682 HB3 LEU B 397 45.843 22.321 137.496 1.00 19.64 B H +ATOM 1683 HB2 LEU B 397 47.066 21.364 136.718 1.00 19.64 B H +ATOM 1684 HG LEU B 397 48.120 23.492 135.867 1.00 18.58 B H +ATOM 1685 HD11 LEU B 397 46.931 23.279 133.978 1.00 15.91 B H +ATOM 1686 HD12 LEU B 397 45.913 22.129 134.828 1.00 15.91 B H +ATOM 1687 HD13 LEU B 397 45.425 23.805 134.712 1.00 15.91 B H +ATOM 1688 HD21 LEU B 397 46.135 25.460 136.009 1.00 18.23 B H +ATOM 1689 HD22 LEU B 397 46.100 24.766 137.620 1.00 18.23 B H +ATOM 1690 HD23 LEU B 397 47.599 25.407 136.969 1.00 18.23 B H +ATOM 1691 N VAL B 398 47.705 20.237 139.485 1.00 17.99 B N +ATOM 1692 CA VAL B 398 47.389 19.254 140.524 1.00 19.04 B C +ATOM 1693 C VAL B 398 48.168 19.526 141.827 1.00 20.64 B C +ATOM 1694 O VAL B 398 47.577 19.400 142.896 1.00 21.46 B O +ATOM 1695 CB VAL B 398 47.630 17.788 140.056 1.00 19.35 B C +ATOM 1696 CG1 VAL B 398 47.463 16.731 141.173 1.00 15.55 B C +ATOM 1697 CG2 VAL B 398 46.711 17.427 138.874 1.00 19.62 B C +ATOM 1698 H VAL B 398 48.267 19.911 138.709 1.00 17.99 B H +ATOM 1699 HA VAL B 398 46.326 19.354 140.757 1.00 19.04 B H +ATOM 1700 HB VAL B 398 48.655 17.708 139.691 1.00 19.35 B H +ATOM 1701 HG11 VAL B 398 47.382 15.725 140.768 1.00 15.55 B H +ATOM 1702 HG12 VAL B 398 48.307 16.727 141.858 1.00 15.55 B H +ATOM 1703 HG13 VAL B 398 46.567 16.910 141.765 1.00 15.55 B H +ATOM 1704 HG21 VAL B 398 46.868 16.401 138.542 1.00 19.62 B H +ATOM 1705 HG22 VAL B 398 45.661 17.527 139.140 1.00 19.62 B H +ATOM 1706 HG23 VAL B 398 46.885 18.071 138.015 1.00 19.62 B H +ATOM 1707 N ALA B 399 49.441 19.953 141.722 1.00 18.80 B N +ATOM 1708 CA ALA B 399 50.263 20.363 142.863 1.00 21.04 B C +ATOM 1709 C ALA B 399 49.718 21.587 143.600 1.00 21.74 B C +ATOM 1710 O ALA B 399 49.734 21.577 144.825 1.00 22.28 B O +ATOM 1711 CB ALA B 399 51.712 20.617 142.435 1.00 17.73 B C +ATOM 1712 H ALA B 399 49.876 20.029 140.812 1.00 18.80 B H +ATOM 1713 HA ALA B 399 50.261 19.541 143.577 1.00 21.04 B H +ATOM 1714 HB1 ALA B 399 52.306 20.963 143.281 1.00 17.73 B H +ATOM 1715 HB2 ALA B 399 52.176 19.703 142.065 1.00 17.73 B H +ATOM 1716 HB3 ALA B 399 51.779 21.376 141.655 1.00 17.73 B H +ATOM 1717 N ALA B 400 49.205 22.584 142.860 1.00 21.01 B N +ATOM 1718 CA ALA B 400 48.555 23.764 143.428 1.00 20.55 B C +ATOM 1719 C ALA B 400 47.281 23.422 144.224 1.00 22.57 B C +ATOM 1720 O ALA B 400 47.072 24.015 145.281 1.00 23.97 B O +ATOM 1721 CB ALA B 400 48.272 24.778 142.312 1.00 19.74 B C +ATOM 1722 H ALA B 400 49.235 22.529 141.850 1.00 21.01 B H +ATOM 1723 HA ALA B 400 49.262 24.225 144.122 1.00 20.55 B H +ATOM 1724 HB1 ALA B 400 47.852 25.695 142.722 1.00 19.74 B H +ATOM 1725 HB2 ALA B 400 49.189 25.048 141.787 1.00 19.74 B H +ATOM 1726 HB3 ALA B 400 47.571 24.384 141.576 1.00 19.74 B H +ATOM 1727 N HIS B 401 46.495 22.441 143.740 1.00 22.90 B N +ATOM 1728 CA HIS B 401 45.333 21.878 144.435 1.00 23.48 B C +ATOM 1729 C HIS B 401 45.721 21.127 145.727 1.00 24.30 B C +ATOM 1730 O HIS B 401 45.056 21.315 146.746 1.00 24.53 B O +ATOM 1731 CB HIS B 401 44.542 20.977 143.461 1.00 22.18 B C +ATOM 1732 CG HIS B 401 43.258 20.392 144.006 1.00 23.80 B C +ATOM 1733 ND1 HIS B 401 42.012 20.860 143.640 1.00 23.81 B N +ATOM 1734 CD2 HIS B 401 43.012 19.344 144.866 1.00 21.37 B C +ATOM 1735 CE1 HIS B 401 41.101 20.133 144.287 1.00 24.18 B C +ATOM 1736 NE2 HIS B 401 41.634 19.199 145.058 1.00 21.29 B N +ATOM 1737 H HIS B 401 46.736 22.008 142.859 1.00 22.90 B H +ATOM 1738 HA HIS B 401 44.687 22.712 144.717 1.00 23.48 B H +ATOM 1739 HB3 HIS B 401 45.160 20.146 143.125 1.00 22.18 B H +ATOM 1740 HB2 HIS B 401 44.299 21.546 142.562 1.00 22.18 B H +ATOM 1741 HD1 HIS B 401 41.817 21.628 143.007 1.00 23.81 B H +ATOM 1742 HD2 HIS B 401 43.716 18.702 145.374 1.00 21.37 B H +ATOM 1743 HE1 HIS B 401 40.038 20.289 144.202 1.00 24.18 B H +ATOM 1744 N GLU B 402 46.793 20.313 145.668 1.00 23.82 B N +ATOM 1745 CA GLU B 402 47.333 19.580 146.819 1.00 22.77 B C +ATOM 1746 C GLU B 402 47.955 20.497 147.884 1.00 22.14 B C +ATOM 1747 O GLU B 402 47.835 20.193 149.070 1.00 24.45 B O +ATOM 1748 CB GLU B 402 48.370 18.513 146.382 1.00 22.35 B C +ATOM 1749 CG GLU B 402 47.910 17.346 145.474 1.00 21.55 B C +ATOM 1750 CD GLU B 402 46.425 16.997 145.548 1.00 21.21 B C +ATOM 1751 OE1 GLU B 402 45.653 17.066 144.593 1.00 23.03 B O +ATOM 1752 OE2 GLU B 402 46.053 16.607 146.798 1.00 26.51 B O +ATOM 1753 H GLU B 402 47.281 20.192 144.789 1.00 23.82 B H +ATOM 1754 HA GLU B 402 46.500 19.088 147.322 1.00 22.77 B H +ATOM 1755 HB3 GLU B 402 48.815 18.075 147.275 1.00 22.35 B H +ATOM 1756 HB2 GLU B 402 49.196 19.018 145.879 1.00 22.35 B H +ATOM 1757 HG3 GLU B 402 48.491 16.456 145.717 1.00 21.55 B H +ATOM 1758 HG2 GLU B 402 48.153 17.567 144.438 1.00 21.55 B H +ATOM 1759 HE2 GLU B 402 45.114 16.412 146.863 1.00 26.51 B H +ATOM 1760 N PHE B 403 48.580 21.604 147.453 1.00 22.87 B N +ATOM 1761 CA PHE B 403 49.159 22.612 148.340 1.00 23.58 B C +ATOM 1762 C PHE B 403 48.103 23.532 148.969 1.00 25.40 B C +ATOM 1763 O PHE B 403 48.391 24.124 150.005 1.00 27.88 B O +ATOM 1764 CB PHE B 403 50.266 23.408 147.618 1.00 20.83 B C +ATOM 1765 CG PHE B 403 51.445 22.602 147.084 1.00 22.36 B C +ATOM 1766 CD1 PHE B 403 51.837 21.367 147.656 1.00 20.84 B C +ATOM 1767 CD2 PHE B 403 52.249 23.159 146.068 1.00 18.11 B C +ATOM 1768 CE1 PHE B 403 52.933 20.682 147.151 1.00 21.54 B C +ATOM 1769 CE2 PHE B 403 53.349 22.462 145.588 1.00 18.09 B C +ATOM 1770 CZ PHE B 403 53.680 21.222 146.116 1.00 19.86 B C +ATOM 1771 H PHE B 403 48.684 21.768 146.459 1.00 22.87 B H +ATOM 1772 HA PHE B 403 49.625 22.092 149.173 1.00 23.58 B H +ATOM 1773 HB3 PHE B 403 50.666 24.170 148.288 1.00 20.83 B H +ATOM 1774 HB2 PHE B 403 49.825 23.947 146.778 1.00 20.83 B H +ATOM 1775 HD1 PHE B 403 51.288 20.922 148.471 1.00 20.84 B H +ATOM 1776 HD2 PHE B 403 52.004 24.125 145.651 1.00 18.11 B H +ATOM 1777 HE1 PHE B 403 53.208 19.728 147.575 1.00 21.54 B H +ATOM 1778 HE2 PHE B 403 53.955 22.886 144.806 1.00 18.09 B H +ATOM 1779 HZ PHE B 403 54.536 20.688 145.732 1.00 19.86 B H +ATOM 1780 N GLY B 404 46.890 23.592 148.391 1.00 25.83 B N +ATOM 1781 CA GLY B 404 45.736 24.249 149.000 1.00 25.16 B C +ATOM 1782 C GLY B 404 45.234 23.423 150.195 1.00 25.03 B C +ATOM 1783 O GLY B 404 45.007 23.991 151.261 1.00 24.69 B O +ATOM 1784 H GLY B 404 46.728 23.092 147.528 1.00 25.83 B H +ATOM 1785 HA3 GLY B 404 44.944 24.343 148.260 1.00 25.16 B H +ATOM 1786 HA2 GLY B 404 46.000 25.259 149.318 1.00 25.16 B H +ATOM 1787 N HIS B 405 45.129 22.089 150.041 1.00 23.03 B N +ATOM 1788 CA HIS B 405 44.826 21.144 151.124 1.00 23.37 B C +ATOM 1789 C HIS B 405 45.891 21.105 152.229 1.00 26.13 B C +ATOM 1790 O HIS B 405 45.523 21.021 153.399 1.00 27.66 B O +ATOM 1791 CB HIS B 405 44.633 19.725 150.563 1.00 21.33 B C +ATOM 1792 CG HIS B 405 43.360 19.470 149.806 1.00 26.14 B C +ATOM 1793 ND1 HIS B 405 42.106 19.805 150.289 1.00 25.46 B N +ATOM 1794 CD2 HIS B 405 43.142 18.874 148.588 1.00 23.33 B C +ATOM 1795 CE1 HIS B 405 41.213 19.381 149.393 1.00 26.71 B C +ATOM 1796 NE2 HIS B 405 41.769 18.772 148.350 1.00 25.66 B N +ATOM 1797 H HIS B 405 45.327 21.680 149.138 1.00 23.03 B H +ATOM 1798 HA HIS B 405 43.900 21.462 151.603 1.00 23.37 B H +ATOM 1799 HB3 HIS B 405 44.673 18.986 151.365 1.00 21.33 B H +ATOM 1800 HB2 HIS B 405 45.460 19.492 149.897 1.00 21.33 B H +ATOM 1801 HD1 HIS B 405 41.904 20.292 151.153 1.00 25.46 B H +ATOM 1802 HD2 HIS B 405 43.868 18.483 147.891 1.00 23.33 B H +ATOM 1803 HE1 HIS B 405 40.147 19.508 149.515 1.00 26.71 B H +ATOM 1804 N ALA B 406 47.176 21.206 151.845 1.00 24.97 B N +ATOM 1805 CA ALA B 406 48.319 21.292 152.758 1.00 25.23 B C +ATOM 1806 C ALA B 406 48.366 22.588 153.587 1.00 24.96 B C +ATOM 1807 O ALA B 406 49.114 22.625 154.560 1.00 24.90 B O +ATOM 1808 CB ALA B 406 49.617 21.146 151.955 1.00 25.56 B C +ATOM 1809 H ALA B 406 47.395 21.245 150.859 1.00 24.97 B H +ATOM 1810 HA ALA B 406 48.254 20.456 153.455 1.00 25.23 B H +ATOM 1811 HB1 ALA B 406 50.478 21.088 152.618 1.00 25.56 B H +ATOM 1812 HB2 ALA B 406 49.614 20.247 151.338 1.00 25.56 B H +ATOM 1813 HB3 ALA B 406 49.781 22.009 151.314 1.00 25.56 B H +ATOM 1814 N LEU B 407 47.576 23.604 153.195 1.00 25.75 B N +ATOM 1815 CA LEU B 407 47.385 24.875 153.896 1.00 26.02 B C +ATOM 1816 C LEU B 407 46.030 24.944 154.630 1.00 27.45 B C +ATOM 1817 O LEU B 407 45.807 25.916 155.351 1.00 28.27 B O +ATOM 1818 CB LEU B 407 47.516 26.028 152.877 1.00 24.31 B C +ATOM 1819 CG LEU B 407 48.951 26.246 152.350 1.00 27.21 B C +ATOM 1820 CD1 LEU B 407 48.962 27.214 151.149 1.00 24.05 B C +ATOM 1821 CD2 LEU B 407 49.923 26.670 153.465 1.00 25.82 B C +ATOM 1822 H LEU B 407 47.020 23.486 152.359 1.00 25.75 B H +ATOM 1823 HA LEU B 407 48.147 24.990 154.668 1.00 26.02 B H +ATOM 1824 HB3 LEU B 407 47.178 26.962 153.325 1.00 24.31 B H +ATOM 1825 HB2 LEU B 407 46.839 25.839 152.042 1.00 24.31 B H +ATOM 1826 HG LEU B 407 49.319 25.291 151.981 1.00 27.21 B H +ATOM 1827 HD11 LEU B 407 49.605 26.837 150.354 1.00 24.05 B H +ATOM 1828 HD12 LEU B 407 47.969 27.347 150.719 1.00 24.05 B H +ATOM 1829 HD13 LEU B 407 49.318 28.206 151.421 1.00 24.05 B H +ATOM 1830 HD21 LEU B 407 50.595 27.468 153.157 1.00 25.82 B H +ATOM 1831 HD22 LEU B 407 49.398 27.018 154.355 1.00 25.82 B H +ATOM 1832 HD23 LEU B 407 50.544 25.825 153.760 1.00 25.82 B H +ATOM 1833 N GLY B 408 45.174 23.916 154.489 1.00 27.89 B N +ATOM 1834 CA GLY B 408 43.948 23.764 155.271 1.00 30.11 B C +ATOM 1835 C GLY B 408 42.679 24.151 154.501 1.00 31.82 B C +ATOM 1836 O GLY B 408 41.621 24.226 155.126 1.00 34.34 B O +ATOM 1837 H GLY B 408 45.426 23.143 153.888 1.00 27.89 B H +ATOM 1838 HA3 GLY B 408 43.992 24.339 156.196 1.00 30.11 B H +ATOM 1839 HA2 GLY B 408 43.858 22.717 155.560 1.00 30.11 B H +ATOM 1840 N LEU B 409 42.752 24.386 153.177 1.00 33.15 B N +ATOM 1841 CA LEU B 409 41.576 24.619 152.332 1.00 32.57 B C +ATOM 1842 C LEU B 409 40.836 23.302 152.058 1.00 33.31 B C +ATOM 1843 O LEU B 409 41.471 22.303 151.723 1.00 32.51 B O +ATOM 1844 CB LEU B 409 41.979 25.252 150.980 1.00 31.21 B C +ATOM 1845 CG LEU B 409 42.718 26.604 151.052 1.00 32.82 B C +ATOM 1846 CD1 LEU B 409 43.237 27.020 149.664 1.00 31.72 B C +ATOM 1847 CD2 LEU B 409 41.852 27.715 151.661 1.00 33.90 B C +ATOM 1848 H LEU B 409 43.641 24.316 152.699 1.00 33.15 B H +ATOM 1849 HA LEU B 409 40.896 25.293 152.853 1.00 32.57 B H +ATOM 1850 HB3 LEU B 409 41.085 25.383 150.368 1.00 31.21 B H +ATOM 1851 HB2 LEU B 409 42.598 24.544 150.431 1.00 31.21 B H +ATOM 1852 HG LEU B 409 43.589 26.480 151.697 1.00 32.82 B H +ATOM 1853 HD11 LEU B 409 44.327 27.036 149.648 1.00 31.72 B H +ATOM 1854 HD12 LEU B 409 42.919 26.333 148.880 1.00 31.72 B H +ATOM 1855 HD13 LEU B 409 42.894 28.015 149.378 1.00 31.72 B H +ATOM 1856 HD21 LEU B 409 42.454 28.604 151.834 1.00 33.90 B H +ATOM 1857 HD22 LEU B 409 41.032 27.990 150.997 1.00 33.90 B H +ATOM 1858 HD23 LEU B 409 41.422 27.433 152.620 1.00 33.90 B H +ATOM 1859 N ASP B 410 39.501 23.358 152.152 1.00 35.18 B N +ATOM 1860 CA ASP B 410 38.589 22.291 151.732 1.00 35.77 B C +ATOM 1861 C ASP B 410 38.170 22.499 150.264 1.00 34.97 B C +ATOM 1862 O ASP B 410 38.590 23.466 149.624 1.00 31.85 B O +ATOM 1863 CB ASP B 410 37.354 22.180 152.668 1.00 42.82 B C +ATOM 1864 CG ASP B 410 37.659 21.938 154.160 1.00 51.30 B C +ATOM 1865 OD1 ASP B 410 38.720 21.349 154.469 1.00 53.65 B O +ATOM 1866 OD2 ASP B 410 36.739 22.205 154.963 1.00 54.35 B O1- +ATOM 1867 H ASP B 410 39.062 24.220 152.440 1.00 35.18 B H +ATOM 1868 HA ASP B 410 39.115 21.335 151.761 1.00 35.77 B H +ATOM 1869 HB3 ASP B 410 36.709 21.361 152.346 1.00 42.82 B H +ATOM 1870 HB2 ASP B 410 36.766 23.097 152.590 1.00 42.82 B H +ATOM 1871 N HIS B 411 37.359 21.562 149.748 1.00 32.49 B N +ATOM 1872 CA HIS B 411 36.830 21.591 148.386 1.00 33.78 B C +ATOM 1873 C HIS B 411 35.846 22.742 148.133 1.00 35.95 B C +ATOM 1874 O HIS B 411 34.967 22.992 148.959 1.00 38.94 B O +ATOM 1875 CB HIS B 411 36.173 20.237 148.060 1.00 30.30 B C +ATOM 1876 CG HIS B 411 37.148 19.125 147.772 1.00 29.54 B C +ATOM 1877 ND1 HIS B 411 36.894 17.805 148.101 1.00 28.79 B N +ATOM 1878 CD2 HIS B 411 38.382 19.125 147.159 1.00 27.76 B C +ATOM 1879 CE1 HIS B 411 37.944 17.088 147.694 1.00 28.07 B C +ATOM 1880 NE2 HIS B 411 38.891 17.827 147.126 1.00 31.97 B N +ATOM 1881 H HIS B 411 37.044 20.802 150.333 1.00 32.49 B H +ATOM 1882 HA HIS B 411 37.681 21.740 147.724 1.00 33.78 B H +ATOM 1883 HB3 HIS B 411 35.532 20.329 147.183 1.00 30.30 B H +ATOM 1884 HB2 HIS B 411 35.515 19.933 148.877 1.00 30.30 B H +ATOM 1885 HD1 HIS B 411 36.065 17.449 148.557 1.00 28.79 B H +ATOM 1886 HD2 HIS B 411 38.946 19.950 146.750 1.00 27.76 B H +ATOM 1887 HE1 HIS B 411 38.018 16.018 147.821 1.00 28.07 B H +ATOM 1888 N SER B 412 36.003 23.381 146.964 1.00 37.78 B N +ATOM 1889 CA SER B 412 35.110 24.415 146.450 1.00 38.30 B C +ATOM 1890 C SER B 412 33.919 23.781 145.710 1.00 39.44 B C +ATOM 1891 O SER B 412 34.075 22.738 145.073 1.00 38.62 B O +ATOM 1892 CB SER B 412 35.922 25.333 145.514 1.00 37.72 B C +ATOM 1893 OG SER B 412 35.133 26.391 145.013 1.00 34.94 B O +ATOM 1894 H SER B 412 36.746 23.091 146.343 1.00 37.78 B H +ATOM 1895 HA SER B 412 34.737 25.013 147.284 1.00 38.30 B H +ATOM 1896 HB3 SER B 412 36.325 24.774 144.669 1.00 37.72 B H +ATOM 1897 HB2 SER B 412 36.769 25.766 146.047 1.00 37.72 B H +ATOM 1898 HG SER B 412 35.322 27.183 145.534 1.00 34.94 B H +ATOM 1899 N SER B 413 32.763 24.459 145.778 1.00 41.65 B N +ATOM 1900 CA SER B 413 31.562 24.140 145.004 1.00 43.35 B C +ATOM 1901 C SER B 413 31.533 24.826 143.620 1.00 43.39 B C +ATOM 1902 O SER B 413 30.717 24.432 142.789 1.00 43.76 B O +ATOM 1903 CB SER B 413 30.326 24.493 145.858 1.00 43.75 B C +ATOM 1904 OG SER B 413 30.174 25.889 146.040 1.00 45.44 B O +ATOM 1905 H SER B 413 32.715 25.305 146.328 1.00 41.65 B H +ATOM 1906 HA SER B 413 31.536 23.063 144.826 1.00 43.35 B H +ATOM 1907 HB3 SER B 413 30.385 24.012 146.835 1.00 43.75 B H +ATOM 1908 HB2 SER B 413 29.422 24.112 145.381 1.00 43.75 B H +ATOM 1909 HG SER B 413 29.902 26.281 145.206 1.00 45.44 B H +ATOM 1910 N VAL B 414 32.403 25.828 143.401 1.00 43.36 B N +ATOM 1911 CA VAL B 414 32.519 26.612 142.170 1.00 45.01 B C +ATOM 1912 C VAL B 414 33.311 25.794 141.114 1.00 49.61 B C +ATOM 1913 O VAL B 414 34.476 25.500 141.380 1.00 50.35 B O +ATOM 1914 CB VAL B 414 33.298 27.929 142.465 1.00 43.92 B C +ATOM 1915 CG1 VAL B 414 33.602 28.773 141.212 1.00 42.90 B C +ATOM 1916 CG2 VAL B 414 32.572 28.803 143.505 1.00 42.04 B C +ATOM 1917 H VAL B 414 33.064 26.069 144.128 1.00 43.36 B H +ATOM 1918 HA VAL B 414 31.522 26.892 141.835 1.00 45.01 B H +ATOM 1919 HB VAL B 414 34.259 27.670 142.906 1.00 43.92 B H +ATOM 1920 HG11 VAL B 414 34.086 29.711 141.482 1.00 42.90 B H +ATOM 1921 HG12 VAL B 414 34.273 28.266 140.522 1.00 42.90 B H +ATOM 1922 HG13 VAL B 414 32.685 29.016 140.675 1.00 42.90 B H +ATOM 1923 HG21 VAL B 414 33.122 29.725 143.697 1.00 42.04 B H +ATOM 1924 HG22 VAL B 414 31.573 29.078 143.165 1.00 42.04 B H +ATOM 1925 HG23 VAL B 414 32.471 28.292 144.463 1.00 42.04 B H +ATOM 1926 N PRO B 415 32.693 25.415 139.965 1.00 53.34 B N +ATOM 1927 CA PRO B 415 33.344 24.584 138.922 1.00 54.30 B C +ATOM 1928 C PRO B 415 34.700 25.067 138.373 1.00 52.96 B C +ATOM 1929 O PRO B 415 35.573 24.235 138.127 1.00 54.37 B O +ATOM 1930 CB PRO B 415 32.292 24.485 137.807 1.00 56.11 B C +ATOM 1931 CG PRO B 415 30.969 24.657 138.525 1.00 55.46 B C +ATOM 1932 CD PRO B 415 31.297 25.676 139.607 1.00 54.43 B C +ATOM 1933 HA PRO B 415 33.482 23.591 139.342 1.00 54.30 B H +ATOM 1934 HB3 PRO B 415 32.346 23.543 137.261 1.00 56.11 B H +ATOM 1935 HB2 PRO B 415 32.416 25.293 137.083 1.00 56.11 B H +ATOM 1936 HG3 PRO B 415 30.687 23.711 138.991 1.00 55.46 B H +ATOM 1937 HG2 PRO B 415 30.155 24.967 137.870 1.00 55.46 B H +ATOM 1938 HD2 PRO B 415 31.221 26.693 139.218 1.00 54.43 B H +ATOM 1939 HD3 PRO B 415 30.594 25.567 140.431 1.00 54.43 B H +ATOM 1940 N GLU B 416 34.844 26.389 138.195 1.00 50.37 B N +ATOM 1941 CA GLU B 416 36.031 27.046 137.643 1.00 48.82 B C +ATOM 1942 C GLU B 416 37.111 27.389 138.692 1.00 45.83 B C +ATOM 1943 O GLU B 416 38.161 27.904 138.304 1.00 45.77 B O +ATOM 1944 CB GLU B 416 35.608 28.274 136.798 1.00 53.26 B C +ATOM 1945 CG GLU B 416 34.745 29.344 137.519 1.00 58.55 B C +ATOM 1946 CD GLU B 416 33.214 29.171 137.474 1.00 61.82 B C +ATOM 1947 OE1 GLU B 416 32.547 30.051 138.061 1.00 62.91 B O +ATOM 1948 OE2 GLU B 416 32.717 28.191 136.875 1.00 63.31 B O1- +ATOM 1949 H GLU B 416 34.058 26.998 138.379 1.00 50.37 B H +ATOM 1950 HA GLU B 416 36.511 26.350 136.952 1.00 48.82 B H +ATOM 1951 HB3 GLU B 416 35.125 27.934 135.881 1.00 53.26 B H +ATOM 1952 HB2 GLU B 416 36.509 28.774 136.442 1.00 53.26 B H +ATOM 1953 HG3 GLU B 416 34.963 30.312 137.067 1.00 58.55 B H +ATOM 1954 HG2 GLU B 416 35.057 29.429 138.559 1.00 58.55 B H +ATOM 1955 N ALA B 417 36.869 27.085 139.979 1.00 40.82 B N +ATOM 1956 CA ALA B 417 37.858 27.204 141.050 1.00 37.74 B C +ATOM 1957 C ALA B 417 38.876 26.055 141.015 1.00 36.14 B C +ATOM 1958 O ALA B 417 38.531 24.944 140.611 1.00 34.99 B O +ATOM 1959 CB ALA B 417 37.131 27.260 142.398 1.00 33.86 B C +ATOM 1960 H ALA B 417 35.993 26.647 140.231 1.00 40.82 B H +ATOM 1961 HA ALA B 417 38.405 28.134 140.922 1.00 37.74 B H +ATOM 1962 HB1 ALA B 417 37.829 27.382 143.223 1.00 33.86 B H +ATOM 1963 HB2 ALA B 417 36.448 28.109 142.434 1.00 33.86 B H +ATOM 1964 HB3 ALA B 417 36.564 26.350 142.589 1.00 33.86 B H +ATOM 1965 N LEU B 418 40.110 26.346 141.464 1.00 34.03 B N +ATOM 1966 CA LEU B 418 41.213 25.388 141.581 1.00 30.71 B C +ATOM 1967 C LEU B 418 40.882 24.245 142.550 1.00 30.37 B C +ATOM 1968 O LEU B 418 41.134 23.093 142.208 1.00 31.03 B O +ATOM 1969 CB LEU B 418 42.498 26.127 142.023 1.00 31.54 B C +ATOM 1970 CG LEU B 418 43.787 25.273 142.094 1.00 30.96 B C +ATOM 1971 CD1 LEU B 418 44.226 24.736 140.715 1.00 28.41 B C +ATOM 1972 CD2 LEU B 418 44.908 26.056 142.799 1.00 29.00 B C +ATOM 1973 H LEU B 418 40.302 27.277 141.815 1.00 34.03 B H +ATOM 1974 HA LEU B 418 41.375 24.960 140.591 1.00 30.71 B H +ATOM 1975 HB3 LEU B 418 42.316 26.549 143.012 1.00 31.54 B H +ATOM 1976 HB2 LEU B 418 42.674 26.979 141.367 1.00 31.54 B H +ATOM 1977 HG LEU B 418 43.593 24.410 142.731 1.00 30.96 B H +ATOM 1978 HD11 LEU B 418 45.287 24.894 140.521 1.00 28.41 B H +ATOM 1979 HD12 LEU B 418 44.049 23.662 140.647 1.00 28.41 B H +ATOM 1980 HD13 LEU B 418 43.679 25.209 139.899 1.00 28.41 B H +ATOM 1981 HD21 LEU B 418 45.431 25.422 143.511 1.00 29.00 B H +ATOM 1982 HD22 LEU B 418 45.642 26.455 142.100 1.00 29.00 B H +ATOM 1983 HD23 LEU B 418 44.516 26.897 143.370 1.00 29.00 B H +ATOM 1984 N MET B 419 40.301 24.591 143.714 1.00 29.50 B N +ATOM 1985 CA MET B 419 39.908 23.660 144.773 1.00 30.42 B C +ATOM 1986 C MET B 419 38.645 22.828 144.476 1.00 30.21 B C +ATOM 1987 O MET B 419 38.243 22.058 145.346 1.00 30.07 B O +ATOM 1988 CB MET B 419 39.806 24.409 146.121 1.00 31.33 B C +ATOM 1989 CG MET B 419 41.134 25.008 146.621 1.00 31.92 B C +ATOM 1990 SD MET B 419 42.539 23.864 146.770 1.00 33.33 B S +ATOM 1991 CE MET B 419 41.869 22.642 147.929 1.00 27.72 B C +ATOM 1992 H MET B 419 40.126 25.570 143.902 1.00 29.50 B H +ATOM 1993 HA MET B 419 40.704 22.924 144.869 1.00 30.42 B H +ATOM 1994 HB3 MET B 419 39.416 23.751 146.898 1.00 31.33 B H +ATOM 1995 HB2 MET B 419 39.074 25.212 146.032 1.00 31.33 B H +ATOM 1996 HG3 MET B 419 40.971 25.469 147.596 1.00 31.92 B H +ATOM 1997 HG2 MET B 419 41.450 25.814 145.960 1.00 31.92 B H +ATOM 1998 HE1 MET B 419 42.658 21.958 148.239 1.00 27.72 B H +ATOM 1999 HE2 MET B 419 41.467 23.130 148.816 1.00 27.72 B H +ATOM 2000 HE3 MET B 419 41.075 22.061 147.461 1.00 27.72 B H +ATOM 2001 N TYR B 420 38.058 22.933 143.270 1.00 31.40 B N +ATOM 2002 CA TYR B 420 36.962 22.070 142.820 1.00 31.95 B C +ATOM 2003 C TYR B 420 37.439 20.597 142.714 1.00 31.80 B C +ATOM 2004 O TYR B 420 38.506 20.374 142.137 1.00 35.03 B O +ATOM 2005 CB TYR B 420 36.455 22.594 141.462 1.00 36.57 B C +ATOM 2006 CG TYR B 420 35.162 21.944 141.001 1.00 41.51 B C +ATOM 2007 CD1 TYR B 420 33.948 22.274 141.640 1.00 43.15 B C +ATOM 2008 CD2 TYR B 420 35.167 20.996 139.957 1.00 42.71 B C +ATOM 2009 CE1 TYR B 420 32.748 21.650 141.250 1.00 43.91 B C +ATOM 2010 CE2 TYR B 420 33.965 20.375 139.564 1.00 43.77 B C +ATOM 2011 CZ TYR B 420 32.757 20.698 140.213 1.00 44.73 B C +ATOM 2012 OH TYR B 420 31.595 20.091 139.837 1.00 45.83 B O +ATOM 2013 H TYR B 420 38.435 23.573 142.583 1.00 31.40 B H +ATOM 2014 HA TYR B 420 36.168 22.188 143.555 1.00 31.95 B H +ATOM 2015 HB3 TYR B 420 37.221 22.480 140.694 1.00 36.57 B H +ATOM 2016 HB2 TYR B 420 36.269 23.665 141.537 1.00 36.57 B H +ATOM 2017 HD1 TYR B 420 33.936 23.002 142.437 1.00 43.15 B H +ATOM 2018 HD2 TYR B 420 36.090 20.740 139.459 1.00 42.71 B H +ATOM 2019 HE1 TYR B 420 31.824 21.906 141.747 1.00 43.91 B H +ATOM 2020 HE2 TYR B 420 33.973 19.650 138.764 1.00 43.77 B H +ATOM 2021 HH TYR B 420 31.712 19.459 139.123 1.00 45.83 B H +ATOM 2022 N PRO B 421 36.698 19.632 143.313 1.00 31.81 B N +ATOM 2023 CA PRO B 421 37.169 18.242 143.511 1.00 31.76 B C +ATOM 2024 C PRO B 421 37.427 17.388 142.255 1.00 32.82 B C +ATOM 2025 O PRO B 421 37.953 16.286 142.408 1.00 33.44 B O +ATOM 2026 CB PRO B 421 36.081 17.605 144.394 1.00 32.37 B C +ATOM 2027 CG PRO B 421 34.831 18.414 144.115 1.00 31.84 B C +ATOM 2028 CD PRO B 421 35.384 19.818 143.930 1.00 31.47 B C +ATOM 2029 HA PRO B 421 38.108 18.268 144.068 1.00 31.76 B H +ATOM 2030 HB3 PRO B 421 36.354 17.721 145.439 1.00 32.37 B H +ATOM 2031 HB2 PRO B 421 35.927 16.538 144.223 1.00 32.37 B H +ATOM 2032 HG3 PRO B 421 34.082 18.345 144.904 1.00 31.84 B H +ATOM 2033 HG2 PRO B 421 34.376 18.074 143.183 1.00 31.84 B H +ATOM 2034 HD2 PRO B 421 34.700 20.413 143.332 1.00 31.47 B H +ATOM 2035 HD3 PRO B 421 35.516 20.311 144.893 1.00 31.47 B H +ATOM 2036 N MET B 422 37.077 17.894 141.061 1.00 34.03 B N +ATOM 2037 CA MET B 422 37.333 17.249 139.774 1.00 34.21 B C +ATOM 2038 C MET B 422 38.359 18.074 138.988 1.00 30.07 B C +ATOM 2039 O MET B 422 38.297 19.304 139.005 1.00 27.30 B O +ATOM 2040 CB MET B 422 36.018 17.114 138.978 1.00 40.49 B C +ATOM 2041 CG MET B 422 34.847 16.530 139.788 1.00 46.52 B C +ATOM 2042 SD MET B 422 33.391 16.089 138.806 1.00 54.83 B S +ATOM 2043 CE MET B 422 33.960 14.530 138.076 1.00 48.46 B C +ATOM 2044 H MET B 422 36.672 18.817 141.013 1.00 34.03 B H +ATOM 2045 HA MET B 422 37.736 16.248 139.930 1.00 34.21 B H +ATOM 2046 HB3 MET B 422 36.201 16.502 138.095 1.00 40.49 B H +ATOM 2047 HB2 MET B 422 35.718 18.092 138.600 1.00 40.49 B H +ATOM 2048 HG3 MET B 422 34.521 17.255 140.535 1.00 46.52 B H +ATOM 2049 HG2 MET B 422 35.169 15.647 140.340 1.00 46.52 B H +ATOM 2050 HE1 MET B 422 33.179 14.106 137.445 1.00 48.46 B H +ATOM 2051 HE2 MET B 422 34.847 14.688 137.463 1.00 48.46 B H +ATOM 2052 HE3 MET B 422 34.200 13.809 138.856 1.00 48.46 B H +ATOM 2053 N TYR B 423 39.282 17.374 138.309 1.00 30.57 B N +ATOM 2054 CA TYR B 423 40.330 17.969 137.484 1.00 30.47 B C +ATOM 2055 C TYR B 423 39.764 18.611 136.209 1.00 29.81 B C +ATOM 2056 O TYR B 423 38.863 18.057 135.578 1.00 28.16 B O +ATOM 2057 CB TYR B 423 41.405 16.909 137.163 1.00 28.25 B C +ATOM 2058 CG TYR B 423 42.537 17.390 136.262 1.00 28.83 B C +ATOM 2059 CD1 TYR B 423 43.625 18.103 136.808 1.00 26.05 B C +ATOM 2060 CD2 TYR B 423 42.481 17.170 134.869 1.00 29.17 B C +ATOM 2061 CE1 TYR B 423 44.646 18.594 135.971 1.00 26.97 B C +ATOM 2062 CE2 TYR B 423 43.495 17.671 134.030 1.00 28.79 B C +ATOM 2063 CZ TYR B 423 44.583 18.376 134.582 1.00 27.46 B C +ATOM 2064 OH TYR B 423 45.577 18.842 133.772 1.00 29.00 B O +ATOM 2065 H TYR B 423 39.265 16.362 138.345 1.00 30.57 B H +ATOM 2066 HA TYR B 423 40.806 18.752 138.078 1.00 30.47 B H +ATOM 2067 HB3 TYR B 423 40.940 16.039 136.695 1.00 28.25 B H +ATOM 2068 HB2 TYR B 423 41.832 16.553 138.100 1.00 28.25 B H +ATOM 2069 HD1 TYR B 423 43.672 18.286 137.871 1.00 26.05 B H +ATOM 2070 HD2 TYR B 423 41.648 16.633 134.437 1.00 29.17 B H +ATOM 2071 HE1 TYR B 423 45.475 19.141 136.396 1.00 26.97 B H +ATOM 2072 HE2 TYR B 423 43.436 17.502 132.965 1.00 28.79 B H +ATOM 2073 HH TYR B 423 45.449 18.582 132.852 1.00 29.00 B H +ATOM 2074 N ARG B 424 40.369 19.747 135.845 1.00 30.84 B N +ATOM 2075 CA ARG B 424 40.092 20.497 134.633 1.00 30.74 B C +ATOM 2076 C ARG B 424 41.346 21.320 134.323 1.00 31.98 B C +ATOM 2077 O ARG B 424 41.739 22.147 135.148 1.00 30.87 B O +ATOM 2078 CB ARG B 424 38.825 21.359 134.844 1.00 0.00 B C +ATOM 2079 CG ARG B 424 38.486 22.312 133.686 1.00 0.00 B C +ATOM 2080 CD ARG B 424 37.186 23.092 133.942 1.00 0.00 B C +ATOM 2081 NE ARG B 424 36.980 24.158 132.947 1.00 0.00 B N +ATOM 2082 CZ ARG B 424 37.491 25.404 132.977 1.00 0.00 B C +ATOM 2083 NH1 ARG B 424 38.269 25.838 133.982 1.00 0.00 B N +ATOM 2084 NH2 ARG B 424 37.217 26.239 131.966 1.00 0.00 B N1+ +ATOM 2085 H ARG B 424 41.107 20.123 136.424 1.00 30.84 B H +ATOM 2086 HB2 ARG B 424 37.970 20.707 135.028 1.00 0.00 B H +ATOM 2087 HB3 ARG B 424 38.946 21.953 135.752 1.00 0.00 B H +ATOM 2088 HG2 ARG B 424 39.307 22.984 133.430 1.00 0.00 B H +ATOM 2089 HG3 ARG B 424 38.333 21.676 132.814 1.00 0.00 B H +ATOM 2090 HD2 ARG B 424 36.351 22.413 133.768 1.00 0.00 B H +ATOM 2091 HD3 ARG B 424 37.084 23.429 134.975 1.00 0.00 B H +ATOM 2092 HE ARG B 424 36.429 23.892 132.144 1.00 0.00 B H +ATOM 2093 HH12 ARG B 424 38.648 26.774 133.978 1.00 0.00 B H +ATOM 2094 HH11 ARG B 424 38.484 25.222 134.753 1.00 0.00 B H +ATOM 2095 HH22 ARG B 424 37.592 27.176 131.963 1.00 0.00 B H +ATOM 2096 HH21 ARG B 424 36.634 25.939 131.198 1.00 0.00 B H +ATOM 2097 HA ARG B 424 39.919 19.802 133.809 1.00 30.74 B H +ATOM 2098 N PHE B 425 41.941 21.093 133.139 1.00 32.65 B N +ATOM 2099 CA PHE B 425 43.056 21.897 132.637 1.00 32.21 B C +ATOM 2100 C PHE B 425 42.599 23.322 132.276 1.00 32.08 B C +ATOM 2101 O PHE B 425 41.496 23.496 131.755 1.00 35.15 B O +ATOM 2102 CB PHE B 425 43.745 21.176 131.454 1.00 29.42 B C +ATOM 2103 CG PHE B 425 44.887 21.958 130.822 1.00 28.07 B C +ATOM 2104 CD1 PHE B 425 44.653 22.789 129.703 1.00 26.46 B C +ATOM 2105 CD2 PHE B 425 46.134 22.032 131.477 1.00 26.10 B C +ATOM 2106 CE1 PHE B 425 45.651 23.639 129.248 1.00 26.71 B C +ATOM 2107 CE2 PHE B 425 47.116 22.894 131.009 1.00 23.65 B C +ATOM 2108 CZ PHE B 425 46.875 23.696 129.901 1.00 24.65 B C +ATOM 2109 H PHE B 425 41.565 20.399 132.510 1.00 32.65 B H +ATOM 2110 HA PHE B 425 43.791 21.975 133.440 1.00 32.21 B H +ATOM 2111 HB3 PHE B 425 43.014 20.925 130.684 1.00 29.42 B H +ATOM 2112 HB2 PHE B 425 44.148 20.227 131.807 1.00 29.42 B H +ATOM 2113 HD1 PHE B 425 43.689 22.785 129.216 1.00 26.46 B H +ATOM 2114 HD2 PHE B 425 46.318 21.436 132.359 1.00 26.10 B H +ATOM 2115 HE1 PHE B 425 45.465 24.274 128.395 1.00 26.71 B H +ATOM 2116 HE2 PHE B 425 48.066 22.950 131.519 1.00 23.65 B H +ATOM 2117 HZ PHE B 425 47.639 24.372 129.546 1.00 24.65 B H +ATOM 2118 N THR B 426 43.475 24.303 132.535 1.00 32.53 B N +ATOM 2119 CA THR B 426 43.230 25.706 132.229 1.00 31.99 B C +ATOM 2120 C THR B 426 44.563 26.449 132.029 1.00 32.40 B C +ATOM 2121 O THR B 426 45.531 26.188 132.746 1.00 31.41 B O +ATOM 2122 CB THR B 426 42.372 26.392 133.337 1.00 33.76 B C +ATOM 2123 OG1 THR B 426 42.065 27.731 132.993 1.00 35.23 B O +ATOM 2124 CG2 THR B 426 43.016 26.423 134.738 1.00 32.87 B C +ATOM 2125 H THR B 426 44.374 24.090 132.942 1.00 32.53 B H +ATOM 2126 HA THR B 426 42.684 25.759 131.284 1.00 31.99 B H +ATOM 2127 HB THR B 426 41.421 25.864 133.412 1.00 33.76 B H +ATOM 2128 HG1 THR B 426 42.869 28.259 133.023 1.00 35.23 B H +ATOM 2129 HG21 THR B 426 42.331 26.854 135.470 1.00 32.87 B H +ATOM 2130 HG22 THR B 426 43.263 25.419 135.083 1.00 32.87 B H +ATOM 2131 HG23 THR B 426 43.929 27.019 134.764 1.00 32.87 B H +ATOM 2132 N GLU B 427 44.558 27.383 131.065 1.00 32.69 B N +ATOM 2133 CA GLU B 427 45.608 28.378 130.854 1.00 34.12 B C +ATOM 2134 C GLU B 427 45.278 29.663 131.637 1.00 33.67 B C +ATOM 2135 O GLU B 427 44.136 29.853 132.062 1.00 35.20 B O +ATOM 2136 CB GLU B 427 45.753 28.646 129.340 1.00 36.51 B C +ATOM 2137 CG GLU B 427 46.274 27.414 128.565 1.00 41.69 B C +ATOM 2138 CD GLU B 427 46.547 27.685 127.080 1.00 45.50 B C +ATOM 2139 OE1 GLU B 427 45.609 28.122 126.379 1.00 44.55 B O +ATOM 2140 OE2 GLU B 427 47.694 27.425 126.649 1.00 47.29 B O1- +ATOM 2141 H GLU B 427 43.719 27.520 130.520 1.00 32.69 B H +ATOM 2142 HA GLU B 427 46.560 27.999 131.230 1.00 34.12 B H +ATOM 2143 HB3 GLU B 427 46.428 29.486 129.176 1.00 36.51 B H +ATOM 2144 HB2 GLU B 427 44.789 28.955 128.932 1.00 36.51 B H +ATOM 2145 HG3 GLU B 427 45.548 26.605 128.629 1.00 41.69 B H +ATOM 2146 HG2 GLU B 427 47.183 27.045 129.045 1.00 41.69 B H +ATOM 2147 N GLY B 428 46.293 30.520 131.824 1.00 33.34 B N +ATOM 2148 CA GLY B 428 46.179 31.767 132.584 1.00 34.51 B C +ATOM 2149 C GLY B 428 46.223 31.499 134.106 1.00 36.70 B C +ATOM 2150 O GLY B 428 46.694 30.436 134.512 1.00 35.95 B O +ATOM 2151 H GLY B 428 47.198 30.315 131.419 1.00 33.34 B H +ATOM 2152 HA3 GLY B 428 45.263 32.273 132.282 1.00 34.51 B H +ATOM 2153 HA2 GLY B 428 47.010 32.419 132.316 1.00 34.51 B H +ATOM 2154 N PRO B 429 45.791 32.465 134.954 1.00 37.61 B N +ATOM 2155 CA PRO B 429 45.897 32.389 136.432 1.00 35.27 B C +ATOM 2156 C PRO B 429 44.998 31.283 137.041 1.00 34.51 B C +ATOM 2157 O PRO B 429 43.777 31.433 136.981 1.00 35.20 B O +ATOM 2158 CB PRO B 429 45.460 33.799 136.880 1.00 36.80 B C +ATOM 2159 CG PRO B 429 44.564 34.325 135.775 1.00 38.82 B C +ATOM 2160 CD PRO B 429 45.193 33.733 134.524 1.00 37.68 B C +ATOM 2161 HA PRO B 429 46.938 32.272 136.724 1.00 35.27 B H +ATOM 2162 HB3 PRO B 429 46.342 34.436 136.959 1.00 36.80 B H +ATOM 2163 HB2 PRO B 429 44.968 33.818 137.855 1.00 36.80 B H +ATOM 2164 HG3 PRO B 429 44.493 35.413 135.752 1.00 38.82 B H +ATOM 2165 HG2 PRO B 429 43.556 33.927 135.901 1.00 38.82 B H +ATOM 2166 HD2 PRO B 429 44.433 33.621 133.751 1.00 37.68 B H +ATOM 2167 HD3 PRO B 429 45.982 34.385 134.144 1.00 37.68 B H +ATOM 2168 N PRO B 430 45.586 30.174 137.566 1.00 32.84 B N +ATOM 2169 CA PRO B 430 44.808 29.049 138.132 1.00 33.23 B C +ATOM 2170 C PRO B 430 43.877 29.390 139.310 1.00 33.86 B C +ATOM 2171 O PRO B 430 42.827 28.758 139.425 1.00 32.09 B O +ATOM 2172 CB PRO B 430 45.870 28.021 138.563 1.00 32.15 B C +ATOM 2173 CG PRO B 430 47.101 28.376 137.753 1.00 32.06 B C +ATOM 2174 CD PRO B 430 47.020 29.892 137.668 1.00 30.88 B C +ATOM 2175 HA PRO B 430 44.214 28.628 137.319 1.00 33.23 B H +ATOM 2176 HB3 PRO B 430 45.546 26.993 138.398 1.00 32.15 B H +ATOM 2177 HB2 PRO B 430 46.101 28.119 139.625 1.00 32.15 B H +ATOM 2178 HG3 PRO B 430 47.014 27.952 136.751 1.00 32.06 B H +ATOM 2179 HG2 PRO B 430 48.026 28.011 138.195 1.00 32.06 B H +ATOM 2180 HD2 PRO B 430 47.394 30.352 138.583 1.00 30.88 B H +ATOM 2181 HD3 PRO B 430 47.626 30.248 136.837 1.00 30.88 B H +ATOM 2182 N LEU B 431 44.269 30.366 140.151 1.00 34.56 B N +ATOM 2183 CA LEU B 431 43.476 30.818 141.294 1.00 35.70 B C +ATOM 2184 C LEU B 431 42.263 31.640 140.829 1.00 36.24 B C +ATOM 2185 O LEU B 431 42.436 32.716 140.254 1.00 36.37 B O +ATOM 2186 CB LEU B 431 44.328 31.663 142.273 1.00 33.79 B C +ATOM 2187 CG LEU B 431 45.604 31.002 142.840 1.00 33.47 B C +ATOM 2188 CD1 LEU B 431 46.329 31.974 143.797 1.00 33.46 B C +ATOM 2189 CD2 LEU B 431 45.338 29.633 143.497 1.00 36.47 B C +ATOM 2190 H LEU B 431 45.142 30.847 139.993 1.00 34.56 B H +ATOM 2191 HA LEU B 431 43.116 29.935 141.824 1.00 35.70 B H +ATOM 2192 HB3 LEU B 431 43.692 31.954 143.111 1.00 33.79 B H +ATOM 2193 HB2 LEU B 431 44.620 32.595 141.786 1.00 33.79 B H +ATOM 2194 HG LEU B 431 46.282 30.825 142.004 1.00 33.47 B H +ATOM 2195 HD11 LEU B 431 46.520 31.546 144.781 1.00 33.46 B H +ATOM 2196 HD12 LEU B 431 47.290 32.272 143.381 1.00 33.46 B H +ATOM 2197 HD13 LEU B 431 45.761 32.891 143.962 1.00 33.46 B H +ATOM 2198 HD21 LEU B 431 45.913 29.480 144.410 1.00 36.47 B H +ATOM 2199 HD22 LEU B 431 44.288 29.492 143.753 1.00 36.47 B H +ATOM 2200 HD23 LEU B 431 45.625 28.837 142.811 1.00 36.47 B H +ATOM 2201 N HIS B 432 41.065 31.133 141.147 1.00 36.71 B N +ATOM 2202 CA HIS B 432 39.810 31.879 141.133 1.00 41.25 B C +ATOM 2203 C HIS B 432 39.719 32.740 142.405 1.00 44.37 B C +ATOM 2204 O HIS B 432 40.390 32.446 143.396 1.00 46.02 B O +ATOM 2205 CB HIS B 432 38.659 30.857 141.041 1.00 40.99 B C +ATOM 2206 CG HIS B 432 37.281 31.413 140.781 1.00 44.68 B C +ATOM 2207 ND1 HIS B 432 36.425 31.830 141.807 1.00 46.47 B N +ATOM 2208 CD2 HIS B 432 36.635 31.579 139.573 1.00 44.42 B C +ATOM 2209 CE1 HIS B 432 35.318 32.225 141.193 1.00 45.59 B C +ATOM 2210 NE2 HIS B 432 35.384 32.092 139.868 1.00 46.62 B N +ATOM 2211 H HIS B 432 41.027 30.240 141.625 1.00 36.71 B H +ATOM 2212 HA HIS B 432 39.786 32.524 140.252 1.00 41.25 B H +ATOM 2213 HB3 HIS B 432 38.616 30.255 141.949 1.00 40.99 B H +ATOM 2214 HB2 HIS B 432 38.876 30.170 140.223 1.00 40.99 B H +ATOM 2215 HD2 HIS B 432 36.949 31.364 138.563 1.00 44.42 B H +ATOM 2216 HE1 HIS B 432 34.450 32.599 141.714 1.00 45.59 B H +ATOM 2217 HE2 HIS B 432 34.649 32.304 139.207 1.00 46.62 B H +ATOM 2218 N LYS B 433 38.868 33.778 142.368 1.00 46.58 B N +ATOM 2219 CA LYS B 433 38.618 34.679 143.496 1.00 46.70 B C +ATOM 2220 C LYS B 433 38.077 33.981 144.760 1.00 43.89 B C +ATOM 2221 O LYS B 433 38.369 34.458 145.853 1.00 44.99 B O +ATOM 2222 CB LYS B 433 37.702 35.834 143.046 1.00 51.43 B C +ATOM 2223 CG LYS B 433 38.370 36.750 142.006 1.00 55.90 B C +ATOM 2224 CD LYS B 433 37.514 37.970 141.639 1.00 59.77 B C +ATOM 2225 CE LYS B 433 38.206 38.870 140.602 1.00 61.80 B C +ATOM 2226 NZ LYS B 433 37.393 40.053 140.272 1.00 62.64 B N1+ +ATOM 2227 H LYS B 433 38.330 33.949 141.531 1.00 46.58 B H +ATOM 2228 HA LYS B 433 39.584 35.109 143.768 1.00 46.70 B H +ATOM 2229 HB3 LYS B 433 37.437 36.438 143.916 1.00 51.43 B H +ATOM 2230 HB2 LYS B 433 36.764 35.438 142.653 1.00 51.43 B H +ATOM 2231 HG3 LYS B 433 38.587 36.181 141.101 1.00 55.90 B H +ATOM 2232 HG2 LYS B 433 39.333 37.090 142.390 1.00 55.90 B H +ATOM 2233 HD3 LYS B 433 37.301 38.542 142.544 1.00 59.77 B H +ATOM 2234 HD2 LYS B 433 36.551 37.630 141.256 1.00 59.77 B H +ATOM 2235 HE3 LYS B 433 38.397 38.310 139.685 1.00 61.80 B H +ATOM 2236 HE2 LYS B 433 39.172 39.207 140.979 1.00 61.80 B H +ATOM 2237 HZ1 LYS B 433 37.236 40.599 141.107 1.00 62.64 B H +ATOM 2238 HZ2 LYS B 433 37.878 40.617 139.589 1.00 62.64 B H +ATOM 2239 HZ3 LYS B 433 36.504 39.758 139.892 1.00 62.64 B H +ATOM 2240 N ASP B 434 37.369 32.847 144.598 1.00 40.87 B N +ATOM 2241 CA ASP B 434 36.906 31.962 145.671 1.00 39.24 B C +ATOM 2242 C ASP B 434 38.076 31.348 146.473 1.00 40.97 B C +ATOM 2243 O ASP B 434 38.047 31.386 147.702 1.00 41.38 B O +ATOM 2244 CB ASP B 434 35.941 30.884 145.113 1.00 38.77 B C +ATOM 2245 CG ASP B 434 35.318 29.954 146.165 1.00 39.93 B C +ATOM 2246 OD1 ASP B 434 35.891 28.864 146.385 1.00 43.55 B O +ATOM 2247 OD2 ASP B 434 34.369 30.413 146.838 1.00 42.42 B O1- +ATOM 2248 H ASP B 434 37.176 32.524 143.659 1.00 40.87 B H +ATOM 2249 HA ASP B 434 36.337 32.586 146.364 1.00 39.24 B H +ATOM 2250 HB3 ASP B 434 36.452 30.288 144.355 1.00 38.77 B H +ATOM 2251 HB2 ASP B 434 35.133 31.378 144.569 1.00 38.77 B H +ATOM 2252 N ASP B 435 39.095 30.836 145.756 1.00 39.44 B N +ATOM 2253 CA ASP B 435 40.349 30.299 146.309 1.00 37.18 B C +ATOM 2254 C ASP B 435 41.154 31.356 147.079 1.00 38.01 B C +ATOM 2255 O ASP B 435 41.705 31.045 148.135 1.00 39.15 B O +ATOM 2256 CB ASP B 435 41.268 29.678 145.228 1.00 36.04 B C +ATOM 2257 CG ASP B 435 40.578 28.683 144.288 1.00 37.10 B C +ATOM 2258 OD1 ASP B 435 39.896 27.767 144.796 1.00 35.74 B O +ATOM 2259 OD2 ASP B 435 40.808 28.808 143.066 1.00 40.79 B O1- +ATOM 2260 H ASP B 435 39.034 30.847 144.748 1.00 39.44 B H +ATOM 2261 HA ASP B 435 40.077 29.516 147.019 1.00 37.18 B H +ATOM 2262 HB3 ASP B 435 42.090 29.147 145.708 1.00 36.04 B H +ATOM 2263 HB2 ASP B 435 41.722 30.469 144.628 1.00 36.04 B H +ATOM 2264 N VAL B 436 41.181 32.586 146.535 1.00 37.34 B N +ATOM 2265 CA VAL B 436 41.829 33.749 147.132 1.00 37.88 B C +ATOM 2266 C VAL B 436 41.121 34.208 148.425 1.00 41.35 B C +ATOM 2267 O VAL B 436 41.815 34.507 149.392 1.00 40.58 B O +ATOM 2268 CB VAL B 436 41.942 34.926 146.118 1.00 37.00 B C +ATOM 2269 CG1 VAL B 436 42.449 36.255 146.715 1.00 37.16 B C +ATOM 2270 CG2 VAL B 436 42.835 34.534 144.926 1.00 37.45 B C +ATOM 2271 H VAL B 436 40.705 32.741 145.656 1.00 37.34 B H +ATOM 2272 HA VAL B 436 42.845 33.452 147.398 1.00 37.88 B H +ATOM 2273 HB VAL B 436 40.949 35.125 145.718 1.00 37.00 B H +ATOM 2274 HG11 VAL B 436 42.616 36.998 145.934 1.00 37.16 B H +ATOM 2275 HG12 VAL B 436 41.730 36.690 147.408 1.00 37.16 B H +ATOM 2276 HG13 VAL B 436 43.393 36.115 147.242 1.00 37.16 B H +ATOM 2277 HG21 VAL B 436 42.924 35.350 144.209 1.00 37.45 B H +ATOM 2278 HG22 VAL B 436 43.839 34.268 145.256 1.00 37.45 B H +ATOM 2279 HG23 VAL B 436 42.435 33.678 144.386 1.00 37.45 B H +ATOM 2280 N ASN B 437 39.774 34.196 148.456 1.00 42.61 B N +ATOM 2281 CA ASN B 437 38.977 34.494 149.656 1.00 42.98 B C +ATOM 2282 C ASN B 437 39.144 33.439 150.763 1.00 41.97 B C +ATOM 2283 O ASN B 437 39.189 33.818 151.932 1.00 44.18 B O +ATOM 2284 CB ASN B 437 37.474 34.642 149.306 1.00 44.38 B C +ATOM 2285 CG ASN B 437 37.107 35.839 148.421 1.00 46.07 B C +ATOM 2286 OD1 ASN B 437 36.248 35.721 147.552 1.00 49.54 B O +ATOM 2287 ND2 ASN B 437 37.721 37.003 148.646 1.00 46.44 B N +ATOM 2288 H ASN B 437 39.256 33.944 147.624 1.00 42.61 B H +ATOM 2289 HA ASN B 437 39.346 35.445 150.045 1.00 42.98 B H +ATOM 2290 HB3 ASN B 437 36.896 34.758 150.224 1.00 44.38 B H +ATOM 2291 HB2 ASN B 437 37.108 33.729 148.834 1.00 44.38 B H +ATOM 2292 HD22 ASN B 437 37.488 37.809 148.085 1.00 46.44 B H +ATOM 2293 HD21 ASN B 437 38.411 37.089 149.378 1.00 46.44 B H +ATOM 2294 N GLY B 438 39.244 32.153 150.383 1.00 42.23 B N +ATOM 2295 CA GLY B 438 39.361 31.028 151.311 1.00 41.20 B C +ATOM 2296 C GLY B 438 40.719 31.004 152.027 1.00 40.27 B C +ATOM 2297 O GLY B 438 40.773 30.635 153.199 1.00 40.43 B O +ATOM 2298 H GLY B 438 39.180 31.924 149.399 1.00 42.23 B H +ATOM 2299 HA3 GLY B 438 39.243 30.100 150.752 1.00 41.20 B H +ATOM 2300 HA2 GLY B 438 38.554 31.066 152.045 1.00 41.20 B H +ATOM 2301 N ILE B 439 41.802 31.411 151.340 1.00 39.21 B N +ATOM 2302 CA ILE B 439 43.152 31.461 151.907 1.00 38.89 B C +ATOM 2303 C ILE B 439 43.434 32.804 152.628 1.00 40.47 B C +ATOM 2304 O ILE B 439 44.235 32.802 153.562 1.00 41.20 B O +ATOM 2305 CB ILE B 439 44.224 31.147 150.819 1.00 34.85 B C +ATOM 2306 CG1 ILE B 439 45.561 30.654 151.414 1.00 34.00 B C +ATOM 2307 CG2 ILE B 439 44.482 32.313 149.848 1.00 32.27 B C +ATOM 2308 CD1 ILE B 439 45.547 29.203 151.910 1.00 32.09 B C +ATOM 2309 H ILE B 439 41.708 31.687 150.372 1.00 39.21 B H +ATOM 2310 HA ILE B 439 43.228 30.690 152.675 1.00 38.89 B H +ATOM 2311 HB ILE B 439 43.832 30.330 150.210 1.00 34.85 B H +ATOM 2312 HG13 ILE B 439 45.864 31.301 152.231 1.00 34.00 B H +ATOM 2313 HG12 ILE B 439 46.346 30.730 150.661 1.00 34.00 B H +ATOM 2314 HG21 ILE B 439 45.109 31.994 149.018 1.00 32.27 B H +ATOM 2315 HG22 ILE B 439 43.549 32.664 149.420 1.00 32.27 B H +ATOM 2316 HG23 ILE B 439 44.974 33.159 150.328 1.00 32.27 B H +ATOM 2317 HD11 ILE B 439 46.504 28.960 152.370 1.00 32.09 B H +ATOM 2318 HD12 ILE B 439 44.772 29.026 152.655 1.00 32.09 B H +ATOM 2319 HD13 ILE B 439 45.395 28.508 151.087 1.00 32.09 B H +ATOM 2320 N ARG B 440 42.716 33.891 152.267 1.00 43.75 B N +ATOM 2321 CA ARG B 440 42.656 35.143 153.044 1.00 44.46 B C +ATOM 2322 C ARG B 440 41.957 34.944 154.403 1.00 44.17 B C +ATOM 2323 O ARG B 440 42.313 35.635 155.357 1.00 43.24 B O +ATOM 2324 CB ARG B 440 41.914 36.261 152.264 1.00 46.94 B C +ATOM 2325 CG ARG B 440 42.828 37.323 151.629 1.00 49.56 B C +ATOM 2326 CD ARG B 440 43.499 36.902 150.316 1.00 54.73 B C +ATOM 2327 NE ARG B 440 44.471 37.905 149.844 1.00 58.03 B N +ATOM 2328 CZ ARG B 440 44.248 39.048 149.168 1.00 60.42 B C +ATOM 2329 NH1 ARG B 440 43.018 39.450 148.809 1.00 60.93 B N +ATOM 2330 NH2 ARG B 440 45.296 39.813 148.840 1.00 60.50 B N1+ +ATOM 2331 H ARG B 440 42.085 33.829 151.479 1.00 43.75 B H +ATOM 2332 HA ARG B 440 43.675 35.470 153.252 1.00 44.46 B H +ATOM 2333 HB3 ARG B 440 41.264 36.816 152.943 1.00 46.94 B H +ATOM 2334 HB2 ARG B 440 41.228 35.841 151.529 1.00 46.94 B H +ATOM 2335 HG3 ARG B 440 43.547 37.725 152.346 1.00 49.56 B H +ATOM 2336 HG2 ARG B 440 42.165 38.156 151.392 1.00 49.56 B H +ATOM 2337 HD3 ARG B 440 42.734 36.856 149.546 1.00 54.73 B H +ATOM 2338 HD2 ARG B 440 43.934 35.903 150.376 1.00 54.73 B H +ATOM 2339 HE ARG B 440 45.427 37.677 150.083 1.00 58.03 B H +ATOM 2340 HH12 ARG B 440 42.882 40.313 148.304 1.00 60.93 B H +ATOM 2341 HH11 ARG B 440 42.217 38.884 149.050 1.00 60.93 B H +ATOM 2342 HH22 ARG B 440 45.163 40.677 148.334 1.00 60.50 B H +ATOM 2343 HH21 ARG B 440 46.231 39.537 149.103 1.00 60.50 B H +ATOM 2344 N HIS B 441 40.978 34.024 154.471 1.00 42.88 B N +ATOM 2345 CA HIS B 441 40.247 33.688 155.692 1.00 43.46 B C +ATOM 2346 C HIS B 441 41.116 32.950 156.730 1.00 42.38 B C +ATOM 2347 O HIS B 441 40.879 33.117 157.927 1.00 43.43 B O +ATOM 2348 CB HIS B 441 38.990 32.876 155.314 1.00 46.73 B C +ATOM 2349 CG HIS B 441 38.039 32.602 156.453 1.00 52.22 B C +ATOM 2350 ND1 HIS B 441 37.332 33.603 157.096 1.00 54.78 B N +ATOM 2351 CD2 HIS B 441 37.680 31.430 157.083 1.00 53.91 B C +ATOM 2352 CE1 HIS B 441 36.604 33.019 158.051 1.00 54.20 B C +ATOM 2353 NE2 HIS B 441 36.765 31.702 158.102 1.00 54.76 B N +ATOM 2354 H HIS B 441 40.714 33.516 153.638 1.00 42.88 B H +ATOM 2355 HA HIS B 441 39.919 34.627 156.144 1.00 43.46 B H +ATOM 2356 HB3 HIS B 441 39.278 31.920 154.879 1.00 46.73 B H +ATOM 2357 HB2 HIS B 441 38.429 33.403 154.542 1.00 46.73 B H +ATOM 2358 HD1 HIS B 441 37.363 34.590 156.886 1.00 54.78 B H +ATOM 2359 HD2 HIS B 441 38.012 30.421 156.887 1.00 53.91 B H +ATOM 2360 HE1 HIS B 441 35.951 33.564 158.717 1.00 54.20 B H +ATOM 2361 N LEU B 442 42.103 32.168 156.258 1.00 40.54 B N +ATOM 2362 CA LEU B 442 43.011 31.390 157.100 1.00 37.84 B C +ATOM 2363 C LEU B 442 44.295 32.148 157.484 1.00 35.29 B C +ATOM 2364 O LEU B 442 44.839 31.843 158.543 1.00 37.44 B O +ATOM 2365 CB LEU B 442 43.384 30.075 156.376 1.00 36.23 B C +ATOM 2366 CG LEU B 442 42.250 29.031 156.285 1.00 36.95 B C +ATOM 2367 CD1 LEU B 442 42.672 27.845 155.398 1.00 37.45 B C +ATOM 2368 CD2 LEU B 442 41.769 28.547 157.669 1.00 38.67 B C +ATOM 2369 H LEU B 442 42.241 32.091 155.260 1.00 40.54 B H +ATOM 2370 HA LEU B 442 42.508 31.143 158.035 1.00 37.84 B H +ATOM 2371 HB3 LEU B 442 44.226 29.602 156.884 1.00 36.23 B H +ATOM 2372 HB2 LEU B 442 43.740 30.317 155.373 1.00 36.23 B H +ATOM 2373 HG LEU B 442 41.406 29.510 155.787 1.00 36.95 B H +ATOM 2374 HD11 LEU B 442 41.805 27.410 154.900 1.00 37.45 B H +ATOM 2375 HD12 LEU B 442 43.380 28.141 154.623 1.00 37.45 B H +ATOM 2376 HD13 LEU B 442 43.146 27.052 155.977 1.00 37.45 B H +ATOM 2377 HD21 LEU B 442 41.709 27.460 157.723 1.00 38.67 B H +ATOM 2378 HD22 LEU B 442 42.435 28.864 158.472 1.00 38.67 B H +ATOM 2379 HD23 LEU B 442 40.776 28.938 157.892 1.00 38.67 B H +ATOM 2380 N TYR B 443 44.782 33.082 156.643 1.00 34.38 B N +ATOM 2381 CA TYR B 443 46.122 33.694 156.789 1.00 36.23 B C +ATOM 2382 C TYR B 443 46.115 35.204 156.347 1.00 38.24 B C +ATOM 2383 O TYR B 443 46.752 35.964 157.113 1.00 40.58 B O +ATOM 2384 CB TYR B 443 47.161 32.948 155.897 1.00 34.25 B C +ATOM 2385 CG TYR B 443 47.322 31.462 156.177 1.00 31.93 B C +ATOM 2386 CD1 TYR B 443 46.700 30.520 155.332 1.00 29.81 B C +ATOM 2387 CD2 TYR B 443 48.066 31.017 157.289 1.00 29.17 B C +ATOM 2388 CE1 TYR B 443 46.810 29.144 155.602 1.00 28.03 B C +ATOM 2389 CE2 TYR B 443 48.181 29.639 157.556 1.00 28.10 B C +ATOM 2390 CZ TYR B 443 47.549 28.702 156.716 1.00 29.15 B C +ATOM 2391 OH TYR B 443 47.640 27.368 156.988 1.00 27.85 B O +ATOM 2392 OXT TYR B 443 45.563 35.471 155.253 1.00 41.15 B O1- +ATOM 2393 H TYR B 443 44.264 33.347 155.816 1.00 34.38 B H +ATOM 2394 HA TYR B 443 46.446 33.638 157.833 1.00 36.23 B H +ATOM 2395 HB3 TYR B 443 48.146 33.408 155.999 1.00 34.25 B H +ATOM 2396 HB2 TYR B 443 46.899 33.051 154.841 1.00 34.25 B H +ATOM 2397 HD1 TYR B 443 46.119 30.851 154.486 1.00 29.81 B H +ATOM 2398 HD2 TYR B 443 48.543 31.732 157.942 1.00 29.17 B H +ATOM 2399 HE1 TYR B 443 46.314 28.437 154.955 1.00 28.03 B H +ATOM 2400 HE2 TYR B 443 48.750 29.302 158.409 1.00 28.10 B H +ATOM 2401 HH TYR B 443 47.095 26.835 156.399 1.00 27.85 B H +HETATM 2402 O HOH B2040 39.047 9.681 136.112 1.00 34.41 B O +HETATM 2403 H1 HOH B2040 38.091 9.552 136.376 1.00 34.41 B H +HETATM 2404 H2 HOH B2040 39.090 9.938 135.146 1.00 34.41 B H +HETATM 2405 O HOH B2054 40.021 11.990 133.313 1.00 45.44 B O +HETATM 2406 H1 HOH B2054 41.006 11.809 133.376 1.00 45.44 B H +HETATM 2407 H2 HOH B2054 39.820 12.872 133.738 1.00 45.44 B H +CONECT 1572 1577 +CONECT 1577 1572 +CONECT 2402 2403 2404 +CONECT 2403 2402 +CONECT 2404 2402 +CONECT 2405 2406 2407 +CONECT 2406 2405 +CONECT 2407 2405 +END