diff --git a/app.py b/app.py new file mode 100644 index 0000000000000000000000000000000000000000..0330a250e77ea872fc671c4e35c3207cf14f9a54 --- /dev/null +++ b/app.py @@ -0,0 +1,461 @@ +import gradio as gr +import os + +import copy +import os +import torch + +import time +from argparse import ArgumentParser, Namespace, FileType +from rdkit.Chem import RemoveHs +from functools import partial +import numpy as np +import pandas as pd +from rdkit import RDLogger +from rdkit.Chem import MolFromSmiles, AddHs +from torch_geometric.loader import DataLoader +import yaml + +from datasets.process_mols import ( + read_molecule, + generate_conformer, + write_mol_with_coords, +) +from datasets.pdbbind import PDBBind +from utils.diffusion_utils import t_to_sigma as t_to_sigma_compl, get_t_schedule +from utils.sampling import randomize_position, sampling +from utils.utils import get_model +from utils.visualise import PDBFile +from tqdm import tqdm +from datasets.esm_embedding_preparation import esm_embedding_prep +import subprocess + +device = torch.device("cuda" if torch.cuda.is_available() else "cpu") + +with open(f"workdir/paper_score_model/model_parameters.yml") as f: + score_model_args = Namespace(**yaml.full_load(f)) + +with open(f"workdir/paper_confidence_model/model_parameters.yml") as f: + confidence_args = Namespace(**yaml.full_load(f)) + +t_to_sigma = partial(t_to_sigma_compl, args=score_model_args) + +model = get_model(score_model_args, device, t_to_sigma=t_to_sigma, no_parallel=True) +state_dict = torch.load( + f"workdir/paper_score_model/best_ema_inference_epoch_model.pt", + map_location=torch.device("cpu"), +) +model.load_state_dict(state_dict, strict=True) +model = model.to(device) +model.eval() + +confidence_model = get_model( + confidence_args, + device, + t_to_sigma=t_to_sigma, + no_parallel=True, + confidence_mode=True, +) +state_dict = torch.load( + f"workdir/paper_confidence_model/best_model_epoch75.pt", + map_location=torch.device("cpu"), +) +confidence_model.load_state_dict(state_dict, strict=True) +confidence_model = confidence_model.to(device) +confidence_model.eval() +tr_schedule = get_t_schedule(inference_steps=10) +rot_schedule = tr_schedule +tor_schedule = tr_schedule +print("common t schedule", tr_schedule) +failures, skipped, confidences_list, names_list, run_times, min_self_distances_list = ( + 0, + 0, + [], + [], + [], + [], +) +N = 10 + + +def get_pdb(pdb_code="", filepath=""): + if pdb_code is None or pdb_code == "": + try: + return filepath.name + except AttributeError as e: + return None + else: + os.system(f"wget -qnc https://files.rcsb.org/view/{pdb_code}.pdb") + return f"{pdb_code}.pdb" + + +def get_ligand(smiles="", filepath=""): + if smiles is None or smiles == "": + try: + return filepath.name + except AttributeError as e: + return None + else: + return smiles + + +def read_mol(molpath): + with open(molpath, "r") as fp: + lines = fp.readlines() + mol = "" + for l in lines: + mol += l + return mol + + +def molecule(input_pdb, ligand_pdb): + + structure = read_mol(input_pdb) + mol = read_mol(ligand_pdb) + + x = ( + """ + + + + + + + + +
+ + + """ + ) + + return f"""""" + + +def esm(protein_path, out_file): + esm_embedding_prep(out_file, protein_path) + # create args object with defaults + os.environ["HOME"] = "esm/model_weights" + + subprocess.call( + f"python esm/scripts/extract.py esm2_t33_650M_UR50D {out_file} data/esm2_output --repr_layers 33 --include per_tok", + shell=True, + ) + + +def update(inp, file, ligand_inp, ligand_file): + pdb_path = get_pdb(inp, file) + ligand_path = get_ligand(ligand_inp, ligand_file) + + esm( + pdb_path, + f"data/{os.path.basename(pdb_path)}_prepared_for_esm.fasta", + ) + + protein_path_list = [pdb_path] + ligand_descriptions = [ligand_path] + no_random = False + ode = False + no_final_step_noise = False + out_dir = "results/test" + test_dataset = PDBBind( + transform=None, + root="", + protein_path_list=protein_path_list, + ligand_descriptions=ligand_descriptions, + receptor_radius=score_model_args.receptor_radius, + cache_path="data/cache", + remove_hs=score_model_args.remove_hs, + max_lig_size=None, + c_alpha_max_neighbors=score_model_args.c_alpha_max_neighbors, + matching=False, + keep_original=False, + popsize=score_model_args.matching_popsize, + maxiter=score_model_args.matching_maxiter, + all_atoms=score_model_args.all_atoms, + atom_radius=score_model_args.atom_radius, + atom_max_neighbors=score_model_args.atom_max_neighbors, + esm_embeddings_path="data/esm2_output", + require_ligand=True, + num_workers=1, + keep_local_structures=False, + ) + test_loader = DataLoader(dataset=test_dataset, batch_size=1, shuffle=False) + confidence_test_dataset = PDBBind( + transform=None, + root="", + protein_path_list=protein_path_list, + ligand_descriptions=ligand_descriptions, + receptor_radius=confidence_args.receptor_radius, + cache_path="data/cache", + remove_hs=confidence_args.remove_hs, + max_lig_size=None, + c_alpha_max_neighbors=confidence_args.c_alpha_max_neighbors, + matching=False, + keep_original=False, + popsize=confidence_args.matching_popsize, + maxiter=confidence_args.matching_maxiter, + all_atoms=confidence_args.all_atoms, + atom_radius=confidence_args.atom_radius, + atom_max_neighbors=confidence_args.atom_max_neighbors, + esm_embeddings_path="data/esm2_output", + require_ligand=True, + num_workers=1, + ) + confidence_complex_dict = {d.name: d for d in confidence_test_dataset} + for idx, orig_complex_graph in tqdm(enumerate(test_loader)): + if ( + confidence_model is not None + and not ( + confidence_args.use_original_model_cache + or confidence_args.transfer_weights + ) + and orig_complex_graph.name[0] not in confidence_complex_dict.keys() + ): + skipped += 1 + print( + f"HAPPENING | The confidence dataset did not contain {orig_complex_graph.name[0]}. We are skipping this complex." + ) + continue + try: + data_list = [copy.deepcopy(orig_complex_graph) for _ in range(N)] + randomize_position( + data_list, + score_model_args.no_torsion, + no_random, + score_model_args.tr_sigma_max, + ) + pdb = None + lig = orig_complex_graph.mol[0] + visualization_list = [] + for graph in data_list: + pdb = PDBFile(lig) + pdb.add(lig, 0, 0) + pdb.add( + ( + orig_complex_graph["ligand"].pos + + orig_complex_graph.original_center + ) + .detach() + .cpu(), + 1, + 0, + ) + pdb.add( + (graph["ligand"].pos + graph.original_center).detach().cpu(), + part=1, + order=1, + ) + visualization_list.append(pdb) + + start_time = time.time() + if confidence_model is not None and not ( + confidence_args.use_original_model_cache + or confidence_args.transfer_weights + ): + confidence_data_list = [ + copy.deepcopy(confidence_complex_dict[orig_complex_graph.name[0]]) + for _ in range(N) + ] + else: + confidence_data_list = None + + data_list, confidence = sampling( + data_list=data_list, + model=model, + inference_steps=10, + tr_schedule=tr_schedule, + rot_schedule=rot_schedule, + tor_schedule=tor_schedule, + device=device, + t_to_sigma=t_to_sigma, + model_args=score_model_args, + no_random=no_random, + ode=ode, + visualization_list=visualization_list, + confidence_model=confidence_model, + confidence_data_list=confidence_data_list, + confidence_model_args=confidence_args, + batch_size=1, + no_final_step_noise=no_final_step_noise, + ) + ligand_pos = np.asarray( + [ + complex_graph["ligand"].pos.cpu().numpy() + + orig_complex_graph.original_center.cpu().numpy() + for complex_graph in data_list + ] + ) + run_times.append(time.time() - start_time) + + if confidence is not None and isinstance( + confidence_args.rmsd_classification_cutoff, list + ): + confidence = confidence[:, 0] + if confidence is not None: + confidence = confidence.cpu().numpy() + re_order = np.argsort(confidence)[::-1] + confidence = confidence[re_order] + confidences_list.append(confidence) + ligand_pos = ligand_pos[re_order] + write_dir = ( + f'{out_dir}/index{idx}_{data_list[0]["name"][0].replace("/","-")}' + ) + os.makedirs(write_dir, exist_ok=True) + for rank, pos in enumerate(ligand_pos): + mol_pred = copy.deepcopy(lig) + if score_model_args.remove_hs: + mol_pred = RemoveHs(mol_pred) + if rank == 0: + write_mol_with_coords( + mol_pred, pos, os.path.join(write_dir, f"rank{rank+1}.sdf") + ) + write_mol_with_coords( + mol_pred, + pos, + os.path.join( + write_dir, f"rank{rank+1}_confidence{confidence[rank]:.2f}.sdf" + ), + ) + self_distances = np.linalg.norm( + ligand_pos[:, :, None, :] - ligand_pos[:, None, :, :], axis=-1 + ) + self_distances = np.where( + np.eye(self_distances.shape[2]), np.inf, self_distances + ) + min_self_distances_list.append(np.min(self_distances, axis=(1, 2))) + + filenames = [] + if confidence is not None: + for rank, batch_idx in enumerate(re_order): + visualization_list[batch_idx].write( + os.path.join(write_dir, f"rank{rank+1}_reverseprocess.pdb") + ) + filenames.append( + os.path.join(write_dir, f"rank{rank+1}_reverseprocess.pdb") + ) + else: + for rank, batch_idx in enumerate(ligand_pos): + visualization_list[batch_idx].write( + os.path.join(write_dir, f"rank{rank+1}_reverseprocess.pdb") + ) + filenames.append( + os.path.join(write_dir, f"rank{rank+1}_reverseprocess.pdb") + ) + names_list.append(orig_complex_graph.name[0]) + except Exception as e: + print("Failed on", orig_complex_graph["name"], e) + failures += 1 + return None + + labels = [f"rank {i+1}" for i in range(len(filenames))] + return ( + molecule(pdb_path, filenames[0]), + gr.Dropdown.update(choices=labels, value="rank 1"), + filenames, + pdb_path, + ) + + +def updateView(out, filenames, pdb): + i = int(out.replace("rank", "")) + return molecule(pdb, filenames[i]) + + +demo = gr.Blocks() + +with demo: + gr.Markdown("# DiffDock") + gr.Markdown( + ">**DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking**, Corso, Gabriele and Stärk, Hannes and Jing, Bowen and Barzilay, Regina and Jaakkola, Tommi, arXiv:2210.01776 [GitHub](https://github.com/gcorso/diffdock)" + ) + gr.Markdown("Runs the diffusion model `10` times with `10` inference steps") + with gr.Box(): + with gr.Row(): + with gr.Column(): + gr.Markdown("## Protein") + inp = gr.Textbox( + placeholder="PDB Code or upload file below", label="Input structure" + ) + file = gr.File(file_count="single", label="Input PDB") + with gr.Column(): + gr.Markdown("## Ligand") + ligand_inp = gr.Textbox( + placeholder="Provide SMILES input or upload mol2/sdf file below", + label="SMILES string", + ) + ligand_file = gr.File(file_count="single", label="Input Ligand") + + btn = gr.Button("Run predictions") + + gr.Markdown("## Output") + pdb = gr.Variable() + filenames = gr.Variable() + out = gr.Dropdown(interactive=True, label="Ranked samples") + mol = gr.HTML() + gr.Examples( + [ + [ + None, + "examples/1a46_protein_processed.pdb", + None, + "examples/1a46_ligand.sdf", + ] + ], + [inp, file, ligand_inp, ligand_file], + [mol, out], + # cache_examples=True, + ) + btn.click( + fn=update, + inputs=[inp, file, ligand_inp, ligand_file], + outputs=[mol, out, filenames, pdb], + ) + out.change(fn=updateView, inputs=[out, filenames, pdb], outputs=mol) +demo.launch() diff --git a/datasets/esm_embedding_preparation.py b/datasets/esm_embedding_preparation.py index d4075638eacb7a085ca48f337964da3374bfe694..f6162d2fd983c0dc844a61d90f49119a0813d183 100644 --- a/datasets/esm_embedding_preparation.py +++ b/datasets/esm_embedding_preparation.py @@ -9,79 +9,80 @@ from Bio.SeqRecord import SeqRecord from tqdm import tqdm from Bio import SeqIO -parser = ArgumentParser() -parser.add_argument('--out_file', type=str, default="data/prepared_for_esm.fasta") -parser.add_argument('--protein_ligand_csv', type=str, default='data/protein_ligand_example_csv.csv', help='Path to a .csv specifying the input as described in the main README') -parser.add_argument('--protein_path', type=str, default=None, help='Path to a single PDB file. If this is not None then it will be used instead of the --protein_ligand_csv') -args = parser.parse_args() -biopython_parser = PDBParser() -three_to_one = {'ALA': 'A', -'ARG': 'R', -'ASN': 'N', -'ASP': 'D', -'CYS': 'C', -'GLN': 'Q', -'GLU': 'E', -'GLY': 'G', -'HIS': 'H', -'ILE': 'I', -'LEU': 'L', -'LYS': 'K', -'MET': 'M', -'MSE': 'M', # MSE this is almost the same AA as MET. The sulfur is just replaced by Selen -'PHE': 'F', -'PRO': 'P', -'PYL': 'O', -'SER': 'S', -'SEC': 'U', -'THR': 'T', -'TRP': 'W', -'TYR': 'Y', -'VAL': 'V', -'ASX': 'B', -'GLX': 'Z', -'XAA': 'X', -'XLE': 'J'} - -if args.protein_path is not None: - file_paths = [args.protein_path] -else: - df = pd.read_csv(args.protein_ligand_csv) - file_paths = list(set(df['protein_path'].tolist())) -sequences = [] -ids = [] -for file_path in tqdm(file_paths): - structure = biopython_parser.get_structure('random_id', file_path) - structure = structure[0] - for i, chain in enumerate(structure): - seq = '' - for res_idx, residue in enumerate(chain): - if residue.get_resname() == 'HOH': - continue - residue_coords = [] - c_alpha, n, c = None, None, None - for atom in residue: - if atom.name == 'CA': - c_alpha = list(atom.get_vector()) - if atom.name == 'N': - n = list(atom.get_vector()) - if atom.name == 'C': - c = list(atom.get_vector()) - if c_alpha != None and n != None and c != None: # only append residue if it is an amino acid - try: - seq += three_to_one[residue.get_resname()] - except Exception as e: - seq += '-' - print("encountered unknown AA: ", residue.get_resname(), ' in the complex ', file_path, '. Replacing it with a dash - .') - sequences.append(seq) - ids.append(f'{os.path.basename(file_path)}_chain_{i}') -records = [] -for (index, seq) in zip(ids,sequences): - record = SeqRecord(Seq(seq), str(index)) - record.description = '' - records.append(record) -SeqIO.write(records, args.out_file, "fasta") +def esm_embedding_prep(out_file, protein_path): + biopython_parser = PDBParser() + three_to_one = { + "ALA": "A", + "ARG": "R", + "ASN": "N", + "ASP": "D", + "CYS": "C", + "GLN": "Q", + "GLU": "E", + "GLY": "G", + "HIS": "H", + "ILE": "I", + "LEU": "L", + "LYS": "K", + "MET": "M", + "MSE": "M", # MSE this is almost the same AA as MET. The sulfur is just replaced by Selen + "PHE": "F", + "PRO": "P", + "PYL": "O", + "SER": "S", + "SEC": "U", + "THR": "T", + "TRP": "W", + "TYR": "Y", + "VAL": "V", + "ASX": "B", + "GLX": "Z", + "XAA": "X", + "XLE": "J", + } + file_paths = [protein_path] + sequences = [] + ids = [] + for file_path in tqdm(file_paths): + structure = biopython_parser.get_structure("random_id", file_path) + structure = structure[0] + for i, chain in enumerate(structure): + seq = "" + for res_idx, residue in enumerate(chain): + if residue.get_resname() == "HOH": + continue + residue_coords = [] + c_alpha, n, c = None, None, None + for atom in residue: + if atom.name == "CA": + c_alpha = list(atom.get_vector()) + if atom.name == "N": + n = list(atom.get_vector()) + if atom.name == "C": + c = list(atom.get_vector()) + if ( + c_alpha != None and n != None and c != None + ): # only append residue if it is an amino acid + try: + seq += three_to_one[residue.get_resname()] + except Exception as e: + seq += "-" + print( + "encountered unknown AA: ", + residue.get_resname(), + " in the complex ", + file_path, + ". Replacing it with a dash - .", + ) + sequences.append(seq) + ids.append(f"{os.path.basename(file_path)}_chain_{i}") + records = [] + for (index, seq) in zip(ids, sequences): + record = SeqRecord(Seq(seq), str(index)) + record.description = "" + records.append(record) + SeqIO.write(records, out_file, "fasta") diff --git a/datasets/pdbbind.py b/datasets/pdbbind.py index 51682a24df8135862b3c296c7f3e6f060bbe2614..0a587944049bef93105db59d8f1fb0ae6df4df15 100644 --- a/datasets/pdbbind.py +++ b/datasets/pdbbind.py @@ -16,8 +16,15 @@ from torch_geometric.loader import DataLoader, DataListLoader from torch_geometric.transforms import BaseTransform from tqdm import tqdm -from datasets.process_mols import read_molecule, get_rec_graph, generate_conformer, \ - get_lig_graph_with_matching, extract_receptor_structure, parse_receptor, parse_pdb_from_path +from datasets.process_mols import ( + read_molecule, + get_rec_graph, + generate_conformer, + get_lig_graph_with_matching, + extract_receptor_structure, + parse_receptor, + parse_pdb_from_path, +) from utils.diffusion_utils import modify_conformer, set_time from utils.utils import read_strings_from_txt from utils import so3, torus @@ -34,32 +41,87 @@ class NoiseTransform(BaseTransform): t_tr, t_rot, t_tor = t, t, t return self.apply_noise(data, t_tr, t_rot, t_tor) - def apply_noise(self, data, t_tr, t_rot, t_tor, tr_update = None, rot_update=None, torsion_updates=None): - if not torch.is_tensor(data['ligand'].pos): - data['ligand'].pos = random.choice(data['ligand'].pos) + def apply_noise( + self, + data, + t_tr, + t_rot, + t_tor, + tr_update=None, + rot_update=None, + torsion_updates=None, + ): + if not torch.is_tensor(data["ligand"].pos): + data["ligand"].pos = random.choice(data["ligand"].pos) tr_sigma, rot_sigma, tor_sigma = self.t_to_sigma(t_tr, t_rot, t_tor) set_time(data, t_tr, t_rot, t_tor, 1, self.all_atom, device=None) - tr_update = torch.normal(mean=0, std=tr_sigma, size=(1, 3)) if tr_update is None else tr_update + tr_update = ( + torch.normal(mean=0, std=tr_sigma, size=(1, 3)) + if tr_update is None + else tr_update + ) rot_update = so3.sample_vec(eps=rot_sigma) if rot_update is None else rot_update - torsion_updates = np.random.normal(loc=0.0, scale=tor_sigma, size=data['ligand'].edge_mask.sum()) if torsion_updates is None else torsion_updates + torsion_updates = ( + np.random.normal( + loc=0.0, scale=tor_sigma, size=data["ligand"].edge_mask.sum() + ) + if torsion_updates is None + else torsion_updates + ) torsion_updates = None if self.no_torsion else torsion_updates - modify_conformer(data, tr_update, torch.from_numpy(rot_update).float(), torsion_updates) - - data.tr_score = -tr_update / tr_sigma ** 2 - data.rot_score = torch.from_numpy(so3.score_vec(vec=rot_update, eps=rot_sigma)).float().unsqueeze(0) - data.tor_score = None if self.no_torsion else torch.from_numpy(torus.score(torsion_updates, tor_sigma)).float() - data.tor_sigma_edge = None if self.no_torsion else np.ones(data['ligand'].edge_mask.sum()) * tor_sigma + modify_conformer( + data, tr_update, torch.from_numpy(rot_update).float(), torsion_updates + ) + + data.tr_score = -tr_update / tr_sigma**2 + data.rot_score = ( + torch.from_numpy(so3.score_vec(vec=rot_update, eps=rot_sigma)) + .float() + .unsqueeze(0) + ) + data.tor_score = ( + None + if self.no_torsion + else torch.from_numpy(torus.score(torsion_updates, tor_sigma)).float() + ) + data.tor_sigma_edge = ( + None + if self.no_torsion + else np.ones(data["ligand"].edge_mask.sum()) * tor_sigma + ) return data class PDBBind(Dataset): - def __init__(self, root, transform=None, cache_path='data/cache', split_path='data/', limit_complexes=0, - receptor_radius=30, num_workers=1, c_alpha_max_neighbors=None, popsize=15, maxiter=15, - matching=True, keep_original=False, max_lig_size=None, remove_hs=False, num_conformers=1, all_atoms=False, - atom_radius=5, atom_max_neighbors=None, esm_embeddings_path=None, require_ligand=False, - ligands_list=None, protein_path_list=None, ligand_descriptions=None, keep_local_structures=False): + def __init__( + self, + root, + transform=None, + cache_path="data/cache", + split_path="data/", + limit_complexes=0, + receptor_radius=30, + num_workers=1, + c_alpha_max_neighbors=None, + popsize=15, + maxiter=15, + matching=True, + keep_original=False, + max_lig_size=None, + remove_hs=False, + num_conformers=1, + all_atoms=False, + atom_radius=5, + atom_max_neighbors=None, + esm_embeddings_path=None, + require_ligand=False, + ligands_list=None, + protein_path_list=None, + ligand_descriptions=None, + keep_local_structures=False, + ): super(PDBBind, self).__init__(root, transform) self.pdbbind_dir = root @@ -75,37 +137,67 @@ class PDBBind(Dataset): self.protein_path_list = protein_path_list self.ligand_descriptions = ligand_descriptions self.keep_local_structures = keep_local_structures - if matching or protein_path_list is not None and ligand_descriptions is not None: - cache_path += '_torsion' + if ( + matching + or protein_path_list is not None + and ligand_descriptions is not None + ): + cache_path += "_torsion" if all_atoms: - cache_path += '_allatoms' - self.full_cache_path = os.path.join(cache_path, f'limit{self.limit_complexes}' - f'_INDEX{os.path.splitext(os.path.basename(self.split_path))[0]}' - f'_maxLigSize{self.max_lig_size}_H{int(not self.remove_hs)}' - f'_recRad{self.receptor_radius}_recMax{self.c_alpha_max_neighbors}' - + ('' if not all_atoms else f'_atomRad{atom_radius}_atomMax{atom_max_neighbors}') - + ('' if not matching or num_conformers == 1 else f'_confs{num_conformers}') - + ('' if self.esm_embeddings_path is None else f'_esmEmbeddings') - + ('' if not keep_local_structures else f'_keptLocalStruct') - + ('' if protein_path_list is None or ligand_descriptions is None else str(binascii.crc32(''.join(ligand_descriptions + protein_path_list).encode())))) + cache_path += "_allatoms" + self.full_cache_path = os.path.join( + cache_path, + f"limit{self.limit_complexes}" + f"_INDEX{os.path.splitext(os.path.basename(self.split_path))[0]}" + f"_maxLigSize{self.max_lig_size}_H{int(not self.remove_hs)}" + f"_recRad{self.receptor_radius}_recMax{self.c_alpha_max_neighbors}" + + ( + "" + if not all_atoms + else f"_atomRad{atom_radius}_atomMax{atom_max_neighbors}" + ) + + ("" if not matching or num_conformers == 1 else f"_confs{num_conformers}") + + ("" if self.esm_embeddings_path is None else f"_esmEmbeddings") + + ("" if not keep_local_structures else f"_keptLocalStruct") + + ( + "" + if protein_path_list is None or ligand_descriptions is None + else str( + binascii.crc32( + "".join(ligand_descriptions + protein_path_list).encode() + ) + ) + ), + ) self.popsize, self.maxiter = popsize, maxiter self.matching, self.keep_original = matching, keep_original self.num_conformers = num_conformers self.all_atoms = all_atoms self.atom_radius, self.atom_max_neighbors = atom_radius, atom_max_neighbors - if not os.path.exists(os.path.join(self.full_cache_path, "heterographs.pkl"))\ - or (require_ligand and not os.path.exists(os.path.join(self.full_cache_path, "rdkit_ligands.pkl"))): + if not os.path.exists( + os.path.join(self.full_cache_path, "heterographs.pkl") + ) or ( + require_ligand + and not os.path.exists( + os.path.join(self.full_cache_path, "rdkit_ligands.pkl") + ) + ): os.makedirs(self.full_cache_path, exist_ok=True) if protein_path_list is None or ligand_descriptions is None: self.preprocessing() else: self.inference_preprocessing() - print('loading data from memory: ', os.path.join(self.full_cache_path, "heterographs.pkl")) - with open(os.path.join(self.full_cache_path, "heterographs.pkl"), 'rb') as f: + print( + "loading data from memory: ", + os.path.join(self.full_cache_path, "heterographs.pkl"), + ) + with open(os.path.join(self.full_cache_path, "heterographs.pkl"), "rb") as f: self.complex_graphs = pickle.load(f) if require_ligand: - with open(os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), 'rb') as f: + with open( + os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), "rb" + ) as f: self.rdkit_ligands = pickle.load(f) print_statistics(self.complex_graphs) @@ -122,18 +214,20 @@ class PDBBind(Dataset): return copy.deepcopy(self.complex_graphs[idx]) def preprocessing(self): - print(f'Processing complexes from [{self.split_path}] and saving it to [{self.full_cache_path}]') + print( + f"Processing complexes from [{self.split_path}] and saving it to [{self.full_cache_path}]" + ) complex_names_all = read_strings_from_txt(self.split_path) if self.limit_complexes is not None and self.limit_complexes != 0: - complex_names_all = complex_names_all[:self.limit_complexes] - print(f'Loading {len(complex_names_all)} complexes.') + complex_names_all = complex_names_all[: self.limit_complexes] + print(f"Loading {len(complex_names_all)} complexes.") if self.esm_embeddings_path is not None: id_to_embeddings = torch.load(self.esm_embeddings_path) chain_embeddings_dictlist = defaultdict(list) for key, embedding in id_to_embeddings.items(): - key_name = key.split('_')[0] + key_name = key.split("_")[0] if key_name in complex_names_all: chain_embeddings_dictlist[key_name].append(embedding) lm_embeddings_chains_all = [] @@ -144,58 +238,98 @@ class PDBBind(Dataset): if self.num_workers > 1: # running preprocessing in parallel on multiple workers and saving the progress every 1000 complexes - for i in range(len(complex_names_all)//1000+1): - if os.path.exists(os.path.join(self.full_cache_path, f"heterographs{i}.pkl")): + for i in range(len(complex_names_all) // 1000 + 1): + if os.path.exists( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl") + ): continue - complex_names = complex_names_all[1000*i:1000*(i+1)] - lm_embeddings_chains = lm_embeddings_chains_all[1000*i:1000*(i+1)] + complex_names = complex_names_all[1000 * i : 1000 * (i + 1)] + lm_embeddings_chains = lm_embeddings_chains_all[ + 1000 * i : 1000 * (i + 1) + ] complex_graphs, rdkit_ligands = [], [] if self.num_workers > 1: p = Pool(self.num_workers, maxtasksperchild=1) p.__enter__() - with tqdm(total=len(complex_names), desc=f'loading complexes {i}/{len(complex_names_all)//1000+1}') as pbar: + with tqdm( + total=len(complex_names), + desc=f"loading complexes {i}/{len(complex_names_all)//1000+1}", + ) as pbar: map_fn = p.imap_unordered if self.num_workers > 1 else map - for t in map_fn(self.get_complex, zip(complex_names, lm_embeddings_chains, [None] * len(complex_names), [None] * len(complex_names))): + for t in map_fn( + self.get_complex, + zip( + complex_names, + lm_embeddings_chains, + [None] * len(complex_names), + [None] * len(complex_names), + ), + ): complex_graphs.extend(t[0]) rdkit_ligands.extend(t[1]) pbar.update() - if self.num_workers > 1: p.__exit__(None, None, None) + if self.num_workers > 1: + p.__exit__(None, None, None) - with open(os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), "wb" + ) as f: pickle.dump((complex_graphs), f) - with open(os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands), f) complex_graphs_all = [] - for i in range(len(complex_names_all)//1000+1): - with open(os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), 'rb') as f: + for i in range(len(complex_names_all) // 1000 + 1): + with open( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), "rb" + ) as f: l = pickle.load(f) complex_graphs_all.extend(l) - with open(os.path.join(self.full_cache_path, f"heterographs.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"heterographs.pkl"), "wb" + ) as f: pickle.dump((complex_graphs_all), f) rdkit_ligands_all = [] for i in range(len(complex_names_all) // 1000 + 1): - with open(os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), 'rb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), "rb" + ) as f: l = pickle.load(f) rdkit_ligands_all.extend(l) - with open(os.path.join(self.full_cache_path, f"rdkit_ligands.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands_all), f) else: complex_graphs, rdkit_ligands = [], [] - with tqdm(total=len(complex_names_all), desc='loading complexes') as pbar: - for t in map(self.get_complex, zip(complex_names_all, lm_embeddings_chains_all, [None] * len(complex_names_all), [None] * len(complex_names_all))): + with tqdm(total=len(complex_names_all), desc="loading complexes") as pbar: + for t in map( + self.get_complex, + zip( + complex_names_all, + lm_embeddings_chains_all, + [None] * len(complex_names_all), + [None] * len(complex_names_all), + ), + ): complex_graphs.extend(t[0]) rdkit_ligands.extend(t[1]) pbar.update() - with open(os.path.join(self.full_cache_path, "heterographs.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, "heterographs.pkl"), "wb" + ) as f: pickle.dump((complex_graphs), f) - with open(os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands), f) def inference_preprocessing(self): ligands_list = [] - print('Reading molecules and generating local structures with RDKit') + print("Reading molecules and generating local structures with RDKit") for ligand_description in tqdm(self.ligand_descriptions): mol = MolFromSmiles(ligand_description) # check if it is a smiles or a path if mol is not None: @@ -211,70 +345,126 @@ class PDBBind(Dataset): ligands_list.append(mol) if self.esm_embeddings_path is not None: - print('Reading language model embeddings.') + print("Reading language model embeddings.") lm_embeddings_chains_all = [] - if not os.path.exists(self.esm_embeddings_path): raise Exception('ESM embeddings path does not exist: ',self.esm_embeddings_path) + if not os.path.exists(self.esm_embeddings_path): + raise Exception( + "ESM embeddings path does not exist: ", self.esm_embeddings_path + ) for protein_path in self.protein_path_list: - embeddings_paths = sorted(glob.glob(os.path.join(self.esm_embeddings_path, os.path.basename(protein_path)) + '*')) + embeddings_paths = sorted( + glob.glob( + os.path.join( + self.esm_embeddings_path, os.path.basename(protein_path) + ) + + "*" + ) + ) lm_embeddings_chains = [] for embeddings_path in embeddings_paths: - lm_embeddings_chains.append(torch.load(embeddings_path)['representations'][33]) + lm_embeddings_chains.append( + torch.load(embeddings_path)["representations"][33] + ) lm_embeddings_chains_all.append(lm_embeddings_chains) else: lm_embeddings_chains_all = [None] * len(self.protein_path_list) - print('Generating graphs for ligands and proteins') + print("Generating graphs for ligands and proteins") if self.num_workers > 1: # running preprocessing in parallel on multiple workers and saving the progress every 1000 complexes - for i in range(len(self.protein_path_list)//1000+1): - if os.path.exists(os.path.join(self.full_cache_path, f"heterographs{i}.pkl")): + for i in range(len(self.protein_path_list) // 1000 + 1): + if os.path.exists( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl") + ): continue - protein_paths_chunk = self.protein_path_list[1000*i:1000*(i+1)] - ligand_description_chunk = self.ligand_descriptions[1000*i:1000*(i+1)] - ligands_chunk = ligands_list[1000 * i:1000 * (i + 1)] - lm_embeddings_chains = lm_embeddings_chains_all[1000*i:1000*(i+1)] + protein_paths_chunk = self.protein_path_list[1000 * i : 1000 * (i + 1)] + ligand_description_chunk = self.ligand_descriptions[ + 1000 * i : 1000 * (i + 1) + ] + ligands_chunk = ligands_list[1000 * i : 1000 * (i + 1)] + lm_embeddings_chains = lm_embeddings_chains_all[ + 1000 * i : 1000 * (i + 1) + ] complex_graphs, rdkit_ligands = [], [] if self.num_workers > 1: p = Pool(self.num_workers, maxtasksperchild=1) p.__enter__() - with tqdm(total=len(protein_paths_chunk), desc=f'loading complexes {i}/{len(protein_paths_chunk)//1000+1}') as pbar: + with tqdm( + total=len(protein_paths_chunk), + desc=f"loading complexes {i}/{len(protein_paths_chunk)//1000+1}", + ) as pbar: map_fn = p.imap_unordered if self.num_workers > 1 else map - for t in map_fn(self.get_complex, zip(protein_paths_chunk, lm_embeddings_chains, ligands_chunk,ligand_description_chunk)): + for t in map_fn( + self.get_complex, + zip( + protein_paths_chunk, + lm_embeddings_chains, + ligands_chunk, + ligand_description_chunk, + ), + ): complex_graphs.extend(t[0]) rdkit_ligands.extend(t[1]) pbar.update() - if self.num_workers > 1: p.__exit__(None, None, None) + if self.num_workers > 1: + p.__exit__(None, None, None) - with open(os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), "wb" + ) as f: pickle.dump((complex_graphs), f) - with open(os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands), f) complex_graphs_all = [] - for i in range(len(self.protein_path_list)//1000+1): - with open(os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), 'rb') as f: + for i in range(len(self.protein_path_list) // 1000 + 1): + with open( + os.path.join(self.full_cache_path, f"heterographs{i}.pkl"), "rb" + ) as f: l = pickle.load(f) complex_graphs_all.extend(l) - with open(os.path.join(self.full_cache_path, f"heterographs.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"heterographs.pkl"), "wb" + ) as f: pickle.dump((complex_graphs_all), f) rdkit_ligands_all = [] for i in range(len(self.protein_path_list) // 1000 + 1): - with open(os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), 'rb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands{i}.pkl"), "rb" + ) as f: l = pickle.load(f) rdkit_ligands_all.extend(l) - with open(os.path.join(self.full_cache_path, f"rdkit_ligands.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, f"rdkit_ligands.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands_all), f) else: complex_graphs, rdkit_ligands = [], [] - with tqdm(total=len(self.protein_path_list), desc='loading complexes') as pbar: - for t in map(self.get_complex, zip(self.protein_path_list, lm_embeddings_chains_all, ligands_list, self.ligand_descriptions)): + with tqdm( + total=len(self.protein_path_list), desc="loading complexes" + ) as pbar: + for t in map( + self.get_complex, + zip( + self.protein_path_list, + lm_embeddings_chains_all, + ligands_list, + self.ligand_descriptions, + ), + ): complex_graphs.extend(t[0]) rdkit_ligands.extend(t[1]) pbar.update() - with open(os.path.join(self.full_cache_path, "heterographs.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, "heterographs.pkl"), "wb" + ) as f: pickle.dump((complex_graphs), f) - with open(os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), 'wb') as f: + with open( + os.path.join(self.full_cache_path, "rdkit_ligands.pkl"), "wb" + ) as f: pickle.dump((rdkit_ligands), f) def get_complex(self, par): @@ -285,51 +475,94 @@ class PDBBind(Dataset): if ligand is not None: rec_model = parse_pdb_from_path(name) - name = f'{name}____{ligand_description}' + name = f"{name}____{ligand_description}" ligs = [ligand] else: try: rec_model = parse_receptor(name, self.pdbbind_dir) except Exception as e: - print(f'Skipping {name} because of the error:') + print(f"Skipping {name} because of the error:") print(e) return [], [] ligs = read_mols(self.pdbbind_dir, name, remove_hs=False) complex_graphs = [] for i, lig in enumerate(ligs): - if self.max_lig_size is not None and lig.GetNumHeavyAtoms() > self.max_lig_size: - print(f'Ligand with {lig.GetNumHeavyAtoms()} heavy atoms is larger than max_lig_size {self.max_lig_size}. Not including {name} in preprocessed data.') + if ( + self.max_lig_size is not None + and lig.GetNumHeavyAtoms() > self.max_lig_size + ): + print( + f"Ligand with {lig.GetNumHeavyAtoms()} heavy atoms is larger than max_lig_size {self.max_lig_size}. Not including {name} in preprocessed data." + ) continue complex_graph = HeteroData() - complex_graph['name'] = name + complex_graph["name"] = name try: - get_lig_graph_with_matching(lig, complex_graph, self.popsize, self.maxiter, self.matching, self.keep_original, - self.num_conformers, remove_hs=self.remove_hs) - rec, rec_coords, c_alpha_coords, n_coords, c_coords, lm_embeddings = extract_receptor_structure(copy.deepcopy(rec_model), lig, lm_embedding_chains=lm_embedding_chains) - if lm_embeddings is not None and len(c_alpha_coords) != len(lm_embeddings): - print(f'LM embeddings for complex {name} did not have the right length for the protein. Skipping {name}.') + get_lig_graph_with_matching( + lig, + complex_graph, + self.popsize, + self.maxiter, + self.matching, + self.keep_original, + self.num_conformers, + remove_hs=self.remove_hs, + ) + print(lm_embedding_chains) + ( + rec, + rec_coords, + c_alpha_coords, + n_coords, + c_coords, + lm_embeddings, + ) = extract_receptor_structure( + copy.deepcopy(rec_model), + lig, + lm_embedding_chains=lm_embedding_chains, + ) + if lm_embeddings is not None and len(c_alpha_coords) != len( + lm_embeddings + ): + print( + f"LM embeddings for complex {name} did not have the right length for the protein. Skipping {name}." + ) continue - get_rec_graph(rec, rec_coords, c_alpha_coords, n_coords, c_coords, complex_graph, rec_radius=self.receptor_radius, - c_alpha_max_neighbors=self.c_alpha_max_neighbors, all_atoms=self.all_atoms, - atom_radius=self.atom_radius, atom_max_neighbors=self.atom_max_neighbors, remove_hs=self.remove_hs, lm_embeddings=lm_embeddings) + get_rec_graph( + rec, + rec_coords, + c_alpha_coords, + n_coords, + c_coords, + complex_graph, + rec_radius=self.receptor_radius, + c_alpha_max_neighbors=self.c_alpha_max_neighbors, + all_atoms=self.all_atoms, + atom_radius=self.atom_radius, + atom_max_neighbors=self.atom_max_neighbors, + remove_hs=self.remove_hs, + lm_embeddings=lm_embeddings, + ) except Exception as e: - print(f'Skipping {name} because of the error:') + print(f"Skipping {name} because of the error:") print(e) raise e continue - protein_center = torch.mean(complex_graph['receptor'].pos, dim=0, keepdim=True) - complex_graph['receptor'].pos -= protein_center + protein_center = torch.mean( + complex_graph["receptor"].pos, dim=0, keepdim=True + ) + complex_graph["receptor"].pos -= protein_center if self.all_atoms: - complex_graph['atom'].pos -= protein_center + complex_graph["atom"].pos -= protein_center if (not self.matching) or self.num_conformers == 1: - complex_graph['ligand'].pos -= protein_center + complex_graph["ligand"].pos -= protein_center else: - for p in complex_graph['ligand'].pos: + for p in complex_graph["ligand"].pos: p -= protein_center complex_graph.original_center = protein_center @@ -341,11 +574,18 @@ def print_statistics(complex_graphs): statistics = ([], [], [], []) for complex_graph in complex_graphs: - lig_pos = complex_graph['ligand'].pos if torch.is_tensor(complex_graph['ligand'].pos) else complex_graph['ligand'].pos[0] - radius_protein = torch.max(torch.linalg.vector_norm(complex_graph['receptor'].pos, dim=1)) + lig_pos = ( + complex_graph["ligand"].pos + if torch.is_tensor(complex_graph["ligand"].pos) + else complex_graph["ligand"].pos[0] + ) + radius_protein = torch.max( + torch.linalg.vector_norm(complex_graph["receptor"].pos, dim=1) + ) molecule_center = torch.mean(lig_pos, dim=0) radius_molecule = torch.max( - torch.linalg.vector_norm(lig_pos - molecule_center.unsqueeze(0), dim=1)) + torch.linalg.vector_norm(lig_pos - molecule_center.unsqueeze(0), dim=1) + ) distance_center = torch.linalg.vector_norm(molecule_center) statistics[0].append(radius_protein) statistics[1].append(radius_molecule) @@ -355,52 +595,111 @@ def print_statistics(complex_graphs): else: statistics[3].append(0) - name = ['radius protein', 'radius molecule', 'distance protein-mol', 'rmsd matching'] - print('Number of complexes: ', len(complex_graphs)) + name = [ + "radius protein", + "radius molecule", + "distance protein-mol", + "rmsd matching", + ] + print("Number of complexes: ", len(complex_graphs)) for i in range(4): array = np.asarray(statistics[i]) - print(f"{name[i]}: mean {np.mean(array)}, std {np.std(array)}, max {np.max(array)}") + print( + f"{name[i]}: mean {np.mean(array)}, std {np.std(array)}, max {np.max(array)}" + ) def construct_loader(args, t_to_sigma): - transform = NoiseTransform(t_to_sigma=t_to_sigma, no_torsion=args.no_torsion, - all_atom=args.all_atoms) - - common_args = {'transform': transform, 'root': args.data_dir, 'limit_complexes': args.limit_complexes, - 'receptor_radius': args.receptor_radius, - 'c_alpha_max_neighbors': args.c_alpha_max_neighbors, - 'remove_hs': args.remove_hs, 'max_lig_size': args.max_lig_size, - 'matching': not args.no_torsion, 'popsize': args.matching_popsize, 'maxiter': args.matching_maxiter, - 'num_workers': args.num_workers, 'all_atoms': args.all_atoms, - 'atom_radius': args.atom_radius, 'atom_max_neighbors': args.atom_max_neighbors, - 'esm_embeddings_path': args.esm_embeddings_path} - - train_dataset = PDBBind(cache_path=args.cache_path, split_path=args.split_train, keep_original=True, - num_conformers=args.num_conformers, **common_args) - val_dataset = PDBBind(cache_path=args.cache_path, split_path=args.split_val, keep_original=True, **common_args) + transform = NoiseTransform( + t_to_sigma=t_to_sigma, no_torsion=args.no_torsion, all_atom=args.all_atoms + ) + + common_args = { + "transform": transform, + "root": args.data_dir, + "limit_complexes": args.limit_complexes, + "receptor_radius": args.receptor_radius, + "c_alpha_max_neighbors": args.c_alpha_max_neighbors, + "remove_hs": args.remove_hs, + "max_lig_size": args.max_lig_size, + "matching": not args.no_torsion, + "popsize": args.matching_popsize, + "maxiter": args.matching_maxiter, + "num_workers": args.num_workers, + "all_atoms": args.all_atoms, + "atom_radius": args.atom_radius, + "atom_max_neighbors": args.atom_max_neighbors, + "esm_embeddings_path": args.esm_embeddings_path, + } + + train_dataset = PDBBind( + cache_path=args.cache_path, + split_path=args.split_train, + keep_original=True, + num_conformers=args.num_conformers, + **common_args, + ) + val_dataset = PDBBind( + cache_path=args.cache_path, + split_path=args.split_val, + keep_original=True, + **common_args, + ) loader_class = DataListLoader if torch.cuda.is_available() else DataLoader - train_loader = loader_class(dataset=train_dataset, batch_size=args.batch_size, num_workers=args.num_dataloader_workers, shuffle=True, pin_memory=args.pin_memory) - val_loader = loader_class(dataset=val_dataset, batch_size=args.batch_size, num_workers=args.num_dataloader_workers, shuffle=True, pin_memory=args.pin_memory) + train_loader = loader_class( + dataset=train_dataset, + batch_size=args.batch_size, + num_workers=args.num_dataloader_workers, + shuffle=True, + pin_memory=args.pin_memory, + ) + val_loader = loader_class( + dataset=val_dataset, + batch_size=args.batch_size, + num_workers=args.num_dataloader_workers, + shuffle=True, + pin_memory=args.pin_memory, + ) return train_loader, val_loader def read_mol(pdbbind_dir, name, remove_hs=False): - lig = read_molecule(os.path.join(pdbbind_dir, name, f'{name}_ligand.sdf'), remove_hs=remove_hs, sanitize=True) + lig = read_molecule( + os.path.join(pdbbind_dir, name, f"{name}_ligand.sdf"), + remove_hs=remove_hs, + sanitize=True, + ) if lig is None: # read mol2 file if sdf file cannot be sanitized - lig = read_molecule(os.path.join(pdbbind_dir, name, f'{name}_ligand.mol2'), remove_hs=remove_hs, sanitize=True) + lig = read_molecule( + os.path.join(pdbbind_dir, name, f"{name}_ligand.mol2"), + remove_hs=remove_hs, + sanitize=True, + ) return lig def read_mols(pdbbind_dir, name, remove_hs=False): ligs = [] for file in os.listdir(os.path.join(pdbbind_dir, name)): - if file.endswith(".sdf") and 'rdkit' not in file: - lig = read_molecule(os.path.join(pdbbind_dir, name, file), remove_hs=remove_hs, sanitize=True) - if lig is None and os.path.exists(os.path.join(pdbbind_dir, name, file[:-4] + ".mol2")): # read mol2 file if sdf file cannot be sanitized - print('Using the .sdf file failed. We found a .mol2 file instead and are trying to use that.') - lig = read_molecule(os.path.join(pdbbind_dir, name, file[:-4] + ".mol2"), remove_hs=remove_hs, sanitize=True) + if file.endswith(".sdf") and "rdkit" not in file: + lig = read_molecule( + os.path.join(pdbbind_dir, name, file), + remove_hs=remove_hs, + sanitize=True, + ) + if lig is None and os.path.exists( + os.path.join(pdbbind_dir, name, file[:-4] + ".mol2") + ): # read mol2 file if sdf file cannot be sanitized + print( + "Using the .sdf file failed. We found a .mol2 file instead and are trying to use that." + ) + lig = read_molecule( + os.path.join(pdbbind_dir, name, file[:-4] + ".mol2"), + remove_hs=remove_hs, + sanitize=True, + ) if lig is not None: ligs.append(lig) - return ligs \ No newline at end of file + return ligs diff --git a/datasets/process_mols.py b/datasets/process_mols.py index c182d107d79f84e4e8a0044e545a07320a8aeeff..dea50723324e51ebd20d557544ff1c10f895e029 100644 --- a/datasets/process_mols.py +++ b/datasets/process_mols.py @@ -490,8 +490,10 @@ def read_molecule(molecule_file, sanitize=False, calc_charges=False, remove_hs=F if molecule_file.endswith('.mol2'): mol = Chem.MolFromMol2File(molecule_file, sanitize=False, removeHs=False) elif molecule_file.endswith('.sdf'): + print(molecule_file) supplier = Chem.SDMolSupplier(molecule_file, sanitize=False, removeHs=False) mol = supplier[0] + print(mol) elif molecule_file.endswith('.pdbqt'): with open(molecule_file) as file: pdbqt_data = file.readlines() @@ -505,6 +507,8 @@ def read_molecule(molecule_file, sanitize=False, calc_charges=False, remove_hs=F return ValueError('Expect the format of the molecule_file to be ' 'one of .mol2, .sdf, .pdbqt and .pdb, got {}'.format(molecule_file)) + print(sanitize, calc_charges, remove_hs) + try: if sanitize or calc_charges: Chem.SanitizeMol(mol) @@ -518,7 +522,8 @@ def read_molecule(molecule_file, sanitize=False, calc_charges=False, remove_hs=F if remove_hs: mol = Chem.RemoveHs(mol, sanitize=sanitize) - except: + except Exception as e: + print(e) return None return mol diff --git a/examples/1a46_ligand.sdf b/examples/1a46_ligand.sdf new file mode 100644 index 0000000000000000000000000000000000000000..57b0e81d063ef6dd3c8c0879af9db46f801ac688 --- /dev/null +++ b/examples/1a46_ligand.sdf @@ -0,0 +1,179 @@ +1a46_ligand + -I-interpret- + + 85 88 0 0 0 0 0 0 0 0999 V2000 + 17.8330 -13.0420 21.6620 C 0 0 0 0 0 + 18.8870 -13.0710 20.5870 C 0 0 0 0 0 + 19.8510 -14.2200 21.1170 C 0 0 0 0 0 + 19.3270 -16.4440 22.1560 C 0 0 0 0 0 + 18.1340 -17.2300 22.7620 C 0 0 0 0 0 + 17.2230 -16.3290 23.5970 C 0 0 0 0 0 + 17.0320 -14.9230 23.0460 C 0 0 0 0 0 + 18.8520 -15.2420 21.4440 N 0 3 0 0 0 + 17.7750 -14.5090 22.0480 N 0 0 0 0 0 + 15.9850 -14.2900 23.3800 O 0 0 0 0 0 + 16.6380 -13.0610 20.7550 C 0 0 0 0 0 + 16.4620 -13.9620 19.8370 O 0 0 0 0 0 + 15.8090 -16.7300 23.6610 N 0 3 0 0 0 + 17.4150 -16.4170 25.1230 C 0 0 0 0 0 + 18.7640 -15.9840 25.5820 C 0 0 0 0 0 + 19.0510 -14.6340 25.7600 C 0 0 0 0 0 + 20.3910 -14.2520 26.0760 C 0 0 0 0 0 + 21.4290 -15.1780 26.2150 C 0 0 0 0 0 + 21.0990 -16.5480 26.0980 C 0 0 0 0 0 + 19.7890 -16.9510 25.7560 C 0 0 0 0 0 + 15.6470 -12.0890 20.7690 N 0 0 0 0 0 + 14.4940 -11.8920 19.9090 C 0 0 0 0 0 + 14.4960 -10.9450 18.7130 C 0 0 0 0 0 + 13.3800 -10.6840 18.0770 O 0 0 0 0 0 + 13.1950 -11.6150 20.6280 C 0 0 0 0 0 + 12.8670 -12.5040 21.7570 C 0 0 0 0 0 + 11.5610 -12.2200 22.4370 C 0 0 0 0 0 + 11.1700 -13.3510 23.3530 C 0 0 0 0 0 + 10.0380 -13.1110 24.2350 N 0 3 0 0 0 + 14.8040 -11.9210 16.4570 N 0 0 0 0 0 + 15.3450 -11.4350 17.5510 C 0 0 0 0 0 + 16.4740 -11.0890 17.7310 O 0 0 0 0 0 + 15.6510 -12.3330 15.3350 C 0 0 0 0 0 + 16.0390 -13.7960 15.2500 C 0 0 0 0 0 + 14.9560 -14.6030 14.5390 C 0 0 0 0 0 + 14.5990 -13.9990 13.1800 C 0 0 0 0 0 + 14.1680 -12.5610 13.3540 C 0 0 0 0 0 + 15.2770 -11.7400 13.9980 C 0 0 0 0 0 + 17.9332 -12.2994 22.4536 H 0 0 0 0 0 + 19.3882 -12.1140 20.4420 H 0 0 0 0 0 + 18.4882 -13.2617 19.5906 H 0 0 0 0 0 + 20.4926 -13.9283 21.9484 H 0 0 0 0 0 + 20.6127 -14.5392 20.4056 H 0 0 0 0 0 + 19.8508 -17.0880 21.4496 H 0 0 0 0 0 + 19.9921 -16.1358 22.9627 H 0 0 0 0 0 + 18.5327 -18.0092 23.4116 H 0 0 0 0 0 + 17.5467 -17.6450 21.9429 H 0 0 0 0 0 + 18.5389 -15.7277 20.6035 H 0 0 0 0 0 + 15.7428 -17.6818 24.0216 H 0 0 0 0 0 + 15.3044 -16.0949 24.2794 H 0 0 0 0 0 + 15.4029 -16.6903 22.7262 H 0 0 0 0 0 + 17.2937 -17.4623 25.4072 H 0 0 0 0 0 + 16.6848 -15.7509 25.5825 H 0 0 0 0 0 + 18.2682 -13.8821 25.6602 H 0 0 0 0 0 + 20.6133 -13.1939 26.2145 H 0 0 0 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12.5291 H 0 0 0 0 0 + 13.2893 -12.5323 13.9983 H 0 0 0 0 0 + 13.9420 -12.1402 12.3742 H 0 0 0 0 0 + 16.1510 -11.7459 13.3467 H 0 0 0 0 0 + 14.9268 -10.7183 14.1449 H 0 0 0 0 0 + 2 1 1 0 0 0 + 1 9 1 0 0 0 + 1 11 1 0 0 0 + 3 2 1 0 0 0 + 8 3 1 0 0 0 + 4 5 1 0 0 0 + 4 8 1 0 0 0 + 5 6 1 0 0 0 + 6 7 1 0 0 0 + 6 13 1 0 0 0 + 6 14 1 0 0 0 + 7 9 1 0 0 0 + 7 10 2 0 0 0 + 8 9 1 0 0 0 + 11 12 2 0 0 0 + 11 21 1 0 0 0 + 14 15 1 0 0 0 + 15 16 4 0 0 0 + 15 20 4 0 0 0 + 16 17 4 0 0 0 + 17 18 4 0 0 0 + 18 19 4 0 0 0 + 19 20 4 0 0 0 + 21 22 1 0 0 0 + 22 23 1 0 0 0 + 22 25 1 0 0 0 + 23 24 1 0 0 0 + 23 31 1 0 0 0 + 25 26 1 0 0 0 + 26 27 1 0 0 0 + 27 28 1 0 0 0 + 28 29 1 0 0 0 + 31 30 1 0 0 0 + 30 33 1 0 0 0 + 31 32 2 0 0 0 + 33 34 1 0 0 0 + 33 38 1 0 0 0 + 34 35 1 0 0 0 + 35 36 1 0 0 0 + 36 37 1 0 0 0 + 37 38 1 0 0 0 + 1 39 1 0 0 0 + 2 40 1 0 0 0 + 2 41 1 0 0 0 + 3 42 1 0 0 0 + 3 43 1 0 0 0 + 4 44 1 0 0 0 + 4 45 1 0 0 0 + 5 46 1 0 0 0 + 5 47 1 0 0 0 + 8 48 1 0 0 0 + 13 49 1 0 0 0 + 13 50 1 0 0 0 + 13 51 1 0 0 0 + 14 52 1 0 0 0 + 14 53 1 0 0 0 + 16 54 1 0 0 0 + 17 55 1 0 0 0 + 18 56 1 0 0 0 + 19 57 1 0 0 0 + 20 58 1 0 0 0 + 21 59 1 0 0 0 + 22 60 1 0 0 0 + 23 61 1 0 0 0 + 24 62 1 0 0 0 + 25 63 1 0 0 0 + 25 64 1 0 0 0 + 26 65 1 0 0 0 + 26 66 1 0 0 0 + 27 67 1 0 0 0 + 27 68 1 0 0 0 + 28 69 1 0 0 0 + 28 70 1 0 0 0 + 29 71 1 0 0 0 + 29 72 1 0 0 0 + 29 73 1 0 0 0 + 30 74 1 0 0 0 + 33 75 1 0 0 0 + 34 76 1 0 0 0 + 34 77 1 0 0 0 + 35 78 1 0 0 0 + 35 79 1 0 0 0 + 36 80 1 0 0 0 + 36 81 1 0 0 0 + 37 82 1 0 0 0 + 37 83 1 0 0 0 + 38 84 1 0 0 0 + 38 85 1 0 0 0 +M END +$$$$ diff --git a/examples/1a46_protein_processed.pdb b/examples/1a46_protein_processed.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3402c94abfd90bf66f39590ddc40b3aca604f50f --- /dev/null +++ b/examples/1a46_protein_processed.pdb @@ -0,0 +1,4403 @@ +ATOM 1 N ASP L 1A 11.424 19.118 19.176 1.00 0.00 N +ATOM 2 CA ASP L 1A 10.023 18.678 19.000 1.00 0.00 C +ATOM 3 C ASP L 1A 9.715 17.186 19.299 1.00 0.00 C +ATOM 4 O ASP L 1A 8.604 16.677 19.041 1.00 0.00 O +ATOM 5 CB ASP L 1A 9.564 19.009 17.548 1.00 0.00 C +ATOM 6 CG ASP L 1A 8.089 19.437 17.718 1.00 0.00 C +ATOM 7 OD1 ASP L 1A 7.900 19.932 18.870 1.00 0.00 O +ATOM 8 OD2 ASP L 1A 7.240 19.218 16.855 1.00 0.00 O +ATOM 9 H1 ASP L 1A 11.567 19.854 18.697 1.00 0.00 H +ATOM 10 H2 ASP L 1A 11.576 19.290 20.036 1.00 0.00 H +ATOM 11 H3 ASP L 1A 11.974 18.475 18.901 1.00 0.00 H +ATOM 12 HA ASP L 1A 9.529 19.169 19.675 1.00 0.00 H +ATOM 13 HB2 ASP L 1A 10.098 19.719 17.159 1.00 0.00 H +ATOM 14 HB3 ASP L 1A 9.646 18.239 16.964 1.00 0.00 H +ATOM 15 N CYS L 1 10.700 16.522 19.871 1.00 0.00 N +ATOM 16 CA CYS L 1 10.695 15.102 20.216 1.00 0.00 C +ATOM 17 C CYS L 1 9.485 14.668 21.007 1.00 0.00 C +ATOM 18 O CYS L 1 9.013 15.340 21.912 1.00 0.00 O +ATOM 19 CB CYS L 1 12.051 14.675 20.826 1.00 0.00 C +ATOM 20 SG CYS L 1 12.404 14.990 22.551 1.00 0.00 S +ATOM 21 H CYS L 1 11.439 16.907 20.084 1.00 0.00 H +ATOM 22 HA CYS L 1 10.600 14.606 19.388 1.00 0.00 H +ATOM 23 HB2 CYS L 1 12.142 13.720 20.684 1.00 0.00 H +ATOM 24 HB3 CYS L 1 12.748 15.106 20.307 1.00 0.00 H +ATOM 25 N GLY L 2 9.061 13.434 20.699 1.00 0.00 N +ATOM 26 CA GLY L 2 8.010 12.821 21.532 1.00 0.00 C +ATOM 27 C GLY L 2 6.680 13.513 21.498 1.00 0.00 C +ATOM 28 O GLY L 2 5.780 13.013 22.246 1.00 0.00 O +ATOM 29 H GLY L 2 9.350 12.954 20.046 1.00 0.00 H +ATOM 30 HA2 GLY L 2 7.887 11.902 21.247 1.00 0.00 H +ATOM 31 HA3 GLY L 2 8.321 12.794 22.451 1.00 0.00 H +ATOM 32 N LEU L 3 6.451 14.493 20.609 1.00 0.00 N +ATOM 33 CA LEU L 3 5.061 15.066 20.469 1.00 0.00 C +ATOM 34 C LEU L 3 4.480 14.648 19.121 1.00 0.00 C +ATOM 35 O LEU L 3 4.967 15.090 18.053 1.00 0.00 O +ATOM 36 CB LEU L 3 5.124 16.574 20.618 1.00 0.00 C +ATOM 37 CG LEU L 3 5.515 17.132 21.944 1.00 0.00 C +ATOM 38 CD1 LEU L 3 5.908 18.612 21.752 1.00 0.00 C +ATOM 39 CD2 LEU L 3 4.404 16.956 22.995 1.00 0.00 C +ATOM 40 H LEU L 3 7.045 14.838 20.092 1.00 0.00 H +ATOM 41 HA LEU L 3 4.477 14.724 21.164 1.00 0.00 H +ATOM 42 HB2 LEU L 3 5.749 16.912 19.958 1.00 0.00 H +ATOM 43 HB3 LEU L 3 4.251 16.931 20.391 1.00 0.00 H +ATOM 44 HG LEU L 3 6.277 16.641 22.290 1.00 0.00 H +ATOM 45 HD11 LEU L 3 6.166 18.992 22.606 1.00 0.00 H +ATOM 46 HD12 LEU L 3 6.653 18.672 21.134 1.00 0.00 H +ATOM 47 HD13 LEU L 3 5.152 19.104 21.395 1.00 0.00 H +ATOM 48 HD21 LEU L 3 4.696 17.330 23.841 1.00 0.00 H +ATOM 49 HD22 LEU L 3 3.602 17.415 22.699 1.00 0.00 H +ATOM 50 HD23 LEU L 3 4.213 16.012 23.109 1.00 0.00 H +ATOM 51 N ARG L 4 3.474 13.752 19.171 1.00 0.00 N +ATOM 52 CA ARG L 4 3.013 13.180 17.873 1.00 0.00 C +ATOM 53 C ARG L 4 2.147 14.114 17.051 1.00 0.00 C +ATOM 54 O ARG L 4 1.028 14.480 17.507 1.00 0.00 O +ATOM 55 CB ARG L 4 2.234 11.834 18.172 1.00 0.00 C +ATOM 56 CG ARG L 4 3.072 10.707 18.806 1.00 0.00 C +ATOM 57 CD ARG L 4 2.312 9.528 19.334 1.00 0.00 C +ATOM 58 NE ARG L 4 1.421 9.863 20.414 1.00 0.00 N +ATOM 59 CZ ARG L 4 0.506 9.003 20.929 1.00 0.00 C +ATOM 60 NH1 ARG L 4 0.502 7.714 20.473 1.00 0.00 N +ATOM 61 NH2 ARG L 4 -0.365 9.397 21.820 1.00 0.00 N +ATOM 62 H ARG L 4 3.071 13.477 19.879 1.00 0.00 H +ATOM 63 HA ARG L 4 3.803 13.023 17.332 1.00 0.00 H +ATOM 64 HB2 ARG L 4 1.491 12.034 18.762 1.00 0.00 H +ATOM 65 HB3 ARG L 4 1.856 11.506 17.341 1.00 0.00 H +ATOM 66 HG2 ARG L 4 3.705 10.389 18.143 1.00 0.00 H +ATOM 67 HG3 ARG L 4 3.590 11.086 19.534 1.00 0.00 H +ATOM 68 HD2 ARG L 4 1.800 9.131 18.612 1.00 0.00 H +ATOM 69 HD3 ARG L 4 2.941 8.855 19.639 1.00 0.00 H +ATOM 70 HE ARG L 4 1.471 10.652 20.752 1.00 0.00 H +ATOM 71 HH11 ARG L 4 1.069 7.467 19.876 1.00 0.00 H +ATOM 72 HH12 ARG L 4 -0.068 7.150 20.784 1.00 0.00 H +ATOM 73 HH21 ARG L 4 -0.365 10.214 22.090 1.00 0.00 H +ATOM 74 HH22 ARG L 4 -0.938 8.840 22.137 1.00 0.00 H +ATOM 75 N PRO L 5 2.458 14.233 15.753 1.00 0.00 N +ATOM 76 CA PRO L 5 1.623 15.049 14.860 1.00 0.00 C +ATOM 77 C PRO L 5 0.168 14.687 14.867 1.00 0.00 C +ATOM 78 O PRO L 5 -0.635 15.667 14.943 1.00 0.00 O +ATOM 79 CB PRO L 5 2.278 14.980 13.499 1.00 0.00 C +ATOM 80 CG PRO L 5 3.597 14.311 13.665 1.00 0.00 C +ATOM 81 CD PRO L 5 3.672 13.804 15.115 1.00 0.00 C +ATOM 82 HA PRO L 5 1.589 15.966 15.174 1.00 0.00 H +ATOM 83 HB2 PRO L 5 1.721 14.485 12.878 1.00 0.00 H +ATOM 84 HB3 PRO L 5 2.392 15.870 13.131 1.00 0.00 H +ATOM 85 HG2 PRO L 5 3.688 13.575 13.040 1.00 0.00 H +ATOM 86 HG3 PRO L 5 4.320 14.931 13.481 1.00 0.00 H +ATOM 87 HD2 PRO L 5 3.754 12.838 15.140 1.00 0.00 H +ATOM 88 HD3 PRO L 5 4.449 14.167 15.569 1.00 0.00 H +ATOM 89 N LEU L 6 -0.309 13.457 15.063 1.00 0.00 N +ATOM 90 CA LEU L 6 -1.739 13.141 14.979 1.00 0.00 C +ATOM 91 C LEU L 6 -2.394 12.981 16.333 1.00 0.00 C +ATOM 92 O LEU L 6 -3.608 12.637 16.350 1.00 0.00 O +ATOM 93 CB LEU L 6 -1.918 11.900 14.091 1.00 0.00 C +ATOM 94 CG LEU L 6 -2.257 11.935 12.642 1.00 0.00 C +ATOM 95 CD1 LEU L 6 -1.967 13.222 11.878 1.00 0.00 C +ATOM 96 CD2 LEU L 6 -1.591 10.765 11.880 1.00 0.00 C +ATOM 97 H LEU L 6 0.188 12.780 15.249 1.00 0.00 H +ATOM 98 HA LEU L 6 -2.198 13.894 14.575 1.00 0.00 H +ATOM 99 HB2 LEU L 6 -1.090 11.400 14.160 1.00 0.00 H +ATOM 100 HB3 LEU L 6 -2.608 11.365 14.514 1.00 0.00 H +ATOM 101 HG LEU L 6 -3.224 11.862 12.665 1.00 0.00 H +ATOM 102 HD11 LEU L 6 -2.232 13.115 10.951 1.00 0.00 H +ATOM 103 HD12 LEU L 6 -2.466 13.953 12.274 1.00 0.00 H +ATOM 104 HD13 LEU L 6 -1.018 13.418 11.922 1.00 0.00 H +ATOM 105 HD21 LEU L 6 -1.829 10.813 10.941 1.00 0.00 H +ATOM 106 HD22 LEU L 6 -0.627 10.825 11.973 1.00 0.00 H +ATOM 107 HD23 LEU L 6 -1.899 9.922 12.248 1.00 0.00 H +ATOM 108 N PHE L 7 -1.650 13.162 17.404 1.00 0.00 N +ATOM 109 CA PHE L 7 -2.242 12.956 18.757 1.00 0.00 C +ATOM 110 C PHE L 7 -1.992 14.197 19.610 1.00 0.00 C +ATOM 111 O PHE L 7 -2.888 15.057 19.685 1.00 0.00 O +ATOM 112 CB PHE L 7 -1.684 11.639 19.385 1.00 0.00 C +ATOM 113 CG PHE L 7 -2.200 10.446 18.644 1.00 0.00 C +ATOM 114 CD1 PHE L 7 -3.454 9.917 18.947 1.00 0.00 C +ATOM 115 CD2 PHE L 7 -1.505 9.946 17.554 1.00 0.00 C +ATOM 116 CE1 PHE L 7 -3.972 8.870 18.170 1.00 0.00 C +ATOM 117 CE2 PHE L 7 -2.029 8.916 16.772 1.00 0.00 C +ATOM 118 CZ PHE L 7 -3.250 8.358 17.091 1.00 0.00 C +ATOM 119 H PHE L 7 -0.823 13.397 17.396 1.00 0.00 H +ATOM 120 HA PHE L 7 -3.204 12.843 18.701 1.00 0.00 H +ATOM 121 HB2 PHE L 7 -0.714 11.648 19.360 1.00 0.00 H +ATOM 122 HB3 PHE L 7 -1.943 11.584 20.318 1.00 0.00 H +ATOM 123 HD1 PHE L 7 -3.945 10.256 19.660 1.00 0.00 H +ATOM 124 HD2 PHE L 7 -0.674 10.304 17.340 1.00 0.00 H +ATOM 125 HE1 PHE L 7 -4.806 8.513 18.376 1.00 0.00 H +ATOM 126 HE2 PHE L 7 -1.555 8.605 16.035 1.00 0.00 H +ATOM 127 HZ PHE L 7 -3.588 7.649 16.593 1.00 0.00 H +ATOM 128 N GLU L 8 -0.821 14.370 20.220 1.00 0.00 N +ATOM 129 CA GLU L 8 -0.504 15.478 21.092 1.00 0.00 C +ATOM 130 C GLU L 8 -0.599 16.866 20.466 1.00 0.00 C +ATOM 131 O GLU L 8 -1.105 17.809 21.142 1.00 0.00 O +ATOM 132 CB GLU L 8 0.907 15.338 21.687 1.00 0.00 C +ATOM 133 CG GLU L 8 1.072 14.285 22.797 1.00 0.00 C +ATOM 134 CD GLU L 8 1.156 12.824 22.377 1.00 0.00 C +ATOM 135 OE1 GLU L 8 1.553 12.560 21.217 1.00 0.00 O +ATOM 136 OE2 GLU L 8 0.862 11.956 23.175 1.00 0.00 O +ATOM 137 H GLU L 8 -0.168 13.818 20.128 1.00 0.00 H +ATOM 138 HA GLU L 8 -1.194 15.422 21.772 1.00 0.00 H +ATOM 139 HB2 GLU L 8 1.522 15.123 20.968 1.00 0.00 H +ATOM 140 HB3 GLU L 8 1.176 16.200 22.041 1.00 0.00 H +ATOM 141 HG2 GLU L 8 1.876 14.499 23.295 1.00 0.00 H +ATOM 142 HG3 GLU L 8 0.326 14.377 23.410 1.00 0.00 H +ATOM 143 N LYS L 9 -0.116 17.013 19.244 1.00 0.00 N +ATOM 144 CA LYS L 9 -0.158 18.289 18.526 1.00 0.00 C +ATOM 145 C LYS L 9 -1.589 18.728 18.203 1.00 0.00 C +ATOM 146 O LYS L 9 -1.783 19.935 17.969 1.00 0.00 O +ATOM 147 CB LYS L 9 0.637 18.301 17.247 1.00 0.00 C +ATOM 148 CG LYS L 9 2.081 17.886 17.456 1.00 0.00 C +ATOM 149 CD LYS L 9 3.037 18.977 17.807 1.00 0.00 C +ATOM 150 CE LYS L 9 4.485 18.778 17.385 1.00 0.00 C +ATOM 151 NZ LYS L 9 4.745 17.629 16.472 1.00 0.00 N +ATOM 152 H LYS L 9 0.249 16.374 18.799 1.00 0.00 H +ATOM 153 HA LYS L 9 0.252 18.914 19.144 1.00 0.00 H +ATOM 154 HB2 LYS L 9 0.221 17.703 16.606 1.00 0.00 H +ATOM 155 HB3 LYS L 9 0.612 19.191 16.863 1.00 0.00 H +ATOM 156 HG2 LYS L 9 2.108 17.219 18.160 1.00 0.00 H +ATOM 157 HG3 LYS L 9 2.395 17.455 16.645 1.00 0.00 H +ATOM 158 HD2 LYS L 9 2.716 19.801 17.408 1.00 0.00 H +ATOM 159 HD3 LYS L 9 3.016 19.100 18.769 1.00 0.00 H +ATOM 160 HE2 LYS L 9 4.792 19.589 16.951 1.00 0.00 H +ATOM 161 HE3 LYS L 9 5.024 18.663 18.183 1.00 0.00 H +ATOM 162 HZ1 LYS L 9 5.616 17.447 16.464 1.00 0.00 H +ATOM 163 HZ2 LYS L 9 4.296 16.915 16.757 1.00 0.00 H +ATOM 164 HZ3 LYS L 9 4.478 17.837 15.649 1.00 0.00 H +ATOM 165 N LYS L 10 -2.583 17.854 18.268 1.00 0.00 N +ATOM 166 CA LYS L 10 -3.975 18.115 18.026 1.00 0.00 C +ATOM 167 C LYS L 10 -4.773 17.920 19.311 1.00 0.00 C +ATOM 168 O LYS L 10 -6.025 18.084 19.306 1.00 0.00 O +ATOM 169 CB LYS L 10 -4.569 17.166 17.026 1.00 0.00 C +ATOM 170 CG LYS L 10 -4.123 17.317 15.547 1.00 0.00 C +ATOM 171 CD LYS L 10 -4.602 16.071 14.828 1.00 0.00 C +ATOM 172 CE LYS L 10 -5.642 16.185 13.744 1.00 0.00 C +ATOM 173 NZ LYS L 10 -4.836 16.076 12.448 1.00 0.00 N +ATOM 174 H LYS L 10 -2.441 17.031 18.471 1.00 0.00 H +ATOM 175 HA LYS L 10 -4.023 19.025 17.693 1.00 0.00 H +ATOM 176 HB2 LYS L 10 -4.362 16.262 17.311 1.00 0.00 H +ATOM 177 HB3 LYS L 10 -5.534 17.260 17.059 1.00 0.00 H +ATOM 178 HG2 LYS L 10 -4.506 18.115 15.150 1.00 0.00 H +ATOM 179 HG3 LYS L 10 -3.159 17.404 15.484 1.00 0.00 H +ATOM 180 HD2 LYS L 10 -3.823 15.645 14.438 1.00 0.00 H +ATOM 181 HD3 LYS L 10 -4.950 15.465 15.500 1.00 0.00 H +ATOM 182 HE2 LYS L 10 -6.304 15.480 13.811 1.00 0.00 H +ATOM 183 HE3 LYS L 10 -6.119 17.028 13.796 1.00 0.00 H +ATOM 184 HZ1 LYS L 10 -5.387 15.917 11.768 1.00 0.00 H +ATOM 185 HZ2 LYS L 10 -4.400 16.839 12.304 1.00 0.00 H +ATOM 186 HZ3 LYS L 10 -4.251 15.409 12.517 1.00 0.00 H +ATOM 187 N SER L 11 -4.040 17.614 20.387 1.00 0.00 N +ATOM 188 CA SER L 11 -4.685 17.332 21.676 1.00 0.00 C +ATOM 189 C SER L 11 -5.644 16.168 21.577 1.00 0.00 C +ATOM 190 O SER L 11 -6.765 16.132 22.191 1.00 0.00 O +ATOM 191 CB SER L 11 -5.328 18.603 22.193 1.00 0.00 C +ATOM 192 OG SER L 11 -5.731 18.410 23.565 1.00 0.00 O +ATOM 193 H SER L 11 -3.181 17.565 20.393 1.00 0.00 H +ATOM 194 HA SER L 11 -4.019 17.052 22.323 1.00 0.00 H +ATOM 195 HB2 SER L 11 -4.704 19.343 22.129 1.00 0.00 H +ATOM 196 HB3 SER L 11 -6.097 18.833 21.649 1.00 0.00 H +ATOM 197 HG SER L 11 -6.265 17.763 23.612 1.00 0.00 H +ATOM 198 N LEU L 12 -5.263 15.114 20.786 1.00 0.00 N +ATOM 199 CA LEU L 12 -6.133 13.904 20.741 1.00 0.00 C +ATOM 200 C LEU L 12 -5.358 12.792 21.487 1.00 0.00 C +ATOM 201 O LEU L 12 -4.125 12.742 21.390 1.00 0.00 O +ATOM 202 CB LEU L 12 -6.430 13.539 19.282 1.00 0.00 C +ATOM 203 CG LEU L 12 -7.212 14.519 18.417 1.00 0.00 C +ATOM 204 CD1 LEU L 12 -7.293 14.048 16.993 1.00 0.00 C +ATOM 205 CD2 LEU L 12 -8.632 14.658 19.004 1.00 0.00 C +ATOM 206 H LEU L 12 -4.553 15.084 20.302 1.00 0.00 H +ATOM 207 HA LEU L 12 -6.994 14.044 21.166 1.00 0.00 H +ATOM 208 HB2 LEU L 12 -5.581 13.375 18.843 1.00 0.00 H +ATOM 209 HB3 LEU L 12 -6.915 12.699 19.284 1.00 0.00 H +ATOM 210 HG LEU L 12 -6.757 15.375 18.417 1.00 0.00 H +ATOM 211 HD11 LEU L 12 -7.795 14.690 16.468 1.00 0.00 H +ATOM 212 HD12 LEU L 12 -6.398 13.962 16.629 1.00 0.00 H +ATOM 213 HD13 LEU L 12 -7.738 13.187 16.962 1.00 0.00 H +ATOM 214 HD21 LEU L 12 -9.146 15.280 18.465 1.00 0.00 H +ATOM 215 HD22 LEU L 12 -9.069 13.792 19.003 1.00 0.00 H +ATOM 216 HD23 LEU L 12 -8.575 14.990 19.914 1.00 0.00 H +ATOM 217 N GLU L 13 -6.033 11.872 22.110 1.00 0.00 N +ATOM 218 CA GLU L 13 -5.417 10.765 22.842 1.00 0.00 C +ATOM 219 C GLU L 13 -5.541 9.445 22.072 1.00 0.00 C +ATOM 220 O GLU L 13 -6.651 9.285 21.526 1.00 0.00 O +ATOM 221 CB GLU L 13 -6.218 10.450 24.135 1.00 0.00 C +ATOM 222 CG GLU L 13 -6.243 11.587 25.130 1.00 0.00 C +ATOM 223 CD GLU L 13 -6.375 11.198 26.585 1.00 0.00 C +ATOM 224 OE1 GLU L 13 -7.165 10.243 26.813 1.00 0.00 O +ATOM 225 OE2 GLU L 13 -5.684 11.765 27.440 1.00 0.00 O +ATOM 226 H GLU L 13 -6.893 11.858 22.130 1.00 0.00 H +ATOM 227 HA GLU L 13 -4.500 11.042 22.995 1.00 0.00 H +ATOM 228 HB2 GLU L 13 -7.130 10.223 23.893 1.00 0.00 H +ATOM 229 HB3 GLU L 13 -5.834 9.667 24.561 1.00 0.00 H +ATOM 230 HG2 GLU L 13 -5.428 12.102 25.025 1.00 0.00 H +ATOM 231 HG3 GLU L 13 -6.981 12.174 24.903 1.00 0.00 H +ATOM 232 N ASP L 14 -4.567 8.555 22.200 1.00 0.00 N +ATOM 233 CA ASP L 14 -4.682 7.215 21.619 1.00 0.00 C +ATOM 234 C ASP L 14 -5.532 6.373 22.565 1.00 0.00 C +ATOM 235 O ASP L 14 -5.946 6.662 23.709 1.00 0.00 O +ATOM 236 CB ASP L 14 -3.384 6.690 21.098 1.00 0.00 C +ATOM 237 CG ASP L 14 -2.479 6.115 22.194 1.00 0.00 C +ATOM 238 OD1 ASP L 14 -3.092 5.444 23.048 1.00 0.00 O +ATOM 239 OD2 ASP L 14 -1.277 6.411 22.179 1.00 0.00 O +ATOM 240 H ASP L 14 -3.830 8.702 22.618 1.00 0.00 H +ATOM 241 HA ASP L 14 -5.171 7.201 20.781 1.00 0.00 H +ATOM 242 HB2 ASP L 14 -3.562 6.000 20.440 1.00 0.00 H +ATOM 243 HB3 ASP L 14 -2.914 7.404 20.641 1.00 0.00 H +ATOM 244 N LYS L 14A -6.032 5.257 21.928 1.00 0.00 N +ATOM 245 CA LYS L 14A -7.034 4.484 22.693 1.00 0.00 C +ATOM 246 C LYS L 14A -6.547 3.800 23.918 1.00 0.00 C +ATOM 247 O LYS L 14A -7.452 3.499 24.731 1.00 0.00 O +ATOM 248 CB LYS L 14A -7.993 3.677 21.849 1.00 0.00 C +ATOM 249 CG LYS L 14A -7.428 2.613 20.965 1.00 0.00 C +ATOM 250 H LYS L 14A -5.824 4.969 21.145 1.00 0.00 H +ATOM 251 HA LYS L 14A -7.587 5.188 23.067 1.00 0.00 H +ATOM 252 HB2 LYS L 14A -8.633 3.258 22.445 1.00 0.00 H +ATOM 253 HB3 LYS L 14A -8.489 4.295 21.290 1.00 0.00 H +ATOM 254 N THR L 14B -5.258 3.673 24.235 1.00 0.00 N +ATOM 255 CA THR L 14B -4.873 3.001 25.501 1.00 0.00 C +ATOM 256 C THR L 14B -3.868 3.842 26.278 1.00 0.00 C +ATOM 257 O THR L 14B -3.388 3.209 27.257 1.00 0.00 O +ATOM 258 CB THR L 14B -4.301 1.538 25.335 1.00 0.00 C +ATOM 259 OG1 THR L 14B -3.034 1.654 24.595 1.00 0.00 O +ATOM 260 CG2 THR L 14B -5.262 0.598 24.543 1.00 0.00 C +ATOM 261 H THR L 14B -4.603 3.956 23.755 1.00 0.00 H +ATOM 262 HA THR L 14B -5.706 2.915 25.991 1.00 0.00 H +ATOM 263 HB THR L 14B -4.187 1.147 26.215 1.00 0.00 H +ATOM 264 HG1 THR L 14B -2.840 0.911 24.254 1.00 0.00 H +ATOM 265 HG21 THR L 14B -4.865 -0.284 24.470 1.00 0.00 H +ATOM 266 HG22 THR L 14B -6.109 0.533 25.011 1.00 0.00 H +ATOM 267 HG23 THR L 14B -5.410 0.960 23.655 1.00 0.00 H +ATOM 268 N GLU L 14C -3.620 5.078 25.912 1.00 0.00 N +ATOM 269 CA GLU L 14C -2.602 5.818 26.680 1.00 0.00 C +ATOM 270 C GLU L 14C -3.007 6.036 28.115 1.00 0.00 C +ATOM 271 O GLU L 14C -2.096 6.138 28.980 1.00 0.00 O +ATOM 272 CB GLU L 14C -2.073 7.073 25.985 1.00 0.00 C +ATOM 273 CG GLU L 14C -3.162 8.141 25.660 1.00 0.00 C +ATOM 274 CD GLU L 14C -2.555 9.333 24.923 1.00 0.00 C +ATOM 275 OE1 GLU L 14C -2.010 10.046 25.764 1.00 0.00 O +ATOM 276 OE2 GLU L 14C -2.373 9.459 23.715 1.00 0.00 O +ATOM 277 H GLU L 14C -3.995 5.501 25.264 1.00 0.00 H +ATOM 278 HA GLU L 14C -1.829 5.233 26.709 1.00 0.00 H +ATOM 279 HB2 GLU L 14C -1.396 7.479 26.548 1.00 0.00 H +ATOM 280 HB3 GLU L 14C -1.636 6.812 25.159 1.00 0.00 H +ATOM 281 HG2 GLU L 14C -3.860 7.742 25.117 1.00 0.00 H +ATOM 282 HG3 GLU L 14C -3.580 8.443 26.482 1.00 0.00 H +ATOM 283 N ARG L 14D -4.255 6.123 28.489 1.00 0.00 N +ATOM 284 CA ARG L 14D -4.695 6.328 29.878 1.00 0.00 C +ATOM 285 C ARG L 14D -4.223 5.268 30.863 1.00 0.00 C +ATOM 286 O ARG L 14D -3.960 5.568 32.041 1.00 0.00 O +ATOM 287 CB ARG L 14D -6.225 6.461 29.947 1.00 0.00 C +ATOM 288 CG ARG L 14D -6.905 5.740 31.092 1.00 0.00 C +ATOM 289 CD ARG L 14D -7.508 4.408 30.742 1.00 0.00 C +ATOM 290 NE ARG L 14D -8.181 3.744 31.854 1.00 0.00 N +ATOM 291 CZ ARG L 14D -9.110 4.276 32.682 1.00 0.00 C +ATOM 292 NH1 ARG L 14D -9.481 5.572 32.677 1.00 0.00 N +ATOM 293 NH2 ARG L 14D -9.679 3.521 33.667 1.00 0.00 N +ATOM 294 H ARG L 14D -4.909 6.064 27.934 1.00 0.00 H +ATOM 295 HA ARG L 14D -4.269 7.154 30.156 1.00 0.00 H +ATOM 296 HB2 ARG L 14D -6.447 7.403 30.005 1.00 0.00 H +ATOM 297 HB3 ARG L 14D -6.598 6.132 29.114 1.00 0.00 H +ATOM 298 HG2 ARG L 14D -6.258 5.609 31.803 1.00 0.00 H +ATOM 299 HG3 ARG L 14D -7.604 6.312 31.446 1.00 0.00 H +ATOM 300 HD2 ARG L 14D -8.144 4.532 30.020 1.00 0.00 H +ATOM 301 HD3 ARG L 14D -6.808 3.826 30.407 1.00 0.00 H +ATOM 302 HE ARG L 14D -7.963 2.925 31.999 1.00 0.00 H +ATOM 303 HH11 ARG L 14D -9.120 6.120 32.121 1.00 0.00 H +ATOM 304 HH12 ARG L 14D -10.079 5.850 33.229 1.00 0.00 H +ATOM 305 HH21 ARG L 14D -9.448 2.699 33.766 1.00 0.00 H +ATOM 306 HH22 ARG L 14D -10.268 3.868 34.188 1.00 0.00 H +ATOM 307 N GLU L 14E -4.200 4.024 30.432 1.00 0.00 N +ATOM 308 CA GLU L 14E -3.708 2.874 31.224 1.00 0.00 C +ATOM 309 C GLU L 14E -2.247 3.112 31.607 1.00 0.00 C +ATOM 310 O GLU L 14E -1.886 2.776 32.726 1.00 0.00 O +ATOM 311 CB GLU L 14E -3.827 1.566 30.479 1.00 0.00 C +ATOM 312 CG GLU L 14E -2.863 0.429 30.806 1.00 0.00 C +ATOM 313 CD GLU L 14E -2.962 -0.891 30.077 1.00 0.00 C +ATOM 314 OE1 GLU L 14E -3.511 -0.905 28.924 1.00 0.00 O +ATOM 315 OE2 GLU L 14E -2.444 -1.924 30.541 1.00 0.00 O +ATOM 316 H GLU L 14E -4.475 3.801 29.648 1.00 0.00 H +ATOM 317 HA GLU L 14E -4.263 2.807 32.017 1.00 0.00 H +ATOM 318 HB2 GLU L 14E -4.728 1.233 30.617 1.00 0.00 H +ATOM 319 HB3 GLU L 14E -3.738 1.760 29.533 1.00 0.00 H +ATOM 320 HG2 GLU L 14E -1.964 0.766 30.667 1.00 0.00 H +ATOM 321 HG3 GLU L 14E -2.952 0.241 31.753 1.00 0.00 H +ATOM 322 N LEU L 14F -1.425 3.735 30.783 1.00 0.00 N +ATOM 323 CA LEU L 14F -0.055 4.130 31.149 1.00 0.00 C +ATOM 324 C LEU L 14F -0.128 5.188 32.230 1.00 0.00 C +ATOM 325 O LEU L 14F 0.456 5.028 33.314 1.00 0.00 O +ATOM 326 CB LEU L 14F 0.653 4.611 29.884 1.00 0.00 C +ATOM 327 CG LEU L 14F 1.479 3.675 29.033 1.00 0.00 C +ATOM 328 CD1 LEU L 14F 0.862 2.271 28.836 1.00 0.00 C +ATOM 329 CD2 LEU L 14F 1.740 4.330 27.657 1.00 0.00 C +ATOM 330 H LEU L 14F -1.641 3.949 29.979 1.00 0.00 H +ATOM 331 HA LEU L 14F 0.457 3.389 31.510 1.00 0.00 H +ATOM 332 HB2 LEU L 14F -0.029 4.988 29.306 1.00 0.00 H +ATOM 333 HB3 LEU L 14F 1.236 5.340 30.148 1.00 0.00 H +ATOM 334 HG LEU L 14F 2.307 3.531 29.517 1.00 0.00 H +ATOM 335 HD11 LEU L 14F 1.450 1.734 28.282 1.00 0.00 H +ATOM 336 HD12 LEU L 14F 0.751 1.842 29.699 1.00 0.00 H +ATOM 337 HD13 LEU L 14F -0.002 2.355 28.404 1.00 0.00 H +ATOM 338 HD21 LEU L 14F 2.270 3.731 27.109 1.00 0.00 H +ATOM 339 HD22 LEU L 14F 0.894 4.507 27.217 1.00 0.00 H +ATOM 340 HD23 LEU L 14F 2.220 5.164 27.781 1.00 0.00 H +ATOM 341 N LEU L 14G -0.868 6.261 31.977 1.00 0.00 N +ATOM 342 CA LEU L 14G -0.961 7.380 32.944 1.00 0.00 C +ATOM 343 C LEU L 14G -1.505 6.975 34.302 1.00 0.00 C +ATOM 344 O LEU L 14G -1.019 7.435 35.344 1.00 0.00 O +ATOM 345 CB LEU L 14G -1.556 8.592 32.256 1.00 0.00 C +ATOM 346 CG LEU L 14G -0.808 9.307 31.126 1.00 0.00 C +ATOM 347 CD1 LEU L 14G 0.581 9.862 31.432 1.00 0.00 C +ATOM 348 CD2 LEU L 14G -0.666 8.309 29.934 1.00 0.00 C +ATOM 349 H LEU L 14G -1.326 6.372 31.258 1.00 0.00 H +ATOM 350 HA LEU L 14G -0.075 7.666 33.217 1.00 0.00 H +ATOM 351 HB2 LEU L 14G -2.417 8.322 31.900 1.00 0.00 H +ATOM 352 HB3 LEU L 14G -1.729 9.253 32.945 1.00 0.00 H +ATOM 353 HG LEU L 14G -1.349 10.091 30.942 1.00 0.00 H +ATOM 354 HD11 LEU L 14G 0.942 10.287 30.638 1.00 0.00 H +ATOM 355 HD12 LEU L 14G 0.519 10.514 32.147 1.00 0.00 H +ATOM 356 HD13 LEU L 14G 1.166 9.138 31.705 1.00 0.00 H +ATOM 357 HD21 LEU L 14G -0.194 8.741 29.205 1.00 0.00 H +ATOM 358 HD22 LEU L 14G -0.168 7.528 30.223 1.00 0.00 H +ATOM 359 HD23 LEU L 14G -1.547 8.037 29.633 1.00 0.00 H +ATOM 360 N GLU L 14H -2.510 6.162 34.369 1.00 0.00 N +ATOM 361 CA GLU L 14H -3.179 5.691 35.561 1.00 0.00 C +ATOM 362 C GLU L 14H -2.308 4.782 36.406 1.00 0.00 C +ATOM 363 O GLU L 14H -2.629 4.596 37.575 1.00 0.00 O +ATOM 364 CB GLU L 14H -4.451 4.900 35.211 1.00 0.00 C +ATOM 365 CG GLU L 14H -5.561 5.889 34.789 1.00 0.00 C +ATOM 366 CD GLU L 14H -6.822 5.215 34.376 1.00 0.00 C +ATOM 367 OE1 GLU L 14H -6.644 3.970 34.258 1.00 0.00 O +ATOM 368 OE2 GLU L 14H -7.863 5.844 34.191 1.00 0.00 O +ATOM 369 H GLU L 14H -2.861 5.833 33.656 1.00 0.00 H +ATOM 370 HA GLU L 14H -3.393 6.492 36.064 1.00 0.00 H +ATOM 371 HB2 GLU L 14H -4.269 4.275 34.492 1.00 0.00 H +ATOM 372 HB3 GLU L 14H -4.741 4.377 35.975 1.00 0.00 H +ATOM 373 HG2 GLU L 14H -5.749 6.489 35.528 1.00 0.00 H +ATOM 374 HG3 GLU L 14H -5.238 6.435 34.055 1.00 0.00 H +ATOM 375 N SER L 14I -1.248 4.331 35.789 1.00 0.00 N +ATOM 376 CA SER L 14I -0.296 3.430 36.481 1.00 0.00 C +ATOM 377 C SER L 14I 0.792 4.253 37.166 1.00 0.00 C +ATOM 378 O SER L 14I 1.509 3.684 37.993 1.00 0.00 O +ATOM 379 CB SER L 14I 0.252 2.350 35.541 1.00 0.00 C +ATOM 380 OG SER L 14I 1.329 2.832 34.723 1.00 0.00 O +ATOM 381 H SER L 14I -1.042 4.519 34.976 1.00 0.00 H +ATOM 382 HA SER L 14I -0.767 2.943 37.175 1.00 0.00 H +ATOM 383 HB2 SER L 14I 0.560 1.595 36.065 1.00 0.00 H +ATOM 384 HB3 SER L 14I -0.464 2.027 34.972 1.00 0.00 H +ATOM 385 HG SER L 14I 1.485 3.636 34.910 1.00 0.00 H +ATOM 386 N TYR L 14J 1.001 5.477 36.781 1.00 0.00 N +ATOM 387 CA TYR L 14J 2.098 6.327 37.355 1.00 0.00 C +ATOM 388 C TYR L 14J 1.430 6.834 38.621 1.00 0.00 C +ATOM 389 O TYR L 14J 1.144 8.006 38.830 1.00 0.00 O +ATOM 390 CB TYR L 14J 2.532 7.362 36.333 1.00 0.00 C +ATOM 391 CG TYR L 14J 2.893 6.926 34.941 1.00 0.00 C +ATOM 392 CD1 TYR L 14J 3.480 5.669 34.725 1.00 0.00 C +ATOM 393 CD2 TYR L 14J 2.759 7.765 33.799 1.00 0.00 C +ATOM 394 CE1 TYR L 14J 3.868 5.249 33.475 1.00 0.00 C +ATOM 395 CE2 TYR L 14J 3.093 7.312 32.520 1.00 0.00 C +ATOM 396 CZ TYR L 14J 3.732 6.092 32.367 1.00 0.00 C +ATOM 397 OH TYR L 14J 4.066 5.587 31.105 1.00 0.00 O +ATOM 398 H TYR L 14J 0.530 5.873 36.180 1.00 0.00 H +ATOM 399 HA TYR L 14J 2.942 5.898 37.567 1.00 0.00 H +ATOM 400 HB2 TYR L 14J 1.816 8.012 36.257 1.00 0.00 H +ATOM 401 HB3 TYR L 14J 3.300 7.827 36.700 1.00 0.00 H +ATOM 402 HD1 TYR L 14J 3.610 5.102 35.451 1.00 0.00 H +ATOM 403 HD2 TYR L 14J 2.443 8.633 33.906 1.00 0.00 H +ATOM 404 HE1 TYR L 14J 4.224 4.397 33.365 1.00 0.00 H +ATOM 405 HE2 TYR L 14J 2.887 7.828 31.774 1.00 0.00 H +ATOM 406 HH TYR L 14J 4.630 4.970 31.190 1.00 0.00 H +ATOM 407 N ILE L 14K 0.975 5.831 39.336 1.00 0.00 N +ATOM 408 CA ILE L 14K 0.084 5.946 40.505 1.00 0.00 C +ATOM 409 C ILE L 14K -0.807 7.172 40.357 1.00 0.00 C +ATOM 410 O ILE L 14K -0.709 8.016 41.324 1.00 0.00 O +ATOM 411 CB ILE L 14K 0.845 5.867 41.857 1.00 0.00 C +ATOM 412 CG1 ILE L 14K 2.209 6.584 41.710 1.00 0.00 C +ATOM 413 CG2 ILE L 14K 0.952 4.372 42.288 1.00 0.00 C +ATOM 414 CD1 ILE L 14K 2.260 8.079 42.114 1.00 0.00 C +ATOM 415 H ILE L 14K 1.179 5.015 39.156 1.00 0.00 H +ATOM 416 HA ILE L 14K -0.499 5.171 40.528 1.00 0.00 H +ATOM 417 HB ILE L 14K 0.370 6.326 42.568 1.00 0.00 H +ATOM 418 HG12 ILE L 14K 2.862 6.104 42.244 1.00 0.00 H +ATOM 419 HG13 ILE L 14K 2.491 6.511 40.785 1.00 0.00 H +ATOM 420 HG21 ILE L 14K 1.426 4.312 43.132 1.00 0.00 H +ATOM 421 HG22 ILE L 14K 0.062 4.000 42.390 1.00 0.00 H +ATOM 422 HG23 ILE L 14K 1.435 3.873 41.610 1.00 0.00 H +ATOM 423 HD11 ILE L 14K 3.158 8.420 41.981 1.00 0.00 H +ATOM 424 HD12 ILE L 14K 1.638 8.584 41.567 1.00 0.00 H +ATOM 425 HD13 ILE L 14K 2.015 8.170 43.048 1.00 0.00 H +TER 426 ILE L 14K +ATOM 426 N ILE H 16 4.764 -9.602 18.691 1.00 0.00 N +ATOM 427 CA ILE H 16 4.018 -9.272 19.869 1.00 0.00 C +ATOM 428 C ILE H 16 2.917 -10.291 20.119 1.00 0.00 C +ATOM 429 O ILE H 16 2.045 -10.502 19.241 1.00 0.00 O +ATOM 430 CB ILE H 16 3.393 -7.799 19.813 1.00 0.00 C +ATOM 431 CG1 ILE H 16 4.446 -6.651 19.538 1.00 0.00 C +ATOM 432 CG2 ILE H 16 2.674 -7.456 21.120 1.00 0.00 C +ATOM 433 CD1 ILE H 16 5.292 -6.331 20.840 1.00 0.00 C +ATOM 434 HA ILE H 16 4.649 -9.293 20.605 1.00 0.00 H +ATOM 435 HB ILE H 16 2.778 -7.830 19.063 1.00 0.00 H +ATOM 436 HG12 ILE H 16 5.041 -6.918 18.820 1.00 0.00 H +ATOM 437 HG13 ILE H 16 3.986 -5.850 19.242 1.00 0.00 H +ATOM 438 HG21 ILE H 16 2.305 -6.561 21.061 1.00 0.00 H +ATOM 439 HG22 ILE H 16 1.957 -8.092 21.272 1.00 0.00 H +ATOM 440 HG23 ILE H 16 3.304 -7.498 21.857 1.00 0.00 H +ATOM 441 HD11 ILE H 16 5.929 -5.626 20.647 1.00 0.00 H +ATOM 442 HD12 ILE H 16 4.697 -6.043 21.550 1.00 0.00 H +ATOM 443 HD13 ILE H 16 5.768 -7.128 21.121 1.00 0.00 H +ATOM 444 N VAL H 17 2.874 -10.820 21.343 1.00 0.00 N +ATOM 445 CA VAL H 17 1.859 -11.785 21.809 1.00 0.00 C +ATOM 446 C VAL H 17 0.754 -11.125 22.603 1.00 0.00 C +ATOM 447 O VAL H 17 1.036 -10.483 23.626 1.00 0.00 O +ATOM 448 CB VAL H 17 2.544 -12.932 22.662 1.00 0.00 C +ATOM 449 CG1 VAL H 17 1.494 -13.930 23.112 1.00 0.00 C +ATOM 450 CG2 VAL H 17 3.704 -13.562 21.885 1.00 0.00 C +ATOM 451 H VAL H 17 3.452 -10.624 21.949 1.00 0.00 H +ATOM 452 HA VAL H 17 1.448 -12.172 21.020 1.00 0.00 H +ATOM 453 HB VAL H 17 2.938 -12.561 23.467 1.00 0.00 H +ATOM 454 HG11 VAL H 17 1.916 -14.631 23.634 1.00 0.00 H +ATOM 455 HG12 VAL H 17 0.830 -13.478 23.656 1.00 0.00 H +ATOM 456 HG13 VAL H 17 1.064 -14.320 22.335 1.00 0.00 H +ATOM 457 HG21 VAL H 17 4.111 -14.261 22.421 1.00 0.00 H +ATOM 458 HG22 VAL H 17 3.371 -13.943 21.057 1.00 0.00 H +ATOM 459 HG23 VAL H 17 4.366 -12.882 21.684 1.00 0.00 H +ATOM 460 N GLU H 18 -0.477 -11.263 22.165 1.00 0.00 N +ATOM 461 CA GLU H 18 -1.621 -10.690 22.868 1.00 0.00 C +ATOM 462 C GLU H 18 -1.676 -9.156 22.833 1.00 0.00 C +ATOM 463 O GLU H 18 -2.004 -8.600 23.909 1.00 0.00 O +ATOM 464 CB GLU H 18 -1.547 -11.048 24.377 1.00 0.00 C +ATOM 465 CG GLU H 18 -1.664 -12.559 24.663 1.00 0.00 C +ATOM 466 CD GLU H 18 -3.099 -13.068 24.530 1.00 0.00 C +ATOM 467 OE1 GLU H 18 -4.055 -12.478 25.045 1.00 0.00 O +ATOM 468 OE2 GLU H 18 -3.132 -14.149 23.880 1.00 0.00 O +ATOM 469 H GLU H 18 -0.683 -11.692 21.449 1.00 0.00 H +ATOM 470 HA GLU H 18 -2.395 -11.056 22.413 1.00 0.00 H +ATOM 471 HB2 GLU H 18 -0.707 -10.723 24.737 1.00 0.00 H +ATOM 472 HB3 GLU H 18 -2.256 -10.582 24.847 1.00 0.00 H +ATOM 473 HG2 GLU H 18 -1.092 -13.047 24.050 1.00 0.00 H +ATOM 474 HG3 GLU H 18 -1.340 -12.742 25.559 1.00 0.00 H +ATOM 475 N GLY H 19 -1.241 -8.531 21.776 1.00 0.00 N +ATOM 476 CA GLY H 19 -1.256 -7.063 21.641 1.00 0.00 C +ATOM 477 C GLY H 19 -2.509 -6.705 20.793 1.00 0.00 C +ATOM 478 O GLY H 19 -3.515 -7.439 20.779 1.00 0.00 O +ATOM 479 H GLY H 19 -0.918 -8.937 21.090 1.00 0.00 H +ATOM 480 HA2 GLY H 19 -1.296 -6.637 22.512 1.00 0.00 H +ATOM 481 HA3 GLY H 19 -0.446 -6.749 21.209 1.00 0.00 H +ATOM 482 N SER H 20 -2.444 -5.544 20.145 1.00 0.00 N +ATOM 483 CA SER H 20 -3.523 -5.142 19.215 1.00 0.00 C +ATOM 484 C SER H 20 -2.920 -4.303 18.132 1.00 0.00 C +ATOM 485 O SER H 20 -1.706 -3.994 18.167 1.00 0.00 O +ATOM 486 CB SER H 20 -4.738 -4.621 19.895 1.00 0.00 C +ATOM 487 OG SER H 20 -4.494 -3.732 20.927 1.00 0.00 O +ATOM 488 H SER H 20 -1.801 -4.978 20.221 1.00 0.00 H +ATOM 489 HA SER H 20 -3.905 -5.918 18.775 1.00 0.00 H +ATOM 490 HB2 SER H 20 -5.299 -4.184 19.235 1.00 0.00 H +ATOM 491 HB3 SER H 20 -5.243 -5.371 20.245 1.00 0.00 H +ATOM 492 HG SER H 20 -5.224 -3.482 21.260 1.00 0.00 H +ATOM 493 N ASP H 21 -3.731 -4.146 17.082 1.00 0.00 N +ATOM 494 CA ASP H 21 -3.234 -3.339 15.908 1.00 0.00 C +ATOM 495 C ASP H 21 -2.971 -1.903 16.442 1.00 0.00 C +ATOM 496 O ASP H 21 -3.799 -1.445 17.228 1.00 0.00 O +ATOM 497 CB ASP H 21 -4.186 -3.304 14.747 1.00 0.00 C +ATOM 498 CG ASP H 21 -4.527 -4.677 14.168 1.00 0.00 C +ATOM 499 OD1 ASP H 21 -3.869 -5.674 14.419 1.00 0.00 O +ATOM 500 OD2 ASP H 21 -5.527 -4.693 13.380 1.00 0.00 O +ATOM 501 H ASP H 21 -4.525 -4.467 17.009 1.00 0.00 H +ATOM 502 HA ASP H 21 -2.432 -3.755 15.556 1.00 0.00 H +ATOM 503 HB2 ASP H 21 -5.007 -2.871 15.029 1.00 0.00 H +ATOM 504 HB3 ASP H 21 -3.803 -2.755 14.045 1.00 0.00 H +ATOM 505 N ALA H 22 -1.887 -1.301 16.026 1.00 0.00 N +ATOM 506 CA ALA H 22 -1.692 0.138 16.461 1.00 0.00 C +ATOM 507 C ALA H 22 -2.641 0.981 15.579 1.00 0.00 C +ATOM 508 O ALA H 22 -3.125 0.534 14.501 1.00 0.00 O +ATOM 509 CB ALA H 22 -0.246 0.455 16.169 1.00 0.00 C +ATOM 510 H ALA H 22 -1.273 -1.641 15.529 1.00 0.00 H +ATOM 511 HA ALA H 22 -1.884 0.310 17.396 1.00 0.00 H +ATOM 512 HB1 ALA H 22 -0.057 1.370 16.428 1.00 0.00 H +ATOM 513 HB2 ALA H 22 0.325 -0.147 16.671 1.00 0.00 H +ATOM 514 HB3 ALA H 22 -0.076 0.346 15.220 1.00 0.00 H +ATOM 515 N GLU H 23 -2.947 2.182 16.046 1.00 0.00 N +ATOM 516 CA GLU H 23 -3.653 3.193 15.251 1.00 0.00 C +ATOM 517 C GLU H 23 -2.602 3.862 14.356 1.00 0.00 C +ATOM 518 O GLU H 23 -1.368 3.729 14.531 1.00 0.00 O +ATOM 519 CB GLU H 23 -4.284 4.267 16.114 1.00 0.00 C +ATOM 520 CG GLU H 23 -4.975 3.850 17.358 1.00 0.00 C +ATOM 521 CD GLU H 23 -5.538 4.796 18.352 1.00 0.00 C +ATOM 522 OE1 GLU H 23 -6.093 5.830 17.986 1.00 0.00 O +ATOM 523 OE2 GLU H 23 -5.523 4.371 19.562 1.00 0.00 O +ATOM 524 H GLU H 23 -2.751 2.442 16.842 1.00 0.00 H +ATOM 525 HA GLU H 23 -4.363 2.761 14.751 1.00 0.00 H +ATOM 526 HB2 GLU H 23 -3.588 4.897 16.358 1.00 0.00 H +ATOM 527 HB3 GLU H 23 -4.924 4.749 15.567 1.00 0.00 H +ATOM 528 HG2 GLU H 23 -5.709 3.279 17.082 1.00 0.00 H +ATOM 529 HG3 GLU H 23 -4.347 3.291 17.842 1.00 0.00 H +ATOM 530 N ILE H 24 -3.042 4.455 13.270 1.00 0.00 N +ATOM 531 CA ILE H 24 -2.116 5.119 12.322 1.00 0.00 C +ATOM 532 C ILE H 24 -1.489 6.287 13.121 1.00 0.00 C +ATOM 533 O ILE H 24 -2.209 6.976 13.880 1.00 0.00 O +ATOM 534 CB ILE H 24 -2.913 5.666 11.079 1.00 0.00 C +ATOM 535 CG1 ILE H 24 -3.805 4.563 10.481 1.00 0.00 C +ATOM 536 CG2 ILE H 24 -2.007 6.384 10.053 1.00 0.00 C +ATOM 537 CD1 ILE H 24 -3.018 3.565 9.601 1.00 0.00 C +ATOM 538 H ILE H 24 -3.871 4.495 13.046 1.00 0.00 H +ATOM 539 HA ILE H 24 -1.441 4.511 11.981 1.00 0.00 H +ATOM 540 HB ILE H 24 -3.511 6.365 11.386 1.00 0.00 H +ATOM 541 HG12 ILE H 24 -4.240 4.079 11.201 1.00 0.00 H +ATOM 542 HG13 ILE H 24 -4.506 4.973 9.950 1.00 0.00 H +ATOM 543 HG21 ILE H 24 -2.546 6.700 9.311 1.00 0.00 H +ATOM 544 HG22 ILE H 24 -1.570 7.138 10.479 1.00 0.00 H +ATOM 545 HG23 ILE H 24 -1.336 5.765 9.725 1.00 0.00 H +ATOM 546 HD11 ILE H 24 -3.625 2.894 9.251 1.00 0.00 H +ATOM 547 HD12 ILE H 24 -2.602 4.040 8.865 1.00 0.00 H +ATOM 548 HD13 ILE H 24 -2.332 3.134 10.135 1.00 0.00 H +ATOM 549 N GLY H 25 -0.232 6.549 12.874 1.00 0.00 N +ATOM 550 CA GLY H 25 0.530 7.625 13.532 1.00 0.00 C +ATOM 551 C GLY H 25 0.748 7.446 15.033 1.00 0.00 C +ATOM 552 O GLY H 25 1.197 8.406 15.674 1.00 0.00 O +ATOM 553 H GLY H 25 0.233 6.103 12.304 1.00 0.00 H +ATOM 554 HA2 GLY H 25 1.396 7.698 13.101 1.00 0.00 H +ATOM 555 HA3 GLY H 25 0.068 8.465 13.385 1.00 0.00 H +ATOM 556 N MET H 26 0.479 6.298 15.625 1.00 0.00 N +ATOM 557 CA MET H 26 0.638 5.997 17.047 1.00 0.00 C +ATOM 558 C MET H 26 2.102 5.951 17.489 1.00 0.00 C +ATOM 559 O MET H 26 2.402 6.363 18.657 1.00 0.00 O +ATOM 560 CB MET H 26 -0.130 4.730 17.354 1.00 0.00 C +ATOM 561 CG MET H 26 -0.565 4.627 18.791 1.00 0.00 C +ATOM 562 SD MET H 26 -0.927 2.852 19.031 1.00 0.00 S +ATOM 563 CE MET H 26 -2.095 2.888 20.374 1.00 0.00 C +ATOM 564 H MET H 26 0.178 5.624 15.183 1.00 0.00 H +ATOM 565 HA MET H 26 0.265 6.721 17.573 1.00 0.00 H +ATOM 566 HB2 MET H 26 -0.913 4.688 16.783 1.00 0.00 H +ATOM 567 HB3 MET H 26 0.423 3.964 17.135 1.00 0.00 H +ATOM 568 HG2 MET H 26 0.132 4.930 19.394 1.00 0.00 H +ATOM 569 HG3 MET H 26 -1.347 5.174 18.964 1.00 0.00 H +ATOM 570 HE1 MET H 26 -2.364 1.982 20.593 1.00 0.00 H +ATOM 571 HE2 MET H 26 -1.683 3.299 21.150 1.00 0.00 H +ATOM 572 HE3 MET H 26 -2.875 3.402 20.111 1.00 0.00 H +ATOM 573 N SER H 27 2.964 5.409 16.682 1.00 0.00 N +ATOM 574 CA SER H 27 4.440 5.314 16.973 1.00 0.00 C +ATOM 575 C SER H 27 5.208 5.807 15.774 1.00 0.00 C +ATOM 576 O SER H 27 5.811 4.974 15.057 1.00 0.00 O +ATOM 577 CB SER H 27 4.956 3.875 17.295 1.00 0.00 C +ATOM 578 OG SER H 27 3.994 3.292 18.157 1.00 0.00 O +ATOM 579 H SER H 27 2.743 5.068 15.924 1.00 0.00 H +ATOM 580 HA SER H 27 4.581 5.853 17.767 1.00 0.00 H +ATOM 581 HB2 SER H 27 5.055 3.353 16.483 1.00 0.00 H +ATOM 582 HB3 SER H 27 5.827 3.907 17.720 1.00 0.00 H +ATOM 583 HG SER H 27 4.063 3.629 18.923 1.00 0.00 H +ATOM 584 N PRO H 28 5.317 7.118 15.639 1.00 0.00 N +ATOM 585 CA PRO H 28 5.959 7.667 14.443 1.00 0.00 C +ATOM 586 C PRO H 28 7.427 7.443 14.415 1.00 0.00 C +ATOM 587 O PRO H 28 8.100 7.787 13.465 1.00 0.00 O +ATOM 588 CB PRO H 28 5.577 9.161 14.440 1.00 0.00 C +ATOM 589 CG PRO H 28 5.063 9.454 15.798 1.00 0.00 C +ATOM 590 CD PRO H 28 4.747 8.144 16.491 1.00 0.00 C +ATOM 591 HA PRO H 28 5.654 7.219 13.639 1.00 0.00 H +ATOM 592 HB2 PRO H 28 6.345 9.715 14.233 1.00 0.00 H +ATOM 593 HB3 PRO H 28 4.904 9.346 13.767 1.00 0.00 H +ATOM 594 HG2 PRO H 28 5.721 9.953 16.306 1.00 0.00 H +ATOM 595 HG3 PRO H 28 4.268 10.007 15.745 1.00 0.00 H +ATOM 596 HD2 PRO H 28 5.133 8.116 17.380 1.00 0.00 H +ATOM 597 HD3 PRO H 28 3.790 8.023 16.593 1.00 0.00 H +ATOM 598 N TRP H 29 8.043 7.037 15.530 1.00 0.00 N +ATOM 599 CA TRP H 29 9.491 6.752 15.541 1.00 0.00 C +ATOM 600 C TRP H 29 9.788 5.266 15.222 1.00 0.00 C +ATOM 601 O TRP H 29 11.025 4.924 15.229 1.00 0.00 O +ATOM 602 CB TRP H 29 10.010 7.107 16.940 1.00 0.00 C +ATOM 603 CG TRP H 29 8.995 6.693 17.970 1.00 0.00 C +ATOM 604 CD1 TRP H 29 8.835 5.446 18.506 1.00 0.00 C +ATOM 605 CD2 TRP H 29 8.043 7.558 18.644 1.00 0.00 C +ATOM 606 NE1 TRP H 29 7.895 5.471 19.463 1.00 0.00 N +ATOM 607 CE2 TRP H 29 7.339 6.751 19.553 1.00 0.00 C +ATOM 608 CE3 TRP H 29 7.714 8.917 18.533 1.00 0.00 C +ATOM 609 CZ2 TRP H 29 6.302 7.234 20.354 1.00 0.00 C +ATOM 610 CZ3 TRP H 29 6.742 9.445 19.398 1.00 0.00 C +ATOM 611 CH2 TRP H 29 6.026 8.626 20.265 1.00 0.00 C +ATOM 612 H TRP H 29 7.649 6.920 16.285 1.00 0.00 H +ATOM 613 HA TRP H 29 9.933 7.277 14.856 1.00 0.00 H +ATOM 614 HB2 TRP H 29 10.855 6.660 17.106 1.00 0.00 H +ATOM 615 HB3 TRP H 29 10.177 8.060 17.001 1.00 0.00 H +ATOM 616 HD1 TRP H 29 9.309 4.690 18.245 1.00 0.00 H +ATOM 617 HE1 TRP H 29 7.668 4.799 19.949 1.00 0.00 H +ATOM 618 HE3 TRP H 29 8.131 9.457 17.900 1.00 0.00 H +ATOM 619 HZ2 TRP H 29 5.817 6.674 20.916 1.00 0.00 H +ATOM 620 HZ3 TRP H 29 6.574 10.360 19.391 1.00 0.00 H +ATOM 621 HH2 TRP H 29 5.356 8.995 20.795 1.00 0.00 H +ATOM 622 N GLN H 30 8.800 4.432 14.995 1.00 0.00 N +ATOM 623 CA GLN H 30 9.037 2.979 14.725 1.00 0.00 C +ATOM 624 C GLN H 30 9.729 2.808 13.386 1.00 0.00 C +ATOM 625 O GLN H 30 9.218 3.465 12.423 1.00 0.00 O +ATOM 626 CB GLN H 30 7.764 2.171 14.719 1.00 0.00 C +ATOM 627 CG GLN H 30 7.917 0.683 14.535 1.00 0.00 C +ATOM 628 CD GLN H 30 8.451 -0.074 15.731 1.00 0.00 C +ATOM 629 OE1 GLN H 30 8.190 0.174 16.910 1.00 0.00 O +ATOM 630 NE2 GLN H 30 9.231 -1.090 15.387 1.00 0.00 N +ATOM 631 H GLN H 30 7.972 4.663 14.987 1.00 0.00 H +ATOM 632 HA GLN H 30 9.595 2.650 15.447 1.00 0.00 H +ATOM 633 HB2 GLN H 30 7.300 2.328 15.556 1.00 0.00 H +ATOM 634 HB3 GLN H 30 7.193 2.508 14.011 1.00 0.00 H +ATOM 635 HG2 GLN H 30 7.052 0.312 14.298 1.00 0.00 H +ATOM 636 HG3 GLN H 30 8.509 0.526 13.783 1.00 0.00 H +ATOM 637 HE21 GLN H 30 9.398 -1.242 14.557 1.00 0.00 H +ATOM 638 HE22 GLN H 30 9.570 -1.597 15.994 1.00 0.00 H +ATOM 639 N VAL H 31 10.843 2.129 13.369 1.00 0.00 N +ATOM 640 CA VAL H 31 11.589 1.842 12.131 1.00 0.00 C +ATOM 641 C VAL H 31 11.581 0.311 11.867 1.00 0.00 C +ATOM 642 O VAL H 31 11.601 -0.476 12.884 1.00 0.00 O +ATOM 643 CB VAL H 31 13.048 2.285 12.289 1.00 0.00 C +ATOM 644 CG1 VAL H 31 13.941 1.898 11.100 1.00 0.00 C +ATOM 645 CG2 VAL H 31 13.228 3.749 12.728 1.00 0.00 C +ATOM 646 H VAL H 31 11.210 1.808 14.077 1.00 0.00 H +ATOM 647 HA VAL H 31 11.171 2.318 11.397 1.00 0.00 H +ATOM 648 HB VAL H 31 13.370 1.764 13.041 1.00 0.00 H +ATOM 649 HG11 VAL H 31 14.847 2.206 11.262 1.00 0.00 H +ATOM 650 HG12 VAL H 31 13.941 0.934 10.996 1.00 0.00 H +ATOM 651 HG13 VAL H 31 13.600 2.310 10.291 1.00 0.00 H +ATOM 652 HG21 VAL H 31 14.174 3.950 12.805 1.00 0.00 H +ATOM 653 HG22 VAL H 31 12.825 4.336 12.069 1.00 0.00 H +ATOM 654 HG23 VAL H 31 12.798 3.885 13.587 1.00 0.00 H +ATOM 655 N MET H 32 11.676 -0.086 10.617 1.00 0.00 N +ATOM 656 CA MET H 32 11.774 -1.509 10.181 1.00 0.00 C +ATOM 657 C MET H 32 13.181 -1.775 9.644 1.00 0.00 C +ATOM 658 O MET H 32 13.559 -1.068 8.691 1.00 0.00 O +ATOM 659 CB MET H 32 10.804 -1.942 9.079 1.00 0.00 C +ATOM 660 CG MET H 32 11.084 -3.293 8.475 1.00 0.00 C +ATOM 661 SD MET H 32 9.747 -3.839 7.320 1.00 0.00 S +ATOM 662 CE MET H 32 8.350 -3.934 8.352 1.00 0.00 C +ATOM 663 H MET H 32 11.688 0.467 9.959 1.00 0.00 H +ATOM 664 HA MET H 32 11.549 -2.017 10.976 1.00 0.00 H +ATOM 665 HB2 MET H 32 9.905 -1.946 9.442 1.00 0.00 H +ATOM 666 HB3 MET H 32 10.822 -1.278 8.373 1.00 0.00 H +ATOM 667 HG2 MET H 32 11.928 -3.263 7.998 1.00 0.00 H +ATOM 668 HG3 MET H 32 11.183 -3.947 9.184 1.00 0.00 H +ATOM 669 HE1 MET H 32 7.582 -4.217 7.832 1.00 0.00 H +ATOM 670 HE2 MET H 32 8.514 -4.575 9.061 1.00 0.00 H +ATOM 671 HE3 MET H 32 8.174 -3.062 8.740 1.00 0.00 H +ATOM 672 N LEU H 33 13.874 -2.705 10.260 1.00 0.00 N +ATOM 673 CA LEU H 33 15.201 -3.120 9.737 1.00 0.00 C +ATOM 674 C LEU H 33 14.880 -4.190 8.635 1.00 0.00 C +ATOM 675 O LEU H 33 14.121 -5.187 8.863 1.00 0.00 O +ATOM 676 CB LEU H 33 16.206 -3.507 10.773 1.00 0.00 C +ATOM 677 CG LEU H 33 16.959 -2.535 11.636 1.00 0.00 C +ATOM 678 CD1 LEU H 33 18.123 -3.143 12.430 1.00 0.00 C +ATOM 679 CD2 LEU H 33 17.551 -1.389 10.772 1.00 0.00 C +ATOM 680 H LEU H 33 13.618 -3.115 10.971 1.00 0.00 H +ATOM 681 HA LEU H 33 15.682 -2.372 9.349 1.00 0.00 H +ATOM 682 HB2 LEU H 33 15.746 -4.106 11.382 1.00 0.00 H +ATOM 683 HB3 LEU H 33 16.878 -4.032 10.312 1.00 0.00 H +ATOM 684 HG LEU H 33 16.298 -2.219 12.271 1.00 0.00 H +ATOM 685 HD11 LEU H 33 18.552 -2.451 12.957 1.00 0.00 H +ATOM 686 HD12 LEU H 33 17.786 -3.836 13.020 1.00 0.00 H +ATOM 687 HD13 LEU H 33 18.768 -3.528 11.816 1.00 0.00 H +ATOM 688 HD21 LEU H 33 18.034 -0.770 11.342 1.00 0.00 H +ATOM 689 HD22 LEU H 33 18.157 -1.761 10.113 1.00 0.00 H +ATOM 690 HD23 LEU H 33 16.832 -0.919 10.321 1.00 0.00 H +ATOM 691 N PHE H 34 15.433 -3.915 7.474 1.00 0.00 N +ATOM 692 CA PHE H 34 15.085 -4.723 6.302 1.00 0.00 C +ATOM 693 C PHE H 34 16.285 -5.121 5.473 1.00 0.00 C +ATOM 694 O PHE H 34 17.097 -4.293 5.020 1.00 0.00 O +ATOM 695 CB PHE H 34 14.130 -3.847 5.435 1.00 0.00 C +ATOM 696 CG PHE H 34 13.480 -4.589 4.304 1.00 0.00 C +ATOM 697 CD1 PHE H 34 12.418 -5.450 4.563 1.00 0.00 C +ATOM 698 CD2 PHE H 34 13.976 -4.438 2.991 1.00 0.00 C +ATOM 699 CE1 PHE H 34 11.773 -6.141 3.587 1.00 0.00 C +ATOM 700 CE2 PHE H 34 13.351 -5.136 1.955 1.00 0.00 C +ATOM 701 CZ PHE H 34 12.258 -5.979 2.283 1.00 0.00 C +ATOM 702 H PHE H 34 15.999 -3.283 7.333 1.00 0.00 H +ATOM 703 HA PHE H 34 14.677 -5.551 6.599 1.00 0.00 H +ATOM 704 HB2 PHE H 34 13.439 -3.476 6.006 1.00 0.00 H +ATOM 705 HB3 PHE H 34 14.631 -3.099 5.073 1.00 0.00 H +ATOM 706 HD1 PHE H 34 12.137 -5.557 5.443 1.00 0.00 H +ATOM 707 HD2 PHE H 34 14.704 -3.885 2.819 1.00 0.00 H +ATOM 708 HE1 PHE H 34 11.048 -6.692 3.775 1.00 0.00 H +ATOM 709 HE2 PHE H 34 13.643 -5.051 1.076 1.00 0.00 H +ATOM 710 HZ PHE H 34 11.842 -6.448 1.596 1.00 0.00 H +ATOM 711 N ARG H 35 16.283 -6.418 5.219 1.00 0.00 N +ATOM 712 CA ARG H 35 17.306 -7.119 4.412 1.00 0.00 C +ATOM 713 C ARG H 35 17.081 -6.989 2.896 1.00 0.00 C +ATOM 714 O ARG H 35 15.998 -7.252 2.378 1.00 0.00 O +ATOM 715 CB ARG H 35 17.297 -8.599 4.807 1.00 0.00 C +ATOM 716 CG ARG H 35 18.713 -9.178 4.804 1.00 0.00 C +ATOM 717 CD ARG H 35 18.630 -10.627 5.271 1.00 0.00 C +ATOM 718 NE ARG H 35 19.856 -11.218 4.743 1.00 0.00 N +ATOM 719 CZ ARG H 35 20.312 -12.459 4.962 1.00 0.00 C +ATOM 720 NH1 ARG H 35 19.708 -13.401 5.686 1.00 0.00 N +ATOM 721 NH2 ARG H 35 21.554 -12.592 4.459 1.00 0.00 N +ATOM 722 H ARG H 35 15.671 -6.944 5.516 1.00 0.00 H +ATOM 723 HA ARG H 35 18.163 -6.705 4.597 1.00 0.00 H +ATOM 724 HB2 ARG H 35 16.905 -8.699 5.689 1.00 0.00 H +ATOM 725 HB3 ARG H 35 16.739 -9.098 4.190 1.00 0.00 H +ATOM 726 HG2 ARG H 35 19.097 -9.130 3.915 1.00 0.00 H +ATOM 727 HG3 ARG H 35 19.290 -8.665 5.391 1.00 0.00 H +ATOM 728 HD2 ARG H 35 18.589 -10.690 6.238 1.00 0.00 H +ATOM 729 HD3 ARG H 35 17.840 -11.071 4.924 1.00 0.00 H +ATOM 730 HE ARG H 35 20.337 -10.716 4.237 1.00 0.00 H +ATOM 731 HH11 ARG H 35 18.953 -13.235 6.064 1.00 0.00 H +ATOM 732 HH12 ARG H 35 20.073 -14.175 5.775 1.00 0.00 H +ATOM 733 HH21 ARG H 35 21.933 -11.927 4.067 1.00 0.00 H +ATOM 734 HH22 ARG H 35 21.969 -13.342 4.530 1.00 0.00 H +ATOM 735 N LYS H 36 18.170 -6.595 2.247 1.00 0.00 N +ATOM 736 CA LYS H 36 18.217 -6.354 0.819 1.00 0.00 C +ATOM 737 C LYS H 36 18.028 -7.649 0.028 1.00 0.00 C +ATOM 738 O LYS H 36 17.414 -7.570 -1.075 1.00 0.00 O +ATOM 739 CB LYS H 36 19.483 -5.680 0.368 1.00 0.00 C +ATOM 740 CG LYS H 36 19.488 -4.154 0.375 1.00 0.00 C +ATOM 741 CD LYS H 36 20.910 -3.596 0.313 1.00 0.00 C +ATOM 742 CE LYS H 36 21.107 -2.344 -0.483 1.00 0.00 C +ATOM 743 NZ LYS H 36 22.441 -1.729 -0.215 1.00 0.00 N +ATOM 744 H LYS H 36 18.922 -6.458 2.640 1.00 0.00 H +ATOM 745 HA LYS H 36 17.481 -5.748 0.639 1.00 0.00 H +ATOM 746 HB2 LYS H 36 20.208 -5.988 0.934 1.00 0.00 H +ATOM 747 HB3 LYS H 36 19.681 -5.979 -0.533 1.00 0.00 H +ATOM 748 HG2 LYS H 36 18.977 -3.824 -0.381 1.00 0.00 H +ATOM 749 HG3 LYS H 36 19.048 -3.832 1.177 1.00 0.00 H +ATOM 750 HD2 LYS H 36 21.209 -3.428 1.220 1.00 0.00 H +ATOM 751 HD3 LYS H 36 21.489 -4.282 -0.054 1.00 0.00 H +ATOM 752 HE2 LYS H 36 21.026 -2.544 -1.429 1.00 0.00 H +ATOM 753 HE3 LYS H 36 20.407 -1.708 -0.267 1.00 0.00 H +ATOM 754 HZ1 LYS H 36 22.475 -0.920 -0.584 1.00 0.00 H +ATOM 755 HZ2 LYS H 36 22.565 -1.660 0.664 1.00 0.00 H +ATOM 756 HZ3 LYS H 36 23.080 -2.241 -0.565 1.00 0.00 H +ATOM 757 N SER H 36A 18.385 -8.810 0.609 1.00 0.00 N +ATOM 758 CA SER H 36A 18.194 -10.070 -0.177 1.00 0.00 C +ATOM 759 C SER H 36A 18.810 -11.257 0.583 1.00 0.00 C +ATOM 760 O SER H 36A 19.990 -11.211 0.887 1.00 0.00 O +ATOM 761 CB SER H 36A 18.812 -10.006 -1.580 1.00 0.00 C +ATOM 762 OG SER H 36A 17.895 -10.463 -2.614 1.00 0.00 O +ATOM 763 H SER H 36A 18.716 -8.900 1.398 1.00 0.00 H +ATOM 764 HA SER H 36A 17.237 -10.185 -0.285 1.00 0.00 H +ATOM 765 HB2 SER H 36A 19.081 -9.094 -1.770 1.00 0.00 H +ATOM 766 HB3 SER H 36A 19.616 -10.549 -1.601 1.00 0.00 H +ATOM 767 HG SER H 36A 17.223 -9.960 -2.635 1.00 0.00 H +ATOM 768 N PRO H 37 18.003 -12.232 0.913 1.00 0.00 N +ATOM 769 CA PRO H 37 16.555 -12.251 0.619 1.00 0.00 C +ATOM 770 C PRO H 37 15.951 -10.960 1.201 1.00 0.00 C +ATOM 771 O PRO H 37 16.508 -10.357 2.136 1.00 0.00 O +ATOM 772 CB PRO H 37 16.056 -13.518 1.297 1.00 0.00 C +ATOM 773 CG PRO H 37 17.159 -14.096 2.120 1.00 0.00 C +ATOM 774 CD PRO H 37 18.410 -13.319 1.783 1.00 0.00 C +ATOM 775 HA PRO H 37 16.316 -12.268 -0.321 1.00 0.00 H +ATOM 776 HB2 PRO H 37 15.289 -13.319 1.857 1.00 0.00 H +ATOM 777 HB3 PRO H 37 15.762 -14.160 0.632 1.00 0.00 H +ATOM 778 HG2 PRO H 37 16.955 -14.026 3.066 1.00 0.00 H +ATOM 779 HG3 PRO H 37 17.277 -15.039 1.924 1.00 0.00 H +ATOM 780 HD2 PRO H 37 18.831 -12.977 2.588 1.00 0.00 H +ATOM 781 HD3 PRO H 37 19.061 -13.888 1.342 1.00 0.00 H +ATOM 782 N GLN H 38 14.913 -10.445 0.593 1.00 0.00 N +ATOM 783 CA GLN H 38 14.265 -9.217 1.089 1.00 0.00 C +ATOM 784 C GLN H 38 13.513 -9.687 2.318 1.00 0.00 C +ATOM 785 O GLN H 38 12.588 -10.519 2.086 1.00 0.00 O +ATOM 786 CB GLN H 38 13.344 -8.552 0.065 1.00 0.00 C +ATOM 787 CG GLN H 38 14.173 -7.997 -1.061 1.00 0.00 C +ATOM 788 CD GLN H 38 13.712 -6.837 -1.876 1.00 0.00 C +ATOM 789 OE1 GLN H 38 12.538 -6.453 -1.984 1.00 0.00 O +ATOM 790 NE2 GLN H 38 14.739 -6.198 -2.498 1.00 0.00 N +ATOM 791 H GLN H 38 14.553 -10.779 -0.113 1.00 0.00 H +ATOM 792 HA GLN H 38 14.913 -8.521 1.281 1.00 0.00 H +ATOM 793 HB2 GLN H 38 12.705 -9.196 -0.277 1.00 0.00 H +ATOM 794 HB3 GLN H 38 12.834 -7.842 0.486 1.00 0.00 H +ATOM 795 HG2 GLN H 38 15.032 -7.751 -0.683 1.00 0.00 H +ATOM 796 HG3 GLN H 38 14.334 -8.728 -1.678 1.00 0.00 H +ATOM 797 HE21 GLN H 38 15.544 -6.486 -2.405 1.00 0.00 H +ATOM 798 HE22 GLN H 38 14.583 -5.506 -2.984 1.00 0.00 H +ATOM 799 N GLU H 39 14.002 -9.326 3.511 1.00 0.00 N +ATOM 800 CA GLU H 39 13.228 -9.808 4.705 1.00 0.00 C +ATOM 801 C GLU H 39 13.398 -8.879 5.901 1.00 0.00 C +ATOM 802 O GLU H 39 14.351 -8.081 5.926 1.00 0.00 O +ATOM 803 CB GLU H 39 13.670 -11.241 5.000 1.00 0.00 C +ATOM 804 CG GLU H 39 15.159 -11.466 5.098 1.00 0.00 C +ATOM 805 CD GLU H 39 15.655 -12.691 5.808 1.00 0.00 C +ATOM 806 OE1 GLU H 39 15.051 -13.727 5.466 1.00 0.00 O +ATOM 807 OE2 GLU H 39 16.607 -12.707 6.597 1.00 0.00 O +ATOM 808 H GLU H 39 14.704 -8.853 3.661 1.00 0.00 H +ATOM 809 HA GLU H 39 12.277 -9.801 4.515 1.00 0.00 H +ATOM 810 HB2 GLU H 39 13.263 -11.521 5.835 1.00 0.00 H +ATOM 811 HB3 GLU H 39 13.318 -11.819 4.305 1.00 0.00 H +ATOM 812 HG2 GLU H 39 15.514 -11.485 4.196 1.00 0.00 H +ATOM 813 HG3 GLU H 39 15.545 -10.693 5.539 1.00 0.00 H +ATOM 814 N LEU H 40 12.450 -8.884 6.835 1.00 0.00 N +ATOM 815 CA LEU H 40 12.497 -8.073 8.046 1.00 0.00 C +ATOM 816 C LEU H 40 13.561 -8.751 8.930 1.00 0.00 C +ATOM 817 O LEU H 40 13.323 -9.949 9.117 1.00 0.00 O +ATOM 818 CB LEU H 40 11.143 -8.136 8.762 1.00 0.00 C +ATOM 819 CG LEU H 40 11.017 -7.797 10.229 1.00 0.00 C +ATOM 820 CD1 LEU H 40 11.018 -6.299 10.487 1.00 0.00 C +ATOM 821 CD2 LEU H 40 9.699 -8.354 10.782 1.00 0.00 C +ATOM 822 H LEU H 40 11.744 -9.372 6.779 1.00 0.00 H +ATOM 823 HA LEU H 40 12.699 -7.143 7.857 1.00 0.00 H +ATOM 824 HB2 LEU H 40 10.541 -7.546 8.282 1.00 0.00 H +ATOM 825 HB3 LEU H 40 10.805 -9.038 8.650 1.00 0.00 H +ATOM 826 HG LEU H 40 11.787 -8.192 10.667 1.00 0.00 H +ATOM 827 HD11 LEU H 40 10.935 -6.134 11.439 1.00 0.00 H +ATOM 828 HD12 LEU H 40 11.848 -5.915 10.164 1.00 0.00 H +ATOM 829 HD13 LEU H 40 10.271 -5.890 10.023 1.00 0.00 H +ATOM 830 HD21 LEU H 40 9.624 -8.133 11.724 1.00 0.00 H +ATOM 831 HD22 LEU H 40 8.954 -7.964 10.298 1.00 0.00 H +ATOM 832 HD23 LEU H 40 9.684 -9.318 10.674 1.00 0.00 H +ATOM 833 N LEU H 41 14.517 -8.002 9.365 1.00 0.00 N +ATOM 834 CA LEU H 41 15.598 -8.328 10.270 1.00 0.00 C +ATOM 835 C LEU H 41 15.267 -8.048 11.739 1.00 0.00 C +ATOM 836 O LEU H 41 15.250 -8.943 12.602 1.00 0.00 O +ATOM 837 CB LEU H 41 16.816 -7.494 9.833 1.00 0.00 C +ATOM 838 CG LEU H 41 18.037 -8.275 9.433 1.00 0.00 C +ATOM 839 CD1 LEU H 41 17.643 -9.425 8.468 1.00 0.00 C +ATOM 840 CD2 LEU H 41 19.033 -7.339 8.744 1.00 0.00 C +ATOM 841 H LEU H 41 14.568 -7.181 9.113 1.00 0.00 H +ATOM 842 HA LEU H 41 15.771 -9.281 10.220 1.00 0.00 H +ATOM 843 HB2 LEU H 41 16.552 -6.935 9.086 1.00 0.00 H +ATOM 844 HB3 LEU H 41 17.057 -6.900 10.561 1.00 0.00 H +ATOM 845 HG LEU H 41 18.445 -8.658 10.225 1.00 0.00 H +ATOM 846 HD11 LEU H 41 18.437 -9.922 8.216 1.00 0.00 H +ATOM 847 HD12 LEU H 41 17.017 -10.019 8.911 1.00 0.00 H +ATOM 848 HD13 LEU H 41 17.229 -9.053 7.673 1.00 0.00 H +ATOM 849 HD21 LEU H 41 19.822 -7.840 8.485 1.00 0.00 H +ATOM 850 HD22 LEU H 41 18.622 -6.953 7.955 1.00 0.00 H +ATOM 851 HD23 LEU H 41 19.287 -6.630 9.355 1.00 0.00 H +ATOM 852 N CYS H 42 14.758 -6.846 12.016 1.00 0.00 N +ATOM 853 CA CYS H 42 14.475 -6.375 13.376 1.00 0.00 C +ATOM 854 C CYS H 42 13.658 -5.064 13.330 1.00 0.00 C +ATOM 855 O CYS H 42 13.593 -4.452 12.257 1.00 0.00 O +ATOM 856 CB CYS H 42 15.875 -5.980 14.007 1.00 0.00 C +ATOM 857 SG CYS H 42 16.730 -7.410 14.849 1.00 0.00 S +ATOM 858 H CYS H 42 14.564 -6.270 11.408 1.00 0.00 H +ATOM 859 HA CYS H 42 13.993 -7.058 13.868 1.00 0.00 H +ATOM 860 HB2 CYS H 42 16.451 -5.632 13.309 1.00 0.00 H +ATOM 861 HB3 CYS H 42 15.744 -5.265 14.649 1.00 0.00 H +ATOM 862 N GLY H 43 13.349 -4.614 14.537 1.00 0.00 N +ATOM 863 CA GLY H 43 12.700 -3.329 14.828 1.00 0.00 C +ATOM 864 C GLY H 43 13.798 -2.299 15.109 1.00 0.00 C +ATOM 865 O GLY H 43 15.003 -2.705 15.233 1.00 0.00 O +ATOM 866 H GLY H 43 13.518 -5.067 15.248 1.00 0.00 H +ATOM 867 HA2 GLY H 43 12.154 -3.047 14.077 1.00 0.00 H +ATOM 868 HA3 GLY H 43 12.109 -3.413 15.593 1.00 0.00 H +ATOM 869 N ALA H 44 13.416 -1.027 15.236 1.00 0.00 N +ATOM 870 CA ALA H 44 14.404 0.026 15.518 1.00 0.00 C +ATOM 871 C ALA H 44 13.579 1.294 15.821 1.00 0.00 C +ATOM 872 O ALA H 44 12.361 1.111 15.800 1.00 0.00 O +ATOM 873 CB ALA H 44 15.423 0.148 14.387 1.00 0.00 C +ATOM 874 H ALA H 44 12.604 -0.753 15.164 1.00 0.00 H +ATOM 875 HA ALA H 44 14.966 -0.168 16.285 1.00 0.00 H +ATOM 876 HB1 ALA H 44 16.060 0.848 14.599 1.00 0.00 H +ATOM 877 HB2 ALA H 44 15.892 -0.695 14.281 1.00 0.00 H +ATOM 878 HB3 ALA H 44 14.965 0.368 13.561 1.00 0.00 H +ATOM 879 N SER H 45 14.216 2.392 16.217 1.00 0.00 N +ATOM 880 CA SER H 45 13.587 3.640 16.522 1.00 0.00 C +ATOM 881 C SER H 45 14.309 4.898 16.025 1.00 0.00 C +ATOM 882 O SER H 45 15.574 5.029 16.161 1.00 0.00 O +ATOM 883 CB SER H 45 13.241 3.784 18.027 1.00 0.00 C +ATOM 884 OG SER H 45 14.461 4.140 18.627 1.00 0.00 O +ATOM 885 H SER H 45 15.070 2.416 16.316 1.00 0.00 H +ATOM 886 HA SER H 45 12.767 3.591 16.006 1.00 0.00 H +ATOM 887 HB2 SER H 45 12.563 4.463 18.172 1.00 0.00 H +ATOM 888 HB3 SER H 45 12.895 2.955 18.392 1.00 0.00 H +ATOM 889 HG SER H 45 14.381 4.113 19.463 1.00 0.00 H +ATOM 890 N LEU H 46 13.476 5.869 15.563 1.00 0.00 N +ATOM 891 CA LEU H 46 14.095 7.146 15.069 1.00 0.00 C +ATOM 892 C LEU H 46 14.275 8.134 16.229 1.00 0.00 C +ATOM 893 O LEU H 46 13.216 8.467 16.832 1.00 0.00 O +ATOM 894 CB LEU H 46 13.062 7.649 14.035 1.00 0.00 C +ATOM 895 CG LEU H 46 13.514 8.471 12.851 1.00 0.00 C +ATOM 896 CD1 LEU H 46 12.742 9.787 12.717 1.00 0.00 C +ATOM 897 CD2 LEU H 46 14.983 8.754 12.783 1.00 0.00 C +ATOM 898 H LEU H 46 12.618 5.823 15.526 1.00 0.00 H +ATOM 899 HA LEU H 46 14.980 7.036 14.687 1.00 0.00 H +ATOM 900 HB2 LEU H 46 12.601 6.870 13.686 1.00 0.00 H +ATOM 901 HB3 LEU H 46 12.405 8.175 14.517 1.00 0.00 H +ATOM 902 HG LEU H 46 13.309 7.890 12.101 1.00 0.00 H +ATOM 903 HD11 LEU H 46 13.068 10.276 11.945 1.00 0.00 H +ATOM 904 HD12 LEU H 46 11.797 9.598 12.604 1.00 0.00 H +ATOM 905 HD13 LEU H 46 12.871 10.321 13.516 1.00 0.00 H +ATOM 906 HD21 LEU H 46 15.174 9.284 11.994 1.00 0.00 H +ATOM 907 HD22 LEU H 46 15.255 9.244 13.575 1.00 0.00 H +ATOM 908 HD23 LEU H 46 15.472 7.918 12.737 1.00 0.00 H +ATOM 909 N ILE H 47 15.469 8.608 16.559 1.00 0.00 N +ATOM 910 CA ILE H 47 15.786 9.540 17.586 1.00 0.00 C +ATOM 911 C ILE H 47 16.181 10.954 17.088 1.00 0.00 C +ATOM 912 O ILE H 47 16.237 11.901 17.889 1.00 0.00 O +ATOM 913 CB ILE H 47 16.832 8.993 18.645 1.00 0.00 C +ATOM 914 CG1 ILE H 47 18.212 8.879 17.988 1.00 0.00 C +ATOM 915 CG2 ILE H 47 16.325 7.679 19.264 1.00 0.00 C +ATOM 916 CD1 ILE H 47 19.387 8.166 18.673 1.00 0.00 C +ATOM 917 H ILE H 47 16.174 8.357 16.135 1.00 0.00 H +ATOM 918 HA ILE H 47 14.939 9.648 18.046 1.00 0.00 H +ATOM 919 HB ILE H 47 16.926 9.614 19.384 1.00 0.00 H +ATOM 920 HG12 ILE H 47 18.079 8.440 17.134 1.00 0.00 H +ATOM 921 HG13 ILE H 47 18.507 9.784 17.799 1.00 0.00 H +ATOM 922 HG21 ILE H 47 16.972 7.354 19.909 1.00 0.00 H +ATOM 923 HG22 ILE H 47 15.477 7.836 19.708 1.00 0.00 H +ATOM 924 HG23 ILE H 47 16.206 7.017 18.565 1.00 0.00 H +ATOM 925 HD11 ILE H 47 20.167 8.202 18.098 1.00 0.00 H +ATOM 926 HD12 ILE H 47 19.586 8.605 19.515 1.00 0.00 H +ATOM 927 HD13 ILE H 47 19.151 7.240 18.839 1.00 0.00 H +ATOM 928 N SER H 48 16.496 11.113 15.820 1.00 0.00 N +ATOM 929 CA SER H 48 16.783 12.442 15.259 1.00 0.00 C +ATOM 930 C SER H 48 16.625 12.319 13.763 1.00 0.00 C +ATOM 931 O SER H 48 16.315 11.184 13.284 1.00 0.00 O +ATOM 932 CB SER H 48 18.100 13.040 15.681 1.00 0.00 C +ATOM 933 OG SER H 48 18.999 12.905 14.604 1.00 0.00 O +ATOM 934 H SER H 48 16.553 10.468 15.254 1.00 0.00 H +ATOM 935 HA SER H 48 16.154 13.086 15.620 1.00 0.00 H +ATOM 936 HB2 SER H 48 17.989 13.974 15.916 1.00 0.00 H +ATOM 937 HB3 SER H 48 18.442 12.588 16.468 1.00 0.00 H +ATOM 938 HG SER H 48 19.618 12.380 14.820 1.00 0.00 H +ATOM 939 N ASP H 49 16.938 13.342 12.980 1.00 0.00 N +ATOM 940 CA ASP H 49 16.630 13.106 11.524 1.00 0.00 C +ATOM 941 C ASP H 49 17.663 12.315 10.796 1.00 0.00 C +ATOM 942 O ASP H 49 17.395 11.931 9.629 1.00 0.00 O +ATOM 943 CB ASP H 49 16.218 14.399 10.839 1.00 0.00 C +ATOM 944 CG ASP H 49 17.421 15.292 10.699 1.00 0.00 C +ATOM 945 OD1 ASP H 49 18.304 15.200 11.582 1.00 0.00 O +ATOM 946 OD2 ASP H 49 17.543 16.014 9.706 1.00 0.00 O +ATOM 947 H ASP H 49 17.284 14.096 13.206 1.00 0.00 H +ATOM 948 HA ASP H 49 15.859 12.519 11.490 1.00 0.00 H +ATOM 949 HB2 ASP H 49 15.840 14.209 9.966 1.00 0.00 H +ATOM 950 HB3 ASP H 49 15.529 14.846 11.355 1.00 0.00 H +ATOM 951 N ARG H 50 18.776 12.036 11.410 1.00 0.00 N +ATOM 952 CA ARG H 50 19.827 11.240 10.736 1.00 0.00 C +ATOM 953 C ARG H 50 20.208 9.982 11.549 1.00 0.00 C +ATOM 954 O ARG H 50 21.200 9.420 11.047 1.00 0.00 O +ATOM 955 CB ARG H 50 21.125 12.073 10.687 1.00 0.00 C +ATOM 956 CG ARG H 50 21.490 12.547 9.296 1.00 0.00 C +ATOM 957 CD ARG H 50 22.769 13.336 9.403 1.00 0.00 C +ATOM 958 NE ARG H 50 23.918 12.500 8.955 1.00 0.00 N +ATOM 959 CZ ARG H 50 23.906 11.914 7.728 1.00 0.00 C +ATOM 960 NH1 ARG H 50 22.797 12.076 7.014 1.00 0.00 N +ATOM 961 NH2 ARG H 50 24.924 11.166 7.310 1.00 0.00 N +ATOM 962 H ARG H 50 18.966 12.284 12.211 1.00 0.00 H +ATOM 963 HA ARG H 50 19.480 10.998 9.863 1.00 0.00 H +ATOM 964 HB2 ARG H 50 21.028 12.844 11.268 1.00 0.00 H +ATOM 965 HB3 ARG H 50 21.855 11.541 11.041 1.00 0.00 H +ATOM 966 HG2 ARG H 50 21.605 11.792 8.698 1.00 0.00 H +ATOM 967 HG3 ARG H 50 20.781 13.096 8.926 1.00 0.00 H +ATOM 968 HD2 ARG H 50 22.711 14.138 8.860 1.00 0.00 H +ATOM 969 HD3 ARG H 50 22.906 13.624 10.319 1.00 0.00 H +ATOM 970 HE ARG H 50 24.593 12.387 9.476 1.00 0.00 H +ATOM 971 HH11 ARG H 50 22.141 12.530 7.335 1.00 0.00 H +ATOM 972 HH12 ARG H 50 22.735 11.727 6.231 1.00 0.00 H +ATOM 973 HH21 ARG H 50 25.607 11.046 7.819 1.00 0.00 H +ATOM 974 HH22 ARG H 50 24.899 10.803 6.531 1.00 0.00 H +ATOM 975 N TRP H 51 19.654 9.724 12.693 1.00 0.00 N +ATOM 976 CA TRP H 51 20.030 8.631 13.607 1.00 0.00 C +ATOM 977 C TRP H 51 18.917 7.662 14.010 1.00 0.00 C +ATOM 978 O TRP H 51 17.773 8.025 14.322 1.00 0.00 O +ATOM 979 CB TRP H 51 20.697 9.180 14.869 1.00 0.00 C +ATOM 980 CG TRP H 51 22.022 9.832 14.664 1.00 0.00 C +ATOM 981 CD1 TRP H 51 22.246 11.193 14.568 1.00 0.00 C +ATOM 982 CD2 TRP H 51 23.305 9.225 14.503 1.00 0.00 C +ATOM 983 NE1 TRP H 51 23.575 11.464 14.335 1.00 0.00 N +ATOM 984 CE2 TRP H 51 24.249 10.268 14.327 1.00 0.00 C +ATOM 985 CE3 TRP H 51 23.751 7.912 14.491 1.00 0.00 C +ATOM 986 CZ2 TRP H 51 25.618 10.033 14.204 1.00 0.00 C +ATOM 987 CZ3 TRP H 51 25.092 7.671 14.334 1.00 0.00 C +ATOM 988 CH2 TRP H 51 26.007 8.697 14.187 1.00 0.00 C +ATOM 989 H TRP H 51 19.005 10.198 12.999 1.00 0.00 H +ATOM 990 HA TRP H 51 20.648 8.103 13.078 1.00 0.00 H +ATOM 991 HB2 TRP H 51 20.098 9.823 15.279 1.00 0.00 H +ATOM 992 HB3 TRP H 51 20.807 8.452 15.501 1.00 0.00 H +ATOM 993 HD1 TRP H 51 21.584 11.841 14.650 1.00 0.00 H +ATOM 994 HE1 TRP H 51 23.921 12.242 14.216 1.00 0.00 H +ATOM 995 HE3 TRP H 51 23.152 7.208 14.588 1.00 0.00 H +ATOM 996 HZ2 TRP H 51 26.234 10.727 14.137 1.00 0.00 H +ATOM 997 HZ3 TRP H 51 25.395 6.792 14.326 1.00 0.00 H +ATOM 998 HH2 TRP H 51 26.906 8.489 14.074 1.00 0.00 H +ATOM 999 N VAL H 52 19.291 6.361 14.008 1.00 0.00 N +ATOM 1000 CA VAL H 52 18.403 5.249 14.373 1.00 0.00 C +ATOM 1001 C VAL H 52 18.998 4.435 15.505 1.00 0.00 C +ATOM 1002 O VAL H 52 20.207 4.159 15.539 1.00 0.00 O +ATOM 1003 CB VAL H 52 18.158 4.397 13.096 1.00 0.00 C +ATOM 1004 CG1 VAL H 52 17.489 3.060 13.370 1.00 0.00 C +ATOM 1005 CG2 VAL H 52 17.308 5.204 12.104 1.00 0.00 C +ATOM 1006 H VAL H 52 20.083 6.106 13.790 1.00 0.00 H +ATOM 1007 HA VAL H 52 17.553 5.581 14.700 1.00 0.00 H +ATOM 1008 HB VAL H 52 19.031 4.194 12.725 1.00 0.00 H +ATOM 1009 HG11 VAL H 52 17.366 2.582 12.535 1.00 0.00 H +ATOM 1010 HG12 VAL H 52 18.047 2.534 13.964 1.00 0.00 H +ATOM 1011 HG13 VAL H 52 16.626 3.209 13.786 1.00 0.00 H +ATOM 1012 HG21 VAL H 52 17.153 4.675 11.306 1.00 0.00 H +ATOM 1013 HG22 VAL H 52 16.458 5.428 12.513 1.00 0.00 H +ATOM 1014 HG23 VAL H 52 17.776 6.020 11.865 1.00 0.00 H +ATOM 1015 N LEU H 53 18.215 4.010 16.480 1.00 0.00 N +ATOM 1016 CA LEU H 53 18.727 3.189 17.603 1.00 0.00 C +ATOM 1017 C LEU H 53 18.137 1.767 17.478 1.00 0.00 C +ATOM 1018 O LEU H 53 16.921 1.630 17.264 1.00 0.00 O +ATOM 1019 CB LEU H 53 18.268 3.854 18.891 1.00 0.00 C +ATOM 1020 CG LEU H 53 18.774 3.439 20.248 1.00 0.00 C +ATOM 1021 CD1 LEU H 53 20.308 3.630 20.321 1.00 0.00 C +ATOM 1022 CD2 LEU H 53 18.072 4.307 21.302 1.00 0.00 C +ATOM 1023 H LEU H 53 17.373 4.180 16.524 1.00 0.00 H +ATOM 1024 HA LEU H 53 19.695 3.123 17.595 1.00 0.00 H +ATOM 1025 HB2 LEU H 53 18.466 4.799 18.800 1.00 0.00 H +ATOM 1026 HB3 LEU H 53 17.302 3.767 18.918 1.00 0.00 H +ATOM 1027 HG LEU H 53 18.582 2.502 20.410 1.00 0.00 H +ATOM 1028 HD11 LEU H 53 20.626 3.361 21.197 1.00 0.00 H +ATOM 1029 HD12 LEU H 53 20.735 3.086 19.641 1.00 0.00 H +ATOM 1030 HD13 LEU H 53 20.526 4.563 20.171 1.00 0.00 H +ATOM 1031 HD21 LEU H 53 18.383 4.057 22.186 1.00 0.00 H +ATOM 1032 HD22 LEU H 53 18.276 5.241 21.140 1.00 0.00 H +ATOM 1033 HD23 LEU H 53 17.113 4.172 21.247 1.00 0.00 H +ATOM 1034 N THR H 54 19.072 0.817 17.687 1.00 0.00 N +ATOM 1035 CA THR H 54 18.639 -0.613 17.723 1.00 0.00 C +ATOM 1036 C THR H 54 19.465 -1.427 18.719 1.00 0.00 C +ATOM 1037 O THR H 54 20.235 -0.926 19.541 1.00 0.00 O +ATOM 1038 CB THR H 54 18.633 -1.212 16.259 1.00 0.00 C +ATOM 1039 OG1 THR H 54 17.750 -2.347 16.235 1.00 0.00 O +ATOM 1040 CG2 THR H 54 20.011 -1.591 15.733 1.00 0.00 C +ATOM 1041 H THR H 54 19.912 0.959 17.804 1.00 0.00 H +ATOM 1042 HA THR H 54 17.728 -0.663 18.052 1.00 0.00 H +ATOM 1043 HB THR H 54 18.321 -0.514 15.662 1.00 0.00 H +ATOM 1044 HG1 THR H 54 17.079 -2.170 15.761 1.00 0.00 H +ATOM 1045 HG21 THR H 54 19.928 -1.949 14.835 1.00 0.00 H +ATOM 1046 HG22 THR H 54 20.579 -0.805 15.716 1.00 0.00 H +ATOM 1047 HG23 THR H 54 20.406 -2.261 16.312 1.00 0.00 H +ATOM 1048 N ALA H 55 19.190 -2.704 18.775 1.00 0.00 N +ATOM 1049 CA ALA H 55 19.831 -3.795 19.535 1.00 0.00 C +ATOM 1050 C ALA H 55 21.040 -4.266 18.784 1.00 0.00 C +ATOM 1051 O ALA H 55 20.900 -4.586 17.558 1.00 0.00 O +ATOM 1052 CB ALA H 55 18.819 -4.906 19.785 1.00 0.00 C +ATOM 1053 H ALA H 55 18.536 -3.013 18.311 1.00 0.00 H +ATOM 1054 HA ALA H 55 20.129 -3.484 20.404 1.00 0.00 H +ATOM 1055 HB1 ALA H 55 19.241 -5.622 20.284 1.00 0.00 H +ATOM 1056 HB2 ALA H 55 18.072 -4.555 20.294 1.00 0.00 H +ATOM 1057 HB3 ALA H 55 18.499 -5.249 18.936 1.00 0.00 H +ATOM 1058 N ALA H 56 22.211 -4.218 19.366 1.00 0.00 N +ATOM 1059 CA ALA H 56 23.449 -4.679 18.697 1.00 0.00 C +ATOM 1060 C ALA H 56 23.317 -6.107 18.180 1.00 0.00 C +ATOM 1061 O ALA H 56 23.994 -6.409 17.176 1.00 0.00 O +ATOM 1062 CB ALA H 56 24.691 -4.651 19.625 1.00 0.00 C +ATOM 1063 H ALA H 56 22.334 -3.920 20.163 1.00 0.00 H +ATOM 1064 HA ALA H 56 23.574 -4.054 17.966 1.00 0.00 H +ATOM 1065 HB1 ALA H 56 25.468 -4.962 19.135 1.00 0.00 H +ATOM 1066 HB2 ALA H 56 24.845 -3.744 19.933 1.00 0.00 H +ATOM 1067 HB3 ALA H 56 24.538 -5.229 20.388 1.00 0.00 H +ATOM 1068 N HIS H 57 22.555 -6.978 18.850 1.00 0.00 N +ATOM 1069 CA HIS H 57 22.531 -8.396 18.367 1.00 0.00 C +ATOM 1070 C HIS H 57 21.742 -8.579 17.060 1.00 0.00 C +ATOM 1071 O HIS H 57 21.713 -9.688 16.453 1.00 0.00 O +ATOM 1072 CB HIS H 57 21.980 -9.312 19.471 1.00 0.00 C +ATOM 1073 CG HIS H 57 20.504 -9.342 19.531 1.00 0.00 C +ATOM 1074 ND1 HIS H 57 19.711 -8.648 20.441 1.00 0.00 N +ATOM 1075 CD2 HIS H 57 19.633 -10.065 18.758 1.00 0.00 C +ATOM 1076 CE1 HIS H 57 18.420 -8.908 20.202 1.00 0.00 C +ATOM 1077 NE2 HIS H 57 18.357 -9.733 19.177 1.00 0.00 N +ATOM 1078 H HIS H 57 22.072 -6.802 19.539 1.00 0.00 H +ATOM 1079 HA HIS H 57 23.446 -8.644 18.163 1.00 0.00 H +ATOM 1080 HB2 HIS H 57 22.309 -10.213 19.328 1.00 0.00 H +ATOM 1081 HB3 HIS H 57 22.325 -9.017 20.328 1.00 0.00 H +ATOM 1082 HD1 HIS H 57 20.006 -8.131 21.062 1.00 0.00 H +ATOM 1083 HD2 HIS H 57 19.857 -10.663 18.082 1.00 0.00 H +ATOM 1084 HE1 HIS H 57 17.696 -8.567 20.676 1.00 0.00 H +ATOM 1085 HE2 HIS H 57 17.630 -10.023 18.821 1.00 0.00 H +ATOM 1086 N CYS H 58 21.162 -7.480 16.573 1.00 0.00 N +ATOM 1087 CA CYS H 58 20.404 -7.435 15.314 1.00 0.00 C +ATOM 1088 C CYS H 58 21.393 -7.357 14.161 1.00 0.00 C +ATOM 1089 O CYS H 58 21.073 -7.788 13.002 1.00 0.00 O +ATOM 1090 CB CYS H 58 19.452 -6.233 15.351 1.00 0.00 C +ATOM 1091 SG CYS H 58 17.908 -6.450 16.200 1.00 0.00 S +ATOM 1092 H CYS H 58 21.198 -6.720 16.974 1.00 0.00 H +ATOM 1093 HA CYS H 58 19.864 -8.232 15.193 1.00 0.00 H +ATOM 1094 HB2 CYS H 58 19.921 -5.491 15.763 1.00 0.00 H +ATOM 1095 HB3 CYS H 58 19.259 -5.974 14.436 1.00 0.00 H +ATOM 1096 N LEU H 59 22.593 -6.891 14.408 1.00 0.00 N +ATOM 1097 CA LEU H 59 23.680 -6.754 13.463 1.00 0.00 C +ATOM 1098 C LEU H 59 24.783 -7.815 13.568 1.00 0.00 C +ATOM 1099 O LEU H 59 25.232 -8.411 12.550 1.00 0.00 O +ATOM 1100 CB LEU H 59 24.259 -5.291 13.685 1.00 0.00 C +ATOM 1101 CG LEU H 59 23.146 -4.244 13.617 1.00 0.00 C +ATOM 1102 CD1 LEU H 59 23.663 -2.816 13.656 1.00 0.00 C +ATOM 1103 CD2 LEU H 59 22.387 -4.443 12.282 1.00 0.00 C +ATOM 1104 H LEU H 59 22.815 -6.624 15.195 1.00 0.00 H +ATOM 1105 HA LEU H 59 23.335 -6.894 12.567 1.00 0.00 H +ATOM 1106 HB2 LEU H 59 24.701 -5.242 14.547 1.00 0.00 H +ATOM 1107 HB3 LEU H 59 24.930 -5.099 13.011 1.00 0.00 H +ATOM 1108 HG LEU H 59 22.579 -4.369 14.394 1.00 0.00 H +ATOM 1109 HD11 LEU H 59 22.915 -2.200 13.610 1.00 0.00 H +ATOM 1110 HD12 LEU H 59 24.151 -2.671 14.482 1.00 0.00 H +ATOM 1111 HD13 LEU H 59 24.253 -2.665 12.901 1.00 0.00 H +ATOM 1112 HD21 LEU H 59 21.674 -3.789 12.214 1.00 0.00 H +ATOM 1113 HD22 LEU H 59 23.001 -4.329 11.540 1.00 0.00 H +ATOM 1114 HD23 LEU H 59 22.010 -5.336 12.254 1.00 0.00 H +ATOM 1115 N LEU H 60 25.201 -8.120 14.782 1.00 0.00 N +ATOM 1116 CA LEU H 60 26.278 -9.007 15.153 1.00 0.00 C +ATOM 1117 C LEU H 60 25.885 -10.000 16.240 1.00 0.00 C +ATOM 1118 O LEU H 60 25.518 -9.621 17.359 1.00 0.00 O +ATOM 1119 CB LEU H 60 27.420 -8.078 15.617 1.00 0.00 C +ATOM 1120 CG LEU H 60 28.733 -8.748 16.006 1.00 0.00 C +ATOM 1121 CD1 LEU H 60 29.439 -9.283 14.782 1.00 0.00 C +ATOM 1122 CD2 LEU H 60 29.503 -7.709 16.813 1.00 0.00 C +ATOM 1123 H LEU H 60 24.823 -7.779 15.475 1.00 0.00 H +ATOM 1124 HA LEU H 60 26.539 -9.566 14.404 1.00 0.00 H +ATOM 1125 HB2 LEU H 60 27.603 -7.444 14.906 1.00 0.00 H +ATOM 1126 HB3 LEU H 60 27.104 -7.567 16.378 1.00 0.00 H +ATOM 1127 HG LEU H 60 28.619 -9.538 16.558 1.00 0.00 H +ATOM 1128 HD11 LEU H 60 30.271 -9.705 15.047 1.00 0.00 H +ATOM 1129 HD12 LEU H 60 28.872 -9.935 14.340 1.00 0.00 H +ATOM 1130 HD13 LEU H 60 29.627 -8.553 14.172 1.00 0.00 H +ATOM 1131 HD21 LEU H 60 30.355 -8.081 17.091 1.00 0.00 H +ATOM 1132 HD22 LEU H 60 29.657 -6.923 16.266 1.00 0.00 H +ATOM 1133 HD23 LEU H 60 28.988 -7.461 17.597 1.00 0.00 H +ATOM 1134 N TYR H 60A 25.957 -11.267 15.837 1.00 0.00 N +ATOM 1135 CA TYR H 60A 25.673 -12.418 16.727 1.00 0.00 C +ATOM 1136 C TYR H 60A 26.340 -13.689 16.132 1.00 0.00 C +ATOM 1137 O TYR H 60A 25.699 -14.467 15.411 1.00 0.00 O +ATOM 1138 CB TYR H 60A 24.158 -12.508 16.868 1.00 0.00 C +ATOM 1139 CG TYR H 60A 23.720 -13.399 17.987 1.00 0.00 C +ATOM 1140 CD1 TYR H 60A 24.249 -13.083 19.260 1.00 0.00 C +ATOM 1141 CD2 TYR H 60A 23.097 -14.614 17.801 1.00 0.00 C +ATOM 1142 CE1 TYR H 60A 24.002 -13.872 20.372 1.00 0.00 C +ATOM 1143 CE2 TYR H 60A 22.813 -15.429 18.930 1.00 0.00 C +ATOM 1144 CZ TYR H 60A 23.314 -15.083 20.168 1.00 0.00 C +ATOM 1145 OH TYR H 60A 23.066 -15.871 21.277 1.00 0.00 O +ATOM 1146 H TYR H 60A 26.173 -11.494 15.036 1.00 0.00 H +ATOM 1147 HA TYR H 60A 26.046 -12.318 17.617 1.00 0.00 H +ATOM 1148 HB2 TYR H 60A 23.799 -11.618 17.012 1.00 0.00 H +ATOM 1149 HB3 TYR H 60A 23.781 -12.835 16.036 1.00 0.00 H +ATOM 1150 HD1 TYR H 60A 24.778 -12.324 19.353 1.00 0.00 H +ATOM 1151 HD2 TYR H 60A 22.865 -14.897 16.946 1.00 0.00 H +ATOM 1152 HE1 TYR H 60A 24.280 -13.612 21.220 1.00 0.00 H +ATOM 1153 HE2 TYR H 60A 22.291 -16.193 18.835 1.00 0.00 H +ATOM 1154 HH TYR H 60A 23.241 -15.437 21.974 1.00 0.00 H +ATOM 1155 N PRO H 60B 27.600 -13.874 16.480 1.00 0.00 N +ATOM 1156 CA PRO H 60B 28.448 -14.983 15.967 1.00 0.00 C +ATOM 1157 C PRO H 60B 27.932 -16.385 16.186 1.00 0.00 C +ATOM 1158 O PRO H 60B 27.914 -17.165 15.184 1.00 0.00 O +ATOM 1159 CB PRO H 60B 29.870 -14.689 16.372 1.00 0.00 C +ATOM 1160 CG PRO H 60B 29.831 -13.312 16.946 1.00 0.00 C +ATOM 1161 CD PRO H 60B 28.395 -12.912 17.260 1.00 0.00 C +ATOM 1162 HA PRO H 60B 28.408 -14.998 14.998 1.00 0.00 H +ATOM 1163 HB2 PRO H 60B 30.190 -15.332 17.024 1.00 0.00 H +ATOM 1164 HB3 PRO H 60B 30.469 -14.735 15.610 1.00 0.00 H +ATOM 1165 HG2 PRO H 60B 30.368 -13.276 17.753 1.00 0.00 H +ATOM 1166 HG3 PRO H 60B 30.219 -12.682 16.319 1.00 0.00 H +ATOM 1167 HD2 PRO H 60B 28.205 -12.976 18.209 1.00 0.00 H +ATOM 1168 HD3 PRO H 60B 28.212 -11.997 16.995 1.00 0.00 H +ATOM 1169 N PRO H 60C 27.285 -16.707 17.273 1.00 0.00 N +ATOM 1170 CA PRO H 60C 26.623 -17.979 17.474 1.00 0.00 C +ATOM 1171 C PRO H 60C 25.660 -18.413 16.391 1.00 0.00 C +ATOM 1172 O PRO H 60C 25.399 -19.644 16.306 1.00 0.00 O +ATOM 1173 CB PRO H 60C 25.945 -17.899 18.845 1.00 0.00 C +ATOM 1174 CG PRO H 60C 26.557 -16.720 19.540 1.00 0.00 C +ATOM 1175 CD PRO H 60C 27.256 -15.899 18.485 1.00 0.00 C +ATOM 1176 HA PRO H 60C 27.296 -18.676 17.430 1.00 0.00 H +ATOM 1177 HB2 PRO H 60C 24.986 -17.788 18.752 1.00 0.00 H +ATOM 1178 HB3 PRO H 60C 26.089 -18.714 19.352 1.00 0.00 H +ATOM 1179 HG2 PRO H 60C 25.876 -16.194 19.988 1.00 0.00 H +ATOM 1180 HG3 PRO H 60C 27.185 -17.011 20.220 1.00 0.00 H +ATOM 1181 HD2 PRO H 60C 26.786 -15.065 18.331 1.00 0.00 H +ATOM 1182 HD3 PRO H 60C 28.155 -15.670 18.767 1.00 0.00 H +ATOM 1183 N TRP H 60D 25.180 -17.503 15.571 1.00 0.00 N +ATOM 1184 CA TRP H 60D 24.201 -17.774 14.504 1.00 0.00 C +ATOM 1185 C TRP H 60D 24.770 -17.257 13.172 1.00 0.00 C +ATOM 1186 O TRP H 60D 23.939 -17.082 12.277 1.00 0.00 O +ATOM 1187 CB TRP H 60D 22.844 -17.110 14.681 1.00 0.00 C +ATOM 1188 CG TRP H 60D 22.074 -17.541 15.876 1.00 0.00 C +ATOM 1189 CD1 TRP H 60D 22.243 -18.651 16.670 1.00 0.00 C +ATOM 1190 CD2 TRP H 60D 20.949 -16.823 16.422 1.00 0.00 C +ATOM 1191 NE1 TRP H 60D 21.252 -18.711 17.641 1.00 0.00 N +ATOM 1192 CE2 TRP H 60D 20.458 -17.593 17.503 1.00 0.00 C +ATOM 1193 CE3 TRP H 60D 20.350 -15.620 16.075 1.00 0.00 C +ATOM 1194 CZ2 TRP H 60D 19.378 -17.175 18.263 1.00 0.00 C +ATOM 1195 CZ3 TRP H 60D 19.245 -15.224 16.780 1.00 0.00 C +ATOM 1196 CH2 TRP H 60D 18.786 -15.981 17.882 1.00 0.00 C +ATOM 1197 H TRP H 60D 25.415 -16.677 15.610 1.00 0.00 H +ATOM 1198 HA TRP H 60D 24.058 -18.733 14.530 1.00 0.00 H +ATOM 1199 HB2 TRP H 60D 22.974 -16.150 14.728 1.00 0.00 H +ATOM 1200 HB3 TRP H 60D 22.310 -17.285 13.891 1.00 0.00 H +ATOM 1201 HD1 TRP H 60D 22.926 -19.275 16.571 1.00 0.00 H +ATOM 1202 HE1 TRP H 60D 21.152 -19.335 18.225 1.00 0.00 H +ATOM 1203 HE3 TRP H 60D 20.689 -15.098 15.384 1.00 0.00 H +ATOM 1204 HZ2 TRP H 60D 19.068 -17.668 18.988 1.00 0.00 H +ATOM 1205 HZ3 TRP H 60D 18.793 -14.450 16.532 1.00 0.00 H +ATOM 1206 HH2 TRP H 60D 18.059 -15.666 18.370 1.00 0.00 H +ATOM 1207 N ASP H 60E 26.052 -17.083 13.156 1.00 0.00 N +ATOM 1208 CA ASP H 60E 26.732 -16.550 11.989 1.00 0.00 C +ATOM 1209 C ASP H 60E 26.112 -15.225 11.500 1.00 0.00 C +ATOM 1210 O ASP H 60E 26.106 -15.023 10.266 1.00 0.00 O +ATOM 1211 CB ASP H 60E 26.802 -17.548 10.810 1.00 0.00 C +ATOM 1212 CG ASP H 60E 27.382 -18.890 11.319 1.00 0.00 C +ATOM 1213 OD1 ASP H 60E 28.583 -18.851 11.695 1.00 0.00 O +ATOM 1214 OD2 ASP H 60E 26.566 -19.861 11.372 1.00 0.00 O +ATOM 1215 H ASP H 60E 26.570 -17.267 13.817 1.00 0.00 H +ATOM 1216 HA ASP H 60E 27.638 -16.381 12.292 1.00 0.00 H +ATOM 1217 HB2 ASP H 60E 25.918 -17.686 10.435 1.00 0.00 H +ATOM 1218 HB3 ASP H 60E 27.359 -17.190 10.101 1.00 0.00 H +ATOM 1219 N LYS H 60F 25.684 -14.389 12.441 1.00 0.00 N +ATOM 1220 CA LYS H 60F 25.106 -13.083 11.987 1.00 0.00 C +ATOM 1221 C LYS H 60F 26.118 -11.974 12.051 1.00 0.00 C +ATOM 1222 O LYS H 60F 26.707 -11.750 13.139 1.00 0.00 O +ATOM 1223 CB LYS H 60F 23.881 -12.767 12.819 1.00 0.00 C +ATOM 1224 CG LYS H 60F 23.022 -11.695 12.111 1.00 0.00 C +ATOM 1225 CD LYS H 60F 22.048 -11.061 13.063 1.00 0.00 C +ATOM 1226 CE LYS H 60F 20.733 -11.725 13.306 1.00 0.00 C +ATOM 1227 NZ LYS H 60F 20.159 -11.274 14.674 1.00 0.00 N +ATOM 1228 H LYS H 60F 25.706 -14.525 13.290 1.00 0.00 H +ATOM 1229 HA LYS H 60F 24.846 -13.161 11.056 1.00 0.00 H +ATOM 1230 HB2 LYS H 60F 23.358 -13.572 12.956 1.00 0.00 H +ATOM 1231 HB3 LYS H 60F 24.149 -12.450 13.696 1.00 0.00 H +ATOM 1232 HG2 LYS H 60F 23.599 -11.013 11.733 1.00 0.00 H +ATOM 1233 HG3 LYS H 60F 22.540 -12.099 11.373 1.00 0.00 H +ATOM 1234 HD2 LYS H 60F 22.493 -10.972 13.920 1.00 0.00 H +ATOM 1235 HD3 LYS H 60F 21.868 -10.164 12.742 1.00 0.00 H +ATOM 1236 HE2 LYS H 60F 20.112 -11.500 12.596 1.00 0.00 H +ATOM 1237 HE3 LYS H 60F 20.841 -12.689 13.294 1.00 0.00 H +ATOM 1238 HZ1 LYS H 60F 19.481 -11.804 14.901 1.00 0.00 H +ATOM 1239 HZ2 LYS H 60F 20.795 -11.324 15.294 1.00 0.00 H +ATOM 1240 HZ3 LYS H 60F 19.871 -10.434 14.613 1.00 0.00 H +ATOM 1241 N ASN H 60G 26.403 -11.279 10.977 1.00 0.00 N +ATOM 1242 CA ASN H 60G 27.305 -10.133 10.957 1.00 0.00 C +ATOM 1243 C ASN H 60G 26.944 -9.137 9.856 1.00 0.00 C +ATOM 1244 O ASN H 60G 27.706 -8.998 8.854 1.00 0.00 O +ATOM 1245 CB ASN H 60G 28.773 -10.527 10.970 1.00 0.00 C +ATOM 1246 CG ASN H 60G 29.698 -9.332 11.063 1.00 0.00 C +ATOM 1247 OD1 ASN H 60G 29.248 -8.161 11.070 1.00 0.00 O +ATOM 1248 ND2 ASN H 60G 31.008 -9.531 11.107 1.00 0.00 N +ATOM 1249 H ASN H 60G 26.069 -11.460 10.205 1.00 0.00 H +ATOM 1250 HA ASN H 60G 27.172 -9.662 11.794 1.00 0.00 H +ATOM 1251 HB2 ASN H 60G 28.939 -11.119 11.721 1.00 0.00 H +ATOM 1252 HB3 ASN H 60G 28.977 -11.027 10.164 1.00 0.00 H +ATOM 1253 HD21 ASN H 60G 31.544 -8.859 11.140 1.00 0.00 H +ATOM 1254 HD22 ASN H 60G 31.322 -10.332 11.102 1.00 0.00 H +ATOM 1255 N PHE H 60H 25.908 -8.339 10.052 1.00 0.00 N +ATOM 1256 CA PHE H 60H 25.531 -7.328 9.037 1.00 0.00 C +ATOM 1257 C PHE H 60H 26.399 -6.094 8.962 1.00 0.00 C +ATOM 1258 O PHE H 60H 26.780 -5.435 9.924 1.00 0.00 O +ATOM 1259 CB PHE H 60H 24.070 -6.921 9.228 1.00 0.00 C +ATOM 1260 CG PHE H 60H 23.188 -8.104 8.963 1.00 0.00 C +ATOM 1261 CD1 PHE H 60H 23.252 -8.685 7.705 1.00 0.00 C +ATOM 1262 CD2 PHE H 60H 22.365 -8.606 9.953 1.00 0.00 C +ATOM 1263 CE1 PHE H 60H 22.463 -9.805 7.424 1.00 0.00 C +ATOM 1264 CE2 PHE H 60H 21.589 -9.745 9.709 1.00 0.00 C +ATOM 1265 CZ PHE H 60H 21.646 -10.321 8.417 1.00 0.00 C +ATOM 1266 H PHE H 60H 25.407 -8.354 10.751 1.00 0.00 H +ATOM 1267 HA PHE H 60H 25.672 -7.775 8.188 1.00 0.00 H +ATOM 1268 HB2 PHE H 60H 23.929 -6.595 10.131 1.00 0.00 H +ATOM 1269 HB3 PHE H 60H 23.844 -6.195 8.626 1.00 0.00 H +ATOM 1270 HD1 PHE H 60H 23.815 -8.333 7.054 1.00 0.00 H +ATOM 1271 HD2 PHE H 60H 22.327 -8.187 10.782 1.00 0.00 H +ATOM 1272 HE1 PHE H 60H 22.486 -10.198 6.582 1.00 0.00 H +ATOM 1273 HE2 PHE H 60H 21.053 -10.112 10.375 1.00 0.00 H +ATOM 1274 HZ PHE H 60H 21.121 -11.066 8.230 1.00 0.00 H +ATOM 1275 N THR H 60I 26.584 -5.674 7.714 1.00 0.00 N +ATOM 1276 CA THR H 60I 27.307 -4.487 7.237 1.00 0.00 C +ATOM 1277 C THR H 60I 26.333 -3.471 6.641 1.00 0.00 C +ATOM 1278 O THR H 60I 25.199 -3.842 6.232 1.00 0.00 O +ATOM 1279 CB THR H 60I 28.345 -5.038 6.176 1.00 0.00 C +ATOM 1280 OG1 THR H 60I 29.595 -4.921 6.927 1.00 0.00 O +ATOM 1281 CG2 THR H 60I 28.343 -4.445 4.768 1.00 0.00 C +ATOM 1282 H THR H 60I 26.257 -6.120 7.055 1.00 0.00 H +ATOM 1283 HA THR H 60I 27.765 -4.012 7.948 1.00 0.00 H +ATOM 1284 HB THR H 60I 28.127 -5.938 5.887 1.00 0.00 H +ATOM 1285 HG1 THR H 60I 30.245 -5.061 6.413 1.00 0.00 H +ATOM 1286 HG21 THR H 60I 29.027 -4.877 4.234 1.00 0.00 H +ATOM 1287 HG22 THR H 60I 27.475 -4.587 4.358 1.00 0.00 H +ATOM 1288 HG23 THR H 60I 28.525 -3.494 4.817 1.00 0.00 H +ATOM 1289 N GLU H 61 26.738 -2.212 6.599 1.00 0.00 N +ATOM 1290 CA GLU H 61 25.830 -1.152 6.114 1.00 0.00 C +ATOM 1291 C GLU H 61 25.228 -1.410 4.752 1.00 0.00 C +ATOM 1292 O GLU H 61 24.023 -1.110 4.462 1.00 0.00 O +ATOM 1293 CB GLU H 61 26.377 0.237 6.241 1.00 0.00 C +ATOM 1294 CG GLU H 61 27.692 0.726 6.531 1.00 0.00 C +ATOM 1295 CD GLU H 61 28.779 0.519 7.475 1.00 0.00 C +ATOM 1296 OE1 GLU H 61 28.774 0.220 8.653 1.00 0.00 O +ATOM 1297 OE2 GLU H 61 29.924 0.870 6.967 1.00 0.00 O +ATOM 1298 H GLU H 61 27.518 -1.941 6.839 1.00 0.00 H +ATOM 1299 HA GLU H 61 25.088 -1.202 6.737 1.00 0.00 H +ATOM 1300 HB2 GLU H 61 26.152 0.656 5.396 1.00 0.00 H +ATOM 1301 HB3 GLU H 61 25.819 0.648 6.919 1.00 0.00 H +ATOM 1302 HG2 GLU H 61 28.142 0.594 5.682 1.00 0.00 H +ATOM 1303 HG3 GLU H 61 27.531 1.678 6.622 1.00 0.00 H +ATOM 1304 N ASN H 62 25.991 -2.086 3.910 1.00 0.00 N +ATOM 1305 CA ASN H 62 25.548 -2.421 2.556 1.00 0.00 C +ATOM 1306 C ASN H 62 24.488 -3.505 2.511 1.00 0.00 C +ATOM 1307 O ASN H 62 23.793 -3.639 1.485 1.00 0.00 O +ATOM 1308 CB ASN H 62 26.796 -2.814 1.746 1.00 0.00 C +ATOM 1309 CG ASN H 62 27.441 -1.471 1.338 1.00 0.00 C +ATOM 1310 OD1 ASN H 62 26.762 -0.425 1.510 1.00 0.00 O +ATOM 1311 ND2 ASN H 62 28.691 -1.547 0.871 1.00 0.00 N +ATOM 1312 H ASN H 62 26.781 -2.366 4.102 1.00 0.00 H +ATOM 1313 HA ASN H 62 25.113 -1.645 2.169 1.00 0.00 H +ATOM 1314 HB2 ASN H 62 27.406 -3.350 2.277 1.00 0.00 H +ATOM 1315 HB3 ASN H 62 26.559 -3.341 0.967 1.00 0.00 H +ATOM 1316 HD21 ASN H 62 29.113 -0.830 0.653 1.00 0.00 H +ATOM 1317 HD22 ASN H 62 29.073 -2.313 0.789 1.00 0.00 H +ATOM 1318 N ASP H 63 24.400 -4.244 3.590 1.00 0.00 N +ATOM 1319 CA ASP H 63 23.471 -5.372 3.638 1.00 0.00 C +ATOM 1320 C ASP H 63 22.054 -4.951 3.909 1.00 0.00 C +ATOM 1321 O ASP H 63 21.159 -5.844 3.751 1.00 0.00 O +ATOM 1322 CB ASP H 63 23.994 -6.331 4.751 1.00 0.00 C +ATOM 1323 CG ASP H 63 25.419 -6.789 4.483 1.00 0.00 C +ATOM 1324 OD1 ASP H 63 25.792 -6.881 3.280 1.00 0.00 O +ATOM 1325 OD2 ASP H 63 26.200 -6.967 5.447 1.00 0.00 O +ATOM 1326 H ASP H 63 24.860 -4.121 4.306 1.00 0.00 H +ATOM 1327 HA ASP H 63 23.443 -5.810 2.773 1.00 0.00 H +ATOM 1328 HB2 ASP H 63 23.956 -5.881 5.609 1.00 0.00 H +ATOM 1329 HB3 ASP H 63 23.412 -7.105 4.810 1.00 0.00 H +ATOM 1330 N LEU H 64 21.837 -3.749 4.391 1.00 0.00 N +ATOM 1331 CA LEU H 64 20.502 -3.367 4.828 1.00 0.00 C +ATOM 1332 C LEU H 64 19.969 -2.015 4.354 1.00 0.00 C +ATOM 1333 O LEU H 64 20.710 -1.080 4.018 1.00 0.00 O +ATOM 1334 CB LEU H 64 20.416 -3.274 6.393 1.00 0.00 C +ATOM 1335 CG LEU H 64 21.474 -3.908 7.263 1.00 0.00 C +ATOM 1336 CD1 LEU H 64 21.892 -2.992 8.372 1.00 0.00 C +ATOM 1337 CD2 LEU H 64 20.849 -5.163 7.845 1.00 0.00 C +ATOM 1338 H LEU H 64 22.438 -3.139 4.476 1.00 0.00 H +ATOM 1339 HA LEU H 64 19.970 -4.073 4.428 1.00 0.00 H +ATOM 1340 HB2 LEU H 64 20.386 -2.332 6.621 1.00 0.00 H +ATOM 1341 HB3 LEU H 64 19.564 -3.657 6.655 1.00 0.00 H +ATOM 1342 HG LEU H 64 22.268 -4.103 6.741 1.00 0.00 H +ATOM 1343 HD11 LEU H 64 22.571 -3.426 8.912 1.00 0.00 H +ATOM 1344 HD12 LEU H 64 22.253 -2.173 7.997 1.00 0.00 H +ATOM 1345 HD13 LEU H 64 21.124 -2.783 8.926 1.00 0.00 H +ATOM 1346 HD21 LEU H 64 21.493 -5.611 8.416 1.00 0.00 H +ATOM 1347 HD22 LEU H 64 20.067 -4.923 8.366 1.00 0.00 H +ATOM 1348 HD23 LEU H 64 20.587 -5.758 7.125 1.00 0.00 H +ATOM 1349 N LEU H 65 18.682 -1.952 4.691 1.00 0.00 N +ATOM 1350 CA LEU H 65 17.833 -0.780 4.536 1.00 0.00 C +ATOM 1351 C LEU H 65 16.963 -0.558 5.821 1.00 0.00 C +ATOM 1352 O LEU H 65 16.419 -1.477 6.435 1.00 0.00 O +ATOM 1353 CB LEU H 65 16.917 -0.910 3.335 1.00 0.00 C +ATOM 1354 CG LEU H 65 17.316 -0.403 1.955 1.00 0.00 C +ATOM 1355 CD1 LEU H 65 18.737 -0.016 1.699 1.00 0.00 C +ATOM 1356 CD2 LEU H 65 16.882 -1.569 1.048 1.00 0.00 C +ATOM 1357 H LEU H 65 18.265 -2.623 5.031 1.00 0.00 H +ATOM 1358 HA LEU H 65 18.418 -0.018 4.400 1.00 0.00 H +ATOM 1359 HB2 LEU H 65 16.715 -1.854 3.238 1.00 0.00 H +ATOM 1360 HB3 LEU H 65 16.087 -0.465 3.567 1.00 0.00 H +ATOM 1361 HG LEU H 65 16.895 0.458 1.804 1.00 0.00 H +ATOM 1362 HD11 LEU H 65 18.831 0.284 0.781 1.00 0.00 H +ATOM 1363 HD12 LEU H 65 18.991 0.701 2.301 1.00 0.00 H +ATOM 1364 HD13 LEU H 65 19.313 -0.782 1.849 1.00 0.00 H +ATOM 1365 HD21 LEU H 65 17.090 -1.356 0.125 1.00 0.00 H +ATOM 1366 HD22 LEU H 65 17.355 -2.375 1.308 1.00 0.00 H +ATOM 1367 HD23 LEU H 65 15.927 -1.712 1.139 1.00 0.00 H +ATOM 1368 N VAL H 66 16.785 0.724 6.000 1.00 0.00 N +ATOM 1369 CA VAL H 66 15.968 1.356 7.049 1.00 0.00 C +ATOM 1370 C VAL H 66 14.672 1.913 6.436 1.00 0.00 C +ATOM 1371 O VAL H 66 14.736 2.714 5.500 1.00 0.00 O +ATOM 1372 CB VAL H 66 16.892 2.450 7.650 1.00 0.00 C +ATOM 1373 CG1 VAL H 66 16.134 3.662 8.122 1.00 0.00 C +ATOM 1374 CG2 VAL H 66 17.768 1.844 8.765 1.00 0.00 C +ATOM 1375 H VAL H 66 17.156 1.305 5.486 1.00 0.00 H +ATOM 1376 HA VAL H 66 15.674 0.745 7.743 1.00 0.00 H +ATOM 1377 HB VAL H 66 17.471 2.769 6.941 1.00 0.00 H +ATOM 1378 HG11 VAL H 66 16.756 4.311 8.487 1.00 0.00 H +ATOM 1379 HG12 VAL H 66 15.656 4.056 7.375 1.00 0.00 H +ATOM 1380 HG13 VAL H 66 15.501 3.401 8.809 1.00 0.00 H +ATOM 1381 HG21 VAL H 66 18.342 2.532 9.136 1.00 0.00 H +ATOM 1382 HG22 VAL H 66 17.200 1.486 9.465 1.00 0.00 H +ATOM 1383 HG23 VAL H 66 18.314 1.132 8.397 1.00 0.00 H +ATOM 1384 N ARG H 67 13.553 1.388 6.804 1.00 0.00 N +ATOM 1385 CA ARG H 67 12.219 1.741 6.379 1.00 0.00 C +ATOM 1386 C ARG H 67 11.403 2.350 7.511 1.00 0.00 C +ATOM 1387 O ARG H 67 11.020 1.701 8.516 1.00 0.00 O +ATOM 1388 CB ARG H 67 11.552 0.554 5.709 1.00 0.00 C +ATOM 1389 CG ARG H 67 12.466 -0.045 4.537 1.00 0.00 C +ATOM 1390 CD ARG H 67 11.842 -1.318 4.166 1.00 0.00 C +ATOM 1391 NE ARG H 67 10.444 -1.126 3.841 1.00 0.00 N +ATOM 1392 CZ ARG H 67 9.632 -1.921 3.157 1.00 0.00 C +ATOM 1393 NH1 ARG H 67 9.930 -3.182 2.773 1.00 0.00 N +ATOM 1394 NH2 ARG H 67 8.505 -1.454 2.633 1.00 0.00 N +ATOM 1395 H ARG H 67 13.539 0.743 7.372 1.00 0.00 H +ATOM 1396 HA ARG H 67 12.277 2.442 5.712 1.00 0.00 H +ATOM 1397 HB2 ARG H 67 11.376 -0.135 6.369 1.00 0.00 H +ATOM 1398 HB3 ARG H 67 10.694 0.825 5.346 1.00 0.00 H +ATOM 1399 HG2 ARG H 67 12.503 0.560 3.779 1.00 0.00 H +ATOM 1400 HG3 ARG H 67 13.378 -0.178 4.839 1.00 0.00 H +ATOM 1401 HD2 ARG H 67 12.306 -1.702 3.406 1.00 0.00 H +ATOM 1402 HD3 ARG H 67 11.925 -1.950 4.897 1.00 0.00 H +ATOM 1403 HE ARG H 67 10.092 -0.397 4.131 1.00 0.00 H +ATOM 1404 HH11 ARG H 67 10.694 -3.523 2.971 1.00 0.00 H +ATOM 1405 HH12 ARG H 67 9.355 -3.644 2.330 1.00 0.00 H +ATOM 1406 HH21 ARG H 67 8.294 -0.627 2.735 1.00 0.00 H +ATOM 1407 HH22 ARG H 67 7.986 -1.979 2.191 1.00 0.00 H +ATOM 1408 N ILE H 68 11.143 3.648 7.354 1.00 0.00 N +ATOM 1409 CA ILE H 68 10.420 4.543 8.231 1.00 0.00 C +ATOM 1410 C ILE H 68 9.002 4.962 7.834 1.00 0.00 C +ATOM 1411 O ILE H 68 8.762 5.324 6.690 1.00 0.00 O +ATOM 1412 CB ILE H 68 11.308 5.855 8.419 1.00 0.00 C +ATOM 1413 CG1 ILE H 68 12.784 5.462 8.162 1.00 0.00 C +ATOM 1414 CG2 ILE H 68 11.065 6.525 9.803 1.00 0.00 C +ATOM 1415 CD1 ILE H 68 13.727 6.594 8.656 1.00 0.00 C +ATOM 1416 H ILE H 68 11.419 4.062 6.653 1.00 0.00 H +ATOM 1417 HA ILE H 68 10.279 4.027 9.040 1.00 0.00 H +ATOM 1418 HB ILE H 68 11.054 6.538 7.779 1.00 0.00 H +ATOM 1419 HG12 ILE H 68 12.991 4.634 8.622 1.00 0.00 H +ATOM 1420 HG13 ILE H 68 12.925 5.303 7.215 1.00 0.00 H +ATOM 1421 HG21 ILE H 68 11.620 7.317 9.881 1.00 0.00 H +ATOM 1422 HG22 ILE H 68 10.131 6.776 9.882 1.00 0.00 H +ATOM 1423 HG23 ILE H 68 11.292 5.900 10.509 1.00 0.00 H +ATOM 1424 HD11 ILE H 68 14.649 6.342 8.492 1.00 0.00 H +ATOM 1425 HD12 ILE H 68 13.527 7.414 8.178 1.00 0.00 H +ATOM 1426 HD13 ILE H 68 13.595 6.734 9.607 1.00 0.00 H +ATOM 1427 N GLY H 69 8.093 5.047 8.809 1.00 0.00 N +ATOM 1428 CA GLY H 69 6.730 5.527 8.606 1.00 0.00 C +ATOM 1429 C GLY H 69 5.734 4.491 8.151 1.00 0.00 C +ATOM 1430 O GLY H 69 4.556 4.829 7.814 1.00 0.00 O +ATOM 1431 H GLY H 69 8.258 4.822 9.622 1.00 0.00 H +ATOM 1432 HA2 GLY H 69 6.413 5.913 9.438 1.00 0.00 H +ATOM 1433 HA3 GLY H 69 6.751 6.242 7.951 1.00 0.00 H +ATOM 1434 N LYS H 70 6.086 3.221 8.489 1.00 0.00 N +ATOM 1435 CA LYS H 70 5.287 2.069 8.062 1.00 0.00 C +ATOM 1436 C LYS H 70 4.201 1.702 9.068 1.00 0.00 C +ATOM 1437 O LYS H 70 4.273 2.003 10.268 1.00 0.00 O +ATOM 1438 CB LYS H 70 6.069 0.790 7.652 1.00 0.00 C +ATOM 1439 CG LYS H 70 7.233 0.949 6.677 1.00 0.00 C +ATOM 1440 CD LYS H 70 7.872 -0.445 6.363 1.00 0.00 C +ATOM 1441 CE LYS H 70 6.663 -1.421 6.078 1.00 0.00 C +ATOM 1442 NZ LYS H 70 5.914 -0.893 4.853 1.00 0.00 N +ATOM 1443 H LYS H 70 6.778 3.021 8.960 1.00 0.00 H +ATOM 1444 HA LYS H 70 4.886 2.400 7.243 1.00 0.00 H +ATOM 1445 HB2 LYS H 70 6.412 0.378 8.461 1.00 0.00 H +ATOM 1446 HB3 LYS H 70 5.437 0.166 7.262 1.00 0.00 H +ATOM 1447 HG2 LYS H 70 6.922 1.361 5.856 1.00 0.00 H +ATOM 1448 HG3 LYS H 70 7.902 1.541 7.056 1.00 0.00 H +ATOM 1449 HD2 LYS H 70 8.464 -0.391 5.596 1.00 0.00 H +ATOM 1450 HD3 LYS H 70 8.404 -0.760 7.110 1.00 0.00 H +ATOM 1451 HE2 LYS H 70 6.984 -2.322 5.918 1.00 0.00 H +ATOM 1452 HE3 LYS H 70 6.072 -1.463 6.846 1.00 0.00 H +ATOM 1453 HZ1 LYS H 70 5.310 -1.492 4.593 1.00 0.00 H +ATOM 1454 HZ2 LYS H 70 5.505 -0.130 5.061 1.00 0.00 H +ATOM 1455 HZ3 LYS H 70 6.491 -0.749 4.191 1.00 0.00 H +ATOM 1456 N HIS H 71 3.185 1.097 8.461 1.00 0.00 N +ATOM 1457 CA HIS H 71 2.015 0.611 9.196 1.00 0.00 C +ATOM 1458 C HIS H 71 1.851 -0.876 8.853 1.00 0.00 C +ATOM 1459 O HIS H 71 1.809 -1.771 9.698 1.00 0.00 O +ATOM 1460 CB HIS H 71 0.727 1.369 8.821 1.00 0.00 C +ATOM 1461 CG HIS H 71 -0.391 0.966 9.736 1.00 0.00 C +ATOM 1462 ND1 HIS H 71 -0.272 0.920 11.100 1.00 0.00 N +ATOM 1463 CD2 HIS H 71 -1.592 0.460 9.453 1.00 0.00 C +ATOM 1464 CE1 HIS H 71 -1.388 0.513 11.668 1.00 0.00 C +ATOM 1465 NE2 HIS H 71 -2.207 0.193 10.686 1.00 0.00 N +ATOM 1466 H HIS H 71 3.152 0.956 7.613 1.00 0.00 H +ATOM 1467 HA HIS H 71 2.156 0.753 10.145 1.00 0.00 H +ATOM 1468 HB2 HIS H 71 0.876 2.325 8.882 1.00 0.00 H +ATOM 1469 HB3 HIS H 71 0.487 1.178 7.901 1.00 0.00 H +ATOM 1470 HD1 HIS H 71 0.442 1.130 11.531 1.00 0.00 H +ATOM 1471 HD2 HIS H 71 -1.950 0.313 8.607 1.00 0.00 H +ATOM 1472 HE1 HIS H 71 -1.563 0.462 12.580 1.00 0.00 H +ATOM 1473 HE2 HIS H 71 -2.998 -0.130 10.786 1.00 0.00 H +ATOM 1474 N SER H 72 1.871 -1.153 7.547 1.00 0.00 N +ATOM 1475 CA SER H 72 1.706 -2.574 7.083 1.00 0.00 C +ATOM 1476 C SER H 72 3.071 -3.262 7.122 1.00 0.00 C +ATOM 1477 O SER H 72 4.094 -2.652 6.777 1.00 0.00 O +ATOM 1478 CB SER H 72 1.014 -2.551 5.737 1.00 0.00 C +ATOM 1479 OG SER H 72 1.210 -3.637 4.891 1.00 0.00 O +ATOM 1480 H SER H 72 1.974 -0.571 6.922 1.00 0.00 H +ATOM 1481 HA SER H 72 1.138 -3.106 7.662 1.00 0.00 H +ATOM 1482 HB2 SER H 72 0.061 -2.462 5.893 1.00 0.00 H +ATOM 1483 HB3 SER H 72 1.300 -1.752 5.268 1.00 0.00 H +ATOM 1484 HG SER H 72 1.327 -4.331 5.349 1.00 0.00 H +ATOM 1485 N ARG H 73 3.089 -4.524 7.589 1.00 0.00 N +ATOM 1486 CA ARG H 73 4.365 -5.278 7.599 1.00 0.00 C +ATOM 1487 C ARG H 73 4.966 -5.531 6.223 1.00 0.00 C +ATOM 1488 O ARG H 73 6.176 -5.267 6.001 1.00 0.00 O +ATOM 1489 CB ARG H 73 4.234 -6.604 8.371 1.00 0.00 C +ATOM 1490 CG ARG H 73 5.521 -7.479 8.320 1.00 0.00 C +ATOM 1491 CD ARG H 73 5.324 -8.665 9.243 1.00 0.00 C +ATOM 1492 NE ARG H 73 4.114 -9.424 8.865 1.00 0.00 N +ATOM 1493 CZ ARG H 73 4.127 -10.395 7.902 1.00 0.00 C +ATOM 1494 NH1 ARG H 73 5.251 -10.830 7.322 1.00 0.00 N +ATOM 1495 NH2 ARG H 73 2.957 -10.940 7.467 1.00 0.00 N +ATOM 1496 H ARG H 73 2.406 -4.949 7.893 1.00 0.00 H +ATOM 1497 HA ARG H 73 4.987 -4.693 8.060 1.00 0.00 H +ATOM 1498 HB2 ARG H 73 4.018 -6.411 9.297 1.00 0.00 H +ATOM 1499 HB3 ARG H 73 3.492 -7.111 8.006 1.00 0.00 H +ATOM 1500 HG2 ARG H 73 5.690 -7.780 7.413 1.00 0.00 H +ATOM 1501 HG3 ARG H 73 6.293 -6.961 8.595 1.00 0.00 H +ATOM 1502 HD2 ARG H 73 6.101 -9.245 9.203 1.00 0.00 H +ATOM 1503 HD3 ARG H 73 5.246 -8.358 10.160 1.00 0.00 H +ATOM 1504 HE ARG H 73 3.374 -9.249 9.266 1.00 0.00 H +ATOM 1505 HH11 ARG H 73 6.010 -10.497 7.551 1.00 0.00 H +ATOM 1506 HH12 ARG H 73 5.215 -11.443 6.720 1.00 0.00 H +ATOM 1507 HH21 ARG H 73 2.209 -10.674 7.798 1.00 0.00 H +ATOM 1508 HH22 ARG H 73 2.966 -11.551 6.861 1.00 0.00 H +ATOM 1509 N THR H 74 4.121 -5.911 5.228 1.00 0.00 N +ATOM 1510 CA THR H 74 4.679 -6.189 3.894 1.00 0.00 C +ATOM 1511 C THR H 74 4.368 -5.314 2.727 1.00 0.00 C +ATOM 1512 O THR H 74 5.255 -5.401 1.806 1.00 0.00 O +ATOM 1513 CB THR H 74 4.370 -7.686 3.512 1.00 0.00 C +ATOM 1514 OG1 THR H 74 2.910 -7.660 3.380 1.00 0.00 O +ATOM 1515 CG2 THR H 74 4.865 -8.667 4.579 1.00 0.00 C +ATOM 1516 H THR H 74 3.270 -6.007 5.305 1.00 0.00 H +ATOM 1517 HA THR H 74 5.616 -5.980 4.036 1.00 0.00 H +ATOM 1518 HB THR H 74 4.820 -7.995 2.710 1.00 0.00 H +ATOM 1519 HG1 THR H 74 2.634 -8.425 3.172 1.00 0.00 H +ATOM 1520 HG21 THR H 74 4.656 -9.574 4.307 1.00 0.00 H +ATOM 1521 HG22 THR H 74 5.825 -8.574 4.684 1.00 0.00 H +ATOM 1522 HG23 THR H 74 4.428 -8.475 5.423 1.00 0.00 H +ATOM 1523 N ARG H 75 3.366 -4.445 2.644 1.00 0.00 N +ATOM 1524 CA ARG H 75 3.243 -3.676 1.347 1.00 0.00 C +ATOM 1525 C ARG H 75 4.291 -2.605 1.273 1.00 0.00 C +ATOM 1526 O ARG H 75 4.730 -2.273 2.389 1.00 0.00 O +ATOM 1527 CB ARG H 75 1.898 -2.888 1.489 1.00 0.00 C +ATOM 1528 CG ARG H 75 0.938 -4.011 1.951 1.00 0.00 C +ATOM 1529 CD ARG H 75 1.473 -5.290 1.226 1.00 0.00 C +ATOM 1530 NE ARG H 75 0.352 -6.197 1.104 1.00 0.00 N +ATOM 1531 CZ ARG H 75 -0.891 -5.872 1.515 1.00 0.00 C +ATOM 1532 NH1 ARG H 75 -1.131 -4.753 2.191 1.00 0.00 N +ATOM 1533 NH2 ARG H 75 -1.967 -6.675 1.298 1.00 0.00 N +ATOM 1534 H ARG H 75 2.782 -4.276 3.252 1.00 0.00 H +ATOM 1535 HA ARG H 75 3.310 -4.275 0.587 1.00 0.00 H +ATOM 1536 HB2 ARG H 75 1.961 -2.170 2.138 1.00 0.00 H +ATOM 1537 HB3 ARG H 75 1.618 -2.488 0.651 1.00 0.00 H +ATOM 1538 HG2 ARG H 75 0.953 -4.117 2.915 1.00 0.00 H +ATOM 1539 HG3 ARG H 75 0.021 -3.819 1.701 1.00 0.00 H +ATOM 1540 HD2 ARG H 75 1.832 -5.066 0.353 1.00 0.00 H +ATOM 1541 HD3 ARG H 75 2.193 -5.698 1.733 1.00 0.00 H +ATOM 1542 HE ARG H 75 0.483 -6.973 0.756 1.00 0.00 H +ATOM 1543 HH11 ARG H 75 -0.486 -4.216 2.376 1.00 0.00 H +ATOM 1544 HH12 ARG H 75 -1.932 -4.566 2.443 1.00 0.00 H +ATOM 1545 HH21 ARG H 75 -1.869 -7.423 0.884 1.00 0.00 H +ATOM 1546 HH22 ARG H 75 -2.745 -6.435 1.575 1.00 0.00 H +ATOM 1547 N TYR H 76 4.564 -2.052 0.125 1.00 0.00 N +ATOM 1548 CA TYR H 76 5.491 -0.899 0.051 1.00 0.00 C +ATOM 1549 C TYR H 76 4.583 0.343 0.111 1.00 0.00 C +ATOM 1550 O TYR H 76 3.913 0.559 -0.879 1.00 0.00 O +ATOM 1551 CB TYR H 76 6.295 -0.961 -1.220 1.00 0.00 C +ATOM 1552 CG TYR H 76 6.885 0.383 -1.579 1.00 0.00 C +ATOM 1553 CD1 TYR H 76 7.994 0.877 -0.903 1.00 0.00 C +ATOM 1554 CD2 TYR H 76 6.337 1.093 -2.656 1.00 0.00 C +ATOM 1555 CE1 TYR H 76 8.528 2.116 -1.251 1.00 0.00 C +ATOM 1556 CE2 TYR H 76 6.835 2.362 -2.998 1.00 0.00 C +ATOM 1557 CZ TYR H 76 7.917 2.853 -2.282 1.00 0.00 C +ATOM 1558 OH TYR H 76 8.451 4.040 -2.663 1.00 0.00 O +ATOM 1559 H TYR H 76 4.240 -2.307 -0.630 1.00 0.00 H +ATOM 1560 HA TYR H 76 6.141 -0.887 0.771 1.00 0.00 H +ATOM 1561 HB2 TYR H 76 7.008 -1.611 -1.120 1.00 0.00 H +ATOM 1562 HB3 TYR H 76 5.730 -1.270 -1.945 1.00 0.00 H +ATOM 1563 HD1 TYR H 76 8.380 0.380 -0.218 1.00 0.00 H +ATOM 1564 HD2 TYR H 76 5.640 0.722 -3.147 1.00 0.00 H +ATOM 1565 HE1 TYR H 76 9.275 2.450 -0.809 1.00 0.00 H +ATOM 1566 HE2 TYR H 76 6.450 2.858 -3.684 1.00 0.00 H +ATOM 1567 HH TYR H 76 8.029 4.338 -3.325 1.00 0.00 H +ATOM 1568 N GLU H 77 4.431 0.999 1.222 1.00 0.00 N +ATOM 1569 CA GLU H 77 3.498 2.105 1.458 1.00 0.00 C +ATOM 1570 C GLU H 77 3.806 3.378 0.746 1.00 0.00 C +ATOM 1571 O GLU H 77 4.353 4.365 1.276 1.00 0.00 O +ATOM 1572 CB GLU H 77 3.407 2.195 2.991 1.00 0.00 C +ATOM 1573 CG GLU H 77 2.577 0.963 3.481 1.00 0.00 C +ATOM 1574 CD GLU H 77 2.489 0.840 4.983 1.00 0.00 C +ATOM 1575 OE1 GLU H 77 3.612 0.649 5.526 1.00 0.00 O +ATOM 1576 OE2 GLU H 77 1.401 0.887 5.544 1.00 0.00 O +ATOM 1577 H GLU H 77 4.895 0.811 1.921 1.00 0.00 H +ATOM 1578 HA GLU H 77 2.630 1.930 1.062 1.00 0.00 H +ATOM 1579 HB2 GLU H 77 4.292 2.190 3.387 1.00 0.00 H +ATOM 1580 HB3 GLU H 77 2.980 3.024 3.260 1.00 0.00 H +ATOM 1581 HG2 GLU H 77 1.680 1.024 3.118 1.00 0.00 H +ATOM 1582 HG3 GLU H 77 2.974 0.154 3.122 1.00 0.00 H +ATOM 1583 N ARG H 77A 3.571 3.379 -0.561 1.00 0.00 N +ATOM 1584 CA ARG H 77A 3.804 4.426 -1.524 1.00 0.00 C +ATOM 1585 C ARG H 77A 3.195 5.752 -1.019 1.00 0.00 C +ATOM 1586 O ARG H 77A 2.009 5.845 -0.659 1.00 0.00 O +ATOM 1587 CB ARG H 77A 3.159 4.040 -2.897 1.00 0.00 C +ATOM 1588 CG ARG H 77A 3.816 4.741 -4.083 1.00 0.00 C +ATOM 1589 CD ARG H 77A 3.437 4.298 -5.473 1.00 0.00 C +ATOM 1590 NE ARG H 77A 2.128 3.665 -5.673 1.00 0.00 N +ATOM 1591 CZ ARG H 77A 1.077 4.335 -6.131 1.00 0.00 C +ATOM 1592 NH1 ARG H 77A 1.189 5.587 -6.664 1.00 0.00 N +ATOM 1593 NH2 ARG H 77A -0.097 3.716 -6.129 1.00 0.00 N +ATOM 1594 H ARG H 77A 3.233 2.684 -0.939 1.00 0.00 H +ATOM 1595 HA ARG H 77A 4.760 4.539 -1.641 1.00 0.00 H +ATOM 1596 HB2 ARG H 77A 3.222 3.080 -3.020 1.00 0.00 H +ATOM 1597 HB3 ARG H 77A 2.215 4.262 -2.879 1.00 0.00 H +ATOM 1598 HG2 ARG H 77A 3.622 5.689 -4.011 1.00 0.00 H +ATOM 1599 HG3 ARG H 77A 4.776 4.640 -3.992 1.00 0.00 H +ATOM 1600 HD2 ARG H 77A 3.481 5.075 -6.053 1.00 0.00 H +ATOM 1601 HD3 ARG H 77A 4.115 3.676 -5.780 1.00 0.00 H +ATOM 1602 HE ARG H 77A 2.038 2.830 -5.487 1.00 0.00 H +ATOM 1603 HH11 ARG H 77A 1.959 5.967 -6.711 1.00 0.00 H +ATOM 1604 HH12 ARG H 77A 0.489 5.996 -6.952 1.00 0.00 H +ATOM 1605 HH21 ARG H 77A -0.157 2.909 -5.838 1.00 0.00 H +ATOM 1606 HH22 ARG H 77A -0.798 4.122 -6.419 1.00 0.00 H +ATOM 1607 N ASN H 78 4.108 6.718 -0.953 1.00 0.00 N +ATOM 1608 CA ASN H 78 3.784 8.084 -0.578 1.00 0.00 C +ATOM 1609 C ASN H 78 3.764 8.321 0.916 1.00 0.00 C +ATOM 1610 O ASN H 78 3.556 9.468 1.342 1.00 0.00 O +ATOM 1611 CB ASN H 78 2.491 8.493 -1.314 1.00 0.00 C +ATOM 1612 CG ASN H 78 2.627 8.906 -2.766 1.00 0.00 C +ATOM 1613 OD1 ASN H 78 1.629 9.398 -3.361 1.00 0.00 O +ATOM 1614 ND2 ASN H 78 3.724 8.775 -3.490 1.00 0.00 N +ATOM 1615 H ASN H 78 4.941 6.594 -1.127 1.00 0.00 H +ATOM 1616 HA ASN H 78 4.499 8.674 -0.865 1.00 0.00 H +ATOM 1617 HB2 ASN H 78 1.870 7.749 -1.269 1.00 0.00 H +ATOM 1618 HB3 ASN H 78 2.087 9.229 -0.828 1.00 0.00 H +ATOM 1619 HD21 ASN H 78 3.727 9.019 -4.315 1.00 0.00 H +ATOM 1620 HD22 ASN H 78 4.435 8.445 -3.137 1.00 0.00 H +ATOM 1621 N ILE H 79 3.853 7.285 1.726 1.00 0.00 N +ATOM 1622 CA ILE H 79 3.883 7.302 3.199 1.00 0.00 C +ATOM 1623 C ILE H 79 5.261 7.004 3.751 1.00 0.00 C +ATOM 1624 O ILE H 79 5.920 7.858 4.425 1.00 0.00 O +ATOM 1625 CB ILE H 79 2.752 6.370 3.741 1.00 0.00 C +ATOM 1626 CG1 ILE H 79 1.418 6.781 3.088 1.00 0.00 C +ATOM 1627 CG2 ILE H 79 2.631 6.398 5.303 1.00 0.00 C +ATOM 1628 CD1 ILE H 79 0.190 5.955 3.493 1.00 0.00 C +ATOM 1629 H ILE H 79 3.902 6.484 1.417 1.00 0.00 H +ATOM 1630 HA ILE H 79 3.698 8.198 3.520 1.00 0.00 H +ATOM 1631 HB ILE H 79 2.979 5.457 3.506 1.00 0.00 H +ATOM 1632 HG12 ILE H 79 1.246 7.711 3.303 1.00 0.00 H +ATOM 1633 HG13 ILE H 79 1.519 6.727 2.125 1.00 0.00 H +ATOM 1634 HG21 ILE H 79 1.917 5.804 5.583 1.00 0.00 H +ATOM 1635 HG22 ILE H 79 3.467 6.106 5.698 1.00 0.00 H +ATOM 1636 HG23 ILE H 79 2.434 7.301 5.596 1.00 0.00 H +ATOM 1637 HD11 ILE H 79 -0.593 6.291 3.030 1.00 0.00 H +ATOM 1638 HD12 ILE H 79 0.332 5.026 3.254 1.00 0.00 H +ATOM 1639 HD13 ILE H 79 0.054 6.025 4.451 1.00 0.00 H +ATOM 1640 N GLU H 80 5.809 5.817 3.449 1.00 0.00 N +ATOM 1641 CA GLU H 80 7.101 5.399 3.956 1.00 0.00 C +ATOM 1642 C GLU H 80 8.264 5.990 3.250 1.00 0.00 C +ATOM 1643 O GLU H 80 8.198 6.411 2.071 1.00 0.00 O +ATOM 1644 CB GLU H 80 7.168 3.868 3.981 1.00 0.00 C +ATOM 1645 CG GLU H 80 7.520 3.061 2.750 1.00 0.00 C +ATOM 1646 CD GLU H 80 7.650 1.549 2.894 1.00 0.00 C +ATOM 1647 OE1 GLU H 80 6.730 0.748 2.856 1.00 0.00 O +ATOM 1648 OE2 GLU H 80 8.877 1.286 3.059 1.00 0.00 O +ATOM 1649 H GLU H 80 5.430 5.236 2.940 1.00 0.00 H +ATOM 1650 HA GLU H 80 7.172 5.747 4.859 1.00 0.00 H +ATOM 1651 HB2 GLU H 80 7.811 3.627 4.667 1.00 0.00 H +ATOM 1652 HB3 GLU H 80 6.301 3.555 4.282 1.00 0.00 H +ATOM 1653 HG2 GLU H 80 6.845 3.238 2.077 1.00 0.00 H +ATOM 1654 HG3 GLU H 80 8.361 3.399 2.404 1.00 0.00 H +ATOM 1655 N LYS H 81 9.389 6.177 3.904 1.00 0.00 N +ATOM 1656 CA LYS H 81 10.660 6.610 3.340 1.00 0.00 C +ATOM 1657 C LYS H 81 11.657 5.450 3.591 1.00 0.00 C +ATOM 1658 O LYS H 81 11.694 4.955 4.731 1.00 0.00 O +ATOM 1659 CB LYS H 81 11.217 7.908 3.815 1.00 0.00 C +ATOM 1660 CG LYS H 81 10.327 9.132 3.487 1.00 0.00 C +ATOM 1661 CD LYS H 81 9.779 9.056 2.046 1.00 0.00 C +ATOM 1662 CE LYS H 81 8.732 10.148 1.736 1.00 0.00 C +ATOM 1663 NZ LYS H 81 7.551 9.561 0.984 1.00 0.00 N +ATOM 1664 H LYS H 81 9.441 6.046 4.752 1.00 0.00 H +ATOM 1665 HA LYS H 81 10.504 6.799 2.401 1.00 0.00 H +ATOM 1666 HB2 LYS H 81 11.347 7.862 4.775 1.00 0.00 H +ATOM 1667 HB3 LYS H 81 12.092 8.039 3.417 1.00 0.00 H +ATOM 1668 HG2 LYS H 81 9.588 9.175 4.114 1.00 0.00 H +ATOM 1669 HG3 LYS H 81 10.841 9.947 3.597 1.00 0.00 H +ATOM 1670 HD2 LYS H 81 10.516 9.136 1.421 1.00 0.00 H +ATOM 1671 HD3 LYS H 81 9.380 8.183 1.903 1.00 0.00 H +ATOM 1672 HE2 LYS H 81 8.426 10.553 2.563 1.00 0.00 H +ATOM 1673 HE3 LYS H 81 9.139 10.853 1.208 1.00 0.00 H +ATOM 1674 HZ1 LYS H 81 6.815 10.021 1.181 1.00 0.00 H +ATOM 1675 HZ2 LYS H 81 7.704 9.607 0.108 1.00 0.00 H +ATOM 1676 HZ3 LYS H 81 7.441 8.710 1.221 1.00 0.00 H +ATOM 1677 N ILE H 82 12.423 5.061 2.629 1.00 0.00 N +ATOM 1678 CA ILE H 82 13.373 3.931 2.706 1.00 0.00 C +ATOM 1679 C ILE H 82 14.758 4.548 2.636 1.00 0.00 C +ATOM 1680 O ILE H 82 14.934 5.287 1.631 1.00 0.00 O +ATOM 1681 CB ILE H 82 13.136 2.945 1.505 1.00 0.00 C +ATOM 1682 CG1 ILE H 82 11.748 2.308 1.522 1.00 0.00 C +ATOM 1683 CG2 ILE H 82 14.274 1.879 1.421 1.00 0.00 C +ATOM 1684 CD1 ILE H 82 11.376 1.077 0.680 1.00 0.00 C +ATOM 1685 H ILE H 82 12.427 5.448 1.861 1.00 0.00 H +ATOM 1686 HA ILE H 82 13.260 3.417 3.521 1.00 0.00 H +ATOM 1687 HB ILE H 82 13.169 3.476 0.694 1.00 0.00 H +ATOM 1688 HG12 ILE H 82 11.565 2.074 2.445 1.00 0.00 H +ATOM 1689 HG13 ILE H 82 11.122 3.007 1.277 1.00 0.00 H +ATOM 1690 HG21 ILE H 82 14.106 1.284 0.674 1.00 0.00 H +ATOM 1691 HG22 ILE H 82 15.126 2.324 1.293 1.00 0.00 H +ATOM 1692 HG23 ILE H 82 14.298 1.366 2.244 1.00 0.00 H +ATOM 1693 HD11 ILE H 82 10.449 0.841 0.843 1.00 0.00 H +ATOM 1694 HD12 ILE H 82 11.497 1.280 -0.261 1.00 0.00 H +ATOM 1695 HD13 ILE H 82 11.947 0.332 0.926 1.00 0.00 H +ATOM 1696 N SER H 83 15.646 4.438 3.589 1.00 0.00 N +ATOM 1697 CA SER H 83 16.961 5.056 3.554 1.00 0.00 C +ATOM 1698 C SER H 83 18.081 3.961 3.590 1.00 0.00 C +ATOM 1699 O SER H 83 17.815 2.811 3.978 1.00 0.00 O +ATOM 1700 CB SER H 83 17.290 5.973 4.715 1.00 0.00 C +ATOM 1701 OG SER H 83 16.199 6.714 5.173 1.00 0.00 O +ATOM 1702 H SER H 83 15.503 3.986 4.306 1.00 0.00 H +ATOM 1703 HA SER H 83 16.934 5.578 2.737 1.00 0.00 H +ATOM 1704 HB2 SER H 83 17.640 5.442 5.447 1.00 0.00 H +ATOM 1705 HB3 SER H 83 17.994 6.583 4.445 1.00 0.00 H +ATOM 1706 HG SER H 83 16.454 7.249 5.768 1.00 0.00 H +ATOM 1707 N MET H 84 19.245 4.534 3.344 1.00 0.00 N +ATOM 1708 CA MET H 84 20.521 3.863 3.314 1.00 0.00 C +ATOM 1709 C MET H 84 21.367 4.317 4.516 1.00 0.00 C +ATOM 1710 O MET H 84 21.299 5.495 4.910 1.00 0.00 O +ATOM 1711 CB MET H 84 21.347 4.103 2.044 1.00 0.00 C +ATOM 1712 CG MET H 84 20.779 3.285 0.899 1.00 0.00 C +ATOM 1713 SD MET H 84 21.774 3.722 -0.624 1.00 0.00 S +ATOM 1714 CE MET H 84 21.115 2.376 -1.672 1.00 0.00 C +ATOM 1715 H MET H 84 19.312 5.376 3.181 1.00 0.00 H +ATOM 1716 HA MET H 84 20.311 2.916 3.341 1.00 0.00 H +ATOM 1717 HB2 MET H 84 21.337 5.046 1.815 1.00 0.00 H +ATOM 1718 HB3 MET H 84 22.273 3.858 2.199 1.00 0.00 H +ATOM 1719 HG2 MET H 84 20.842 2.336 1.090 1.00 0.00 H +ATOM 1720 HG3 MET H 84 19.840 3.486 0.765 1.00 0.00 H +ATOM 1721 HE1 MET H 84 21.521 2.422 -2.552 1.00 0.00 H +ATOM 1722 HE2 MET H 84 21.320 1.519 -1.266 1.00 0.00 H +ATOM 1723 HE3 MET H 84 20.153 2.472 -1.755 1.00 0.00 H +ATOM 1724 N LEU H 85 22.224 3.401 4.930 1.00 0.00 N +ATOM 1725 CA LEU H 85 23.116 3.624 6.071 1.00 0.00 C +ATOM 1726 C LEU H 85 24.442 4.196 5.629 1.00 0.00 C +ATOM 1727 O LEU H 85 24.943 3.730 4.587 1.00 0.00 O +ATOM 1728 CB LEU H 85 23.354 2.258 6.775 1.00 0.00 C +ATOM 1729 CG LEU H 85 22.042 1.540 7.165 1.00 0.00 C +ATOM 1730 CD1 LEU H 85 22.308 0.353 8.063 1.00 0.00 C +ATOM 1731 CD2 LEU H 85 21.224 2.612 7.880 1.00 0.00 C +ATOM 1732 H LEU H 85 22.311 2.629 4.562 1.00 0.00 H +ATOM 1733 HA LEU H 85 22.703 4.261 6.675 1.00 0.00 H +ATOM 1734 HB2 LEU H 85 23.869 1.683 6.187 1.00 0.00 H +ATOM 1735 HB3 LEU H 85 23.888 2.400 7.572 1.00 0.00 H +ATOM 1736 HG LEU H 85 21.577 1.177 6.395 1.00 0.00 H +ATOM 1737 HD11 LEU H 85 21.468 -0.076 8.290 1.00 0.00 H +ATOM 1738 HD12 LEU H 85 22.880 -0.280 7.602 1.00 0.00 H +ATOM 1739 HD13 LEU H 85 22.747 0.653 8.874 1.00 0.00 H +ATOM 1740 HD21 LEU H 85 20.374 2.237 8.161 1.00 0.00 H +ATOM 1741 HD22 LEU H 85 21.711 2.926 8.658 1.00 0.00 H +ATOM 1742 HD23 LEU H 85 21.066 3.355 7.277 1.00 0.00 H +ATOM 1743 N GLU H 86 24.954 5.100 6.412 1.00 0.00 N +ATOM 1744 CA GLU H 86 26.302 5.620 6.171 1.00 0.00 C +ATOM 1745 C GLU H 86 27.278 4.867 7.100 1.00 0.00 C +ATOM 1746 O GLU H 86 28.480 4.606 6.828 1.00 0.00 O +ATOM 1747 CB GLU H 86 26.368 7.088 6.510 1.00 0.00 C +ATOM 1748 CG GLU H 86 27.195 8.002 5.617 1.00 0.00 C +ATOM 1749 CD GLU H 86 27.721 9.226 6.355 1.00 0.00 C +ATOM 1750 OE1 GLU H 86 27.111 10.275 6.580 1.00 0.00 O +ATOM 1751 OE2 GLU H 86 28.898 8.953 6.773 1.00 0.00 O +ATOM 1752 H GLU H 86 24.552 5.438 7.093 1.00 0.00 H +ATOM 1753 HA GLU H 86 26.532 5.497 5.237 1.00 0.00 H +ATOM 1754 HB2 GLU H 86 25.460 7.429 6.522 1.00 0.00 H +ATOM 1755 HB3 GLU H 86 26.713 7.167 7.413 1.00 0.00 H +ATOM 1756 HG2 GLU H 86 27.943 7.502 5.253 1.00 0.00 H +ATOM 1757 HG3 GLU H 86 26.654 8.290 4.865 1.00 0.00 H +ATOM 1758 N LYS H 87 26.788 4.540 8.309 1.00 0.00 N +ATOM 1759 CA LYS H 87 27.694 3.950 9.302 1.00 0.00 C +ATOM 1760 C LYS H 87 26.905 3.289 10.417 1.00 0.00 C +ATOM 1761 O LYS H 87 25.850 3.872 10.783 1.00 0.00 O +ATOM 1762 CB LYS H 87 28.487 5.091 9.939 1.00 0.00 C +ATOM 1763 CG LYS H 87 29.988 4.855 10.068 1.00 0.00 C +ATOM 1764 CD LYS H 87 30.305 3.597 10.872 1.00 0.00 C +ATOM 1765 CE LYS H 87 31.637 2.993 10.428 1.00 0.00 C +ATOM 1766 NZ LYS H 87 31.628 1.487 10.684 1.00 0.00 N +ATOM 1767 H LYS H 87 25.973 4.646 8.562 1.00 0.00 H +ATOM 1768 HA LYS H 87 28.262 3.296 8.866 1.00 0.00 H +ATOM 1769 HB2 LYS H 87 28.346 5.895 9.414 1.00 0.00 H +ATOM 1770 HB3 LYS H 87 28.125 5.262 10.823 1.00 0.00 H +ATOM 1771 HG2 LYS H 87 30.379 4.779 9.184 1.00 0.00 H +ATOM 1772 HG3 LYS H 87 30.399 5.623 10.495 1.00 0.00 H +ATOM 1773 HD2 LYS H 87 30.341 3.812 11.817 1.00 0.00 H +ATOM 1774 HD3 LYS H 87 29.595 2.946 10.756 1.00 0.00 H +ATOM 1775 HE2 LYS H 87 31.784 3.169 9.486 1.00 0.00 H +ATOM 1776 HE3 LYS H 87 32.368 3.408 10.912 1.00 0.00 H +ATOM 1777 HZ1 LYS H 87 32.404 1.242 11.045 1.00 0.00 H +ATOM 1778 HZ2 LYS H 87 30.965 1.284 11.242 1.00 0.00 H +ATOM 1779 HZ3 LYS H 87 31.510 1.056 9.915 1.00 0.00 H +ATOM 1780 N ILE H 88 27.523 2.270 10.938 1.00 0.00 N +ATOM 1781 CA ILE H 88 26.986 1.500 12.077 1.00 0.00 C +ATOM 1782 C ILE H 88 27.980 1.557 13.262 1.00 0.00 C +ATOM 1783 O ILE H 88 29.162 1.372 13.048 1.00 0.00 O +ATOM 1784 CB ILE H 88 26.800 0.000 11.642 1.00 0.00 C +ATOM 1785 CG1 ILE H 88 25.660 -0.173 10.621 1.00 0.00 C +ATOM 1786 CG2 ILE H 88 26.696 -0.930 12.876 1.00 0.00 C +ATOM 1787 CD1 ILE H 88 25.376 -1.701 10.344 1.00 0.00 C +ATOM 1788 H ILE H 88 28.281 1.982 10.652 1.00 0.00 H +ATOM 1789 HA ILE H 88 26.135 1.879 12.348 1.00 0.00 H +ATOM 1790 HB ILE H 88 27.598 -0.279 11.167 1.00 0.00 H +ATOM 1791 HG12 ILE H 88 24.855 0.254 10.954 1.00 0.00 H +ATOM 1792 HG13 ILE H 88 25.894 0.272 9.791 1.00 0.00 H +ATOM 1793 HG21 ILE H 88 26.582 -1.847 12.582 1.00 0.00 H +ATOM 1794 HG22 ILE H 88 27.506 -0.859 13.404 1.00 0.00 H +ATOM 1795 HG23 ILE H 88 25.934 -0.667 13.416 1.00 0.00 H +ATOM 1796 HD11 ILE H 88 24.656 -1.785 9.700 1.00 0.00 H +ATOM 1797 HD12 ILE H 88 26.176 -2.120 9.991 1.00 0.00 H +ATOM 1798 HD13 ILE H 88 25.121 -2.138 11.172 1.00 0.00 H +ATOM 1799 N TYR H 89 27.515 1.807 14.438 1.00 0.00 N +ATOM 1800 CA TYR H 89 28.282 1.884 15.683 1.00 0.00 C +ATOM 1801 C TYR H 89 27.655 0.938 16.712 1.00 0.00 C +ATOM 1802 O TYR H 89 26.424 0.977 16.982 1.00 0.00 O +ATOM 1803 CB TYR H 89 28.416 3.310 16.186 1.00 0.00 C +ATOM 1804 CG TYR H 89 28.913 4.302 15.133 1.00 0.00 C +ATOM 1805 CD1 TYR H 89 28.031 4.801 14.168 1.00 0.00 C +ATOM 1806 CD2 TYR H 89 30.232 4.780 15.125 1.00 0.00 C +ATOM 1807 CE1 TYR H 89 28.440 5.733 13.222 1.00 0.00 C +ATOM 1808 CE2 TYR H 89 30.662 5.717 14.192 1.00 0.00 C +ATOM 1809 CZ TYR H 89 29.748 6.201 13.256 1.00 0.00 C +ATOM 1810 OH TYR H 89 30.191 7.062 12.281 1.00 0.00 O +ATOM 1811 H TYR H 89 26.677 1.952 14.566 1.00 0.00 H +ATOM 1812 HA TYR H 89 29.193 1.594 15.518 1.00 0.00 H +ATOM 1813 HB2 TYR H 89 27.554 3.608 16.516 1.00 0.00 H +ATOM 1814 HB3 TYR H 89 29.027 3.320 16.939 1.00 0.00 H +ATOM 1815 HD1 TYR H 89 27.150 4.502 14.160 1.00 0.00 H +ATOM 1816 HD2 TYR H 89 30.833 4.462 15.759 1.00 0.00 H +ATOM 1817 HE1 TYR H 89 27.846 6.039 12.575 1.00 0.00 H +ATOM 1818 HE2 TYR H 89 31.543 6.016 14.192 1.00 0.00 H +ATOM 1819 HH TYR H 89 30.732 7.611 12.616 1.00 0.00 H +ATOM 1820 N ILE H 90 28.524 0.022 17.157 1.00 0.00 N +ATOM 1821 CA ILE H 90 28.155 -1.024 18.112 1.00 0.00 C +ATOM 1822 C ILE H 90 28.833 -0.774 19.438 1.00 0.00 C +ATOM 1823 O ILE H 90 30.053 -0.538 19.442 1.00 0.00 O +ATOM 1824 CB ILE H 90 28.434 -2.478 17.541 1.00 0.00 C +ATOM 1825 CG1 ILE H 90 27.322 -2.825 16.539 1.00 0.00 C +ATOM 1826 CG2 ILE H 90 28.469 -3.605 18.620 1.00 0.00 C +ATOM 1827 CD1 ILE H 90 27.750 -3.836 15.469 1.00 0.00 C +ATOM 1828 H ILE H 90 29.347 -0.007 16.910 1.00 0.00 H +ATOM 1829 HA ILE H 90 27.197 -0.985 18.259 1.00 0.00 H +ATOM 1830 HB ILE H 90 29.316 -2.446 17.139 1.00 0.00 H +ATOM 1831 HG12 ILE H 90 26.561 -3.181 17.023 1.00 0.00 H +ATOM 1832 HG13 ILE H 90 27.025 -2.011 16.103 1.00 0.00 H +ATOM 1833 HG21 ILE H 90 28.644 -4.458 18.192 1.00 0.00 H +ATOM 1834 HG22 ILE H 90 29.171 -3.416 19.263 1.00 0.00 H +ATOM 1835 HG23 ILE H 90 27.614 -3.642 19.077 1.00 0.00 H +ATOM 1836 HD11 ILE H 90 27.006 -4.010 14.872 1.00 0.00 H +ATOM 1837 HD12 ILE H 90 28.493 -3.475 14.961 1.00 0.00 H +ATOM 1838 HD13 ILE H 90 28.022 -4.663 15.896 1.00 0.00 H +ATOM 1839 N HIS H 91 28.133 -0.872 20.546 1.00 0.00 N +ATOM 1840 CA HIS H 91 28.818 -0.646 21.855 1.00 0.00 C +ATOM 1841 C HIS H 91 30.060 -1.541 21.931 1.00 0.00 C +ATOM 1842 O HIS H 91 30.101 -2.766 21.639 1.00 0.00 O +ATOM 1843 CB HIS H 91 27.872 -0.832 23.023 1.00 0.00 C +ATOM 1844 CG HIS H 91 28.421 -0.247 24.290 1.00 0.00 C +ATOM 1845 ND1 HIS H 91 29.561 -0.720 24.882 1.00 0.00 N +ATOM 1846 CD2 HIS H 91 27.929 0.718 25.114 1.00 0.00 C +ATOM 1847 CE1 HIS H 91 29.705 -0.108 26.054 1.00 0.00 C +ATOM 1848 NE2 HIS H 91 28.737 0.735 26.234 1.00 0.00 N +ATOM 1849 H HIS H 91 27.295 -1.059 20.591 1.00 0.00 H +ATOM 1850 HA HIS H 91 29.111 0.277 21.914 1.00 0.00 H +ATOM 1851 HB2 HIS H 91 27.020 -0.415 22.818 1.00 0.00 H +ATOM 1852 HB3 HIS H 91 27.701 -1.778 23.152 1.00 0.00 H +ATOM 1853 HD1 HIS H 91 30.092 -1.311 24.553 1.00 0.00 H +ATOM 1854 HD2 HIS H 91 27.191 1.261 24.954 1.00 0.00 H +ATOM 1855 HE1 HIS H 91 30.398 -0.262 26.655 1.00 0.00 H +ATOM 1856 HE2 HIS H 91 28.618 1.222 26.933 1.00 0.00 H +ATOM 1857 N PRO H 92 31.203 -0.900 22.198 1.00 0.00 N +ATOM 1858 CA PRO H 92 32.487 -1.612 22.266 1.00 0.00 C +ATOM 1859 C PRO H 92 32.448 -2.718 23.318 1.00 0.00 C +ATOM 1860 O PRO H 92 33.086 -3.776 23.024 1.00 0.00 O +ATOM 1861 CB PRO H 92 33.529 -0.562 22.512 1.00 0.00 C +ATOM 1862 CG PRO H 92 32.824 0.697 22.753 1.00 0.00 C +ATOM 1863 CD PRO H 92 31.340 0.499 22.580 1.00 0.00 C +ATOM 1864 HA PRO H 92 32.695 -2.081 21.443 1.00 0.00 H +ATOM 1865 HB2 PRO H 92 34.080 -0.798 23.275 1.00 0.00 H +ATOM 1866 HB3 PRO H 92 34.122 -0.482 21.748 1.00 0.00 H +ATOM 1867 HG2 PRO H 92 33.013 1.016 23.650 1.00 0.00 H +ATOM 1868 HG3 PRO H 92 33.141 1.377 22.138 1.00 0.00 H +ATOM 1869 HD2 PRO H 92 30.860 0.690 23.401 1.00 0.00 H +ATOM 1870 HD3 PRO H 92 30.982 1.088 21.898 1.00 0.00 H +ATOM 1871 N ARG H 93 31.618 -2.662 24.335 1.00 0.00 N +ATOM 1872 CA ARG H 93 31.559 -3.739 25.325 1.00 0.00 C +ATOM 1873 C ARG H 93 30.283 -4.560 25.337 1.00 0.00 C +ATOM 1874 O ARG H 93 29.925 -5.023 26.460 1.00 0.00 O +ATOM 1875 CB ARG H 93 31.812 -3.199 26.767 1.00 0.00 C +ATOM 1876 CG ARG H 93 33.186 -2.542 26.793 1.00 0.00 C +ATOM 1877 CD ARG H 93 33.533 -2.057 28.177 1.00 0.00 C +ATOM 1878 NE ARG H 93 33.596 -3.176 29.077 1.00 0.00 N +ATOM 1879 CZ ARG H 93 33.914 -3.353 30.350 1.00 0.00 C +ATOM 1880 NH1 ARG H 93 34.306 -2.346 31.120 1.00 0.00 N +ATOM 1881 NH2 ARG H 93 33.801 -4.582 30.927 1.00 0.00 N +ATOM 1882 H ARG H 93 31.074 -2.012 24.480 1.00 0.00 H +ATOM 1883 HA ARG H 93 32.267 -4.338 25.041 1.00 0.00 H +ATOM 1884 HB2 ARG H 93 31.126 -2.559 27.014 1.00 0.00 H +ATOM 1885 HB3 ARG H 93 31.770 -3.923 27.412 1.00 0.00 H +ATOM 1886 HG2 ARG H 93 33.856 -3.176 26.492 1.00 0.00 H +ATOM 1887 HG3 ARG H 93 33.202 -1.796 26.173 1.00 0.00 H +ATOM 1888 HD2 ARG H 93 34.385 -1.593 28.163 1.00 0.00 H +ATOM 1889 HD3 ARG H 93 32.868 -1.421 28.483 1.00 0.00 H +ATOM 1890 HE ARG H 93 33.372 -3.913 28.694 1.00 0.00 H +ATOM 1891 HH11 ARG H 93 34.359 -1.552 30.795 1.00 0.00 H +ATOM 1892 HH12 ARG H 93 34.507 -2.488 31.944 1.00 0.00 H +ATOM 1893 HH21 ARG H 93 33.521 -5.250 30.464 1.00 0.00 H +ATOM 1894 HH22 ARG H 93 34.009 -4.689 31.754 1.00 0.00 H +ATOM 1895 N TYR H 94 29.603 -4.707 24.239 1.00 0.00 N +ATOM 1896 CA TYR H 94 28.402 -5.542 24.062 1.00 0.00 C +ATOM 1897 C TYR H 94 28.829 -7.005 24.347 1.00 0.00 C +ATOM 1898 O TYR H 94 29.861 -7.422 23.803 1.00 0.00 O +ATOM 1899 CB TYR H 94 27.952 -5.341 22.604 1.00 0.00 C +ATOM 1900 CG TYR H 94 27.211 -6.461 21.905 1.00 0.00 C +ATOM 1901 CD1 TYR H 94 26.112 -7.080 22.506 1.00 0.00 C +ATOM 1902 CD2 TYR H 94 27.622 -6.908 20.642 1.00 0.00 C +ATOM 1903 CE1 TYR H 94 25.405 -8.093 21.886 1.00 0.00 C +ATOM 1904 CE2 TYR H 94 26.933 -7.966 20.026 1.00 0.00 C +ATOM 1905 CZ TYR H 94 25.802 -8.467 20.588 1.00 0.00 C +ATOM 1906 OH TYR H 94 25.149 -9.521 19.977 1.00 0.00 O +ATOM 1907 H TYR H 94 29.827 -4.303 23.514 1.00 0.00 H +ATOM 1908 HA TYR H 94 27.668 -5.315 24.654 1.00 0.00 H +ATOM 1909 HB2 TYR H 94 27.386 -4.554 22.578 1.00 0.00 H +ATOM 1910 HB3 TYR H 94 28.742 -5.140 22.079 1.00 0.00 H +ATOM 1911 HD1 TYR H 94 25.847 -6.801 23.353 1.00 0.00 H +ATOM 1912 HD2 TYR H 94 28.345 -6.508 20.215 1.00 0.00 H +ATOM 1913 HE1 TYR H 94 24.692 -8.513 22.311 1.00 0.00 H +ATOM 1914 HE2 TYR H 94 27.253 -8.325 19.230 1.00 0.00 H +ATOM 1915 HH TYR H 94 25.288 -9.495 19.149 1.00 0.00 H +ATOM 1916 N ASN H 95 28.123 -7.754 25.157 1.00 0.00 N +ATOM 1917 CA ASN H 95 28.528 -9.143 25.477 1.00 0.00 C +ATOM 1918 C ASN H 95 27.701 -10.179 24.715 1.00 0.00 C +ATOM 1919 O ASN H 95 26.649 -10.626 25.228 1.00 0.00 O +ATOM 1920 CB ASN H 95 28.402 -9.345 27.011 1.00 0.00 C +ATOM 1921 CG ASN H 95 29.227 -10.571 27.463 1.00 0.00 C +ATOM 1922 OD1 ASN H 95 29.662 -11.473 26.741 1.00 0.00 O +ATOM 1923 ND2 ASN H 95 29.503 -10.686 28.756 1.00 0.00 N +ATOM 1924 H ASN H 95 27.400 -7.495 25.544 1.00 0.00 H +ATOM 1925 HA ASN H 95 29.447 -9.276 25.196 1.00 0.00 H +ATOM 1926 HB2 ASN H 95 28.712 -8.551 27.474 1.00 0.00 H +ATOM 1927 HB3 ASN H 95 27.470 -9.468 27.251 1.00 0.00 H +ATOM 1928 HD21 ASN H 95 29.958 -11.358 29.040 1.00 0.00 H +ATOM 1929 HD22 ASN H 95 29.227 -10.088 29.309 1.00 0.00 H +ATOM 1930 N TRP H 96 28.093 -10.528 23.517 1.00 0.00 N +ATOM 1931 CA TRP H 96 27.323 -11.532 22.741 1.00 0.00 C +ATOM 1932 C TRP H 96 27.664 -12.922 23.304 1.00 0.00 C +ATOM 1933 O TRP H 96 26.842 -13.829 23.056 1.00 0.00 O +ATOM 1934 CB TRP H 96 27.553 -11.438 21.257 1.00 0.00 C +ATOM 1935 CG TRP H 96 28.965 -11.512 20.836 1.00 0.00 C +ATOM 1936 CD1 TRP H 96 29.784 -10.453 20.532 1.00 0.00 C +ATOM 1937 CD2 TRP H 96 29.784 -12.699 20.660 1.00 0.00 C +ATOM 1938 NE1 TRP H 96 31.090 -10.896 20.319 1.00 0.00 N +ATOM 1939 CE2 TRP H 96 31.062 -12.280 20.265 1.00 0.00 C +ATOM 1940 CE3 TRP H 96 29.522 -14.083 20.793 1.00 0.00 C +ATOM 1941 CZ2 TRP H 96 32.093 -13.197 20.011 1.00 0.00 C +ATOM 1942 CZ3 TRP H 96 30.512 -14.995 20.464 1.00 0.00 C +ATOM 1943 CH2 TRP H 96 31.764 -14.543 20.150 1.00 0.00 C +ATOM 1944 H TRP H 96 28.788 -10.215 23.119 1.00 0.00 H +ATOM 1945 HA TRP H 96 26.375 -11.357 22.844 1.00 0.00 H +ATOM 1946 HB2 TRP H 96 27.063 -12.153 20.822 1.00 0.00 H +ATOM 1947 HB3 TRP H 96 27.178 -10.602 20.938 1.00 0.00 H +ATOM 1948 HD1 TRP H 96 29.508 -9.567 20.476 1.00 0.00 H +ATOM 1949 HE1 TRP H 96 31.787 -10.399 20.236 1.00 0.00 H +ATOM 1950 HE3 TRP H 96 28.694 -14.377 21.098 1.00 0.00 H +ATOM 1951 HZ2 TRP H 96 32.946 -12.922 19.764 1.00 0.00 H +ATOM 1952 HZ3 TRP H 96 30.327 -15.906 20.457 1.00 0.00 H +ATOM 1953 HH2 TRP H 96 32.436 -15.173 20.022 1.00 0.00 H +ATOM 1954 N ARG H 97 28.823 -13.078 23.936 1.00 0.00 N +ATOM 1955 CA ARG H 97 29.239 -14.360 24.463 1.00 0.00 C +ATOM 1956 C ARG H 97 28.423 -14.925 25.610 1.00 0.00 C +ATOM 1957 O ARG H 97 28.320 -16.183 25.651 1.00 0.00 O +ATOM 1958 CB ARG H 97 30.719 -14.416 24.901 1.00 0.00 C +ATOM 1959 CG ARG H 97 31.698 -14.150 23.794 1.00 0.00 C +ATOM 1960 CD ARG H 97 33.094 -14.110 24.309 1.00 0.00 C +ATOM 1961 NE ARG H 97 34.014 -14.308 23.169 1.00 0.00 N +ATOM 1962 CZ ARG H 97 34.232 -15.543 22.658 1.00 0.00 C +ATOM 1963 NH1 ARG H 97 33.740 -16.686 23.182 1.00 0.00 N +ATOM 1964 NH2 ARG H 97 34.840 -15.484 21.469 1.00 0.00 N +ATOM 1965 H ARG H 97 29.386 -12.441 24.068 1.00 0.00 H +ATOM 1966 HA ARG H 97 29.085 -14.912 23.681 1.00 0.00 H +ATOM 1967 HB2 ARG H 97 30.861 -13.767 25.608 1.00 0.00 H +ATOM 1968 HB3 ARG H 97 30.902 -15.291 25.278 1.00 0.00 H +ATOM 1969 HG2 ARG H 97 31.620 -14.840 23.117 1.00 0.00 H +ATOM 1970 HG3 ARG H 97 31.484 -13.307 23.365 1.00 0.00 H +ATOM 1971 HD2 ARG H 97 33.270 -13.260 24.742 1.00 0.00 H +ATOM 1972 HD3 ARG H 97 33.228 -14.801 24.976 1.00 0.00 H +ATOM 1973 HE ARG H 97 34.416 -13.630 22.826 1.00 0.00 H +ATOM 1974 HH11 ARG H 97 33.251 -16.659 23.889 1.00 0.00 H +ATOM 1975 HH12 ARG H 97 33.916 -17.441 22.809 1.00 0.00 H +ATOM 1976 HH21 ARG H 97 35.041 -14.721 21.126 1.00 0.00 H +ATOM 1977 HH22 ARG H 97 35.030 -16.209 21.047 1.00 0.00 H +ATOM 1978 N GLU H 97A 27.881 -14.127 26.505 1.00 0.00 N +ATOM 1979 CA GLU H 97A 27.153 -14.692 27.617 1.00 0.00 C +ATOM 1980 C GLU H 97A 25.734 -14.232 27.746 1.00 0.00 C +ATOM 1981 O GLU H 97A 24.803 -15.115 27.582 1.00 0.00 O +ATOM 1982 CB GLU H 97A 27.961 -14.426 28.898 1.00 0.00 C +ATOM 1983 CG GLU H 97A 27.400 -14.884 30.254 1.00 0.00 C +ATOM 1984 CD GLU H 97A 28.057 -14.080 31.384 1.00 0.00 C +ATOM 1985 OE1 GLU H 97A 29.076 -13.373 31.102 1.00 0.00 O +ATOM 1986 OE2 GLU H 97A 27.521 -14.193 32.523 1.00 0.00 O +ATOM 1987 H GLU H 97A 27.921 -13.268 26.489 1.00 0.00 H +ATOM 1988 HA GLU H 97A 27.064 -15.644 27.454 1.00 0.00 H +ATOM 1989 HB2 GLU H 97A 28.829 -14.844 28.786 1.00 0.00 H +ATOM 1990 HB3 GLU H 97A 28.112 -13.469 28.954 1.00 0.00 H +ATOM 1991 HG2 GLU H 97A 26.438 -14.760 30.274 1.00 0.00 H +ATOM 1992 HG3 GLU H 97A 27.567 -15.831 30.380 1.00 0.00 H +ATOM 1993 N ASN H 98 25.444 -12.940 27.972 1.00 0.00 N +ATOM 1994 CA ASN H 98 24.050 -12.544 28.272 1.00 0.00 C +ATOM 1995 C ASN H 98 23.481 -11.374 27.511 1.00 0.00 C +ATOM 1996 O ASN H 98 22.469 -10.835 28.083 1.00 0.00 O +ATOM 1997 CB ASN H 98 23.920 -12.387 29.839 1.00 0.00 C +ATOM 1998 CG ASN H 98 24.930 -11.361 30.328 1.00 0.00 C +ATOM 1999 OD1 ASN H 98 25.695 -10.868 29.480 1.00 0.00 O +ATOM 2000 ND2 ASN H 98 25.028 -10.855 31.532 1.00 0.00 N +ATOM 2001 H ASN H 98 26.015 -12.297 27.958 1.00 0.00 H +ATOM 2002 HA ASN H 98 23.484 -13.258 27.939 1.00 0.00 H +ATOM 2003 HB2 ASN H 98 23.021 -12.108 30.073 1.00 0.00 H +ATOM 2004 HB3 ASN H 98 24.074 -13.240 30.274 1.00 0.00 H +ATOM 2005 HD21 ASN H 98 25.593 -10.226 31.689 1.00 0.00 H +ATOM 2006 HD22 ASN H 98 24.527 -11.151 32.165 1.00 0.00 H +ATOM 2007 N LEU H 99 24.035 -10.884 26.425 1.00 0.00 N +ATOM 2008 CA LEU H 99 23.556 -9.730 25.646 1.00 0.00 C +ATOM 2009 C LEU H 99 23.618 -8.415 26.484 1.00 0.00 C +ATOM 2010 O LEU H 99 22.670 -7.606 26.425 1.00 0.00 O +ATOM 2011 CB LEU H 99 22.120 -9.891 25.087 1.00 0.00 C +ATOM 2012 CG LEU H 99 21.802 -11.074 24.211 1.00 0.00 C +ATOM 2013 CD1 LEU H 99 20.488 -11.025 23.466 1.00 0.00 C +ATOM 2014 CD2 LEU H 99 22.976 -11.188 23.230 1.00 0.00 C +ATOM 2015 H LEU H 99 24.748 -11.229 26.089 1.00 0.00 H +ATOM 2016 HA LEU H 99 24.160 -9.682 24.888 1.00 0.00 H +ATOM 2017 HB2 LEU H 99 21.513 -9.916 25.843 1.00 0.00 H +ATOM 2018 HB3 LEU H 99 21.911 -9.089 24.582 1.00 0.00 H +ATOM 2019 HG LEU H 99 21.691 -11.848 24.784 1.00 0.00 H +ATOM 2020 HD11 LEU H 99 20.386 -11.831 22.936 1.00 0.00 H +ATOM 2021 HD12 LEU H 99 19.758 -10.961 24.101 1.00 0.00 H +ATOM 2022 HD13 LEU H 99 20.476 -10.251 22.881 1.00 0.00 H +ATOM 2023 HD21 LEU H 99 22.828 -11.939 22.634 1.00 0.00 H +ATOM 2024 HD22 LEU H 99 23.044 -10.372 22.710 1.00 0.00 H +ATOM 2025 HD23 LEU H 99 23.799 -11.326 23.725 1.00 0.00 H +ATOM 2026 N ASP H 100 24.648 -8.358 27.314 1.00 0.00 N +ATOM 2027 CA ASP H 100 24.856 -7.147 28.169 1.00 0.00 C +ATOM 2028 C ASP H 100 25.351 -6.045 27.190 1.00 0.00 C +ATOM 2029 O ASP H 100 26.204 -6.333 26.372 1.00 0.00 O +ATOM 2030 CB ASP H 100 25.791 -7.467 29.308 1.00 0.00 C +ATOM 2031 CG ASP H 100 25.960 -6.336 30.331 1.00 0.00 C +ATOM 2032 OD1 ASP H 100 24.958 -5.669 30.643 1.00 0.00 O +ATOM 2033 OD2 ASP H 100 27.110 -6.133 30.708 1.00 0.00 O +ATOM 2034 H ASP H 100 25.234 -8.980 27.412 1.00 0.00 H +ATOM 2035 HA ASP H 100 24.054 -6.834 28.616 1.00 0.00 H +ATOM 2036 HB2 ASP H 100 25.464 -8.257 29.767 1.00 0.00 H +ATOM 2037 HB3 ASP H 100 26.662 -7.691 28.943 1.00 0.00 H +ATOM 2038 N ARG H 101 24.771 -4.887 27.334 1.00 0.00 N +ATOM 2039 CA ARG H 101 24.982 -3.692 26.508 1.00 0.00 C +ATOM 2040 C ARG H 101 24.514 -3.906 25.065 1.00 0.00 C +ATOM 2041 O ARG H 101 25.248 -3.643 24.125 1.00 0.00 O +ATOM 2042 CB ARG H 101 26.397 -3.081 26.554 1.00 0.00 C +ATOM 2043 CG ARG H 101 26.983 -3.072 27.967 1.00 0.00 C +ATOM 2044 CD ARG H 101 28.373 -2.520 27.975 1.00 0.00 C +ATOM 2045 NE ARG H 101 28.817 -2.378 29.363 1.00 0.00 N +ATOM 2046 CZ ARG H 101 29.399 -3.396 30.045 1.00 0.00 C +ATOM 2047 NH1 ARG H 101 29.553 -4.628 29.537 1.00 0.00 N +ATOM 2048 NH2 ARG H 101 30.035 -3.052 31.149 1.00 0.00 N +ATOM 2049 H ARG H 101 24.197 -4.749 27.959 1.00 0.00 H +ATOM 2050 HA ARG H 101 24.419 -3.022 26.928 1.00 0.00 H +ATOM 2051 HB2 ARG H 101 26.983 -3.584 25.967 1.00 0.00 H +ATOM 2052 HB3 ARG H 101 26.366 -2.173 26.214 1.00 0.00 H +ATOM 2053 HG2 ARG H 101 26.418 -2.541 28.550 1.00 0.00 H +ATOM 2054 HG3 ARG H 101 26.989 -3.974 28.323 1.00 0.00 H +ATOM 2055 HD2 ARG H 101 28.971 -3.110 27.490 1.00 0.00 H +ATOM 2056 HD3 ARG H 101 28.396 -1.661 27.526 1.00 0.00 H +ATOM 2057 HE ARG H 101 28.705 -1.623 29.760 1.00 0.00 H +ATOM 2058 HH11 ARG H 101 29.276 -4.803 28.742 1.00 0.00 H +ATOM 2059 HH12 ARG H 101 29.928 -5.243 30.007 1.00 0.00 H +ATOM 2060 HH21 ARG H 101 30.060 -2.227 31.392 1.00 0.00 H +ATOM 2061 HH22 ARG H 101 30.425 -3.652 31.626 1.00 0.00 H +ATOM 2062 N ASP H 102 23.310 -4.461 24.975 1.00 0.00 N +ATOM 2063 CA ASP H 102 22.779 -4.792 23.602 1.00 0.00 C +ATOM 2064 C ASP H 102 22.248 -3.505 22.931 1.00 0.00 C +ATOM 2065 O ASP H 102 21.054 -3.213 23.022 1.00 0.00 O +ATOM 2066 CB ASP H 102 21.716 -5.860 23.861 1.00 0.00 C +ATOM 2067 CG ASP H 102 21.188 -6.467 22.583 1.00 0.00 C +ATOM 2068 OD1 ASP H 102 21.927 -6.290 21.568 1.00 0.00 O +ATOM 2069 OD2 ASP H 102 20.161 -7.128 22.698 1.00 0.00 O +ATOM 2070 H ASP H 102 22.795 -4.653 25.636 1.00 0.00 H +ATOM 2071 HA ASP H 102 23.441 -5.133 22.980 1.00 0.00 H +ATOM 2072 HB2 ASP H 102 22.093 -6.560 24.417 1.00 0.00 H +ATOM 2073 HB3 ASP H 102 20.981 -5.468 24.358 1.00 0.00 H +ATOM 2074 N ILE H 103 23.152 -2.716 22.371 1.00 0.00 N +ATOM 2075 CA ILE H 103 22.777 -1.411 21.774 1.00 0.00 C +ATOM 2076 C ILE H 103 23.700 -1.036 20.626 1.00 0.00 C +ATOM 2077 O ILE H 103 24.928 -1.351 20.664 1.00 0.00 O +ATOM 2078 CB ILE H 103 22.751 -0.333 22.922 1.00 0.00 C +ATOM 2079 CG1 ILE H 103 22.082 0.934 22.411 1.00 0.00 C +ATOM 2080 CG2 ILE H 103 24.188 -0.002 23.464 1.00 0.00 C +ATOM 2081 CD1 ILE H 103 21.661 1.951 23.455 1.00 0.00 C +ATOM 2082 H ILE H 103 23.990 -2.904 22.319 1.00 0.00 H +ATOM 2083 HA ILE H 103 21.892 -1.465 21.380 1.00 0.00 H +ATOM 2084 HB ILE H 103 22.245 -0.703 23.663 1.00 0.00 H +ATOM 2085 HG12 ILE H 103 22.690 1.369 21.792 1.00 0.00 H +ATOM 2086 HG13 ILE H 103 21.296 0.678 21.904 1.00 0.00 H +ATOM 2087 HG21 ILE H 103 24.124 0.664 24.167 1.00 0.00 H +ATOM 2088 HG22 ILE H 103 24.594 -0.808 23.819 1.00 0.00 H +ATOM 2089 HG23 ILE H 103 24.735 0.343 22.741 1.00 0.00 H +ATOM 2090 HD11 ILE H 103 21.249 2.712 23.018 1.00 0.00 H +ATOM 2091 HD12 ILE H 103 21.025 1.545 24.064 1.00 0.00 H +ATOM 2092 HD13 ILE H 103 22.440 2.247 23.951 1.00 0.00 H +ATOM 2093 N ALA H 104 23.142 -0.378 19.594 1.00 0.00 N +ATOM 2094 CA ALA H 104 23.835 0.100 18.418 1.00 0.00 C +ATOM 2095 C ALA H 104 23.131 1.371 17.889 1.00 0.00 C +ATOM 2096 O ALA H 104 21.886 1.473 17.976 1.00 0.00 O +ATOM 2097 CB ALA H 104 23.806 -0.911 17.271 1.00 0.00 C +ATOM 2098 H ALA H 104 22.302 -0.196 19.575 1.00 0.00 H +ATOM 2099 HA ALA H 104 24.753 0.263 18.687 1.00 0.00 H +ATOM 2100 HB1 ALA H 104 24.281 -0.548 16.507 1.00 0.00 H +ATOM 2101 HB2 ALA H 104 24.232 -1.735 17.555 1.00 0.00 H +ATOM 2102 HB3 ALA H 104 22.886 -1.092 17.022 1.00 0.00 H +ATOM 2103 N LEU H 105 23.936 2.166 17.199 1.00 0.00 N +ATOM 2104 CA LEU H 105 23.494 3.354 16.465 1.00 0.00 C +ATOM 2105 C LEU H 105 23.746 3.207 14.975 1.00 0.00 C +ATOM 2106 O LEU H 105 24.837 2.709 14.567 1.00 0.00 O +ATOM 2107 CB LEU H 105 24.265 4.578 16.989 1.00 0.00 C +ATOM 2108 CG LEU H 105 23.733 5.038 18.337 1.00 0.00 C +ATOM 2109 CD1 LEU H 105 24.706 5.968 19.033 1.00 0.00 C +ATOM 2110 CD2 LEU H 105 22.396 5.706 18.057 1.00 0.00 C +ATOM 2111 H LEU H 105 24.783 2.029 17.140 1.00 0.00 H +ATOM 2112 HA LEU H 105 22.540 3.465 16.603 1.00 0.00 H +ATOM 2113 HB2 LEU H 105 25.206 4.358 17.069 1.00 0.00 H +ATOM 2114 HB3 LEU H 105 24.197 5.303 16.348 1.00 0.00 H +ATOM 2115 HG LEU H 105 23.621 4.291 18.946 1.00 0.00 H +ATOM 2116 HD11 LEU H 105 24.337 6.242 19.887 1.00 0.00 H +ATOM 2117 HD12 LEU H 105 25.547 5.507 19.177 1.00 0.00 H +ATOM 2118 HD13 LEU H 105 24.857 6.751 18.481 1.00 0.00 H +ATOM 2119 HD21 LEU H 105 22.010 6.020 18.890 1.00 0.00 H +ATOM 2120 HD22 LEU H 105 22.529 6.458 17.459 1.00 0.00 H +ATOM 2121 HD23 LEU H 105 21.795 5.067 17.644 1.00 0.00 H +ATOM 2122 N MET H 106 22.840 3.706 14.174 1.00 0.00 N +ATOM 2123 CA MET H 106 23.021 3.701 12.702 1.00 0.00 C +ATOM 2124 C MET H 106 22.822 5.150 12.229 1.00 0.00 C +ATOM 2125 O MET H 106 21.790 5.748 12.597 1.00 0.00 O +ATOM 2126 CB MET H 106 22.035 2.747 11.987 1.00 0.00 C +ATOM 2127 CG MET H 106 22.226 1.376 12.633 1.00 0.00 C +ATOM 2128 SD MET H 106 20.825 0.334 12.124 1.00 0.00 S +ATOM 2129 CE MET H 106 21.579 -0.475 10.724 1.00 0.00 C +ATOM 2130 H MET H 106 22.103 4.059 14.441 1.00 0.00 H +ATOM 2131 HA MET H 106 23.906 3.373 12.480 1.00 0.00 H +ATOM 2132 HB2 MET H 106 21.120 3.054 12.089 1.00 0.00 H +ATOM 2133 HB3 MET H 106 22.217 2.710 11.035 1.00 0.00 H +ATOM 2134 HG2 MET H 106 23.066 0.980 12.352 1.00 0.00 H +ATOM 2135 HG3 MET H 106 22.259 1.455 13.599 1.00 0.00 H +ATOM 2136 HE1 MET H 106 20.943 -1.087 10.323 1.00 0.00 H +ATOM 2137 HE2 MET H 106 21.844 0.190 10.070 1.00 0.00 H +ATOM 2138 HE3 MET H 106 22.361 -0.968 11.018 1.00 0.00 H +ATOM 2139 N LYS H 107 23.747 5.597 11.403 1.00 0.00 N +ATOM 2140 CA LYS H 107 23.650 6.995 10.902 1.00 0.00 C +ATOM 2141 C LYS H 107 23.259 6.964 9.438 1.00 0.00 C +ATOM 2142 O LYS H 107 23.885 6.226 8.671 1.00 0.00 O +ATOM 2143 CB LYS H 107 24.856 7.831 11.172 1.00 0.00 C +ATOM 2144 CG LYS H 107 25.695 8.119 9.966 1.00 0.00 C +ATOM 2145 CD LYS H 107 26.512 9.388 10.225 1.00 0.00 C +ATOM 2146 CE LYS H 107 25.679 10.619 9.974 1.00 0.00 C +ATOM 2147 NZ LYS H 107 26.483 11.829 10.369 1.00 0.00 N +ATOM 2148 H LYS H 107 24.420 5.144 11.118 1.00 0.00 H +ATOM 2149 HA LYS H 107 22.956 7.446 11.408 1.00 0.00 H +ATOM 2150 HB2 LYS H 107 24.572 8.672 11.562 1.00 0.00 H +ATOM 2151 HB3 LYS H 107 25.405 7.382 11.834 1.00 0.00 H +ATOM 2152 HG2 LYS H 107 26.285 7.372 9.781 1.00 0.00 H +ATOM 2153 HG3 LYS H 107 25.132 8.236 9.185 1.00 0.00 H +ATOM 2154 HD2 LYS H 107 26.833 9.390 11.140 1.00 0.00 H +ATOM 2155 HD3 LYS H 107 27.293 9.398 9.650 1.00 0.00 H +ATOM 2156 HE2 LYS H 107 25.429 10.671 9.038 1.00 0.00 H +ATOM 2157 HE3 LYS H 107 24.856 10.579 10.486 1.00 0.00 H +ATOM 2158 HZ1 LYS H 107 25.990 12.356 10.890 1.00 0.00 H +ATOM 2159 HZ2 LYS H 107 27.210 11.571 10.812 1.00 0.00 H +ATOM 2160 HZ3 LYS H 107 26.725 12.276 9.639 1.00 0.00 H +ATOM 2161 N LEU H 108 22.112 7.625 9.145 1.00 0.00 N +ATOM 2162 CA LEU H 108 21.548 7.590 7.788 1.00 0.00 C +ATOM 2163 C LEU H 108 22.453 8.326 6.797 1.00 0.00 C +ATOM 2164 O LEU H 108 23.058 9.313 7.145 1.00 0.00 O +ATOM 2165 CB LEU H 108 20.131 8.134 7.859 1.00 0.00 C +ATOM 2166 CG LEU H 108 19.165 7.535 8.901 1.00 0.00 C +ATOM 2167 CD1 LEU H 108 17.759 8.055 8.603 1.00 0.00 C +ATOM 2168 CD2 LEU H 108 19.206 6.038 8.814 1.00 0.00 C +ATOM 2169 H LEU H 108 21.660 8.088 9.712 1.00 0.00 H +ATOM 2170 HA LEU H 108 21.503 6.682 7.449 1.00 0.00 H +ATOM 2171 HB2 LEU H 108 20.189 9.088 8.025 1.00 0.00 H +ATOM 2172 HB3 LEU H 108 19.728 8.022 6.984 1.00 0.00 H +ATOM 2173 HG LEU H 108 19.422 7.795 9.799 1.00 0.00 H +ATOM 2174 HD11 LEU H 108 17.135 7.689 9.249 1.00 0.00 H +ATOM 2175 HD12 LEU H 108 17.753 9.023 8.661 1.00 0.00 H +ATOM 2176 HD13 LEU H 108 17.496 7.783 7.710 1.00 0.00 H +ATOM 2177 HD21 LEU H 108 18.599 5.659 9.469 1.00 0.00 H +ATOM 2178 HD22 LEU H 108 18.938 5.758 7.925 1.00 0.00 H +ATOM 2179 HD23 LEU H 108 20.108 5.728 8.992 1.00 0.00 H +ATOM 2180 N LYS H 109 22.415 7.868 5.575 1.00 0.00 N +ATOM 2181 CA LYS H 109 23.174 8.530 4.464 1.00 0.00 C +ATOM 2182 C LYS H 109 22.724 9.974 4.255 1.00 0.00 C +ATOM 2183 O LYS H 109 23.525 10.930 4.093 1.00 0.00 O +ATOM 2184 CB LYS H 109 22.990 7.701 3.214 1.00 0.00 C +ATOM 2185 CG LYS H 109 24.191 7.595 2.310 1.00 0.00 C +ATOM 2186 CD LYS H 109 24.837 6.223 2.361 1.00 0.00 C +ATOM 2187 CE LYS H 109 25.541 5.808 1.088 1.00 0.00 C +ATOM 2188 NZ LYS H 109 24.641 4.951 0.238 1.00 0.00 N +ATOM 2189 H LYS H 109 21.964 7.176 5.335 1.00 0.00 H +ATOM 2190 HA LYS H 109 24.116 8.575 4.692 1.00 0.00 H +ATOM 2191 HB2 LYS H 109 22.725 6.806 3.477 1.00 0.00 H +ATOM 2192 HB3 LYS H 109 22.255 8.076 2.704 1.00 0.00 H +ATOM 2193 HG2 LYS H 109 23.924 7.790 1.398 1.00 0.00 H +ATOM 2194 HG3 LYS H 109 24.844 8.266 2.564 1.00 0.00 H +ATOM 2195 HD2 LYS H 109 25.477 6.207 3.090 1.00 0.00 H +ATOM 2196 HD3 LYS H 109 24.155 5.565 2.568 1.00 0.00 H +ATOM 2197 HE2 LYS H 109 25.810 6.596 0.590 1.00 0.00 H +ATOM 2198 HE3 LYS H 109 26.350 5.319 1.305 1.00 0.00 H +ATOM 2199 HZ1 LYS H 109 25.098 4.250 -0.065 1.00 0.00 H +ATOM 2200 HZ2 LYS H 109 23.953 4.668 0.726 1.00 0.00 H +ATOM 2201 HZ3 LYS H 109 24.340 5.428 -0.450 1.00 0.00 H +ATOM 2202 N LYS H 110 21.425 10.224 4.404 1.00 0.00 N +ATOM 2203 CA LYS H 110 20.815 11.588 4.271 1.00 0.00 C +ATOM 2204 C LYS H 110 19.698 11.733 5.317 1.00 0.00 C +ATOM 2205 O LYS H 110 18.951 10.775 5.590 1.00 0.00 O +ATOM 2206 H LYS H 110 20.851 9.611 4.588 1.00 0.00 H +ATOM 2207 N PRO H 111 19.601 12.921 5.902 1.00 0.00 N +ATOM 2208 CA PRO H 111 18.584 13.223 6.916 1.00 0.00 C +ATOM 2209 C PRO H 111 17.207 12.959 6.315 1.00 0.00 C +ATOM 2210 O PRO H 111 17.021 13.120 5.085 1.00 0.00 O +ATOM 2211 CB PRO H 111 18.754 14.668 7.273 1.00 0.00 C +ATOM 2212 CG PRO H 111 19.905 15.193 6.484 1.00 0.00 C +ATOM 2213 CD PRO H 111 20.454 14.084 5.599 1.00 0.00 C +ATOM 2214 HA PRO H 111 18.674 12.674 7.710 1.00 0.00 H +ATOM 2215 HB2 PRO H 111 17.947 15.166 7.071 1.00 0.00 H +ATOM 2216 HB3 PRO H 111 18.919 14.767 8.224 1.00 0.00 H +ATOM 2217 HG2 PRO H 111 19.622 15.945 5.940 1.00 0.00 H +ATOM 2218 HG3 PRO H 111 20.598 15.519 7.080 1.00 0.00 H +ATOM 2219 HD2 PRO H 111 20.406 14.324 4.660 1.00 0.00 H +ATOM 2220 HD3 PRO H 111 21.386 13.901 5.798 1.00 0.00 H +ATOM 2221 N VAL H 112 16.303 12.491 7.143 1.00 0.00 N +ATOM 2222 CA VAL H 112 14.931 12.155 6.724 1.00 0.00 C +ATOM 2223 C VAL H 112 14.043 13.352 7.081 1.00 0.00 C +ATOM 2224 O VAL H 112 14.402 14.207 7.954 1.00 0.00 O +ATOM 2225 CB VAL H 112 14.453 10.841 7.350 1.00 0.00 C +ATOM 2226 CG1 VAL H 112 14.522 10.838 8.892 1.00 0.00 C +ATOM 2227 CG2 VAL H 112 13.023 10.502 6.955 1.00 0.00 C +ATOM 2228 H VAL H 112 16.455 12.352 7.978 1.00 0.00 H +ATOM 2229 HA VAL H 112 14.890 11.999 5.768 1.00 0.00 H +ATOM 2230 HB VAL H 112 15.066 10.175 7.002 1.00 0.00 H +ATOM 2231 HG11 VAL H 112 14.208 9.984 9.228 1.00 0.00 H +ATOM 2232 HG12 VAL H 112 15.439 10.980 9.175 1.00 0.00 H +ATOM 2233 HG13 VAL H 112 13.962 11.549 9.243 1.00 0.00 H +ATOM 2234 HG21 VAL H 112 12.762 9.666 7.372 1.00 0.00 H +ATOM 2235 HG22 VAL H 112 12.429 11.210 7.251 1.00 0.00 H +ATOM 2236 HG23 VAL H 112 12.966 10.414 5.991 1.00 0.00 H +ATOM 2237 N ALA H 113 12.948 13.463 6.331 1.00 0.00 N +ATOM 2238 CA ALA H 113 12.021 14.589 6.574 1.00 0.00 C +ATOM 2239 C ALA H 113 10.840 14.055 7.368 1.00 0.00 C +ATOM 2240 O ALA H 113 10.281 13.016 6.963 1.00 0.00 O +ATOM 2241 CB ALA H 113 11.535 15.144 5.230 1.00 0.00 C +ATOM 2242 H ALA H 113 12.722 12.925 5.699 1.00 0.00 H +ATOM 2243 HA ALA H 113 12.463 15.299 7.065 1.00 0.00 H +ATOM 2244 HB1 ALA H 113 10.926 15.883 5.386 1.00 0.00 H +ATOM 2245 HB2 ALA H 113 12.295 15.455 4.714 1.00 0.00 H +ATOM 2246 HB3 ALA H 113 11.075 14.445 4.738 1.00 0.00 H +ATOM 2247 N PHE H 114 10.499 14.818 8.345 1.00 0.00 N +ATOM 2248 CA PHE H 114 9.392 14.564 9.293 1.00 0.00 C +ATOM 2249 C PHE H 114 8.098 14.748 8.531 1.00 0.00 C +ATOM 2250 O PHE H 114 8.170 15.348 7.410 1.00 0.00 O +ATOM 2251 CB PHE H 114 9.544 15.317 10.592 1.00 0.00 C +ATOM 2252 CG PHE H 114 10.860 15.054 11.264 1.00 0.00 C +ATOM 2253 CD1 PHE H 114 11.567 13.878 10.925 1.00 0.00 C +ATOM 2254 CD2 PHE H 114 11.390 15.929 12.189 1.00 0.00 C +ATOM 2255 CE1 PHE H 114 12.825 13.673 11.480 1.00 0.00 C +ATOM 2256 CE2 PHE H 114 12.608 15.692 12.827 1.00 0.00 C +ATOM 2257 CZ PHE H 114 13.322 14.540 12.446 1.00 0.00 C +ATOM 2258 H PHE H 114 10.913 15.553 8.512 1.00 0.00 H +ATOM 2259 HA PHE H 114 9.399 13.651 9.620 1.00 0.00 H +ATOM 2260 HB2 PHE H 114 9.456 16.268 10.422 1.00 0.00 H +ATOM 2261 HB3 PHE H 114 8.823 15.068 11.192 1.00 0.00 H +ATOM 2262 HD1 PHE H 114 11.198 13.254 10.342 1.00 0.00 H +ATOM 2263 HD2 PHE H 114 10.919 16.704 12.395 1.00 0.00 H +ATOM 2264 HE1 PHE H 114 13.339 12.949 11.202 1.00 0.00 H +ATOM 2265 HE2 PHE H 114 12.935 16.271 13.477 1.00 0.00 H +ATOM 2266 HZ PHE H 114 14.140 14.356 12.848 1.00 0.00 H +ATOM 2267 N SER H 115 7.054 14.141 9.067 1.00 0.00 N +ATOM 2268 CA SER H 115 5.721 14.137 8.390 1.00 0.00 C +ATOM 2269 C SER H 115 4.749 13.718 9.460 1.00 0.00 C +ATOM 2270 O SER H 115 5.189 13.571 10.637 1.00 0.00 O +ATOM 2271 CB SER H 115 5.727 13.168 7.235 1.00 0.00 C +ATOM 2272 OG SER H 115 5.289 11.862 7.659 1.00 0.00 O +ATOM 2273 H SER H 115 7.074 13.722 9.818 1.00 0.00 H +ATOM 2274 HA SER H 115 5.486 15.001 8.016 1.00 0.00 H +ATOM 2275 HB2 SER H 115 5.147 13.495 6.530 1.00 0.00 H +ATOM 2276 HB3 SER H 115 6.620 13.109 6.862 1.00 0.00 H +ATOM 2277 HG SER H 115 4.606 11.640 7.224 1.00 0.00 H +ATOM 2278 N ASP H 116 3.508 13.540 9.132 1.00 0.00 N +ATOM 2279 CA ASP H 116 2.521 13.079 10.120 1.00 0.00 C +ATOM 2280 C ASP H 116 2.875 11.663 10.651 1.00 0.00 C +ATOM 2281 O ASP H 116 2.343 11.332 11.763 1.00 0.00 O +ATOM 2282 CB ASP H 116 1.140 13.082 9.524 1.00 0.00 C +ATOM 2283 CG ASP H 116 0.381 14.394 9.383 1.00 0.00 C +ATOM 2284 OD1 ASP H 116 0.589 15.404 10.085 1.00 0.00 O +ATOM 2285 OD2 ASP H 116 -0.651 14.333 8.629 1.00 0.00 O +ATOM 2286 H ASP H 116 3.191 13.675 8.344 1.00 0.00 H +ATOM 2287 HA ASP H 116 2.541 13.694 10.870 1.00 0.00 H +ATOM 2288 HB2 ASP H 116 1.205 12.689 8.640 1.00 0.00 H +ATOM 2289 HB3 ASP H 116 0.592 12.487 10.059 1.00 0.00 H +ATOM 2290 N TYR H 117 3.517 10.870 9.814 1.00 0.00 N +ATOM 2291 CA TYR H 117 3.810 9.472 10.175 1.00 0.00 C +ATOM 2292 C TYR H 117 5.226 9.155 10.666 1.00 0.00 C +ATOM 2293 O TYR H 117 5.505 7.927 10.910 1.00 0.00 O +ATOM 2294 CB TYR H 117 3.569 8.592 8.883 1.00 0.00 C +ATOM 2295 CG TYR H 117 2.269 9.040 8.217 1.00 0.00 C +ATOM 2296 CD1 TYR H 117 1.071 8.627 8.746 1.00 0.00 C +ATOM 2297 CD2 TYR H 117 2.304 9.837 7.042 1.00 0.00 C +ATOM 2298 CE1 TYR H 117 -0.137 9.004 8.132 1.00 0.00 C +ATOM 2299 CE2 TYR H 117 1.092 10.224 6.421 1.00 0.00 C +ATOM 2300 CZ TYR H 117 -0.102 9.764 6.967 1.00 0.00 C +ATOM 2301 OH TYR H 117 -1.313 10.065 6.468 1.00 0.00 O +ATOM 2302 H TYR H 117 3.795 11.108 9.036 1.00 0.00 H +ATOM 2303 HA TYR H 117 3.228 9.284 10.928 1.00 0.00 H +ATOM 2304 HB2 TYR H 117 4.312 8.689 8.267 1.00 0.00 H +ATOM 2305 HB3 TYR H 117 3.518 7.653 9.121 1.00 0.00 H +ATOM 2306 HD1 TYR H 117 1.058 8.098 9.511 1.00 0.00 H +ATOM 2307 HD2 TYR H 117 3.119 10.103 6.682 1.00 0.00 H +ATOM 2308 HE1 TYR H 117 -0.951 8.748 8.501 1.00 0.00 H +ATOM 2309 HE2 TYR H 117 1.094 10.771 5.669 1.00 0.00 H +ATOM 2310 HH TYR H 117 -1.909 9.792 6.994 1.00 0.00 H +ATOM 2311 N ILE H 118 6.090 10.130 10.540 1.00 0.00 N +ATOM 2312 CA ILE H 118 7.513 10.107 10.816 1.00 0.00 C +ATOM 2313 C ILE H 118 7.945 11.229 11.773 1.00 0.00 C +ATOM 2314 O ILE H 118 7.897 12.375 11.296 1.00 0.00 O +ATOM 2315 CB ILE H 118 8.333 10.247 9.472 1.00 0.00 C +ATOM 2316 CG1 ILE H 118 7.885 9.190 8.452 1.00 0.00 C +ATOM 2317 CG2 ILE H 118 9.848 10.329 9.822 1.00 0.00 C +ATOM 2318 CD1 ILE H 118 8.478 9.193 7.025 1.00 0.00 C +ATOM 2319 H ILE H 118 5.838 10.904 10.263 1.00 0.00 H +ATOM 2320 HA ILE H 118 7.698 9.256 11.242 1.00 0.00 H +ATOM 2321 HB ILE H 118 8.147 11.075 9.002 1.00 0.00 H +ATOM 2322 HG12 ILE H 118 8.069 8.320 8.839 1.00 0.00 H +ATOM 2323 HG13 ILE H 118 6.922 9.264 8.364 1.00 0.00 H +ATOM 2324 HG21 ILE H 118 10.365 10.415 9.006 1.00 0.00 H +ATOM 2325 HG22 ILE H 118 10.008 11.100 10.389 1.00 0.00 H +ATOM 2326 HG23 ILE H 118 10.116 9.523 10.290 1.00 0.00 H +ATOM 2327 HD11 ILE H 118 8.092 8.466 6.512 1.00 0.00 H +ATOM 2328 HD12 ILE H 118 8.275 10.037 6.592 1.00 0.00 H +ATOM 2329 HD13 ILE H 118 9.440 9.078 7.074 1.00 0.00 H +ATOM 2330 N HIS H 119 8.413 10.910 12.964 1.00 0.00 N +ATOM 2331 CA HIS H 119 8.794 11.892 13.982 1.00 0.00 C +ATOM 2332 C HIS H 119 9.650 11.183 15.052 1.00 0.00 C +ATOM 2333 O HIS H 119 9.213 10.080 15.504 1.00 0.00 O +ATOM 2334 CB HIS H 119 7.443 12.387 14.611 1.00 0.00 C +ATOM 2335 CG HIS H 119 7.580 13.675 15.397 1.00 0.00 C +ATOM 2336 ND1 HIS H 119 7.575 14.946 14.847 1.00 0.00 N +ATOM 2337 CD2 HIS H 119 7.704 13.804 16.769 1.00 0.00 C +ATOM 2338 CE1 HIS H 119 7.783 15.797 15.862 1.00 0.00 C +ATOM 2339 NE2 HIS H 119 7.957 15.118 17.011 1.00 0.00 N +ATOM 2340 H HIS H 119 8.524 10.096 13.218 1.00 0.00 H +ATOM 2341 HA HIS H 119 9.307 12.631 13.620 1.00 0.00 H +ATOM 2342 HB2 HIS H 119 6.793 12.516 13.903 1.00 0.00 H +ATOM 2343 HB3 HIS H 119 7.094 11.696 15.195 1.00 0.00 H +ATOM 2344 HD1 HIS H 119 7.461 15.149 14.019 1.00 0.00 H +ATOM 2345 HD2 HIS H 119 7.629 13.126 17.401 1.00 0.00 H +ATOM 2346 HE1 HIS H 119 7.804 16.723 15.783 1.00 0.00 H +ATOM 2347 HE2 HIS H 119 8.188 15.456 17.767 1.00 0.00 H +ATOM 2348 N PRO H 120 10.669 11.819 15.625 1.00 0.00 N +ATOM 2349 CA PRO H 120 11.550 11.194 16.590 1.00 0.00 C +ATOM 2350 C PRO H 120 10.952 11.078 18.000 1.00 0.00 C +ATOM 2351 O PRO H 120 10.020 11.825 18.360 1.00 0.00 O +ATOM 2352 CB PRO H 120 12.778 12.125 16.723 1.00 0.00 C +ATOM 2353 CG PRO H 120 12.419 13.390 16.035 1.00 0.00 C +ATOM 2354 CD PRO H 120 11.173 13.130 15.202 1.00 0.00 C +ATOM 2355 HA PRO H 120 11.741 10.297 16.274 1.00 0.00 H +ATOM 2356 HB2 PRO H 120 12.990 12.287 17.656 1.00 0.00 H +ATOM 2357 HB3 PRO H 120 13.563 11.722 16.319 1.00 0.00 H +ATOM 2358 HG2 PRO H 120 12.254 14.094 16.682 1.00 0.00 H +ATOM 2359 HG3 PRO H 120 13.149 13.689 15.470 1.00 0.00 H +ATOM 2360 HD2 PRO H 120 10.508 13.821 15.347 1.00 0.00 H +ATOM 2361 HD3 PRO H 120 11.382 13.132 14.255 1.00 0.00 H +ATOM 2362 N VAL H 121 11.542 10.140 18.751 1.00 0.00 N +ATOM 2363 CA VAL H 121 11.161 9.946 20.168 1.00 0.00 C +ATOM 2364 C VAL H 121 12.179 10.696 21.016 1.00 0.00 C +ATOM 2365 O VAL H 121 13.309 10.839 20.543 1.00 0.00 O +ATOM 2366 CB VAL H 121 11.120 8.383 20.476 1.00 0.00 C +ATOM 2367 CG1 VAL H 121 12.481 7.716 20.457 1.00 0.00 C +ATOM 2368 CG2 VAL H 121 10.320 8.083 21.740 1.00 0.00 C +ATOM 2369 H VAL H 121 12.157 9.610 18.468 1.00 0.00 H +ATOM 2370 HA VAL H 121 10.279 10.296 20.371 1.00 0.00 H +ATOM 2371 HB VAL H 121 10.645 7.974 19.736 1.00 0.00 H +ATOM 2372 HG11 VAL H 121 12.381 6.771 20.651 1.00 0.00 H +ATOM 2373 HG12 VAL H 121 12.883 7.825 19.581 1.00 0.00 H +ATOM 2374 HG13 VAL H 121 13.051 8.125 21.127 1.00 0.00 H +ATOM 2375 HG21 VAL H 121 10.314 7.126 21.900 1.00 0.00 H +ATOM 2376 HG22 VAL H 121 10.728 8.534 22.496 1.00 0.00 H +ATOM 2377 HG23 VAL H 121 9.409 8.398 21.629 1.00 0.00 H +ATOM 2378 N CYS H 122 11.870 11.059 22.253 1.00 0.00 N +ATOM 2379 CA CYS H 122 12.919 11.676 23.096 1.00 0.00 C +ATOM 2380 C CYS H 122 13.761 10.628 23.838 1.00 0.00 C +ATOM 2381 O CYS H 122 13.243 9.527 24.223 1.00 0.00 O +ATOM 2382 CB CYS H 122 12.206 12.524 24.177 1.00 0.00 C +ATOM 2383 SG CYS H 122 11.126 13.865 23.624 1.00 0.00 S +ATOM 2384 H CYS H 122 11.098 10.968 22.622 1.00 0.00 H +ATOM 2385 HA CYS H 122 13.503 12.194 22.520 1.00 0.00 H +ATOM 2386 HB2 CYS H 122 11.678 11.923 24.726 1.00 0.00 H +ATOM 2387 HB3 CYS H 122 12.887 12.908 24.751 1.00 0.00 H +ATOM 2388 N LEU H 123 14.935 11.022 24.292 1.00 0.00 N +ATOM 2389 CA LEU H 123 15.851 10.125 25.089 1.00 0.00 C +ATOM 2390 C LEU H 123 15.772 10.688 26.499 1.00 0.00 C +ATOM 2391 O LEU H 123 15.720 11.923 26.590 1.00 0.00 O +ATOM 2392 CB LEU H 123 17.217 10.029 24.520 1.00 0.00 C +ATOM 2393 CG LEU H 123 17.607 9.542 23.158 1.00 0.00 C +ATOM 2394 CD1 LEU H 123 19.119 9.650 22.943 1.00 0.00 C +ATOM 2395 CD2 LEU H 123 17.165 8.080 22.950 1.00 0.00 C +ATOM 2396 H LEU H 123 15.250 11.812 24.162 1.00 0.00 H +ATOM 2397 HA LEU H 123 15.579 9.194 25.073 1.00 0.00 H +ATOM 2398 HB2 LEU H 123 17.584 10.925 24.585 1.00 0.00 H +ATOM 2399 HB3 LEU H 123 17.713 9.473 25.141 1.00 0.00 H +ATOM 2400 HG LEU H 123 17.157 10.107 22.510 1.00 0.00 H +ATOM 2401 HD11 LEU H 123 19.344 9.329 22.056 1.00 0.00 H +ATOM 2402 HD12 LEU H 123 19.393 10.576 23.030 1.00 0.00 H +ATOM 2403 HD13 LEU H 123 19.580 9.113 23.607 1.00 0.00 H +ATOM 2404 HD21 LEU H 123 17.427 7.786 22.064 1.00 0.00 H +ATOM 2405 HD22 LEU H 123 17.588 7.516 23.616 1.00 0.00 H +ATOM 2406 HD23 LEU H 123 16.201 8.017 23.039 1.00 0.00 H +ATOM 2407 N PRO H 124 15.725 9.827 27.502 1.00 0.00 N +ATOM 2408 CA PRO H 124 15.561 10.238 28.873 1.00 0.00 C +ATOM 2409 C PRO H 124 16.772 11.008 29.400 1.00 0.00 C +ATOM 2410 O PRO H 124 17.930 10.772 28.992 1.00 0.00 O +ATOM 2411 CB PRO H 124 15.435 8.904 29.658 1.00 0.00 C +ATOM 2412 CG PRO H 124 15.765 7.825 28.753 1.00 0.00 C +ATOM 2413 CD PRO H 124 15.930 8.371 27.363 1.00 0.00 C +ATOM 2414 HA PRO H 124 14.799 10.830 28.967 1.00 0.00 H +ATOM 2415 HB2 PRO H 124 16.033 8.902 30.422 1.00 0.00 H +ATOM 2416 HB3 PRO H 124 14.534 8.796 30.002 1.00 0.00 H +ATOM 2417 HG2 PRO H 124 16.583 7.389 29.039 1.00 0.00 H +ATOM 2418 HG3 PRO H 124 15.065 7.153 28.766 1.00 0.00 H +ATOM 2419 HD2 PRO H 124 16.811 8.172 27.009 1.00 0.00 H +ATOM 2420 HD3 PRO H 124 15.284 7.981 26.753 1.00 0.00 H +ATOM 2421 N ASP H 125 16.498 11.857 30.368 1.00 0.00 N +ATOM 2422 CA ASP H 125 17.454 12.622 31.174 1.00 0.00 C +ATOM 2423 C ASP H 125 17.427 11.857 32.526 1.00 0.00 C +ATOM 2424 O ASP H 125 16.457 11.113 32.769 1.00 0.00 O +ATOM 2425 CB ASP H 125 16.984 14.070 31.383 1.00 0.00 C +ATOM 2426 CG ASP H 125 15.559 14.178 31.829 1.00 0.00 C +ATOM 2427 OD1 ASP H 125 14.597 13.716 31.165 1.00 0.00 O +ATOM 2428 OD2 ASP H 125 15.261 14.684 32.942 1.00 0.00 O +ATOM 2429 H ASP H 125 15.685 12.021 30.597 1.00 0.00 H +ATOM 2430 HA ASP H 125 18.331 12.687 30.764 1.00 0.00 H +ATOM 2431 HB2 ASP H 125 17.555 14.496 32.042 1.00 0.00 H +ATOM 2432 HB3 ASP H 125 17.094 14.561 30.554 1.00 0.00 H +ATOM 2433 N ARG H 126 18.438 12.118 33.343 1.00 0.00 N +ATOM 2434 CA ARG H 126 18.564 11.482 34.662 1.00 0.00 C +ATOM 2435 C ARG H 126 17.317 11.562 35.524 1.00 0.00 C +ATOM 2436 O ARG H 126 17.110 10.618 36.313 1.00 0.00 O +ATOM 2437 CB ARG H 126 19.728 12.040 35.528 1.00 0.00 C +ATOM 2438 CG ARG H 126 19.976 11.259 36.809 1.00 0.00 C +ATOM 2439 CD ARG H 126 21.221 11.712 37.550 1.00 0.00 C +ATOM 2440 NE ARG H 126 20.956 11.677 39.005 1.00 0.00 N +ATOM 2441 CZ ARG H 126 21.750 11.871 40.061 1.00 0.00 C +ATOM 2442 NH1 ARG H 126 23.054 12.207 39.984 1.00 0.00 N +ATOM 2443 NH2 ARG H 126 21.327 11.612 41.332 1.00 0.00 N +ATOM 2444 H ARG H 126 19.073 12.667 33.155 1.00 0.00 H +ATOM 2445 HA ARG H 126 18.737 10.560 34.414 1.00 0.00 H +ATOM 2446 HB2 ARG H 126 20.541 12.041 34.999 1.00 0.00 H +ATOM 2447 HB3 ARG H 126 19.536 12.963 35.755 1.00 0.00 H +ATOM 2448 HG2 ARG H 126 19.207 11.352 37.393 1.00 0.00 H +ATOM 2449 HG3 ARG H 126 20.058 10.316 36.596 1.00 0.00 H +ATOM 2450 HD2 ARG H 126 21.969 11.135 37.332 1.00 0.00 H +ATOM 2451 HD3 ARG H 126 21.466 12.610 37.276 1.00 0.00 H +ATOM 2452 HE ARG H 126 20.140 11.499 39.208 1.00 0.00 H +ATOM 2453 HH11 ARG H 126 23.427 12.310 39.216 1.00 0.00 H +ATOM 2454 HH12 ARG H 126 23.513 12.318 40.703 1.00 0.00 H +ATOM 2455 HH21 ARG H 126 20.531 11.316 41.468 1.00 0.00 H +ATOM 2456 HH22 ARG H 126 21.856 11.745 41.997 1.00 0.00 H +ATOM 2457 N GLU H 127 16.538 12.614 35.436 1.00 0.00 N +ATOM 2458 CA GLU H 127 15.401 12.766 36.370 1.00 0.00 C +ATOM 2459 C GLU H 127 14.127 12.179 35.831 1.00 0.00 C +ATOM 2460 O GLU H 127 13.220 11.678 36.562 1.00 0.00 O +ATOM 2461 CB GLU H 127 15.290 14.218 36.763 1.00 0.00 C +ATOM 2462 CG GLU H 127 16.201 15.281 36.110 1.00 0.00 C +ATOM 2463 CD GLU H 127 17.691 15.135 36.141 1.00 0.00 C +ATOM 2464 OE1 GLU H 127 18.393 14.744 37.094 1.00 0.00 O +ATOM 2465 OE2 GLU H 127 18.246 15.475 35.055 1.00 0.00 O +ATOM 2466 H GLU H 127 16.631 13.249 34.863 1.00 0.00 H +ATOM 2467 HA GLU H 127 15.569 12.249 37.173 1.00 0.00 H +ATOM 2468 HB2 GLU H 127 14.373 14.489 36.601 1.00 0.00 H +ATOM 2469 HB3 GLU H 127 15.435 14.267 37.721 1.00 0.00 H +ATOM 2470 HG2 GLU H 127 15.940 15.347 35.178 1.00 0.00 H +ATOM 2471 HG3 GLU H 127 15.989 16.132 36.525 1.00 0.00 H +ATOM 2472 N THR H 128 14.054 12.149 34.502 1.00 0.00 N +ATOM 2473 CA THR H 128 12.867 11.521 33.838 1.00 0.00 C +ATOM 2474 C THR H 128 12.985 9.982 34.119 1.00 0.00 C +ATOM 2475 O THR H 128 12.043 9.378 34.592 1.00 0.00 O +ATOM 2476 CB THR H 128 12.874 11.925 32.323 1.00 0.00 C +ATOM 2477 OG1 THR H 128 12.499 13.368 32.296 1.00 0.00 O +ATOM 2478 CG2 THR H 128 11.976 11.087 31.399 1.00 0.00 C +ATOM 2479 H THR H 128 14.648 12.469 33.968 1.00 0.00 H +ATOM 2480 HA THR H 128 12.009 11.820 34.176 1.00 0.00 H +ATOM 2481 HB THR H 128 13.756 11.752 31.959 1.00 0.00 H +ATOM 2482 HG1 THR H 128 13.150 13.822 32.019 1.00 0.00 H +ATOM 2483 HG21 THR H 128 12.051 11.415 30.489 1.00 0.00 H +ATOM 2484 HG22 THR H 128 12.255 10.159 31.431 1.00 0.00 H +ATOM 2485 HG23 THR H 128 11.054 11.158 31.692 1.00 0.00 H +ATOM 2486 N ALA H 129 14.216 9.487 33.998 1.00 0.00 N +ATOM 2487 CA ALA H 129 14.501 8.057 34.280 1.00 0.00 C +ATOM 2488 C ALA H 129 14.176 7.720 35.714 1.00 0.00 C +ATOM 2489 O ALA H 129 13.416 6.785 36.032 1.00 0.00 O +ATOM 2490 CB ALA H 129 15.960 7.720 33.922 1.00 0.00 C +ATOM 2491 H ALA H 129 14.901 9.948 33.757 1.00 0.00 H +ATOM 2492 HA ALA H 129 13.930 7.507 33.722 1.00 0.00 H +ATOM 2493 HB1 ALA H 129 16.132 6.784 34.111 1.00 0.00 H +ATOM 2494 HB2 ALA H 129 16.110 7.892 32.979 1.00 0.00 H +ATOM 2495 HB3 ALA H 129 16.559 8.271 34.450 1.00 0.00 H +ATOM 2496 N ALA H 129A 14.660 8.587 36.636 1.00 0.00 N +ATOM 2497 CA ALA H 129A 14.375 8.376 38.062 1.00 0.00 C +ATOM 2498 C ALA H 129A 12.914 8.372 38.340 1.00 0.00 C +ATOM 2499 O ALA H 129A 12.540 7.432 39.111 1.00 0.00 O +ATOM 2500 CB ALA H 129A 15.144 9.344 38.943 1.00 0.00 C +ATOM 2501 H ALA H 129A 15.139 9.278 36.456 1.00 0.00 H +ATOM 2502 HA ALA H 129A 14.696 7.490 38.293 1.00 0.00 H +ATOM 2503 HB1 ALA H 129A 14.930 9.174 39.874 1.00 0.00 H +ATOM 2504 HB2 ALA H 129A 16.096 9.223 38.803 1.00 0.00 H +ATOM 2505 HB3 ALA H 129A 14.897 10.254 38.716 1.00 0.00 H +ATOM 2506 N SER H 129B 12.056 9.222 37.800 1.00 0.00 N +ATOM 2507 CA SER H 129B 10.635 9.109 38.196 1.00 0.00 C +ATOM 2508 C SER H 129B 9.862 8.017 37.494 1.00 0.00 C +ATOM 2509 O SER H 129B 8.835 7.650 38.102 1.00 0.00 O +ATOM 2510 CB SER H 129B 9.885 10.422 37.919 1.00 0.00 C +ATOM 2511 OG SER H 129B 10.923 11.369 37.596 1.00 0.00 O +ATOM 2512 H SER H 129B 12.246 9.841 37.234 1.00 0.00 H +ATOM 2513 HA SER H 129B 10.675 8.894 39.141 1.00 0.00 H +ATOM 2514 HB2 SER H 129B 9.257 10.322 37.186 1.00 0.00 H +ATOM 2515 HB3 SER H 129B 9.375 10.707 38.693 1.00 0.00 H +ATOM 2516 HG SER H 129B 10.578 12.117 37.430 1.00 0.00 H +ATOM 2517 N LEU H 129C 10.240 7.604 36.302 1.00 0.00 N +ATOM 2518 CA LEU H 129C 9.403 6.661 35.568 1.00 0.00 C +ATOM 2519 C LEU H 129C 9.788 5.213 35.689 1.00 0.00 C +ATOM 2520 O LEU H 129C 8.848 4.363 35.558 1.00 0.00 O +ATOM 2521 CB LEU H 129C 9.406 7.143 34.093 1.00 0.00 C +ATOM 2522 CG LEU H 129C 8.642 8.471 33.882 1.00 0.00 C +ATOM 2523 CD1 LEU H 129C 8.528 8.762 32.376 1.00 0.00 C +ATOM 2524 CD2 LEU H 129C 7.266 8.338 34.501 1.00 0.00 C +ATOM 2525 H LEU H 129C 10.961 7.847 35.901 1.00 0.00 H +ATOM 2526 HA LEU H 129C 8.516 6.668 35.960 1.00 0.00 H +ATOM 2527 HB2 LEU H 129C 10.323 7.254 33.798 1.00 0.00 H +ATOM 2528 HB3 LEU H 129C 9.009 6.457 33.534 1.00 0.00 H +ATOM 2529 HG LEU H 129C 9.116 9.205 34.303 1.00 0.00 H +ATOM 2530 HD11 LEU H 129C 8.049 9.595 32.242 1.00 0.00 H +ATOM 2531 HD12 LEU H 129C 9.416 8.835 31.992 1.00 0.00 H +ATOM 2532 HD13 LEU H 129C 8.047 8.040 31.942 1.00 0.00 H +ATOM 2533 HD21 LEU H 129C 6.774 9.165 34.377 1.00 0.00 H +ATOM 2534 HD22 LEU H 129C 6.788 7.610 34.074 1.00 0.00 H +ATOM 2535 HD23 LEU H 129C 7.354 8.154 35.449 1.00 0.00 H +ATOM 2536 N LEU H 130 11.078 4.955 35.707 1.00 0.00 N +ATOM 2537 CA LEU H 130 11.551 3.544 35.771 1.00 0.00 C +ATOM 2538 C LEU H 130 11.293 2.973 37.167 1.00 0.00 C +ATOM 2539 O LEU H 130 12.291 2.836 37.896 1.00 0.00 O +ATOM 2540 CB LEU H 130 13.011 3.560 35.348 1.00 0.00 C +ATOM 2541 CG LEU H 130 13.455 3.008 34.013 1.00 0.00 C +ATOM 2542 CD1 LEU H 130 14.323 1.758 34.091 1.00 0.00 C +ATOM 2543 CD2 LEU H 130 12.203 2.578 33.230 1.00 0.00 C +ATOM 2544 H LEU H 130 11.699 5.550 35.684 1.00 0.00 H +ATOM 2545 HA LEU H 130 11.070 2.952 35.172 1.00 0.00 H +ATOM 2546 HB2 LEU H 130 13.304 4.484 35.382 1.00 0.00 H +ATOM 2547 HB3 LEU H 130 13.507 3.080 36.030 1.00 0.00 H +ATOM 2548 HG LEU H 130 13.974 3.717 33.602 1.00 0.00 H +ATOM 2549 HD11 LEU H 130 14.561 1.473 33.195 1.00 0.00 H +ATOM 2550 HD12 LEU H 130 15.130 1.955 34.593 1.00 0.00 H +ATOM 2551 HD13 LEU H 130 13.831 1.050 34.535 1.00 0.00 H +ATOM 2552 HD21 LEU H 130 12.467 2.220 32.368 1.00 0.00 H +ATOM 2553 HD22 LEU H 130 11.726 1.897 33.730 1.00 0.00 H +ATOM 2554 HD23 LEU H 130 11.625 3.345 33.097 1.00 0.00 H +ATOM 2555 N GLN H 131 10.047 2.668 37.513 1.00 0.00 N +ATOM 2556 CA GLN H 131 9.579 2.097 38.747 1.00 0.00 C +ATOM 2557 C GLN H 131 8.656 0.874 38.606 1.00 0.00 C +ATOM 2558 O GLN H 131 7.620 0.827 37.877 1.00 0.00 O +ATOM 2559 CB GLN H 131 8.822 3.171 39.580 1.00 0.00 C +ATOM 2560 CG GLN H 131 9.774 4.187 40.171 1.00 0.00 C +ATOM 2561 CD GLN H 131 9.031 5.173 41.036 1.00 0.00 C +ATOM 2562 OE1 GLN H 131 8.121 4.812 41.823 1.00 0.00 O +ATOM 2563 NE2 GLN H 131 9.335 6.461 40.870 1.00 0.00 N +ATOM 2564 H GLN H 131 9.396 2.808 36.969 1.00 0.00 H +ATOM 2565 HA GLN H 131 10.386 1.787 39.186 1.00 0.00 H +ATOM 2566 HB2 GLN H 131 8.175 3.622 39.016 1.00 0.00 H +ATOM 2567 HB3 GLN H 131 8.325 2.739 40.292 1.00 0.00 H +ATOM 2568 HG2 GLN H 131 10.452 3.734 40.697 1.00 0.00 H +ATOM 2569 HG3 GLN H 131 10.235 4.657 39.459 1.00 0.00 H +ATOM 2570 HE21 GLN H 131 9.961 6.688 40.326 1.00 0.00 H +ATOM 2571 HE22 GLN H 131 8.905 7.064 41.307 1.00 0.00 H +ATOM 2572 N ALA H 132 8.898 -0.127 39.477 1.00 0.00 N +ATOM 2573 CA ALA H 132 8.123 -1.390 39.434 1.00 0.00 C +ATOM 2574 C ALA H 132 6.649 -1.054 39.483 1.00 0.00 C +ATOM 2575 O ALA H 132 6.272 -0.307 40.427 1.00 0.00 O +ATOM 2576 CB ALA H 132 8.487 -2.289 40.609 1.00 0.00 C +ATOM 2577 H ALA H 132 9.498 -0.096 40.092 1.00 0.00 H +ATOM 2578 HA ALA H 132 8.332 -1.866 38.615 1.00 0.00 H +ATOM 2579 HB1 ALA H 132 7.970 -3.108 40.562 1.00 0.00 H +ATOM 2580 HB2 ALA H 132 9.433 -2.502 40.573 1.00 0.00 H +ATOM 2581 HB3 ALA H 132 8.290 -1.830 41.441 1.00 0.00 H +ATOM 2582 N GLY H 133 5.806 -1.662 38.651 1.00 0.00 N +ATOM 2583 CA GLY H 133 4.408 -1.313 38.633 1.00 0.00 C +ATOM 2584 C GLY H 133 4.018 -0.306 37.533 1.00 0.00 C +ATOM 2585 O GLY H 133 2.872 -0.318 37.055 1.00 0.00 O +ATOM 2586 H GLY H 133 6.032 -2.277 38.094 1.00 0.00 H +ATOM 2587 HA2 GLY H 133 3.885 -2.122 38.516 1.00 0.00 H +ATOM 2588 HA3 GLY H 133 4.167 -0.942 39.496 1.00 0.00 H +ATOM 2589 N TYR H 134 4.900 0.584 37.122 1.00 0.00 N +ATOM 2590 CA TYR H 134 4.520 1.579 36.075 1.00 0.00 C +ATOM 2591 C TYR H 134 4.497 0.831 34.743 1.00 0.00 C +ATOM 2592 O TYR H 134 5.425 -0.010 34.512 1.00 0.00 O +ATOM 2593 CB TYR H 134 5.595 2.702 36.090 1.00 0.00 C +ATOM 2594 CG TYR H 134 5.494 3.647 37.273 1.00 0.00 C +ATOM 2595 CD1 TYR H 134 4.793 3.389 38.430 1.00 0.00 C +ATOM 2596 CD2 TYR H 134 6.199 4.839 37.214 1.00 0.00 C +ATOM 2597 CE1 TYR H 134 4.727 4.261 39.522 1.00 0.00 C +ATOM 2598 CE2 TYR H 134 6.150 5.775 38.229 1.00 0.00 C +ATOM 2599 CZ TYR H 134 5.398 5.478 39.374 1.00 0.00 C +ATOM 2600 OH TYR H 134 5.458 6.442 40.374 1.00 0.00 O +ATOM 2601 H TYR H 134 5.707 0.647 37.413 1.00 0.00 H +ATOM 2602 HA TYR H 134 3.651 1.984 36.225 1.00 0.00 H +ATOM 2603 HB2 TYR H 134 6.475 2.293 36.090 1.00 0.00 H +ATOM 2604 HB3 TYR H 134 5.521 3.217 35.271 1.00 0.00 H +ATOM 2605 HD1 TYR H 134 4.334 2.583 38.489 1.00 0.00 H +ATOM 2606 HD2 TYR H 134 6.723 5.015 36.466 1.00 0.00 H +ATOM 2607 HE1 TYR H 134 4.265 4.044 40.299 1.00 0.00 H +ATOM 2608 HE2 TYR H 134 6.605 6.583 38.154 1.00 0.00 H +ATOM 2609 HH TYR H 134 4.741 6.437 40.811 1.00 0.00 H +ATOM 2610 N LYS H 135 3.644 1.262 33.804 1.00 0.00 N +ATOM 2611 CA LYS H 135 3.584 0.585 32.503 1.00 0.00 C +ATOM 2612 C LYS H 135 4.285 1.339 31.404 1.00 0.00 C +ATOM 2613 O LYS H 135 4.203 2.566 31.434 1.00 0.00 O +ATOM 2614 CB LYS H 135 2.148 0.329 32.044 1.00 0.00 C +ATOM 2615 CG LYS H 135 1.395 -0.546 33.028 1.00 0.00 C +ATOM 2616 CD LYS H 135 0.006 -0.928 32.558 1.00 0.00 C +ATOM 2617 CE LYS H 135 -0.557 -1.751 33.731 1.00 0.00 C +ATOM 2618 NZ LYS H 135 -2.044 -1.637 33.682 1.00 0.00 N +ATOM 2619 H LYS H 135 3.106 1.926 33.897 1.00 0.00 H +ATOM 2620 HA LYS H 135 4.042 -0.256 32.655 1.00 0.00 H +ATOM 2621 HB2 LYS H 135 1.685 1.175 31.942 1.00 0.00 H +ATOM 2622 HB3 LYS H 135 2.157 -0.097 31.172 1.00 0.00 H +ATOM 2623 HG2 LYS H 135 1.907 -1.354 33.189 1.00 0.00 H +ATOM 2624 HG3 LYS H 135 1.325 -0.080 33.876 1.00 0.00 H +ATOM 2625 HD2 LYS H 135 -0.538 -0.145 32.377 1.00 0.00 H +ATOM 2626 HD3 LYS H 135 0.036 -1.447 31.739 1.00 0.00 H +ATOM 2627 HE2 LYS H 135 -0.283 -2.679 33.660 1.00 0.00 H +ATOM 2628 HE3 LYS H 135 -0.216 -1.418 34.576 1.00 0.00 H +ATOM 2629 HZ1 LYS H 135 -2.409 -2.323 34.117 1.00 0.00 H +ATOM 2630 HZ2 LYS H 135 -2.296 -0.875 34.066 1.00 0.00 H +ATOM 2631 HZ3 LYS H 135 -2.315 -1.646 32.834 1.00 0.00 H +ATOM 2632 N GLY H 136 4.892 0.648 30.459 1.00 0.00 N +ATOM 2633 CA GLY H 136 5.550 1.150 29.281 1.00 0.00 C +ATOM 2634 C GLY H 136 4.841 0.489 28.061 1.00 0.00 C +ATOM 2635 O GLY H 136 3.931 -0.338 28.313 1.00 0.00 O +ATOM 2636 H GLY H 136 4.931 -0.210 30.499 1.00 0.00 H +ATOM 2637 HA2 GLY H 136 5.486 2.117 29.235 1.00 0.00 H +ATOM 2638 HA3 GLY H 136 6.494 0.929 29.293 1.00 0.00 H +ATOM 2639 N ARG H 137 5.233 0.847 26.841 1.00 0.00 N +ATOM 2640 CA ARG H 137 4.519 0.322 25.684 1.00 0.00 C +ATOM 2641 C ARG H 137 5.578 -0.237 24.778 1.00 0.00 C +ATOM 2642 O ARG H 137 6.626 0.441 24.677 1.00 0.00 O +ATOM 2643 CB ARG H 137 3.732 1.423 24.932 1.00 0.00 C +ATOM 2644 CG ARG H 137 3.139 1.102 23.596 1.00 0.00 C +ATOM 2645 CD ARG H 137 2.340 2.203 22.973 1.00 0.00 C +ATOM 2646 NE ARG H 137 1.076 2.466 23.638 1.00 0.00 N +ATOM 2647 CZ ARG H 137 0.290 3.523 23.402 1.00 0.00 C +ATOM 2648 NH1 ARG H 137 0.687 4.457 22.503 1.00 0.00 N +ATOM 2649 NH2 ARG H 137 -0.835 3.682 24.129 1.00 0.00 N +ATOM 2650 H ARG H 137 5.888 1.375 26.665 1.00 0.00 H +ATOM 2651 HA ARG H 137 3.868 -0.341 25.964 1.00 0.00 H +ATOM 2652 HB2 ARG H 137 3.011 1.715 25.511 1.00 0.00 H +ATOM 2653 HB3 ARG H 137 4.326 2.181 24.815 1.00 0.00 H +ATOM 2654 HG2 ARG H 137 3.856 0.859 22.990 1.00 0.00 H +ATOM 2655 HG3 ARG H 137 2.570 0.322 23.690 1.00 0.00 H +ATOM 2656 HD2 ARG H 137 2.870 3.015 22.974 1.00 0.00 H +ATOM 2657 HD3 ARG H 137 2.166 1.979 22.045 1.00 0.00 H +ATOM 2658 HE ARG H 137 0.812 1.899 24.229 1.00 0.00 H +ATOM 2659 HH11 ARG H 137 1.437 4.366 22.092 1.00 0.00 H +ATOM 2660 HH12 ARG H 137 0.189 5.140 22.344 1.00 0.00 H +ATOM 2661 HH21 ARG H 137 -1.040 3.108 24.736 1.00 0.00 H +ATOM 2662 HH22 ARG H 137 -1.348 4.358 23.986 1.00 0.00 H +ATOM 2663 N VAL H 138 5.290 -1.447 24.232 1.00 0.00 N +ATOM 2664 CA VAL H 138 6.240 -2.040 23.250 1.00 0.00 C +ATOM 2665 C VAL H 138 5.528 -2.167 21.905 1.00 0.00 C +ATOM 2666 O VAL H 138 4.395 -2.657 21.870 1.00 0.00 O +ATOM 2667 CB VAL H 138 6.756 -3.432 23.754 1.00 0.00 C +ATOM 2668 CG1 VAL H 138 7.862 -3.966 22.888 1.00 0.00 C +ATOM 2669 CG2 VAL H 138 7.195 -3.360 25.220 1.00 0.00 C +ATOM 2670 H VAL H 138 4.591 -1.917 24.405 1.00 0.00 H +ATOM 2671 HA VAL H 138 7.016 -1.466 23.150 1.00 0.00 H +ATOM 2672 HB VAL H 138 6.013 -4.053 23.691 1.00 0.00 H +ATOM 2673 HG11 VAL H 138 8.155 -4.825 23.230 1.00 0.00 H +ATOM 2674 HG12 VAL H 138 7.539 -4.073 21.980 1.00 0.00 H +ATOM 2675 HG13 VAL H 138 8.607 -3.345 22.895 1.00 0.00 H +ATOM 2676 HG21 VAL H 138 7.509 -4.232 25.507 1.00 0.00 H +ATOM 2677 HG22 VAL H 138 7.911 -2.712 25.312 1.00 0.00 H +ATOM 2678 HG23 VAL H 138 6.443 -3.091 25.770 1.00 0.00 H +ATOM 2679 N THR H 139 6.245 -2.005 20.792 1.00 0.00 N +ATOM 2680 CA THR H 139 5.631 -2.213 19.477 1.00 0.00 C +ATOM 2681 C THR H 139 6.497 -3.011 18.527 1.00 0.00 C +ATOM 2682 O THR H 139 7.765 -2.925 18.540 1.00 0.00 O +ATOM 2683 CB THR H 139 5.222 -0.821 18.798 1.00 0.00 C +ATOM 2684 OG1 THR H 139 6.453 0.023 18.839 1.00 0.00 O +ATOM 2685 CG2 THR H 139 3.964 -0.226 19.366 1.00 0.00 C +ATOM 2686 H THR H 139 7.075 -1.779 20.774 1.00 0.00 H +ATOM 2687 HA THR H 139 4.833 -2.738 19.645 1.00 0.00 H +ATOM 2688 HB THR H 139 4.951 -0.924 17.872 1.00 0.00 H +ATOM 2689 HG1 THR H 139 7.022 -0.285 18.303 1.00 0.00 H +ATOM 2690 HG21 THR H 139 3.770 0.611 18.916 1.00 0.00 H +ATOM 2691 HG22 THR H 139 3.226 -0.842 19.234 1.00 0.00 H +ATOM 2692 HG23 THR H 139 4.083 -0.063 20.315 1.00 0.00 H +ATOM 2693 N GLY H 140 5.835 -3.633 17.521 1.00 0.00 N +ATOM 2694 CA GLY H 140 6.677 -4.355 16.537 1.00 0.00 C +ATOM 2695 C GLY H 140 5.804 -5.232 15.615 1.00 0.00 C +ATOM 2696 O GLY H 140 4.685 -5.528 15.907 1.00 0.00 O +ATOM 2697 H GLY H 140 4.984 -3.651 17.397 1.00 0.00 H +ATOM 2698 HA2 GLY H 140 7.180 -3.718 16.005 1.00 0.00 H +ATOM 2699 HA3 GLY H 140 7.323 -4.909 17.002 1.00 0.00 H +ATOM 2700 N TRP H 141 6.475 -5.692 14.553 1.00 0.00 N +ATOM 2701 CA TRP H 141 5.895 -6.581 13.561 1.00 0.00 C +ATOM 2702 C TRP H 141 6.246 -8.058 13.757 1.00 0.00 C +ATOM 2703 O TRP H 141 6.219 -8.841 12.777 1.00 0.00 O +ATOM 2704 CB TRP H 141 6.323 -6.122 12.162 1.00 0.00 C +ATOM 2705 CG TRP H 141 5.762 -4.811 11.684 1.00 0.00 C +ATOM 2706 CD1 TRP H 141 4.514 -4.523 11.252 1.00 0.00 C +ATOM 2707 CD2 TRP H 141 6.492 -3.566 11.663 1.00 0.00 C +ATOM 2708 NE1 TRP H 141 4.402 -3.199 10.919 1.00 0.00 N +ATOM 2709 CE2 TRP H 141 5.620 -2.606 11.107 1.00 0.00 C +ATOM 2710 CE3 TRP H 141 7.758 -3.186 12.106 1.00 0.00 C +ATOM 2711 CZ2 TRP H 141 6.019 -1.270 10.915 1.00 0.00 C +ATOM 2712 CZ3 TRP H 141 8.218 -1.899 11.806 1.00 0.00 C +ATOM 2713 CH2 TRP H 141 7.331 -0.951 11.250 1.00 0.00 C +ATOM 2714 H TRP H 141 7.295 -5.488 14.393 1.00 0.00 H +ATOM 2715 HA TRP H 141 4.933 -6.524 13.669 1.00 0.00 H +ATOM 2716 HB2 TRP H 141 7.291 -6.062 12.145 1.00 0.00 H +ATOM 2717 HB3 TRP H 141 6.070 -6.810 11.526 1.00 0.00 H +ATOM 2718 HD1 TRP H 141 3.823 -5.142 11.189 1.00 0.00 H +ATOM 2719 HE1 TRP H 141 3.689 -2.808 10.640 1.00 0.00 H +ATOM 2720 HE3 TRP H 141 8.287 -3.777 12.592 1.00 0.00 H +ATOM 2721 HZ2 TRP H 141 5.433 -0.630 10.580 1.00 0.00 H +ATOM 2722 HZ3 TRP H 141 9.104 -1.669 11.972 1.00 0.00 H +ATOM 2723 HH2 TRP H 141 7.634 -0.084 11.103 1.00 0.00 H +ATOM 2724 N GLY H 142 6.565 -8.512 14.935 1.00 0.00 N +ATOM 2725 CA GLY H 142 6.926 -9.868 15.288 1.00 0.00 C +ATOM 2726 C GLY H 142 5.715 -10.812 15.460 1.00 0.00 C +ATOM 2727 O GLY H 142 4.530 -10.548 15.248 1.00 0.00 O +ATOM 2728 H GLY H 142 6.580 -7.992 15.620 1.00 0.00 H +ATOM 2729 HA2 GLY H 142 7.510 -10.227 14.602 1.00 0.00 H +ATOM 2730 HA3 GLY H 142 7.434 -9.854 16.114 1.00 0.00 H +ATOM 2731 N ASN H 143 6.185 -12.051 15.620 1.00 0.00 N +ATOM 2732 CA ASN H 143 5.313 -13.199 15.754 1.00 0.00 C +ATOM 2733 C ASN H 143 4.279 -12.898 16.838 1.00 0.00 C +ATOM 2734 O ASN H 143 4.658 -12.340 17.916 1.00 0.00 O +ATOM 2735 CB ASN H 143 6.114 -14.510 16.006 1.00 0.00 C +ATOM 2736 CG ASN H 143 6.968 -14.816 14.775 1.00 0.00 C +ATOM 2737 OD1 ASN H 143 6.824 -14.286 13.640 1.00 0.00 O +ATOM 2738 ND2 ASN H 143 8.062 -15.523 15.034 1.00 0.00 N +ATOM 2739 H ASN H 143 7.023 -12.241 15.653 1.00 0.00 H +ATOM 2740 HA ASN H 143 4.842 -13.357 14.921 1.00 0.00 H +ATOM 2741 HB2 ASN H 143 6.678 -14.413 16.789 1.00 0.00 H +ATOM 2742 HB3 ASN H 143 5.506 -15.245 16.183 1.00 0.00 H +ATOM 2743 HD21 ASN H 143 8.666 -15.617 14.429 1.00 0.00 H +ATOM 2744 HD22 ASN H 143 8.166 -15.887 15.806 1.00 0.00 H +ATOM 2745 N LEU H 144 3.087 -13.450 16.523 1.00 0.00 N +ATOM 2746 CA LEU H 144 1.928 -13.358 17.415 1.00 0.00 C +ATOM 2747 C LEU H 144 1.894 -14.451 18.491 1.00 0.00 C +ATOM 2748 O LEU H 144 1.081 -14.367 19.437 1.00 0.00 O +ATOM 2749 CB LEU H 144 0.691 -13.318 16.508 1.00 0.00 C +ATOM 2750 CG LEU H 144 0.731 -12.128 15.508 1.00 0.00 C +ATOM 2751 CD1 LEU H 144 -0.170 -12.417 14.328 1.00 0.00 C +ATOM 2752 CD2 LEU H 144 0.289 -10.876 16.281 1.00 0.00 C +ATOM 2753 H LEU H 144 2.938 -13.881 15.794 1.00 0.00 H +ATOM 2754 HA LEU H 144 1.968 -12.551 17.952 1.00 0.00 H +ATOM 2755 HB2 LEU H 144 0.627 -14.151 16.014 1.00 0.00 H +ATOM 2756 HB3 LEU H 144 -0.107 -13.251 17.055 1.00 0.00 H +ATOM 2757 HG LEU H 144 1.622 -11.989 15.149 1.00 0.00 H +ATOM 2758 HD11 LEU H 144 -0.141 -11.671 13.708 1.00 0.00 H +ATOM 2759 HD12 LEU H 144 0.132 -13.222 13.879 1.00 0.00 H +ATOM 2760 HD13 LEU H 144 -1.080 -12.543 14.639 1.00 0.00 H +ATOM 2761 HD21 LEU H 144 0.301 -10.108 15.688 1.00 0.00 H +ATOM 2762 HD22 LEU H 144 -0.610 -11.007 16.622 1.00 0.00 H +ATOM 2763 HD23 LEU H 144 0.896 -10.722 17.022 1.00 0.00 H +ATOM 2764 N LYS H 145 2.716 -15.441 18.326 1.00 0.00 N +ATOM 2765 CA LYS H 145 2.739 -16.555 19.311 1.00 0.00 C +ATOM 2766 C LYS H 145 4.059 -17.312 19.163 1.00 0.00 C +ATOM 2767 O LYS H 145 4.677 -17.271 18.087 1.00 0.00 O +ATOM 2768 CB LYS H 145 1.614 -17.548 18.956 1.00 0.00 C +ATOM 2769 CG LYS H 145 1.763 -17.810 17.434 1.00 0.00 C +ATOM 2770 CD LYS H 145 0.567 -18.630 16.935 1.00 0.00 C +ATOM 2771 CE LYS H 145 -0.595 -18.566 17.948 1.00 0.00 C +ATOM 2772 NZ LYS H 145 -1.558 -19.650 17.567 1.00 0.00 N +ATOM 2773 H LYS H 145 3.271 -15.516 17.674 1.00 0.00 H +ATOM 2774 HA LYS H 145 2.632 -16.201 20.208 1.00 0.00 H +ATOM 2775 HB2 LYS H 145 1.701 -18.371 19.463 1.00 0.00 H +ATOM 2776 HB3 LYS H 145 0.742 -17.177 19.164 1.00 0.00 H +ATOM 2777 HG2 LYS H 145 1.812 -16.968 16.955 1.00 0.00 H +ATOM 2778 HG3 LYS H 145 2.590 -18.286 17.258 1.00 0.00 H +ATOM 2779 HD2 LYS H 145 0.272 -18.291 16.075 1.00 0.00 H +ATOM 2780 HD3 LYS H 145 0.835 -19.553 16.800 1.00 0.00 H +ATOM 2781 HE2 LYS H 145 -0.271 -18.696 18.853 1.00 0.00 H +ATOM 2782 HE3 LYS H 145 -1.026 -17.698 17.923 1.00 0.00 H +ATOM 2783 HZ1 LYS H 145 -2.068 -19.854 18.267 1.00 0.00 H +ATOM 2784 HZ2 LYS H 145 -2.072 -19.369 16.897 1.00 0.00 H +ATOM 2785 HZ3 LYS H 145 -1.106 -20.372 17.310 1.00 0.00 H +ATOM 2786 N GLU H 146 4.428 -17.925 20.301 1.00 0.00 N +ATOM 2787 CA GLU H 146 5.699 -18.679 20.322 1.00 0.00 C +ATOM 2788 C GLU H 146 5.728 -19.707 19.184 1.00 0.00 C +ATOM 2789 O GLU H 146 6.511 -19.733 18.221 1.00 0.00 O +ATOM 2790 CB GLU H 146 5.843 -19.480 21.632 1.00 0.00 C +ATOM 2791 CG GLU H 146 7.311 -19.574 22.061 1.00 0.00 C +ATOM 2792 CD GLU H 146 7.549 -20.231 23.358 1.00 0.00 C +ATOM 2793 OE1 GLU H 146 6.838 -19.866 24.332 1.00 0.00 O +ATOM 2794 OE2 GLU H 146 8.438 -21.070 23.455 1.00 0.00 O +ATOM 2795 H GLU H 146 3.983 -17.920 21.037 1.00 0.00 H +ATOM 2796 HA GLU H 146 6.414 -18.029 20.233 1.00 0.00 H +ATOM 2797 HB2 GLU H 146 5.324 -19.055 22.333 1.00 0.00 H +ATOM 2798 HB3 GLU H 146 5.480 -20.371 21.511 1.00 0.00 H +ATOM 2799 HG2 GLU H 146 7.802 -20.055 21.377 1.00 0.00 H +ATOM 2800 HG3 GLU H 146 7.680 -18.678 22.097 1.00 0.00 H +ATOM 2801 N GLY H 150 0.684 -15.965 12.566 1.00 0.00 N +ATOM 2802 CA GLY H 150 2.014 -15.979 13.266 1.00 0.00 C +ATOM 2803 C GLY H 150 2.648 -14.606 13.047 1.00 0.00 C +ATOM 2804 O GLY H 150 3.401 -14.061 13.861 1.00 0.00 O +ATOM 2805 HA2 GLY H 150 1.902 -16.158 14.213 1.00 0.00 H +ATOM 2806 HA3 GLY H 150 2.582 -16.680 12.910 1.00 0.00 H +ATOM 2807 N GLN H 151 2.295 -14.059 11.884 1.00 0.00 N +ATOM 2808 CA GLN H 151 2.749 -12.692 11.531 1.00 0.00 C +ATOM 2809 C GLN H 151 1.516 -11.815 11.357 1.00 0.00 C +ATOM 2810 O GLN H 151 0.496 -12.290 10.806 1.00 0.00 O +ATOM 2811 CB GLN H 151 3.752 -12.707 10.400 1.00 0.00 C +ATOM 2812 CG GLN H 151 4.835 -13.708 10.860 1.00 0.00 C +ATOM 2813 CD GLN H 151 5.431 -14.455 9.707 1.00 0.00 C +ATOM 2814 OE1 GLN H 151 4.731 -14.818 8.747 1.00 0.00 O +ATOM 2815 NE2 GLN H 151 6.747 -14.712 9.808 1.00 0.00 N +ATOM 2816 H GLN H 151 1.805 -14.444 11.291 1.00 0.00 H +ATOM 2817 HA GLN H 151 3.266 -12.285 12.244 1.00 0.00 H +ATOM 2818 HB2 GLN H 151 3.342 -12.988 9.567 1.00 0.00 H +ATOM 2819 HB3 GLN H 151 4.127 -11.825 10.248 1.00 0.00 H +ATOM 2820 HG2 GLN H 151 5.535 -13.232 11.333 1.00 0.00 H +ATOM 2821 HG3 GLN H 151 4.447 -14.338 11.487 1.00 0.00 H +ATOM 2822 HE21 GLN H 151 7.187 -14.438 10.494 1.00 0.00 H +ATOM 2823 HE22 GLN H 151 7.149 -15.150 9.186 1.00 0.00 H +ATOM 2824 N PRO H 152 1.633 -10.620 11.981 1.00 0.00 N +ATOM 2825 CA PRO H 152 0.545 -9.638 11.916 1.00 0.00 C +ATOM 2826 C PRO H 152 0.502 -9.051 10.500 1.00 0.00 C +ATOM 2827 O PRO H 152 1.556 -9.127 9.776 1.00 0.00 O +ATOM 2828 CB PRO H 152 1.004 -8.530 12.895 1.00 0.00 C +ATOM 2829 CG PRO H 152 2.395 -8.786 13.271 1.00 0.00 C +ATOM 2830 CD PRO H 152 2.807 -10.127 12.702 1.00 0.00 C +ATOM 2831 HA PRO H 152 -0.326 -10.008 12.129 1.00 0.00 H +ATOM 2832 HB2 PRO H 152 0.923 -7.658 12.478 1.00 0.00 H +ATOM 2833 HB3 PRO H 152 0.438 -8.522 13.683 1.00 0.00 H +ATOM 2834 HG2 PRO H 152 2.971 -8.084 12.930 1.00 0.00 H +ATOM 2835 HG3 PRO H 152 2.489 -8.786 14.236 1.00 0.00 H +ATOM 2836 HD2 PRO H 152 3.569 -10.036 12.109 1.00 0.00 H +ATOM 2837 HD3 PRO H 152 3.068 -10.741 13.407 1.00 0.00 H +ATOM 2838 N SER H 153 -0.603 -8.387 10.146 1.00 0.00 N +ATOM 2839 CA SER H 153 -0.487 -7.693 8.821 1.00 0.00 C +ATOM 2840 C SER H 153 -0.081 -6.233 9.125 1.00 0.00 C +ATOM 2841 O SER H 153 0.633 -5.643 8.292 1.00 0.00 O +ATOM 2842 CB SER H 153 -1.655 -7.713 7.896 1.00 0.00 C +ATOM 2843 OG SER H 153 -2.855 -7.506 8.654 1.00 0.00 O +ATOM 2844 H SER H 153 -1.343 -8.318 10.579 1.00 0.00 H +ATOM 2845 HA SER H 153 0.167 -8.205 8.320 1.00 0.00 H +ATOM 2846 HB2 SER H 153 -1.561 -7.021 7.222 1.00 0.00 H +ATOM 2847 HB3 SER H 153 -1.697 -8.561 7.428 1.00 0.00 H +ATOM 2848 HG SER H 153 -3.518 -7.515 8.138 1.00 0.00 H +ATOM 2849 N VAL H 154 -0.391 -5.855 10.364 1.00 0.00 N +ATOM 2850 CA VAL H 154 -0.037 -4.412 10.748 1.00 0.00 C +ATOM 2851 C VAL H 154 0.752 -4.360 12.037 1.00 0.00 C +ATOM 2852 O VAL H 154 0.790 -5.375 12.749 1.00 0.00 O +ATOM 2853 CB VAL H 154 -1.426 -3.800 10.685 1.00 0.00 C +ATOM 2854 CG1 VAL H 154 -2.029 -3.294 11.937 1.00 0.00 C +ATOM 2855 CG2 VAL H 154 -1.583 -2.987 9.415 1.00 0.00 C +ATOM 2856 H VAL H 154 -0.768 -6.337 10.968 1.00 0.00 H +ATOM 2857 HA VAL H 154 0.581 -3.913 10.192 1.00 0.00 H +ATOM 2858 HB VAL H 154 -2.051 -4.538 10.607 1.00 0.00 H +ATOM 2859 HG11 VAL H 154 -2.910 -2.934 11.750 1.00 0.00 H +ATOM 2860 HG12 VAL H 154 -2.106 -4.020 12.576 1.00 0.00 H +ATOM 2861 HG13 VAL H 154 -1.467 -2.596 12.308 1.00 0.00 H +ATOM 2862 HG21 VAL H 154 -2.473 -2.601 9.385 1.00 0.00 H +ATOM 2863 HG22 VAL H 154 -0.923 -2.277 9.401 1.00 0.00 H +ATOM 2864 HG23 VAL H 154 -1.455 -3.562 8.644 1.00 0.00 H +ATOM 2865 N LEU H 155 1.362 -3.191 12.327 1.00 0.00 N +ATOM 2866 CA LEU H 155 2.111 -2.990 13.565 1.00 0.00 C +ATOM 2867 C LEU H 155 1.242 -3.334 14.759 1.00 0.00 C +ATOM 2868 O LEU H 155 0.039 -3.014 14.681 1.00 0.00 O +ATOM 2869 CB LEU H 155 2.663 -1.532 13.578 1.00 0.00 C +ATOM 2870 CG LEU H 155 3.520 -1.213 14.809 1.00 0.00 C +ATOM 2871 CD1 LEU H 155 4.944 -1.786 14.637 1.00 0.00 C +ATOM 2872 CD2 LEU H 155 3.568 0.316 14.971 1.00 0.00 C +ATOM 2873 H LEU H 155 1.347 -2.504 11.809 1.00 0.00 H +ATOM 2874 HA LEU H 155 2.875 -3.586 13.619 1.00 0.00 H +ATOM 2875 HB2 LEU H 155 3.192 -1.387 12.778 1.00 0.00 H +ATOM 2876 HB3 LEU H 155 1.918 -0.912 13.542 1.00 0.00 H +ATOM 2877 HG LEU H 155 3.134 -1.619 15.601 1.00 0.00 H +ATOM 2878 HD11 LEU H 155 5.474 -1.577 15.422 1.00 0.00 H +ATOM 2879 HD12 LEU H 155 4.895 -2.749 14.528 1.00 0.00 H +ATOM 2880 HD13 LEU H 155 5.359 -1.393 13.853 1.00 0.00 H +ATOM 2881 HD21 LEU H 155 4.106 0.543 15.746 1.00 0.00 H +ATOM 2882 HD22 LEU H 155 3.960 0.713 14.178 1.00 0.00 H +ATOM 2883 HD23 LEU H 155 2.668 0.657 15.092 1.00 0.00 H +ATOM 2884 N GLN H 156 1.753 -4.065 15.766 1.00 0.00 N +ATOM 2885 CA GLN H 156 0.980 -4.373 16.985 1.00 0.00 C +ATOM 2886 C GLN H 156 1.500 -3.517 18.187 1.00 0.00 C +ATOM 2887 O GLN H 156 2.645 -3.103 18.222 1.00 0.00 O +ATOM 2888 CB GLN H 156 1.052 -5.848 17.460 1.00 0.00 C +ATOM 2889 CG GLN H 156 0.759 -6.822 16.263 1.00 0.00 C +ATOM 2890 CD GLN H 156 -0.764 -6.812 16.090 1.00 0.00 C +ATOM 2891 OE1 GLN H 156 -1.287 -6.340 15.048 1.00 0.00 O +ATOM 2892 NE2 GLN H 156 -1.460 -7.194 17.128 1.00 0.00 N +ATOM 2893 H GLN H 156 2.548 -4.392 15.762 1.00 0.00 H +ATOM 2894 HA GLN H 156 0.064 -4.175 16.733 1.00 0.00 H +ATOM 2895 HB2 GLN H 156 1.930 -6.033 17.828 1.00 0.00 H +ATOM 2896 HB3 GLN H 156 0.409 -5.997 18.171 1.00 0.00 H +ATOM 2897 HG2 GLN H 156 1.204 -6.525 15.454 1.00 0.00 H +ATOM 2898 HG3 GLN H 156 1.083 -7.716 16.453 1.00 0.00 H +ATOM 2899 HE21 GLN H 156 -1.061 -7.511 17.820 1.00 0.00 H +ATOM 2900 HE22 GLN H 156 -2.317 -7.128 17.119 1.00 0.00 H +ATOM 2901 N VAL H 157 0.715 -3.546 19.228 1.00 0.00 N +ATOM 2902 CA VAL H 157 1.046 -2.794 20.436 1.00 0.00 C +ATOM 2903 C VAL H 157 0.635 -3.551 21.681 1.00 0.00 C +ATOM 2904 O VAL H 157 -0.448 -4.126 21.563 1.00 0.00 O +ATOM 2905 CB VAL H 157 0.266 -1.416 20.326 1.00 0.00 C +ATOM 2906 CG1 VAL H 157 0.416 -0.568 21.593 1.00 0.00 C +ATOM 2907 CG2 VAL H 157 0.933 -0.705 19.145 1.00 0.00 C +ATOM 2908 H VAL H 157 -0.019 -3.992 19.270 1.00 0.00 H +ATOM 2909 HA VAL H 157 2.003 -2.652 20.507 1.00 0.00 H +ATOM 2910 HB VAL H 157 -0.687 -1.555 20.210 1.00 0.00 H +ATOM 2911 HG11 VAL H 157 -0.073 0.263 21.486 1.00 0.00 H +ATOM 2912 HG12 VAL H 157 0.062 -1.056 22.353 1.00 0.00 H +ATOM 2913 HG13 VAL H 157 1.354 -0.373 21.743 1.00 0.00 H +ATOM 2914 HG21 VAL H 157 0.511 0.157 19.006 1.00 0.00 H +ATOM 2915 HG22 VAL H 157 1.876 -0.577 19.335 1.00 0.00 H +ATOM 2916 HG23 VAL H 157 0.835 -1.245 18.345 1.00 0.00 H +ATOM 2917 N VAL H 158 1.352 -3.408 22.755 1.00 0.00 N +ATOM 2918 CA VAL H 158 0.979 -3.936 24.078 1.00 0.00 C +ATOM 2919 C VAL H 158 1.518 -2.998 25.170 1.00 0.00 C +ATOM 2920 O VAL H 158 2.655 -2.573 25.032 1.00 0.00 O +ATOM 2921 CB VAL H 158 1.456 -5.442 24.161 1.00 0.00 C +ATOM 2922 CG1 VAL H 158 2.958 -5.688 24.167 1.00 0.00 C +ATOM 2923 CG2 VAL H 158 0.759 -6.106 25.323 1.00 0.00 C +ATOM 2924 H VAL H 158 2.102 -2.988 22.758 1.00 0.00 H +ATOM 2925 HA VAL H 158 0.020 -3.954 24.222 1.00 0.00 H +ATOM 2926 HB VAL H 158 1.196 -5.850 23.320 1.00 0.00 H +ATOM 2927 HG11 VAL H 158 3.130 -6.641 24.220 1.00 0.00 H +ATOM 2928 HG12 VAL H 158 3.347 -5.335 23.352 1.00 0.00 H +ATOM 2929 HG13 VAL H 158 3.356 -5.245 24.933 1.00 0.00 H +ATOM 2930 HG21 VAL H 158 1.043 -7.031 25.385 1.00 0.00 H +ATOM 2931 HG22 VAL H 158 0.986 -5.643 26.144 1.00 0.00 H +ATOM 2932 HG23 VAL H 158 -0.201 -6.071 25.187 1.00 0.00 H +ATOM 2933 N ASN H 159 0.875 -2.820 26.294 1.00 0.00 N +ATOM 2934 CA ASN H 159 1.339 -2.083 27.483 1.00 0.00 C +ATOM 2935 C ASN H 159 1.757 -3.068 28.567 1.00 0.00 C +ATOM 2936 O ASN H 159 0.900 -3.907 28.939 1.00 0.00 O +ATOM 2937 CB ASN H 159 0.142 -1.152 27.928 1.00 0.00 C +ATOM 2938 CG ASN H 159 -0.194 -0.186 26.752 1.00 0.00 C +ATOM 2939 OD1 ASN H 159 0.708 0.173 25.962 1.00 0.00 O +ATOM 2940 ND2 ASN H 159 -1.465 0.138 26.533 1.00 0.00 N +ATOM 2941 H ASN H 159 0.088 -3.147 26.410 1.00 0.00 H +ATOM 2942 HA ASN H 159 2.120 -1.537 27.300 1.00 0.00 H +ATOM 2943 HB2 ASN H 159 -0.634 -1.687 28.158 1.00 0.00 H +ATOM 2944 HB3 ASN H 159 0.383 -0.648 28.721 1.00 0.00 H +ATOM 2945 HD21 ASN H 159 -1.677 0.601 25.840 1.00 0.00 H +ATOM 2946 HD22 ASN H 159 -2.074 -0.115 27.084 1.00 0.00 H +ATOM 2947 N LEU H 160 2.914 -3.051 29.182 1.00 0.00 N +ATOM 2948 CA LEU H 160 3.328 -4.046 30.215 1.00 0.00 C +ATOM 2949 C LEU H 160 3.904 -3.319 31.410 1.00 0.00 C +ATOM 2950 O LEU H 160 4.731 -2.376 31.217 1.00 0.00 O +ATOM 2951 CB LEU H 160 4.467 -4.869 29.517 1.00 0.00 C +ATOM 2952 CG LEU H 160 4.083 -5.676 28.298 1.00 0.00 C +ATOM 2953 CD1 LEU H 160 5.302 -6.226 27.548 1.00 0.00 C +ATOM 2954 CD2 LEU H 160 3.125 -6.795 28.662 1.00 0.00 C +ATOM 2955 H LEU H 160 3.514 -2.456 29.025 1.00 0.00 H +ATOM 2956 HA LEU H 160 2.592 -4.598 30.523 1.00 0.00 H +ATOM 2957 HB2 LEU H 160 5.171 -4.252 29.261 1.00 0.00 H +ATOM 2958 HB3 LEU H 160 4.846 -5.475 30.173 1.00 0.00 H +ATOM 2959 HG LEU H 160 3.630 -5.067 27.694 1.00 0.00 H +ATOM 2960 HD11 LEU H 160 5.005 -6.734 26.777 1.00 0.00 H +ATOM 2961 HD12 LEU H 160 5.861 -5.490 27.254 1.00 0.00 H +ATOM 2962 HD13 LEU H 160 5.812 -6.802 28.138 1.00 0.00 H +ATOM 2963 HD21 LEU H 160 2.895 -7.296 27.864 1.00 0.00 H +ATOM 2964 HD22 LEU H 160 3.547 -7.386 29.305 1.00 0.00 H +ATOM 2965 HD23 LEU H 160 2.320 -6.418 29.050 1.00 0.00 H +ATOM 2966 N PRO H 161 3.802 -3.908 32.582 1.00 0.00 N +ATOM 2967 CA PRO H 161 4.305 -3.228 33.778 1.00 0.00 C +ATOM 2968 C PRO H 161 5.777 -3.515 33.985 1.00 0.00 C +ATOM 2969 O PRO H 161 6.245 -4.596 33.501 1.00 0.00 O +ATOM 2970 CB PRO H 161 3.469 -3.843 34.920 1.00 0.00 C +ATOM 2971 CG PRO H 161 2.716 -5.023 34.359 1.00 0.00 C +ATOM 2972 CD PRO H 161 2.872 -5.020 32.870 1.00 0.00 C +ATOM 2973 HA PRO H 161 4.225 -2.263 33.723 1.00 0.00 H +ATOM 2974 HB2 PRO H 161 4.044 -4.123 35.649 1.00 0.00 H +ATOM 2975 HB3 PRO H 161 2.852 -3.187 35.281 1.00 0.00 H +ATOM 2976 HG2 PRO H 161 3.059 -5.850 34.732 1.00 0.00 H +ATOM 2977 HG3 PRO H 161 1.778 -4.970 34.600 1.00 0.00 H +ATOM 2978 HD2 PRO H 161 3.227 -5.865 32.553 1.00 0.00 H +ATOM 2979 HD3 PRO H 161 2.019 -4.887 32.428 1.00 0.00 H +ATOM 2980 N ILE H 162 6.541 -2.591 34.536 1.00 0.00 N +ATOM 2981 CA ILE H 162 7.946 -2.917 34.883 1.00 0.00 C +ATOM 2982 C ILE H 162 7.890 -3.855 36.143 1.00 0.00 C +ATOM 2983 O ILE H 162 7.019 -3.673 37.018 1.00 0.00 O +ATOM 2984 CB ILE H 162 8.732 -1.629 35.155 1.00 0.00 C +ATOM 2985 CG1 ILE H 162 8.829 -0.864 33.782 1.00 0.00 C +ATOM 2986 CG2 ILE H 162 10.150 -1.902 35.760 1.00 0.00 C +ATOM 2987 CD1 ILE H 162 9.241 0.608 34.031 1.00 0.00 C +ATOM 2988 H ILE H 162 6.292 -1.789 34.719 1.00 0.00 H +ATOM 2989 HA ILE H 162 8.404 -3.368 34.157 1.00 0.00 H +ATOM 2990 HB ILE H 162 8.274 -1.096 35.823 1.00 0.00 H +ATOM 2991 HG12 ILE H 162 9.478 -1.297 33.206 1.00 0.00 H +ATOM 2992 HG13 ILE H 162 7.975 -0.897 33.323 1.00 0.00 H +ATOM 2993 HG21 ILE H 162 10.605 -1.059 35.913 1.00 0.00 H +ATOM 2994 HG22 ILE H 162 10.057 -2.376 36.601 1.00 0.00 H +ATOM 2995 HG23 ILE H 162 10.668 -2.440 35.141 1.00 0.00 H +ATOM 2996 HD11 ILE H 162 9.300 1.076 33.183 1.00 0.00 H +ATOM 2997 HD12 ILE H 162 8.578 1.039 34.592 1.00 0.00 H +ATOM 2998 HD13 ILE H 162 10.104 0.632 34.474 1.00 0.00 H +ATOM 2999 N VAL H 163 8.814 -4.770 36.246 1.00 0.00 N +ATOM 3000 CA VAL H 163 8.841 -5.777 37.362 1.00 0.00 C +ATOM 3001 C VAL H 163 10.068 -5.544 38.215 1.00 0.00 C +ATOM 3002 O VAL H 163 11.137 -5.230 37.612 1.00 0.00 O +ATOM 3003 CB VAL H 163 8.795 -7.176 36.686 1.00 0.00 C +ATOM 3004 CG1 VAL H 163 8.899 -8.354 37.640 1.00 0.00 C +ATOM 3005 CG2 VAL H 163 7.590 -7.302 35.738 1.00 0.00 C +ATOM 3006 H VAL H 163 9.461 -4.854 35.686 1.00 0.00 H +ATOM 3007 HA VAL H 163 8.087 -5.702 37.967 1.00 0.00 H +ATOM 3008 HB VAL H 163 9.607 -7.227 36.157 1.00 0.00 H +ATOM 3009 HG11 VAL H 163 8.862 -9.182 37.137 1.00 0.00 H +ATOM 3010 HG12 VAL H 163 9.739 -8.307 38.123 1.00 0.00 H +ATOM 3011 HG13 VAL H 163 8.162 -8.326 38.270 1.00 0.00 H +ATOM 3012 HG21 VAL H 163 7.588 -8.183 35.332 1.00 0.00 H +ATOM 3013 HG22 VAL H 163 6.769 -7.175 36.239 1.00 0.00 H +ATOM 3014 HG23 VAL H 163 7.652 -6.627 35.044 1.00 0.00 H +ATOM 3015 N GLU H 164 9.992 -5.774 39.504 1.00 0.00 N +ATOM 3016 CA GLU H 164 11.134 -5.615 40.451 1.00 0.00 C +ATOM 3017 C GLU H 164 12.305 -6.536 40.122 1.00 0.00 C +ATOM 3018 O GLU H 164 12.204 -7.692 39.732 1.00 0.00 O +ATOM 3019 CB GLU H 164 10.775 -5.815 41.902 1.00 0.00 C +ATOM 3020 CG GLU H 164 9.324 -5.507 42.358 1.00 0.00 C +ATOM 3021 CD GLU H 164 8.332 -6.333 41.570 1.00 0.00 C +ATOM 3022 OE1 GLU H 164 9.038 -7.226 40.986 1.00 0.00 O +ATOM 3023 OE2 GLU H 164 7.137 -6.272 41.368 1.00 0.00 O +ATOM 3024 H GLU H 164 9.267 -6.035 39.887 1.00 0.00 H +ATOM 3025 HA GLU H 164 11.393 -4.688 40.328 1.00 0.00 H +ATOM 3026 HB2 GLU H 164 10.965 -6.739 42.128 1.00 0.00 H +ATOM 3027 HB3 GLU H 164 11.373 -5.265 42.432 1.00 0.00 H +ATOM 3028 HG2 GLU H 164 9.230 -5.696 43.305 1.00 0.00 H +ATOM 3029 HG3 GLU H 164 9.135 -4.563 42.237 1.00 0.00 H +ATOM 3030 N ARG H 165 13.520 -6.068 40.347 1.00 0.00 N +ATOM 3031 CA ARG H 165 14.779 -6.701 40.026 1.00 0.00 C +ATOM 3032 C ARG H 165 14.891 -8.147 40.527 1.00 0.00 C +ATOM 3033 O ARG H 165 15.381 -9.013 39.774 1.00 0.00 O +ATOM 3034 CB ARG H 165 15.959 -5.829 40.431 1.00 0.00 C +ATOM 3035 CG ARG H 165 17.362 -6.313 40.186 1.00 0.00 C +ATOM 3036 CD ARG H 165 18.507 -5.847 41.038 1.00 0.00 C +ATOM 3037 NE ARG H 165 19.774 -5.748 40.321 1.00 0.00 N +ATOM 3038 CZ ARG H 165 20.782 -6.623 40.188 1.00 0.00 C +ATOM 3039 NH1 ARG H 165 20.764 -7.789 40.874 1.00 0.00 N +ATOM 3040 NH2 ARG H 165 21.638 -6.426 39.126 1.00 0.00 N +ATOM 3041 H ARG H 165 13.637 -5.304 40.725 1.00 0.00 H +ATOM 3042 HA ARG H 165 14.806 -6.782 39.060 1.00 0.00 H +ATOM 3043 HB2 ARG H 165 15.862 -4.979 39.974 1.00 0.00 H +ATOM 3044 HB3 ARG H 165 15.875 -5.651 41.381 1.00 0.00 H +ATOM 3045 HG2 ARG H 165 17.342 -7.281 40.244 1.00 0.00 H +ATOM 3046 HG3 ARG H 165 17.582 -6.089 39.268 1.00 0.00 H +ATOM 3047 HD2 ARG H 165 18.288 -4.979 41.412 1.00 0.00 H +ATOM 3048 HD3 ARG H 165 18.614 -6.458 41.783 1.00 0.00 H +ATOM 3049 HE ARG H 165 19.895 -5.000 39.914 1.00 0.00 H +ATOM 3050 HH11 ARG H 165 20.105 -7.970 41.397 1.00 0.00 H +ATOM 3051 HH12 ARG H 165 21.411 -8.349 40.788 1.00 0.00 H +ATOM 3052 HH21 ARG H 165 21.511 -5.767 38.588 1.00 0.00 H +ATOM 3053 HH22 ARG H 165 22.299 -6.962 39.001 1.00 0.00 H +ATOM 3054 N PRO H 166 14.458 -8.405 41.753 1.00 0.00 N +ATOM 3055 CA PRO H 166 14.501 -9.696 42.407 1.00 0.00 C +ATOM 3056 C PRO H 166 13.686 -10.719 41.656 1.00 0.00 C +ATOM 3057 O PRO H 166 14.146 -11.835 41.488 1.00 0.00 O +ATOM 3058 CB PRO H 166 13.936 -9.489 43.829 1.00 0.00 C +ATOM 3059 CG PRO H 166 13.590 -8.059 43.983 1.00 0.00 C +ATOM 3060 CD PRO H 166 13.870 -7.383 42.652 1.00 0.00 C +ATOM 3061 HA PRO H 166 15.410 -10.033 42.435 1.00 0.00 H +ATOM 3062 HB2 PRO H 166 13.152 -10.044 43.966 1.00 0.00 H +ATOM 3063 HB3 PRO H 166 14.590 -9.753 44.495 1.00 0.00 H +ATOM 3064 HG2 PRO H 166 12.657 -7.957 44.229 1.00 0.00 H +ATOM 3065 HG3 PRO H 166 14.116 -7.654 44.690 1.00 0.00 H +ATOM 3066 HD2 PRO H 166 13.053 -7.023 42.273 1.00 0.00 H +ATOM 3067 HD3 PRO H 166 14.480 -6.638 42.769 1.00 0.00 H +ATOM 3068 N VAL H 167 12.460 -10.394 41.359 1.00 0.00 N +ATOM 3069 CA VAL H 167 11.572 -11.231 40.586 1.00 0.00 C +ATOM 3070 C VAL H 167 12.200 -11.563 39.230 1.00 0.00 C +ATOM 3071 O VAL H 167 12.099 -12.649 38.657 1.00 0.00 O +ATOM 3072 CB VAL H 167 10.206 -10.483 40.545 1.00 0.00 C +ATOM 3073 CG1 VAL H 167 9.074 -11.322 39.996 1.00 0.00 C +ATOM 3074 CG2 VAL H 167 9.865 -9.926 41.897 1.00 0.00 C +ATOM 3075 H VAL H 167 12.101 -9.653 41.608 1.00 0.00 H +ATOM 3076 HA VAL H 167 11.418 -12.105 40.977 1.00 0.00 H +ATOM 3077 HB VAL H 167 10.315 -9.748 39.921 1.00 0.00 H +ATOM 3078 HG11 VAL H 167 8.255 -10.802 39.997 1.00 0.00 H +ATOM 3079 HG12 VAL H 167 9.283 -11.594 39.089 1.00 0.00 H +ATOM 3080 HG13 VAL H 167 8.957 -12.110 40.550 1.00 0.00 H +ATOM 3081 HG21 VAL H 167 9.013 -9.465 41.852 1.00 0.00 H +ATOM 3082 HG22 VAL H 167 9.807 -10.650 42.540 1.00 0.00 H +ATOM 3083 HG23 VAL H 167 10.555 -9.303 42.174 1.00 0.00 H +ATOM 3084 N CYS H 168 12.840 -10.490 38.654 1.00 0.00 N +ATOM 3085 CA CYS H 168 13.486 -10.645 37.344 1.00 0.00 C +ATOM 3086 C CYS H 168 14.551 -11.738 37.478 1.00 0.00 C +ATOM 3087 O CYS H 168 14.580 -12.663 36.583 1.00 0.00 O +ATOM 3088 CB CYS H 168 14.052 -9.342 36.772 1.00 0.00 C +ATOM 3089 SG CYS H 168 12.831 -8.008 36.375 1.00 0.00 S +ATOM 3090 H CYS H 168 12.899 -9.706 39.003 1.00 0.00 H +ATOM 3091 HA CYS H 168 12.815 -10.906 36.694 1.00 0.00 H +ATOM 3092 HB2 CYS H 168 14.693 -8.986 37.407 1.00 0.00 H +ATOM 3093 HB3 CYS H 168 14.542 -9.555 35.962 1.00 0.00 H +ATOM 3094 N LYS H 169 15.477 -11.568 38.430 1.00 0.00 N +ATOM 3095 CA LYS H 169 16.567 -12.538 38.613 1.00 0.00 C +ATOM 3096 C LYS H 169 16.099 -13.969 38.991 1.00 0.00 C +ATOM 3097 O LYS H 169 16.674 -14.972 38.499 1.00 0.00 O +ATOM 3098 CB LYS H 169 17.577 -12.125 39.661 1.00 0.00 C +ATOM 3099 CG LYS H 169 18.370 -10.854 39.509 1.00 0.00 C +ATOM 3100 CD LYS H 169 19.893 -11.143 39.542 1.00 0.00 C +ATOM 3101 CE LYS H 169 20.259 -12.332 38.631 1.00 0.00 C +ATOM 3102 NZ LYS H 169 21.654 -12.400 38.072 1.00 0.00 N +ATOM 3103 H LYS H 169 15.493 -10.904 38.976 1.00 0.00 H +ATOM 3104 HA LYS H 169 16.974 -12.550 37.733 1.00 0.00 H +ATOM 3105 HB2 LYS H 169 17.104 -12.066 40.506 1.00 0.00 H +ATOM 3106 HB3 LYS H 169 18.215 -12.851 39.744 1.00 0.00 H +ATOM 3107 HG2 LYS H 169 18.137 -10.422 38.672 1.00 0.00 H +ATOM 3108 HG3 LYS H 169 18.139 -10.237 40.221 1.00 0.00 H +ATOM 3109 HD2 LYS H 169 20.380 -10.354 39.258 1.00 0.00 H +ATOM 3110 HD3 LYS H 169 20.168 -11.334 40.452 1.00 0.00 H +ATOM 3111 HE2 LYS H 169 20.101 -13.148 39.132 1.00 0.00 H +ATOM 3112 HE3 LYS H 169 19.641 -12.333 37.884 1.00 0.00 H +ATOM 3113 HZ1 LYS H 169 21.696 -13.041 37.456 1.00 0.00 H +ATOM 3114 HZ2 LYS H 169 21.864 -11.619 37.701 1.00 0.00 H +ATOM 3115 HZ3 LYS H 169 22.228 -12.581 38.727 1.00 0.00 H +ATOM 3116 N ASP H 170 15.075 -14.175 39.756 1.00 0.00 N +ATOM 3117 CA ASP H 170 14.616 -15.498 40.188 1.00 0.00 C +ATOM 3118 C ASP H 170 13.859 -16.246 39.095 1.00 0.00 C +ATOM 3119 O ASP H 170 13.307 -17.331 39.398 1.00 0.00 O +ATOM 3120 CB ASP H 170 13.684 -15.330 41.421 1.00 0.00 C +ATOM 3121 CG ASP H 170 14.500 -15.151 42.689 1.00 0.00 C +ATOM 3122 OD1 ASP H 170 15.734 -15.357 42.573 1.00 0.00 O +ATOM 3123 OD2 ASP H 170 13.910 -14.854 43.754 1.00 0.00 O +ATOM 3124 H ASP H 170 14.592 -13.534 40.064 1.00 0.00 H +ATOM 3125 HA ASP H 170 15.403 -16.021 40.407 1.00 0.00 H +ATOM 3126 HB2 ASP H 170 13.105 -14.563 41.292 1.00 0.00 H +ATOM 3127 HB3 ASP H 170 13.110 -16.107 41.507 1.00 0.00 H +ATOM 3128 N SER H 171 13.758 -15.614 37.927 1.00 0.00 N +ATOM 3129 CA SER H 171 12.903 -16.185 36.865 1.00 0.00 C +ATOM 3130 C SER H 171 13.760 -16.837 35.816 1.00 0.00 C +ATOM 3131 O SER H 171 13.216 -17.463 34.886 1.00 0.00 O +ATOM 3132 CB SER H 171 11.972 -15.110 36.239 1.00 0.00 C +ATOM 3133 OG SER H 171 12.697 -14.337 35.241 1.00 0.00 O +ATOM 3134 H SER H 171 14.157 -14.879 37.726 1.00 0.00 H +ATOM 3135 HA SER H 171 12.329 -16.858 37.264 1.00 0.00 H +ATOM 3136 HB2 SER H 171 11.203 -15.537 35.831 1.00 0.00 H +ATOM 3137 HB3 SER H 171 11.635 -14.521 36.932 1.00 0.00 H +ATOM 3138 HG SER H 171 12.172 -14.110 34.626 1.00 0.00 H +ATOM 3139 N THR H 172 15.081 -16.713 35.940 1.00 0.00 N +ATOM 3140 CA THR H 172 15.943 -17.316 34.904 1.00 0.00 C +ATOM 3141 C THR H 172 17.270 -17.793 35.504 1.00 0.00 C +ATOM 3142 O THR H 172 17.676 -17.282 36.616 1.00 0.00 O +ATOM 3143 CB THR H 172 16.173 -16.132 33.852 1.00 0.00 C +ATOM 3144 OG1 THR H 172 16.998 -16.562 32.734 1.00 0.00 O +ATOM 3145 CG2 THR H 172 16.738 -14.854 34.509 1.00 0.00 C +ATOM 3146 H THR H 172 15.488 -16.307 36.579 1.00 0.00 H +ATOM 3147 HA THR H 172 15.544 -18.100 34.496 1.00 0.00 H +ATOM 3148 HB THR H 172 15.298 -15.902 33.504 1.00 0.00 H +ATOM 3149 HG1 THR H 172 16.902 -17.388 32.616 1.00 0.00 H +ATOM 3150 HG21 THR H 172 16.859 -14.169 33.833 1.00 0.00 H +ATOM 3151 HG22 THR H 172 16.118 -14.536 35.184 1.00 0.00 H +ATOM 3152 HG23 THR H 172 17.592 -15.053 34.923 1.00 0.00 H +ATOM 3153 N ARG H 173 17.996 -18.504 34.691 1.00 0.00 N +ATOM 3154 CA ARG H 173 19.381 -18.897 34.989 1.00 0.00 C +ATOM 3155 C ARG H 173 20.398 -17.941 34.408 1.00 0.00 C +ATOM 3156 O ARG H 173 21.576 -18.171 34.767 1.00 0.00 O +ATOM 3157 CB ARG H 173 19.802 -20.295 34.481 1.00 0.00 C +ATOM 3158 CG ARG H 173 18.915 -21.406 35.070 1.00 0.00 C +ATOM 3159 CD ARG H 173 19.087 -22.717 34.350 1.00 0.00 C +ATOM 3160 NE ARG H 173 20.228 -23.517 34.741 1.00 0.00 N +ATOM 3161 CZ ARG H 173 20.231 -24.880 34.690 1.00 0.00 C +ATOM 3162 NH1 ARG H 173 19.171 -25.569 34.285 1.00 0.00 N +ATOM 3163 NH2 ARG H 173 21.327 -25.505 35.147 1.00 0.00 N +ATOM 3164 H ARG H 173 17.712 -18.788 33.931 1.00 0.00 H +ATOM 3165 HA ARG H 173 19.378 -18.892 35.959 1.00 0.00 H +ATOM 3166 HB2 ARG H 173 19.749 -20.317 33.513 1.00 0.00 H +ATOM 3167 HB3 ARG H 173 20.728 -20.460 34.718 1.00 0.00 H +ATOM 3168 HG2 ARG H 173 19.129 -21.524 36.009 1.00 0.00 H +ATOM 3169 HG3 ARG H 173 17.985 -21.133 35.023 1.00 0.00 H +ATOM 3170 HD2 ARG H 173 18.284 -23.245 34.483 1.00 0.00 H +ATOM 3171 HD3 ARG H 173 19.153 -22.536 33.399 1.00 0.00 H +ATOM 3172 HE ARG H 173 20.936 -23.115 35.018 1.00 0.00 H +ATOM 3173 HH11 ARG H 173 18.456 -25.156 34.045 1.00 0.00 H +ATOM 3174 HH12 ARG H 173 19.200 -26.428 34.262 1.00 0.00 H +ATOM 3175 HH21 ARG H 173 21.987 -25.047 35.454 1.00 0.00 H +ATOM 3176 HH22 ARG H 173 21.370 -26.364 35.133 1.00 0.00 H +ATOM 3177 N ILE H 174 20.082 -17.086 33.443 1.00 0.00 N +ATOM 3178 CA ILE H 174 21.011 -16.078 32.851 1.00 0.00 C +ATOM 3179 C ILE H 174 21.408 -15.022 33.915 1.00 0.00 C +ATOM 3180 O ILE H 174 20.601 -14.591 34.740 1.00 0.00 O +ATOM 3181 CB ILE H 174 20.283 -15.293 31.642 1.00 0.00 C +ATOM 3182 CG1 ILE H 174 19.607 -16.417 30.772 1.00 0.00 C +ATOM 3183 CG2 ILE H 174 21.185 -14.473 30.698 1.00 0.00 C +ATOM 3184 CD1 ILE H 174 20.779 -17.202 30.107 1.00 0.00 C +ATOM 3185 H ILE H 174 19.298 -17.062 33.091 1.00 0.00 H +ATOM 3186 HA ILE H 174 21.795 -16.550 32.530 1.00 0.00 H +ATOM 3187 HB ILE H 174 19.691 -14.641 32.048 1.00 0.00 H +ATOM 3188 HG12 ILE H 174 19.063 -17.003 31.322 1.00 0.00 H +ATOM 3189 HG13 ILE H 174 19.021 -16.033 30.101 1.00 0.00 H +ATOM 3190 HG21 ILE H 174 20.640 -14.049 30.016 1.00 0.00 H +ATOM 3191 HG22 ILE H 174 21.652 -13.792 31.207 1.00 0.00 H +ATOM 3192 HG23 ILE H 174 21.831 -15.061 30.276 1.00 0.00 H +ATOM 3193 HD11 ILE H 174 20.420 -17.913 29.554 1.00 0.00 H +ATOM 3194 HD12 ILE H 174 21.302 -16.598 29.557 1.00 0.00 H +ATOM 3195 HD13 ILE H 174 21.345 -17.583 30.796 1.00 0.00 H +ATOM 3196 N ARG H 175 22.660 -14.602 33.846 1.00 0.00 N +ATOM 3197 CA ARG H 175 23.096 -13.519 34.805 1.00 0.00 C +ATOM 3198 C ARG H 175 22.597 -12.155 34.320 1.00 0.00 C +ATOM 3199 O ARG H 175 22.913 -11.689 33.190 1.00 0.00 O +ATOM 3200 CB ARG H 175 24.627 -13.581 34.850 1.00 0.00 C +ATOM 3201 CG ARG H 175 25.220 -12.394 35.586 1.00 0.00 C +ATOM 3202 CD ARG H 175 26.680 -12.589 35.858 1.00 0.00 C +ATOM 3203 NE ARG H 175 27.370 -12.432 34.543 1.00 0.00 N +ATOM 3204 CZ ARG H 175 27.627 -11.156 34.224 1.00 0.00 C +ATOM 3205 NH1 ARG H 175 27.562 -10.260 35.182 1.00 0.00 N +ATOM 3206 NH2 ARG H 175 28.082 -10.842 33.063 1.00 0.00 N +ATOM 3207 H ARG H 175 23.259 -14.890 33.300 1.00 0.00 H +ATOM 3208 HA ARG H 175 22.726 -13.647 35.692 1.00 0.00 H +ATOM 3209 HB2 ARG H 175 24.904 -14.402 35.285 1.00 0.00 H +ATOM 3210 HB3 ARG H 175 24.976 -13.607 33.945 1.00 0.00 H +ATOM 3211 HG2 ARG H 175 25.093 -11.589 35.060 1.00 0.00 H +ATOM 3212 HG3 ARG H 175 24.749 -12.263 36.424 1.00 0.00 H +ATOM 3213 HD2 ARG H 175 27.003 -11.937 36.500 1.00 0.00 H +ATOM 3214 HD3 ARG H 175 26.848 -13.466 36.236 1.00 0.00 H +ATOM 3215 HE ARG H 175 27.582 -13.096 34.039 1.00 0.00 H +ATOM 3216 HH11 ARG H 175 27.360 -10.500 35.983 1.00 0.00 H +ATOM 3217 HH12 ARG H 175 27.722 -9.433 35.009 1.00 0.00 H +ATOM 3218 HH21 ARG H 175 28.226 -11.455 32.477 1.00 0.00 H +ATOM 3219 HH22 ARG H 175 28.242 -10.019 32.872 1.00 0.00 H +ATOM 3220 N ILE H 176 21.768 -11.477 35.067 1.00 0.00 N +ATOM 3221 CA ILE H 176 21.201 -10.123 34.803 1.00 0.00 C +ATOM 3222 C ILE H 176 22.177 -9.032 35.285 1.00 0.00 C +ATOM 3223 O ILE H 176 22.587 -9.068 36.464 1.00 0.00 O +ATOM 3224 CB ILE H 176 19.800 -10.015 35.493 1.00 0.00 C +ATOM 3225 CG1 ILE H 176 18.969 -11.307 35.148 1.00 0.00 C +ATOM 3226 CG2 ILE H 176 18.885 -8.825 35.111 1.00 0.00 C +ATOM 3227 CD1 ILE H 176 18.826 -11.307 33.576 1.00 0.00 C +ATOM 3228 H ILE H 176 21.481 -11.799 35.811 1.00 0.00 H +ATOM 3229 HA ILE H 176 21.080 -9.989 33.850 1.00 0.00 H +ATOM 3230 HB ILE H 176 20.030 -9.890 36.427 1.00 0.00 H +ATOM 3231 HG12 ILE H 176 19.422 -12.107 35.458 1.00 0.00 H +ATOM 3232 HG13 ILE H 176 18.100 -11.289 35.578 1.00 0.00 H +ATOM 3233 HG21 ILE H 176 18.055 -8.882 35.610 1.00 0.00 H +ATOM 3234 HG22 ILE H 176 19.333 -7.991 35.323 1.00 0.00 H +ATOM 3235 HG23 ILE H 176 18.694 -8.856 34.161 1.00 0.00 H +ATOM 3236 HD11 ILE H 176 18.319 -12.085 33.297 1.00 0.00 H +ATOM 3237 HD12 ILE H 176 18.364 -10.502 33.293 1.00 0.00 H +ATOM 3238 HD13 ILE H 176 19.707 -11.333 33.171 1.00 0.00 H +ATOM 3239 N THR H 177 22.381 -7.953 34.529 1.00 0.00 N +ATOM 3240 CA THR H 177 23.179 -6.785 34.908 1.00 0.00 C +ATOM 3241 C THR H 177 22.366 -5.500 35.073 1.00 0.00 C +ATOM 3242 O THR H 177 21.146 -5.463 34.822 1.00 0.00 O +ATOM 3243 CB THR H 177 24.267 -6.598 33.791 1.00 0.00 C +ATOM 3244 OG1 THR H 177 23.567 -5.909 32.656 1.00 0.00 O +ATOM 3245 CG2 THR H 177 24.828 -7.939 33.350 1.00 0.00 C +ATOM 3246 H THR H 177 22.041 -7.878 33.743 1.00 0.00 H +ATOM 3247 HA THR H 177 23.568 -6.949 35.781 1.00 0.00 H +ATOM 3248 HB THR H 177 25.022 -6.079 34.111 1.00 0.00 H +ATOM 3249 HG1 THR H 177 24.115 -5.428 32.239 1.00 0.00 H +ATOM 3250 HG21 THR H 177 25.497 -7.800 32.661 1.00 0.00 H +ATOM 3251 HG22 THR H 177 25.235 -8.385 34.109 1.00 0.00 H +ATOM 3252 HG23 THR H 177 24.111 -8.490 32.998 1.00 0.00 H +ATOM 3253 N ASP H 178 23.012 -4.452 35.567 1.00 0.00 N +ATOM 3254 CA ASP H 178 22.433 -3.110 35.715 1.00 0.00 C +ATOM 3255 C ASP H 178 22.062 -2.501 34.353 1.00 0.00 C +ATOM 3256 O ASP H 178 21.233 -1.597 34.346 1.00 0.00 O +ATOM 3257 CB ASP H 178 23.350 -2.100 36.453 1.00 0.00 C +ATOM 3258 CG ASP H 178 23.373 -2.505 37.941 1.00 0.00 C +ATOM 3259 OD1 ASP H 178 22.451 -3.228 38.385 1.00 0.00 O +ATOM 3260 OD2 ASP H 178 24.432 -2.249 38.579 1.00 0.00 O +ATOM 3261 H ASP H 178 23.828 -4.498 35.836 1.00 0.00 H +ATOM 3262 HA ASP H 178 21.642 -3.252 36.258 1.00 0.00 H +ATOM 3263 HB2 ASP H 178 24.245 -2.115 36.080 1.00 0.00 H +ATOM 3264 HB3 ASP H 178 23.015 -1.195 36.350 1.00 0.00 H +ATOM 3265 N ASN H 179 22.635 -2.982 33.265 1.00 0.00 N +ATOM 3266 CA ASN H 179 22.276 -2.526 31.906 1.00 0.00 C +ATOM 3267 C ASN H 179 20.978 -3.146 31.410 1.00 0.00 C +ATOM 3268 O ASN H 179 20.753 -2.901 30.220 1.00 0.00 O +ATOM 3269 CB ASN H 179 23.437 -2.785 30.951 1.00 0.00 C +ATOM 3270 CG ASN H 179 24.703 -2.158 31.487 1.00 0.00 C +ATOM 3271 OD1 ASN H 179 24.604 -0.965 31.880 1.00 0.00 O +ATOM 3272 ND2 ASN H 179 25.814 -2.892 31.581 1.00 0.00 N +ATOM 3273 H ASN H 179 23.248 -3.585 33.280 1.00 0.00 H +ATOM 3274 HA ASN H 179 22.113 -1.570 31.941 1.00 0.00 H +ATOM 3275 HB2 ASN H 179 23.564 -3.740 30.837 1.00 0.00 H +ATOM 3276 HB3 ASN H 179 23.233 -2.420 30.076 1.00 0.00 H +ATOM 3277 HD21 ASN H 179 26.524 -2.554 31.928 1.00 0.00 H +ATOM 3278 HD22 ASN H 179 25.819 -3.703 31.294 1.00 0.00 H +ATOM 3279 N MET H 180 20.175 -3.817 32.185 1.00 0.00 N +ATOM 3280 CA MET H 180 18.929 -4.434 31.754 1.00 0.00 C +ATOM 3281 C MET H 180 17.779 -4.185 32.727 1.00 0.00 C +ATOM 3282 O MET H 180 18.114 -3.834 33.869 1.00 0.00 O +ATOM 3283 CB MET H 180 19.008 -5.999 31.658 1.00 0.00 C +ATOM 3284 CG MET H 180 20.172 -6.540 30.936 1.00 0.00 C +ATOM 3285 SD MET H 180 20.259 -8.392 31.270 1.00 0.00 S +ATOM 3286 CE MET H 180 21.850 -8.629 30.426 1.00 0.00 C +ATOM 3287 H MET H 180 20.338 -3.939 33.021 1.00 0.00 H +ATOM 3288 HA MET H 180 18.777 -4.027 30.887 1.00 0.00 H +ATOM 3289 HB2 MET H 180 19.010 -6.361 32.558 1.00 0.00 H +ATOM 3290 HB3 MET H 180 18.202 -6.320 31.224 1.00 0.00 H +ATOM 3291 HG2 MET H 180 20.089 -6.371 29.984 1.00 0.00 H +ATOM 3292 HG3 MET H 180 20.987 -6.104 31.231 1.00 0.00 H +ATOM 3293 HE1 MET H 180 22.107 -9.563 30.475 1.00 0.00 H +ATOM 3294 HE2 MET H 180 21.766 -8.366 29.496 1.00 0.00 H +ATOM 3295 HE3 MET H 180 22.529 -8.085 30.855 1.00 0.00 H +ATOM 3296 N PHE H 181 16.551 -4.340 32.298 1.00 0.00 N +ATOM 3297 CA PHE H 181 15.370 -4.279 33.145 1.00 0.00 C +ATOM 3298 C PHE H 181 14.408 -5.344 32.539 1.00 0.00 C +ATOM 3299 O PHE H 181 14.657 -5.676 31.373 1.00 0.00 O +ATOM 3300 CB PHE H 181 14.751 -2.916 33.438 1.00 0.00 C +ATOM 3301 CG PHE H 181 14.102 -2.183 32.293 1.00 0.00 C +ATOM 3302 CD1 PHE H 181 12.764 -2.431 31.973 1.00 0.00 C +ATOM 3303 CD2 PHE H 181 14.835 -1.296 31.500 1.00 0.00 C +ATOM 3304 CE1 PHE H 181 12.162 -1.841 30.861 1.00 0.00 C +ATOM 3305 CE2 PHE H 181 14.268 -0.657 30.405 1.00 0.00 C +ATOM 3306 CZ PHE H 181 12.948 -0.930 30.098 1.00 0.00 C +ATOM 3307 H PHE H 181 16.366 -4.490 31.472 1.00 0.00 H +ATOM 3308 HA PHE H 181 15.619 -4.477 34.062 1.00 0.00 H +ATOM 3309 HB2 PHE H 181 14.085 -3.034 34.133 1.00 0.00 H +ATOM 3310 HB3 PHE H 181 15.445 -2.345 33.803 1.00 0.00 H +ATOM 3311 HD1 PHE H 181 12.265 -3.001 32.512 1.00 0.00 H +ATOM 3312 HD2 PHE H 181 15.725 -1.129 31.711 1.00 0.00 H +ATOM 3313 HE1 PHE H 181 11.283 -2.035 30.627 1.00 0.00 H +ATOM 3314 HE2 PHE H 181 14.764 -0.061 29.891 1.00 0.00 H +ATOM 3315 HZ PHE H 181 12.560 -0.504 29.368 1.00 0.00 H +ATOM 3316 N CYS H 182 13.478 -5.893 33.283 1.00 0.00 N +ATOM 3317 CA CYS H 182 12.515 -6.878 32.747 1.00 0.00 C +ATOM 3318 C CYS H 182 11.110 -6.340 32.934 1.00 0.00 C +ATOM 3319 O CYS H 182 10.874 -5.479 33.850 1.00 0.00 O +ATOM 3320 CB CYS H 182 12.716 -8.294 33.325 1.00 0.00 C +ATOM 3321 SG CYS H 182 11.775 -8.732 34.825 1.00 0.00 S +ATOM 3322 H CYS H 182 13.371 -5.717 34.118 1.00 0.00 H +ATOM 3323 HA CYS H 182 12.675 -6.992 31.797 1.00 0.00 H +ATOM 3324 HB2 CYS H 182 12.491 -8.935 32.633 1.00 0.00 H +ATOM 3325 HB3 CYS H 182 13.660 -8.407 33.520 1.00 0.00 H +ATOM 3326 N ALA H 183 10.195 -6.748 32.025 1.00 0.00 N +ATOM 3327 CA ALA H 183 8.793 -6.281 32.105 1.00 0.00 C +ATOM 3328 C ALA H 183 7.809 -7.394 31.725 1.00 0.00 C +ATOM 3329 O ALA H 183 8.127 -8.251 30.905 1.00 0.00 O +ATOM 3330 CB ALA H 183 8.634 -5.063 31.137 1.00 0.00 C +ATOM 3331 H ALA H 183 10.362 -7.281 31.371 1.00 0.00 H +ATOM 3332 HA ALA H 183 8.591 -6.021 33.017 1.00 0.00 H +ATOM 3333 HB1 ALA H 183 7.721 -4.739 31.172 1.00 0.00 H +ATOM 3334 HB2 ALA H 183 9.239 -4.354 31.406 1.00 0.00 H +ATOM 3335 HB3 ALA H 183 8.844 -5.340 30.231 1.00 0.00 H +ATOM 3336 N GLY H 184 6.580 -7.350 32.206 1.00 0.00 N +ATOM 3337 CA GLY H 184 5.536 -8.338 31.962 1.00 0.00 C +ATOM 3338 C GLY H 184 4.673 -8.513 33.183 1.00 0.00 C +ATOM 3339 O GLY H 184 4.989 -8.067 34.308 1.00 0.00 O +ATOM 3340 H GLY H 184 6.314 -6.708 32.713 1.00 0.00 H +ATOM 3341 HA2 GLY H 184 4.989 -8.059 31.211 1.00 0.00 H +ATOM 3342 HA3 GLY H 184 5.938 -9.187 31.720 1.00 0.00 H +ATOM 3343 N TYR H 184A 3.503 -9.106 32.964 1.00 0.00 N +ATOM 3344 CA TYR H 184A 2.608 -9.413 34.120 1.00 0.00 C +ATOM 3345 C TYR H 184A 3.096 -10.716 34.813 1.00 0.00 C +ATOM 3346 O TYR H 184A 3.900 -11.502 34.233 1.00 0.00 O +ATOM 3347 CB TYR H 184A 1.206 -9.616 33.551 1.00 0.00 C +ATOM 3348 CG TYR H 184A 0.628 -8.364 32.940 1.00 0.00 C +ATOM 3349 CD1 TYR H 184A 0.055 -7.437 33.827 1.00 0.00 C +ATOM 3350 CD2 TYR H 184A 0.691 -8.066 31.560 1.00 0.00 C +ATOM 3351 CE1 TYR H 184A -0.468 -6.222 33.370 1.00 0.00 C +ATOM 3352 CE2 TYR H 184A 0.093 -6.896 31.095 1.00 0.00 C +ATOM 3353 CZ TYR H 184A -0.463 -5.992 32.009 1.00 0.00 C +ATOM 3354 OH TYR H 184A -0.997 -4.789 31.612 1.00 0.00 O +ATOM 3355 H TYR H 184A 3.203 -9.337 32.192 1.00 0.00 H +ATOM 3356 HA TYR H 184A 2.613 -8.697 34.775 1.00 0.00 H +ATOM 3357 HB2 TYR H 184A 1.234 -10.314 32.878 1.00 0.00 H +ATOM 3358 HB3 TYR H 184A 0.618 -9.926 34.257 1.00 0.00 H +ATOM 3359 HD1 TYR H 184A 0.023 -7.635 34.735 1.00 0.00 H +ATOM 3360 HD2 TYR H 184A 1.124 -8.641 30.972 1.00 0.00 H +ATOM 3361 HE1 TYR H 184A -0.807 -5.591 33.963 1.00 0.00 H +ATOM 3362 HE2 TYR H 184A 0.063 -6.717 30.183 1.00 0.00 H +ATOM 3363 HH TYR H 184A -1.015 -4.261 32.265 1.00 0.00 H +ATOM 3364 N LYS H 185 2.654 -10.888 36.019 1.00 0.00 N +ATOM 3365 CA LYS H 185 2.802 -12.079 36.850 1.00 0.00 C +ATOM 3366 C LYS H 185 1.695 -13.102 36.427 1.00 0.00 C +ATOM 3367 O LYS H 185 0.626 -12.677 35.926 1.00 0.00 O +ATOM 3368 CB LYS H 185 2.566 -11.748 38.320 1.00 0.00 C +ATOM 3369 CG LYS H 185 3.432 -10.600 38.790 1.00 0.00 C +ATOM 3370 CD LYS H 185 4.878 -10.793 38.475 1.00 0.00 C +ATOM 3371 CE LYS H 185 5.731 -9.833 39.314 1.00 0.00 C +ATOM 3372 NZ LYS H 185 4.819 -9.229 40.315 1.00 0.00 N +ATOM 3373 H LYS H 185 2.219 -10.267 36.425 1.00 0.00 H +ATOM 3374 HA LYS H 185 3.698 -12.432 36.734 1.00 0.00 H +ATOM 3375 HB2 LYS H 185 1.632 -11.523 38.454 1.00 0.00 H +ATOM 3376 HB3 LYS H 185 2.749 -12.532 38.861 1.00 0.00 H +ATOM 3377 HG2 LYS H 185 3.123 -9.778 38.377 1.00 0.00 H +ATOM 3378 HG3 LYS H 185 3.326 -10.493 39.748 1.00 0.00 H +ATOM 3379 HD2 LYS H 185 5.137 -11.710 38.657 1.00 0.00 H +ATOM 3380 HD3 LYS H 185 5.035 -10.636 37.531 1.00 0.00 H +ATOM 3381 HE2 LYS H 185 6.457 -10.306 39.749 1.00 0.00 H +ATOM 3382 HE3 LYS H 185 6.133 -9.149 38.755 1.00 0.00 H +ATOM 3383 HZ1 LYS H 185 5.261 -8.619 40.789 1.00 0.00 H +ATOM 3384 HZ2 LYS H 185 4.135 -8.842 39.898 1.00 0.00 H +ATOM 3385 HZ3 LYS H 185 4.514 -9.863 40.860 1.00 0.00 H +ATOM 3386 N PRO H 186 2.002 -14.389 36.628 1.00 0.00 N +ATOM 3387 CA PRO H 186 1.090 -15.502 36.256 1.00 0.00 C +ATOM 3388 C PRO H 186 -0.284 -15.295 36.892 1.00 0.00 C +ATOM 3389 O PRO H 186 -1.396 -15.522 36.410 1.00 0.00 O +ATOM 3390 CB PRO H 186 1.783 -16.786 36.667 1.00 0.00 C +ATOM 3391 CG PRO H 186 3.079 -16.390 37.290 1.00 0.00 C +ATOM 3392 CD PRO H 186 3.223 -14.901 37.256 1.00 0.00 C +ATOM 3393 HA PRO H 186 0.915 -15.540 35.303 1.00 0.00 H +ATOM 3394 HB2 PRO H 186 1.238 -17.287 37.294 1.00 0.00 H +ATOM 3395 HB3 PRO H 186 1.931 -17.359 35.899 1.00 0.00 H +ATOM 3396 HG2 PRO H 186 3.117 -16.706 38.206 1.00 0.00 H +ATOM 3397 HG3 PRO H 186 3.816 -16.806 36.816 1.00 0.00 H +ATOM 3398 HD2 PRO H 186 3.329 -14.542 38.151 1.00 0.00 H +ATOM 3399 HD3 PRO H 186 4.009 -14.640 36.751 1.00 0.00 H +ATOM 3400 N ASP H 186A -0.198 -14.660 38.007 1.00 0.00 N +ATOM 3401 CA ASP H 186A -1.110 -14.144 38.956 1.00 0.00 C +ATOM 3402 C ASP H 186A -2.028 -13.076 38.360 1.00 0.00 C +ATOM 3403 O ASP H 186A -3.248 -13.183 38.372 1.00 0.00 O +ATOM 3404 CB ASP H 186A -0.107 -13.392 39.922 1.00 0.00 C +ATOM 3405 CG ASP H 186A -0.806 -13.164 41.236 1.00 0.00 C +ATOM 3406 OD1 ASP H 186A -0.903 -14.217 41.925 1.00 0.00 O +ATOM 3407 OD2 ASP H 186A -1.249 -12.030 41.475 1.00 0.00 O +ATOM 3408 H ASP H 186A 0.595 -14.482 38.287 1.00 0.00 H +ATOM 3409 HA ASP H 186A -1.683 -14.827 39.337 1.00 0.00 H +ATOM 3410 HB2 ASP H 186A 0.697 -13.919 40.053 1.00 0.00 H +ATOM 3411 HB3 ASP H 186A 0.168 -12.547 39.533 1.00 0.00 H +ATOM 3412 N GLU H 186B -1.360 -12.028 37.854 1.00 0.00 N +ATOM 3413 CA GLU H 186B -2.062 -10.823 37.404 1.00 0.00 C +ATOM 3414 C GLU H 186B -3.104 -11.065 36.370 1.00 0.00 C +ATOM 3415 O GLU H 186B -3.993 -10.200 36.131 1.00 0.00 O +ATOM 3416 CB GLU H 186B -1.099 -9.718 37.001 1.00 0.00 C +ATOM 3417 CG GLU H 186B -0.108 -9.381 38.113 1.00 0.00 C +ATOM 3418 CD GLU H 186B 0.975 -8.420 37.745 1.00 0.00 C +ATOM 3419 OE1 GLU H 186B 1.649 -8.798 36.771 1.00 0.00 O +ATOM 3420 OE2 GLU H 186B 1.217 -7.407 38.382 1.00 0.00 O +ATOM 3421 H GLU H 186B -0.505 -11.998 37.765 1.00 0.00 H +ATOM 3422 HA GLU H 186B -2.553 -10.516 38.182 1.00 0.00 H +ATOM 3423 HB2 GLU H 186B -0.612 -9.990 36.207 1.00 0.00 H +ATOM 3424 HB3 GLU H 186B -1.602 -8.923 36.767 1.00 0.00 H +ATOM 3425 HG2 GLU H 186B -0.601 -9.015 38.864 1.00 0.00 H +ATOM 3426 HG3 GLU H 186B 0.303 -10.205 38.418 1.00 0.00 H +ATOM 3427 N GLY H 186C -3.073 -12.268 35.789 1.00 0.00 N +ATOM 3428 CA GLY H 186C -4.144 -12.559 34.827 1.00 0.00 C +ATOM 3429 C GLY H 186C -4.372 -11.562 33.712 1.00 0.00 C +ATOM 3430 O GLY H 186C -5.563 -11.341 33.306 1.00 0.00 O +ATOM 3431 H GLY H 186C -2.491 -12.887 35.921 1.00 0.00 H +ATOM 3432 HA2 GLY H 186C -3.958 -13.421 34.424 1.00 0.00 H +ATOM 3433 HA3 GLY H 186C -4.974 -12.650 35.321 1.00 0.00 H +ATOM 3434 N LYS H 186D -3.322 -10.883 33.256 1.00 0.00 N +ATOM 3435 CA LYS H 186D -3.338 -10.103 31.986 1.00 0.00 C +ATOM 3436 C LYS H 186D -2.059 -10.666 31.341 1.00 0.00 C +ATOM 3437 O LYS H 186D -1.217 -11.161 32.147 1.00 0.00 O +ATOM 3438 CB LYS H 186D -3.520 -8.629 32.168 1.00 0.00 C +ATOM 3439 H LYS H 186D -2.568 -10.853 33.668 1.00 0.00 H +ATOM 3440 HA LYS H 186D -4.102 -10.205 31.397 1.00 0.00 H +ATOM 3441 N ARG H 187 -1.886 -10.810 30.080 1.00 0.00 N +ATOM 3442 CA ARG H 187 -0.718 -11.339 29.375 1.00 0.00 C +ATOM 3443 C ARG H 187 -0.106 -10.363 28.358 1.00 0.00 C +ATOM 3444 O ARG H 187 -0.562 -9.219 28.181 1.00 0.00 O +ATOM 3445 CB ARG H 187 -1.229 -12.571 28.556 1.00 0.00 C +ATOM 3446 CG ARG H 187 -1.771 -13.698 29.419 1.00 0.00 C +ATOM 3447 CD ARG H 187 -2.013 -14.937 28.591 1.00 0.00 C +ATOM 3448 NE ARG H 187 -0.665 -15.535 28.313 1.00 0.00 N +ATOM 3449 CZ ARG H 187 -0.090 -16.258 29.335 1.00 0.00 C +ATOM 3450 NH1 ARG H 187 -0.739 -16.310 30.502 1.00 0.00 N +ATOM 3451 NH2 ARG H 187 1.111 -16.791 29.155 1.00 0.00 N +ATOM 3452 H ARG H 187 -2.504 -10.582 29.527 1.00 0.00 H +ATOM 3453 HA ARG H 187 -0.036 -11.536 30.036 1.00 0.00 H +ATOM 3454 HB2 ARG H 187 -1.925 -12.278 27.947 1.00 0.00 H +ATOM 3455 HB3 ARG H 187 -0.501 -12.912 28.013 1.00 0.00 H +ATOM 3456 HG2 ARG H 187 -1.143 -13.897 30.131 1.00 0.00 H +ATOM 3457 HG3 ARG H 187 -2.599 -13.419 29.841 1.00 0.00 H +ATOM 3458 HD2 ARG H 187 -2.578 -15.566 29.067 1.00 0.00 H +ATOM 3459 HD3 ARG H 187 -2.470 -14.716 27.764 1.00 0.00 H +ATOM 3460 HE ARG H 187 -0.272 -15.432 27.555 1.00 0.00 H +ATOM 3461 HH11 ARG H 187 -1.489 -15.900 30.595 1.00 0.00 H +ATOM 3462 HH12 ARG H 187 -0.406 -16.753 31.160 1.00 0.00 H +ATOM 3463 HH21 ARG H 187 1.521 -16.683 28.407 1.00 0.00 H +ATOM 3464 HH22 ARG H 187 1.479 -17.244 29.786 1.00 0.00 H +ATOM 3465 N GLY H 188 0.898 -10.767 27.633 1.00 0.00 N +ATOM 3466 CA GLY H 188 1.516 -10.087 26.498 1.00 0.00 C +ATOM 3467 C GLY H 188 3.013 -10.071 26.615 1.00 0.00 C +ATOM 3468 O GLY H 188 3.483 -10.040 27.760 1.00 0.00 O +ATOM 3469 H GLY H 188 1.283 -11.518 27.797 1.00 0.00 H +ATOM 3470 HA2 GLY H 188 1.259 -10.531 25.675 1.00 0.00 H +ATOM 3471 HA3 GLY H 188 1.185 -9.177 26.445 1.00 0.00 H +ATOM 3472 N ASP H 189 3.740 -9.948 25.559 1.00 0.00 N +ATOM 3473 CA ASP H 189 5.223 -9.976 25.533 1.00 0.00 C +ATOM 3474 C ASP H 189 5.642 -9.646 24.093 1.00 0.00 C +ATOM 3475 O ASP H 189 4.831 -9.614 23.144 1.00 0.00 O +ATOM 3476 CB ASP H 189 5.601 -11.429 25.980 1.00 0.00 C +ATOM 3477 CG ASP H 189 7.059 -11.737 26.172 1.00 0.00 C +ATOM 3478 OD1 ASP H 189 7.771 -10.724 26.488 1.00 0.00 O +ATOM 3479 OD2 ASP H 189 7.599 -12.914 26.133 1.00 0.00 O +ATOM 3480 H ASP H 189 3.397 -9.838 24.778 1.00 0.00 H +ATOM 3481 HA ASP H 189 5.668 -9.340 26.115 1.00 0.00 H +ATOM 3482 HB2 ASP H 189 5.143 -11.614 26.815 1.00 0.00 H +ATOM 3483 HB3 ASP H 189 5.249 -12.047 25.320 1.00 0.00 H +ATOM 3484 N ALA H 190 6.919 -9.434 23.872 1.00 0.00 N +ATOM 3485 CA ALA H 190 7.614 -9.267 22.630 1.00 0.00 C +ATOM 3486 C ALA H 190 7.812 -10.731 22.095 1.00 0.00 C +ATOM 3487 O ALA H 190 7.752 -11.642 22.921 1.00 0.00 O +ATOM 3488 CB ALA H 190 8.986 -8.612 22.778 1.00 0.00 C +ATOM 3489 H ALA H 190 7.465 -9.378 24.534 1.00 0.00 H +ATOM 3490 HA ALA H 190 7.107 -8.684 22.044 1.00 0.00 H +ATOM 3491 HB1 ALA H 190 9.401 -8.529 21.905 1.00 0.00 H +ATOM 3492 HB2 ALA H 190 8.884 -7.732 23.172 1.00 0.00 H +ATOM 3493 HB3 ALA H 190 9.546 -9.159 23.351 1.00 0.00 H +ATOM 3494 N CYS H 191 8.119 -10.886 20.834 1.00 0.00 N +ATOM 3495 CA CYS H 191 8.304 -12.270 20.291 1.00 0.00 C +ATOM 3496 C CYS H 191 9.201 -12.112 19.100 1.00 0.00 C +ATOM 3497 O CYS H 191 9.547 -10.938 18.759 1.00 0.00 O +ATOM 3498 CB CYS H 191 7.037 -13.036 20.137 1.00 0.00 C +ATOM 3499 SG CYS H 191 7.255 -14.870 19.945 1.00 0.00 S +ATOM 3500 H CYS H 191 8.228 -10.248 20.268 1.00 0.00 H +ATOM 3501 HA CYS H 191 8.743 -12.870 20.915 1.00 0.00 H +ATOM 3502 HB2 CYS H 191 6.477 -12.869 20.911 1.00 0.00 H +ATOM 3503 HB3 CYS H 191 6.561 -12.697 19.363 1.00 0.00 H +ATOM 3504 N GLU H 192 9.686 -13.201 18.557 1.00 0.00 N +ATOM 3505 CA GLU H 192 10.825 -13.149 17.579 1.00 0.00 C +ATOM 3506 C GLU H 192 10.446 -12.264 16.440 1.00 0.00 C +ATOM 3507 O GLU H 192 9.278 -12.361 15.982 1.00 0.00 O +ATOM 3508 CB GLU H 192 11.329 -14.568 17.288 1.00 0.00 C +ATOM 3509 CG GLU H 192 12.087 -15.389 18.356 1.00 0.00 C +ATOM 3510 CD GLU H 192 11.502 -15.927 19.605 1.00 0.00 C +ATOM 3511 OE1 GLU H 192 10.277 -15.955 19.930 1.00 0.00 O +ATOM 3512 OE2 GLU H 192 12.298 -16.345 20.546 1.00 0.00 O +ATOM 3513 H GLU H 192 9.392 -13.993 18.721 1.00 0.00 H +ATOM 3514 HA GLU H 192 11.622 -12.722 17.931 1.00 0.00 H +ATOM 3515 HB2 GLU H 192 10.557 -15.093 17.024 1.00 0.00 H +ATOM 3516 HB3 GLU H 192 11.910 -14.508 16.513 1.00 0.00 H +ATOM 3517 HG2 GLU H 192 12.457 -16.154 17.887 1.00 0.00 H +ATOM 3518 HG3 GLU H 192 12.835 -14.836 18.632 1.00 0.00 H +ATOM 3519 N GLY H 193 11.327 -11.359 16.037 1.00 0.00 N +ATOM 3520 CA GLY H 193 11.094 -10.335 14.997 1.00 0.00 C +ATOM 3521 C GLY H 193 10.875 -8.940 15.596 1.00 0.00 C +ATOM 3522 O GLY H 193 10.968 -7.962 14.835 1.00 0.00 O +ATOM 3523 H GLY H 193 12.118 -11.314 16.372 1.00 0.00 H +ATOM 3524 HA2 GLY H 193 11.853 -10.311 14.394 1.00 0.00 H +ATOM 3525 HA3 GLY H 193 10.320 -10.584 14.469 1.00 0.00 H +ATOM 3526 N ASP H 194 10.520 -8.836 16.874 1.00 0.00 N +ATOM 3527 CA ASP H 194 10.370 -7.616 17.642 1.00 0.00 C +ATOM 3528 C ASP H 194 11.699 -6.994 18.098 1.00 0.00 C +ATOM 3529 O ASP H 194 11.724 -5.795 18.449 1.00 0.00 O +ATOM 3530 CB ASP H 194 9.535 -7.836 18.907 1.00 0.00 C +ATOM 3531 CG ASP H 194 8.094 -8.104 18.515 1.00 0.00 C +ATOM 3532 OD1 ASP H 194 7.735 -7.531 17.461 1.00 0.00 O +ATOM 3533 OD2 ASP H 194 7.349 -8.655 19.364 1.00 0.00 O +ATOM 3534 H ASP H 194 10.349 -9.534 17.346 1.00 0.00 H +ATOM 3535 HA ASP H 194 9.929 -7.011 17.025 1.00 0.00 H +ATOM 3536 HB2 ASP H 194 9.888 -8.584 19.414 1.00 0.00 H +ATOM 3537 HB3 ASP H 194 9.585 -7.055 19.480 1.00 0.00 H +ATOM 3538 N SER H 195 12.750 -7.780 18.300 1.00 0.00 N +ATOM 3539 CA SER H 195 14.063 -7.313 18.714 1.00 0.00 C +ATOM 3540 C SER H 195 14.454 -5.959 18.135 1.00 0.00 C +ATOM 3541 O SER H 195 14.148 -5.741 16.993 1.00 0.00 O +ATOM 3542 CB SER H 195 15.156 -8.278 18.146 1.00 0.00 C +ATOM 3543 OG SER H 195 15.268 -9.372 19.002 1.00 0.00 O +ATOM 3544 H SER H 195 12.715 -8.633 18.195 1.00 0.00 H +ATOM 3545 HA SER H 195 14.014 -7.267 19.682 1.00 0.00 H +ATOM 3546 HB2 SER H 195 14.915 -8.572 17.253 1.00 0.00 H +ATOM 3547 HB3 SER H 195 16.007 -7.818 18.074 1.00 0.00 H +ATOM 3548 HG SER H 195 15.539 -10.040 18.570 1.00 0.00 H +ATOM 3549 N GLY H 196 15.190 -5.189 18.882 1.00 0.00 N +ATOM 3550 CA GLY H 196 15.686 -3.867 18.494 1.00 0.00 C +ATOM 3551 C GLY H 196 14.618 -2.778 18.514 1.00 0.00 C +ATOM 3552 O GLY H 196 14.977 -1.601 18.369 1.00 0.00 O +ATOM 3553 H GLY H 196 15.437 -5.418 19.673 1.00 0.00 H +ATOM 3554 HA2 GLY H 196 16.406 -3.613 19.092 1.00 0.00 H +ATOM 3555 HA3 GLY H 196 16.064 -3.922 17.602 1.00 0.00 H +ATOM 3556 N GLY H 197 13.374 -3.101 18.729 1.00 0.00 N +ATOM 3557 CA GLY H 197 12.321 -2.118 18.896 1.00 0.00 C +ATOM 3558 C GLY H 197 12.402 -1.396 20.239 1.00 0.00 C +ATOM 3559 O GLY H 197 12.934 -1.854 21.266 1.00 0.00 O +ATOM 3560 H GLY H 197 13.101 -3.915 18.785 1.00 0.00 H +ATOM 3561 HA2 GLY H 197 12.374 -1.467 18.179 1.00 0.00 H +ATOM 3562 HA3 GLY H 197 11.459 -2.556 18.819 1.00 0.00 H +ATOM 3563 N PRO H 198 11.501 -0.354 20.346 1.00 0.00 N +ATOM 3564 CA PRO H 198 11.364 0.485 21.484 1.00 0.00 C +ATOM 3565 C PRO H 198 10.411 0.085 22.603 1.00 0.00 C +ATOM 3566 O PRO H 198 9.292 -0.296 22.254 1.00 0.00 O +ATOM 3567 CB PRO H 198 10.615 1.777 20.928 1.00 0.00 C +ATOM 3568 CG PRO H 198 10.199 1.513 19.528 1.00 0.00 C +ATOM 3569 CD PRO H 198 10.832 0.186 19.104 1.00 0.00 C +ATOM 3570 HA PRO H 198 12.259 0.523 21.856 1.00 0.00 H +ATOM 3571 HB2 PRO H 198 9.842 1.981 21.477 1.00 0.00 H +ATOM 3572 HB3 PRO H 198 11.201 2.549 20.966 1.00 0.00 H +ATOM 3573 HG2 PRO H 198 9.232 1.467 19.462 1.00 0.00 H +ATOM 3574 HG3 PRO H 198 10.489 2.231 18.944 1.00 0.00 H +ATOM 3575 HD2 PRO H 198 10.161 -0.431 18.772 1.00 0.00 H +ATOM 3576 HD3 PRO H 198 11.475 0.318 18.390 1.00 0.00 H +ATOM 3577 N PHE H 199 10.795 0.316 23.862 1.00 0.00 N +ATOM 3578 CA PHE H 199 9.924 0.238 25.063 1.00 0.00 C +ATOM 3579 C PHE H 199 9.729 1.770 25.466 1.00 0.00 C +ATOM 3580 O PHE H 199 10.731 2.445 25.666 1.00 0.00 O +ATOM 3581 CB PHE H 199 10.593 -0.575 26.184 1.00 0.00 C +ATOM 3582 CG PHE H 199 9.839 -0.608 27.472 1.00 0.00 C +ATOM 3583 CD1 PHE H 199 9.886 0.472 28.348 1.00 0.00 C +ATOM 3584 CD2 PHE H 199 8.943 -1.638 27.732 1.00 0.00 C +ATOM 3585 CE1 PHE H 199 9.169 0.490 29.578 1.00 0.00 C +ATOM 3586 CE2 PHE H 199 8.245 -1.713 28.925 1.00 0.00 C +ATOM 3587 CZ PHE H 199 8.298 -0.615 29.830 1.00 0.00 C +ATOM 3588 H PHE H 199 11.604 0.533 24.057 1.00 0.00 H +ATOM 3589 HA PHE H 199 9.082 -0.215 24.901 1.00 0.00 H +ATOM 3590 HB2 PHE H 199 10.719 -1.486 25.874 1.00 0.00 H +ATOM 3591 HB3 PHE H 199 11.475 -0.207 26.350 1.00 0.00 H +ATOM 3592 HD1 PHE H 199 10.405 1.210 28.122 1.00 0.00 H +ATOM 3593 HD2 PHE H 199 8.809 -2.295 27.087 1.00 0.00 H +ATOM 3594 HE1 PHE H 199 9.263 1.186 30.187 1.00 0.00 H +ATOM 3595 HE2 PHE H 199 7.748 -2.471 29.133 1.00 0.00 H +ATOM 3596 HZ PHE H 199 7.762 -0.617 30.590 1.00 0.00 H +ATOM 3597 N VAL H 200 8.526 2.324 25.349 1.00 0.00 N +ATOM 3598 CA VAL H 200 8.377 3.787 25.612 1.00 0.00 C +ATOM 3599 C VAL H 200 7.440 4.050 26.755 1.00 0.00 C +ATOM 3600 O VAL H 200 6.548 3.273 27.087 1.00 0.00 O +ATOM 3601 CB VAL H 200 8.069 4.623 24.333 1.00 0.00 C +ATOM 3602 CG1 VAL H 200 9.109 4.539 23.232 1.00 0.00 C +ATOM 3603 CG2 VAL H 200 6.663 4.307 23.775 1.00 0.00 C +ATOM 3604 H VAL H 200 7.805 1.909 25.130 1.00 0.00 H +ATOM 3605 HA VAL H 200 9.247 4.110 25.895 1.00 0.00 H +ATOM 3606 HB VAL H 200 8.100 5.542 24.641 1.00 0.00 H +ATOM 3607 HG11 VAL H 200 8.832 5.089 22.482 1.00 0.00 H +ATOM 3608 HG12 VAL H 200 9.962 4.857 23.567 1.00 0.00 H +ATOM 3609 HG13 VAL H 200 9.199 3.618 22.941 1.00 0.00 H +ATOM 3610 HG21 VAL H 200 6.502 4.841 22.982 1.00 0.00 H +ATOM 3611 HG22 VAL H 200 6.609 3.366 23.547 1.00 0.00 H +ATOM 3612 HG23 VAL H 200 5.994 4.515 24.446 1.00 0.00 H +ATOM 3613 N MET H 201 7.634 5.221 27.368 1.00 0.00 N +ATOM 3614 CA MET H 201 6.770 5.753 28.386 1.00 0.00 C +ATOM 3615 C MET H 201 6.413 7.261 28.018 1.00 0.00 C +ATOM 3616 O MET H 201 7.205 7.931 27.395 1.00 0.00 O +ATOM 3617 CB MET H 201 7.370 5.643 29.823 1.00 0.00 C +ATOM 3618 CG MET H 201 7.724 4.212 30.140 1.00 0.00 C +ATOM 3619 SD MET H 201 8.587 3.995 31.713 1.00 0.00 S +ATOM 3620 CE MET H 201 7.260 3.907 32.902 1.00 0.00 C +ATOM 3621 H MET H 201 8.299 5.735 27.186 1.00 0.00 H +ATOM 3622 HA MET H 201 5.962 5.216 28.406 1.00 0.00 H +ATOM 3623 HB2 MET H 201 8.161 6.200 29.893 1.00 0.00 H +ATOM 3624 HB3 MET H 201 6.731 5.975 30.473 1.00 0.00 H +ATOM 3625 HG2 MET H 201 6.911 3.683 30.153 1.00 0.00 H +ATOM 3626 HG3 MET H 201 8.279 3.861 29.426 1.00 0.00 H +ATOM 3627 HE1 MET H 201 7.629 3.789 33.791 1.00 0.00 H +ATOM 3628 HE2 MET H 201 6.744 4.728 32.873 1.00 0.00 H +ATOM 3629 HE3 MET H 201 6.684 3.156 32.689 1.00 0.00 H +ATOM 3630 N LYS H 202 5.226 7.611 28.517 1.00 0.00 N +ATOM 3631 CA LYS H 202 4.690 8.982 28.334 1.00 0.00 C +ATOM 3632 C LYS H 202 4.828 9.830 29.623 1.00 0.00 C +ATOM 3633 O LYS H 202 4.236 9.437 30.679 1.00 0.00 O +ATOM 3634 CB LYS H 202 3.238 9.006 27.891 1.00 0.00 C +ATOM 3635 CG LYS H 202 2.632 10.412 27.788 1.00 0.00 C +ATOM 3636 CD LYS H 202 1.674 10.620 26.660 1.00 0.00 C +ATOM 3637 CE LYS H 202 0.851 11.905 26.826 1.00 0.00 C +ATOM 3638 NZ LYS H 202 0.036 12.175 25.595 1.00 0.00 N +ATOM 3639 H LYS H 202 4.714 7.082 28.961 1.00 0.00 H +ATOM 3640 HA LYS H 202 5.230 9.367 27.626 1.00 0.00 H +ATOM 3641 HB2 LYS H 202 3.167 8.571 27.027 1.00 0.00 H +ATOM 3642 HB3 LYS H 202 2.712 8.483 28.516 1.00 0.00 H +ATOM 3643 HG2 LYS H 202 2.175 10.612 28.620 1.00 0.00 H +ATOM 3644 HG3 LYS H 202 3.355 11.053 27.700 1.00 0.00 H +ATOM 3645 HD2 LYS H 202 2.165 10.658 25.824 1.00 0.00 H +ATOM 3646 HD3 LYS H 202 1.075 9.859 26.603 1.00 0.00 H +ATOM 3647 HE2 LYS H 202 0.266 11.823 27.595 1.00 0.00 H +ATOM 3648 HE3 LYS H 202 1.443 12.654 26.998 1.00 0.00 H +ATOM 3649 HZ1 LYS H 202 0.021 13.050 25.435 1.00 0.00 H +ATOM 3650 HZ2 LYS H 202 0.398 11.753 24.900 1.00 0.00 H +ATOM 3651 HZ3 LYS H 202 -0.795 11.882 25.719 1.00 0.00 H +ATOM 3652 N SER H 203 5.772 10.742 29.657 1.00 0.00 N +ATOM 3653 CA SER H 203 5.946 11.591 30.875 1.00 0.00 C +ATOM 3654 C SER H 203 4.672 12.313 31.285 1.00 0.00 C +ATOM 3655 O SER H 203 4.024 13.040 30.495 1.00 0.00 O +ATOM 3656 CB SER H 203 7.083 12.592 30.600 1.00 0.00 C +ATOM 3657 OG SER H 203 7.040 13.611 31.640 1.00 0.00 O +ATOM 3658 H SER H 203 6.323 10.903 29.016 1.00 0.00 H +ATOM 3659 HA SER H 203 6.169 11.015 31.623 1.00 0.00 H +ATOM 3660 HB2 SER H 203 7.941 12.140 30.602 1.00 0.00 H +ATOM 3661 HB3 SER H 203 6.977 12.995 29.724 1.00 0.00 H +ATOM 3662 HG SER H 203 7.043 13.242 32.395 1.00 0.00 H +ATOM 3663 N PRO H 204 4.310 12.182 32.577 1.00 0.00 N +ATOM 3664 CA PRO H 204 3.133 12.882 33.138 1.00 0.00 C +ATOM 3665 C PRO H 204 3.422 14.412 33.408 1.00 0.00 C +ATOM 3666 O PRO H 204 2.458 15.179 33.672 1.00 0.00 O +ATOM 3667 CB PRO H 204 2.833 12.168 34.445 1.00 0.00 C +ATOM 3668 CG PRO H 204 3.997 11.305 34.729 1.00 0.00 C +ATOM 3669 CD PRO H 204 4.926 11.251 33.561 1.00 0.00 C +ATOM 3670 HA PRO H 204 2.389 12.858 32.516 1.00 0.00 H +ATOM 3671 HB2 PRO H 204 2.693 12.806 35.162 1.00 0.00 H +ATOM 3672 HB3 PRO H 204 2.022 11.641 34.372 1.00 0.00 H +ATOM 3673 HG2 PRO H 204 4.470 11.641 35.507 1.00 0.00 H +ATOM 3674 HG3 PRO H 204 3.694 10.410 34.946 1.00 0.00 H +ATOM 3675 HD2 PRO H 204 5.822 11.532 33.805 1.00 0.00 H +ATOM 3676 HD3 PRO H 204 4.998 10.352 33.204 1.00 0.00 H +ATOM 3677 N PHE H 204A 4.675 14.823 33.351 1.00 0.00 N +ATOM 3678 CA PHE H 204A 5.153 16.163 33.613 1.00 0.00 C +ATOM 3679 C PHE H 204A 5.135 17.108 32.404 1.00 0.00 C +ATOM 3680 O PHE H 204A 4.754 18.261 32.559 1.00 0.00 O +ATOM 3681 CB PHE H 204A 6.631 16.096 34.114 1.00 0.00 C +ATOM 3682 CG PHE H 204A 6.705 15.130 35.271 1.00 0.00 C +ATOM 3683 CD1 PHE H 204A 6.091 15.411 36.464 1.00 0.00 C +ATOM 3684 CD2 PHE H 204A 7.349 13.903 35.107 1.00 0.00 C +ATOM 3685 CE1 PHE H 204A 6.091 14.530 37.521 1.00 0.00 C +ATOM 3686 CE2 PHE H 204A 7.435 12.999 36.190 1.00 0.00 C +ATOM 3687 CZ PHE H 204A 6.783 13.322 37.405 1.00 0.00 C +ATOM 3688 H PHE H 204A 5.314 14.286 33.143 1.00 0.00 H +ATOM 3689 HA PHE H 204A 4.539 16.522 34.272 1.00 0.00 H +ATOM 3690 HB2 PHE H 204A 7.217 15.807 33.397 1.00 0.00 H +ATOM 3691 HB3 PHE H 204A 6.933 16.975 34.390 1.00 0.00 H +ATOM 3692 HD1 PHE H 204A 5.658 16.228 36.563 1.00 0.00 H +ATOM 3693 HD2 PHE H 204A 7.722 13.680 34.285 1.00 0.00 H +ATOM 3694 HE1 PHE H 204A 5.635 14.737 38.305 1.00 0.00 H +ATOM 3695 HE2 PHE H 204A 7.912 12.205 36.106 1.00 0.00 H +ATOM 3696 HZ PHE H 204A 6.815 12.732 38.123 1.00 0.00 H +ATOM 3697 N ASN H 204B 5.678 16.608 31.280 1.00 0.00 N +ATOM 3698 CA ASN H 204B 5.704 17.469 30.059 1.00 0.00 C +ATOM 3699 C ASN H 204B 4.891 16.911 28.908 1.00 0.00 C +ATOM 3700 O ASN H 204B 4.966 17.452 27.772 1.00 0.00 O +ATOM 3701 CB ASN H 204B 7.148 17.798 29.729 1.00 0.00 C +ATOM 3702 CG ASN H 204B 7.931 16.567 29.257 1.00 0.00 C +ATOM 3703 OD1 ASN H 204B 9.153 16.637 29.023 1.00 0.00 O +ATOM 3704 ND2 ASN H 204B 7.297 15.445 29.115 1.00 0.00 N +ATOM 3705 H ASN H 204B 6.019 15.823 31.195 1.00 0.00 H +ATOM 3706 HA ASN H 204B 5.247 18.305 30.243 1.00 0.00 H +ATOM 3707 HB2 ASN H 204B 7.173 18.479 29.039 1.00 0.00 H +ATOM 3708 HB3 ASN H 204B 7.580 18.173 30.513 1.00 0.00 H +ATOM 3709 HD21 ASN H 204B 7.720 14.742 28.858 1.00 0.00 H +ATOM 3710 HD22 ASN H 204B 6.454 15.404 29.278 1.00 0.00 H +ATOM 3711 N ASN H 205 4.245 15.731 29.101 1.00 0.00 N +ATOM 3712 CA ASN H 205 3.438 15.054 28.078 1.00 0.00 C +ATOM 3713 C ASN H 205 4.147 14.430 26.870 1.00 0.00 C +ATOM 3714 O ASN H 205 3.443 14.268 25.855 1.00 0.00 O +ATOM 3715 CB ASN H 205 2.665 16.287 27.428 1.00 0.00 C +ATOM 3716 CG ASN H 205 1.209 15.948 27.753 1.00 0.00 C +ATOM 3717 OD1 ASN H 205 0.961 15.911 28.995 1.00 0.00 O +ATOM 3718 ND2 ASN H 205 0.540 15.677 26.616 1.00 0.00 N +ATOM 3719 H ASN H 205 4.272 15.305 29.847 1.00 0.00 H +ATOM 3720 HA ASN H 205 2.974 14.325 28.518 1.00 0.00 H +ATOM 3721 HB2 ASN H 205 2.937 17.133 27.816 1.00 0.00 H +ATOM 3722 HB3 ASN H 205 2.819 16.351 26.473 1.00 0.00 H +ATOM 3723 HD21 ASN H 205 -0.274 15.401 26.651 1.00 0.00 H +ATOM 3724 HD22 ASN H 205 0.927 15.780 25.855 1.00 0.00 H +ATOM 3725 N ARG H 206 5.439 14.262 26.931 1.00 0.00 N +ATOM 3726 CA ARG H 206 6.221 13.730 25.840 1.00 0.00 C +ATOM 3727 C ARG H 206 6.482 12.209 26.004 1.00 0.00 C +ATOM 3728 O ARG H 206 6.579 11.767 27.164 1.00 0.00 O +ATOM 3729 CB ARG H 206 7.609 14.400 25.763 1.00 0.00 C +ATOM 3730 CG ARG H 206 7.498 15.899 25.719 1.00 0.00 C +ATOM 3731 CD ARG H 206 8.749 16.461 25.108 1.00 0.00 C +ATOM 3732 NE ARG H 206 8.579 17.928 25.034 1.00 0.00 N +ATOM 3733 CZ ARG H 206 9.112 18.583 24.007 1.00 0.00 C +ATOM 3734 NH1 ARG H 206 9.839 17.959 23.116 1.00 0.00 N +ATOM 3735 NH2 ARG H 206 9.021 19.935 23.932 1.00 0.00 N +ATOM 3736 H ARG H 206 5.906 14.458 27.626 1.00 0.00 H +ATOM 3737 HA ARG H 206 5.702 13.905 25.039 1.00 0.00 H +ATOM 3738 HB2 ARG H 206 8.139 14.136 26.531 1.00 0.00 H +ATOM 3739 HB3 ARG H 206 8.077 14.086 24.974 1.00 0.00 H +ATOM 3740 HG2 ARG H 206 6.723 16.163 25.199 1.00 0.00 H +ATOM 3741 HG3 ARG H 206 7.373 16.253 26.614 1.00 0.00 H +ATOM 3742 HD2 ARG H 206 9.524 16.233 25.644 1.00 0.00 H +ATOM 3743 HD3 ARG H 206 8.896 16.088 24.225 1.00 0.00 H +ATOM 3744 HE ARG H 206 8.143 18.350 25.644 1.00 0.00 H +ATOM 3745 HH11 ARG H 206 9.978 17.113 23.190 1.00 0.00 H +ATOM 3746 HH12 ARG H 206 10.178 18.394 22.456 1.00 0.00 H +ATOM 3747 HH21 ARG H 206 8.617 20.374 24.551 1.00 0.00 H +ATOM 3748 HH22 ARG H 206 9.368 20.353 23.265 1.00 0.00 H +ATOM 3749 N TRP H 207 6.795 11.586 24.855 1.00 0.00 N +ATOM 3750 CA TRP H 207 7.068 10.098 24.900 1.00 0.00 C +ATOM 3751 C TRP H 207 8.565 9.937 24.999 1.00 0.00 C +ATOM 3752 O TRP H 207 9.260 10.627 24.222 1.00 0.00 O +ATOM 3753 CB TRP H 207 6.497 9.345 23.676 1.00 0.00 C +ATOM 3754 CG TRP H 207 5.012 9.286 23.607 1.00 0.00 C +ATOM 3755 CD1 TRP H 207 4.161 10.229 23.084 1.00 0.00 C +ATOM 3756 CD2 TRP H 207 4.155 8.249 24.129 1.00 0.00 C +ATOM 3757 NE1 TRP H 207 2.863 9.889 23.352 1.00 0.00 N +ATOM 3758 CE2 TRP H 207 2.838 8.643 23.925 1.00 0.00 C +ATOM 3759 CE3 TRP H 207 4.418 7.043 24.743 1.00 0.00 C +ATOM 3760 CZ2 TRP H 207 1.748 7.893 24.328 1.00 0.00 C +ATOM 3761 CZ3 TRP H 207 3.330 6.249 25.135 1.00 0.00 C +ATOM 3762 CH2 TRP H 207 2.032 6.641 24.886 1.00 0.00 C +ATOM 3763 H TRP H 207 6.856 11.958 24.082 1.00 0.00 H +ATOM 3764 HA TRP H 207 6.620 9.704 25.665 1.00 0.00 H +ATOM 3765 HB2 TRP H 207 6.828 9.770 22.869 1.00 0.00 H +ATOM 3766 HB3 TRP H 207 6.843 8.439 23.681 1.00 0.00 H +ATOM 3767 HD1 TRP H 207 4.428 10.987 22.616 1.00 0.00 H +ATOM 3768 HE1 TRP H 207 2.174 10.377 23.188 1.00 0.00 H +ATOM 3769 HE3 TRP H 207 5.292 6.764 24.893 1.00 0.00 H +ATOM 3770 HZ2 TRP H 207 0.876 8.203 24.234 1.00 0.00 H +ATOM 3771 HZ3 TRP H 207 3.487 5.443 25.571 1.00 0.00 H +ATOM 3772 HH2 TRP H 207 1.333 6.064 25.092 1.00 0.00 H +ATOM 3773 N TYR H 208 9.023 9.150 25.904 1.00 0.00 N +ATOM 3774 CA TYR H 208 10.502 8.887 26.021 1.00 0.00 C +ATOM 3775 C TYR H 208 10.837 7.419 25.754 1.00 0.00 C +ATOM 3776 O TYR H 208 10.140 6.517 26.332 1.00 0.00 O +ATOM 3777 CB TYR H 208 10.861 9.252 27.499 1.00 0.00 C +ATOM 3778 CG TYR H 208 10.958 10.783 27.709 1.00 0.00 C +ATOM 3779 CD1 TYR H 208 12.139 11.466 27.482 1.00 0.00 C +ATOM 3780 CD2 TYR H 208 9.834 11.510 28.086 1.00 0.00 C +ATOM 3781 CE1 TYR H 208 12.259 12.828 27.710 1.00 0.00 C +ATOM 3782 CE2 TYR H 208 9.888 12.893 28.274 1.00 0.00 C +ATOM 3783 CZ TYR H 208 11.102 13.542 28.039 1.00 0.00 C +ATOM 3784 OH TYR H 208 11.147 14.911 28.269 1.00 0.00 O +ATOM 3785 H TYR H 208 8.536 8.737 26.480 1.00 0.00 H +ATOM 3786 HA TYR H 208 11.002 9.405 25.371 1.00 0.00 H +ATOM 3787 HB2 TYR H 208 10.188 8.886 28.094 1.00 0.00 H +ATOM 3788 HB3 TYR H 208 11.706 8.839 27.738 1.00 0.00 H +ATOM 3789 HD1 TYR H 208 12.877 10.996 27.166 1.00 0.00 H +ATOM 3790 HD2 TYR H 208 9.028 11.065 28.216 1.00 0.00 H +ATOM 3791 HE1 TYR H 208 13.083 13.254 27.646 1.00 0.00 H +ATOM 3792 HE2 TYR H 208 9.137 13.368 28.548 1.00 0.00 H +ATOM 3793 HH TYR H 208 10.682 15.308 27.693 1.00 0.00 H +ATOM 3794 N GLN H 209 11.934 7.097 25.159 1.00 0.00 N +ATOM 3795 CA GLN H 209 12.364 5.691 24.990 1.00 0.00 C +ATOM 3796 C GLN H 209 13.171 5.214 26.204 1.00 0.00 C +ATOM 3797 O GLN H 209 14.347 5.568 26.324 1.00 0.00 O +ATOM 3798 CB GLN H 209 13.126 5.520 23.655 1.00 0.00 C +ATOM 3799 CG GLN H 209 13.543 4.048 23.470 1.00 0.00 C +ATOM 3800 CD GLN H 209 14.063 3.680 22.141 1.00 0.00 C +ATOM 3801 OE1 GLN H 209 14.036 4.442 21.129 1.00 0.00 O +ATOM 3802 NE2 GLN H 209 14.451 2.400 22.001 1.00 0.00 N +ATOM 3803 H GLN H 209 12.480 7.672 24.826 1.00 0.00 H +ATOM 3804 HA GLN H 209 11.580 5.122 24.944 1.00 0.00 H +ATOM 3805 HB2 GLN H 209 12.564 5.800 22.915 1.00 0.00 H +ATOM 3806 HB3 GLN H 209 13.911 6.090 23.647 1.00 0.00 H +ATOM 3807 HG2 GLN H 209 14.221 3.838 24.131 1.00 0.00 H +ATOM 3808 HG3 GLN H 209 12.775 3.487 23.663 1.00 0.00 H +ATOM 3809 HE21 GLN H 209 14.471 1.879 22.685 1.00 0.00 H +ATOM 3810 HE22 GLN H 209 14.679 2.102 21.227 1.00 0.00 H +ATOM 3811 N MET H 210 12.640 4.382 27.075 1.00 0.00 N +ATOM 3812 CA MET H 210 13.316 3.827 28.210 1.00 0.00 C +ATOM 3813 C MET H 210 14.085 2.516 27.920 1.00 0.00 C +ATOM 3814 O MET H 210 15.090 2.298 28.602 1.00 0.00 O +ATOM 3815 CB MET H 210 12.366 3.614 29.392 1.00 0.00 C +ATOM 3816 CG MET H 210 11.381 4.745 29.541 1.00 0.00 C +ATOM 3817 SD MET H 210 12.353 6.243 29.874 1.00 0.00 S +ATOM 3818 CE MET H 210 12.768 5.967 31.619 1.00 0.00 C +ATOM 3819 H MET H 210 11.826 4.113 27.011 1.00 0.00 H +ATOM 3820 HA MET H 210 13.980 4.495 28.442 1.00 0.00 H +ATOM 3821 HB2 MET H 210 11.884 2.781 29.271 1.00 0.00 H +ATOM 3822 HB3 MET H 210 12.882 3.527 30.208 1.00 0.00 H +ATOM 3823 HG2 MET H 210 10.852 4.850 28.735 1.00 0.00 H +ATOM 3824 HG3 MET H 210 10.761 4.569 30.266 1.00 0.00 H +ATOM 3825 HE1 MET H 210 13.302 6.708 31.946 1.00 0.00 H +ATOM 3826 HE2 MET H 210 11.952 5.903 32.140 1.00 0.00 H +ATOM 3827 HE3 MET H 210 13.272 5.143 31.706 1.00 0.00 H +ATOM 3828 N GLY H 211 13.629 1.689 26.958 1.00 0.00 N +ATOM 3829 CA GLY H 211 14.269 0.392 26.714 1.00 0.00 C +ATOM 3830 C GLY H 211 14.258 -0.014 25.271 1.00 0.00 C +ATOM 3831 O GLY H 211 13.552 0.614 24.446 1.00 0.00 O +ATOM 3832 H GLY H 211 12.960 1.863 26.446 1.00 0.00 H +ATOM 3833 HA2 GLY H 211 15.187 0.428 27.026 1.00 0.00 H +ATOM 3834 HA3 GLY H 211 13.817 -0.288 27.238 1.00 0.00 H +ATOM 3835 N ILE H 212 15.046 -1.013 24.949 1.00 0.00 N +ATOM 3836 CA ILE H 212 15.134 -1.659 23.613 1.00 0.00 C +ATOM 3837 C ILE H 212 14.773 -3.166 23.770 1.00 0.00 C +ATOM 3838 O ILE H 212 15.239 -3.799 24.723 1.00 0.00 O +ATOM 3839 CB ILE H 212 16.540 -1.524 22.973 1.00 0.00 C +ATOM 3840 CG1 ILE H 212 17.023 -0.044 22.792 1.00 0.00 C +ATOM 3841 CG2 ILE H 212 16.690 -2.159 21.559 1.00 0.00 C +ATOM 3842 CD1 ILE H 212 18.578 -0.010 22.662 1.00 0.00 C +ATOM 3843 H ILE H 212 15.582 -1.368 25.520 1.00 0.00 H +ATOM 3844 HA ILE H 212 14.512 -1.209 23.020 1.00 0.00 H +ATOM 3845 HB ILE H 212 17.076 -2.003 23.624 1.00 0.00 H +ATOM 3846 HG12 ILE H 212 16.615 0.344 22.002 1.00 0.00 H +ATOM 3847 HG13 ILE H 212 16.741 0.492 23.550 1.00 0.00 H +ATOM 3848 HG21 ILE H 212 17.596 -2.027 21.239 1.00 0.00 H +ATOM 3849 HG22 ILE H 212 16.500 -3.109 21.609 1.00 0.00 H +ATOM 3850 HG23 ILE H 212 16.067 -1.737 20.947 1.00 0.00 H +ATOM 3851 HD11 ILE H 212 18.874 0.907 22.550 1.00 0.00 H +ATOM 3852 HD12 ILE H 212 18.978 -0.383 23.463 1.00 0.00 H +ATOM 3853 HD13 ILE H 212 18.850 -0.533 21.892 1.00 0.00 H +ATOM 3854 N VAL H 213 13.960 -3.731 22.905 1.00 0.00 N +ATOM 3855 CA VAL H 213 13.658 -5.188 22.928 1.00 0.00 C +ATOM 3856 C VAL H 213 14.956 -5.969 22.711 1.00 0.00 C +ATOM 3857 O VAL H 213 15.671 -5.891 21.698 1.00 0.00 O +ATOM 3858 CB VAL H 213 12.543 -5.522 21.924 1.00 0.00 C +ATOM 3859 CG1 VAL H 213 12.200 -7.056 22.044 1.00 0.00 C +ATOM 3860 CG2 VAL H 213 11.316 -4.656 22.067 1.00 0.00 C +ATOM 3861 H VAL H 213 13.557 -3.300 22.280 1.00 0.00 H +ATOM 3862 HA VAL H 213 13.310 -5.456 23.793 1.00 0.00 H +ATOM 3863 HB VAL H 213 12.873 -5.326 21.033 1.00 0.00 H +ATOM 3864 HG11 VAL H 213 11.497 -7.281 21.415 1.00 0.00 H +ATOM 3865 HG12 VAL H 213 12.991 -7.581 21.845 1.00 0.00 H +ATOM 3866 HG13 VAL H 213 11.901 -7.251 22.946 1.00 0.00 H +ATOM 3867 HG21 VAL H 213 10.656 -4.919 21.407 1.00 0.00 H +ATOM 3868 HG22 VAL H 213 10.945 -4.765 22.956 1.00 0.00 H +ATOM 3869 HG23 VAL H 213 11.558 -3.727 21.930 1.00 0.00 H +ATOM 3870 N SER H 214 15.255 -6.761 23.804 1.00 0.00 N +ATOM 3871 CA SER H 214 16.533 -7.525 23.777 1.00 0.00 C +ATOM 3872 C SER H 214 16.394 -9.038 23.739 1.00 0.00 C +ATOM 3873 O SER H 214 16.745 -9.630 22.689 1.00 0.00 O +ATOM 3874 CB SER H 214 17.448 -7.101 24.944 1.00 0.00 C +ATOM 3875 OG SER H 214 18.735 -7.616 24.721 1.00 0.00 O +ATOM 3876 H SER H 214 14.769 -6.857 24.507 1.00 0.00 H +ATOM 3877 HA SER H 214 16.937 -7.290 22.927 1.00 0.00 H +ATOM 3878 HB2 SER H 214 17.480 -6.134 25.011 1.00 0.00 H +ATOM 3879 HB3 SER H 214 17.095 -7.432 25.785 1.00 0.00 H +ATOM 3880 HG SER H 214 19.198 -7.046 24.314 1.00 0.00 H +ATOM 3881 N TRP H 215 15.811 -9.643 24.761 1.00 0.00 N +ATOM 3882 CA TRP H 215 15.667 -11.093 24.839 1.00 0.00 C +ATOM 3883 C TRP H 215 14.567 -11.601 25.724 1.00 0.00 C +ATOM 3884 O TRP H 215 13.981 -10.867 26.543 1.00 0.00 O +ATOM 3885 CB TRP H 215 17.026 -11.728 25.222 1.00 0.00 C +ATOM 3886 CG TRP H 215 17.542 -11.319 26.537 1.00 0.00 C +ATOM 3887 CD1 TRP H 215 18.454 -10.297 26.768 1.00 0.00 C +ATOM 3888 CD2 TRP H 215 17.412 -12.018 27.797 1.00 0.00 C +ATOM 3889 NE1 TRP H 215 18.780 -10.220 28.107 1.00 0.00 N +ATOM 3890 CE2 TRP H 215 18.260 -11.340 28.735 1.00 0.00 C +ATOM 3891 CE3 TRP H 215 16.760 -13.184 28.187 1.00 0.00 C +ATOM 3892 CZ2 TRP H 215 18.353 -11.748 30.061 1.00 0.00 C +ATOM 3893 CZ3 TRP H 215 16.908 -13.641 29.488 1.00 0.00 C +ATOM 3894 CH2 TRP H 215 17.698 -12.935 30.427 1.00 0.00 C +ATOM 3895 H TRP H 215 15.484 -9.223 25.436 1.00 0.00 H +ATOM 3896 HA TRP H 215 15.391 -11.370 23.951 1.00 0.00 H +ATOM 3897 HB2 TRP H 215 16.934 -12.694 25.210 1.00 0.00 H +ATOM 3898 HB3 TRP H 215 17.680 -11.497 24.544 1.00 0.00 H +ATOM 3899 HD1 TRP H 215 18.799 -9.739 26.109 1.00 0.00 H +ATOM 3900 HE1 TRP H 215 19.226 -9.589 28.484 1.00 0.00 H +ATOM 3901 HE3 TRP H 215 16.231 -13.652 27.582 1.00 0.00 H +ATOM 3902 HZ2 TRP H 215 18.833 -11.252 30.684 1.00 0.00 H +ATOM 3903 HZ3 TRP H 215 16.481 -14.425 29.748 1.00 0.00 H +ATOM 3904 HH2 TRP H 215 17.784 -13.260 31.294 1.00 0.00 H +ATOM 3905 N GLY H 216 14.300 -12.912 25.577 1.00 0.00 N +ATOM 3906 CA GLY H 216 13.217 -13.547 26.392 1.00 0.00 C +ATOM 3907 C GLY H 216 13.300 -15.088 26.172 1.00 0.00 C +ATOM 3908 O GLY H 216 13.932 -15.518 25.178 1.00 0.00 O +ATOM 3909 H GLY H 216 14.710 -13.440 25.036 1.00 0.00 H +ATOM 3910 HA2 GLY H 216 13.327 -13.331 27.331 1.00 0.00 H +ATOM 3911 HA3 GLY H 216 12.348 -13.211 26.123 1.00 0.00 H +ATOM 3912 N GLU H 217 12.728 -15.830 27.073 1.00 0.00 N +ATOM 3913 CA GLU H 217 12.807 -17.350 26.972 1.00 0.00 C +ATOM 3914 C GLU H 217 11.407 -17.853 26.705 1.00 0.00 C +ATOM 3915 O GLU H 217 10.502 -17.889 27.552 1.00 0.00 O +ATOM 3916 CB GLU H 217 13.432 -17.905 28.226 1.00 0.00 C +ATOM 3917 CG GLU H 217 14.876 -17.418 28.635 1.00 0.00 C +ATOM 3918 CD GLU H 217 15.144 -17.692 30.124 1.00 0.00 C +ATOM 3919 OE1 GLU H 217 14.336 -17.191 30.949 1.00 0.00 O +ATOM 3920 OE2 GLU H 217 16.083 -18.335 30.535 1.00 0.00 O +ATOM 3921 H GLU H 217 12.290 -15.530 27.750 1.00 0.00 H +ATOM 3922 HA GLU H 217 13.375 -17.648 26.244 1.00 0.00 H +ATOM 3923 HB2 GLU H 217 12.835 -17.707 28.964 1.00 0.00 H +ATOM 3924 HB3 GLU H 217 13.462 -18.870 28.137 1.00 0.00 H +ATOM 3925 HG2 GLU H 217 15.540 -17.872 28.094 1.00 0.00 H +ATOM 3926 HG3 GLU H 217 14.965 -16.469 28.456 1.00 0.00 H +ATOM 3927 N GLY H 219 11.247 -18.056 25.388 1.00 0.00 N +ATOM 3928 CA GLY H 219 9.874 -18.292 24.828 1.00 0.00 C +ATOM 3929 C GLY H 219 9.255 -16.845 24.666 1.00 0.00 C +ATOM 3930 O GLY H 219 9.948 -15.783 24.734 1.00 0.00 O +ATOM 3931 H GLY H 219 11.885 -18.064 24.811 1.00 0.00 H +ATOM 3932 HA2 GLY H 219 9.915 -18.755 23.977 1.00 0.00 H +ATOM 3933 HA3 GLY H 219 9.339 -18.840 25.424 1.00 0.00 H +ATOM 3934 N CYS H 220 7.967 -16.839 24.492 1.00 0.00 N +ATOM 3935 CA CYS H 220 7.183 -15.609 24.334 1.00 0.00 C +ATOM 3936 C CYS H 220 5.942 -15.798 25.221 1.00 0.00 C +ATOM 3937 O CYS H 220 5.275 -16.870 25.029 1.00 0.00 O +ATOM 3938 CB CYS H 220 6.765 -15.351 22.886 1.00 0.00 C +ATOM 3939 SG CYS H 220 8.075 -15.435 21.718 1.00 0.00 S +ATOM 3940 H CYS H 220 7.494 -17.556 24.459 1.00 0.00 H +ATOM 3941 HA CYS H 220 7.714 -14.838 24.589 1.00 0.00 H +ATOM 3942 HB2 CYS H 220 6.085 -15.997 22.638 1.00 0.00 H +ATOM 3943 HB3 CYS H 220 6.355 -14.473 22.832 1.00 0.00 H +ATOM 3944 N ASP H 221 5.683 -14.882 26.123 1.00 0.00 N +ATOM 3945 CA ASP H 221 4.451 -14.975 26.901 1.00 0.00 C +ATOM 3946 C ASP H 221 4.295 -16.277 27.714 1.00 0.00 C +ATOM 3947 O ASP H 221 3.134 -16.664 28.001 1.00 0.00 O +ATOM 3948 CB ASP H 221 3.243 -14.626 26.030 1.00 0.00 C +ATOM 3949 CG ASP H 221 2.062 -14.209 26.858 1.00 0.00 C +ATOM 3950 OD1 ASP H 221 2.236 -13.567 27.932 1.00 0.00 O +ATOM 3951 OD2 ASP H 221 0.918 -14.610 26.510 1.00 0.00 O +ATOM 3952 H ASP H 221 6.187 -14.210 26.305 1.00 0.00 H +ATOM 3953 HA ASP H 221 4.508 -14.305 27.600 1.00 0.00 H +ATOM 3954 HB2 ASP H 221 3.480 -13.910 25.420 1.00 0.00 H +ATOM 3955 HB3 ASP H 221 3.003 -15.393 25.487 1.00 0.00 H +ATOM 3956 N ARG H 221A 5.403 -16.803 28.225 1.00 0.00 N +ATOM 3957 CA ARG H 221A 5.276 -17.989 29.140 1.00 0.00 C +ATOM 3958 C ARG H 221A 4.947 -17.504 30.548 1.00 0.00 C +ATOM 3959 O ARG H 221A 5.559 -16.485 31.009 1.00 0.00 O +ATOM 3960 CB ARG H 221A 6.576 -18.766 29.136 1.00 0.00 C +ATOM 3961 CG ARG H 221A 7.226 -19.032 27.779 1.00 0.00 C +ATOM 3962 CD ARG H 221A 6.931 -20.447 27.369 1.00 0.00 C +ATOM 3963 NE ARG H 221A 7.952 -21.111 26.587 1.00 0.00 N +ATOM 3964 CZ ARG H 221A 9.149 -21.466 27.044 1.00 0.00 C +ATOM 3965 NH1 ARG H 221A 9.513 -21.159 28.303 1.00 0.00 N +ATOM 3966 NH2 ARG H 221A 10.099 -22.023 26.304 1.00 0.00 N +ATOM 3967 H ARG H 221A 6.203 -16.524 28.079 1.00 0.00 H +ATOM 3968 HA ARG H 221A 4.563 -18.571 28.834 1.00 0.00 H +ATOM 3969 HB2 ARG H 221A 7.215 -18.286 29.686 1.00 0.00 H +ATOM 3970 HB3 ARG H 221A 6.417 -19.621 29.566 1.00 0.00 H +ATOM 3971 HG2 ARG H 221A 6.884 -18.412 27.116 1.00 0.00 H +ATOM 3972 HG3 ARG H 221A 8.184 -18.891 27.832 1.00 0.00 H +ATOM 3973 HD2 ARG H 221A 6.772 -20.970 28.170 1.00 0.00 H +ATOM 3974 HD3 ARG H 221A 6.106 -20.451 26.859 1.00 0.00 H +ATOM 3975 HE ARG H 221A 7.771 -21.289 25.765 1.00 0.00 H +ATOM 3976 HH11 ARG H 221A 8.970 -20.732 28.815 1.00 0.00 H +ATOM 3977 HH12 ARG H 221A 10.288 -21.390 28.595 1.00 0.00 H +ATOM 3978 HH21 ARG H 221A 9.959 -22.177 25.469 1.00 0.00 H +ATOM 3979 HH22 ARG H 221A 10.854 -22.230 26.659 1.00 0.00 H +ATOM 3980 N ASP H 222 4.142 -18.220 31.316 1.00 0.00 N +ATOM 3981 CA ASP H 222 3.882 -17.847 32.728 1.00 0.00 C +ATOM 3982 C ASP H 222 5.172 -17.935 33.563 1.00 0.00 C +ATOM 3983 O ASP H 222 5.978 -18.819 33.275 1.00 0.00 O +ATOM 3984 CB ASP H 222 2.763 -18.686 33.343 1.00 0.00 C +ATOM 3985 CG ASP H 222 1.423 -18.263 32.741 1.00 0.00 C +ATOM 3986 OD1 ASP H 222 1.378 -18.134 31.495 1.00 0.00 O +ATOM 3987 OD2 ASP H 222 0.445 -18.010 33.465 1.00 0.00 O +ATOM 3988 H ASP H 222 3.730 -18.927 31.053 1.00 0.00 H +ATOM 3989 HA ASP H 222 3.580 -16.925 32.735 1.00 0.00 H +ATOM 3990 HB2 ASP H 222 2.922 -19.628 33.175 1.00 0.00 H +ATOM 3991 HB3 ASP H 222 2.748 -18.568 34.306 1.00 0.00 H +ATOM 3992 N GLY H 223 5.434 -16.934 34.390 1.00 0.00 N +ATOM 3993 CA GLY H 223 6.609 -16.914 35.264 1.00 0.00 C +ATOM 3994 C GLY H 223 7.895 -16.539 34.556 1.00 0.00 C +ATOM 3995 O GLY H 223 8.988 -16.573 35.204 1.00 0.00 O +ATOM 3996 H GLY H 223 4.933 -16.239 34.464 1.00 0.00 H +ATOM 3997 HA2 GLY H 223 6.453 -16.286 35.986 1.00 0.00 H +ATOM 3998 HA3 GLY H 223 6.716 -17.790 35.668 1.00 0.00 H +ATOM 3999 N LYS H 224 7.777 -16.175 33.291 1.00 0.00 N +ATOM 4000 CA LYS H 224 8.916 -15.645 32.503 1.00 0.00 C +ATOM 4001 C LYS H 224 8.542 -14.165 32.137 1.00 0.00 C +ATOM 4002 O LYS H 224 7.362 -13.737 32.110 1.00 0.00 O +ATOM 4003 CB LYS H 224 9.240 -16.493 31.303 1.00 0.00 C +ATOM 4004 CG LYS H 224 9.769 -17.899 31.657 1.00 0.00 C +ATOM 4005 CD LYS H 224 11.254 -18.020 31.842 1.00 0.00 C +ATOM 4006 CE LYS H 224 11.766 -19.428 32.212 1.00 0.00 C +ATOM 4007 NZ LYS H 224 13.279 -19.429 32.164 1.00 0.00 N +ATOM 4008 H LYS H 224 7.040 -16.222 32.851 1.00 0.00 H +ATOM 4009 HA LYS H 224 9.736 -15.668 33.021 1.00 0.00 H +ATOM 4010 HB2 LYS H 224 8.443 -16.585 30.758 1.00 0.00 H +ATOM 4011 HB3 LYS H 224 9.902 -16.034 30.763 1.00 0.00 H +ATOM 4012 HG2 LYS H 224 9.335 -18.192 32.474 1.00 0.00 H +ATOM 4013 HG3 LYS H 224 9.498 -18.512 30.956 1.00 0.00 H +ATOM 4014 HD2 LYS H 224 11.690 -17.740 31.022 1.00 0.00 H +ATOM 4015 HD3 LYS H 224 11.529 -17.400 32.536 1.00 0.00 H +ATOM 4016 HE2 LYS H 224 11.459 -19.674 33.098 1.00 0.00 H +ATOM 4017 HE3 LYS H 224 11.411 -20.087 31.595 1.00 0.00 H +ATOM 4018 HZ1 LYS H 224 13.566 -20.219 31.872 1.00 0.00 H +ATOM 4019 HZ2 LYS H 224 13.559 -18.790 31.612 1.00 0.00 H +ATOM 4020 HZ3 LYS H 224 13.602 -19.279 32.980 1.00 0.00 H +ATOM 4021 N TYR H 225 9.570 -13.367 31.830 1.00 0.00 N +ATOM 4022 CA TYR H 225 9.516 -11.955 31.564 1.00 0.00 C +ATOM 4023 C TYR H 225 10.362 -11.561 30.357 1.00 0.00 C +ATOM 4024 O TYR H 225 11.309 -12.237 29.941 1.00 0.00 O +ATOM 4025 CB TYR H 225 9.999 -11.175 32.841 1.00 0.00 C +ATOM 4026 CG TYR H 225 9.217 -11.557 34.061 1.00 0.00 C +ATOM 4027 CD1 TYR H 225 7.943 -11.000 34.213 1.00 0.00 C +ATOM 4028 CD2 TYR H 225 9.638 -12.550 34.971 1.00 0.00 C +ATOM 4029 CE1 TYR H 225 7.128 -11.330 35.258 1.00 0.00 C +ATOM 4030 CE2 TYR H 225 8.852 -12.847 36.084 1.00 0.00 C +ATOM 4031 CZ TYR H 225 7.589 -12.301 36.164 1.00 0.00 C +ATOM 4032 OH TYR H 225 6.672 -12.615 37.175 1.00 0.00 O +ATOM 4033 H TYR H 225 10.371 -13.674 31.771 1.00 0.00 H +ATOM 4034 HA TYR H 225 8.598 -11.723 31.354 1.00 0.00 H +ATOM 4035 HB2 TYR H 225 10.940 -11.354 32.992 1.00 0.00 H +ATOM 4036 HB3 TYR H 225 9.913 -10.221 32.688 1.00 0.00 H +ATOM 4037 HD1 TYR H 225 7.642 -10.386 33.583 1.00 0.00 H +ATOM 4038 HD2 TYR H 225 10.437 -13.005 34.829 1.00 0.00 H +ATOM 4039 HE1 TYR H 225 6.297 -10.926 35.366 1.00 0.00 H +ATOM 4040 HE2 TYR H 225 9.173 -13.402 36.758 1.00 0.00 H +ATOM 4041 HH TYR H 225 5.896 -12.632 36.854 1.00 0.00 H +ATOM 4042 N GLY H 226 10.056 -10.374 29.836 1.00 0.00 N +ATOM 4043 CA GLY H 226 10.916 -9.913 28.664 1.00 0.00 C +ATOM 4044 C GLY H 226 11.978 -8.985 29.288 1.00 0.00 C +ATOM 4045 O GLY H 226 11.709 -8.366 30.322 1.00 0.00 O +ATOM 4046 H GLY H 226 9.428 -9.846 30.092 1.00 0.00 H +ATOM 4047 HA2 GLY H 226 11.329 -10.666 28.214 1.00 0.00 H +ATOM 4048 HA3 GLY H 226 10.385 -9.443 28.002 1.00 0.00 H +ATOM 4049 N PHE H 227 13.137 -8.995 28.662 1.00 0.00 N +ATOM 4050 CA PHE H 227 14.321 -8.190 29.085 1.00 0.00 C +ATOM 4051 C PHE H 227 14.630 -7.168 28.021 1.00 0.00 C +ATOM 4052 O PHE H 227 14.591 -7.460 26.822 1.00 0.00 O +ATOM 4053 CB PHE H 227 15.578 -9.045 29.360 1.00 0.00 C +ATOM 4054 CG PHE H 227 15.392 -9.870 30.635 1.00 0.00 C +ATOM 4055 CD1 PHE H 227 14.550 -10.995 30.586 1.00 0.00 C +ATOM 4056 CD2 PHE H 227 15.955 -9.472 31.838 1.00 0.00 C +ATOM 4057 CE1 PHE H 227 14.329 -11.790 31.720 1.00 0.00 C +ATOM 4058 CE2 PHE H 227 15.742 -10.235 32.974 1.00 0.00 C +ATOM 4059 CZ PHE H 227 14.881 -11.350 32.916 1.00 0.00 C +ATOM 4060 H PHE H 227 13.283 -9.473 27.962 1.00 0.00 H +ATOM 4061 HA PHE H 227 14.088 -7.761 29.923 1.00 0.00 H +ATOM 4062 HB2 PHE H 227 15.747 -9.634 28.608 1.00 0.00 H +ATOM 4063 HB3 PHE H 227 16.354 -8.470 29.450 1.00 0.00 H +ATOM 4064 HD1 PHE H 227 14.131 -11.216 29.786 1.00 0.00 H +ATOM 4065 HD2 PHE H 227 16.471 -8.700 31.882 1.00 0.00 H +ATOM 4066 HE1 PHE H 227 13.835 -12.577 31.673 1.00 0.00 H +ATOM 4067 HE2 PHE H 227 16.165 -10.013 33.772 1.00 0.00 H +ATOM 4068 HZ PHE H 227 14.677 -11.804 33.702 1.00 0.00 H +ATOM 4069 N TYR H 228 14.987 -5.970 28.504 1.00 0.00 N +ATOM 4070 CA TYR H 228 15.205 -4.799 27.646 1.00 0.00 C +ATOM 4071 C TYR H 228 16.488 -4.081 28.020 1.00 0.00 C +ATOM 4072 O TYR H 228 16.695 -3.949 29.239 1.00 0.00 O +ATOM 4073 CB TYR H 228 14.028 -3.764 27.906 1.00 0.00 C +ATOM 4074 CG TYR H 228 12.645 -4.297 27.602 1.00 0.00 C +ATOM 4075 CD1 TYR H 228 11.966 -5.140 28.548 1.00 0.00 C +ATOM 4076 CD2 TYR H 228 12.058 -4.149 26.369 1.00 0.00 C +ATOM 4077 CE1 TYR H 228 10.736 -5.757 28.234 1.00 0.00 C +ATOM 4078 CE2 TYR H 228 10.851 -4.729 26.074 1.00 0.00 C +ATOM 4079 CZ TYR H 228 10.231 -5.609 26.961 1.00 0.00 C +ATOM 4080 OH TYR H 228 9.047 -6.146 26.572 1.00 0.00 O +ATOM 4081 H TYR H 228 15.109 -5.815 29.341 1.00 0.00 H +ATOM 4082 HA TYR H 228 15.245 -5.102 26.725 1.00 0.00 H +ATOM 4083 HB2 TYR H 228 14.058 -3.484 28.834 1.00 0.00 H +ATOM 4084 HB3 TYR H 228 14.183 -2.973 27.366 1.00 0.00 H +ATOM 4085 HD1 TYR H 228 12.345 -5.282 29.385 1.00 0.00 H +ATOM 4086 HD2 TYR H 228 12.490 -3.643 25.719 1.00 0.00 H +ATOM 4087 HE1 TYR H 228 10.276 -6.253 28.873 1.00 0.00 H +ATOM 4088 HE2 TYR H 228 10.437 -4.531 25.265 1.00 0.00 H +ATOM 4089 HH TYR H 228 8.902 -5.953 25.767 1.00 0.00 H +ATOM 4090 N THR H 229 17.209 -3.532 27.040 1.00 0.00 N +ATOM 4091 CA THR H 229 18.394 -2.698 27.332 1.00 0.00 C +ATOM 4092 C THR H 229 17.940 -1.412 28.020 1.00 0.00 C +ATOM 4093 O THR H 229 16.924 -0.781 27.676 1.00 0.00 O +ATOM 4094 CB THR H 229 19.213 -2.364 26.088 1.00 0.00 C +ATOM 4095 OG1 THR H 229 19.113 -3.494 25.199 1.00 0.00 O +ATOM 4096 CG2 THR H 229 20.682 -1.939 26.348 1.00 0.00 C +ATOM 4097 H THR H 229 17.035 -3.626 26.203 1.00 0.00 H +ATOM 4098 HA THR H 229 18.976 -3.212 27.914 1.00 0.00 H +ATOM 4099 HB THR H 229 18.839 -1.564 25.687 1.00 0.00 H +ATOM 4100 HG1 THR H 229 19.034 -3.222 24.408 1.00 0.00 H +ATOM 4101 HG21 THR H 229 21.118 -1.748 25.503 1.00 0.00 H +ATOM 4102 HG22 THR H 229 20.696 -1.145 26.905 1.00 0.00 H +ATOM 4103 HG23 THR H 229 21.152 -2.658 26.799 1.00 0.00 H +ATOM 4104 N HIS H 230 18.733 -1.083 29.044 1.00 0.00 N +ATOM 4105 CA HIS H 230 18.435 0.127 29.901 1.00 0.00 C +ATOM 4106 C HIS H 230 19.113 1.353 29.269 1.00 0.00 C +ATOM 4107 O HIS H 230 20.345 1.536 29.341 1.00 0.00 O +ATOM 4108 CB HIS H 230 18.883 -0.159 31.298 1.00 0.00 C +ATOM 4109 CG HIS H 230 18.456 0.804 32.335 1.00 0.00 C +ATOM 4110 ND1 HIS H 230 18.552 2.167 32.186 1.00 0.00 N +ATOM 4111 CD2 HIS H 230 18.064 0.560 33.608 1.00 0.00 C +ATOM 4112 CE1 HIS H 230 18.185 2.735 33.345 1.00 0.00 C +ATOM 4113 NE2 HIS H 230 17.837 1.784 34.199 1.00 0.00 N +ATOM 4114 H HIS H 230 19.437 -1.521 29.273 1.00 0.00 H +ATOM 4115 HA HIS H 230 17.486 0.323 29.945 1.00 0.00 H +ATOM 4116 HB2 HIS H 230 18.558 -1.038 31.547 1.00 0.00 H +ATOM 4117 HB3 HIS H 230 19.852 -0.202 31.304 1.00 0.00 H +ATOM 4118 HD1 HIS H 230 18.803 2.582 31.476 1.00 0.00 H +ATOM 4119 HD2 HIS H 230 17.967 -0.274 34.007 1.00 0.00 H +ATOM 4120 HE1 HIS H 230 18.176 3.648 33.520 1.00 0.00 H +ATOM 4121 HE2 HIS H 230 17.522 1.909 34.989 1.00 0.00 H +ATOM 4122 N VAL H 231 18.301 2.054 28.490 1.00 0.00 N +ATOM 4123 CA VAL H 231 18.696 3.183 27.640 1.00 0.00 C +ATOM 4124 C VAL H 231 19.396 4.280 28.428 1.00 0.00 C +ATOM 4125 O VAL H 231 20.554 4.635 28.060 1.00 0.00 O +ATOM 4126 CB VAL H 231 17.576 3.681 26.690 1.00 0.00 C +ATOM 4127 CG1 VAL H 231 18.022 4.909 25.901 1.00 0.00 C +ATOM 4128 CG2 VAL H 231 17.134 2.637 25.646 1.00 0.00 C +ATOM 4129 H VAL H 231 17.461 1.880 28.436 1.00 0.00 H +ATOM 4130 HA VAL H 231 19.366 2.839 27.029 1.00 0.00 H +ATOM 4131 HB VAL H 231 16.834 3.879 27.283 1.00 0.00 H +ATOM 4132 HG11 VAL H 231 17.303 5.197 25.317 1.00 0.00 H +ATOM 4133 HG12 VAL H 231 18.245 5.625 26.516 1.00 0.00 H +ATOM 4134 HG13 VAL H 231 18.801 4.686 25.368 1.00 0.00 H +ATOM 4135 HG21 VAL H 231 16.435 3.013 25.088 1.00 0.00 H +ATOM 4136 HG22 VAL H 231 17.892 2.392 25.093 1.00 0.00 H +ATOM 4137 HG23 VAL H 231 16.796 1.849 26.099 1.00 0.00 H +ATOM 4138 N PHE H 232 18.850 4.699 29.532 1.00 0.00 N +ATOM 4139 CA PHE H 232 19.513 5.759 30.311 1.00 0.00 C +ATOM 4140 C PHE H 232 20.907 5.389 30.743 1.00 0.00 C +ATOM 4141 O PHE H 232 21.882 6.151 30.645 1.00 0.00 O +ATOM 4142 CB PHE H 232 18.584 6.267 31.431 1.00 0.00 C +ATOM 4143 CG PHE H 232 19.320 7.421 32.144 1.00 0.00 C +ATOM 4144 CD1 PHE H 232 19.509 8.621 31.442 1.00 0.00 C +ATOM 4145 CD2 PHE H 232 19.914 7.188 33.380 1.00 0.00 C +ATOM 4146 CE1 PHE H 232 20.351 9.598 31.959 1.00 0.00 C +ATOM 4147 CE2 PHE H 232 20.734 8.194 33.930 1.00 0.00 C +ATOM 4148 CZ PHE H 232 20.887 9.413 33.236 1.00 0.00 C +ATOM 4149 H PHE H 232 18.112 4.405 29.861 1.00 0.00 H +ATOM 4150 HA PHE H 232 19.665 6.521 29.730 1.00 0.00 H +ATOM 4151 HB2 PHE H 232 17.740 6.574 31.064 1.00 0.00 H +ATOM 4152 HB3 PHE H 232 18.379 5.554 32.056 1.00 0.00 H +ATOM 4153 HD1 PHE H 232 19.072 8.762 30.633 1.00 0.00 H +ATOM 4154 HD2 PHE H 232 19.774 6.388 33.833 1.00 0.00 H +ATOM 4155 HE1 PHE H 232 20.554 10.360 31.465 1.00 0.00 H +ATOM 4156 HE2 PHE H 232 21.169 8.056 34.740 1.00 0.00 H +ATOM 4157 HZ PHE H 232 21.355 10.109 33.638 1.00 0.00 H +ATOM 4158 N ARG H 233 21.095 4.176 31.256 1.00 0.00 N +ATOM 4159 CA ARG H 233 22.358 3.649 31.741 1.00 0.00 C +ATOM 4160 C ARG H 233 23.430 3.677 30.684 1.00 0.00 C +ATOM 4161 O ARG H 233 24.639 3.674 31.000 1.00 0.00 O +ATOM 4162 CB ARG H 233 22.127 2.219 32.210 1.00 0.00 C +ATOM 4163 CG ARG H 233 21.948 2.021 33.719 1.00 0.00 C +ATOM 4164 CD ARG H 233 23.222 1.345 34.118 1.00 0.00 C +ATOM 4165 NE ARG H 233 23.668 1.636 35.468 1.00 0.00 N +ATOM 4166 CZ ARG H 233 24.904 1.189 35.799 1.00 0.00 C +ATOM 4167 NH1 ARG H 233 25.682 0.588 34.894 1.00 0.00 N +ATOM 4168 NH2 ARG H 233 25.243 1.128 37.093 1.00 0.00 N +ATOM 4169 H ARG H 233 20.451 3.611 31.333 1.00 0.00 H +ATOM 4170 HA ARG H 233 22.668 4.208 32.471 1.00 0.00 H +ATOM 4171 HB2 ARG H 233 21.338 1.875 31.762 1.00 0.00 H +ATOM 4172 HB3 ARG H 233 22.877 1.678 31.919 1.00 0.00 H +ATOM 4173 HG2 ARG H 233 21.829 2.865 34.181 1.00 0.00 H +ATOM 4174 HG3 ARG H 233 21.172 1.475 33.921 1.00 0.00 H +ATOM 4175 HD2 ARG H 233 23.106 0.386 34.029 1.00 0.00 H +ATOM 4176 HD3 ARG H 233 23.920 1.606 33.497 1.00 0.00 H +ATOM 4177 HE ARG H 233 23.176 2.067 36.026 1.00 0.00 H +ATOM 4178 HH11 ARG H 233 25.400 0.480 34.089 1.00 0.00 H +ATOM 4179 HH12 ARG H 233 26.464 0.309 35.117 1.00 0.00 H +ATOM 4180 HH21 ARG H 233 24.680 1.370 37.697 1.00 0.00 H +ATOM 4181 HH22 ARG H 233 26.023 0.847 37.320 1.00 0.00 H +ATOM 4182 N LEU H 234 23.045 3.628 29.408 1.00 0.00 N +ATOM 4183 CA LEU H 234 24.016 3.639 28.329 1.00 0.00 C +ATOM 4184 C LEU H 234 24.063 5.008 27.640 1.00 0.00 C +ATOM 4185 O LEU H 234 24.672 5.112 26.560 1.00 0.00 O +ATOM 4186 CB LEU H 234 23.733 2.486 27.297 1.00 0.00 C +ATOM 4187 CG LEU H 234 23.879 1.056 27.846 1.00 0.00 C +ATOM 4188 CD1 LEU H 234 23.056 0.098 26.984 1.00 0.00 C +ATOM 4189 CD2 LEU H 234 25.340 0.653 27.768 1.00 0.00 C +ATOM 4190 H LEU H 234 22.225 3.588 29.152 1.00 0.00 H +ATOM 4191 HA LEU H 234 24.890 3.476 28.716 1.00 0.00 H +ATOM 4192 HB2 LEU H 234 22.832 2.594 26.954 1.00 0.00 H +ATOM 4193 HB3 LEU H 234 24.337 2.590 26.545 1.00 0.00 H +ATOM 4194 HG LEU H 234 23.568 1.021 28.764 1.00 0.00 H +ATOM 4195 HD11 LEU H 234 23.146 -0.805 27.327 1.00 0.00 H +ATOM 4196 HD12 LEU H 234 22.123 0.361 27.008 1.00 0.00 H +ATOM 4197 HD13 LEU H 234 23.377 0.129 26.069 1.00 0.00 H +ATOM 4198 HD21 LEU H 234 25.446 -0.248 28.112 1.00 0.00 H +ATOM 4199 HD22 LEU H 234 25.635 0.683 26.845 1.00 0.00 H +ATOM 4200 HD23 LEU H 234 25.874 1.266 28.298 1.00 0.00 H +ATOM 4201 N LYS H 235 23.466 6.013 28.226 1.00 0.00 N +ATOM 4202 CA LYS H 235 23.353 7.319 27.575 1.00 0.00 C +ATOM 4203 C LYS H 235 24.638 8.044 27.272 1.00 0.00 C +ATOM 4204 O LYS H 235 24.741 8.793 26.260 1.00 0.00 O +ATOM 4205 CB LYS H 235 22.412 8.198 28.403 1.00 0.00 C +ATOM 4206 CG LYS H 235 21.356 8.768 27.433 1.00 0.00 C +ATOM 4207 CD LYS H 235 21.275 10.264 27.699 1.00 0.00 C +ATOM 4208 CE LYS H 235 20.802 10.993 26.427 1.00 0.00 C +ATOM 4209 NZ LYS H 235 20.159 12.267 26.955 1.00 0.00 N +ATOM 4210 H LYS H 235 23.112 5.973 29.009 1.00 0.00 H +ATOM 4211 HA LYS H 235 22.997 7.135 26.691 1.00 0.00 H +ATOM 4212 HB2 LYS H 235 21.989 7.680 29.106 1.00 0.00 H +ATOM 4213 HB3 LYS H 235 22.903 8.914 28.835 1.00 0.00 H +ATOM 4214 HG2 LYS H 235 21.607 8.596 26.512 1.00 0.00 H +ATOM 4215 HG3 LYS H 235 20.494 8.346 27.576 1.00 0.00 H +ATOM 4216 HD2 LYS H 235 20.661 10.439 28.430 1.00 0.00 H +ATOM 4217 HD3 LYS H 235 22.143 10.600 27.971 1.00 0.00 H +ATOM 4218 HE2 LYS H 235 21.543 11.189 25.833 1.00 0.00 H +ATOM 4219 HE3 LYS H 235 20.169 10.457 25.924 1.00 0.00 H +ATOM 4220 HZ1 LYS H 235 19.754 12.694 26.287 1.00 0.00 H +ATOM 4221 HZ2 LYS H 235 19.561 12.061 27.581 1.00 0.00 H +ATOM 4222 HZ3 LYS H 235 20.786 12.792 27.306 1.00 0.00 H +ATOM 4223 N LYS H 236 25.632 7.855 28.099 1.00 0.00 N +ATOM 4224 CA LYS H 236 26.947 8.537 27.958 1.00 0.00 C +ATOM 4225 C LYS H 236 27.575 8.071 26.665 1.00 0.00 C +ATOM 4226 O LYS H 236 28.261 8.865 25.958 1.00 0.00 O +ATOM 4227 H LYS H 236 25.588 7.325 28.775 1.00 0.00 H +ATOM 4228 N TRP H 237 27.371 6.810 26.324 1.00 0.00 N +ATOM 4229 CA TRP H 237 27.999 6.254 25.107 1.00 0.00 C +ATOM 4230 C TRP H 237 27.308 6.861 23.914 1.00 0.00 C +ATOM 4231 O TRP H 237 27.930 7.096 22.887 1.00 0.00 O +ATOM 4232 CB TRP H 237 27.863 4.703 25.143 1.00 0.00 C +ATOM 4233 CG TRP H 237 28.308 4.121 23.855 1.00 0.00 C +ATOM 4234 CD1 TRP H 237 29.605 4.012 23.413 1.00 0.00 C +ATOM 4235 CD2 TRP H 237 27.463 3.707 22.756 1.00 0.00 C +ATOM 4236 NE1 TRP H 237 29.602 3.458 22.150 1.00 0.00 N +ATOM 4237 CE2 TRP H 237 28.302 3.267 21.732 1.00 0.00 C +ATOM 4238 CE3 TRP H 237 26.067 3.583 22.628 1.00 0.00 C +ATOM 4239 CZ2 TRP H 237 27.852 2.727 20.531 1.00 0.00 C +ATOM 4240 CZ3 TRP H 237 25.617 3.097 21.424 1.00 0.00 C +ATOM 4241 CH2 TRP H 237 26.476 2.631 20.422 1.00 0.00 C +ATOM 4242 H TRP H 237 26.883 6.257 26.767 1.00 0.00 H +ATOM 4243 HA TRP H 237 28.944 6.465 25.054 1.00 0.00 H +ATOM 4244 HB2 TRP H 237 28.394 4.342 25.870 1.00 0.00 H +ATOM 4245 HB3 TRP H 237 26.941 4.456 25.316 1.00 0.00 H +ATOM 4246 HD1 TRP H 237 30.362 4.270 23.888 1.00 0.00 H +ATOM 4247 HE1 TRP H 237 30.304 3.262 21.693 1.00 0.00 H +ATOM 4248 HE3 TRP H 237 25.485 3.815 23.315 1.00 0.00 H +ATOM 4249 HZ2 TRP H 237 28.430 2.453 19.856 1.00 0.00 H +ATOM 4250 HZ3 TRP H 237 24.700 3.077 21.268 1.00 0.00 H +ATOM 4251 HH2 TRP H 237 26.110 2.245 19.659 1.00 0.00 H +ATOM 4252 N ILE H 238 25.982 6.927 23.998 1.00 0.00 N +ATOM 4253 CA ILE H 238 25.188 7.512 22.896 1.00 0.00 C +ATOM 4254 C ILE H 238 25.669 8.935 22.579 1.00 0.00 C +ATOM 4255 O ILE H 238 25.936 9.268 21.425 1.00 0.00 O +ATOM 4256 CB ILE H 238 23.659 7.437 23.254 1.00 0.00 C +ATOM 4257 CG1 ILE H 238 23.194 5.945 23.414 1.00 0.00 C +ATOM 4258 CG2 ILE H 238 22.731 8.153 22.261 1.00 0.00 C +ATOM 4259 CD1 ILE H 238 21.666 5.889 23.653 1.00 0.00 C +ATOM 4260 H ILE H 238 25.521 6.647 24.668 1.00 0.00 H +ATOM 4261 HA ILE H 238 25.318 6.999 22.083 1.00 0.00 H +ATOM 4262 HB ILE H 238 23.580 7.912 24.096 1.00 0.00 H +ATOM 4263 HG12 ILE H 238 23.423 5.440 22.618 1.00 0.00 H +ATOM 4264 HG13 ILE H 238 23.660 5.531 24.157 1.00 0.00 H +ATOM 4265 HG21 ILE H 238 21.811 8.060 22.553 1.00 0.00 H +ATOM 4266 HG22 ILE H 238 22.963 9.094 22.221 1.00 0.00 H +ATOM 4267 HG23 ILE H 238 22.832 7.758 21.381 1.00 0.00 H +ATOM 4268 HD11 ILE H 238 21.387 4.965 23.751 1.00 0.00 H +ATOM 4269 HD12 ILE H 238 21.446 6.380 24.460 1.00 0.00 H +ATOM 4270 HD13 ILE H 238 21.205 6.287 22.898 1.00 0.00 H +ATOM 4271 N GLN H 239 25.782 9.783 23.583 1.00 0.00 N +ATOM 4272 CA GLN H 239 26.196 11.217 23.456 1.00 0.00 C +ATOM 4273 C GLN H 239 27.535 11.262 22.699 1.00 0.00 C +ATOM 4274 O GLN H 239 27.706 11.825 21.638 1.00 0.00 O +ATOM 4275 CB GLN H 239 26.417 11.876 24.801 1.00 0.00 C +ATOM 4276 CG GLN H 239 25.191 12.314 25.571 1.00 0.00 C +ATOM 4277 CD GLN H 239 25.527 12.773 26.992 1.00 0.00 C +ATOM 4278 OE1 GLN H 239 24.604 12.979 27.824 1.00 0.00 O +ATOM 4279 NE2 GLN H 239 26.853 12.910 27.255 1.00 0.00 N +ATOM 4280 H GLN H 239 25.619 9.554 24.396 1.00 0.00 H +ATOM 4281 HA GLN H 239 25.486 11.690 22.994 1.00 0.00 H +ATOM 4282 HB2 GLN H 239 26.917 11.259 25.359 1.00 0.00 H +ATOM 4283 HB3 GLN H 239 26.979 12.654 24.665 1.00 0.00 H +ATOM 4284 HG2 GLN H 239 24.755 13.038 25.095 1.00 0.00 H +ATOM 4285 HG3 GLN H 239 24.559 11.580 25.612 1.00 0.00 H +ATOM 4286 HE21 GLN H 239 27.432 12.753 26.639 1.00 0.00 H +ATOM 4287 HE22 GLN H 239 27.113 13.154 28.038 1.00 0.00 H +ATOM 4288 N LYS H 240 28.488 10.647 23.372 1.00 0.00 N +ATOM 4289 CA LYS H 240 29.826 10.465 22.871 1.00 0.00 C +ATOM 4290 C LYS H 240 29.865 10.154 21.391 1.00 0.00 C +ATOM 4291 O LYS H 240 30.731 10.822 20.724 1.00 0.00 O +ATOM 4292 CB LYS H 240 30.575 9.437 23.725 1.00 0.00 C +ATOM 4293 CG LYS H 240 31.873 9.043 23.027 1.00 0.00 C +ATOM 4294 CD LYS H 240 33.010 8.650 23.964 1.00 0.00 C +ATOM 4295 CE LYS H 240 34.350 9.120 23.363 1.00 0.00 C +ATOM 4296 NZ LYS H 240 34.441 8.724 21.905 1.00 0.00 N +ATOM 4297 H LYS H 240 28.367 10.315 24.156 1.00 0.00 H +ATOM 4298 HA LYS H 240 30.293 11.311 22.953 1.00 0.00 H +ATOM 4299 HB2 LYS H 240 30.767 9.808 24.600 1.00 0.00 H +ATOM 4300 HB3 LYS H 240 30.021 8.653 23.865 1.00 0.00 H +ATOM 4301 HG2 LYS H 240 31.692 8.300 22.430 1.00 0.00 H +ATOM 4302 HG3 LYS H 240 32.167 9.785 22.476 1.00 0.00 H +ATOM 4303 HD2 LYS H 240 32.877 9.051 24.837 1.00 0.00 H +ATOM 4304 HD3 LYS H 240 33.020 7.689 24.092 1.00 0.00 H +ATOM 4305 HE2 LYS H 240 34.430 10.083 23.448 1.00 0.00 H +ATOM 4306 HE3 LYS H 240 35.088 8.729 23.857 1.00 0.00 H +ATOM 4307 HZ1 LYS H 240 35.260 8.422 21.730 1.00 0.00 H +ATOM 4308 HZ2 LYS H 240 33.846 8.084 21.733 1.00 0.00 H +ATOM 4309 HZ3 LYS H 240 34.270 9.432 21.394 1.00 0.00 H +ATOM 4310 N VAL H 241 29.055 9.292 20.794 1.00 0.00 N +ATOM 4311 CA VAL H 241 29.107 9.002 19.366 1.00 0.00 C +ATOM 4312 C VAL H 241 28.435 10.056 18.486 1.00 0.00 C +ATOM 4313 O VAL H 241 28.934 10.280 17.351 1.00 0.00 O +ATOM 4314 CB VAL H 241 28.702 7.593 18.926 1.00 0.00 C +ATOM 4315 CG1 VAL H 241 28.137 6.700 20.020 1.00 0.00 C +ATOM 4316 CG2 VAL H 241 27.780 7.598 17.697 1.00 0.00 C +ATOM 4317 H VAL H 241 28.448 8.850 21.213 1.00 0.00 H +ATOM 4318 HA VAL H 241 30.064 9.044 19.216 1.00 0.00 H +ATOM 4319 HB VAL H 241 29.549 7.190 18.678 1.00 0.00 H +ATOM 4320 HG11 VAL H 241 27.911 5.834 19.646 1.00 0.00 H +ATOM 4321 HG12 VAL H 241 28.799 6.587 20.720 1.00 0.00 H +ATOM 4322 HG13 VAL H 241 27.340 7.109 20.392 1.00 0.00 H +ATOM 4323 HG21 VAL H 241 27.553 6.686 17.459 1.00 0.00 H +ATOM 4324 HG22 VAL H 241 26.969 8.089 17.902 1.00 0.00 H +ATOM 4325 HG23 VAL H 241 28.235 8.022 16.953 1.00 0.00 H +ATOM 4326 N ILE H 242 27.280 10.544 18.862 1.00 0.00 N +ATOM 4327 CA ILE H 242 26.584 11.571 18.069 1.00 0.00 C +ATOM 4328 C ILE H 242 27.424 12.854 18.005 1.00 0.00 C +ATOM 4329 O ILE H 242 27.423 13.566 17.001 1.00 0.00 O +ATOM 4330 CB ILE H 242 25.140 11.777 18.604 1.00 0.00 C +ATOM 4331 CG1 ILE H 242 24.292 10.568 18.115 1.00 0.00 C +ATOM 4332 CG2 ILE H 242 24.545 13.120 18.103 1.00 0.00 C +ATOM 4333 CD1 ILE H 242 23.111 10.262 19.070 1.00 0.00 C +ATOM 4334 H ILE H 242 26.865 10.303 19.576 1.00 0.00 H +ATOM 4335 HA ILE H 242 26.485 11.275 17.151 1.00 0.00 H +ATOM 4336 HB ILE H 242 25.139 11.821 19.573 1.00 0.00 H +ATOM 4337 HG12 ILE H 242 23.949 10.753 17.227 1.00 0.00 H +ATOM 4338 HG13 ILE H 242 24.859 9.785 18.042 1.00 0.00 H +ATOM 4339 HG21 ILE H 242 23.645 13.225 18.450 1.00 0.00 H +ATOM 4340 HG22 ILE H 242 25.098 13.855 18.412 1.00 0.00 H +ATOM 4341 HG23 ILE H 242 24.519 13.121 17.133 1.00 0.00 H +ATOM 4342 HD11 ILE H 242 22.609 9.505 18.731 1.00 0.00 H +ATOM 4343 HD12 ILE H 242 23.454 10.053 19.953 1.00 0.00 H +ATOM 4344 HD13 ILE H 242 22.530 11.037 19.125 1.00 0.00 H +ATOM 4345 N ASP H 243 28.201 13.089 19.046 1.00 0.00 N +ATOM 4346 CA ASP H 243 29.111 14.215 19.153 1.00 0.00 C +ATOM 4347 C ASP H 243 30.220 14.112 18.107 1.00 0.00 C +ATOM 4348 O ASP H 243 30.378 14.919 17.172 1.00 0.00 O +ATOM 4349 CB ASP H 243 29.687 14.334 20.569 1.00 0.00 C +ATOM 4350 CG ASP H 243 28.797 15.207 21.445 1.00 0.00 C +ATOM 4351 OD1 ASP H 243 27.759 15.709 20.893 1.00 0.00 O +ATOM 4352 OD2 ASP H 243 29.095 15.413 22.654 1.00 0.00 O +ATOM 4353 H ASP H 243 28.214 12.578 19.737 1.00 0.00 H +ATOM 4354 HA ASP H 243 28.608 15.026 18.978 1.00 0.00 H +ATOM 4355 HB2 ASP H 243 29.771 13.452 20.964 1.00 0.00 H +ATOM 4356 HB3 ASP H 243 30.579 14.712 20.529 1.00 0.00 H +ATOM 4357 N GLN H 244 31.019 13.096 18.303 1.00 0.00 N +ATOM 4358 CA GLN H 244 32.209 12.743 17.540 1.00 0.00 C +ATOM 4359 C GLN H 244 31.928 12.371 16.110 1.00 0.00 C +ATOM 4360 O GLN H 244 32.786 12.687 15.218 1.00 0.00 O +ATOM 4361 CB GLN H 244 32.996 11.710 18.342 1.00 0.00 C +ATOM 4362 CG GLN H 244 33.736 10.668 17.562 1.00 0.00 C +ATOM 4363 CD GLN H 244 34.685 9.867 18.441 1.00 0.00 C +ATOM 4364 OE1 GLN H 244 34.546 9.831 19.677 1.00 0.00 O +ATOM 4365 NE2 GLN H 244 35.699 9.270 17.810 1.00 0.00 N +ATOM 4366 H GLN H 244 30.875 12.538 18.941 1.00 0.00 H +ATOM 4367 HA GLN H 244 32.770 13.526 17.427 1.00 0.00 H +ATOM 4368 HB2 GLN H 244 33.636 12.182 18.897 1.00 0.00 H +ATOM 4369 HB3 GLN H 244 32.380 11.259 18.940 1.00 0.00 H +ATOM 4370 HG2 GLN H 244 33.101 10.067 17.142 1.00 0.00 H +ATOM 4371 HG3 GLN H 244 34.238 11.094 16.849 1.00 0.00 H +ATOM 4372 HE21 GLN H 244 35.760 9.318 16.954 1.00 0.00 H +ATOM 4373 HE22 GLN H 244 36.291 8.838 18.260 1.00 0.00 H +ATOM 4374 N PHE H 245 30.734 11.876 15.790 1.00 0.00 N +ATOM 4375 CA PHE H 245 30.518 11.435 14.399 1.00 0.00 C +ATOM 4376 C PHE H 245 29.464 12.110 13.579 1.00 0.00 C +ATOM 4377 O PHE H 245 29.034 11.534 12.538 1.00 0.00 O +ATOM 4378 CB PHE H 245 30.395 9.900 14.414 1.00 0.00 C +ATOM 4379 CG PHE H 245 31.642 9.238 14.938 1.00 0.00 C +ATOM 4380 CD1 PHE H 245 32.830 9.302 14.211 1.00 0.00 C +ATOM 4381 CD2 PHE H 245 31.607 8.592 16.176 1.00 0.00 C +ATOM 4382 CE1 PHE H 245 33.982 8.689 14.719 1.00 0.00 C +ATOM 4383 CE2 PHE H 245 32.736 7.988 16.722 1.00 0.00 C +ATOM 4384 CZ PHE H 245 33.926 8.051 15.978 1.00 0.00 C +ATOM 4385 H PHE H 245 30.066 11.787 16.324 1.00 0.00 H +ATOM 4386 HA PHE H 245 31.297 11.736 13.905 1.00 0.00 H +ATOM 4387 HB2 PHE H 245 29.638 9.643 14.963 1.00 0.00 H +ATOM 4388 HB3 PHE H 245 30.214 9.582 13.515 1.00 0.00 H +ATOM 4389 HD1 PHE H 245 32.857 9.748 13.395 1.00 0.00 H +ATOM 4390 HD2 PHE H 245 30.807 8.565 16.649 1.00 0.00 H +ATOM 4391 HE1 PHE H 245 34.775 8.702 14.233 1.00 0.00 H +ATOM 4392 HE2 PHE H 245 32.704 7.560 17.547 1.00 0.00 H +ATOM 4393 HZ PHE H 245 34.697 7.662 16.323 1.00 0.00 H +ATOM 4394 N GLY H 246 29.185 13.353 13.841 1.00 0.00 N +ATOM 4395 CA GLY H 246 28.158 14.129 13.044 1.00 0.00 C +ATOM 4396 C GLY H 246 26.856 13.814 13.801 1.00 0.00 C +ATOM 4397 O GLY H 246 27.184 13.248 14.913 1.00 0.00 O +ATOM 4398 H GLY H 246 29.558 13.804 14.471 1.00 0.00 H +ATOM 4399 HA2 GLY H 246 28.350 15.080 13.033 1.00 0.00 H +ATOM 4400 HA3 GLY H 246 28.120 13.837 12.120 1.00 0.00 H +TER 4401 GLY H 246 +END diff --git a/examples/1cbr_ligand.sdf b/examples/1cbr_ligand.sdf new file mode 100644 index 0000000000000000000000000000000000000000..e8fce1ed1b3703500e5c0acc7e8d7371aef97376 --- /dev/null +++ b/examples/1cbr_ligand.sdf @@ -0,0 +1,119 @@ +1cbr_ligand + +Created by X-TOOL on Fri Nov 18 12:01:53 2016 + 49 49 0 0 0 0 0 0 0 0999 V2000 + 5.0920 2.4270 -10.7940 C 0 0 0 1 0 4 + 6.0790 1.2390 -10.8790 C 0 0 0 3 0 4 + 7.4570 1.5880 -11.3400 C 0 0 0 3 0 4 + 8.1090 2.6160 -10.4790 C 0 0 0 3 0 4 + 7.1710 3.7700 -10.1040 C 0 0 0 1 0 3 + 5.8090 3.6640 -10.1590 C 0 0 0 1 0 3 + 4.8670 4.7410 -9.7870 C 0 0 0 2 0 3 + 5.0090 5.6850 -8.8490 C 0 0 0 2 0 3 + 4.0490 6.7120 -8.5120 C 0 0 0 1 0 3 + 4.3830 7.6020 -7.5550 C 0 0 0 2 0 3 + 3.5130 8.6700 -7.1050 C 0 0 0 2 0 3 + 3.9620 9.5090 -6.1670 C 0 0 0 2 0 3 + 3.1640 10.5920 -5.6370 C 0 0 0 1 0 3 + 3.7030 11.3990 -4.6890 C 0 0 0 2 0 3 + 3.0710 12.5430 -4.0160 C 0 5 0 1 0 3 + 3.9070 2.0000 -9.9190 C 0 0 0 4 0 4 + 4.5820 2.7980 -12.2130 C 0 0 0 4 0 4 + 7.9800 4.9390 -9.5360 C 0 0 0 4 0 4 + 2.7160 6.8010 -9.2660 C 0 0 0 4 0 4 + 1.7300 10.7780 -6.1620 C 0 0 0 4 0 4 + 2.5240 13.4330 -4.7040 O 0 0 0 1 0 1 + 3.0900 12.6020 -2.7660 O 0 0 0 1 0 1 + 5.6628 0.5003 -11.5797 H 0 0 0 1 0 1 + 6.1586 0.7905 -9.8778 H 0 0 0 1 0 1 + 7.3965 1.9765 -12.3673 H 0 0 0 1 0 1 + 8.0733 0.6769 -11.3282 H 0 0 0 1 0 1 + 8.9730 3.0290 -11.0202 H 0 0 0 1 0 1 + 8.4536 2.1305 -9.5541 H 0 0 0 1 0 1 + 3.9353 4.7700 -10.3501 H 0 0 0 1 0 1 + 5.9398 5.6789 -8.2837 H 0 0 0 1 0 1 + 5.3651 7.5126 -7.0930 H 0 0 0 1 0 1 + 2.5140 8.7864 -7.5226 H 0 0 0 1 0 1 + 4.9725 9.3712 -5.7852 H 0 0 0 1 0 1 + 4.7256 11.1723 -4.3911 H 0 0 0 1 0 1 + 3.1893 2.8302 -9.8432 H 0 0 0 1 0 1 + 4.2693 1.7357 -8.9146 H 0 0 0 1 0 1 + 3.4124 1.1280 -10.3717 H 0 0 0 1 0 1 + 5.4325 3.1041 -12.8399 H 0 0 0 1 0 1 + 3.8636 3.6277 -12.1392 H 0 0 0 1 0 1 + 4.0887 1.9250 -12.6652 H 0 0 0 1 0 1 + 7.2992 5.7611 -9.2702 H 0 0 0 1 0 1 + 8.6994 5.2884 -10.2913 H 0 0 0 1 0 1 + 8.5226 4.6076 -8.6384 H 0 0 0 1 0 1 + 2.6523 5.9808 -9.9962 H 0 0 0 1 0 1 + 2.6558 7.7653 -9.7917 H 0 0 0 1 0 1 + 1.8841 6.7206 -8.5508 H 0 0 0 1 0 1 + 1.5151 10.0113 -6.9209 H 0 0 0 1 0 1 + 1.6308 11.7769 -6.6117 H 0 0 0 1 0 1 + 1.0187 10.6787 -5.3288 H 0 0 0 1 0 1 + 1 2 1 0 0 1 + 1 6 1 0 0 1 + 1 16 1 0 0 2 + 1 17 1 0 0 2 + 2 3 1 0 0 1 + 3 4 1 0 0 1 + 4 5 1 0 0 1 + 5 6 2 0 0 1 + 5 18 1 0 0 2 + 6 7 1 0 0 2 + 7 8 2 0 0 2 + 8 9 1 0 0 2 + 9 10 2 0 0 2 + 9 19 1 0 0 2 + 10 11 1 0 0 2 + 11 12 2 0 0 2 + 12 13 1 0 0 2 + 13 14 2 0 0 2 + 13 20 1 0 0 2 + 14 15 1 0 0 2 + 15 21 2 0 0 2 + 15 22 2 0 0 2 + 2 23 1 0 0 2 + 2 24 1 0 0 2 + 3 25 1 0 0 2 + 3 26 1 0 0 2 + 4 27 1 0 0 2 + 4 28 1 0 0 2 + 7 29 1 0 0 2 + 8 30 1 0 0 2 + 10 31 1 0 0 2 + 11 32 1 0 0 2 + 12 33 1 0 0 2 + 14 34 1 0 0 2 + 16 35 1 0 0 2 + 16 36 1 0 0 2 + 16 37 1 0 0 2 + 17 38 1 0 0 2 + 17 39 1 0 0 2 + 17 40 1 0 0 2 + 18 41 1 0 0 2 + 18 42 1 0 0 2 + 18 43 1 0 0 2 + 19 44 1 0 0 2 + 19 45 1 0 0 2 + 19 46 1 0 0 2 + 20 47 1 0 0 2 + 20 48 1 0 0 2 + 20 49 1 0 0 2 +M END +> +C20H27O2 + +> +299.2 + +> +2 + +> +0 + +> +3.40 + +$$$$ diff --git a/examples/1cbr_protein.pdb b/examples/1cbr_protein.pdb new file mode 100644 index 0000000000000000000000000000000000000000..660dacaebdf2ab93439d72f7680360debdb2d1f1 --- /dev/null +++ b/examples/1cbr_protein.pdb @@ -0,0 +1,4328 @@ +HEADER 1CBR_PROTEIN +COMPND 1CBR_PROTEIN +REMARK GENERATED BY X-TOOL on Fri Aug 15 17:04:55 2014 +SEQRES 1 A 136 PRO ASN PHE ALA GLY THR TRP LYS MET ARG SER SER GLU +SEQRES 2 A 136 ASN PHE ASP GLU LEU LEU LYS ALA LEU GLY VAL ASN ALA +SEQRES 3 A 136 MET LEU ARG LYS VAL ALA VAL ALA ALA ALA SER LYS PRO +SEQRES 4 A 136 HIS VAL GLU ILE ARG GLN ASP GLY ASP GLN PHE TYR ILE +SEQRES 5 A 136 LYS THR SER THR THR VAL ARG THR THR GLU ILE ASN PHE +SEQRES 6 A 136 LYS VAL GLY GLU GLY PHE GLU GLU GLU THR VAL ASP GLY +SEQRES 7 A 136 ARG LYS CYS ARG SER LEU PRO THR TRP GLU ASN GLU ASN +SEQRES 8 A 136 LYS ILE HIS CYS THR GLN THR LEU LEU GLU GLY ASP GLY +SEQRES 9 A 136 PRO LYS THR TYR TRP THR ARG GLU LEU ALA ASN ASP GLU +SEQRES 10 A 136 LEU ILE LEU THR PHE GLY ALA ASP ASP VAL VAL CYS THR +SEQRES 11 A 136 ARG ILE TYR VAL ARG GLU +SEQRES 1 B 136 PRO ASN PHE ALA GLY THR TRP LYS MET ARG SER SER GLU +SEQRES 2 B 136 ASN PHE ASP GLU LEU LEU LYS ALA LEU GLY VAL ASN ALA +SEQRES 3 B 136 MET LEU ARG LYS VAL ALA VAL ALA ALA ALA SER LYS PRO +SEQRES 4 B 136 HIS VAL GLU ILE ARG GLN ASP GLY ASP GLN PHE TYR ILE +SEQRES 5 B 136 LYS THR SER THR THR VAL ARG THR THR GLU ILE ASN PHE +SEQRES 6 B 136 LYS VAL GLY GLU GLY PHE GLU GLU GLU THR VAL ASP GLY +SEQRES 7 B 136 ARG LYS CYS ARG SER LEU PRO THR TRP GLU ASN GLU ASN +SEQRES 8 B 136 LYS ILE HIS CYS THR GLN THR LEU LEU GLU GLY ASP GLY +SEQRES 9 B 136 PRO LYS THR TYR TRP THR ARG GLU LEU ALA ASN ASP GLU +SEQRES 10 B 136 LEU ILE LEU THR PHE GLY ALA ASP ASP VAL VAL CYS THR +SEQRES 11 B 136 ARG ILE TYR VAL ARG GLU +ATOM 1 N PRO A 1 1.231 22.154 13.775 1.00159.43 N +ATOM 2 HN1 PRO A 1 1.588 22.738 14.559 1.00 0.00 H +ATOM 3 HN2 PRO A 1 0.676 21.362 14.159 1.00 0.00 H +ATOM 4 CA PRO A 1 0.378 22.977 12.889 1.00159.43 C +ATOM 5 HA PRO A 1 -0.038 23.847 13.397 1.00 0.00 H +ATOM 6 C PRO A 1 -0.749 22.074 12.395 1.00159.43 C +ATOM 7 O PRO A 1 -0.968 21.006 12.967 1.00159.43 O +ATOM 8 CB PRO A 1 1.237 23.445 11.723 1.00 43.83 C +ATOM 9 HB1 PRO A 1 0.822 23.109 10.773 1.00 0.00 H +ATOM 10 HB2 PRO A 1 1.326 24.531 11.715 1.00 0.00 H +ATOM 11 CG PRO A 1 2.613 22.775 11.997 1.00 43.83 C +ATOM 12 HG1 PRO A 1 3.030 22.383 11.069 1.00 0.00 H +ATOM 13 HG2 PRO A 1 3.304 23.500 12.427 1.00 0.00 H +ATOM 14 CD PRO A 1 2.365 21.631 12.989 1.00 43.83 C +ATOM 15 HD1 PRO A 1 3.237 21.455 13.619 1.00 0.00 H +ATOM 16 HD2 PRO A 1 2.099 20.708 12.473 1.00 0.00 H +ATOM 17 N ASN A 2 -1.447 22.465 11.329 1.00 65.35 N +ATOM 18 H ASN A 2 -1.218 23.361 10.853 1.00 0.00 H +ATOM 19 CA ASN A 2 -2.534 21.627 10.835 1.00 65.35 C +ATOM 20 HA ASN A 2 -2.434 20.731 11.448 1.00 0.00 H +ATOM 21 C ASN A 2 -2.436 21.103 9.404 1.00 65.35 C +ATOM 22 O ASN A 2 -2.995 21.687 8.483 1.00 65.35 O +ATOM 23 CB ASN A 2 -3.882 22.307 11.041 1.00 75.30 C +ATOM 24 HB1 ASN A 2 -3.880 22.806 12.010 1.00 0.00 H +ATOM 25 HB2 ASN A 2 -4.027 23.047 10.253 1.00 0.00 H +ATOM 26 CG ASN A 2 -5.029 21.322 11.002 1.00 75.30 C +ATOM 27 OD1 ASN A 2 -4.928 20.218 11.550 1.00 75.30 O +ATOM 28 ND2 ASN A 2 -6.118 21.702 10.342 1.00 75.30 N +ATOM 29 1HD2 ASN A 2 -6.933 21.060 10.270 1.00 0.00 H +ATOM 30 2HD2 ASN A 2 -6.155 22.641 9.897 1.00 0.00 H +ATOM 31 N PHE A 3 -1.732 19.986 9.240 1.00 32.67 N +ATOM 32 H PHE A 3 -1.281 19.552 10.071 1.00 0.00 H +ATOM 33 CA PHE A 3 -1.570 19.352 7.947 1.00 32.67 C +ATOM 34 HA PHE A 3 -1.431 20.134 7.200 1.00 0.00 H +ATOM 35 C PHE A 3 -2.793 18.489 7.674 1.00 32.67 C +ATOM 36 O PHE A 3 -2.879 17.846 6.629 1.00 32.67 O +ATOM 37 CB PHE A 3 -0.378 18.402 7.957 1.00 26.86 C +ATOM 38 HB1 PHE A 3 -0.510 17.702 8.783 1.00 0.00 H +ATOM 39 HB2 PHE A 3 -0.374 17.854 7.015 1.00 0.00 H +ATOM 40 CG PHE A 3 0.950 19.060 8.115 1.00 26.86 C +ATOM 41 CD1 PHE A 3 1.378 19.513 9.353 1.00 26.86 C +ATOM 42 HD1 PHE A 3 0.695 19.480 10.202 1.00 0.00 H +ATOM 43 CD2 PHE A 3 1.826 19.122 7.050 1.00 26.86 C +ATOM 44 HD2 PHE A 3 1.503 18.779 6.067 1.00 0.00 H +ATOM 45 CE1 PHE A 3 2.666 20.009 9.528 1.00 26.86 C +ATOM 46 HE1 PHE A 3 2.986 20.358 10.510 1.00 0.00 H +ATOM 47 CE2 PHE A 3 3.116 19.617 7.216 1.00 26.86 C +ATOM 48 HE2 PHE A 3 3.797 19.657 6.366 1.00 0.00 H +ATOM 49 CZ PHE A 3 3.537 20.060 8.464 1.00 26.86 C +ATOM 50 HZ PHE A 3 4.548 20.444 8.599 1.00 0.00 H +ATOM 51 N ALA A 4 -3.715 18.425 8.624 1.00 30.03 N +ATOM 52 H ALA A 4 -3.598 18.984 9.493 1.00 0.00 H +ATOM 53 CA ALA A 4 -4.891 17.579 8.464 1.00 30.03 C +ATOM 54 HA ALA A 4 -4.518 16.640 8.055 1.00 0.00 H +ATOM 55 C ALA A 4 -5.910 18.076 7.451 1.00 30.03 C +ATOM 56 O ALA A 4 -6.317 19.244 7.484 1.00 30.03 O +ATOM 57 CB ALA A 4 -5.558 17.352 9.815 1.00 78.08 C +ATOM 58 HB1 ALA A 4 -4.854 16.864 10.489 1.00 0.00 H +ATOM 59 HB2 ALA A 4 -5.860 18.311 10.235 1.00 0.00 H +ATOM 60 HB3 ALA A 4 -6.435 16.719 9.684 1.00 0.00 H +ATOM 61 N GLY A 5 -6.328 17.175 6.566 1.00 58.55 N +ATOM 62 H GLY A 5 -5.942 16.210 6.602 1.00 0.00 H +ATOM 63 CA GLY A 5 -7.311 17.509 5.552 1.00 58.55 C +ATOM 64 HA1 GLY A 5 -8.307 17.277 5.928 1.00 0.00 H +ATOM 65 HA2 GLY A 5 -7.247 18.574 5.328 1.00 0.00 H +ATOM 66 C GLY A 5 -7.060 16.719 4.289 1.00 58.55 C +ATOM 67 O GLY A 5 -6.163 15.873 4.270 1.00 58.55 O +ATOM 68 N THR A 6 -7.890 16.937 3.266 1.00 69.36 N +ATOM 69 H THR A 6 -8.675 17.607 3.395 1.00 0.00 H +ATOM 70 CA THR A 6 -7.741 16.270 1.968 1.00 69.36 C +ATOM 71 HA THR A 6 -7.108 15.390 2.085 1.00 0.00 H +ATOM 72 C THR A 6 -7.122 17.278 1.010 1.00 69.36 C +ATOM 73 O THR A 6 -7.623 18.389 0.856 1.00 69.36 O +ATOM 74 CB THR A 6 -9.080 15.771 1.415 1.00 58.02 C +ATOM 75 HB THR A 6 -8.934 15.452 0.383 1.00 0.00 H +ATOM 76 OG1 THR A 6 -10.051 16.824 1.458 1.00 58.02 O +ATOM 77 HG1 THR A 6 -9.735 17.585 0.910 1.00 0.00 H +ATOM 78 CG2 THR A 6 -9.575 14.609 2.237 1.00 58.02 C +ATOM 79 1HG2 THR A 6 -9.722 14.931 3.268 1.00 0.00 H +ATOM 80 2HG2 THR A 6 -10.521 14.253 1.828 1.00 0.00 H +ATOM 81 3HG2 THR A 6 -8.839 13.805 2.207 1.00 0.00 H +ATOM 82 N TRP A 7 -6.019 16.890 0.385 1.00 38.89 N +ATOM 83 H TRP A 7 -5.664 15.925 0.539 1.00 0.00 H +ATOM 84 CA TRP A 7 -5.293 17.773 -0.508 1.00 38.89 C +ATOM 85 HA TRP A 7 -5.791 18.741 -0.462 1.00 0.00 H +ATOM 86 C TRP A 7 -5.334 17.351 -1.974 1.00 38.89 C +ATOM 87 O TRP A 7 -5.546 16.176 -2.289 1.00 38.89 O +ATOM 88 CB TRP A 7 -3.828 17.872 -0.036 1.00 37.95 C +ATOM 89 HB1 TRP A 7 -3.355 16.899 -0.173 1.00 0.00 H +ATOM 90 HB2 TRP A 7 -3.317 18.613 -0.651 1.00 0.00 H +ATOM 91 CG TRP A 7 -3.684 18.275 1.418 1.00 37.95 C +ATOM 92 CD1 TRP A 7 -3.880 17.483 2.516 1.00 37.95 C +ATOM 93 HD1 TRP A 7 -4.150 16.427 2.483 1.00 0.00 H +ATOM 94 CD2 TRP A 7 -3.343 19.571 1.924 1.00 37.95 C +ATOM 95 NE1 TRP A 7 -3.689 18.206 3.663 1.00 37.95 N +ATOM 96 HE1 TRP A 7 -3.782 17.839 4.632 1.00 0.00 H +ATOM 97 CE2 TRP A 7 -3.356 19.490 3.326 1.00 37.95 C +ATOM 98 CE3 TRP A 7 -3.026 20.789 1.325 1.00 37.95 C +ATOM 99 HE3 TRP A 7 -3.006 20.887 0.240 1.00 0.00 H +ATOM 100 CZ2 TRP A 7 -3.066 20.577 4.133 1.00 37.95 C +ATOM 101 HZ2 TRP A 7 -3.081 20.495 5.220 1.00 0.00 H +ATOM 102 CZ3 TRP A 7 -2.739 21.863 2.131 1.00 37.95 C +ATOM 103 HZ3 TRP A 7 -2.489 22.821 1.676 1.00 0.00 H +ATOM 104 CH2 TRP A 7 -2.761 21.752 3.517 1.00 37.95 C +ATOM 105 HH2 TRP A 7 -2.529 22.627 4.125 1.00 0.00 H +ATOM 106 N LYS A 8 -5.189 18.339 -2.858 1.00 25.89 N +ATOM 107 H LYS A 8 -5.100 19.311 -2.499 1.00 0.00 H +ATOM 108 CA LYS A 8 -5.148 18.129 -4.304 1.00 25.89 C +ATOM 109 HA LYS A 8 -5.019 17.074 -4.546 1.00 0.00 H +ATOM 110 C LYS A 8 -3.975 18.957 -4.812 1.00 25.89 C +ATOM 111 O LYS A 8 -3.754 20.081 -4.357 1.00 25.89 O +ATOM 112 CB LYS A 8 -6.461 18.538 -4.972 1.00 46.80 C +ATOM 113 HB1 LYS A 8 -6.349 18.398 -6.047 1.00 0.00 H +ATOM 114 HB2 LYS A 8 -7.246 17.879 -4.601 1.00 0.00 H +ATOM 115 CG LYS A 8 -6.895 19.953 -4.734 1.00 46.80 C +ATOM 116 HG1 LYS A 8 -6.958 20.141 -3.662 1.00 0.00 H +ATOM 117 HG2 LYS A 8 -6.173 20.637 -5.180 1.00 0.00 H +ATOM 118 CD LYS A 8 -8.249 20.163 -5.365 1.00 46.80 C +ATOM 119 HD1 LYS A 8 -8.141 20.126 -6.449 1.00 0.00 H +ATOM 120 HD2 LYS A 8 -8.916 19.364 -5.040 1.00 0.00 H +ATOM 121 CE LYS A 8 -8.862 21.499 -4.980 1.00 46.80 C +ATOM 122 HE1 LYS A 8 -8.420 22.284 -5.594 1.00 0.00 H +ATOM 123 HE2 LYS A 8 -8.650 21.699 -3.930 1.00 0.00 H +ATOM 124 NZ LYS A 8 -10.345 21.493 -5.187 1.00 46.80 N +ATOM 125 HZ1 LYS A 8 -10.553 21.308 -6.189 1.00 0.00 H +ATOM 126 HZ2 LYS A 8 -10.773 20.749 -4.600 1.00 0.00 H +ATOM 127 HZ3 LYS A 8 -10.735 22.418 -4.916 1.00 0.00 H +ATOM 128 N MET A 9 -3.193 18.380 -5.715 1.00 33.52 N +ATOM 129 H MET A 9 -3.428 17.430 -6.066 1.00 0.00 H +ATOM 130 CA MET A 9 -2.009 19.060 -6.222 1.00 33.52 C +ATOM 131 HA MET A 9 -1.524 19.474 -5.338 1.00 0.00 H +ATOM 132 C MET A 9 -2.254 20.282 -7.103 1.00 33.52 C +ATOM 133 O MET A 9 -3.220 20.336 -7.856 1.00 33.52 O +ATOM 134 CB MET A 9 -1.110 18.063 -6.924 1.00 20.15 C +ATOM 135 HB1 MET A 9 -1.063 17.154 -6.325 1.00 0.00 H +ATOM 136 HB2 MET A 9 -1.539 17.832 -7.899 1.00 0.00 H +ATOM 137 CG MET A 9 0.272 18.576 -7.121 1.00 20.15 C +ATOM 138 HG1 MET A 9 0.664 18.948 -6.175 1.00 0.00 H +ATOM 139 HG2 MET A 9 0.263 19.384 -7.852 1.00 0.00 H +ATOM 140 SD MET A 9 1.291 17.246 -7.710 1.00 20.15 S +ATOM 141 CE MET A 9 0.418 16.784 -9.162 1.00 20.15 C +ATOM 142 HE1 MET A 9 -0.593 16.476 -8.894 1.00 0.00 H +ATOM 143 HE2 MET A 9 0.371 17.634 -9.842 1.00 0.00 H +ATOM 144 HE3 MET A 9 0.935 15.956 -9.647 1.00 0.00 H +ATOM 145 N ARG A 10 -1.368 21.263 -7.004 1.00 47.62 N +ATOM 146 H ARG A 10 -0.560 21.146 -6.360 1.00 0.00 H +ATOM 147 CA ARG A 10 -1.485 22.497 -7.764 1.00 47.62 C +ATOM 148 HA ARG A 10 -2.471 22.512 -8.229 1.00 0.00 H +ATOM 149 C ARG A 10 -0.457 22.572 -8.885 1.00 47.62 C +ATOM 150 O ARG A 10 -0.785 22.945 -10.007 1.00 47.62 O +ATOM 151 CB ARG A 10 -1.350 23.701 -6.829 1.00 56.71 C +ATOM 152 HB1 ARG A 10 -2.167 23.667 -6.108 1.00 0.00 H +ATOM 153 HB2 ARG A 10 -0.399 23.620 -6.303 1.00 0.00 H +ATOM 154 CG ARG A 10 -1.392 25.043 -7.533 1.00 56.71 C +ATOM 155 HG1 ARG A 10 -0.433 25.211 -8.024 1.00 0.00 H +ATOM 156 HG2 ARG A 10 -2.183 25.020 -8.282 1.00 0.00 H +ATOM 157 CD ARG A 10 -1.660 26.202 -6.570 1.00 56.71 C +ATOM 158 HD1 ARG A 10 -2.537 25.952 -5.973 1.00 0.00 H +ATOM 159 HD2 ARG A 10 -1.867 27.094 -7.161 1.00 0.00 H +ATOM 160 NE ARG A 10 -0.558 26.505 -5.658 1.00 56.71 N +ATOM 161 HE ARG A 10 -0.757 26.485 -4.637 1.00 0.00 H +ATOM 162 CZ ARG A 10 0.681 26.805 -6.040 1.00 56.71 C +ATOM 163 NH1 ARG A 10 1.005 26.831 -7.328 1.00 56.71 N +ATOM 164 1HH1 ARG A 10 0.287 26.616 -8.049 1.00 0.00 H +ATOM 165 2HH1 ARG A 10 1.976 27.067 -7.615 1.00 0.00 H +ATOM 166 NH2 ARG A 10 1.585 27.149 -5.135 1.00 56.71 N +ATOM 167 1HH2 ARG A 10 1.326 27.184 -4.128 1.00 0.00 H +ATOM 168 2HH2 ARG A 10 2.554 27.384 -5.431 1.00 0.00 H +ATOM 169 N SER A 11 0.788 22.236 -8.576 1.00 19.67 N +ATOM 170 H SER A 11 1.008 21.949 -7.601 1.00 0.00 H +ATOM 171 CA SER A 11 1.854 22.259 -9.566 1.00 19.67 C +ATOM 172 HA SER A 11 1.443 22.069 -10.557 1.00 0.00 H +ATOM 173 C SER A 11 2.862 21.198 -9.178 1.00 19.67 C +ATOM 174 O SER A 11 2.735 20.589 -8.122 1.00 19.67 O +ATOM 175 CB SER A 11 2.539 23.621 -9.589 1.00 50.26 C +ATOM 176 HB1 SER A 11 1.781 24.404 -9.560 1.00 0.00 H +ATOM 177 HB2 SER A 11 3.121 23.714 -10.506 1.00 0.00 H +ATOM 178 OG SER A 11 3.399 23.767 -8.477 1.00 50.26 O +ATOM 179 HG SER A 11 4.091 23.060 -8.502 1.00 0.00 H +ATOM 180 N SER A 12 3.865 20.978 -10.014 1.00 20.67 N +ATOM 181 H SER A 12 3.925 21.528 -10.894 1.00 0.00 H +ATOM 182 CA SER A 12 4.877 19.988 -9.726 1.00 20.67 C +ATOM 183 HA SER A 12 5.159 20.060 -8.675 1.00 0.00 H +ATOM 184 C SER A 12 6.076 20.235 -10.612 1.00 20.67 C +ATOM 185 O SER A 12 5.935 20.278 -11.816 1.00 20.67 O +ATOM 186 CB SER A 12 4.342 18.607 -10.013 1.00 17.29 C +ATOM 187 HB1 SER A 12 3.780 18.620 -10.947 1.00 0.00 H +ATOM 188 HB2 SER A 12 3.687 18.293 -9.201 1.00 0.00 H +ATOM 189 OG SER A 12 5.426 17.703 -10.124 1.00 17.29 O +ATOM 190 HG SER A 12 6.020 17.990 -10.862 1.00 0.00 H +ATOM 191 N GLU A 13 7.259 20.371 -10.026 1.00 25.82 N +ATOM 192 H GLU A 13 7.327 20.297 -8.991 1.00 0.00 H +ATOM 193 CA GLU A 13 8.457 20.621 -10.802 1.00 25.82 C +ATOM 194 HA GLU A 13 8.230 20.686 -11.866 1.00 0.00 H +ATOM 195 C GLU A 13 9.406 19.476 -10.524 1.00 25.82 C +ATOM 196 O GLU A 13 9.510 19.044 -9.373 1.00 25.82 O +ATOM 197 CB GLU A 13 9.088 21.952 -10.379 1.00173.99 C +ATOM 198 HB1 GLU A 13 8.327 22.729 -10.458 1.00 0.00 H +ATOM 199 HB2 GLU A 13 9.407 21.862 -9.341 1.00 0.00 H +ATOM 200 CG GLU A 13 10.294 22.381 -11.211 1.00173.99 C +ATOM 201 HG1 GLU A 13 11.009 21.558 -11.238 1.00 0.00 H +ATOM 202 HG2 GLU A 13 9.957 22.601 -12.224 1.00 0.00 H +ATOM 203 CD GLU A 13 10.991 23.612 -10.652 1.00173.99 C +ATOM 204 OE1 GLU A 13 11.517 23.540 -9.519 1.00173.99 O +ATOM 205 OE2 GLU A 13 11.021 24.650 -11.348 1.00173.99 O +ATOM 206 N ASN A 14 9.987 18.917 -11.592 1.00 45.79 N +ATOM 207 H ASN A 14 9.724 19.284 -12.529 1.00 0.00 H +ATOM 208 CA ASN A 14 10.970 17.822 -11.543 1.00 45.79 C +ATOM 209 HA ASN A 14 11.050 17.639 -12.615 1.00 0.00 H +ATOM 210 C ASN A 14 10.642 16.394 -11.065 1.00 45.79 C +ATOM 211 O ASN A 14 11.503 15.737 -10.461 1.00 45.79 O +ATOM 212 CB ASN A 14 12.228 18.296 -10.822 1.00 60.32 C +ATOM 213 HB1 ASN A 14 11.940 19.000 -10.041 1.00 0.00 H +ATOM 214 HB2 ASN A 14 12.718 17.434 -10.369 1.00 0.00 H +ATOM 215 CG ASN A 14 13.193 18.968 -11.742 1.00 60.32 C +ATOM 216 OD1 ASN A 14 12.817 19.436 -12.813 1.00 60.32 O +ATOM 217 ND2 ASN A 14 14.459 19.012 -11.341 1.00 60.32 N +ATOM 218 1HD2 ASN A 14 15.180 19.457 -11.944 1.00 0.00 H +ATOM 219 2HD2 ASN A 14 14.729 18.601 -10.424 1.00 0.00 H +ATOM 220 N PHE A 15 9.461 15.864 -11.384 1.00 41.15 N +ATOM 221 H PHE A 15 8.770 16.410 -11.937 1.00 0.00 H +ATOM 222 CA PHE A 15 9.152 14.505 -10.945 1.00 41.15 C +ATOM 223 HA PHE A 15 9.547 14.394 -9.935 1.00 0.00 H +ATOM 224 C PHE A 15 9.815 13.485 -11.857 1.00 41.15 C +ATOM 225 O PHE A 15 10.363 12.487 -11.388 1.00 41.15 O +ATOM 226 CB PHE A 15 7.650 14.255 -10.892 1.00 27.14 C +ATOM 227 HB1 PHE A 15 7.182 15.083 -10.360 1.00 0.00 H +ATOM 228 HB2 PHE A 15 7.271 14.219 -11.913 1.00 0.00 H +ATOM 229 CG PHE A 15 7.272 12.967 -10.197 1.00 27.14 C +ATOM 230 CD1 PHE A 15 7.599 12.754 -8.867 1.00 27.14 C +ATOM 231 HD1 PHE A 15 8.143 13.522 -8.317 1.00 0.00 H +ATOM 232 CD2 PHE A 15 6.585 11.973 -10.865 1.00 27.14 C +ATOM 233 HD2 PHE A 15 6.317 12.114 -11.912 1.00 0.00 H +ATOM 234 CE1 PHE A 15 7.244 11.581 -8.230 1.00 27.14 C +ATOM 235 HE1 PHE A 15 7.507 11.429 -7.183 1.00 0.00 H +ATOM 236 CE2 PHE A 15 6.235 10.806 -10.224 1.00 27.14 C +ATOM 237 HE2 PHE A 15 5.692 10.031 -10.765 1.00 0.00 H +ATOM 238 CZ PHE A 15 6.566 10.614 -8.909 1.00 27.14 C +ATOM 239 HZ PHE A 15 6.287 9.688 -8.406 1.00 0.00 H +ATOM 240 N ASP A 16 9.786 13.756 -13.160 1.00 24.53 N +ATOM 241 H ASP A 16 9.324 14.629 -13.486 1.00 0.00 H +ATOM 242 CA ASP A 16 10.385 12.860 -14.143 1.00 24.53 C +ATOM 243 HA ASP A 16 9.995 11.851 -14.012 1.00 0.00 H +ATOM 244 C ASP A 16 11.888 12.861 -13.943 1.00 24.53 C +ATOM 245 O ASP A 16 12.532 11.825 -14.008 1.00 24.53 O +ATOM 246 CB ASP A 16 10.041 13.326 -15.559 1.00 63.07 C +ATOM 247 HB1 ASP A 16 8.962 13.462 -15.628 1.00 0.00 H +ATOM 248 HB2 ASP A 16 10.538 14.279 -15.742 1.00 0.00 H +ATOM 249 CG ASP A 16 10.476 12.336 -16.634 1.00 63.07 C +ATOM 250 OD1 ASP A 16 9.695 11.415 -16.954 1.00 63.07 O +ATOM 251 OD2 ASP A 16 11.590 12.491 -17.178 1.00 63.07 O +ATOM 252 N GLU A 17 12.446 14.036 -13.693 1.00 22.95 N +ATOM 253 H GLU A 17 11.851 14.888 -13.648 1.00 0.00 H +ATOM 254 CA GLU A 17 13.881 14.149 -13.481 1.00 22.95 C +ATOM 255 HA GLU A 17 14.404 13.702 -14.326 1.00 0.00 H +ATOM 256 C GLU A 17 14.277 13.397 -12.219 1.00 22.95 C +ATOM 257 O GLU A 17 15.377 12.850 -12.144 1.00 22.95 O +ATOM 258 CB GLU A 17 14.294 15.614 -13.402 1.00 57.04 C +ATOM 259 HB1 GLU A 17 13.616 16.200 -14.022 1.00 0.00 H +ATOM 260 HB2 GLU A 17 14.212 15.943 -12.366 1.00 0.00 H +ATOM 261 CG GLU A 17 15.712 15.855 -13.875 1.00 57.04 C +ATOM 262 HG1 GLU A 17 15.907 16.927 -13.860 1.00 0.00 H +ATOM 263 HG2 GLU A 17 16.398 15.352 -13.193 1.00 0.00 H +ATOM 264 CD GLU A 17 15.958 15.336 -15.282 1.00 57.04 C +ATOM 265 OE1 GLU A 17 14.997 15.290 -16.087 1.00 57.04 O +ATOM 266 OE2 GLU A 17 17.117 14.973 -15.582 1.00 57.04 O +ATOM 267 N LEU A 18 13.357 13.363 -11.247 1.00 26.04 N +ATOM 268 H LEU A 18 12.458 13.863 -11.399 1.00 0.00 H +ATOM 269 CA LEU A 18 13.554 12.656 -9.980 1.00 26.04 C +ATOM 270 HA LEU A 18 14.492 12.976 -9.526 1.00 0.00 H +ATOM 271 C LEU A 18 13.576 11.159 -10.264 1.00 26.04 C +ATOM 272 O LEU A 18 14.555 10.480 -9.968 1.00 26.04 O +ATOM 273 CB LEU A 18 12.410 12.967 -9.015 1.00 31.75 C +ATOM 274 HB1 LEU A 18 12.460 14.027 -8.766 1.00 0.00 H +ATOM 275 HB2 LEU A 18 11.472 12.759 -9.529 1.00 0.00 H +ATOM 276 CG LEU A 18 12.415 12.173 -7.702 1.00 31.75 C +ATOM 277 HG LEU A 18 12.538 11.116 -7.938 1.00 0.00 H +ATOM 278 CD1 LEU A 18 13.559 12.644 -6.839 1.00 31.75 C +ATOM 279 1HD1 LEU A 18 14.500 12.485 -7.366 1.00 0.00 H +ATOM 280 2HD1 LEU A 18 13.437 13.706 -6.624 1.00 0.00 H +ATOM 281 3HD1 LEU A 18 13.564 12.081 -5.906 1.00 0.00 H +ATOM 282 CD2 LEU A 18 11.104 12.334 -6.954 1.00 31.75 C +ATOM 283 1HD2 LEU A 18 10.947 13.387 -6.722 1.00 0.00 H +ATOM 284 2HD2 LEU A 18 10.285 11.971 -7.576 1.00 0.00 H +ATOM 285 3HD2 LEU A 18 11.142 11.759 -6.029 1.00 0.00 H +ATOM 286 N LEU A 19 12.486 10.652 -10.840 1.00 48.18 N +ATOM 287 H LEU A 19 11.688 11.287 -11.046 1.00 0.00 H +ATOM 288 CA LEU A 19 12.368 9.235 -11.194 1.00 48.18 C +ATOM 289 HA LEU A 19 12.408 8.663 -10.267 1.00 0.00 H +ATOM 290 C LEU A 19 13.522 8.787 -12.093 1.00 48.18 C +ATOM 291 O LEU A 19 14.051 7.689 -11.937 1.00 48.18 O +ATOM 292 CB LEU A 19 11.036 8.964 -11.899 1.00 15.63 C +ATOM 293 HB1 LEU A 19 11.014 9.566 -12.808 1.00 0.00 H +ATOM 294 HB2 LEU A 19 11.011 7.907 -12.164 1.00 0.00 H +ATOM 295 CG LEU A 19 9.767 9.274 -11.107 1.00 15.63 C +ATOM 296 HG LEU A 19 9.734 10.343 -10.895 1.00 0.00 H +ATOM 297 CD1 LEU A 19 8.543 8.894 -11.928 1.00 15.63 C +ATOM 298 1HD1 LEU A 19 8.538 9.465 -12.856 1.00 0.00 H +ATOM 299 2HD1 LEU A 19 8.576 7.828 -12.155 1.00 0.00 H +ATOM 300 3HD1 LEU A 19 7.641 9.117 -11.358 1.00 0.00 H +ATOM 301 CD2 LEU A 19 9.771 8.522 -9.780 1.00 15.63 C +ATOM 302 1HD2 LEU A 19 9.818 7.450 -9.971 1.00 0.00 H +ATOM 303 2HD2 LEU A 19 10.639 8.826 -9.194 1.00 0.00 H +ATOM 304 3HD2 LEU A 19 8.860 8.755 -9.229 1.00 0.00 H +ATOM 305 N LYS A 20 13.905 9.650 -13.028 1.00 49.46 N +ATOM 306 H LYS A 20 13.403 10.557 -13.112 1.00 0.00 H +ATOM 307 CA LYS A 20 15.002 9.367 -13.937 1.00 49.46 C +ATOM 308 HA LYS A 20 14.792 8.472 -14.523 1.00 0.00 H +ATOM 309 C LYS A 20 16.264 9.173 -13.096 1.00 49.46 C +ATOM 310 O LYS A 20 17.041 8.252 -13.337 1.00 49.46 O +ATOM 311 CB LYS A 20 15.194 10.537 -14.896 1.00 70.31 C +ATOM 312 HB1 LYS A 20 14.253 10.713 -15.417 1.00 0.00 H +ATOM 313 HB2 LYS A 20 15.456 11.420 -14.313 1.00 0.00 H +ATOM 314 CG LYS A 20 16.268 10.309 -15.921 1.00 70.31 C +ATOM 315 HG1 LYS A 20 16.876 9.458 -15.613 1.00 0.00 H +ATOM 316 HG2 LYS A 20 15.800 10.091 -16.881 1.00 0.00 H +ATOM 317 CD LYS A 20 17.168 11.531 -16.075 1.00 70.31 C +ATOM 318 HD1 LYS A 20 17.893 11.337 -16.866 1.00 0.00 H +ATOM 319 HD2 LYS A 20 16.553 12.388 -16.349 1.00 0.00 H +ATOM 320 CE LYS A 20 17.923 11.857 -14.781 1.00 70.31 C +ATOM 321 HE1 LYS A 20 18.359 10.936 -14.393 1.00 0.00 H +ATOM 322 HE2 LYS A 20 17.212 12.254 -14.056 1.00 0.00 H +ATOM 323 NZ LYS A 20 19.021 12.860 -14.970 1.00 70.31 N +ATOM 324 HZ1 LYS A 20 19.713 12.490 -15.652 1.00 0.00 H +ATOM 325 HZ2 LYS A 20 18.619 13.749 -15.330 1.00 0.00 H +ATOM 326 HZ3 LYS A 20 19.490 13.035 -14.058 1.00 0.00 H +ATOM 327 N ALA A 21 16.439 10.024 -12.086 1.00 69.54 N +ATOM 328 H ALA A 21 15.726 10.763 -11.923 1.00 0.00 H +ATOM 329 CA ALA A 21 17.599 9.954 -11.200 1.00 69.54 C +ATOM 330 HA ALA A 21 18.476 9.868 -11.841 1.00 0.00 H +ATOM 331 C ALA A 21 17.581 8.725 -10.297 1.00 69.54 C +ATOM 332 O ALA A 21 18.634 8.294 -9.822 1.00 69.54 O +ATOM 333 CB ALA A 21 17.702 11.215 -10.360 1.00 33.62 C +ATOM 334 HB1 ALA A 21 17.808 12.079 -11.016 1.00 0.00 H +ATOM 335 HB2 ALA A 21 16.800 11.323 -9.757 1.00 0.00 H +ATOM 336 HB3 ALA A 21 18.572 11.145 -9.707 1.00 0.00 H +ATOM 337 N LEU A 22 16.389 8.183 -10.039 1.00 68.65 N +ATOM 338 H LEU A 22 15.536 8.618 -10.445 1.00 0.00 H +ATOM 339 CA LEU A 22 16.253 6.994 -9.201 1.00 68.65 C +ATOM 340 HA LEU A 22 17.049 7.064 -8.460 1.00 0.00 H +ATOM 341 C LEU A 22 16.444 5.701 -9.976 1.00 68.65 C +ATOM 342 O LEU A 22 16.377 4.615 -9.397 1.00 68.65 O +ATOM 343 CB LEU A 22 14.904 6.961 -8.498 1.00 26.12 C +ATOM 344 HB1 LEU A 22 14.130 7.111 -9.250 1.00 0.00 H +ATOM 345 HB2 LEU A 22 14.785 5.976 -8.046 1.00 0.00 H +ATOM 346 CG LEU A 22 14.705 8.006 -7.405 1.00 26.12 C +ATOM 347 HG LEU A 22 14.658 9.000 -7.850 1.00 0.00 H +ATOM 348 CD1 LEU A 22 13.407 7.733 -6.680 1.00 26.12 C +ATOM 349 1HD1 LEU A 22 12.579 7.783 -7.388 1.00 0.00 H +ATOM 350 2HD1 LEU A 22 13.444 6.740 -6.233 1.00 0.00 H +ATOM 351 3HD1 LEU A 22 13.265 8.480 -5.899 1.00 0.00 H +ATOM 352 CD2 LEU A 22 15.865 7.965 -6.445 1.00 26.12 C +ATOM 353 1HD2 LEU A 22 15.926 6.975 -5.992 1.00 0.00 H +ATOM 354 2HD2 LEU A 22 16.789 8.177 -6.984 1.00 0.00 H +ATOM 355 3HD2 LEU A 22 15.717 8.714 -5.667 1.00 0.00 H +ATOM 356 N GLY A 23 16.615 5.819 -11.292 1.00 46.23 N +ATOM 357 H GLY A 23 16.584 6.762 -11.730 1.00 0.00 H +ATOM 358 CA GLY A 23 16.844 4.652 -12.125 1.00 46.23 C +ATOM 359 HA1 GLY A 23 17.607 4.927 -12.854 1.00 0.00 H +ATOM 360 HA2 GLY A 23 17.231 3.868 -11.474 1.00 0.00 H +ATOM 361 C GLY A 23 15.687 4.050 -12.902 1.00 46.23 C +ATOM 362 O GLY A 23 15.901 3.114 -13.669 1.00 46.23 O +ATOM 363 N VAL A 24 14.470 4.549 -12.714 1.00 36.70 N +ATOM 364 H VAL A 24 14.333 5.329 -12.039 1.00 0.00 H +ATOM 365 CA VAL A 24 13.317 4.014 -13.446 1.00 36.70 C +ATOM 366 HA VAL A 24 13.228 2.956 -13.202 1.00 0.00 H +ATOM 367 C VAL A 24 13.524 4.198 -14.959 1.00 36.70 C +ATOM 368 O VAL A 24 14.127 5.186 -15.393 1.00 36.70 O +ATOM 369 CB VAL A 24 12.024 4.746 -13.041 1.00 15.04 C +ATOM 370 HB VAL A 24 12.075 5.765 -13.424 1.00 0.00 H +ATOM 371 CG1 VAL A 24 10.822 4.062 -13.642 1.00 15.04 C +ATOM 372 1HG1 VAL A 24 10.908 4.067 -14.729 1.00 0.00 H +ATOM 373 2HG1 VAL A 24 10.775 3.033 -13.285 1.00 0.00 H +ATOM 374 3HG1 VAL A 24 9.917 4.593 -13.345 1.00 0.00 H +ATOM 375 CG2 VAL A 24 11.892 4.808 -11.535 1.00 15.04 C +ATOM 376 1HG2 VAL A 24 11.865 3.796 -11.132 1.00 0.00 H +ATOM 377 2HG2 VAL A 24 12.745 5.343 -11.119 1.00 0.00 H +ATOM 378 3HG2 VAL A 24 10.971 5.329 -11.273 1.00 0.00 H +ATOM 379 N ASN A 25 13.071 3.248 -15.769 1.00 52.75 N +ATOM 380 H ASN A 25 12.601 2.405 -15.383 1.00 0.00 H +ATOM 381 CA ASN A 25 13.244 3.407 -17.208 1.00 52.75 C +ATOM 382 HA ASN A 25 14.141 4.009 -17.356 1.00 0.00 H +ATOM 383 C ASN A 25 12.086 4.186 -17.846 1.00 52.75 C +ATOM 384 O ASN A 25 11.000 4.269 -17.271 1.00 52.75 O +ATOM 385 CB ASN A 25 13.492 2.064 -17.904 1.00 50.93 C +ATOM 386 HB1 ASN A 25 13.733 2.255 -18.950 1.00 0.00 H +ATOM 387 HB2 ASN A 25 14.338 1.575 -17.421 1.00 0.00 H +ATOM 388 CG ASN A 25 12.304 1.134 -17.848 1.00 50.93 C +ATOM 389 OD1 ASN A 25 11.148 1.559 -17.792 1.00 50.93 O +ATOM 390 ND2 ASN A 25 12.586 -0.158 -17.900 1.00 50.93 N +ATOM 391 1HD2 ASN A 25 11.817 -0.859 -17.894 1.00 0.00 H +ATOM 392 2HD2 ASN A 25 13.576 -0.473 -17.946 1.00 0.00 H +ATOM 393 N ALA A 26 12.332 4.753 -19.029 1.00 31.39 N +ATOM 394 H ALA A 26 13.269 4.614 -19.457 1.00 0.00 H +ATOM 395 CA ALA A 26 11.348 5.563 -19.756 1.00 31.39 C +ATOM 396 HA ALA A 26 11.172 6.430 -19.119 1.00 0.00 H +ATOM 397 C ALA A 26 9.978 4.928 -19.938 1.00 31.39 C +ATOM 398 O ALA A 26 8.966 5.627 -19.990 1.00 31.39 O +ATOM 399 CB ALA A 26 11.912 5.980 -21.105 1.00112.76 C +ATOM 400 HB1 ALA A 26 12.818 6.567 -20.953 1.00 0.00 H +ATOM 401 HB2 ALA A 26 12.147 5.091 -21.690 1.00 0.00 H +ATOM 402 HB3 ALA A 26 11.174 6.581 -21.636 1.00 0.00 H +ATOM 403 N MET A 27 9.949 3.607 -20.054 1.00 50.64 N +ATOM 404 H MET A 27 10.839 3.070 -20.017 1.00 0.00 H +ATOM 405 CA MET A 27 8.694 2.900 -20.232 1.00 50.64 C +ATOM 406 HA MET A 27 8.174 3.283 -21.110 1.00 0.00 H +ATOM 407 C MET A 27 7.815 3.119 -18.998 1.00 50.64 C +ATOM 408 O MET A 27 6.636 3.457 -19.122 1.00 50.64 O +ATOM 409 CB MET A 27 8.965 1.408 -20.445 1.00183.79 C +ATOM 410 HB1 MET A 27 10.043 1.263 -20.510 1.00 0.00 H +ATOM 411 HB2 MET A 27 8.579 0.865 -19.583 1.00 0.00 H +ATOM 412 CG MET A 27 8.330 0.825 -21.698 1.00183.79 C +ATOM 413 HG1 MET A 27 8.703 -0.190 -21.836 1.00 0.00 H +ATOM 414 HG2 MET A 27 8.621 1.437 -22.552 1.00 0.00 H +ATOM 415 SD MET A 27 6.529 0.769 -21.620 1.00183.79 S +ATOM 416 CE MET A 27 6.268 -0.899 -21.016 1.00183.79 C +ATOM 417 HE1 MET A 27 6.697 -1.611 -21.722 1.00 0.00 H +ATOM 418 HE2 MET A 27 6.751 -1.012 -20.045 1.00 0.00 H +ATOM 419 HE3 MET A 27 5.199 -1.084 -20.915 1.00 0.00 H +ATOM 420 N LEU A 28 8.427 2.979 -17.819 1.00 59.78 N +ATOM 421 H LEU A 28 9.441 2.746 -17.820 1.00 0.00 H +ATOM 422 CA LEU A 28 7.757 3.134 -16.520 1.00 59.78 C +ATOM 423 HA LEU A 28 6.771 2.689 -16.656 1.00 0.00 H +ATOM 424 C LEU A 28 7.504 4.572 -16.079 1.00 59.78 C +ATOM 425 O LEU A 28 6.460 4.867 -15.498 1.00 59.78 O +ATOM 426 CB LEU A 28 8.563 2.425 -15.445 1.00 26.46 C +ATOM 427 HB1 LEU A 28 9.577 2.825 -15.461 1.00 0.00 H +ATOM 428 HB2 LEU A 28 8.105 2.639 -14.479 1.00 0.00 H +ATOM 429 CG LEU A 28 8.645 0.915 -15.608 1.00 26.46 C +ATOM 430 HG LEU A 28 8.709 0.654 -16.664 1.00 0.00 H +ATOM 431 CD1 LEU A 28 9.889 0.400 -14.927 1.00 26.46 C +ATOM 432 1HD1 LEU A 28 10.767 0.862 -15.379 1.00 0.00 H +ATOM 433 2HD1 LEU A 28 9.851 0.649 -13.867 1.00 0.00 H +ATOM 434 3HD1 LEU A 28 9.945 -0.682 -15.045 1.00 0.00 H +ATOM 435 CD2 LEU A 28 7.385 0.273 -15.042 1.00 26.46 C +ATOM 436 1HD2 LEU A 28 7.297 0.520 -13.984 1.00 0.00 H +ATOM 437 2HD2 LEU A 28 6.514 0.650 -15.579 1.00 0.00 H +ATOM 438 3HD2 LEU A 28 7.446 -0.809 -15.160 1.00 0.00 H +ATOM 439 N ARG A 29 8.479 5.448 -16.306 1.00 29.70 N +ATOM 440 H ARG A 29 9.360 5.121 -16.751 1.00 0.00 H +ATOM 441 CA ARG A 29 8.344 6.857 -15.947 1.00 29.70 C +ATOM 442 HA ARG A 29 8.204 6.890 -14.867 1.00 0.00 H +ATOM 443 C ARG A 29 7.141 7.496 -16.621 1.00 29.70 C +ATOM 444 O ARG A 29 6.513 8.377 -16.047 1.00 29.70 O +ATOM 445 CB ARG A 29 9.597 7.645 -16.324 1.00 57.54 C +ATOM 446 HB1 ARG A 29 9.794 7.494 -17.385 1.00 0.00 H +ATOM 447 HB2 ARG A 29 9.410 8.702 -16.138 1.00 0.00 H +ATOM 448 CG ARG A 29 10.810 7.235 -15.553 1.00 57.54 C +ATOM 449 HG1 ARG A 29 10.522 7.029 -14.522 1.00 0.00 H +ATOM 450 HG2 ARG A 29 11.227 6.332 -16.000 1.00 0.00 H +ATOM 451 CD ARG A 29 11.855 8.313 -15.563 1.00 57.54 C +ATOM 452 HD1 ARG A 29 12.449 8.227 -14.653 1.00 0.00 H +ATOM 453 HD2 ARG A 29 11.353 9.281 -15.578 1.00 0.00 H +ATOM 454 NE ARG A 29 12.753 8.239 -16.711 1.00 57.54 N +ATOM 455 HE ARG A 29 13.562 7.587 -16.653 1.00 0.00 H +ATOM 456 CZ ARG A 29 12.607 8.949 -17.827 1.00 57.54 C +ATOM 457 NH1 ARG A 29 11.586 9.788 -17.965 1.00 57.54 N +ATOM 458 1HH1 ARG A 29 10.893 9.894 -17.197 1.00 0.00 H +ATOM 459 2HH1 ARG A 29 11.480 10.339 -18.841 1.00 0.00 H +ATOM 460 NH2 ARG A 29 13.516 8.858 -18.794 1.00 57.54 N +ATOM 461 1HH2 ARG A 29 14.339 8.233 -18.677 1.00 0.00 H +ATOM 462 2HH2 ARG A 29 13.404 9.412 -19.667 1.00 0.00 H +ATOM 463 N LYS A 30 6.827 7.055 -17.841 1.00 28.65 N +ATOM 464 H LYS A 30 7.404 6.306 -18.274 1.00 0.00 H +ATOM 465 CA LYS A 30 5.695 7.598 -18.582 1.00 28.65 C +ATOM 466 HA LYS A 30 5.793 8.683 -18.617 1.00 0.00 H +ATOM 467 C LYS A 30 4.406 7.217 -17.876 1.00 28.65 C +ATOM 468 O LYS A 30 3.432 7.969 -17.913 1.00 28.65 O +ATOM 469 CB LYS A 30 5.674 7.084 -20.026 1.00111.84 C +ATOM 470 HB1 LYS A 30 5.153 7.816 -20.643 1.00 0.00 H +ATOM 471 HB2 LYS A 30 6.704 6.988 -20.370 1.00 0.00 H +ATOM 472 CG LYS A 30 4.988 5.743 -20.197 1.00111.84 C +ATOM 473 HG1 LYS A 30 5.690 4.951 -19.937 1.00 0.00 H +ATOM 474 HG2 LYS A 30 4.128 5.698 -19.529 1.00 0.00 H +ATOM 475 CD LYS A 30 4.516 5.534 -21.623 1.00111.84 C +ATOM 476 HD1 LYS A 30 4.203 6.492 -22.038 1.00 0.00 H +ATOM 477 HD2 LYS A 30 5.340 5.135 -22.215 1.00 0.00 H +ATOM 478 CE LYS A 30 3.341 4.557 -21.682 1.00111.84 C +ATOM 479 HE1 LYS A 30 3.645 3.617 -21.221 1.00 0.00 H +ATOM 480 HE2 LYS A 30 3.085 4.382 -22.727 1.00 0.00 H +ATOM 481 NZ LYS A 30 2.125 5.072 -20.968 1.00111.84 N +ATOM 482 HZ1 LYS A 30 2.355 5.235 -19.967 1.00 0.00 H +ATOM 483 HZ2 LYS A 30 1.820 5.965 -21.405 1.00 0.00 H +ATOM 484 HZ3 LYS A 30 1.360 4.371 -21.039 1.00 0.00 H +ATOM 485 N VAL A 31 4.419 6.061 -17.210 1.00 29.20 N +ATOM 486 H VAL A 31 5.292 5.496 -17.201 1.00 0.00 H +ATOM 487 CA VAL A 31 3.244 5.562 -16.491 1.00 29.20 C +ATOM 488 HA VAL A 31 2.390 5.696 -17.155 1.00 0.00 H +ATOM 489 C VAL A 31 3.133 6.309 -15.189 1.00 29.20 C +ATOM 490 O VAL A 31 2.071 6.839 -14.847 1.00 29.20 O +ATOM 491 CB VAL A 31 3.368 4.067 -16.096 1.00 22.90 C +ATOM 492 HB VAL A 31 3.915 4.004 -15.155 1.00 0.00 H +ATOM 493 CG1 VAL A 31 1.988 3.467 -15.892 1.00 22.90 C +ATOM 494 1HG1 VAL A 31 1.472 4.007 -15.098 1.00 0.00 H +ATOM 495 2HG1 VAL A 31 1.418 3.548 -16.817 1.00 0.00 H +ATOM 496 3HG1 VAL A 31 2.087 2.417 -15.615 1.00 0.00 H +ATOM 497 CG2 VAL A 31 4.158 3.291 -17.117 1.00 22.90 C +ATOM 498 1HG2 VAL A 31 3.659 3.353 -18.084 1.00 0.00 H +ATOM 499 2HG2 VAL A 31 5.160 3.712 -17.196 1.00 0.00 H +ATOM 500 3HG2 VAL A 31 4.224 2.248 -16.807 1.00 0.00 H +ATOM 501 N ALA A 32 4.253 6.311 -14.465 1.00 28.24 N +ATOM 502 H ALA A 32 5.089 5.829 -14.852 1.00 0.00 H +ATOM 503 CA ALA A 32 4.368 6.952 -13.162 1.00 28.24 C +ATOM 504 HA ALA A 32 3.733 6.418 -12.455 1.00 0.00 H +ATOM 505 C ALA A 32 3.888 8.396 -13.221 1.00 28.24 C +ATOM 506 O ALA A 32 2.853 8.737 -12.663 1.00 28.24 O +ATOM 507 CB ALA A 32 5.815 6.886 -12.677 1.00 19.77 C +ATOM 508 HB1 ALA A 32 6.122 5.843 -12.594 1.00 0.00 H +ATOM 509 HB2 ALA A 32 6.460 7.400 -13.390 1.00 0.00 H +ATOM 510 HB3 ALA A 32 5.892 7.367 -11.702 1.00 0.00 H +ATOM 511 N VAL A 33 4.638 9.224 -13.933 1.00 19.04 N +ATOM 512 H VAL A 33 5.493 8.852 -14.394 1.00 0.00 H +ATOM 513 CA VAL A 33 4.315 10.624 -14.094 1.00 19.04 C +ATOM 514 HA VAL A 33 4.494 11.109 -13.134 1.00 0.00 H +ATOM 515 C VAL A 33 2.850 10.845 -14.458 1.00 19.04 C +ATOM 516 O VAL A 33 2.159 11.601 -13.795 1.00 19.04 O +ATOM 517 CB VAL A 33 5.202 11.236 -15.174 1.00 19.29 C +ATOM 518 HB VAL A 33 5.112 10.647 -16.087 1.00 0.00 H +ATOM 519 CG1 VAL A 33 4.755 12.642 -15.476 1.00 19.29 C +ATOM 520 1HG1 VAL A 33 3.723 12.626 -15.826 1.00 0.00 H +ATOM 521 2HG1 VAL A 33 4.824 13.246 -14.571 1.00 0.00 H +ATOM 522 3HG1 VAL A 33 5.396 13.068 -16.248 1.00 0.00 H +ATOM 523 CG2 VAL A 33 6.665 11.209 -14.730 1.00 19.29 C +ATOM 524 1HG2 VAL A 33 6.775 11.782 -13.809 1.00 0.00 H +ATOM 525 2HG2 VAL A 33 6.972 10.178 -14.556 1.00 0.00 H +ATOM 526 3HG2 VAL A 33 7.288 11.648 -15.509 1.00 0.00 H +ATOM 527 N ALA A 34 2.366 10.160 -15.482 1.00 30.37 N +ATOM 528 H ALA A 34 2.982 9.497 -15.994 1.00 0.00 H +ATOM 529 CA ALA A 34 0.979 10.324 -15.900 1.00 30.37 C +ATOM 530 HA ALA A 34 0.866 11.355 -16.234 1.00 0.00 H +ATOM 531 C ALA A 34 -0.015 10.114 -14.755 1.00 30.37 C +ATOM 532 O ALA A 34 -0.918 10.929 -14.541 1.00 30.37 O +ATOM 533 CB ALA A 34 0.669 9.377 -17.032 1.00 20.54 C +ATOM 534 HB1 ALA A 34 1.327 9.592 -17.874 1.00 0.00 H +ATOM 535 HB2 ALA A 34 0.826 8.351 -16.699 1.00 0.00 H +ATOM 536 HB3 ALA A 34 -0.369 9.506 -17.338 1.00 0.00 H +ATOM 537 N ALA A 35 0.166 9.019 -14.018 1.00 44.01 N +ATOM 538 H ALA A 35 0.957 8.386 -14.251 1.00 0.00 H +ATOM 539 CA ALA A 35 -0.705 8.670 -12.891 1.00 44.01 C +ATOM 540 HA ALA A 35 -1.742 8.807 -13.198 1.00 0.00 H +ATOM 541 C ALA A 35 -0.443 9.573 -11.696 1.00 44.01 C +ATOM 542 O ALA A 35 -1.350 9.930 -10.943 1.00 44.01 O +ATOM 543 CB ALA A 35 -0.466 7.223 -12.502 1.00 45.58 C +ATOM 544 HB1 ALA A 35 -0.691 6.578 -13.351 1.00 0.00 H +ATOM 545 HB2 ALA A 35 0.577 7.094 -12.212 1.00 0.00 H +ATOM 546 HB3 ALA A 35 -1.113 6.962 -11.664 1.00 0.00 H +ATOM 547 N ALA A 36 0.820 9.958 -11.576 1.00 25.68 N +ATOM 548 H ALA A 36 1.496 9.637 -12.298 1.00 0.00 H +ATOM 549 CA ALA A 36 1.319 10.795 -10.507 1.00 25.68 C +ATOM 550 HA ALA A 36 0.841 10.499 -9.573 1.00 0.00 H +ATOM 551 C ALA A 36 0.989 12.253 -10.758 1.00 25.68 C +ATOM 552 O ALA A 36 1.577 13.136 -10.131 1.00 25.68 O +ATOM 553 CB ALA A 36 2.815 10.617 -10.404 1.00 4.53 C +ATOM 554 HB1 ALA A 36 3.041 9.572 -10.191 1.00 0.00 H +ATOM 555 HB2 ALA A 36 3.280 10.906 -11.347 1.00 0.00 H +ATOM 556 HB3 ALA A 36 3.200 11.245 -9.600 1.00 0.00 H +ATOM 557 N SER A 37 0.082 12.498 -11.703 1.00 30.75 N +ATOM 558 H SER A 37 -0.346 11.693 -12.203 1.00 0.00 H +ATOM 559 CA SER A 37 -0.335 13.847 -12.065 1.00 30.75 C +ATOM 560 HA SER A 37 0.429 14.533 -11.699 1.00 0.00 H +ATOM 561 C SER A 37 -1.653 14.213 -11.420 1.00 30.75 C +ATOM 562 O SER A 37 -2.028 15.387 -11.373 1.00 30.75 O +ATOM 563 CB SER A 37 -0.455 13.979 -13.576 1.00 51.61 C +ATOM 564 HB1 SER A 37 -0.921 14.934 -13.819 1.00 0.00 H +ATOM 565 HB2 SER A 37 -1.071 13.167 -13.962 1.00 0.00 H +ATOM 566 OG SER A 37 0.825 13.918 -14.169 1.00 51.61 O +ATOM 567 HG SER A 37 1.248 13.050 -13.950 1.00 0.00 H +ATOM 568 N LYS A 38 -2.377 13.199 -10.964 1.00 43.37 N +ATOM 569 H LYS A 38 -2.026 12.227 -11.080 1.00 0.00 H +ATOM 570 CA LYS A 38 -3.650 13.423 -10.306 1.00 43.37 C +ATOM 571 HA LYS A 38 -3.727 14.481 -10.055 1.00 0.00 H +ATOM 572 C LYS A 38 -3.725 12.625 -9.010 1.00 43.37 C +ATOM 573 O LYS A 38 -4.532 11.694 -8.874 1.00 43.37 O +ATOM 574 CB LYS A 38 -4.819 13.090 -11.239 1.00131.28 C +ATOM 575 HB1 LYS A 38 -4.614 12.138 -11.728 1.00 0.00 H +ATOM 576 HB2 LYS A 38 -5.727 13.003 -10.642 1.00 0.00 H +ATOM 577 CG LYS A 38 -5.041 14.146 -12.308 1.00131.28 C +ATOM 578 HG1 LYS A 38 -5.050 15.127 -11.834 1.00 0.00 H +ATOM 579 HG2 LYS A 38 -4.220 14.097 -13.024 1.00 0.00 H +ATOM 580 CD LYS A 38 -6.346 13.953 -13.051 1.00131.28 C +ATOM 581 HD1 LYS A 38 -6.254 13.102 -13.726 1.00 0.00 H +ATOM 582 HD2 LYS A 38 -7.144 13.762 -12.334 1.00 0.00 H +ATOM 583 CE LYS A 38 -6.679 15.196 -13.854 1.00131.28 C +ATOM 584 HE1 LYS A 38 -5.890 15.365 -14.587 1.00 0.00 H +ATOM 585 HE2 LYS A 38 -6.734 16.049 -13.178 1.00 0.00 H +ATOM 586 NZ LYS A 38 -7.974 15.062 -14.565 1.00131.28 N +ATOM 587 HZ1 LYS A 38 -7.928 14.254 -15.218 1.00 0.00 H +ATOM 588 HZ2 LYS A 38 -8.734 14.907 -13.872 1.00 0.00 H +ATOM 589 HZ3 LYS A 38 -8.165 15.932 -15.102 1.00 0.00 H +ATOM 590 N PRO A 39 -2.842 12.952 -8.051 1.00 27.60 N +ATOM 591 CA PRO A 39 -2.872 12.226 -6.787 1.00 27.60 C +ATOM 592 HA PRO A 39 -3.156 11.178 -6.887 1.00 0.00 H +ATOM 593 C PRO A 39 -3.882 12.852 -5.846 1.00 27.60 C +ATOM 594 O PRO A 39 -4.177 14.045 -5.936 1.00 27.60 O +ATOM 595 CB PRO A 39 -1.464 12.429 -6.262 1.00 16.00 C +ATOM 596 HB1 PRO A 39 -1.430 12.333 -5.177 1.00 0.00 H +ATOM 597 HB2 PRO A 39 -0.770 11.718 -6.710 1.00 0.00 H +ATOM 598 CG PRO A 39 -1.159 13.824 -6.690 1.00 16.00 C +ATOM 599 HG1 PRO A 39 -1.670 14.549 -6.057 1.00 0.00 H +ATOM 600 HG2 PRO A 39 -0.086 14.016 -6.667 1.00 0.00 H +ATOM 601 CD PRO A 39 -1.688 13.868 -8.102 1.00 16.00 C +ATOM 602 HD1 PRO A 39 -0.940 13.517 -8.812 1.00 0.00 H +ATOM 603 HD2 PRO A 39 -1.999 14.877 -8.373 1.00 0.00 H +ATOM 604 N HIS A 40 -4.490 12.014 -5.016 1.00 34.56 N +ATOM 605 H HIS A 40 -4.290 10.996 -5.085 1.00 0.00 H +ATOM 606 CA HIS A 40 -5.425 12.484 -4.017 1.00 34.56 C +ATOM 607 HA HIS A 40 -5.711 13.527 -4.157 1.00 0.00 H +ATOM 608 C HIS A 40 -4.674 12.186 -2.738 1.00 34.56 C +ATOM 609 O HIS A 40 -4.031 11.148 -2.624 1.00 34.56 O +ATOM 610 CB HIS A 40 -6.734 11.706 -4.042 1.00 66.38 C +ATOM 611 HB1 HIS A 40 -7.035 11.567 -5.081 1.00 0.00 H +ATOM 612 HB2 HIS A 40 -6.567 10.733 -3.580 1.00 0.00 H +ATOM 613 CG HIS A 40 -7.844 12.393 -3.314 1.00 66.38 C +ATOM 614 ND1 HIS A 40 -8.717 11.730 -2.479 1.00 66.38 N +ATOM 615 CD2 HIS A 40 -8.230 13.695 -3.304 1.00 66.38 C +ATOM 616 HD2 HIS A 40 -7.763 14.513 -3.853 1.00 0.00 H +ATOM 617 CE1 HIS A 40 -9.595 12.589 -1.986 1.00 66.38 C +ATOM 618 HE1 HIS A 40 -10.406 12.349 -1.298 1.00 0.00 H +ATOM 619 NE2 HIS A 40 -9.320 13.788 -2.472 1.00 66.38 N +ATOM 620 N VAL A 41 -4.730 13.104 -1.788 1.00 18.19 N +ATOM 621 H VAL A 41 -5.292 13.965 -1.944 1.00 0.00 H +ATOM 622 CA VAL A 41 -4.024 12.936 -0.533 1.00 18.19 C +ATOM 623 HA VAL A 41 -3.718 11.892 -0.471 1.00 0.00 H +ATOM 624 C VAL A 41 -4.918 13.250 0.655 1.00 18.19 C +ATOM 625 O VAL A 41 -5.618 14.261 0.664 1.00 18.19 O +ATOM 626 CB VAL A 41 -2.770 13.847 -0.487 1.00 19.08 C +ATOM 627 HB VAL A 41 -3.054 14.823 -0.880 1.00 0.00 H +ATOM 628 CG1 VAL A 41 -2.278 14.008 0.925 1.00 19.08 C +ATOM 629 1HG1 VAL A 41 -3.063 14.459 1.533 1.00 0.00 H +ATOM 630 2HG1 VAL A 41 -2.018 13.031 1.331 1.00 0.00 H +ATOM 631 3HG1 VAL A 41 -1.398 14.651 0.931 1.00 0.00 H +ATOM 632 CG2 VAL A 41 -1.653 13.262 -1.341 1.00 19.08 C +ATOM 633 1HG2 VAL A 41 -1.388 12.275 -0.963 1.00 0.00 H +ATOM 634 2HG2 VAL A 41 -1.993 13.178 -2.373 1.00 0.00 H +ATOM 635 3HG2 VAL A 41 -0.782 13.916 -1.295 1.00 0.00 H +ATOM 636 N GLU A 42 -4.957 12.322 1.609 1.00 55.03 N +ATOM 637 H GLU A 42 -4.426 11.438 1.473 1.00 0.00 H +ATOM 638 CA GLU A 42 -5.718 12.503 2.836 1.00 55.03 C +ATOM 639 HA GLU A 42 -6.256 13.451 2.811 1.00 0.00 H +ATOM 640 C GLU A 42 -4.696 12.434 3.968 1.00 55.03 C +ATOM 641 O GLU A 42 -3.853 11.533 4.015 1.00 55.03 O +ATOM 642 CB GLU A 42 -6.779 11.418 3.027 1.00101.35 C +ATOM 643 HB1 GLU A 42 -7.284 11.249 2.076 1.00 0.00 H +ATOM 644 HB2 GLU A 42 -6.287 10.498 3.344 1.00 0.00 H +ATOM 645 CG GLU A 42 -7.824 11.807 4.078 1.00101.35 C +ATOM 646 HG1 GLU A 42 -7.337 12.426 4.831 1.00 0.00 H +ATOM 647 HG2 GLU A 42 -8.606 12.385 3.585 1.00 0.00 H +ATOM 648 CD GLU A 42 -8.476 10.626 4.781 1.00101.35 C +ATOM 649 OE1 GLU A 42 -8.572 9.531 4.185 1.00101.35 O +ATOM 650 OE2 GLU A 42 -8.903 10.805 5.943 1.00101.35 O +ATOM 651 N ILE A 43 -4.744 13.415 4.855 1.00 45.24 N +ATOM 652 H ILE A 43 -5.459 14.163 4.750 1.00 0.00 H +ATOM 653 CA ILE A 43 -3.821 13.466 5.967 1.00 45.24 C +ATOM 654 HA ILE A 43 -3.243 12.542 5.972 1.00 0.00 H +ATOM 655 C ILE A 43 -4.592 13.605 7.269 1.00 45.24 C +ATOM 656 O ILE A 43 -5.471 14.467 7.379 1.00 45.24 O +ATOM 657 CB ILE A 43 -2.847 14.666 5.824 1.00 33.36 C +ATOM 658 HB ILE A 43 -3.425 15.534 5.506 1.00 0.00 H +ATOM 659 CG1 ILE A 43 -1.783 14.369 4.766 1.00 33.36 C +ATOM 660 1HG1 ILE A 43 -1.234 13.477 5.067 1.00 0.00 H +ATOM 661 2HG1 ILE A 43 -2.282 14.183 3.815 1.00 0.00 H +ATOM 662 CG2 ILE A 43 -2.183 14.995 7.164 1.00 33.36 C +ATOM 663 1HG2 ILE A 43 -2.950 15.251 7.895 1.00 0.00 H +ATOM 664 2HG2 ILE A 43 -1.622 14.128 7.513 1.00 0.00 H +ATOM 665 3HG2 ILE A 43 -1.506 15.839 7.035 1.00 0.00 H +ATOM 666 CD1 ILE A 43 -0.798 15.498 4.579 1.00 33.36 C +ATOM 667 1HD1 ILE A 43 -1.331 16.396 4.267 1.00 0.00 H +ATOM 668 2HD1 ILE A 43 -0.283 15.689 5.520 1.00 0.00 H +ATOM 669 3HD1 ILE A 43 -0.071 15.222 3.815 1.00 0.00 H +ATOM 670 N ARG A 44 -4.300 12.707 8.216 1.00 31.45 N +ATOM 671 H ARG A 44 -3.610 11.961 7.992 1.00 0.00 H +ATOM 672 CA ARG A 44 -4.901 12.719 9.552 1.00 31.45 C +ATOM 673 HA ARG A 44 -5.719 13.434 9.645 1.00 0.00 H +ATOM 674 C ARG A 44 -3.729 13.041 10.472 1.00 31.45 C +ATOM 675 O ARG A 44 -2.650 12.461 10.313 1.00 31.45 O +ATOM 676 CB ARG A 44 -5.492 11.350 9.886 1.00 69.29 C +ATOM 677 HB1 ARG A 44 -4.693 10.610 9.853 1.00 0.00 H +ATOM 678 HB2 ARG A 44 -5.908 11.388 10.893 1.00 0.00 H +ATOM 679 CG ARG A 44 -6.588 10.921 8.926 1.00 69.29 C +ATOM 680 HG1 ARG A 44 -6.902 11.787 8.343 1.00 0.00 H +ATOM 681 HG2 ARG A 44 -6.189 10.159 8.257 1.00 0.00 H +ATOM 682 CD ARG A 44 -7.798 10.353 9.647 1.00 69.29 C +ATOM 683 HD1 ARG A 44 -8.652 10.373 8.969 1.00 0.00 H +ATOM 684 HD2 ARG A 44 -8.011 10.974 10.517 1.00 0.00 H +ATOM 685 NE ARG A 44 -7.584 8.981 10.091 1.00 69.29 N +ATOM 686 HE ARG A 44 -7.293 8.829 11.078 1.00 0.00 H +ATOM 687 CZ ARG A 44 -7.737 7.911 9.315 1.00 69.29 C +ATOM 688 NH1 ARG A 44 -8.110 8.053 8.048 1.00 69.29 N +ATOM 689 1HH1 ARG A 44 -8.283 9.002 7.660 1.00 0.00 H +ATOM 690 2HH1 ARG A 44 -8.229 7.215 7.444 1.00 0.00 H +ATOM 691 NH2 ARG A 44 -7.505 6.695 9.806 1.00 69.29 N +ATOM 692 1HH2 ARG A 44 -7.204 6.582 10.795 1.00 0.00 H +ATOM 693 2HH2 ARG A 44 -7.624 5.858 9.200 1.00 0.00 H +ATOM 694 N GLN A 45 -3.909 13.996 11.383 1.00 49.04 N +ATOM 695 H GLN A 45 -4.830 14.473 11.453 1.00 0.00 H +ATOM 696 CA GLN A 45 -2.822 14.382 12.289 1.00 49.04 C +ATOM 697 HA GLN A 45 -2.202 13.486 12.318 1.00 0.00 H +ATOM 698 C GLN A 45 -3.217 14.689 13.727 1.00 49.04 C +ATOM 699 O GLN A 45 -3.955 15.647 13.978 1.00 49.04 O +ATOM 700 CB GLN A 45 -2.068 15.604 11.752 1.00 39.30 C +ATOM 701 HB1 GLN A 45 -1.557 15.322 10.831 1.00 0.00 H +ATOM 702 HB2 GLN A 45 -2.789 16.394 11.540 1.00 0.00 H +ATOM 703 CG GLN A 45 -1.031 16.140 12.744 1.00 39.30 C +ATOM 704 HG1 GLN A 45 -1.431 16.032 13.752 1.00 0.00 H +ATOM 705 HG2 GLN A 45 -0.123 15.544 12.649 1.00 0.00 H +ATOM 706 CD GLN A 45 -0.675 17.592 12.524 1.00 39.30 C +ATOM 707 OE1 GLN A 45 0.481 17.988 12.663 1.00 39.30 O +ATOM 708 NE2 GLN A 45 -1.675 18.405 12.222 1.00 39.30 N +ATOM 709 1HE2 GLN A 45 -1.498 19.422 12.093 1.00 0.00 H +ATOM 710 2HE2 GLN A 45 -2.638 18.027 12.114 1.00 0.00 H +ATOM 711 N ASP A 46 -2.644 13.936 14.667 1.00 83.25 N +ATOM 712 H ASP A 46 -1.995 13.178 14.374 1.00 0.00 H +ATOM 713 CA ASP A 46 -2.893 14.135 16.095 1.00 83.25 C +ATOM 714 HA ASP A 46 -3.619 14.940 16.210 1.00 0.00 H +ATOM 715 C ASP A 46 -1.590 14.523 16.791 1.00 83.25 C +ATOM 716 O ASP A 46 -0.865 13.675 17.309 1.00 83.25 O +ATOM 717 CB ASP A 46 -3.497 12.871 16.743 1.00 85.21 C +ATOM 718 HB1 ASP A 46 -4.477 12.690 16.301 1.00 0.00 H +ATOM 719 HB2 ASP A 46 -2.842 12.026 16.531 1.00 0.00 H +ATOM 720 CG ASP A 46 -3.663 12.991 18.272 1.00 85.21 C +ATOM 721 OD1 ASP A 46 -3.825 14.123 18.785 1.00 85.21 O +ATOM 722 OD2 ASP A 46 -3.633 11.940 18.960 1.00 85.21 O +ATOM 723 N GLY A 47 -1.285 15.812 16.769 1.00 27.31 N +ATOM 724 H GLY A 47 -1.914 16.479 16.277 1.00 0.00 H +ATOM 725 CA GLY A 47 -0.089 16.307 17.420 1.00 27.31 C +ATOM 726 HA1 GLY A 47 -0.160 17.394 17.467 1.00 0.00 H +ATOM 727 HA2 GLY A 47 -0.067 15.902 18.432 1.00 0.00 H +ATOM 728 C GLY A 47 1.214 15.958 16.755 1.00 27.31 C +ATOM 729 O GLY A 47 1.864 16.824 16.193 1.00 27.31 O +ATOM 730 N ASP A 48 1.641 14.714 16.895 1.00 29.93 N +ATOM 731 H ASP A 48 1.075 14.046 17.456 1.00 0.00 H +ATOM 732 CA ASP A 48 2.884 14.252 16.285 1.00 29.93 C +ATOM 733 HA ASP A 48 3.228 15.004 15.574 1.00 0.00 H +ATOM 734 C ASP A 48 2.617 12.932 15.586 1.00 29.93 C +ATOM 735 O ASP A 48 3.517 12.347 15.003 1.00 29.93 O +ATOM 736 CB ASP A 48 3.983 14.057 17.338 1.00 56.39 C +ATOM 737 HB1 ASP A 48 3.518 13.732 18.269 1.00 0.00 H +ATOM 738 HB2 ASP A 48 4.667 13.284 16.986 1.00 0.00 H +ATOM 739 CG ASP A 48 4.784 15.325 17.613 1.00 56.39 C +ATOM 740 OD1 ASP A 48 4.347 16.441 17.242 1.00 56.39 O +ATOM 741 OD2 ASP A 48 5.873 15.200 18.209 1.00 56.39 O +ATOM 742 N GLN A 49 1.392 12.434 15.719 1.00 35.39 N +ATOM 743 H GLN A 49 0.698 12.955 16.292 1.00 0.00 H +ATOM 744 CA GLN A 49 0.990 11.187 15.091 1.00 35.39 C +ATOM 745 HA GLN A 49 1.819 10.491 14.961 1.00 0.00 H +ATOM 746 C GLN A 49 0.391 11.624 13.772 1.00 35.39 C +ATOM 747 O GLN A 49 -0.446 12.524 13.736 1.00 35.39 O +ATOM 748 CB GLN A 49 -0.038 10.442 15.956 1.00 85.03 C +ATOM 749 HB1 GLN A 49 -0.853 11.127 16.188 1.00 0.00 H +ATOM 750 HB2 GLN A 49 -0.425 9.600 15.382 1.00 0.00 H +ATOM 751 CG GLN A 49 0.537 9.904 17.280 1.00 85.03 C +ATOM 752 HG1 GLN A 49 0.925 8.901 17.106 1.00 0.00 H +ATOM 753 HG2 GLN A 49 1.351 10.558 17.594 1.00 0.00 H +ATOM 754 CD GLN A 49 -0.493 9.836 18.407 1.00 85.03 C +ATOM 755 OE1 GLN A 49 -1.224 8.853 18.539 1.00 85.03 O +ATOM 756 NE2 GLN A 49 -0.548 10.886 19.227 1.00 85.03 N +ATOM 757 1HE2 GLN A 49 -1.227 10.896 20.015 1.00 0.00 H +ATOM 758 2HE2 GLN A 49 0.088 11.695 19.079 1.00 0.00 H +ATOM 759 N PHE A 50 0.893 11.041 12.690 1.00 38.42 N +ATOM 760 H PHE A 50 1.636 10.323 12.809 1.00 0.00 H +ATOM 761 CA PHE A 50 0.446 11.365 11.346 1.00 38.42 C +ATOM 762 HA PHE A 50 -0.403 12.041 11.445 1.00 0.00 H +ATOM 763 C PHE A 50 0.049 10.111 10.595 1.00 38.42 C +ATOM 764 O PHE A 50 0.638 9.044 10.791 1.00 38.42 O +ATOM 765 CB PHE A 50 1.582 12.019 10.546 1.00 35.17 C +ATOM 766 HB1 PHE A 50 2.497 11.457 10.734 1.00 0.00 H +ATOM 767 HB2 PHE A 50 1.331 11.957 9.487 1.00 0.00 H +ATOM 768 CG PHE A 50 1.841 13.466 10.884 1.00 35.17 C +ATOM 769 CD1 PHE A 50 2.762 13.814 11.863 1.00 35.17 C +ATOM 770 HD1 PHE A 50 3.271 13.032 12.426 1.00 0.00 H +ATOM 771 CD2 PHE A 50 1.204 14.479 10.185 1.00 35.17 C +ATOM 772 HD2 PHE A 50 0.476 14.227 9.414 1.00 0.00 H +ATOM 773 CE1 PHE A 50 3.042 15.149 12.134 1.00 35.17 C +ATOM 774 HE1 PHE A 50 3.768 15.409 12.904 1.00 0.00 H +ATOM 775 CE2 PHE A 50 1.482 15.804 10.455 1.00 35.17 C +ATOM 776 HE2 PHE A 50 0.972 16.589 9.896 1.00 0.00 H +ATOM 777 CZ PHE A 50 2.401 16.141 11.428 1.00 35.17 C +ATOM 778 HZ PHE A 50 2.618 17.189 11.636 1.00 0.00 H +ATOM 779 N TYR A 51 -0.938 10.262 9.717 1.00 39.25 N +ATOM 780 H TYR A 51 -1.400 11.192 9.650 1.00 0.00 H +ATOM 781 CA TYR A 51 -1.408 9.192 8.842 1.00 39.25 C +ATOM 782 HA TYR A 51 -0.761 8.316 8.872 1.00 0.00 H +ATOM 783 C TYR A 51 -1.487 9.875 7.493 1.00 39.25 C +ATOM 784 O TYR A 51 -2.254 10.827 7.327 1.00 39.25 O +ATOM 785 CB TYR A 51 -2.792 8.716 9.239 1.00 31.19 C +ATOM 786 HB1 TYR A 51 -2.695 8.038 10.087 1.00 0.00 H +ATOM 787 HB2 TYR A 51 -3.385 9.582 9.533 1.00 0.00 H +ATOM 788 CG TYR A 51 -3.517 7.993 8.127 1.00 31.19 C +ATOM 789 CD1 TYR A 51 -3.125 6.735 7.729 1.00 31.19 C +ATOM 790 HD1 TYR A 51 -2.269 6.263 8.211 1.00 0.00 H +ATOM 791 CD2 TYR A 51 -4.610 8.572 7.488 1.00 31.19 C +ATOM 792 HD2 TYR A 51 -4.936 9.569 7.783 1.00 0.00 H +ATOM 793 CE1 TYR A 51 -3.792 6.066 6.737 1.00 31.19 C +ATOM 794 HE1 TYR A 51 -3.464 5.071 6.436 1.00 0.00 H +ATOM 795 CE2 TYR A 51 -5.287 7.908 6.490 1.00 31.19 C +ATOM 796 HE2 TYR A 51 -6.141 8.375 5.998 1.00 0.00 H +ATOM 797 CZ TYR A 51 -4.874 6.648 6.120 1.00 31.19 C +ATOM 798 OH TYR A 51 -5.547 5.930 5.154 1.00 31.19 O +ATOM 799 HH TYR A 51 -5.104 5.054 5.027 1.00 0.00 H +ATOM 800 N ILE A 52 -0.659 9.433 6.553 1.00 21.78 N +ATOM 801 H ILE A 52 -0.018 8.642 6.764 1.00 0.00 H +ATOM 802 CA ILE A 52 -0.637 10.042 5.230 1.00 21.78 C +ATOM 803 HA ILE A 52 -1.426 10.794 5.233 1.00 0.00 H +ATOM 804 C ILE A 52 -0.911 9.022 4.139 1.00 21.78 C +ATOM 805 O ILE A 52 -0.074 8.158 3.849 1.00 21.78 O +ATOM 806 CB ILE A 52 0.710 10.719 4.935 1.00 22.19 C +ATOM 807 HB ILE A 52 1.470 9.938 4.933 1.00 0.00 H +ATOM 808 CG1 ILE A 52 1.034 11.776 5.979 1.00 22.19 C +ATOM 809 1HG1 ILE A 52 0.321 12.595 5.881 1.00 0.00 H +ATOM 810 2HG1 ILE A 52 0.940 11.330 6.969 1.00 0.00 H +ATOM 811 CG2 ILE A 52 0.636 11.440 3.615 1.00 22.19 C +ATOM 812 1HG2 ILE A 52 0.409 10.725 2.824 1.00 0.00 H +ATOM 813 2HG2 ILE A 52 -0.148 12.196 3.659 1.00 0.00 H +ATOM 814 3HG2 ILE A 52 1.594 11.919 3.410 1.00 0.00 H +ATOM 815 CD1 ILE A 52 2.433 12.330 5.827 1.00 22.19 C +ATOM 816 1HD1 ILE A 52 3.156 11.521 5.932 1.00 0.00 H +ATOM 817 2HD1 ILE A 52 2.537 12.787 4.843 1.00 0.00 H +ATOM 818 3HD1 ILE A 52 2.611 13.080 6.597 1.00 0.00 H +ATOM 819 N LYS A 53 -2.089 9.153 3.535 1.00 25.20 N +ATOM 820 H LYS A 53 -2.721 9.918 3.847 1.00 0.00 H +ATOM 821 CA LYS A 53 -2.541 8.278 2.457 1.00 25.20 C +ATOM 822 HA LYS A 53 -1.896 7.401 2.411 1.00 0.00 H +ATOM 823 C LYS A 53 -2.463 8.998 1.111 1.00 25.20 C +ATOM 824 O LYS A 53 -3.188 9.960 0.872 1.00 25.20 O +ATOM 825 CB LYS A 53 -3.980 7.851 2.738 1.00 63.11 C +ATOM 826 HB1 LYS A 53 -3.950 7.008 3.428 1.00 0.00 H +ATOM 827 HB2 LYS A 53 -4.492 8.689 3.212 1.00 0.00 H +ATOM 828 CG LYS A 53 -4.788 7.436 1.533 1.00 63.11 C +ATOM 829 HG1 LYS A 53 -5.848 7.519 1.775 1.00 0.00 H +ATOM 830 HG2 LYS A 53 -4.552 8.104 0.705 1.00 0.00 H +ATOM 831 CD LYS A 53 -4.497 6.027 1.114 1.00 63.11 C +ATOM 832 HD1 LYS A 53 -3.575 6.003 0.533 1.00 0.00 H +ATOM 833 HD2 LYS A 53 -4.384 5.400 1.998 1.00 0.00 H +ATOM 834 CE LYS A 53 -5.643 5.507 0.268 1.00 63.11 C +ATOM 835 HE1 LYS A 53 -5.431 4.477 -0.017 1.00 0.00 H +ATOM 836 HE2 LYS A 53 -5.726 6.121 -0.629 1.00 0.00 H +ATOM 837 NZ LYS A 53 -6.941 5.547 1.002 1.00 63.11 N +ATOM 838 HZ1 LYS A 53 -6.873 4.958 1.856 1.00 0.00 H +ATOM 839 HZ2 LYS A 53 -7.155 6.528 1.272 1.00 0.00 H +ATOM 840 HZ3 LYS A 53 -7.697 5.183 0.387 1.00 0.00 H +ATOM 841 N THR A 54 -1.561 8.550 0.251 1.00 23.06 N +ATOM 842 H THR A 54 -0.951 7.752 0.519 1.00 0.00 H +ATOM 843 CA THR A 54 -1.410 9.154 -1.059 1.00 23.06 C +ATOM 844 HA THR A 54 -2.038 10.044 -1.109 1.00 0.00 H +ATOM 845 C THR A 54 -1.863 8.177 -2.135 1.00 23.06 C +ATOM 846 O THR A 54 -1.160 7.219 -2.465 1.00 23.06 O +ATOM 847 CB THR A 54 0.032 9.592 -1.292 1.00 34.11 C +ATOM 848 HB THR A 54 0.699 8.783 -0.994 1.00 0.00 H +ATOM 849 OG1 THR A 54 0.292 10.764 -0.515 1.00 34.11 O +ATOM 850 HG1 THR A 54 1.227 11.055 -0.661 1.00 0.00 H +ATOM 851 CG2 THR A 54 0.274 9.896 -2.755 1.00 34.11 C +ATOM 852 1HG2 THR A 54 -0.391 10.699 -3.073 1.00 0.00 H +ATOM 853 2HG2 THR A 54 1.310 10.204 -2.894 1.00 0.00 H +ATOM 854 3HG2 THR A 54 0.076 9.003 -3.348 1.00 0.00 H +ATOM 855 N SER A 55 -3.023 8.464 -2.714 1.00 28.75 N +ATOM 856 H SER A 55 -3.527 9.331 -2.438 1.00 0.00 H +ATOM 857 CA SER A 55 -3.602 7.600 -3.720 1.00 28.75 C +ATOM 858 HA SER A 55 -2.978 6.706 -3.725 1.00 0.00 H +ATOM 859 C SER A 55 -3.541 8.095 -5.169 1.00 28.75 C +ATOM 860 O SER A 55 -3.814 9.261 -5.460 1.00 28.75 O +ATOM 861 CB SER A 55 -5.050 7.304 -3.331 1.00 63.93 C +ATOM 862 HB1 SER A 55 -5.690 8.100 -3.713 1.00 0.00 H +ATOM 863 HB2 SER A 55 -5.125 7.268 -2.244 1.00 0.00 H +ATOM 864 OG SER A 55 -5.485 6.067 -3.864 1.00 63.93 O +ATOM 865 HG SER A 55 -4.911 5.339 -3.517 1.00 0.00 H +ATOM 866 N THR A 56 -3.141 7.198 -6.066 1.00 55.11 N +ATOM 867 H THR A 56 -2.859 6.254 -5.732 1.00 0.00 H +ATOM 868 CA THR A 56 -3.080 7.478 -7.497 1.00 55.11 C +ATOM 869 HA THR A 56 -3.701 8.346 -7.718 1.00 0.00 H +ATOM 870 C THR A 56 -3.522 6.185 -8.178 1.00 55.11 C +ATOM 871 O THR A 56 -3.546 5.123 -7.551 1.00 55.11 O +ATOM 872 CB THR A 56 -1.671 7.802 -7.992 1.00 17.53 C +ATOM 873 HB THR A 56 -1.756 8.324 -8.945 1.00 0.00 H +ATOM 874 OG1 THR A 56 -0.935 6.587 -8.155 1.00 17.53 O +ATOM 875 HG1 THR A 56 -0.881 6.116 -7.286 1.00 0.00 H +ATOM 876 CG2 THR A 56 -0.937 8.706 -7.016 1.00 17.53 C +ATOM 877 1HG2 THR A 56 -0.846 8.202 -6.054 1.00 0.00 H +ATOM 878 2HG2 THR A 56 0.056 8.929 -7.406 1.00 0.00 H +ATOM 879 3HG2 THR A 56 -1.496 9.633 -6.890 1.00 0.00 H +ATOM 880 N THR A 57 -3.782 6.251 -9.475 1.00 59.10 N +ATOM 881 H THR A 57 -3.650 7.154 -9.974 1.00 0.00 H +ATOM 882 CA THR A 57 -4.248 5.089 -10.218 1.00 59.10 C +ATOM 883 HA THR A 57 -5.124 4.772 -9.653 1.00 0.00 H +ATOM 884 C THR A 57 -3.387 3.822 -10.193 1.00 59.10 C +ATOM 885 O THR A 57 -3.912 2.739 -9.943 1.00 59.10 O +ATOM 886 CB THR A 57 -4.637 5.486 -11.659 1.00 61.84 C +ATOM 887 HB THR A 57 -4.407 6.543 -11.796 1.00 0.00 H +ATOM 888 OG1 THR A 57 -6.037 5.247 -11.840 1.00 61.84 O +ATOM 889 HG1 THR A 57 -6.297 5.498 -12.762 1.00 0.00 H +ATOM 890 CG2 THR A 57 -3.835 4.713 -12.710 1.00 61.84 C +ATOM 891 1HG2 THR A 57 -4.034 3.647 -12.605 1.00 0.00 H +ATOM 892 2HG2 THR A 57 -4.131 5.043 -13.706 1.00 0.00 H +ATOM 893 3HG2 THR A 57 -2.771 4.901 -12.564 1.00 0.00 H +ATOM 894 N VAL A 58 -2.082 3.938 -10.428 1.00 47.73 N +ATOM 895 H VAL A 58 -1.671 4.875 -10.614 1.00 0.00 H +ATOM 896 CA VAL A 58 -1.224 2.753 -10.426 1.00 47.73 C +ATOM 897 HA VAL A 58 -1.940 1.956 -10.625 1.00 0.00 H +ATOM 898 C VAL A 58 -0.535 2.431 -9.110 1.00 47.73 C +ATOM 899 O VAL A 58 0.207 1.455 -9.037 1.00 47.73 O +ATOM 900 CB VAL A 58 -0.144 2.818 -11.500 1.00 22.13 C +ATOM 901 HB VAL A 58 0.474 1.921 -11.452 1.00 0.00 H +ATOM 902 CG1 VAL A 58 -0.790 2.873 -12.856 1.00 22.13 C +ATOM 903 1HG1 VAL A 58 -1.398 1.980 -13.004 1.00 0.00 H +ATOM 904 2HG1 VAL A 58 -1.422 3.759 -12.920 1.00 0.00 H +ATOM 905 3HG1 VAL A 58 -0.017 2.919 -13.623 1.00 0.00 H +ATOM 906 CG2 VAL A 58 0.774 4.008 -11.262 1.00 22.13 C +ATOM 907 1HG2 VAL A 58 0.190 4.928 -11.291 1.00 0.00 H +ATOM 908 2HG2 VAL A 58 1.250 3.909 -10.286 1.00 0.00 H +ATOM 909 3HG2 VAL A 58 1.538 4.037 -12.039 1.00 0.00 H +ATOM 910 N ARG A 59 -0.759 3.250 -8.083 1.00 44.78 N +ATOM 911 H ARG A 59 -1.389 4.067 -8.214 1.00 0.00 H +ATOM 912 CA ARG A 59 -0.142 3.030 -6.778 1.00 44.78 C +ATOM 913 HA ARG A 59 -0.405 2.008 -6.507 1.00 0.00 H +ATOM 914 C ARG A 59 -0.679 3.932 -5.687 1.00 44.78 C +ATOM 915 O ARG A 59 -0.675 5.160 -5.803 1.00 44.78 O +ATOM 916 CB ARG A 59 1.378 3.176 -6.854 1.00 51.56 C +ATOM 917 HB1 ARG A 59 1.813 2.183 -6.972 1.00 0.00 H +ATOM 918 HB2 ARG A 59 1.621 3.784 -7.726 1.00 0.00 H +ATOM 919 CG ARG A 59 1.994 3.824 -5.635 1.00 51.56 C +ATOM 920 HG1 ARG A 59 1.669 4.863 -5.586 1.00 0.00 H +ATOM 921 HG2 ARG A 59 1.653 3.296 -4.744 1.00 0.00 H +ATOM 922 CD ARG A 59 3.494 3.785 -5.679 1.00 51.56 C +ATOM 923 HD1 ARG A 59 3.889 4.625 -5.107 1.00 0.00 H +ATOM 924 HD2 ARG A 59 3.822 3.867 -6.715 1.00 0.00 H +ATOM 925 NE ARG A 59 4.005 2.543 -5.115 1.00 51.56 N +ATOM 926 HE ARG A 59 3.448 1.676 -5.253 1.00 0.00 H +ATOM 927 CZ ARG A 59 5.143 2.455 -4.434 1.00 51.56 C +ATOM 928 NH1 ARG A 59 5.886 3.542 -4.240 1.00 51.56 N +ATOM 929 1HH1 ARG A 59 5.576 4.459 -4.621 1.00 0.00 H +ATOM 930 2HH1 ARG A 59 6.777 3.475 -3.707 1.00 0.00 H +ATOM 931 NH2 ARG A 59 5.530 1.286 -3.932 1.00 51.56 N +ATOM 932 1HH2 ARG A 59 4.942 0.440 -4.072 1.00 0.00 H +ATOM 933 2HH2 ARG A 59 6.421 1.218 -3.399 1.00 0.00 H +ATOM 934 N THR A 60 -1.065 3.300 -4.589 1.00 57.30 N +ATOM 935 H THR A 60 -0.983 2.264 -4.555 1.00 0.00 H +ATOM 936 CA THR A 60 -1.597 3.995 -3.433 1.00 57.30 C +ATOM 937 HA THR A 60 -1.556 5.072 -3.595 1.00 0.00 H +ATOM 938 C THR A 60 -0.758 3.625 -2.217 1.00 57.30 C +ATOM 939 O THR A 60 -0.372 2.467 -2.043 1.00 57.30 O +ATOM 940 CB THR A 60 -3.063 3.598 -3.208 1.00 45.41 C +ATOM 941 HB THR A 60 -3.116 2.516 -3.090 1.00 0.00 H +ATOM 942 OG1 THR A 60 -3.833 4.020 -4.337 1.00 45.41 O +ATOM 943 HG1 THR A 60 -3.762 5.003 -4.435 1.00 0.00 H +ATOM 944 CG2 THR A 60 -3.619 4.230 -1.958 1.00 45.41 C +ATOM 945 1HG2 THR A 60 -3.569 5.315 -2.048 1.00 0.00 H +ATOM 946 2HG2 THR A 60 -4.656 3.922 -1.827 1.00 0.00 H +ATOM 947 3HG2 THR A 60 -3.032 3.908 -1.098 1.00 0.00 H +ATOM 948 N THR A 61 -0.423 4.620 -1.406 1.00 30.35 N +ATOM 949 H THR A 61 -0.727 5.590 -1.625 1.00 0.00 H +ATOM 950 CA THR A 61 0.364 4.362 -0.217 1.00 30.35 C +ATOM 951 HA THR A 61 0.395 3.276 -0.124 1.00 0.00 H +ATOM 952 C THR A 61 -0.258 4.964 1.023 1.00 30.35 C +ATOM 953 O THR A 61 -0.983 5.963 0.961 1.00 30.35 O +ATOM 954 CB THR A 61 1.757 4.910 -0.337 1.00 29.07 C +ATOM 955 HB THR A 61 2.293 4.743 0.597 1.00 0.00 H +ATOM 956 OG1 THR A 61 1.677 6.305 -0.616 1.00 29.07 O +ATOM 957 HG1 THR A 61 1.198 6.761 0.121 1.00 0.00 H +ATOM 958 CG2 THR A 61 2.498 4.218 -1.440 1.00 29.07 C +ATOM 959 1HG2 THR A 61 1.970 4.370 -2.382 1.00 0.00 H +ATOM 960 2HG2 THR A 61 3.504 4.631 -1.515 1.00 0.00 H +ATOM 961 3HG2 THR A 61 2.557 3.151 -1.223 1.00 0.00 H +ATOM 962 N GLU A 62 0.020 4.319 2.149 1.00 50.42 N +ATOM 963 H GLU A 62 0.615 3.467 2.107 1.00 0.00 H +ATOM 964 CA GLU A 62 -0.477 4.762 3.431 1.00 50.42 C +ATOM 965 HA GLU A 62 -0.852 5.783 3.364 1.00 0.00 H +ATOM 966 C GLU A 62 0.673 4.649 4.407 1.00 50.42 C +ATOM 967 O GLU A 62 1.303 3.599 4.481 1.00 50.42 O +ATOM 968 CB GLU A 62 -1.622 3.860 3.899 1.00 48.36 C +ATOM 969 HB1 GLU A 62 -1.204 2.892 4.178 1.00 0.00 H +ATOM 970 HB2 GLU A 62 -2.085 4.319 4.772 1.00 0.00 H +ATOM 971 CG GLU A 62 -2.695 3.633 2.854 1.00 48.36 C +ATOM 972 HG1 GLU A 62 -2.968 4.597 2.424 1.00 0.00 H +ATOM 973 HG2 GLU A 62 -2.287 2.991 2.073 1.00 0.00 H +ATOM 974 CD GLU A 62 -3.950 2.980 3.406 1.00 48.36 C +ATOM 975 OE1 GLU A 62 -4.757 3.692 4.039 1.00 48.36 O +ATOM 976 OE2 GLU A 62 -4.147 1.765 3.178 1.00 48.36 O +ATOM 977 N ILE A 63 1.047 5.758 5.036 1.00 29.88 N +ATOM 978 H ILE A 63 0.583 6.660 4.806 1.00 0.00 H +ATOM 979 CA ILE A 63 2.101 5.726 6.046 1.00 29.88 C +ATOM 980 HA ILE A 63 2.451 4.695 6.104 1.00 0.00 H +ATOM 981 C ILE A 63 1.500 6.245 7.335 1.00 29.88 C +ATOM 982 O ILE A 63 0.534 7.015 7.321 1.00 29.88 O +ATOM 983 CB ILE A 63 3.365 6.582 5.716 1.00 37.06 C +ATOM 984 HB ILE A 63 4.029 6.541 6.579 1.00 0.00 H +ATOM 985 CG1 ILE A 63 3.004 8.048 5.498 1.00 37.06 C +ATOM 986 1HG1 ILE A 63 2.432 8.134 4.574 1.00 0.00 H +ATOM 987 2HG1 ILE A 63 2.393 8.386 6.335 1.00 0.00 H +ATOM 988 CG2 ILE A 63 4.117 6.011 4.542 1.00 37.06 C +ATOM 989 1HG2 ILE A 63 4.435 4.995 4.775 1.00 0.00 H +ATOM 990 2HG2 ILE A 63 3.467 5.998 3.667 1.00 0.00 H +ATOM 991 3HG2 ILE A 63 4.991 6.629 4.337 1.00 0.00 H +ATOM 992 CD1 ILE A 63 4.226 8.937 5.397 1.00 37.06 C +ATOM 993 1HD1 ILE A 63 4.803 8.866 6.319 1.00 0.00 H +ATOM 994 2HD1 ILE A 63 4.841 8.613 4.557 1.00 0.00 H +ATOM 995 3HD1 ILE A 63 3.911 9.969 5.242 1.00 0.00 H +ATOM 996 N ASN A 64 2.026 5.745 8.444 1.00 58.96 N +ATOM 997 H ASN A 64 2.783 5.037 8.362 1.00 0.00 H +ATOM 998 CA ASN A 64 1.586 6.147 9.770 1.00 58.96 C +ATOM 999 HA ASN A 64 0.993 7.062 9.755 1.00 0.00 H +ATOM 1000 C ASN A 64 2.877 6.291 10.558 1.00 58.96 C +ATOM 1001 O ASN A 64 3.632 5.328 10.697 1.00 58.96 O +ATOM 1002 CB ASN A 64 0.706 5.063 10.394 1.00 66.44 C +ATOM 1003 HB1 ASN A 64 1.296 4.153 10.501 1.00 0.00 H +ATOM 1004 HB2 ASN A 64 0.381 5.401 11.378 1.00 0.00 H +ATOM 1005 CG ASN A 64 -0.525 4.750 9.555 1.00 66.44 C +ATOM 1006 OD1 ASN A 64 -1.637 5.155 9.896 1.00 66.44 O +ATOM 1007 ND2 ASN A 64 -0.332 4.021 8.455 1.00 66.44 N +ATOM 1008 1HD2 ASN A 64 -1.139 3.773 7.847 1.00 0.00 H +ATOM 1009 2HD2 ASN A 64 0.625 3.700 8.205 1.00 0.00 H +ATOM 1010 N PHE A 65 3.168 7.503 11.015 1.00 30.88 N +ATOM 1011 H PHE A 65 2.519 8.296 10.837 1.00 0.00 H +ATOM 1012 CA PHE A 65 4.394 7.722 11.764 1.00 30.88 C +ATOM 1013 HA PHE A 65 4.657 6.786 12.256 1.00 0.00 H +ATOM 1014 C PHE A 65 4.209 8.781 12.840 1.00 30.88 C +ATOM 1015 O PHE A 65 3.252 9.560 12.788 1.00 30.88 O +ATOM 1016 CB PHE A 65 5.524 8.135 10.812 1.00 41.32 C +ATOM 1017 HB1 PHE A 65 6.445 8.221 11.389 1.00 0.00 H +ATOM 1018 HB2 PHE A 65 5.640 7.356 10.059 1.00 0.00 H +ATOM 1019 CG PHE A 65 5.282 9.450 10.103 1.00 41.32 C +ATOM 1020 CD1 PHE A 65 4.570 9.490 8.909 1.00 41.32 C +ATOM 1021 HD1 PHE A 65 4.177 8.565 8.486 1.00 0.00 H +ATOM 1022 CD2 PHE A 65 5.772 10.637 10.625 1.00 41.32 C +ATOM 1023 HD2 PHE A 65 6.332 10.624 11.560 1.00 0.00 H +ATOM 1024 CE1 PHE A 65 4.354 10.684 8.252 1.00 41.32 C +ATOM 1025 HE1 PHE A 65 3.795 10.700 7.316 1.00 0.00 H +ATOM 1026 CE2 PHE A 65 5.558 11.834 9.974 1.00 41.32 C +ATOM 1027 HE2 PHE A 65 5.947 12.761 10.395 1.00 0.00 H +ATOM 1028 CZ PHE A 65 4.847 11.856 8.782 1.00 41.32 C +ATOM 1029 HZ PHE A 65 4.679 12.801 8.265 1.00 0.00 H +ATOM 1030 N LYS A 66 5.093 8.751 13.841 1.00 33.59 N +ATOM 1031 H LYS A 66 5.812 8.000 13.846 1.00 0.00 H +ATOM 1032 CA LYS A 66 5.094 9.728 14.930 1.00 33.59 C +ATOM 1033 HA LYS A 66 4.227 10.388 14.897 1.00 0.00 H +ATOM 1034 C LYS A 66 6.412 10.474 14.749 1.00 33.59 C +ATOM 1035 O LYS A 66 7.482 9.855 14.697 1.00 33.59 O +ATOM 1036 CB LYS A 66 5.027 9.048 16.298 1.00102.81 C +ATOM 1037 HB1 LYS A 66 4.149 8.402 16.322 1.00 0.00 H +ATOM 1038 HB2 LYS A 66 5.925 8.444 16.429 1.00 0.00 H +ATOM 1039 CG LYS A 66 4.934 10.033 17.453 1.00102.81 C +ATOM 1040 HG1 LYS A 66 5.931 10.417 17.670 1.00 0.00 H +ATOM 1041 HG2 LYS A 66 4.284 10.858 17.162 1.00 0.00 H +ATOM 1042 CD LYS A 66 4.372 9.382 18.709 1.00102.81 C +ATOM 1043 HD1 LYS A 66 3.356 9.042 18.510 1.00 0.00 H +ATOM 1044 HD2 LYS A 66 4.994 8.528 18.976 1.00 0.00 H +ATOM 1045 CE LYS A 66 4.350 10.365 19.871 1.00102.81 C +ATOM 1046 HE1 LYS A 66 3.813 9.914 20.706 1.00 0.00 H +ATOM 1047 HE2 LYS A 66 3.834 11.272 19.557 1.00 0.00 H +ATOM 1048 NZ LYS A 66 5.729 10.722 20.318 1.00102.81 N +ATOM 1049 HZ1 LYS A 66 6.226 9.862 20.625 1.00 0.00 H +ATOM 1050 HZ2 LYS A 66 6.246 11.159 19.528 1.00 0.00 H +ATOM 1051 HZ3 LYS A 66 5.672 11.393 21.111 1.00 0.00 H +ATOM 1052 N VAL A 67 6.325 11.791 14.578 1.00 36.04 N +ATOM 1053 H VAL A 67 5.392 12.249 14.619 1.00 0.00 H +ATOM 1054 CA VAL A 67 7.509 12.605 14.335 1.00 36.04 C +ATOM 1055 HA VAL A 67 7.909 12.301 13.368 1.00 0.00 H +ATOM 1056 C VAL A 67 8.544 12.362 15.402 1.00 36.04 C +ATOM 1057 O VAL A 67 8.249 12.444 16.594 1.00 36.04 O +ATOM 1058 CB VAL A 67 7.182 14.115 14.240 1.00 27.66 C +ATOM 1059 HB VAL A 67 6.753 14.443 15.187 1.00 0.00 H +ATOM 1060 CG1 VAL A 67 8.464 14.909 13.967 1.00 27.66 C +ATOM 1061 1HG1 VAL A 67 9.172 14.744 14.779 1.00 0.00 H +ATOM 1062 2HG1 VAL A 67 8.903 14.575 13.027 1.00 0.00 H +ATOM 1063 3HG1 VAL A 67 8.225 15.971 13.902 1.00 0.00 H +ATOM 1064 CG2 VAL A 67 6.163 14.368 13.126 1.00 27.66 C +ATOM 1065 1HG2 VAL A 67 6.576 14.032 12.175 1.00 0.00 H +ATOM 1066 2HG2 VAL A 67 5.247 13.817 13.341 1.00 0.00 H +ATOM 1067 3HG2 VAL A 67 5.943 15.434 13.072 1.00 0.00 H +ATOM 1068 N GLY A 68 9.742 12.006 14.961 1.00 38.72 N +ATOM 1069 H GLY A 68 9.910 11.921 13.938 1.00 0.00 H +ATOM 1070 CA GLY A 68 10.821 11.734 15.892 1.00 38.72 C +ATOM 1071 HA1 GLY A 68 11.718 12.251 15.552 1.00 0.00 H +ATOM 1072 HA2 GLY A 68 10.539 12.108 16.876 1.00 0.00 H +ATOM 1073 C GLY A 68 11.121 10.250 15.999 1.00 38.72 C +ATOM 1074 O GLY A 68 12.257 9.858 16.261 1.00 38.72 O +ATOM 1075 N GLU A 69 10.093 9.427 15.816 1.00 34.23 N +ATOM 1076 H GLU A 69 9.152 9.827 15.625 1.00 0.00 H +ATOM 1077 CA GLU A 69 10.249 7.983 15.876 1.00 34.23 C +ATOM 1078 HA GLU A 69 11.189 7.756 16.380 1.00 0.00 H +ATOM 1079 C GLU A 69 10.290 7.412 14.465 1.00 34.23 C +ATOM 1080 O GLU A 69 9.302 7.493 13.713 1.00 34.23 O +ATOM 1081 CB GLU A 69 9.118 7.335 16.691 1.00109.07 C +ATOM 1082 HB1 GLU A 69 8.165 7.640 16.259 1.00 0.00 H +ATOM 1083 HB2 GLU A 69 9.219 6.252 16.617 1.00 0.00 H +ATOM 1084 CG GLU A 69 9.120 7.721 18.179 1.00109.07 C +ATOM 1085 HG1 GLU A 69 10.118 7.540 18.578 1.00 0.00 H +ATOM 1086 HG2 GLU A 69 8.886 8.783 18.257 1.00 0.00 H +ATOM 1087 CD GLU A 69 8.114 6.944 19.031 1.00109.07 C +ATOM 1088 OE1 GLU A 69 7.371 6.097 18.489 1.00109.07 O +ATOM 1089 OE2 GLU A 69 8.072 7.181 20.259 1.00109.07 O +ATOM 1090 N GLY A 70 11.457 6.868 14.115 1.00 31.10 N +ATOM 1091 H GLY A 70 12.239 6.880 14.801 1.00 0.00 H +ATOM 1092 CA GLY A 70 11.681 6.259 12.814 1.00 31.10 C +ATOM 1093 HA1 GLY A 70 11.668 7.044 12.058 1.00 0.00 H +ATOM 1094 HA2 GLY A 70 12.659 5.778 12.821 1.00 0.00 H +ATOM 1095 C GLY A 70 10.636 5.220 12.448 1.00 31.10 C +ATOM 1096 O GLY A 70 9.914 4.722 13.311 1.00 31.10 O +ATOM 1097 N PHE A 71 10.548 4.911 11.157 1.00 29.88 N +ATOM 1098 H PHE A 71 11.193 5.376 10.487 1.00 0.00 H +ATOM 1099 CA PHE A 71 9.585 3.948 10.644 1.00 29.88 C +ATOM 1100 HA PHE A 71 9.494 3.152 11.383 1.00 0.00 H +ATOM 1101 C PHE A 71 10.064 3.327 9.345 1.00 29.88 C +ATOM 1102 O PHE A 71 11.116 3.691 8.818 1.00 29.88 O +ATOM 1103 CB PHE A 71 8.198 4.591 10.461 1.00 41.51 C +ATOM 1104 HB1 PHE A 71 7.504 3.813 10.142 1.00 0.00 H +ATOM 1105 HB2 PHE A 71 7.879 4.987 11.425 1.00 0.00 H +ATOM 1106 CG PHE A 71 8.139 5.725 9.440 1.00 41.51 C +ATOM 1107 CD1 PHE A 71 8.758 6.941 9.675 1.00 41.51 C +ATOM 1108 HD1 PHE A 71 9.379 7.067 10.562 1.00 0.00 H +ATOM 1109 CD2 PHE A 71 7.366 5.601 8.294 1.00 41.51 C +ATOM 1110 HD2 PHE A 71 6.875 4.652 8.081 1.00 0.00 H +ATOM 1111 CE1 PHE A 71 8.597 8.002 8.793 1.00 41.51 C +ATOM 1112 HE1 PHE A 71 9.088 8.955 8.992 1.00 0.00 H +ATOM 1113 CE2 PHE A 71 7.207 6.657 7.419 1.00 41.51 C +ATOM 1114 HE2 PHE A 71 6.592 6.536 6.527 1.00 0.00 H +ATOM 1115 CZ PHE A 71 7.818 7.852 7.668 1.00 41.51 C +ATOM 1116 HZ PHE A 71 7.689 8.686 6.978 1.00 0.00 H +ATOM 1117 N GLU A 72 9.344 2.317 8.880 1.00 53.79 N +ATOM 1118 H GLU A 72 8.511 1.991 9.410 1.00 0.00 H +ATOM 1119 CA GLU A 72 9.706 1.661 7.639 1.00 53.79 C +ATOM 1120 HA GLU A 72 10.681 2.015 7.304 1.00 0.00 H +ATOM 1121 C GLU A 72 8.648 1.996 6.612 1.00 53.79 C +ATOM 1122 O GLU A 72 7.450 1.811 6.838 1.00 53.79 O +ATOM 1123 CB GLU A 72 9.832 0.146 7.825 1.00129.48 C +ATOM 1124 HB1 GLU A 72 8.923 -0.218 8.305 1.00 0.00 H +ATOM 1125 HB2 GLU A 72 9.931 -0.313 6.842 1.00 0.00 H +ATOM 1126 CG GLU A 72 11.027 -0.277 8.676 1.00129.48 C +ATOM 1127 HG1 GLU A 72 11.931 0.151 8.243 1.00 0.00 H +ATOM 1128 HG2 GLU A 72 10.890 0.111 9.685 1.00 0.00 H +ATOM 1129 CD GLU A 72 11.193 -1.785 8.754 1.00129.48 C +ATOM 1130 OE1 GLU A 72 10.506 -2.417 9.582 1.00129.48 O +ATOM 1131 OE2 GLU A 72 12.012 -2.340 7.991 1.00129.48 O +ATOM 1132 N GLU A 73 9.104 2.546 5.502 1.00 57.92 N +ATOM 1133 H GLU A 73 10.127 2.702 5.402 1.00 0.00 H +ATOM 1134 CA GLU A 73 8.227 2.940 4.419 1.00 57.92 C +ATOM 1135 HA GLU A 73 7.285 2.393 4.441 1.00 0.00 H +ATOM 1136 C GLU A 73 8.993 2.667 3.128 1.00 57.92 C +ATOM 1137 O GLU A 73 10.068 2.056 3.162 1.00 57.92 O +ATOM 1138 CB GLU A 73 7.916 4.432 4.537 1.00 27.57 C +ATOM 1139 HB1 GLU A 73 7.237 4.712 3.731 1.00 0.00 H +ATOM 1140 HB2 GLU A 73 7.433 4.613 5.497 1.00 0.00 H +ATOM 1141 CG GLU A 73 9.172 5.305 4.447 1.00 27.57 C +ATOM 1142 HG1 GLU A 73 9.717 5.223 5.387 1.00 0.00 H +ATOM 1143 HG2 GLU A 73 9.795 4.931 3.634 1.00 0.00 H +ATOM 1144 CD GLU A 73 8.876 6.767 4.190 1.00 27.57 C +ATOM 1145 OE1 GLU A 73 7.718 7.119 3.864 1.00 27.57 O +ATOM 1146 OE2 GLU A 73 9.822 7.568 4.307 1.00 27.57 O +ATOM 1147 N GLU A 74 8.458 3.129 1.997 1.00 39.25 N +ATOM 1148 H GLU A 74 7.555 3.644 2.034 1.00 0.00 H +ATOM 1149 CA GLU A 74 9.112 2.927 0.709 1.00 39.25 C +ATOM 1150 HA GLU A 74 10.014 2.356 0.930 1.00 0.00 H +ATOM 1151 C GLU A 74 9.563 4.202 0.022 1.00 39.25 C +ATOM 1152 O GLU A 74 8.857 5.214 0.053 1.00 39.25 O +ATOM 1153 CB GLU A 74 8.183 2.173 -0.229 1.00 61.21 C +ATOM 1154 HB1 GLU A 74 7.255 2.736 -0.329 1.00 0.00 H +ATOM 1155 HB2 GLU A 74 8.663 2.091 -1.204 1.00 0.00 H +ATOM 1156 CG GLU A 74 7.860 0.806 0.260 1.00 61.21 C +ATOM 1157 HG1 GLU A 74 8.778 0.326 0.599 1.00 0.00 H +ATOM 1158 HG2 GLU A 74 7.163 0.885 1.094 1.00 0.00 H +ATOM 1159 CD GLU A 74 7.245 -0.028 -0.805 1.00 61.21 C +ATOM 1160 OE1 GLU A 74 6.009 0.013 -0.933 1.00 61.21 O +ATOM 1161 OE2 GLU A 74 8.000 -0.714 -1.520 1.00 61.21 O +ATOM 1162 N THR A 75 10.741 4.150 -0.594 1.00 38.60 N +ATOM 1163 H THR A 75 11.312 3.282 -0.543 1.00 0.00 H +ATOM 1164 CA THR A 75 11.237 5.299 -1.340 1.00 38.60 C +ATOM 1165 HA THR A 75 11.268 6.196 -0.721 1.00 0.00 H +ATOM 1166 C THR A 75 10.271 5.425 -2.535 1.00 38.60 C +ATOM 1167 O THR A 75 9.673 4.416 -2.933 1.00 38.60 O +ATOM 1168 CB THR A 75 12.687 5.087 -1.834 1.00 38.11 C +ATOM 1169 HB THR A 75 12.983 5.970 -2.401 1.00 0.00 H +ATOM 1170 OG1 THR A 75 12.748 3.921 -2.651 1.00 38.11 O +ATOM 1171 HG1 THR A 75 12.148 4.034 -3.430 1.00 0.00 H +ATOM 1172 CG2 THR A 75 13.633 4.900 -0.667 1.00 38.11 C +ATOM 1173 1HG2 THR A 75 13.331 4.024 -0.093 1.00 0.00 H +ATOM 1174 2HG2 THR A 75 14.647 4.758 -1.042 1.00 0.00 H +ATOM 1175 3HG2 THR A 75 13.600 5.783 -0.029 1.00 0.00 H +ATOM 1176 N VAL A 76 10.125 6.637 -3.094 1.00 27.71 N +ATOM 1177 H VAL A 76 10.697 7.419 -2.716 1.00 0.00 H +ATOM 1178 CA VAL A 76 9.202 6.934 -4.214 1.00 27.71 C +ATOM 1179 HA VAL A 76 8.231 6.949 -3.718 1.00 0.00 H +ATOM 1180 C VAL A 76 9.114 5.888 -5.309 1.00 27.71 C +ATOM 1181 O VAL A 76 8.025 5.578 -5.795 1.00 27.71 O +ATOM 1182 CB VAL A 76 9.524 8.279 -4.873 1.00 28.72 C +ATOM 1183 HB VAL A 76 10.562 8.261 -5.206 1.00 0.00 H +ATOM 1184 CG1 VAL A 76 8.628 8.516 -6.070 1.00 28.72 C +ATOM 1185 1HG1 VAL A 76 8.780 7.720 -6.799 1.00 0.00 H +ATOM 1186 2HG1 VAL A 76 7.587 8.521 -5.748 1.00 0.00 H +ATOM 1187 3HG1 VAL A 76 8.874 9.477 -6.522 1.00 0.00 H +ATOM 1188 CG2 VAL A 76 9.321 9.376 -3.889 1.00 28.72 C +ATOM 1189 1HG2 VAL A 76 8.284 9.374 -3.554 1.00 0.00 H +ATOM 1190 2HG2 VAL A 76 9.980 9.223 -3.035 1.00 0.00 H +ATOM 1191 3HG2 VAL A 76 9.551 10.332 -4.360 1.00 0.00 H +ATOM 1192 N ASP A 77 10.268 5.349 -5.685 1.00 30.12 N +ATOM 1193 H ASP A 77 11.150 5.665 -5.235 1.00 0.00 H +ATOM 1194 CA ASP A 77 10.319 4.330 -6.710 1.00 30.12 C +ATOM 1195 HA ASP A 77 9.489 4.518 -7.391 1.00 0.00 H +ATOM 1196 C ASP A 77 10.133 2.937 -6.146 1.00 30.12 C +ATOM 1197 O ASP A 77 10.698 1.981 -6.668 1.00 30.12 O +ATOM 1198 CB ASP A 77 11.628 4.415 -7.475 1.00 39.15 C +ATOM 1199 HB1 ASP A 77 11.599 3.701 -8.298 1.00 0.00 H +ATOM 1200 HB2 ASP A 77 11.736 5.424 -7.874 1.00 0.00 H +ATOM 1201 CG ASP A 77 12.810 4.110 -6.617 1.00 39.15 C +ATOM 1202 OD1 ASP A 77 12.875 4.642 -5.496 1.00 39.15 O +ATOM 1203 OD2 ASP A 77 13.675 3.335 -7.071 1.00 39.15 O +ATOM 1204 N GLY A 78 9.366 2.832 -5.064 1.00 31.98 N +ATOM 1205 H GLY A 78 8.963 3.696 -4.649 1.00 0.00 H +ATOM 1206 CA GLY A 78 9.072 1.552 -4.441 1.00 31.98 C +ATOM 1207 HA1 GLY A 78 8.320 1.757 -3.679 1.00 0.00 H +ATOM 1208 HA2 GLY A 78 8.634 0.933 -5.224 1.00 0.00 H +ATOM 1209 C GLY A 78 10.126 0.686 -3.765 1.00 31.98 C +ATOM 1210 O GLY A 78 9.940 -0.527 -3.695 1.00 31.98 O +ATOM 1211 N ARG A 79 11.230 1.261 -3.296 1.00 42.44 N +ATOM 1212 H ARG A 79 11.379 2.283 -3.420 1.00 0.00 H +ATOM 1213 CA ARG A 79 12.235 0.449 -2.604 1.00 42.44 C +ATOM 1214 HA ARG A 79 12.297 -0.532 -3.076 1.00 0.00 H +ATOM 1215 C ARG A 79 11.805 0.373 -1.147 1.00 42.44 C +ATOM 1216 O ARG A 79 10.747 0.896 -0.783 1.00 42.44 O +ATOM 1217 CB ARG A 79 13.623 1.077 -2.673 1.00 84.04 C +ATOM 1218 HB1 ARG A 79 13.566 2.073 -2.234 1.00 0.00 H +ATOM 1219 HB2 ARG A 79 14.303 0.461 -2.085 1.00 0.00 H +ATOM 1220 CG ARG A 79 14.191 1.209 -4.056 1.00 84.04 C +ATOM 1221 HG1 ARG A 79 14.438 0.221 -4.446 1.00 0.00 H +ATOM 1222 HG2 ARG A 79 13.458 1.683 -4.709 1.00 0.00 H +ATOM 1223 CD ARG A 79 15.441 2.058 -3.996 1.00 84.04 C +ATOM 1224 HD1 ARG A 79 16.265 1.438 -3.643 1.00 0.00 H +ATOM 1225 HD2 ARG A 79 15.274 2.874 -3.292 1.00 0.00 H +ATOM 1226 NE ARG A 79 15.807 2.627 -5.290 1.00 84.04 N +ATOM 1227 HE ARG A 79 15.685 2.032 -6.134 1.00 0.00 H +ATOM 1228 CZ ARG A 79 16.287 3.859 -5.462 1.00 84.04 C +ATOM 1229 NH1 ARG A 79 16.464 4.670 -4.421 1.00 84.04 N +ATOM 1230 1HH1 ARG A 79 16.227 4.344 -3.462 1.00 0.00 H +ATOM 1231 2HH1 ARG A 79 16.839 5.629 -4.567 1.00 0.00 H +ATOM 1232 NH2 ARG A 79 16.589 4.280 -6.684 1.00 84.04 N +ATOM 1233 1HH2 ARG A 79 16.451 3.650 -7.500 1.00 0.00 H +ATOM 1234 2HH2 ARG A 79 16.964 5.240 -6.826 1.00 0.00 H +ATOM 1235 N LYS A 80 12.606 -0.299 -0.322 1.00 56.41 N +ATOM 1236 H LYS A 80 13.465 -0.746 -0.702 1.00 0.00 H +ATOM 1237 CA LYS A 80 12.309 -0.425 1.105 1.00 56.41 C +ATOM 1238 HA LYS A 80 11.318 -0.015 1.299 1.00 0.00 H +ATOM 1239 C LYS A 80 13.358 0.344 1.888 1.00 56.41 C +ATOM 1240 O LYS A 80 14.554 0.222 1.626 1.00 56.41 O +ATOM 1241 CB LYS A 80 12.293 -1.892 1.544 1.00147.23 C +ATOM 1242 HB1 LYS A 80 12.989 -2.442 0.911 1.00 0.00 H +ATOM 1243 HB2 LYS A 80 12.631 -1.939 2.579 1.00 0.00 H +ATOM 1244 CG LYS A 80 10.927 -2.578 1.458 1.00147.23 C +ATOM 1245 HG1 LYS A 80 11.006 -3.565 1.913 1.00 0.00 H +ATOM 1246 HG2 LYS A 80 10.204 -1.980 2.013 1.00 0.00 H +ATOM 1247 CD LYS A 80 10.423 -2.743 0.024 1.00147.23 C +ATOM 1248 HD1 LYS A 80 9.453 -3.240 0.046 1.00 0.00 H +ATOM 1249 HD2 LYS A 80 10.315 -1.757 -0.428 1.00 0.00 H +ATOM 1250 CE LYS A 80 11.381 -3.570 -0.822 1.00147.23 C +ATOM 1251 HE1 LYS A 80 11.547 -4.528 -0.329 1.00 0.00 H +ATOM 1252 HE2 LYS A 80 12.328 -3.036 -0.903 1.00 0.00 H +ATOM 1253 NZ LYS A 80 10.856 -3.822 -2.191 1.00147.23 N +ATOM 1254 HZ1 LYS A 80 9.956 -4.339 -2.126 1.00 0.00 H +ATOM 1255 HZ2 LYS A 80 10.702 -2.914 -2.674 1.00 0.00 H +ATOM 1256 HZ3 LYS A 80 11.545 -4.388 -2.726 1.00 0.00 H +ATOM 1257 N CYS A 81 12.907 1.148 2.841 1.00 50.67 N +ATOM 1258 H CYS A 81 11.884 1.210 3.016 1.00 0.00 H +ATOM 1259 CA CYS A 81 13.818 1.945 3.646 1.00 50.67 C +ATOM 1260 HA CYS A 81 14.741 1.377 3.758 1.00 0.00 H +ATOM 1261 C CYS A 81 13.258 2.223 5.038 1.00 50.67 C +ATOM 1262 O CYS A 81 12.082 1.960 5.315 1.00 50.67 O +ATOM 1263 CB CYS A 81 14.080 3.276 2.947 1.00 29.66 C +ATOM 1264 HB1 CYS A 81 14.370 3.075 1.916 1.00 0.00 H +ATOM 1265 HB2 CYS A 81 14.897 3.782 3.461 1.00 0.00 H +ATOM 1266 SG CYS A 81 12.642 4.371 2.936 1.00 29.66 S +ATOM 1267 HG CYS A 81 11.599 3.752 2.277 1.00 0.00 H +ATOM 1268 N ARG A 82 14.127 2.689 5.930 1.00 46.87 N +ATOM 1269 H ARG A 82 15.127 2.792 5.662 1.00 0.00 H +ATOM 1270 CA ARG A 82 13.707 3.056 7.270 1.00 46.87 C +ATOM 1271 HA ARG A 82 12.667 2.793 7.465 1.00 0.00 H +ATOM 1272 C ARG A 82 13.992 4.542 7.314 1.00 46.87 C +ATOM 1273 O ARG A 82 15.120 4.969 7.065 1.00 46.87 O +ATOM 1274 CB ARG A 82 14.506 2.332 8.346 1.00137.45 C +ATOM 1275 HB1 ARG A 82 14.428 1.257 8.181 1.00 0.00 H +ATOM 1276 HB2 ARG A 82 15.551 2.635 8.274 1.00 0.00 H +ATOM 1277 CG ARG A 82 13.997 2.653 9.737 1.00137.45 C +ATOM 1278 HG1 ARG A 82 14.015 3.734 9.876 1.00 0.00 H +ATOM 1279 HG2 ARG A 82 12.972 2.294 9.827 1.00 0.00 H +ATOM 1280 CD ARG A 82 14.831 2.012 10.816 1.00137.45 C +ATOM 1281 HD1 ARG A 82 15.878 2.272 10.657 1.00 0.00 H +ATOM 1282 HD2 ARG A 82 14.714 0.930 10.760 1.00 0.00 H +ATOM 1283 NE ARG A 82 14.424 2.466 12.143 1.00137.45 N +ATOM 1284 HE ARG A 82 13.969 1.775 12.773 1.00 0.00 H +ATOM 1285 CZ ARG A 82 14.596 3.703 12.601 1.00137.45 C +ATOM 1286 NH1 ARG A 82 15.166 4.632 11.841 1.00137.45 N +ATOM 1287 1HH1 ARG A 82 15.482 4.395 10.879 1.00 0.00 H +ATOM 1288 2HH1 ARG A 82 15.296 5.596 12.208 1.00 0.00 H +ATOM 1289 NH2 ARG A 82 14.221 4.007 13.836 1.00137.45 N +ATOM 1290 1HH2 ARG A 82 13.794 3.279 14.444 1.00 0.00 H +ATOM 1291 2HH2 ARG A 82 14.354 4.973 14.197 1.00 0.00 H +ATOM 1292 N SER A 83 12.965 5.330 7.596 1.00 41.81 N +ATOM 1293 H SER A 83 12.039 4.905 7.806 1.00 0.00 H +ATOM 1294 CA SER A 83 13.106 6.773 7.617 1.00 41.81 C +ATOM 1295 HA SER A 83 14.142 6.999 7.363 1.00 0.00 H +ATOM 1296 C SER A 83 12.880 7.397 8.986 1.00 41.81 C +ATOM 1297 O SER A 83 12.086 6.889 9.767 1.00 41.81 O +ATOM 1298 CB SER A 83 12.148 7.375 6.592 1.00 60.25 C +ATOM 1299 HB1 SER A 83 12.536 7.196 5.589 1.00 0.00 H +ATOM 1300 HB2 SER A 83 12.068 8.449 6.763 1.00 0.00 H +ATOM 1301 OG SER A 83 10.867 6.790 6.706 1.00 60.25 O +ATOM 1302 HG SER A 83 10.261 7.192 6.035 1.00 0.00 H +ATOM 1303 N LEU A 84 13.544 8.525 9.251 1.00 50.09 N +ATOM 1304 H LEU A 84 14.162 8.924 8.516 1.00 0.00 H +ATOM 1305 CA LEU A 84 13.437 9.223 10.534 1.00 50.09 C +ATOM 1306 HA LEU A 84 12.694 8.694 11.131 1.00 0.00 H +ATOM 1307 C LEU A 84 12.944 10.668 10.376 1.00 50.09 C +ATOM 1308 O LEU A 84 13.722 11.577 10.067 1.00 50.09 O +ATOM 1309 CB LEU A 84 14.793 9.204 11.252 1.00 32.91 C +ATOM 1310 HB1 LEU A 84 15.044 8.162 11.448 1.00 0.00 H +ATOM 1311 HB2 LEU A 84 15.529 9.632 10.571 1.00 0.00 H +ATOM 1312 CG LEU A 84 14.902 9.960 12.580 1.00 32.91 C +ATOM 1313 HG LEU A 84 14.494 10.963 12.453 1.00 0.00 H +ATOM 1314 CD1 LEU A 84 14.103 9.261 13.662 1.00 32.91 C +ATOM 1315 1HD1 LEU A 84 13.055 9.216 13.366 1.00 0.00 H +ATOM 1316 2HD1 LEU A 84 14.486 8.250 13.799 1.00 0.00 H +ATOM 1317 3HD1 LEU A 84 14.195 9.816 14.596 1.00 0.00 H +ATOM 1318 CD2 LEU A 84 16.343 10.053 12.979 1.00 32.91 C +ATOM 1319 1HD2 LEU A 84 16.752 9.049 13.095 1.00 0.00 H +ATOM 1320 2HD2 LEU A 84 16.899 10.586 12.208 1.00 0.00 H +ATOM 1321 3HD2 LEU A 84 16.423 10.591 13.924 1.00 0.00 H +ATOM 1322 N PRO A 85 11.644 10.896 10.620 1.00 34.48 N +ATOM 1323 CA PRO A 85 11.004 12.214 10.515 1.00 34.48 C +ATOM 1324 HA PRO A 85 11.332 12.789 9.649 1.00 0.00 H +ATOM 1325 C PRO A 85 11.338 13.085 11.715 1.00 34.48 C +ATOM 1326 O PRO A 85 11.302 12.620 12.850 1.00 34.48 O +ATOM 1327 CB PRO A 85 9.528 11.862 10.480 1.00 25.61 C +ATOM 1328 HB1 PRO A 85 8.919 12.682 10.859 1.00 0.00 H +ATOM 1329 HB2 PRO A 85 9.207 11.610 9.469 1.00 0.00 H +ATOM 1330 CG PRO A 85 9.454 10.662 11.390 1.00 25.61 C +ATOM 1331 HG1 PRO A 85 9.483 10.966 12.436 1.00 0.00 H +ATOM 1332 HG2 PRO A 85 8.545 10.089 11.205 1.00 0.00 H +ATOM 1333 CD PRO A 85 10.675 9.861 11.030 1.00 25.61 C +ATOM 1334 HD1 PRO A 85 10.465 9.174 10.210 1.00 0.00 H +ATOM 1335 HD2 PRO A 85 11.042 9.299 11.889 1.00 0.00 H +ATOM 1336 N THR A 86 11.648 14.354 11.461 1.00 33.06 N +ATOM 1337 H THR A 86 11.632 14.691 10.477 1.00 0.00 H +ATOM 1338 CA THR A 86 12.010 15.286 12.522 1.00 33.06 C +ATOM 1339 HA THR A 86 11.608 14.896 13.457 1.00 0.00 H +ATOM 1340 C THR A 86 11.442 16.665 12.211 1.00 33.06 C +ATOM 1341 O THR A 86 11.388 17.049 11.054 1.00 33.06 O +ATOM 1342 CB THR A 86 13.555 15.434 12.627 1.00 53.02 C +ATOM 1343 HB THR A 86 13.796 15.636 13.670 1.00 0.00 H +ATOM 1344 OG1 THR A 86 14.007 16.512 11.793 1.00 53.02 O +ATOM 1345 HG1 THR A 86 13.579 17.356 12.085 1.00 0.00 H +ATOM 1346 CG2 THR A 86 14.259 14.154 12.181 1.00 53.02 C +ATOM 1347 1HG2 THR A 86 14.013 13.950 11.139 1.00 0.00 H +ATOM 1348 2HG2 THR A 86 15.337 14.279 12.283 1.00 0.00 H +ATOM 1349 3HG2 THR A 86 13.928 13.323 12.804 1.00 0.00 H +ATOM 1350 N TRP A 87 11.000 17.406 13.224 1.00 37.17 N +ATOM 1351 H TRP A 87 11.012 17.026 14.192 1.00 0.00 H +ATOM 1352 CA TRP A 87 10.499 18.751 12.975 1.00 37.17 C +ATOM 1353 HA TRP A 87 9.772 18.742 12.163 1.00 0.00 H +ATOM 1354 C TRP A 87 11.731 19.587 12.673 1.00 37.17 C +ATOM 1355 O TRP A 87 12.662 19.619 13.473 1.00 37.17 O +ATOM 1356 CB TRP A 87 9.787 19.336 14.198 1.00 44.10 C +ATOM 1357 HB1 TRP A 87 10.445 19.229 15.060 1.00 0.00 H +ATOM 1358 HB2 TRP A 87 9.603 20.394 14.012 1.00 0.00 H +ATOM 1359 CG TRP A 87 8.481 18.683 14.522 1.00 44.10 C +ATOM 1360 CD1 TRP A 87 8.240 17.811 15.535 1.00 44.10 C +ATOM 1361 HD1 TRP A 87 8.983 17.480 16.260 1.00 0.00 H +ATOM 1362 CD2 TRP A 87 7.234 18.836 13.825 1.00 44.10 C +ATOM 1363 NE1 TRP A 87 6.926 17.405 15.517 1.00 44.10 N +ATOM 1364 HE1 TRP A 87 6.489 16.740 16.187 1.00 0.00 H +ATOM 1365 CE2 TRP A 87 6.287 18.017 14.475 1.00 44.10 C +ATOM 1366 CE3 TRP A 87 6.829 19.579 12.713 1.00 44.10 C +ATOM 1367 HE3 TRP A 87 7.534 20.222 12.185 1.00 0.00 H +ATOM 1368 CZ2 TRP A 87 4.969 17.918 14.057 1.00 44.10 C +ATOM 1369 HZ2 TRP A 87 4.255 17.279 14.577 1.00 0.00 H +ATOM 1370 CZ3 TRP A 87 5.516 19.480 12.298 1.00 44.10 C +ATOM 1371 HZ3 TRP A 87 5.183 20.055 11.434 1.00 0.00 H +ATOM 1372 CH2 TRP A 87 4.602 18.653 12.969 1.00 44.10 C +ATOM 1373 HH2 TRP A 87 3.574 18.597 12.612 1.00 0.00 H +ATOM 1374 N GLU A 88 11.800 20.139 11.465 1.00 32.74 N +ATOM 1375 H GLU A 88 11.043 19.958 10.775 1.00 0.00 H +ATOM 1376 CA GLU A 88 12.918 20.992 11.095 1.00 32.74 C +ATOM 1377 HA GLU A 88 13.853 20.615 11.509 1.00 0.00 H +ATOM 1378 C GLU A 88 12.552 22.370 11.616 1.00 32.74 C +ATOM 1379 O GLU A 88 13.416 23.120 12.054 1.00 32.74 O +ATOM 1380 CB GLU A 88 13.098 21.051 9.585 1.00 60.00 C +ATOM 1381 HB1 GLU A 88 13.193 20.033 9.207 1.00 0.00 H +ATOM 1382 HB2 GLU A 88 12.216 21.519 9.148 1.00 0.00 H +ATOM 1383 CG GLU A 88 14.322 21.839 9.161 1.00 60.00 C +ATOM 1384 HG1 GLU A 88 14.398 22.727 9.788 1.00 0.00 H +ATOM 1385 HG2 GLU A 88 15.204 21.216 9.308 1.00 0.00 H +ATOM 1386 CD GLU A 88 14.275 22.277 7.705 1.00 60.00 C +ATOM 1387 OE1 GLU A 88 14.550 21.446 6.808 1.00 60.00 O +ATOM 1388 OE2 GLU A 88 13.967 23.462 7.455 1.00 60.00 O +ATOM 1389 N ASN A 89 11.258 22.682 11.553 1.00 20.75 N +ATOM 1390 H ASN A 89 10.607 21.976 11.153 1.00 0.00 H +ATOM 1391 CA ASN A 89 10.693 23.949 12.008 1.00 20.75 C +ATOM 1392 HA ASN A 89 11.378 24.408 12.721 1.00 0.00 H +ATOM 1393 C ASN A 89 9.328 23.634 12.597 1.00 20.75 C +ATOM 1394 O ASN A 89 8.873 22.487 12.571 1.00 20.75 O +ATOM 1395 CB ASN A 89 10.472 24.918 10.850 1.00 65.09 C +ATOM 1396 HB1 ASN A 89 9.815 24.444 10.121 1.00 0.00 H +ATOM 1397 HB2 ASN A 89 9.994 25.818 11.237 1.00 0.00 H +ATOM 1398 CG ASN A 89 11.749 25.312 10.159 1.00 65.09 C +ATOM 1399 OD1 ASN A 89 12.843 25.136 10.690 1.00 65.09 O +ATOM 1400 ND2 ASN A 89 11.617 25.867 8.961 1.00 65.09 N +ATOM 1401 1HD2 ASN A 89 12.460 26.172 8.434 1.00 0.00 H +ATOM 1402 2HD2 ASN A 89 10.671 25.997 8.549 1.00 0.00 H +ATOM 1403 N GLU A 90 8.637 24.676 13.041 1.00 36.45 N +ATOM 1404 H GLU A 90 9.053 25.625 12.957 1.00 0.00 H +ATOM 1405 CA GLU A 90 7.321 24.540 13.640 1.00 36.45 C +ATOM 1406 HA GLU A 90 7.421 23.922 14.532 1.00 0.00 H +ATOM 1407 C GLU A 90 6.325 23.815 12.729 1.00 36.45 C +ATOM 1408 O GLU A 90 5.546 22.991 13.197 1.00 36.45 O +ATOM 1409 CB GLU A 90 6.798 25.928 14.014 1.00128.02 C +ATOM 1410 HB1 GLU A 90 7.567 26.433 14.599 1.00 0.00 H +ATOM 1411 HB2 GLU A 90 6.622 26.483 13.092 1.00 0.00 H +ATOM 1412 CG GLU A 90 5.516 25.936 14.818 1.00128.02 C +ATOM 1413 HG1 GLU A 90 4.705 25.567 14.189 1.00 0.00 H +ATOM 1414 HG2 GLU A 90 5.637 25.276 15.677 1.00 0.00 H +ATOM 1415 CD GLU A 90 5.156 27.322 15.315 1.00128.02 C +ATOM 1416 OE1 GLU A 90 5.351 28.299 14.558 1.00128.02 O +ATOM 1417 OE2 GLU A 90 4.683 27.436 16.468 1.00128.02 O +ATOM 1418 N ASN A 91 6.386 24.098 11.427 1.00 39.12 N +ATOM 1419 H ASN A 91 7.103 24.773 11.093 1.00 0.00 H +ATOM 1420 CA ASN A 91 5.477 23.489 10.452 1.00 39.12 C +ATOM 1421 HA ASN A 91 4.992 22.671 10.985 1.00 0.00 H +ATOM 1422 C ASN A 91 6.175 22.857 9.254 1.00 39.12 C +ATOM 1423 O ASN A 91 5.722 22.965 8.118 1.00 39.12 O +ATOM 1424 CB ASN A 91 4.419 24.500 9.978 1.00 86.77 C +ATOM 1425 HB1 ASN A 91 4.087 24.212 8.980 1.00 0.00 H +ATOM 1426 HB2 ASN A 91 3.574 24.465 10.665 1.00 0.00 H +ATOM 1427 CG ASN A 91 4.937 25.927 9.922 1.00 86.77 C +ATOM 1428 OD1 ASN A 91 4.339 26.828 10.516 1.00 86.77 O +ATOM 1429 ND2 ASN A 91 6.038 26.144 9.202 1.00 86.77 N +ATOM 1430 1HD2 ASN A 91 6.427 27.105 9.124 1.00 0.00 H +ATOM 1431 2HD2 ASN A 91 6.508 25.352 8.719 1.00 0.00 H +ATOM 1432 N LYS A 92 7.276 22.180 9.522 1.00 41.48 N +ATOM 1433 H LYS A 92 7.612 22.119 10.504 1.00 0.00 H +ATOM 1434 CA LYS A 92 8.023 21.522 8.475 1.00 41.48 C +ATOM 1435 HA LYS A 92 7.327 21.216 7.694 1.00 0.00 H +ATOM 1436 C LYS A 92 8.720 20.286 9.030 1.00 41.48 C +ATOM 1437 O LYS A 92 9.484 20.370 9.997 1.00 41.48 O +ATOM 1438 CB LYS A 92 9.042 22.472 7.858 1.00 17.35 C +ATOM 1439 HB1 LYS A 92 8.510 23.284 7.363 1.00 0.00 H +ATOM 1440 HB2 LYS A 92 9.667 22.880 8.652 1.00 0.00 H +ATOM 1441 CG LYS A 92 9.931 21.783 6.845 1.00 17.35 C +ATOM 1442 HG1 LYS A 92 10.505 21.008 7.353 1.00 0.00 H +ATOM 1443 HG2 LYS A 92 9.302 21.326 6.081 1.00 0.00 H +ATOM 1444 CD LYS A 92 10.882 22.730 6.182 1.00 17.35 C +ATOM 1445 HD1 LYS A 92 10.316 23.493 5.647 1.00 0.00 H +ATOM 1446 HD2 LYS A 92 11.504 23.206 6.940 1.00 0.00 H +ATOM 1447 CE LYS A 92 11.762 21.990 5.210 1.00 17.35 C +ATOM 1448 HE1 LYS A 92 11.157 21.617 4.383 1.00 0.00 H +ATOM 1449 HE2 LYS A 92 12.239 21.151 5.717 1.00 0.00 H +ATOM 1450 NZ LYS A 92 12.807 22.913 4.685 1.00 17.35 N +ATOM 1451 HZ1 LYS A 92 12.350 23.712 4.201 1.00 0.00 H +ATOM 1452 HZ2 LYS A 92 13.383 23.268 5.475 1.00 0.00 H +ATOM 1453 HZ3 LYS A 92 13.414 22.401 4.014 1.00 0.00 H +ATOM 1454 N ILE A 93 8.439 19.148 8.400 1.00 38.24 N +ATOM 1455 H ILE A 93 7.788 19.185 7.590 1.00 0.00 H +ATOM 1456 CA ILE A 93 8.989 17.855 8.777 1.00 38.24 C +ATOM 1457 HA ILE A 93 9.386 17.926 9.790 1.00 0.00 H +ATOM 1458 C ILE A 93 10.067 17.474 7.774 1.00 38.24 C +ATOM 1459 O ILE A 93 9.868 17.604 6.578 1.00 38.24 O +ATOM 1460 CB ILE A 93 7.890 16.759 8.710 1.00 31.56 C +ATOM 1461 HB ILE A 93 7.657 16.577 7.661 1.00 0.00 H +ATOM 1462 CG1 ILE A 93 6.621 17.229 9.418 1.00 31.56 C +ATOM 1463 1HG1 ILE A 93 6.837 17.327 10.482 1.00 0.00 H +ATOM 1464 2HG1 ILE A 93 6.343 18.203 9.014 1.00 0.00 H +ATOM 1465 CG2 ILE A 93 8.385 15.459 9.324 1.00 31.56 C +ATOM 1466 1HG2 ILE A 93 9.262 15.112 8.778 1.00 0.00 H +ATOM 1467 2HG2 ILE A 93 8.649 15.629 10.368 1.00 0.00 H +ATOM 1468 3HG2 ILE A 93 7.597 14.708 9.265 1.00 0.00 H +ATOM 1469 CD1 ILE A 93 5.451 16.297 9.256 1.00 31.56 C +ATOM 1470 1HD1 ILE A 93 5.212 16.197 8.197 1.00 0.00 H +ATOM 1471 2HD1 ILE A 93 5.707 15.320 9.666 1.00 0.00 H +ATOM 1472 3HD1 ILE A 93 4.590 16.701 9.788 1.00 0.00 H +ATOM 1473 N HIS A 94 11.226 17.061 8.258 1.00 37.72 N +ATOM 1474 H HIS A 94 11.378 17.051 9.287 1.00 0.00 H +ATOM 1475 CA HIS A 94 12.284 16.623 7.376 1.00 37.72 C +ATOM 1476 HA HIS A 94 12.061 16.845 6.332 1.00 0.00 H +ATOM 1477 C HIS A 94 12.415 15.139 7.653 1.00 37.72 C +ATOM 1478 O HIS A 94 12.581 14.739 8.803 1.00 37.72 O +ATOM 1479 CB HIS A 94 13.590 17.324 7.702 1.00 37.16 C +ATOM 1480 HB1 HIS A 94 13.458 18.394 7.541 1.00 0.00 H +ATOM 1481 HB2 HIS A 94 13.828 17.143 8.750 1.00 0.00 H +ATOM 1482 CG HIS A 94 14.738 16.856 6.867 1.00 37.16 C +ATOM 1483 ND1 HIS A 94 15.242 17.594 5.816 1.00 37.16 N +ATOM 1484 CD2 HIS A 94 15.459 15.708 6.901 1.00 37.16 C +ATOM 1485 HD2 HIS A 94 15.337 14.888 7.608 1.00 0.00 H +ATOM 1486 CE1 HIS A 94 16.222 16.921 5.237 1.00 37.16 C +ATOM 1487 HE1 HIS A 94 16.806 17.255 4.380 1.00 0.00 H +ATOM 1488 NE2 HIS A 94 16.372 15.773 5.876 1.00 37.16 N +ATOM 1489 N CYS A 95 12.375 14.321 6.608 1.00 28.02 N +ATOM 1490 H CYS A 95 12.284 14.716 5.650 1.00 0.00 H +ATOM 1491 CA CYS A 95 12.457 12.879 6.785 1.00 28.02 C +ATOM 1492 HA CYS A 95 12.657 12.688 7.839 1.00 0.00 H +ATOM 1493 C CYS A 95 13.593 12.270 5.998 1.00 28.02 C +ATOM 1494 O CYS A 95 13.585 12.287 4.772 1.00 28.02 O +ATOM 1495 CB CYS A 95 11.137 12.234 6.386 1.00 33.29 C +ATOM 1496 HB1 CYS A 95 10.975 12.430 5.326 1.00 0.00 H +ATOM 1497 HB2 CYS A 95 10.344 12.706 6.967 1.00 0.00 H +ATOM 1498 SG CYS A 95 11.028 10.453 6.643 1.00 33.29 S +ATOM 1499 HG CYS A 95 9.786 10.007 6.240 1.00 0.00 H +ATOM 1500 N THR A 96 14.584 11.766 6.724 1.00 40.85 N +ATOM 1501 H THR A 96 14.515 11.822 7.760 1.00 0.00 H +ATOM 1502 CA THR A 96 15.760 11.140 6.145 1.00 40.85 C +ATOM 1503 HA THR A 96 16.047 11.682 5.244 1.00 0.00 H +ATOM 1504 C THR A 96 15.433 9.700 5.847 1.00 40.85 C +ATOM 1505 O THR A 96 14.808 9.043 6.661 1.00 40.85 O +ATOM 1506 CB THR A 96 16.899 11.152 7.142 1.00 59.09 C +ATOM 1507 HB THR A 96 16.548 10.730 8.084 1.00 0.00 H +ATOM 1508 OG1 THR A 96 17.330 12.499 7.338 1.00 59.09 O +ATOM 1509 HG1 THR A 96 18.075 12.514 7.989 1.00 0.00 H +ATOM 1510 CG2 THR A 96 18.057 10.308 6.653 1.00 59.09 C +ATOM 1511 1HG2 THR A 96 18.425 10.710 5.709 1.00 0.00 H +ATOM 1512 2HG2 THR A 96 18.857 10.327 7.393 1.00 0.00 H +ATOM 1513 3HG2 THR A 96 17.720 9.282 6.506 1.00 0.00 H +ATOM 1514 N GLN A 97 15.884 9.191 4.708 1.00 40.11 N +ATOM 1515 H GLN A 97 16.442 9.784 4.061 1.00 0.00 H +ATOM 1516 CA GLN A 97 15.602 7.809 4.361 1.00 40.11 C +ATOM 1517 HA GLN A 97 15.119 7.381 5.240 1.00 0.00 H +ATOM 1518 C GLN A 97 16.853 7.002 4.043 1.00 40.11 C +ATOM 1519 O GLN A 97 17.755 7.494 3.360 1.00 40.11 O +ATOM 1520 CB GLN A 97 14.704 7.743 3.132 1.00 39.23 C +ATOM 1521 HB1 GLN A 97 15.247 8.196 2.303 1.00 0.00 H +ATOM 1522 HB2 GLN A 97 14.522 6.691 2.913 1.00 0.00 H +ATOM 1523 CG GLN A 97 13.372 8.423 3.227 1.00 39.23 C +ATOM 1524 HG1 GLN A 97 12.829 8.026 4.085 1.00 0.00 H +ATOM 1525 HG2 GLN A 97 13.526 9.494 3.360 1.00 0.00 H +ATOM 1526 CD GLN A 97 12.556 8.190 1.970 1.00 39.23 C +ATOM 1527 OE1 GLN A 97 13.108 7.980 0.890 1.00 39.23 O +ATOM 1528 NE2 GLN A 97 11.239 8.226 2.101 1.00 39.23 N +ATOM 1529 1HE2 GLN A 97 10.630 8.074 1.272 1.00 0.00 H +ATOM 1530 2HE2 GLN A 97 10.814 8.407 3.033 1.00 0.00 H +ATOM 1531 N THR A 98 16.895 5.758 4.519 1.00 49.18 N +ATOM 1532 H THR A 98 16.114 5.416 5.115 1.00 0.00 H +ATOM 1533 CA THR A 98 18.014 4.860 4.224 1.00 49.18 C +ATOM 1534 HA THR A 98 18.613 5.344 3.453 1.00 0.00 H +ATOM 1535 C THR A 98 17.463 3.515 3.737 1.00 49.18 C +ATOM 1536 O THR A 98 16.579 2.926 4.362 1.00 49.18 O +ATOM 1537 CB THR A 98 18.956 4.625 5.429 1.00 40.63 C +ATOM 1538 HB THR A 98 19.764 3.968 5.107 1.00 0.00 H +ATOM 1539 OG1 THR A 98 18.226 4.019 6.494 1.00 40.63 O +ATOM 1540 HG1 THR A 98 17.858 3.152 6.189 1.00 0.00 H +ATOM 1541 CG2 THR A 98 19.562 5.923 5.911 1.00 40.63 C +ATOM 1542 1HG2 THR A 98 18.768 6.594 6.237 1.00 0.00 H +ATOM 1543 2HG2 THR A 98 20.234 5.721 6.745 1.00 0.00 H +ATOM 1544 3HG2 THR A 98 20.120 6.386 5.097 1.00 0.00 H +ATOM 1545 N LEU A 99 17.977 3.066 2.596 1.00 62.86 N +ATOM 1546 H LEU A 99 18.706 3.636 2.122 1.00 0.00 H +ATOM 1547 CA LEU A 99 17.567 1.815 1.981 1.00 62.86 C +ATOM 1548 HA LEU A 99 16.477 1.798 1.970 1.00 0.00 H +ATOM 1549 C LEU A 99 18.078 0.629 2.765 1.00 62.86 C +ATOM 1550 O LEU A 99 19.234 0.595 3.186 1.00 62.86 O +ATOM 1551 CB LEU A 99 18.113 1.723 0.558 1.00 73.59 C +ATOM 1552 HB1 LEU A 99 19.201 1.735 0.624 1.00 0.00 H +ATOM 1553 HB2 LEU A 99 17.786 0.769 0.144 1.00 0.00 H +ATOM 1554 CG LEU A 99 17.702 2.815 -0.427 1.00 73.59 C +ATOM 1555 HG LEU A 99 17.896 3.791 0.018 1.00 0.00 H +ATOM 1556 CD1 LEU A 99 18.516 2.712 -1.696 1.00 73.59 C +ATOM 1557 1HD1 LEU A 99 19.574 2.827 -1.458 1.00 0.00 H +ATOM 1558 2HD1 LEU A 99 18.349 1.738 -2.155 1.00 0.00 H +ATOM 1559 3HD1 LEU A 99 18.210 3.498 -2.387 1.00 0.00 H +ATOM 1560 CD2 LEU A 99 16.221 2.706 -0.723 1.00 73.59 C +ATOM 1561 1HD2 LEU A 99 16.010 1.729 -1.158 1.00 0.00 H +ATOM 1562 2HD2 LEU A 99 15.657 2.823 0.202 1.00 0.00 H +ATOM 1563 3HD2 LEU A 99 15.934 3.488 -1.426 1.00 0.00 H +ATOM 1564 N LEU A 100 17.212 -0.354 2.945 1.00 59.49 N +ATOM 1565 H LEU A 100 16.246 -0.257 2.571 1.00 0.00 H +ATOM 1566 CA LEU A 100 17.582 -1.567 3.655 1.00 59.49 C +ATOM 1567 HA LEU A 100 18.284 -1.342 4.458 1.00 0.00 H +ATOM 1568 C LEU A 100 18.205 -2.527 2.632 1.00 59.49 C +ATOM 1569 O LEU A 100 18.779 -3.558 2.995 1.00 59.49 O +ATOM 1570 CB LEU A 100 16.332 -2.213 4.256 1.00 23.89 C +ATOM 1571 HB1 LEU A 100 15.841 -2.766 3.455 1.00 0.00 H +ATOM 1572 HB2 LEU A 100 16.669 -2.910 5.023 1.00 0.00 H +ATOM 1573 CG LEU A 100 15.268 -1.314 4.901 1.00 23.89 C +ATOM 1574 HG LEU A 100 15.022 -0.511 4.205 1.00 0.00 H +ATOM 1575 CD1 LEU A 100 14.003 -2.129 5.179 1.00 23.89 C +ATOM 1576 1HD1 LEU A 100 13.618 -2.530 4.242 1.00 0.00 H +ATOM 1577 2HD1 LEU A 100 14.242 -2.949 5.856 1.00 0.00 H +ATOM 1578 3HD1 LEU A 100 13.251 -1.486 5.637 1.00 0.00 H +ATOM 1579 CD2 LEU A 100 15.791 -0.659 6.170 1.00 23.89 C +ATOM 1580 1HD2 LEU A 100 16.073 -1.431 6.886 1.00 0.00 H +ATOM 1581 2HD2 LEU A 100 16.662 -0.049 5.930 1.00 0.00 H +ATOM 1582 3HD2 LEU A 100 15.012 -0.030 6.600 1.00 0.00 H +ATOM 1583 N GLU A 101 18.098 -2.160 1.354 1.00 96.19 N +ATOM 1584 H GLU A 101 17.639 -1.253 1.135 1.00 0.00 H +ATOM 1585 CA GLU A 101 18.596 -2.973 0.247 1.00 96.19 C +ATOM 1586 HA GLU A 101 18.875 -3.924 0.701 1.00 0.00 H +ATOM 1587 C GLU A 101 19.886 -2.493 -0.428 1.00 96.19 C +ATOM 1588 O GLU A 101 19.899 -2.188 -1.625 1.00 96.19 O +ATOM 1589 CB GLU A 101 17.487 -3.137 -0.796 1.00224.20 C +ATOM 1590 HB1 GLU A 101 17.268 -2.159 -1.224 1.00 0.00 H +ATOM 1591 HB2 GLU A 101 17.847 -3.803 -1.580 1.00 0.00 H +ATOM 1592 CG GLU A 101 16.197 -3.714 -0.229 1.00224.20 C +ATOM 1593 HG1 GLU A 101 16.381 -4.744 0.077 1.00 0.00 H +ATOM 1594 HG2 GLU A 101 15.905 -3.125 0.640 1.00 0.00 H +ATOM 1595 CD GLU A 101 15.057 -3.702 -1.228 1.00224.20 C +ATOM 1596 OE1 GLU A 101 14.677 -2.604 -1.693 1.00224.20 O +ATOM 1597 OE2 GLU A 101 14.535 -4.793 -1.541 1.00224.20 O +ATOM 1598 N GLY A 102 20.954 -2.399 0.360 1.00 92.33 N +ATOM 1599 H GLY A 102 20.850 -2.610 1.373 1.00 0.00 H +ATOM 1600 CA GLY A 102 22.263 -2.011 -0.145 1.00 92.33 C +ATOM 1601 HA1 GLY A 102 22.931 -2.025 0.716 1.00 0.00 H +ATOM 1602 HA2 GLY A 102 22.557 -2.794 -0.844 1.00 0.00 H +ATOM 1603 C GLY A 102 22.530 -0.694 -0.858 1.00 92.33 C +ATOM 1604 O GLY A 102 22.685 0.347 -0.218 1.00 92.33 O +ATOM 1605 N ASP A 103 22.640 -0.765 -2.187 1.00 92.06 N +ATOM 1606 H ASP A 103 22.498 -1.688 -2.644 1.00 0.00 H +ATOM 1607 CA ASP A 103 22.950 0.389 -3.037 1.00 92.06 C +ATOM 1608 HA ASP A 103 23.595 1.002 -2.407 1.00 0.00 H +ATOM 1609 C ASP A 103 21.798 1.311 -3.413 1.00 92.06 C +ATOM 1610 O ASP A 103 20.657 0.866 -3.586 1.00 92.06 O +ATOM 1611 CB ASP A 103 23.642 -0.085 -4.319 1.00156.86 C +ATOM 1612 HB1 ASP A 103 22.985 -0.789 -4.830 1.00 0.00 H +ATOM 1613 HB2 ASP A 103 23.817 0.779 -4.961 1.00 0.00 H +ATOM 1614 CG ASP A 103 24.968 -0.766 -4.052 1.00156.86 C +ATOM 1615 OD1 ASP A 103 25.826 -0.153 -3.382 1.00156.86 O +ATOM 1616 OD2 ASP A 103 25.156 -1.912 -4.514 1.00156.86 O +ATOM 1617 N GLY A 104 22.126 2.591 -3.596 1.00 78.73 N +ATOM 1618 H GLY A 104 23.116 2.883 -3.468 1.00 0.00 H +ATOM 1619 CA GLY A 104 21.135 3.589 -3.970 1.00 78.73 C +ATOM 1620 HA1 GLY A 104 20.877 3.435 -5.018 1.00 0.00 H +ATOM 1621 HA2 GLY A 104 20.250 3.437 -3.353 1.00 0.00 H +ATOM 1622 C GLY A 104 21.590 5.033 -3.800 1.00 78.73 C +ATOM 1623 O GLY A 104 22.765 5.281 -3.525 1.00 78.73 O +ATOM 1624 N PRO A 105 20.691 6.014 -4.018 1.00 71.30 N +ATOM 1625 CA PRO A 105 21.009 7.437 -3.881 1.00 71.30 C +ATOM 1626 HA PRO A 105 22.079 7.646 -3.861 1.00 0.00 H +ATOM 1627 C PRO A 105 20.444 7.976 -2.578 1.00 71.30 C +ATOM 1628 O PRO A 105 19.395 7.525 -2.120 1.00 71.30 O +ATOM 1629 CB PRO A 105 20.295 8.067 -5.084 1.00 34.93 C +ATOM 1630 HB1 PRO A 105 19.708 8.930 -4.769 1.00 0.00 H +ATOM 1631 HB2 PRO A 105 21.019 8.377 -5.837 1.00 0.00 H +ATOM 1632 CG PRO A 105 19.371 6.959 -5.646 1.00 34.93 C +ATOM 1633 HG1 PRO A 105 18.363 7.346 -5.793 1.00 0.00 H +ATOM 1634 HG2 PRO A 105 19.759 6.589 -6.595 1.00 0.00 H +ATOM 1635 CD PRO A 105 19.362 5.861 -4.624 1.00 34.93 C +ATOM 1636 HD1 PRO A 105 19.247 4.883 -5.091 1.00 0.00 H +ATOM 1637 HD2 PRO A 105 18.570 6.007 -3.890 1.00 0.00 H +ATOM 1638 N LYS A 106 21.134 8.944 -1.985 1.00 49.92 N +ATOM 1639 H LYS A 106 22.015 9.281 -2.423 1.00 0.00 H +ATOM 1640 CA LYS A 106 20.685 9.543 -0.737 1.00 49.92 C +ATOM 1641 HA LYS A 106 20.628 8.770 0.029 1.00 0.00 H +ATOM 1642 C LYS A 106 19.303 10.168 -0.941 1.00 49.92 C +ATOM 1643 O LYS A 106 19.189 11.241 -1.542 1.00 49.92 O +ATOM 1644 CB LYS A 106 21.675 10.621 -0.281 1.00161.12 C +ATOM 1645 HB1 LYS A 106 21.699 11.405 -1.038 1.00 0.00 H +ATOM 1646 HB2 LYS A 106 21.317 11.037 0.661 1.00 0.00 H +ATOM 1647 CG LYS A 106 23.095 10.117 -0.071 1.00161.12 C +ATOM 1648 HG1 LYS A 106 23.084 9.337 0.691 1.00 0.00 H +ATOM 1649 HG2 LYS A 106 23.464 9.702 -1.009 1.00 0.00 H +ATOM 1650 CD LYS A 106 24.032 11.233 0.378 1.00161.12 C +ATOM 1651 HD1 LYS A 106 24.156 11.945 -0.438 1.00 0.00 H +ATOM 1652 HD2 LYS A 106 23.595 11.741 1.238 1.00 0.00 H +ATOM 1653 CE LYS A 106 25.400 10.677 0.768 1.00161.12 C +ATOM 1654 HE1 LYS A 106 25.846 10.208 -0.109 1.00 0.00 H +ATOM 1655 HE2 LYS A 106 25.260 9.928 1.548 1.00 0.00 H +ATOM 1656 NZ LYS A 106 26.338 11.721 1.276 1.00161.12 N +ATOM 1657 HZ1 LYS A 106 26.489 12.438 0.538 1.00 0.00 H +ATOM 1658 HZ2 LYS A 106 25.930 12.171 2.120 1.00 0.00 H +ATOM 1659 HZ3 LYS A 106 27.246 11.279 1.523 1.00 0.00 H +ATOM 1660 N THR A 107 18.250 9.490 -0.489 1.00 30.98 N +ATOM 1661 H THR A 107 18.384 8.569 -0.025 1.00 0.00 H +ATOM 1662 CA THR A 107 16.910 10.041 -0.646 1.00 30.98 C +ATOM 1663 HA THR A 107 17.014 10.825 -1.396 1.00 0.00 H +ATOM 1664 C THR A 107 16.372 10.666 0.650 1.00 30.98 C +ATOM 1665 O THR A 107 16.818 10.336 1.760 1.00 30.98 O +ATOM 1666 CB THR A 107 15.896 8.990 -1.155 1.00 33.88 C +ATOM 1667 HB THR A 107 14.963 9.505 -1.385 1.00 0.00 H +ATOM 1668 OG1 THR A 107 15.679 8.002 -0.145 1.00 33.88 O +ATOM 1669 HG1 THR A 107 16.537 7.556 0.068 1.00 0.00 H +ATOM 1670 CG2 THR A 107 16.398 8.309 -2.413 1.00 33.88 C +ATOM 1671 1HG2 THR A 107 17.333 7.793 -2.197 1.00 0.00 H +ATOM 1672 2HG2 THR A 107 15.655 7.589 -2.756 1.00 0.00 H +ATOM 1673 3HG2 THR A 107 16.566 9.057 -3.188 1.00 0.00 H +ATOM 1674 N TYR A 108 15.423 11.588 0.489 1.00 31.63 N +ATOM 1675 H TYR A 108 15.127 11.834 -0.477 1.00 0.00 H +ATOM 1676 CA TYR A 108 14.780 12.269 1.611 1.00 31.63 C +ATOM 1677 HA TYR A 108 14.602 11.537 2.399 1.00 0.00 H +ATOM 1678 C TYR A 108 13.447 12.869 1.159 1.00 31.63 C +ATOM 1679 O TYR A 108 13.077 12.784 -0.023 1.00 31.63 O +ATOM 1680 CB TYR A 108 15.686 13.378 2.176 1.00 38.16 C +ATOM 1681 HB1 TYR A 108 15.263 13.706 3.126 1.00 0.00 H +ATOM 1682 HB2 TYR A 108 16.674 12.950 2.348 1.00 0.00 H +ATOM 1683 CG TYR A 108 15.853 14.607 1.284 1.00 38.16 C +ATOM 1684 CD1 TYR A 108 16.833 14.653 0.298 1.00 38.16 C +ATOM 1685 HD1 TYR A 108 17.469 13.783 0.137 1.00 0.00 H +ATOM 1686 CD2 TYR A 108 15.056 15.737 1.457 1.00 38.16 C +ATOM 1687 HD2 TYR A 108 14.278 15.730 2.220 1.00 0.00 H +ATOM 1688 CE1 TYR A 108 17.018 15.786 -0.486 1.00 38.16 C +ATOM 1689 HE1 TYR A 108 17.792 15.800 -1.253 1.00 0.00 H +ATOM 1690 CE2 TYR A 108 15.234 16.872 0.676 1.00 38.16 C +ATOM 1691 HE2 TYR A 108 14.598 17.745 0.825 1.00 0.00 H +ATOM 1692 CZ TYR A 108 16.221 16.888 -0.290 1.00 38.16 C +ATOM 1693 OH TYR A 108 16.428 18.022 -1.046 1.00 38.16 O +ATOM 1694 HH TYR A 108 17.167 17.861 -1.685 1.00 0.00 H +ATOM 1695 N TRP A 109 12.703 13.410 2.113 1.00 33.84 N +ATOM 1696 H TRP A 109 13.032 13.369 3.099 1.00 0.00 H +ATOM 1697 CA TRP A 109 11.443 14.056 1.813 1.00 33.84 C +ATOM 1698 HA TRP A 109 11.523 14.575 0.858 1.00 0.00 H +ATOM 1699 C TRP A 109 11.144 15.082 2.893 1.00 33.84 C +ATOM 1700 O TRP A 109 11.604 14.933 4.022 1.00 33.84 O +ATOM 1701 CB TRP A 109 10.299 13.035 1.623 1.00 17.04 C +ATOM 1702 HB1 TRP A 109 9.463 13.576 1.180 1.00 0.00 H +ATOM 1703 HB2 TRP A 109 10.658 12.285 0.919 1.00 0.00 H +ATOM 1704 CG TRP A 109 9.754 12.288 2.820 1.00 17.04 C +ATOM 1705 CD1 TRP A 109 9.773 10.928 2.999 1.00 17.04 C +ATOM 1706 HD1 TRP A 109 10.322 10.225 2.373 1.00 0.00 H +ATOM 1707 CD2 TRP A 109 8.935 12.815 3.893 1.00 17.04 C +ATOM 1708 NE1 TRP A 109 8.998 10.578 4.085 1.00 17.04 N +ATOM 1709 HE1 TRP A 109 8.836 9.608 4.423 1.00 0.00 H +ATOM 1710 CE2 TRP A 109 8.475 11.716 4.648 1.00 17.04 C +ATOM 1711 CE3 TRP A 109 8.540 14.102 4.276 1.00 17.04 C +ATOM 1712 HE3 TRP A 109 8.881 14.974 3.718 1.00 0.00 H +ATOM 1713 CZ2 TRP A 109 7.641 11.870 5.753 1.00 17.04 C +ATOM 1714 HZ2 TRP A 109 7.298 11.008 6.325 1.00 0.00 H +ATOM 1715 CZ3 TRP A 109 7.711 14.250 5.372 1.00 17.04 C +ATOM 1716 HZ3 TRP A 109 7.398 15.249 5.677 1.00 0.00 H +ATOM 1717 CH2 TRP A 109 7.268 13.141 6.095 1.00 17.04 C +ATOM 1718 HH2 TRP A 109 6.610 13.291 6.951 1.00 0.00 H +ATOM 1719 N THR A 110 10.464 16.173 2.538 1.00 39.03 N +ATOM 1720 H THR A 110 10.159 16.296 1.551 1.00 0.00 H +ATOM 1721 CA THR A 110 10.147 17.194 3.529 1.00 39.03 C +ATOM 1722 HA THR A 110 10.114 16.656 4.476 1.00 0.00 H +ATOM 1723 C THR A 110 8.801 17.863 3.280 1.00 39.03 C +ATOM 1724 O THR A 110 8.666 18.641 2.342 1.00 39.03 O +ATOM 1725 CB THR A 110 11.232 18.319 3.587 1.00 32.78 C +ATOM 1726 HB THR A 110 11.122 18.828 4.544 1.00 0.00 H +ATOM 1727 OG1 THR A 110 11.040 19.232 2.502 1.00 32.78 O +ATOM 1728 HG1 THR A 110 10.140 19.640 2.570 1.00 0.00 H +ATOM 1729 CG2 THR A 110 12.652 17.748 3.499 1.00 32.78 C +ATOM 1730 1HG2 THR A 110 12.775 17.228 2.549 1.00 0.00 H +ATOM 1731 2HG2 THR A 110 13.374 18.562 3.565 1.00 0.00 H +ATOM 1732 3HG2 THR A 110 12.813 17.050 4.320 1.00 0.00 H +ATOM 1733 N ARG A 111 7.808 17.562 4.113 1.00 35.58 N +ATOM 1734 H ARG A 111 7.968 16.869 4.872 1.00 0.00 H +ATOM 1735 CA ARG A 111 6.490 18.194 3.977 1.00 35.58 C +ATOM 1736 HA ARG A 111 6.335 18.464 2.932 1.00 0.00 H +ATOM 1737 C ARG A 111 6.452 19.459 4.848 1.00 35.58 C +ATOM 1738 O ARG A 111 6.873 19.441 5.998 1.00 35.58 O +ATOM 1739 CB ARG A 111 5.357 17.231 4.358 1.00 18.64 C +ATOM 1740 HB1 ARG A 111 5.603 16.775 5.317 1.00 0.00 H +ATOM 1741 HB2 ARG A 111 4.437 17.807 4.457 1.00 0.00 H +ATOM 1742 CG ARG A 111 5.117 16.115 3.345 1.00 18.64 C +ATOM 1743 HG1 ARG A 111 4.909 16.557 2.371 1.00 0.00 H +ATOM 1744 HG2 ARG A 111 6.012 15.497 3.278 1.00 0.00 H +ATOM 1745 CD ARG A 111 3.942 15.244 3.755 1.00 18.64 C +ATOM 1746 HD1 ARG A 111 3.077 15.890 3.905 1.00 0.00 H +ATOM 1747 HD2 ARG A 111 4.195 14.754 4.695 1.00 0.00 H +ATOM 1748 NE ARG A 111 3.573 14.205 2.784 1.00 18.64 N +ATOM 1749 HE ARG A 111 2.678 14.327 2.269 1.00 0.00 H +ATOM 1750 CZ ARG A 111 4.296 13.117 2.510 1.00 18.64 C +ATOM 1751 NH1 ARG A 111 5.465 12.879 3.093 1.00 18.64 N +ATOM 1752 1HH1 ARG A 111 5.846 13.552 3.789 1.00 0.00 H +ATOM 1753 2HH1 ARG A 111 6.000 12.020 2.854 1.00 0.00 H +ATOM 1754 NH2 ARG A 111 3.784 12.187 1.727 1.00 18.64 N +ATOM 1755 1HH2 ARG A 111 2.829 12.307 1.332 1.00 0.00 H +ATOM 1756 2HH2 ARG A 111 4.335 11.334 1.504 1.00 0.00 H +ATOM 1757 N GLU A 112 5.954 20.558 4.292 1.00 44.36 N +ATOM 1758 H GLU A 112 5.597 20.510 3.317 1.00 0.00 H +ATOM 1759 CA GLU A 112 5.892 21.830 5.005 1.00 44.36 C +ATOM 1760 HA GLU A 112 5.887 21.624 6.075 1.00 0.00 H +ATOM 1761 C GLU A 112 4.618 22.607 4.693 1.00 44.36 C +ATOM 1762 O GLU A 112 4.265 22.761 3.527 1.00 44.36 O +ATOM 1763 CB GLU A 112 7.107 22.660 4.610 1.00 68.83 C +ATOM 1764 HB1 GLU A 112 7.958 22.315 5.198 1.00 0.00 H +ATOM 1765 HB2 GLU A 112 7.304 22.488 3.552 1.00 0.00 H +ATOM 1766 CG GLU A 112 6.964 24.144 4.823 1.00 68.83 C +ATOM 1767 HG1 GLU A 112 6.048 24.480 4.338 1.00 0.00 H +ATOM 1768 HG2 GLU A 112 6.899 24.339 5.893 1.00 0.00 H +ATOM 1769 CD GLU A 112 8.130 24.928 4.256 1.00 68.83 C +ATOM 1770 OE1 GLU A 112 9.081 24.315 3.721 1.00 68.83 O +ATOM 1771 OE2 GLU A 112 8.095 26.171 4.347 1.00 68.83 O +ATOM 1772 N LEU A 113 3.945 23.107 5.730 1.00 38.88 N +ATOM 1773 H LEU A 113 4.310 22.945 6.690 1.00 0.00 H +ATOM 1774 CA LEU A 113 2.708 23.877 5.562 1.00 38.88 C +ATOM 1775 HA LEU A 113 2.188 23.542 4.665 1.00 0.00 H +ATOM 1776 C LEU A 113 3.053 25.356 5.425 1.00 38.88 C +ATOM 1777 O LEU A 113 3.415 25.984 6.408 1.00 38.88 O +ATOM 1778 CB LEU A 113 1.796 23.662 6.765 1.00 19.69 C +ATOM 1779 HB1 LEU A 113 1.893 22.619 7.068 1.00 0.00 H +ATOM 1780 HB2 LEU A 113 2.155 24.307 7.567 1.00 0.00 H +ATOM 1781 CG LEU A 113 0.303 23.949 6.576 1.00 19.69 C +ATOM 1782 HG LEU A 113 0.190 25.020 6.407 1.00 0.00 H +ATOM 1783 CD1 LEU A 113 -0.274 23.220 5.372 1.00 19.69 C +ATOM 1784 1HD1 LEU A 113 0.250 23.539 4.471 1.00 0.00 H +ATOM 1785 2HD1 LEU A 113 -0.149 22.145 5.505 1.00 0.00 H +ATOM 1786 3HD1 LEU A 113 -1.334 23.455 5.280 1.00 0.00 H +ATOM 1787 CD2 LEU A 113 -0.443 23.508 7.814 1.00 19.69 C +ATOM 1788 1HD2 LEU A 113 -0.290 22.440 7.968 1.00 0.00 H +ATOM 1789 2HD2 LEU A 113 -0.069 24.058 8.677 1.00 0.00 H +ATOM 1790 3HD2 LEU A 113 -1.507 23.709 7.687 1.00 0.00 H +ATOM 1791 N ALA A 114 2.939 25.905 4.213 1.00 54.79 N +ATOM 1792 H ALA A 114 2.588 25.320 3.428 1.00 0.00 H +ATOM 1793 CA ALA A 114 3.291 27.303 3.952 1.00 54.79 C +ATOM 1794 HA ALA A 114 4.177 27.468 4.564 1.00 0.00 H +ATOM 1795 C ALA A 114 2.293 28.337 4.406 1.00 54.79 C +ATOM 1796 O ALA A 114 2.665 29.340 5.006 1.00 54.79 O +ATOM 1797 CB ALA A 114 3.570 27.503 2.509 1.00 33.78 C +ATOM 1798 HB1 ALA A 114 4.401 26.864 2.209 1.00 0.00 H +ATOM 1799 HB2 ALA A 114 2.684 27.245 1.930 1.00 0.00 H +ATOM 1800 HB3 ALA A 114 3.830 28.547 2.332 1.00 0.00 H +ATOM 1801 N ASN A 115 1.044 28.152 4.014 1.00 51.18 N +ATOM 1802 H ASN A 115 0.823 27.324 3.425 1.00 0.00 H +ATOM 1803 CA ASN A 115 -0.038 29.064 4.375 1.00 51.18 C +ATOM 1804 HA ASN A 115 -0.192 29.133 5.452 1.00 0.00 H +ATOM 1805 C ASN A 115 -1.236 28.495 3.648 1.00 51.18 C +ATOM 1806 O ASN A 115 -1.574 28.920 2.544 1.00 51.18 O +ATOM 1807 CB ASN A 115 0.266 30.505 3.923 1.00120.69 C +ATOM 1808 HB1 ASN A 115 -0.666 31.069 3.909 1.00 0.00 H +ATOM 1809 HB2 ASN A 115 0.952 30.957 4.639 1.00 0.00 H +ATOM 1810 CG ASN A 115 0.896 30.573 2.537 1.00120.69 C +ATOM 1811 OD1 ASN A 115 0.196 30.662 1.530 1.00120.69 O +ATOM 1812 ND2 ASN A 115 2.224 30.554 2.484 1.00120.69 N +ATOM 1813 1HD2 ASN A 115 2.709 30.616 1.566 1.00 0.00 H +ATOM 1814 2HD2 ASN A 115 2.778 30.477 3.361 1.00 0.00 H +ATOM 1815 N ASP A 116 -1.841 27.478 4.251 1.00 80.89 N +ATOM 1816 H ASP A 116 -1.501 27.167 5.183 1.00 0.00 H +ATOM 1817 CA ASP A 116 -2.969 26.786 3.640 1.00 80.89 C +ATOM 1818 HA ASP A 116 -3.353 26.052 4.349 1.00 0.00 H +ATOM 1819 C ASP A 116 -2.490 26.077 2.370 1.00 80.89 C +ATOM 1820 O ASP A 116 -3.293 25.715 1.503 1.00 80.89 O +ATOM 1821 CB ASP A 116 -4.126 27.744 3.327 1.00147.23 C +ATOM 1822 HB1 ASP A 116 -3.728 28.755 3.235 1.00 0.00 H +ATOM 1823 HB2 ASP A 116 -4.580 27.446 2.382 1.00 0.00 H +ATOM 1824 CG ASP A 116 -5.195 27.738 4.404 1.00147.23 C +ATOM 1825 OD1 ASP A 116 -6.018 26.797 4.418 1.00147.23 O +ATOM 1826 OD2 ASP A 116 -5.216 28.676 5.230 1.00147.23 O +ATOM 1827 N GLU A 117 -1.171 25.914 2.262 1.00 48.02 N +ATOM 1828 H GLU A 117 -0.565 26.297 3.015 1.00 0.00 H +ATOM 1829 CA GLU A 117 -0.533 25.228 1.144 1.00 48.02 C +ATOM 1830 HA GLU A 117 -1.303 24.761 0.531 1.00 0.00 H +ATOM 1831 C GLU A 117 0.425 24.194 1.715 1.00 48.02 C +ATOM 1832 O GLU A 117 1.024 24.422 2.766 1.00 48.02 O +ATOM 1833 CB GLU A 117 0.236 26.191 0.253 1.00 62.32 C +ATOM 1834 HB1 GLU A 117 0.771 26.896 0.889 1.00 0.00 H +ATOM 1835 HB2 GLU A 117 0.952 25.618 -0.336 1.00 0.00 H +ATOM 1836 CG GLU A 117 -0.639 26.969 -0.688 1.00 62.32 C +ATOM 1837 HG1 GLU A 117 -1.455 26.327 -1.019 1.00 0.00 H +ATOM 1838 HG2 GLU A 117 -1.047 27.829 -0.157 1.00 0.00 H +ATOM 1839 CD GLU A 117 0.116 27.461 -1.903 1.00 62.32 C +ATOM 1840 OE1 GLU A 117 1.340 27.715 -1.786 1.00 62.32 O +ATOM 1841 OE2 GLU A 117 -0.522 27.589 -2.976 1.00 62.32 O +ATOM 1842 N LEU A 118 0.620 23.101 0.985 1.00 30.46 N +ATOM 1843 H LEU A 118 0.156 23.020 0.058 1.00 0.00 H +ATOM 1844 CA LEU A 118 1.465 22.019 1.451 1.00 30.46 C +ATOM 1845 HA LEU A 118 1.975 22.341 2.359 1.00 0.00 H +ATOM 1846 C LEU A 118 2.595 21.678 0.489 1.00 30.46 C +ATOM 1847 O LEU A 118 2.485 20.800 -0.353 1.00 30.46 O +ATOM 1848 CB LEU A 118 0.576 20.811 1.764 1.00 2.00 C +ATOM 1849 HB1 LEU A 118 -0.024 21.091 2.630 1.00 0.00 H +ATOM 1850 HB2 LEU A 118 -0.075 20.680 0.899 1.00 0.00 H +ATOM 1851 CG LEU A 118 1.157 19.428 2.076 1.00 2.00 C +ATOM 1852 HG LEU A 118 1.514 18.967 1.155 1.00 0.00 H +ATOM 1853 CD1 LEU A 118 2.335 19.528 3.012 1.00 2.00 C +ATOM 1854 1HD1 LEU A 118 3.113 20.136 2.551 1.00 0.00 H +ATOM 1855 2HD1 LEU A 118 2.017 19.990 3.946 1.00 0.00 H +ATOM 1856 3HD1 LEU A 118 2.724 18.530 3.213 1.00 0.00 H +ATOM 1857 CD2 LEU A 118 0.068 18.594 2.697 1.00 2.00 C +ATOM 1858 1HD2 LEU A 118 -0.277 19.073 3.613 1.00 0.00 H +ATOM 1859 2HD2 LEU A 118 -0.763 18.504 1.997 1.00 0.00 H +ATOM 1860 3HD2 LEU A 118 0.458 17.603 2.928 1.00 0.00 H +ATOM 1861 N ILE A 119 3.718 22.341 0.685 1.00 18.37 N +ATOM 1862 H ILE A 119 3.770 23.019 1.472 1.00 0.00 H +ATOM 1863 CA ILE A 119 4.880 22.159 -0.156 1.00 18.37 C +ATOM 1864 HA ILE A 119 4.520 22.159 -1.185 1.00 0.00 H +ATOM 1865 C ILE A 119 5.599 20.840 0.112 1.00 18.37 C +ATOM 1866 O ILE A 119 6.327 20.727 1.099 1.00 18.37 O +ATOM 1867 CB ILE A 119 5.891 23.300 0.096 1.00 20.61 C +ATOM 1868 HB ILE A 119 6.461 23.055 0.992 1.00 0.00 H +ATOM 1869 CG1 ILE A 119 5.168 24.625 0.348 1.00 20.61 C +ATOM 1870 1HG1 ILE A 119 4.560 24.514 1.246 1.00 0.00 H +ATOM 1871 2HG1 ILE A 119 5.921 25.396 0.513 1.00 0.00 H +ATOM 1872 CG2 ILE A 119 6.859 23.421 -1.052 1.00 20.61 C +ATOM 1873 1HG2 ILE A 119 7.406 22.485 -1.165 1.00 0.00 H +ATOM 1874 2HG2 ILE A 119 6.309 23.634 -1.968 1.00 0.00 H +ATOM 1875 3HG2 ILE A 119 7.560 24.231 -0.851 1.00 0.00 H +ATOM 1876 CD1 ILE A 119 4.272 25.077 -0.770 1.00 20.61 C +ATOM 1877 1HD1 ILE A 119 4.863 25.208 -1.677 1.00 0.00 H +ATOM 1878 2HD1 ILE A 119 3.501 24.326 -0.942 1.00 0.00 H +ATOM 1879 3HD1 ILE A 119 3.804 26.024 -0.499 1.00 0.00 H +ATOM 1880 N LEU A 120 5.432 19.858 -0.771 1.00 20.35 N +ATOM 1881 H LEU A 120 4.802 20.008 -1.585 1.00 0.00 H +ATOM 1882 CA LEU A 120 6.119 18.563 -0.621 1.00 20.35 C +ATOM 1883 HA LEU A 120 6.379 18.444 0.431 1.00 0.00 H +ATOM 1884 C LEU A 120 7.401 18.533 -1.450 1.00 20.35 C +ATOM 1885 O LEU A 120 7.404 18.936 -2.612 1.00 20.35 O +ATOM 1886 CB LEU A 120 5.203 17.404 -1.025 1.00 25.51 C +ATOM 1887 HB1 LEU A 120 4.450 17.312 -0.242 1.00 0.00 H +ATOM 1888 HB2 LEU A 120 4.721 17.695 -1.958 1.00 0.00 H +ATOM 1889 CG LEU A 120 5.785 16.000 -1.247 1.00 25.51 C +ATOM 1890 HG LEU A 120 6.561 16.065 -2.010 1.00 0.00 H +ATOM 1891 CD1 LEU A 120 6.476 15.429 -0.013 1.00 25.51 C +ATOM 1892 1HD1 LEU A 120 7.298 16.083 0.277 1.00 0.00 H +ATOM 1893 2HD1 LEU A 120 5.759 15.361 0.805 1.00 0.00 H +ATOM 1894 3HD1 LEU A 120 6.863 14.436 -0.242 1.00 0.00 H +ATOM 1895 CD2 LEU A 120 4.646 15.093 -1.689 1.00 25.51 C +ATOM 1896 1HD2 LEU A 120 3.881 15.069 -0.913 1.00 0.00 H +ATOM 1897 2HD2 LEU A 120 4.216 15.477 -2.614 1.00 0.00 H +ATOM 1898 3HD2 LEU A 120 5.029 14.086 -1.855 1.00 0.00 H +ATOM 1899 N THR A 121 8.483 18.039 -0.856 1.00 42.91 N +ATOM 1900 H THR A 121 8.405 17.687 0.120 1.00 0.00 H +ATOM 1901 CA THR A 121 9.776 17.974 -1.527 1.00 42.91 C +ATOM 1902 HA THR A 121 9.602 18.287 -2.556 1.00 0.00 H +ATOM 1903 C THR A 121 10.346 16.578 -1.489 1.00 42.91 C +ATOM 1904 O THR A 121 10.279 15.912 -0.463 1.00 42.91 O +ATOM 1905 CB THR A 121 10.801 18.894 -0.842 1.00 34.46 C +ATOM 1906 HB THR A 121 10.874 18.605 0.206 1.00 0.00 H +ATOM 1907 OG1 THR A 121 10.370 20.255 -0.934 1.00 34.46 O +ATOM 1908 HG1 THR A 121 11.034 20.841 -0.491 1.00 0.00 H +ATOM 1909 CG2 THR A 121 12.179 18.745 -1.479 1.00 34.46 C +ATOM 1910 1HG2 THR A 121 12.127 19.037 -2.528 1.00 0.00 H +ATOM 1911 2HG2 THR A 121 12.890 19.385 -0.957 1.00 0.00 H +ATOM 1912 3HG2 THR A 121 12.501 17.706 -1.406 1.00 0.00 H +ATOM 1913 N PHE A 122 10.937 16.156 -2.600 1.00 19.23 N +ATOM 1914 H PHE A 122 10.960 16.786 -3.427 1.00 0.00 H +ATOM 1915 CA PHE A 122 11.553 14.843 -2.700 1.00 19.23 C +ATOM 1916 HA PHE A 122 11.512 14.351 -1.728 1.00 0.00 H +ATOM 1917 C PHE A 122 12.959 15.055 -3.201 1.00 19.23 C +ATOM 1918 O PHE A 122 13.165 15.688 -4.233 1.00 19.23 O +ATOM 1919 CB PHE A 122 10.840 13.979 -3.726 1.00 22.17 C +ATOM 1920 HB1 PHE A 122 10.667 14.581 -4.618 1.00 0.00 H +ATOM 1921 HB2 PHE A 122 11.489 13.139 -3.976 1.00 0.00 H +ATOM 1922 CG PHE A 122 9.540 13.441 -3.270 1.00 22.17 C +ATOM 1923 CD1 PHE A 122 9.476 12.582 -2.197 1.00 22.17 C +ATOM 1924 HD1 PHE A 122 10.385 12.332 -1.650 1.00 0.00 H +ATOM 1925 CD2 PHE A 122 8.379 13.752 -3.947 1.00 22.17 C +ATOM 1926 HD2 PHE A 122 8.420 14.435 -4.795 1.00 0.00 H +ATOM 1927 CE1 PHE A 122 8.261 12.030 -1.804 1.00 22.17 C +ATOM 1928 HE1 PHE A 122 8.221 11.348 -0.955 1.00 0.00 H +ATOM 1929 CE2 PHE A 122 7.161 13.210 -3.566 1.00 22.17 C +ATOM 1930 HE2 PHE A 122 6.254 13.466 -4.113 1.00 0.00 H +ATOM 1931 CZ PHE A 122 7.101 12.348 -2.494 1.00 22.17 C +ATOM 1932 HZ PHE A 122 6.147 11.918 -2.189 1.00 0.00 H +ATOM 1933 N GLY A 123 13.939 14.541 -2.485 1.00 35.10 N +ATOM 1934 H GLY A 123 13.741 14.030 -1.601 1.00 0.00 H +ATOM 1935 CA GLY A 123 15.290 14.703 -2.954 1.00 35.10 C +ATOM 1936 HA1 GLY A 123 15.299 15.352 -3.829 1.00 0.00 H +ATOM 1937 HA2 GLY A 123 15.900 15.147 -2.168 1.00 0.00 H +ATOM 1938 C GLY A 123 15.843 13.350 -3.321 1.00 35.10 C +ATOM 1939 O GLY A 123 15.322 12.318 -2.881 1.00 35.10 O +ATOM 1940 N ALA A 124 16.881 13.351 -4.148 1.00 27.90 N +ATOM 1941 H ALA A 124 17.230 14.259 -4.517 1.00 0.00 H +ATOM 1942 CA ALA A 124 17.545 12.126 -4.554 1.00 27.90 C +ATOM 1943 HA ALA A 124 17.750 11.497 -3.688 1.00 0.00 H +ATOM 1944 C ALA A 124 18.822 12.530 -5.245 1.00 27.90 C +ATOM 1945 O ALA A 124 18.898 12.461 -6.461 1.00 27.90 O +ATOM 1946 CB ALA A 124 16.668 11.314 -5.488 1.00 12.95 C +ATOM 1947 HB1 ALA A 124 15.739 11.056 -4.979 1.00 0.00 H +ATOM 1948 HB2 ALA A 124 16.445 11.902 -6.378 1.00 0.00 H +ATOM 1949 HB3 ALA A 124 17.192 10.402 -5.775 1.00 0.00 H +ATOM 1950 N ASP A 125 19.803 12.981 -4.466 1.00 76.85 N +ATOM 1951 H ASP A 125 19.648 13.025 -3.439 1.00 0.00 H +ATOM 1952 CA ASP A 125 21.090 13.417 -5.004 1.00 76.85 C +ATOM 1953 HA ASP A 125 21.733 13.639 -4.152 1.00 0.00 H +ATOM 1954 C ASP A 125 20.894 14.640 -5.888 1.00 76.85 C +ATOM 1955 O ASP A 125 20.516 14.491 -7.044 1.00 76.85 O +ATOM 1956 CB ASP A 125 21.738 12.325 -5.878 1.00 72.87 C +ATOM 1957 HB1 ASP A 125 20.978 11.926 -6.550 1.00 0.00 H +ATOM 1958 HB2 ASP A 125 22.536 12.781 -6.463 1.00 0.00 H +ATOM 1959 CG ASP A 125 22.322 11.180 -5.086 1.00 72.87 C +ATOM 1960 OD1 ASP A 125 22.322 11.234 -3.839 1.00 72.87 O +ATOM 1961 OD2 ASP A 125 22.799 10.220 -5.727 1.00 72.87 O +ATOM 1962 N ASP A 126 21.194 15.831 -5.374 1.00 61.12 N +ATOM 1963 H ASP A 126 21.533 15.884 -4.392 1.00 0.00 H +ATOM 1964 CA ASP A 126 21.062 17.071 -6.148 1.00 61.12 C +ATOM 1965 HA ASP A 126 21.463 17.880 -5.537 1.00 0.00 H +ATOM 1966 C ASP A 126 19.604 17.317 -6.479 1.00 61.12 C +ATOM 1967 O ASP A 126 19.014 18.305 -6.043 1.00 61.12 O +ATOM 1968 CB ASP A 126 21.852 17.004 -7.470 1.00159.99 C +ATOM 1969 HB1 ASP A 126 21.389 16.255 -8.113 1.00 0.00 H +ATOM 1970 HB2 ASP A 126 21.800 17.979 -7.954 1.00 0.00 H +ATOM 1971 CG ASP A 126 23.312 16.638 -7.279 1.00159.99 C +ATOM 1972 OD1 ASP A 126 23.982 17.258 -6.427 1.00159.99 O +ATOM 1973 OD2 ASP A 126 23.794 15.739 -8.002 1.00159.99 O +ATOM 1974 N VAL A 127 19.058 16.435 -7.311 1.00 48.94 N +ATOM 1975 H VAL A 127 19.659 15.662 -7.663 1.00 0.00 H +ATOM 1976 CA VAL A 127 17.682 16.479 -7.760 1.00 48.94 C +ATOM 1977 HA VAL A 127 17.606 17.344 -8.419 1.00 0.00 H +ATOM 1978 C VAL A 127 16.671 16.728 -6.643 1.00 48.94 C +ATOM 1979 O VAL A 127 16.614 16.016 -5.638 1.00 48.94 O +ATOM 1980 CB VAL A 127 17.331 15.194 -8.549 1.00 9.22 C +ATOM 1981 HB VAL A 127 17.347 14.350 -7.859 1.00 0.00 H +ATOM 1982 CG1 VAL A 127 15.924 15.279 -9.152 1.00 9.22 C +ATOM 1983 1HG1 VAL A 127 15.194 15.406 -8.352 1.00 0.00 H +ATOM 1984 2HG1 VAL A 127 15.872 16.130 -9.832 1.00 0.00 H +ATOM 1985 3HG1 VAL A 127 15.709 14.361 -9.699 1.00 0.00 H +ATOM 1986 CG2 VAL A 127 18.360 14.974 -9.646 1.00 9.22 C +ATOM 1987 1HG2 VAL A 127 18.356 15.828 -10.323 1.00 0.00 H +ATOM 1988 2HG2 VAL A 127 19.348 14.867 -9.199 1.00 0.00 H +ATOM 1989 3HG2 VAL A 127 18.111 14.069 -10.200 1.00 0.00 H +ATOM 1990 N VAL A 128 15.906 17.791 -6.838 1.00 28.88 N +ATOM 1991 H VAL A 128 16.057 18.351 -7.701 1.00 0.00 H +ATOM 1992 CA VAL A 128 14.877 18.218 -5.926 1.00 28.88 C +ATOM 1993 HA VAL A 128 14.747 17.507 -5.110 1.00 0.00 H +ATOM 1994 C VAL A 128 13.591 18.350 -6.744 1.00 28.88 C +ATOM 1995 O VAL A 128 13.545 19.014 -7.785 1.00 28.88 O +ATOM 1996 CB VAL A 128 15.255 19.559 -5.329 1.00 20.46 C +ATOM 1997 HB VAL A 128 15.460 20.264 -6.135 1.00 0.00 H +ATOM 1998 CG1 VAL A 128 14.119 20.117 -4.503 1.00 20.46 C +ATOM 1999 1HG1 VAL A 128 13.241 20.248 -5.136 1.00 0.00 H +ATOM 2000 2HG1 VAL A 128 13.885 19.425 -3.694 1.00 0.00 H +ATOM 2001 3HG1 VAL A 128 14.414 21.080 -4.085 1.00 0.00 H +ATOM 2002 CG2 VAL A 128 16.474 19.394 -4.491 1.00 20.46 C +ATOM 2003 1HG2 VAL A 128 16.270 18.681 -3.692 1.00 0.00 H +ATOM 2004 2HG2 VAL A 128 17.292 19.024 -5.110 1.00 0.00 H +ATOM 2005 3HG2 VAL A 128 16.750 20.356 -4.059 1.00 0.00 H +ATOM 2006 N CYS A 129 12.554 17.682 -6.278 1.00 21.90 N +ATOM 2007 H CYS A 129 12.660 17.129 -5.404 1.00 0.00 H +ATOM 2008 CA CYS A 129 11.280 17.698 -6.946 1.00 21.90 C +ATOM 2009 HA CYS A 129 11.311 18.250 -7.886 1.00 0.00 H +ATOM 2010 C CYS A 129 10.306 18.339 -5.990 1.00 21.90 C +ATOM 2011 O CYS A 129 10.157 17.873 -4.856 1.00 21.90 O +ATOM 2012 CB CYS A 129 10.870 16.266 -7.248 1.00 19.34 C +ATOM 2013 HB1 CYS A 129 11.137 15.647 -6.392 1.00 0.00 H +ATOM 2014 HB2 CYS A 129 11.424 15.930 -8.125 1.00 0.00 H +ATOM 2015 SG CYS A 129 9.138 16.050 -7.570 1.00 19.34 S +ATOM 2016 HG CYS A 129 8.776 16.811 -8.663 1.00 0.00 H +ATOM 2017 N THR A 130 9.682 19.438 -6.407 1.00 2.00 N +ATOM 2018 H THR A 130 9.880 19.822 -7.353 1.00 0.00 H +ATOM 2019 CA THR A 130 8.724 20.100 -5.539 1.00 2.00 C +ATOM 2020 HA THR A 130 8.804 19.620 -4.563 1.00 0.00 H +ATOM 2021 C THR A 130 7.323 19.951 -6.091 1.00 2.00 C +ATOM 2022 O THR A 130 7.071 20.215 -7.270 1.00 2.00 O +ATOM 2023 CB THR A 130 9.020 21.570 -5.377 1.00 24.90 C +ATOM 2024 HB THR A 130 8.819 22.086 -6.316 1.00 0.00 H +ATOM 2025 OG1 THR A 130 10.390 21.739 -5.013 1.00 24.90 O +ATOM 2026 HG1 THR A 130 10.585 22.704 -4.906 1.00 0.00 H +ATOM 2027 CG2 THR A 130 8.151 22.138 -4.285 1.00 24.90 C +ATOM 2028 1HG2 THR A 130 8.352 21.612 -3.352 1.00 0.00 H +ATOM 2029 2HG2 THR A 130 8.372 23.198 -4.161 1.00 0.00 H +ATOM 2030 3HG2 THR A 130 7.102 22.013 -4.555 1.00 0.00 H +ATOM 2031 N ARG A 131 6.414 19.504 -5.239 1.00 23.85 N +ATOM 2032 H ARG A 131 6.700 19.276 -4.265 1.00 0.00 H +ATOM 2033 CA ARG A 131 5.036 19.325 -5.628 1.00 23.85 C +ATOM 2034 HA ARG A 131 4.790 19.655 -6.637 1.00 0.00 H +ATOM 2035 C ARG A 131 4.276 20.134 -4.591 1.00 23.85 C +ATOM 2036 O ARG A 131 4.542 20.010 -3.396 1.00 23.85 O +ATOM 2037 CB ARG A 131 4.706 17.838 -5.593 1.00 20.40 C +ATOM 2038 HB1 ARG A 131 4.886 17.453 -4.589 1.00 0.00 H +ATOM 2039 HB2 ARG A 131 3.657 17.696 -5.852 1.00 0.00 H +ATOM 2040 CG ARG A 131 5.581 17.075 -6.592 1.00 20.40 C +ATOM 2041 HG1 ARG A 131 5.243 17.321 -7.599 1.00 0.00 H +ATOM 2042 HG2 ARG A 131 6.612 17.406 -6.465 1.00 0.00 H +ATOM 2043 CD ARG A 131 5.544 15.569 -6.435 1.00 20.40 C +ATOM 2044 HD1 ARG A 131 5.894 15.316 -5.434 1.00 0.00 H +ATOM 2045 HD2 ARG A 131 6.211 15.126 -7.175 1.00 0.00 H +ATOM 2046 NE ARG A 131 4.212 15.007 -6.616 1.00 20.40 N +ATOM 2047 HE ARG A 131 3.730 14.631 -5.775 1.00 0.00 H +ATOM 2048 CZ ARG A 131 3.568 14.939 -7.776 1.00 20.40 C +ATOM 2049 NH1 ARG A 131 4.123 15.412 -8.880 1.00 20.40 N +ATOM 2050 1HH1 ARG A 131 5.070 15.841 -8.844 1.00 0.00 H +ATOM 2051 2HH1 ARG A 131 3.612 15.355 -9.784 1.00 0.00 H +ATOM 2052 NH2 ARG A 131 2.389 14.331 -7.842 1.00 20.40 N +ATOM 2053 1HH2 ARG A 131 1.973 13.910 -6.987 1.00 0.00 H +ATOM 2054 2HH2 ARG A 131 1.882 14.276 -8.749 1.00 0.00 H +ATOM 2055 N ILE A 132 3.394 21.020 -5.045 1.00 18.33 N +ATOM 2056 H ILE A 132 3.235 21.094 -6.070 1.00 0.00 H +ATOM 2057 CA ILE A 132 2.645 21.889 -4.149 1.00 18.33 C +ATOM 2058 HA ILE A 132 3.080 21.819 -3.152 1.00 0.00 H +ATOM 2059 C ILE A 132 1.203 21.469 -4.078 1.00 18.33 C +ATOM 2060 O ILE A 132 0.549 21.384 -5.096 1.00 18.33 O +ATOM 2061 CB ILE A 132 2.720 23.319 -4.662 1.00 2.00 C +ATOM 2062 HB ILE A 132 2.312 23.337 -5.672 1.00 0.00 H +ATOM 2063 CG1 ILE A 132 4.160 23.771 -4.662 1.00 2.00 C +ATOM 2064 1HG1 ILE A 132 4.527 23.799 -3.636 1.00 0.00 H +ATOM 2065 2HG1 ILE A 132 4.757 23.067 -5.241 1.00 0.00 H +ATOM 2066 CG2 ILE A 132 1.900 24.266 -3.809 1.00 2.00 C +ATOM 2067 1HG2 ILE A 132 0.856 23.952 -3.820 1.00 0.00 H +ATOM 2068 2HG2 ILE A 132 2.275 24.248 -2.786 1.00 0.00 H +ATOM 2069 3HG2 ILE A 132 1.981 25.276 -4.210 1.00 0.00 H +ATOM 2070 CD1 ILE A 132 4.279 25.093 -5.248 1.00 2.00 C +ATOM 2071 1HD1 ILE A 132 3.916 25.068 -6.275 1.00 0.00 H +ATOM 2072 2HD1 ILE A 132 3.686 25.801 -4.669 1.00 0.00 H +ATOM 2073 3HD1 ILE A 132 5.325 25.400 -5.239 1.00 0.00 H +ATOM 2074 N TYR A 133 0.704 21.215 -2.877 1.00 34.61 N +ATOM 2075 H TYR A 133 1.313 21.326 -2.041 1.00 0.00 H +ATOM 2076 CA TYR A 133 -0.676 20.785 -2.697 1.00 34.61 C +ATOM 2077 HA TYR A 133 -1.062 20.431 -3.653 1.00 0.00 H +ATOM 2078 C TYR A 133 -1.535 21.944 -2.236 1.00 34.61 C +ATOM 2079 O TYR A 133 -1.014 22.957 -1.796 1.00 34.61 O +ATOM 2080 CB TYR A 133 -0.737 19.644 -1.687 1.00 14.31 C +ATOM 2081 HB1 TYR A 133 -0.126 19.911 -0.825 1.00 0.00 H +ATOM 2082 HB2 TYR A 133 -1.772 19.516 -1.371 1.00 0.00 H +ATOM 2083 CG TYR A 133 -0.243 18.345 -2.236 1.00 14.31 C +ATOM 2084 CD1 TYR A 133 1.106 18.073 -2.341 1.00 14.31 C +ATOM 2085 HD1 TYR A 133 1.831 18.790 -1.955 1.00 0.00 H +ATOM 2086 CD2 TYR A 133 -1.134 17.422 -2.715 1.00 14.31 C +ATOM 2087 HD2 TYR A 133 -2.203 17.615 -2.624 1.00 0.00 H +ATOM 2088 CE1 TYR A 133 1.549 16.909 -2.926 1.00 14.31 C +ATOM 2089 HE1 TYR A 133 2.616 16.702 -3.005 1.00 0.00 H +ATOM 2090 CE2 TYR A 133 -0.710 16.261 -3.306 1.00 14.31 C +ATOM 2091 HE2 TYR A 133 -1.436 15.545 -3.690 1.00 0.00 H +ATOM 2092 CZ TYR A 133 0.625 16.007 -3.411 1.00 14.31 C +ATOM 2093 OH TYR A 133 1.007 14.840 -4.028 1.00 14.31 O +ATOM 2094 HH TYR A 133 1.995 14.781 -4.037 1.00 0.00 H +ATOM 2095 N VAL A 134 -2.849 21.752 -2.268 1.00 19.88 N +ATOM 2096 H VAL A 134 -3.208 20.826 -2.576 1.00 0.00 H +ATOM 2097 CA VAL A 134 -3.814 22.783 -1.890 1.00 19.88 C +ATOM 2098 HA VAL A 134 -3.375 23.417 -1.120 1.00 0.00 H +ATOM 2099 C VAL A 134 -5.091 22.131 -1.346 1.00 19.88 C +ATOM 2100 O VAL A 134 -5.615 21.179 -1.938 1.00 19.88 O +ATOM 2101 CB VAL A 134 -4.171 23.631 -3.134 1.00 19.92 C +ATOM 2102 HB VAL A 134 -4.001 23.023 -4.023 1.00 0.00 H +ATOM 2103 CG1 VAL A 134 -5.633 24.033 -3.119 1.00 19.92 C +ATOM 2104 1HG1 VAL A 134 -6.255 23.138 -3.116 1.00 0.00 H +ATOM 2105 2HG1 VAL A 134 -5.838 24.622 -2.225 1.00 0.00 H +ATOM 2106 3HG1 VAL A 134 -5.854 24.628 -4.005 1.00 0.00 H +ATOM 2107 CG2 VAL A 134 -3.285 24.854 -3.201 1.00 19.92 C +ATOM 2108 1HG2 VAL A 134 -3.430 25.456 -2.304 1.00 0.00 H +ATOM 2109 2HG2 VAL A 134 -2.242 24.543 -3.267 1.00 0.00 H +ATOM 2110 3HG2 VAL A 134 -3.546 25.442 -4.081 1.00 0.00 H +ATOM 2111 N ARG A 135 -5.604 22.647 -0.236 1.00 49.79 N +ATOM 2112 H ARG A 135 -5.141 23.457 0.222 1.00 0.00 H +ATOM 2113 CA ARG A 135 -6.813 22.081 0.340 1.00 49.79 C +ATOM 2114 HA ARG A 135 -6.591 21.064 0.662 1.00 0.00 H +ATOM 2115 C ARG A 135 -7.925 22.020 -0.698 1.00 49.79 C +ATOM 2116 O ARG A 135 -8.202 23.010 -1.380 1.00 49.79 O +ATOM 2117 CB ARG A 135 -7.257 22.877 1.565 1.00 61.92 C +ATOM 2118 HB1 ARG A 135 -7.036 23.931 1.394 1.00 0.00 H +ATOM 2119 HB2 ARG A 135 -8.332 22.748 1.693 1.00 0.00 H +ATOM 2120 CG ARG A 135 -6.564 22.439 2.837 1.00 61.92 C +ATOM 2121 HG1 ARG A 135 -6.710 21.366 2.965 1.00 0.00 H +ATOM 2122 HG2 ARG A 135 -5.499 22.651 2.747 1.00 0.00 H +ATOM 2123 CD ARG A 135 -7.104 23.157 4.067 1.00 61.92 C +ATOM 2124 HD1 ARG A 135 -8.192 23.184 4.014 1.00 0.00 H +ATOM 2125 HD2 ARG A 135 -6.717 24.176 4.083 1.00 0.00 H +ATOM 2126 NE ARG A 135 -6.701 22.473 5.298 1.00 61.92 N +ATOM 2127 HE ARG A 135 -7.261 21.648 5.595 1.00 0.00 H +ATOM 2128 CZ ARG A 135 -5.673 22.827 6.065 1.00 61.92 C +ATOM 2129 NH1 ARG A 135 -4.916 23.871 5.753 1.00 61.92 N +ATOM 2130 1HH1 ARG A 135 -5.122 24.426 4.898 1.00 0.00 H +ATOM 2131 2HH1 ARG A 135 -4.116 24.134 6.363 1.00 0.00 H +ATOM 2132 NH2 ARG A 135 -5.389 22.114 7.143 1.00 61.92 N +ATOM 2133 1HH2 ARG A 135 -5.967 21.284 7.385 1.00 0.00 H +ATOM 2134 2HH2 ARG A 135 -4.587 22.383 7.748 1.00 0.00 H +ATOM 2135 N GLU A 136 -8.509 20.835 -0.859 1.00 81.57 N +ATOM 2136 H GLU A 136 -8.186 20.032 -0.282 1.00 0.00 H +ATOM 2137 CA GLU A 136 -9.587 20.626 -1.818 1.00 81.57 C +ATOM 2138 HA GLU A 136 -9.251 21.010 -2.781 1.00 0.00 H +ATOM 2139 C GLU A 136 -10.842 21.386 -1.419 1.00 81.57 C +ATOM 2140 O GLU A 136 -11.397 21.091 -0.340 1.00 81.57 O +ATOM 2141 CB GLU A 136 -9.900 19.137 -1.951 1.00 93.38 C +ATOM 2142 HB1 GLU A 136 -8.991 18.623 -2.263 1.00 0.00 H +ATOM 2143 HB2 GLU A 136 -10.210 18.764 -0.975 1.00 0.00 H +ATOM 2144 CG GLU A 136 -10.992 18.817 -2.949 1.00 93.38 C +ATOM 2145 HG1 GLU A 136 -11.904 19.334 -2.650 1.00 0.00 H +ATOM 2146 HG2 GLU A 136 -10.683 19.168 -3.933 1.00 0.00 H +ATOM 2147 CD GLU A 136 -11.275 17.332 -3.027 1.00 93.38 C +ATOM 2148 OE1 GLU A 136 -10.340 16.563 -3.356 1.00 93.38 O +ATOM 2149 OE2 GLU A 136 -12.429 16.933 -2.753 1.00 93.38 O +ATOM 2150 OXT GLU A 136 -11.245 22.280 -2.190 1.00 81.57 O +TER +ATOM 2151 N PRO B 1 -14.783 -20.960 -31.989 1.00159.43 N +ATOM 2152 HN1 PRO B 1 -15.113 -21.709 -32.630 1.00 0.00 H +ATOM 2153 HN2 PRO B 1 -15.092 -20.035 -32.350 1.00 0.00 H +ATOM 2154 CA PRO B 1 -15.343 -21.179 -30.637 1.00159.43 C +ATOM 2155 HA PRO B 1 -16.257 -21.773 -30.654 1.00 0.00 H +ATOM 2156 C PRO B 1 -15.630 -19.801 -30.046 1.00159.43 C +ATOM 2157 O PRO B 1 -15.659 -18.817 -30.785 1.00159.43 O +ATOM 2158 CB PRO B 1 -14.291 -21.905 -29.811 1.00 43.83 C +ATOM 2159 HB1 PRO B 1 -14.023 -21.328 -28.926 1.00 0.00 H +ATOM 2160 HB2 PRO B 1 -14.645 -22.890 -29.507 1.00 0.00 H +ATOM 2161 CG PRO B 1 -13.085 -22.022 -30.786 1.00 43.83 C +ATOM 2162 HG1 PRO B 1 -12.155 -21.806 -30.260 1.00 0.00 H +ATOM 2163 HG2 PRO B 1 -13.039 -23.027 -31.206 1.00 0.00 H +ATOM 2164 CD PRO B 1 -13.310 -20.993 -31.903 1.00 43.83 C +ATOM 2165 HD1 PRO B 1 -12.864 -21.322 -32.842 1.00 0.00 H +ATOM 2166 HD2 PRO B 1 -12.906 -20.018 -31.632 1.00 0.00 H +ATOM 2167 N ASN B 2 -15.812 -19.707 -28.730 1.00 65.35 N +ATOM 2168 H ASN B 2 -15.754 -20.555 -28.131 1.00 0.00 H +ATOM 2169 CA ASN B 2 -16.093 -18.405 -28.135 1.00 65.35 C +ATOM 2170 HA ASN B 2 -15.960 -17.730 -28.980 1.00 0.00 H +ATOM 2171 C ASN B 2 -15.117 -17.874 -27.087 1.00 65.35 C +ATOM 2172 O ASN B 2 -15.337 -18.028 -25.891 1.00 65.35 O +ATOM 2173 CB ASN B 2 -17.514 -18.352 -27.586 1.00 75.30 C +ATOM 2174 HB1 ASN B 2 -18.178 -18.869 -28.279 1.00 0.00 H +ATOM 2175 HB2 ASN B 2 -17.536 -18.855 -26.619 1.00 0.00 H +ATOM 2176 CG ASN B 2 -18.004 -16.933 -27.409 1.00 75.30 C +ATOM 2177 OD1 ASN B 2 -17.757 -16.072 -28.261 1.00 75.30 O +ATOM 2178 ND2 ASN B 2 -18.685 -16.672 -26.297 1.00 75.30 N +ATOM 2179 1HD2 ASN B 2 -19.035 -15.710 -26.115 1.00 0.00 H +ATOM 2180 2HD2 ASN B 2 -18.868 -17.430 -25.609 1.00 0.00 H +ATOM 2181 N PHE B 3 -14.049 -17.236 -27.557 1.00 32.67 N +ATOM 2182 H PHE B 3 -13.929 -17.152 -28.587 1.00 0.00 H +ATOM 2183 CA PHE B 3 -13.046 -16.653 -26.688 1.00 32.67 C +ATOM 2184 HA PHE B 3 -12.882 -17.334 -25.853 1.00 0.00 H +ATOM 2185 C PHE B 3 -13.531 -15.282 -26.240 1.00 32.67 C +ATOM 2186 O PHE B 3 -12.839 -14.592 -25.494 1.00 32.67 O +ATOM 2187 CB PHE B 3 -11.747 -16.414 -27.447 1.00 26.86 C +ATOM 2188 HB1 PHE B 3 -11.975 -15.814 -28.328 1.00 0.00 H +ATOM 2189 HB2 PHE B 3 -11.072 -15.858 -26.796 1.00 0.00 H +ATOM 2190 CG PHE B 3 -11.044 -17.649 -27.897 1.00 26.86 C +ATOM 2191 CD1 PHE B 3 -11.487 -18.358 -29.002 1.00 26.86 C +ATOM 2192 HD1 PHE B 3 -12.419 -18.068 -29.487 1.00 0.00 H +ATOM 2193 CD2 PHE B 3 -9.867 -18.039 -27.290 1.00 26.86 C +ATOM 2194 HD2 PHE B 3 -9.507 -17.498 -26.415 1.00 0.00 H +ATOM 2195 CE1 PHE B 3 -10.760 -19.434 -29.501 1.00 26.86 C +ATOM 2196 HE1 PHE B 3 -11.123 -19.978 -30.373 1.00 0.00 H +ATOM 2197 CE2 PHE B 3 -9.134 -19.115 -27.782 1.00 26.86 C +ATOM 2198 HE2 PHE B 3 -8.206 -19.410 -27.293 1.00 0.00 H +ATOM 2199 CZ PHE B 3 -9.584 -19.813 -28.896 1.00 26.86 C +ATOM 2200 HZ PHE B 3 -9.010 -20.653 -29.287 1.00 0.00 H +ATOM 2201 N ALA B 4 -14.687 -14.857 -26.730 1.00 30.03 N +ATOM 2202 H ALA B 4 -15.236 -15.475 -27.361 1.00 0.00 H +ATOM 2203 CA ALA B 4 -15.196 -13.534 -26.394 1.00 30.03 C +ATOM 2204 HA ALA B 4 -14.337 -12.867 -26.469 1.00 0.00 H +ATOM 2205 C ALA B 4 -15.696 -13.378 -24.967 1.00 30.03 C +ATOM 2206 O ALA B 4 -16.489 -14.195 -24.482 1.00 30.03 O +ATOM 2207 CB ALA B 4 -16.283 -13.127 -27.381 1.00 78.08 C +ATOM 2208 HB1 ALA B 4 -15.868 -13.107 -28.389 1.00 0.00 H +ATOM 2209 HB2 ALA B 4 -17.100 -13.848 -27.338 1.00 0.00 H +ATOM 2210 HB3 ALA B 4 -16.656 -12.137 -27.120 1.00 0.00 H +ATOM 2211 N GLY B 5 -15.240 -12.315 -24.310 1.00 58.55 N +ATOM 2212 H GLY B 5 -14.577 -11.670 -24.785 1.00 0.00 H +ATOM 2213 CA GLY B 5 -15.648 -12.036 -22.945 1.00 58.55 C +ATOM 2214 HA1 GLY B 5 -16.518 -11.379 -22.958 1.00 0.00 H +ATOM 2215 HA2 GLY B 5 -15.908 -12.972 -22.450 1.00 0.00 H +ATOM 2216 C GLY B 5 -14.529 -11.365 -22.184 1.00 58.55 C +ATOM 2217 O GLY B 5 -13.487 -11.068 -22.772 1.00 58.55 O +ATOM 2218 N THR B 6 -14.768 -11.059 -20.906 1.00 69.36 N +ATOM 2219 H THR B 6 -15.707 -11.267 -20.510 1.00 0.00 H +ATOM 2220 CA THR B 6 -13.760 -10.441 -20.038 1.00 69.36 C +ATOM 2221 HA THR B 6 -12.977 -9.998 -20.653 1.00 0.00 H +ATOM 2222 C THR B 6 -13.208 -11.536 -19.136 1.00 69.36 C +ATOM 2223 O THR B 6 -13.961 -12.241 -18.469 1.00 69.36 O +ATOM 2224 CB THR B 6 -14.342 -9.304 -19.191 1.00 58.02 C +ATOM 2225 HB THR B 6 -13.602 -9.009 -18.447 1.00 0.00 H +ATOM 2226 OG1 THR B 6 -15.536 -9.746 -18.532 1.00 58.02 O +ATOM 2227 HG1 THR B 6 -15.323 -10.514 -17.945 1.00 0.00 H +ATOM 2228 CG2 THR B 6 -14.671 -8.125 -20.069 1.00 58.02 C +ATOM 2229 1HG2 THR B 6 -15.412 -8.422 -20.811 1.00 0.00 H +ATOM 2230 2HG2 THR B 6 -15.072 -7.318 -19.456 1.00 0.00 H +ATOM 2231 3HG2 THR B 6 -13.766 -7.785 -20.573 1.00 0.00 H +ATOM 2232 N TRP B 7 -11.890 -11.685 -19.136 1.00 38.89 N +ATOM 2233 H TRP B 7 -11.308 -11.034 -19.701 1.00 0.00 H +ATOM 2234 CA TRP B 7 -11.237 -12.730 -18.371 1.00 38.89 C +ATOM 2235 HA TRP B 7 -12.029 -13.331 -17.924 1.00 0.00 H +ATOM 2236 C TRP B 7 -10.393 -12.217 -17.208 1.00 38.89 C +ATOM 2237 O TRP B 7 -9.944 -11.066 -17.210 1.00 38.89 O +ATOM 2238 CB TRP B 7 -10.360 -13.574 -19.318 1.00 37.95 C +ATOM 2239 HB1 TRP B 7 -9.542 -12.950 -19.678 1.00 0.00 H +ATOM 2240 HB2 TRP B 7 -9.953 -14.413 -18.754 1.00 0.00 H +ATOM 2241 CG TRP B 7 -11.110 -14.120 -20.516 1.00 37.95 C +ATOM 2242 CD1 TRP B 7 -11.485 -13.431 -21.637 1.00 37.95 C +ATOM 2243 HD1 TRP B 7 -11.265 -12.380 -21.825 1.00 0.00 H +ATOM 2244 CD2 TRP B 7 -11.598 -15.455 -20.693 1.00 37.95 C +ATOM 2245 NE1 TRP B 7 -12.176 -14.251 -22.489 1.00 37.95 N +ATOM 2246 HE1 TRP B 7 -12.575 -13.971 -23.408 1.00 0.00 H +ATOM 2247 CE2 TRP B 7 -12.256 -15.499 -21.933 1.00 37.95 C +ATOM 2248 CE3 TRP B 7 -11.539 -16.615 -19.923 1.00 37.95 C +ATOM 2249 HE3 TRP B 7 -11.036 -16.616 -18.956 1.00 0.00 H +ATOM 2250 CZ2 TRP B 7 -12.848 -16.654 -22.416 1.00 37.95 C +ATOM 2251 HZ2 TRP B 7 -13.355 -16.669 -23.381 1.00 0.00 H +ATOM 2252 CZ3 TRP B 7 -12.127 -17.757 -20.408 1.00 37.95 C +ATOM 2253 HZ3 TRP B 7 -12.087 -18.671 -19.816 1.00 0.00 H +ATOM 2254 CH2 TRP B 7 -12.772 -17.770 -21.640 1.00 37.95 C +ATOM 2255 HH2 TRP B 7 -13.227 -18.695 -21.993 1.00 0.00 H +ATOM 2256 N LYS B 8 -10.239 -13.069 -16.193 1.00 25.89 N +ATOM 2257 H LYS B 8 -10.725 -13.987 -16.243 1.00 0.00 H +ATOM 2258 CA LYS B 8 -9.423 -12.781 -15.014 1.00 25.89 C +ATOM 2259 HA LYS B 8 -8.791 -11.908 -15.175 1.00 0.00 H +ATOM 2260 C LYS B 8 -8.586 -14.030 -14.773 1.00 25.89 C +ATOM 2261 O LYS B 8 -9.075 -15.153 -14.912 1.00 25.89 O +ATOM 2262 CB LYS B 8 -10.286 -12.436 -13.801 1.00 46.80 C +ATOM 2263 HB1 LYS B 8 -9.622 -12.276 -12.952 1.00 0.00 H +ATOM 2264 HB2 LYS B 8 -10.820 -11.512 -14.022 1.00 0.00 H +ATOM 2265 CG LYS B 8 -11.297 -13.471 -13.408 1.00 46.80 C +ATOM 2266 HG1 LYS B 8 -11.940 -13.696 -14.259 1.00 0.00 H +ATOM 2267 HG2 LYS B 8 -10.786 -14.380 -13.090 1.00 0.00 H +ATOM 2268 CD LYS B 8 -12.131 -12.936 -12.272 1.00 46.80 C +ATOM 2269 HD1 LYS B 8 -11.506 -12.863 -11.382 1.00 0.00 H +ATOM 2270 HD2 LYS B 8 -12.496 -11.945 -12.541 1.00 0.00 H +ATOM 2271 CE LYS B 8 -13.322 -13.828 -11.962 1.00 46.80 C +ATOM 2272 HE1 LYS B 8 -12.987 -14.672 -11.359 1.00 0.00 H +ATOM 2273 HE2 LYS B 8 -13.744 -14.196 -12.897 1.00 0.00 H +ATOM 2274 NZ LYS B 8 -14.378 -13.079 -11.211 1.00 46.80 N +ATOM 2275 HZ1 LYS B 8 -13.982 -12.729 -10.315 1.00 0.00 H +ATOM 2276 HZ2 LYS B 8 -14.705 -12.275 -11.784 1.00 0.00 H +ATOM 2277 HZ3 LYS B 8 -15.178 -13.714 -11.014 1.00 0.00 H +ATOM 2278 N MET B 9 -7.310 -13.835 -14.466 1.00 33.52 N +ATOM 2279 H MET B 9 -6.951 -12.865 -14.360 1.00 0.00 H +ATOM 2280 CA MET B 9 -6.406 -14.960 -14.275 1.00 33.52 C +ATOM 2281 HA MET B 9 -6.617 -15.633 -15.106 1.00 0.00 H +ATOM 2282 C MET B 9 -6.651 -15.825 -13.041 1.00 33.52 C +ATOM 2283 O MET B 9 -7.062 -15.333 -11.995 1.00 33.52 O +ATOM 2284 CB MET B 9 -4.972 -14.475 -14.315 1.00 20.15 C +ATOM 2285 HB1 MET B 9 -4.868 -13.760 -15.131 1.00 0.00 H +ATOM 2286 HB2 MET B 9 -4.744 -13.981 -13.370 1.00 0.00 H +ATOM 2287 CG MET B 9 -3.998 -15.580 -14.522 1.00 20.15 C +ATOM 2288 HG1 MET B 9 -4.297 -16.177 -15.384 1.00 0.00 H +ATOM 2289 HG2 MET B 9 -3.968 -16.214 -13.636 1.00 0.00 H +ATOM 2290 SD MET B 9 -2.393 -14.874 -14.809 1.00 20.15 S +ATOM 2291 CE MET B 9 -2.190 -13.920 -13.348 1.00 20.15 C +ATOM 2292 HE1 MET B 9 -2.988 -13.181 -13.284 1.00 0.00 H +ATOM 2293 HE2 MET B 9 -2.231 -14.576 -12.479 1.00 0.00 H +ATOM 2294 HE3 MET B 9 -1.225 -13.413 -13.378 1.00 0.00 H +ATOM 2295 N ARG B 10 -6.391 -17.118 -13.170 1.00 47.62 N +ATOM 2296 H ARG B 10 -6.025 -17.467 -14.079 1.00 0.00 H +ATOM 2297 CA ARG B 10 -6.599 -18.066 -12.087 1.00 47.62 C +ATOM 2298 HA ARG B 10 -7.150 -17.556 -11.297 1.00 0.00 H +ATOM 2299 C ARG B 10 -5.282 -18.537 -11.486 1.00 47.62 C +ATOM 2300 O ARG B 10 -5.141 -18.603 -10.269 1.00 47.62 O +ATOM 2301 CB ARG B 10 -7.420 -19.257 -12.586 1.00 56.71 C +ATOM 2302 HB1 ARG B 10 -8.395 -18.890 -12.907 1.00 0.00 H +ATOM 2303 HB2 ARG B 10 -6.901 -19.698 -13.437 1.00 0.00 H +ATOM 2304 CG ARG B 10 -7.638 -20.340 -11.548 1.00 56.71 C +ATOM 2305 HG1 ARG B 10 -6.717 -20.912 -11.441 1.00 0.00 H +ATOM 2306 HG2 ARG B 10 -7.884 -19.868 -10.597 1.00 0.00 H +ATOM 2307 CD ARG B 10 -8.770 -21.298 -11.929 1.00 56.71 C +ATOM 2308 HD1 ARG B 10 -9.647 -20.703 -12.186 1.00 0.00 H +ATOM 2309 HD2 ARG B 10 -8.996 -21.919 -11.062 1.00 0.00 H +ATOM 2310 NE ARG B 10 -8.470 -22.179 -13.056 1.00 56.71 N +ATOM 2311 HE ARG B 10 -9.112 -22.152 -13.873 1.00 0.00 H +ATOM 2312 CZ ARG B 10 -7.434 -23.013 -13.112 1.00 56.71 C +ATOM 2313 NH1 ARG B 10 -6.567 -23.083 -12.108 1.00 56.71 N +ATOM 2314 1HH1 ARG B 10 -6.694 -22.483 -11.268 1.00 0.00 H +ATOM 2315 2HH1 ARG B 10 -5.761 -23.738 -12.162 1.00 0.00 H +ATOM 2316 NH2 ARG B 10 -7.302 -23.832 -14.144 1.00 56.71 N +ATOM 2317 1HH2 ARG B 10 -8.007 -23.823 -14.909 1.00 0.00 H +ATOM 2318 2HH2 ARG B 10 -6.493 -24.484 -14.190 1.00 0.00 H +ATOM 2319 N SER B 11 -4.327 -18.882 -12.339 1.00 19.67 N +ATOM 2320 H SER B 11 -4.515 -18.825 -13.360 1.00 0.00 H +ATOM 2321 CA SER B 11 -3.023 -19.339 -11.882 1.00 19.67 C +ATOM 2322 HA SER B 11 -2.790 -18.888 -10.918 1.00 0.00 H +ATOM 2323 C SER B 11 -2.006 -18.945 -12.933 1.00 19.67 C +ATOM 2324 O SER B 11 -2.378 -18.446 -13.989 1.00 19.67 O +ATOM 2325 CB SER B 11 -3.011 -20.854 -11.712 1.00 50.26 C +ATOM 2326 HB1 SER B 11 -3.924 -21.164 -11.205 1.00 0.00 H +ATOM 2327 HB2 SER B 11 -2.148 -21.140 -11.111 1.00 0.00 H +ATOM 2328 OG SER B 11 -2.936 -21.498 -12.968 1.00 50.26 O +ATOM 2329 HG SER B 11 -2.106 -21.221 -13.430 1.00 0.00 H +ATOM 2330 N SER B 12 -0.731 -19.173 -12.661 1.00 20.67 N +ATOM 2331 H SER B 12 -0.473 -19.604 -11.750 1.00 0.00 H +ATOM 2332 CA SER B 12 0.309 -18.835 -13.604 1.00 20.67 C +ATOM 2333 HA SER B 12 -0.009 -19.127 -14.605 1.00 0.00 H +ATOM 2334 C SER B 12 1.579 -19.559 -13.221 1.00 20.67 C +ATOM 2335 O SER B 12 2.035 -19.424 -12.106 1.00 20.67 O +ATOM 2336 CB SER B 12 0.573 -17.350 -13.569 1.00 17.29 C +ATOM 2337 HB1 SER B 12 0.582 -17.005 -12.535 1.00 0.00 H +ATOM 2338 HB2 SER B 12 -0.210 -16.827 -14.119 1.00 0.00 H +ATOM 2339 OG SER B 12 1.829 -17.087 -14.167 1.00 17.29 O +ATOM 2340 HG SER B 12 2.538 -17.563 -13.666 1.00 0.00 H +ATOM 2341 N GLU B 13 2.166 -20.307 -14.147 1.00 25.82 N +ATOM 2342 H GLU B 13 1.747 -20.365 -15.097 1.00 0.00 H +ATOM 2343 CA GLU B 13 3.380 -21.044 -13.859 1.00 25.82 C +ATOM 2344 HA GLU B 13 3.693 -20.898 -12.825 1.00 0.00 H +ATOM 2345 C GLU B 13 4.437 -20.539 -14.817 1.00 25.82 C +ATOM 2346 O GLU B 13 4.130 -20.315 -15.991 1.00 25.82 O +ATOM 2347 CB GLU B 13 3.145 -22.544 -14.065 1.00173.99 C +ATOM 2348 HB1 GLU B 13 2.284 -22.838 -13.465 1.00 0.00 H +ATOM 2349 HB2 GLU B 13 2.925 -22.712 -15.119 1.00 0.00 H +ATOM 2350 CG GLU B 13 4.323 -23.435 -13.677 1.00173.99 C +ATOM 2351 HG1 GLU B 13 5.217 -23.069 -14.182 1.00 0.00 H +ATOM 2352 HG2 GLU B 13 4.465 -23.374 -12.598 1.00 0.00 H +ATOM 2353 CD GLU B 13 4.113 -24.893 -14.057 1.00173.99 C +ATOM 2354 OE1 GLU B 13 4.003 -25.186 -15.269 1.00173.99 O +ATOM 2355 OE2 GLU B 13 4.066 -25.748 -13.147 1.00173.99 O +ATOM 2356 N ASN B 14 5.628 -20.246 -14.283 1.00 45.79 N +ATOM 2357 H ASN B 14 5.732 -20.354 -13.254 1.00 0.00 H +ATOM 2358 CA ASN B 14 6.803 -19.782 -15.039 1.00 45.79 C +ATOM 2359 HA ASN B 14 7.457 -19.570 -14.193 1.00 0.00 H +ATOM 2360 C ASN B 14 6.875 -18.424 -15.764 1.00 45.79 C +ATOM 2361 O ASN B 14 7.513 -18.327 -16.823 1.00 45.79 O +ATOM 2362 CB ASN B 14 7.250 -20.871 -16.008 1.00 60.32 C +ATOM 2363 HB1 ASN B 14 6.370 -21.408 -16.361 1.00 0.00 H +ATOM 2364 HB2 ASN B 14 7.752 -20.402 -16.854 1.00 0.00 H +ATOM 2365 CG ASN B 14 8.186 -21.847 -15.376 1.00 60.32 C +ATOM 2366 OD1 ASN B 14 8.228 -21.977 -14.156 1.00 60.32 O +ATOM 2367 ND2 ASN B 14 8.964 -22.540 -16.201 1.00 60.32 N +ATOM 2368 1HD2 ASN B 14 9.645 -23.227 -15.819 1.00 0.00 H +ATOM 2369 2HD2 ASN B 14 8.892 -22.395 -17.228 1.00 0.00 H +ATOM 2370 N PHE B 15 6.315 -17.358 -15.191 1.00 41.15 N +ATOM 2371 H PHE B 15 5.829 -17.445 -14.276 1.00 0.00 H +ATOM 2372 CA PHE B 15 6.395 -16.065 -15.868 1.00 41.15 C +ATOM 2373 HA PHE B 15 6.258 -16.249 -16.934 1.00 0.00 H +ATOM 2374 C PHE B 15 7.756 -15.426 -15.642 1.00 41.15 C +ATOM 2375 O PHE B 15 8.348 -14.869 -16.566 1.00 41.15 O +ATOM 2376 CB PHE B 15 5.293 -15.118 -15.410 1.00 27.14 C +ATOM 2377 HB1 PHE B 15 4.344 -15.654 -15.440 1.00 0.00 H +ATOM 2378 HB2 PHE B 15 5.505 -14.814 -14.385 1.00 0.00 H +ATOM 2379 CG PHE B 15 5.167 -13.875 -16.261 1.00 27.14 C +ATOM 2380 CD1 PHE B 15 4.861 -13.965 -17.610 1.00 27.14 C +ATOM 2381 HD1 PHE B 15 4.717 -14.945 -18.065 1.00 0.00 H +ATOM 2382 CD2 PHE B 15 5.344 -12.619 -15.717 1.00 27.14 C +ATOM 2383 HD2 PHE B 15 5.586 -12.519 -14.659 1.00 0.00 H +ATOM 2384 CE1 PHE B 15 4.736 -12.829 -18.385 1.00 27.14 C +ATOM 2385 HE1 PHE B 15 4.494 -12.916 -19.444 1.00 0.00 H +ATOM 2386 CE2 PHE B 15 5.218 -11.490 -16.496 1.00 27.14 C +ATOM 2387 HE2 PHE B 15 5.360 -10.505 -16.051 1.00 0.00 H +ATOM 2388 CZ PHE B 15 4.915 -11.599 -17.827 1.00 27.14 C +ATOM 2389 HZ PHE B 15 4.817 -10.703 -18.439 1.00 0.00 H +ATOM 2390 N ASP B 16 8.258 -15.535 -14.414 1.00 24.53 N +ATOM 2391 H ASP B 16 7.712 -16.039 -13.686 1.00 0.00 H +ATOM 2392 CA ASP B 16 9.555 -14.966 -14.063 1.00 24.53 C +ATOM 2393 HA ASP B 16 9.583 -13.911 -14.334 1.00 0.00 H +ATOM 2394 C ASP B 16 10.632 -15.720 -14.818 1.00 24.53 C +ATOM 2395 O ASP B 16 11.574 -15.131 -15.326 1.00 24.53 O +ATOM 2396 CB ASP B 16 9.789 -15.079 -12.555 1.00 63.07 C +ATOM 2397 HB1 ASP B 16 8.925 -14.662 -12.037 1.00 0.00 H +ATOM 2398 HB2 ASP B 16 9.892 -16.133 -12.297 1.00 0.00 H +ATOM 2399 CG ASP B 16 11.039 -14.340 -12.090 1.00 63.07 C +ATOM 2400 OD1 ASP B 16 10.946 -13.131 -11.790 1.00 63.07 O +ATOM 2401 OD2 ASP B 16 12.113 -14.973 -12.000 1.00 63.07 O +ATOM 2402 N GLU B 17 10.485 -17.034 -14.893 1.00 22.95 N +ATOM 2403 H GLU B 17 9.663 -17.486 -14.443 1.00 0.00 H +ATOM 2404 CA GLU B 17 11.460 -17.853 -15.598 1.00 22.95 C +ATOM 2405 HA GLU B 17 12.454 -17.647 -15.201 1.00 0.00 H +ATOM 2406 C GLU B 17 11.453 -17.504 -17.079 1.00 22.95 C +ATOM 2407 O GLU B 17 12.491 -17.574 -17.736 1.00 22.95 O +ATOM 2408 CB GLU B 17 11.169 -19.333 -15.380 1.00 57.04 C +ATOM 2409 HB1 GLU B 17 10.710 -19.456 -14.399 1.00 0.00 H +ATOM 2410 HB2 GLU B 17 10.474 -19.668 -16.150 1.00 0.00 H +ATOM 2411 CG GLU B 17 12.411 -20.196 -15.443 1.00 57.04 C +ATOM 2412 HG1 GLU B 17 12.135 -21.223 -15.205 1.00 0.00 H +ATOM 2413 HG2 GLU B 17 12.814 -20.155 -16.455 1.00 0.00 H +ATOM 2414 CD GLU B 17 13.490 -19.744 -14.471 1.00 57.04 C +ATOM 2415 OE1 GLU B 17 13.147 -19.164 -13.413 1.00 57.04 O +ATOM 2416 OE2 GLU B 17 14.683 -19.971 -14.769 1.00 57.04 O +ATOM 2417 N LEU B 18 10.276 -17.108 -17.579 1.00 26.04 N +ATOM 2418 H LEU B 18 9.451 -17.089 -16.946 1.00 0.00 H +ATOM 2419 CA LEU B 18 10.093 -16.700 -18.974 1.00 26.04 C +ATOM 2420 HA LEU B 18 10.480 -17.476 -19.634 1.00 0.00 H +ATOM 2421 C LEU B 18 10.836 -15.388 -19.192 1.00 26.04 C +ATOM 2422 O LEU B 18 11.724 -15.303 -20.035 1.00 26.04 O +ATOM 2423 CB LEU B 18 8.609 -16.493 -19.277 1.00 31.75 C +ATOM 2424 HB1 LEU B 18 8.111 -17.459 -19.190 1.00 0.00 H +ATOM 2425 HB2 LEU B 18 8.206 -15.809 -18.530 1.00 0.00 H +ATOM 2426 CG LEU B 18 8.289 -15.920 -20.663 1.00 31.75 C +ATOM 2427 HG LEU B 18 8.915 -15.043 -20.827 1.00 0.00 H +ATOM 2428 CD1 LEU B 18 8.579 -16.964 -21.713 1.00 31.75 C +ATOM 2429 1HD1 LEU B 18 9.632 -17.242 -21.666 1.00 0.00 H +ATOM 2430 2HD1 LEU B 18 7.962 -17.843 -21.529 1.00 0.00 H +ATOM 2431 3HD1 LEU B 18 8.352 -16.559 -22.699 1.00 0.00 H +ATOM 2432 CD2 LEU B 18 6.838 -15.483 -20.758 1.00 31.75 C +ATOM 2433 1HD2 LEU B 18 6.189 -16.340 -20.578 1.00 0.00 H +ATOM 2434 2HD2 LEU B 18 6.642 -14.714 -20.011 1.00 0.00 H +ATOM 2435 3HD2 LEU B 18 6.645 -15.082 -21.753 1.00 0.00 H +ATOM 2436 N LEU B 19 10.463 -14.364 -18.423 1.00 48.18 N +ATOM 2437 H LEU B 19 9.691 -14.506 -17.741 1.00 0.00 H +ATOM 2438 CA LEU B 19 11.099 -13.046 -18.502 1.00 48.18 C +ATOM 2439 HA LEU B 19 10.906 -12.650 -19.499 1.00 0.00 H +ATOM 2440 C LEU B 19 12.612 -13.145 -18.302 1.00 48.18 C +ATOM 2441 O LEU B 19 13.381 -12.465 -18.977 1.00 48.18 O +ATOM 2442 CB LEU B 19 10.506 -12.098 -17.456 1.00 15.63 C +ATOM 2443 HB1 LEU B 19 10.693 -12.531 -16.473 1.00 0.00 H +ATOM 2444 HB2 LEU B 19 11.030 -11.146 -17.538 1.00 0.00 H +ATOM 2445 CG LEU B 19 9.008 -11.814 -17.560 1.00 15.63 C +ATOM 2446 HG LEU B 19 8.459 -12.743 -17.406 1.00 0.00 H +ATOM 2447 CD1 LEU B 19 8.599 -10.814 -16.488 1.00 15.63 C +ATOM 2448 1HD1 LEU B 19 8.821 -11.227 -15.504 1.00 0.00 H +ATOM 2449 2HD1 LEU B 19 9.154 -9.886 -16.628 1.00 0.00 H +ATOM 2450 3HD1 LEU B 19 7.530 -10.615 -16.567 1.00 0.00 H +ATOM 2451 CD2 LEU B 19 8.664 -11.278 -18.946 1.00 15.63 C +ATOM 2452 1HD2 LEU B 19 9.214 -10.354 -19.124 1.00 0.00 H +ATOM 2453 2HD2 LEU B 19 8.939 -12.017 -19.699 1.00 0.00 H +ATOM 2454 3HD2 LEU B 19 7.593 -11.081 -19.003 1.00 0.00 H +ATOM 2455 N LYS B 20 13.026 -14.001 -17.373 1.00 49.46 N +ATOM 2456 H LYS B 20 12.318 -14.535 -16.830 1.00 0.00 H +ATOM 2457 CA LYS B 20 14.435 -14.214 -17.092 1.00 49.46 C +ATOM 2458 HA LYS B 20 14.906 -13.284 -16.773 1.00 0.00 H +ATOM 2459 C LYS B 20 15.090 -14.736 -18.371 1.00 49.46 C +ATOM 2460 O LYS B 20 16.175 -14.297 -18.743 1.00 49.46 O +ATOM 2461 CB LYS B 20 14.590 -15.240 -15.975 1.00 70.31 C +ATOM 2462 HB1 LYS B 20 14.038 -14.887 -15.104 1.00 0.00 H +ATOM 2463 HB2 LYS B 20 14.166 -16.185 -16.314 1.00 0.00 H +ATOM 2464 CG LYS B 20 16.016 -15.479 -15.568 1.00 70.31 C +ATOM 2465 HG1 LYS B 20 16.676 -15.066 -16.331 1.00 0.00 H +ATOM 2466 HG2 LYS B 20 16.202 -14.977 -14.618 1.00 0.00 H +ATOM 2467 CD LYS B 20 16.314 -16.967 -15.409 1.00 70.31 C +ATOM 2468 HD1 LYS B 20 17.340 -17.085 -15.060 1.00 0.00 H +ATOM 2469 HD2 LYS B 20 15.630 -17.386 -14.671 1.00 0.00 H +ATOM 2470 CE LYS B 20 16.149 -17.731 -16.728 1.00 70.31 C +ATOM 2471 HE1 LYS B 20 16.663 -17.179 -17.514 1.00 0.00 H +ATOM 2472 HE2 LYS B 20 15.086 -17.790 -16.963 1.00 0.00 H +ATOM 2473 NZ LYS B 20 16.705 -19.123 -16.682 1.00 70.31 N +ATOM 2474 HZ1 LYS B 20 17.722 -19.082 -16.469 1.00 0.00 H +ATOM 2475 HZ2 LYS B 20 16.216 -19.666 -15.942 1.00 0.00 H +ATOM 2476 HZ3 LYS B 20 16.561 -19.583 -17.604 1.00 0.00 H +ATOM 2477 N ALA B 21 14.403 -15.647 -19.059 1.00 69.54 N +ATOM 2478 H ALA B 21 13.476 -15.953 -18.700 1.00 0.00 H +ATOM 2479 CA ALA B 21 14.907 -16.231 -20.300 1.00 69.54 C +ATOM 2480 HA ALA B 21 15.937 -16.531 -20.108 1.00 0.00 H +ATOM 2481 C ALA B 21 14.938 -15.234 -21.453 1.00 69.54 C +ATOM 2482 O ALA B 21 15.700 -15.417 -22.405 1.00 69.54 O +ATOM 2483 CB ALA B 21 14.085 -17.448 -20.686 1.00 33.62 C +ATOM 2484 HB1 ALA B 21 14.146 -18.193 -19.893 1.00 0.00 H +ATOM 2485 HB2 ALA B 21 13.046 -17.152 -20.829 1.00 0.00 H +ATOM 2486 HB3 ALA B 21 14.475 -17.869 -21.612 1.00 0.00 H +ATOM 2487 N LEU B 22 14.094 -14.202 -21.382 1.00 68.65 N +ATOM 2488 H LEU B 22 13.453 -14.126 -20.567 1.00 0.00 H +ATOM 2489 CA LEU B 22 14.049 -13.177 -22.422 1.00 68.65 C +ATOM 2490 HA LEU B 22 14.285 -13.692 -23.353 1.00 0.00 H +ATOM 2491 C LEU B 22 15.082 -12.081 -22.215 1.00 68.65 C +ATOM 2492 O LEU B 22 15.175 -11.156 -23.024 1.00 68.65 O +ATOM 2493 CB LEU B 22 12.667 -12.548 -22.522 1.00 26.12 C +ATOM 2494 HB1 LEU B 22 12.368 -12.234 -21.522 1.00 0.00 H +ATOM 2495 HB2 LEU B 22 12.742 -11.674 -23.169 1.00 0.00 H +ATOM 2496 CG LEU B 22 11.571 -13.452 -23.078 1.00 26.12 C +ATOM 2497 HG LEU B 22 11.360 -14.253 -22.369 1.00 0.00 H +ATOM 2498 CD1 LEU B 22 10.312 -12.642 -23.290 1.00 26.12 C +ATOM 2499 1HD1 LEU B 22 9.989 -12.220 -22.339 1.00 0.00 H +ATOM 2500 2HD1 LEU B 22 10.514 -11.837 -23.996 1.00 0.00 H +ATOM 2501 3HD1 LEU B 22 9.529 -13.288 -23.687 1.00 0.00 H +ATOM 2502 CD2 LEU B 22 12.028 -14.067 -24.374 1.00 26.12 C +ATOM 2503 1HD2 LEU B 22 12.245 -13.277 -25.093 1.00 0.00 H +ATOM 2504 2HD2 LEU B 22 12.928 -14.656 -24.198 1.00 0.00 H +ATOM 2505 3HD2 LEU B 22 11.241 -14.711 -24.766 1.00 0.00 H +ATOM 2506 N GLY B 23 15.807 -12.154 -21.100 1.00 46.23 N +ATOM 2507 H GLY B 23 15.625 -12.920 -20.420 1.00 0.00 H +ATOM 2508 CA GLY B 23 16.848 -11.181 -20.819 1.00 46.23 C +ATOM 2509 HA1 GLY B 23 17.689 -11.730 -20.396 1.00 0.00 H +ATOM 2510 HA2 GLY B 23 17.143 -10.747 -21.774 1.00 0.00 H +ATOM 2511 C GLY B 23 16.557 -10.025 -19.879 1.00 46.23 C +ATOM 2512 O GLY B 23 17.464 -9.252 -19.580 1.00 46.23 O +ATOM 2513 N VAL B 24 15.319 -9.879 -19.420 1.00 36.70 N +ATOM 2514 H VAL B 24 14.579 -10.547 -19.716 1.00 0.00 H +ATOM 2515 CA VAL B 24 14.983 -8.787 -18.500 1.00 36.70 C +ATOM 2516 HA VAL B 24 15.210 -7.846 -19.000 1.00 0.00 H +ATOM 2517 C VAL B 24 15.806 -8.917 -17.208 1.00 36.70 C +ATOM 2518 O VAL B 24 16.099 -10.032 -16.762 1.00 36.70 O +ATOM 2519 CB VAL B 24 13.488 -8.824 -18.130 1.00 15.04 C +ATOM 2520 HB VAL B 24 13.313 -9.700 -17.506 1.00 0.00 H +ATOM 2521 CG1 VAL B 24 13.109 -7.590 -17.351 1.00 15.04 C +ATOM 2522 1HG1 VAL B 24 13.701 -7.543 -16.437 1.00 0.00 H +ATOM 2523 2HG1 VAL B 24 13.304 -6.705 -17.957 1.00 0.00 H +ATOM 2524 3HG1 VAL B 24 12.050 -7.633 -17.098 1.00 0.00 H +ATOM 2525 CG2 VAL B 24 12.631 -8.943 -19.371 1.00 15.04 C +ATOM 2526 1HG2 VAL B 24 12.812 -8.086 -20.020 1.00 0.00 H +ATOM 2527 2HG2 VAL B 24 12.886 -9.861 -19.900 1.00 0.00 H +ATOM 2528 3HG2 VAL B 24 11.580 -8.967 -19.084 1.00 0.00 H +ATOM 2529 N ASN B 25 16.217 -7.801 -16.617 1.00 52.75 N +ATOM 2530 H ASN B 25 15.993 -6.872 -17.028 1.00 0.00 H +ATOM 2531 CA ASN B 25 16.988 -7.899 -15.383 1.00 52.75 C +ATOM 2532 HA ASN B 25 17.525 -8.847 -15.418 1.00 0.00 H +ATOM 2533 C ASN B 25 16.086 -7.953 -14.142 1.00 52.75 C +ATOM 2534 O ASN B 25 14.926 -7.543 -14.198 1.00 52.75 O +ATOM 2535 CB ASN B 25 18.046 -6.795 -15.283 1.00 50.93 C +ATOM 2536 HB1 ASN B 25 18.666 -6.988 -14.408 1.00 0.00 H +ATOM 2537 HB2 ASN B 25 18.665 -6.826 -16.180 1.00 0.00 H +ATOM 2538 CG ASN B 25 17.456 -5.411 -15.156 1.00 50.93 C +ATOM 2539 OD1 ASN B 25 16.359 -5.219 -14.628 1.00 50.93 O +ATOM 2540 ND2 ASN B 25 18.209 -4.424 -15.613 1.00 50.93 N +ATOM 2541 1HD2 ASN B 25 17.881 -3.440 -15.534 1.00 0.00 H +ATOM 2542 2HD2 ASN B 25 19.129 -4.632 -16.052 1.00 0.00 H +ATOM 2543 N ALA B 26 16.629 -8.463 -13.035 1.00 31.39 N +ATOM 2544 H ALA B 26 17.624 -8.764 -13.067 1.00 0.00 H +ATOM 2545 CA ALA B 26 15.894 -8.621 -11.775 1.00 31.39 C +ATOM 2546 HA ALA B 26 15.107 -9.342 -11.998 1.00 0.00 H +ATOM 2547 C ALA B 26 15.161 -7.384 -11.280 1.00 31.39 C +ATOM 2548 O ALA B 26 14.121 -7.490 -10.631 1.00 31.39 O +ATOM 2549 CB ALA B 26 16.825 -9.142 -10.692 1.00112.76 C +ATOM 2550 HB1 ALA B 26 17.229 -10.108 -10.996 1.00 0.00 H +ATOM 2551 HB2 ALA B 26 17.641 -8.435 -10.545 1.00 0.00 H +ATOM 2552 HB3 ALA B 26 16.270 -9.256 -9.761 1.00 0.00 H +ATOM 2553 N MET B 27 15.714 -6.213 -11.571 1.00 50.64 N +ATOM 2554 H MET B 27 16.602 -6.186 -12.111 1.00 0.00 H +ATOM 2555 CA MET B 27 15.097 -4.970 -11.146 1.00 50.64 C +ATOM 2556 HA MET B 27 14.966 -4.972 -10.064 1.00 0.00 H +ATOM 2557 C MET B 27 13.726 -4.836 -11.814 1.00 50.64 C +ATOM 2558 O MET B 27 12.732 -4.541 -11.147 1.00 50.64 O +ATOM 2559 CB MET B 27 15.998 -3.790 -11.521 1.00183.79 C +ATOM 2560 HB1 MET B 27 16.929 -4.187 -11.925 1.00 0.00 H +ATOM 2561 HB2 MET B 27 15.491 -3.204 -12.288 1.00 0.00 H +ATOM 2562 CG MET B 27 16.338 -2.865 -10.362 1.00183.79 C +ATOM 2563 HG1 MET B 27 17.095 -2.155 -10.695 1.00 0.00 H +ATOM 2564 HG2 MET B 27 16.739 -3.465 -9.545 1.00 0.00 H +ATOM 2565 SD MET B 27 14.915 -1.941 -9.751 1.00183.79 S +ATOM 2566 CE MET B 27 15.073 -0.418 -10.684 1.00183.79 C +ATOM 2567 HE1 MET B 27 16.029 0.051 -10.453 1.00 0.00 H +ATOM 2568 HE2 MET B 27 15.024 -0.640 -11.750 1.00 0.00 H +ATOM 2569 HE3 MET B 27 14.261 0.258 -10.414 1.00 0.00 H +ATOM 2570 N LEU B 28 13.687 -5.116 -13.119 1.00 59.78 N +ATOM 2571 H LEU B 28 14.571 -5.410 -13.581 1.00 0.00 H +ATOM 2572 CA LEU B 28 12.473 -5.035 -13.944 1.00 59.78 C +ATOM 2573 HA LEU B 28 11.943 -4.154 -13.582 1.00 0.00 H +ATOM 2574 C LEU B 28 11.497 -6.197 -13.791 1.00 59.78 C +ATOM 2575 O LEU B 28 10.284 -5.992 -13.803 1.00 59.78 O +ATOM 2576 CB LEU B 28 12.861 -4.907 -15.407 1.00 26.46 C +ATOM 2577 HB1 LEU B 28 13.504 -5.749 -15.663 1.00 0.00 H +ATOM 2578 HB2 LEU B 28 11.951 -4.952 -16.005 1.00 0.00 H +ATOM 2579 CG LEU B 28 13.597 -3.623 -15.757 1.00 26.46 C +ATOM 2580 HG LEU B 28 14.262 -3.337 -14.942 1.00 0.00 H +ATOM 2581 CD1 LEU B 28 14.441 -3.844 -16.988 1.00 26.46 C +ATOM 2582 1HD1 LEU B 28 15.164 -4.636 -16.794 1.00 0.00 H +ATOM 2583 2HD1 LEU B 28 13.799 -4.133 -17.820 1.00 0.00 H +ATOM 2584 3HD1 LEU B 28 14.967 -2.922 -17.236 1.00 0.00 H +ATOM 2585 CD2 LEU B 28 12.590 -2.498 -15.959 1.00 26.46 C +ATOM 2586 1HD2 LEU B 28 11.911 -2.761 -16.771 1.00 0.00 H +ATOM 2587 2HD2 LEU B 28 12.021 -2.352 -15.041 1.00 0.00 H +ATOM 2588 3HD2 LEU B 28 13.119 -1.579 -16.210 1.00 0.00 H +ATOM 2589 N ARG B 29 12.025 -7.415 -13.703 1.00 29.70 N +ATOM 2590 H ARG B 29 13.058 -7.524 -13.756 1.00 0.00 H +ATOM 2591 CA ARG B 29 11.192 -8.602 -13.534 1.00 29.70 C +ATOM 2592 HA ARG B 29 10.546 -8.655 -14.410 1.00 0.00 H +ATOM 2593 C ARG B 29 10.328 -8.509 -12.288 1.00 29.70 C +ATOM 2594 O ARG B 29 9.213 -9.016 -12.276 1.00 29.70 O +ATOM 2595 CB ARG B 29 12.044 -9.867 -13.450 1.00 57.54 C +ATOM 2596 HB1 ARG B 29 12.772 -9.741 -12.648 1.00 0.00 H +ATOM 2597 HB2 ARG B 29 11.391 -10.709 -13.218 1.00 0.00 H +ATOM 2598 CG ARG B 29 12.780 -10.172 -14.715 1.00 57.54 C +ATOM 2599 HG1 ARG B 29 12.137 -9.941 -15.564 1.00 0.00 H +ATOM 2600 HG2 ARG B 29 13.677 -9.554 -14.762 1.00 0.00 H +ATOM 2601 CD ARG B 29 13.178 -11.618 -14.782 1.00 57.54 C +ATOM 2602 HD1 ARG B 29 13.235 -11.913 -15.830 1.00 0.00 H +ATOM 2603 HD2 ARG B 29 12.413 -12.211 -14.280 1.00 0.00 H +ATOM 2604 NE ARG B 29 14.465 -11.894 -14.152 1.00 57.54 N +ATOM 2605 HE ARG B 29 15.325 -11.729 -14.713 1.00 0.00 H +ATOM 2606 CZ ARG B 29 14.613 -12.342 -12.908 1.00 57.54 C +ATOM 2607 NH1 ARG B 29 13.553 -12.558 -12.137 1.00 57.54 N +ATOM 2608 1HH1 ARG B 29 12.597 -12.377 -12.504 1.00 0.00 H +ATOM 2609 2HH1 ARG B 29 13.679 -12.908 -11.166 1.00 0.00 H +ATOM 2610 NH2 ARG B 29 15.828 -12.625 -12.446 1.00 57.54 N +ATOM 2611 1HH2 ARG B 29 16.660 -12.496 -13.057 1.00 0.00 H +ATOM 2612 2HH2 ARG B 29 15.946 -12.975 -11.474 1.00 0.00 H +ATOM 2613 N LYS B 30 10.847 -7.867 -11.239 1.00 28.65 N +ATOM 2614 H LYS B 30 11.802 -7.462 -11.314 1.00 0.00 H +ATOM 2615 CA LYS B 30 10.108 -7.720 -9.991 1.00 28.65 C +ATOM 2616 HA LYS B 30 9.775 -8.706 -9.668 1.00 0.00 H +ATOM 2617 C LYS B 30 8.908 -6.819 -10.223 1.00 28.65 C +ATOM 2618 O LYS B 30 7.870 -6.992 -9.585 1.00 28.65 O +ATOM 2619 CB LYS B 30 10.994 -7.139 -8.882 1.00111.84 C +ATOM 2620 HB1 LYS B 30 10.598 -7.466 -7.921 1.00 0.00 H +ATOM 2621 HB2 LYS B 30 12.003 -7.530 -9.010 1.00 0.00 H +ATOM 2622 CG LYS B 30 11.067 -5.625 -8.877 1.00111.84 C +ATOM 2623 HG1 LYS B 30 11.800 -5.304 -9.617 1.00 0.00 H +ATOM 2624 HG2 LYS B 30 10.088 -5.223 -9.139 1.00 0.00 H +ATOM 2625 CD LYS B 30 11.472 -5.089 -7.517 1.00111.84 C +ATOM 2626 HD1 LYS B 30 11.052 -5.731 -6.743 1.00 0.00 H +ATOM 2627 HD2 LYS B 30 12.559 -5.095 -7.442 1.00 0.00 H +ATOM 2628 CE LYS B 30 10.966 -3.661 -7.310 1.00111.84 C +ATOM 2629 HE1 LYS B 30 11.349 -3.035 -8.116 1.00 0.00 H +ATOM 2630 HE2 LYS B 30 11.341 -3.293 -6.355 1.00 0.00 H +ATOM 2631 NZ LYS B 30 9.467 -3.574 -7.304 1.00111.84 N +ATOM 2632 HZ1 LYS B 30 9.098 -3.915 -8.214 1.00 0.00 H +ATOM 2633 HZ2 LYS B 30 9.090 -4.162 -6.533 1.00 0.00 H +ATOM 2634 HZ3 LYS B 30 9.179 -2.585 -7.160 1.00 0.00 H +ATOM 2635 N VAL B 31 9.049 -5.880 -11.160 1.00 29.20 N +ATOM 2636 H VAL B 31 9.949 -5.818 -11.678 1.00 0.00 H +ATOM 2637 CA VAL B 31 7.979 -4.934 -11.484 1.00 29.20 C +ATOM 2638 HA VAL B 31 7.582 -4.575 -10.535 1.00 0.00 H +ATOM 2639 C VAL B 31 6.967 -5.640 -12.346 1.00 29.20 C +ATOM 2640 O VAL B 31 5.763 -5.610 -12.072 1.00 29.20 O +ATOM 2641 CB VAL B 31 8.471 -3.732 -12.331 1.00 22.90 C +ATOM 2642 HB VAL B 31 8.466 -4.027 -13.380 1.00 0.00 H +ATOM 2643 CG1 VAL B 31 7.530 -2.553 -12.158 1.00 22.90 C +ATOM 2644 1HG1 VAL B 31 6.530 -2.837 -12.485 1.00 0.00 H +ATOM 2645 2HG1 VAL B 31 7.501 -2.264 -11.107 1.00 0.00 H +ATOM 2646 3HG1 VAL B 31 7.886 -1.715 -12.757 1.00 0.00 H +ATOM 2647 CG2 VAL B 31 9.888 -3.357 -11.985 1.00 22.90 C +ATOM 2648 1HG2 VAL B 31 9.943 -3.083 -10.931 1.00 0.00 H +ATOM 2649 2HG2 VAL B 31 10.544 -4.206 -12.176 1.00 0.00 H +ATOM 2650 3HG2 VAL B 31 10.199 -2.511 -12.598 1.00 0.00 H +ATOM 2651 N ALA B 32 7.491 -6.253 -13.409 1.00 28.24 N +ATOM 2652 H ALA B 32 8.521 -6.211 -13.543 1.00 0.00 H +ATOM 2653 CA ALA B 32 6.697 -6.978 -14.392 1.00 28.24 C +ATOM 2654 HA ALA B 32 6.067 -6.265 -14.924 1.00 0.00 H +ATOM 2655 C ALA B 32 5.784 -7.991 -13.715 1.00 28.24 C +ATOM 2656 O ALA B 32 4.570 -7.828 -13.696 1.00 28.24 O +ATOM 2657 CB ALA B 32 7.619 -7.671 -15.394 1.00 19.77 C +ATOM 2658 HB1 ALA B 32 8.228 -6.924 -15.903 1.00 0.00 H +ATOM 2659 HB2 ALA B 32 8.266 -8.371 -14.866 1.00 0.00 H +ATOM 2660 HB3 ALA B 32 7.018 -8.211 -16.126 1.00 0.00 H +ATOM 2661 N VAL B 33 6.390 -9.015 -13.132 1.00 19.04 N +ATOM 2662 H VAL B 33 7.428 -9.071 -13.173 1.00 0.00 H +ATOM 2663 CA VAL B 33 5.665 -10.058 -12.441 1.00 19.04 C +ATOM 2664 HA VAL B 33 5.149 -10.650 -13.197 1.00 0.00 H +ATOM 2665 C VAL B 33 4.610 -9.500 -11.490 1.00 19.04 C +ATOM 2666 O VAL B 33 3.452 -9.875 -11.569 1.00 19.04 O +ATOM 2667 CB VAL B 33 6.642 -10.930 -11.657 1.00 19.29 C +ATOM 2668 HB VAL B 33 7.246 -10.296 -11.008 1.00 0.00 H +ATOM 2669 CG1 VAL B 33 5.887 -11.904 -10.792 1.00 19.29 C +ATOM 2670 1HG1 VAL B 33 5.257 -11.354 -10.093 1.00 0.00 H +ATOM 2671 2HG1 VAL B 33 5.265 -12.540 -11.421 1.00 0.00 H +ATOM 2672 3HG1 VAL B 33 6.595 -12.520 -10.238 1.00 0.00 H +ATOM 2673 CG2 VAL B 33 7.581 -11.661 -12.617 1.00 19.29 C +ATOM 2674 1HG2 VAL B 33 6.996 -12.292 -13.286 1.00 0.00 H +ATOM 2675 2HG2 VAL B 33 8.141 -10.931 -13.201 1.00 0.00 H +ATOM 2676 3HG2 VAL B 33 8.273 -12.280 -12.046 1.00 0.00 H +ATOM 2677 N ALA B 34 4.997 -8.581 -10.620 1.00 30.37 N +ATOM 2678 H ALA B 34 5.987 -8.264 -10.614 1.00 0.00 H +ATOM 2679 CA ALA B 34 4.052 -8.008 -9.670 1.00 30.37 C +ATOM 2680 HA ALA B 34 3.721 -8.818 -9.020 1.00 0.00 H +ATOM 2681 C ALA B 34 2.802 -7.438 -10.347 1.00 30.37 C +ATOM 2682 O ALA B 34 1.673 -7.721 -9.935 1.00 30.37 O +ATOM 2683 CB ALA B 34 4.730 -6.936 -8.854 1.00 20.54 C +ATOM 2684 HB1 ALA B 34 5.568 -7.371 -8.310 1.00 0.00 H +ATOM 2685 HB2 ALA B 34 5.094 -6.152 -9.518 1.00 0.00 H +ATOM 2686 HB3 ALA B 34 4.016 -6.513 -8.147 1.00 0.00 H +ATOM 2687 N ALA B 35 3.017 -6.640 -11.392 1.00 44.01 N +ATOM 2688 H ALA B 35 3.997 -6.458 -11.688 1.00 0.00 H +ATOM 2689 CA ALA B 35 1.927 -6.008 -12.142 1.00 44.01 C +ATOM 2690 HA ALA B 35 1.213 -5.593 -11.431 1.00 0.00 H +ATOM 2691 C ALA B 35 1.197 -7.023 -13.009 1.00 44.01 C +ATOM 2692 O ALA B 35 -0.017 -6.954 -13.204 1.00 44.01 O +ATOM 2693 CB ALA B 35 2.493 -4.903 -13.015 1.00 45.58 C +ATOM 2694 HB1 ALA B 35 2.983 -4.160 -12.386 1.00 0.00 H +ATOM 2695 HB2 ALA B 35 3.218 -5.326 -13.711 1.00 0.00 H +ATOM 2696 HB3 ALA B 35 1.684 -4.432 -13.573 1.00 0.00 H +ATOM 2697 N ALA B 36 1.975 -7.986 -13.484 1.00 25.68 N +ATOM 2698 H ALA B 36 2.980 -7.976 -13.215 1.00 0.00 H +ATOM 2699 CA ALA B 36 1.518 -9.049 -14.352 1.00 25.68 C +ATOM 2700 HA ALA B 36 0.808 -8.639 -15.070 1.00 0.00 H +ATOM 2701 C ALA B 36 0.809 -10.131 -13.561 1.00 25.68 C +ATOM 2702 O ALA B 36 0.618 -11.239 -14.065 1.00 25.68 O +ATOM 2703 CB ALA B 36 2.707 -9.636 -15.074 1.00 4.53 C +ATOM 2704 HB1 ALA B 36 3.191 -8.859 -15.665 1.00 0.00 H +ATOM 2705 HB2 ALA B 36 3.414 -10.033 -14.345 1.00 0.00 H +ATOM 2706 HB3 ALA B 36 2.372 -10.439 -15.731 1.00 0.00 H +ATOM 2707 N SER B 37 0.462 -9.817 -12.314 1.00 30.75 N +ATOM 2708 H SER B 37 0.685 -8.865 -11.959 1.00 0.00 H +ATOM 2709 CA SER B 37 -0.218 -10.752 -11.426 1.00 30.75 C +ATOM 2710 HA SER B 37 -0.068 -11.753 -11.831 1.00 0.00 H +ATOM 2711 C SER B 37 -1.704 -10.480 -11.366 1.00 30.75 C +ATOM 2712 O SER B 37 -2.481 -11.319 -10.904 1.00 30.75 O +ATOM 2713 CB SER B 37 0.369 -10.677 -10.024 1.00 51.61 C +ATOM 2714 HB1 SER B 37 -0.252 -11.256 -9.341 1.00 0.00 H +ATOM 2715 HB2 SER B 37 0.394 -9.637 -9.698 1.00 0.00 H +ATOM 2716 OG SER B 37 1.681 -11.200 -10.021 1.00 51.61 O +ATOM 2717 HG SER B 37 2.246 -10.673 -10.640 1.00 0.00 H +ATOM 2718 N LYS B 38 -2.093 -9.285 -11.792 1.00 43.37 N +ATOM 2719 H LYS B 38 -1.381 -8.603 -12.123 1.00 0.00 H +ATOM 2720 CA LYS B 38 -3.495 -8.913 -11.804 1.00 43.37 C +ATOM 2721 HA LYS B 38 -4.093 -9.814 -11.669 1.00 0.00 H +ATOM 2722 C LYS B 38 -3.868 -8.296 -13.147 1.00 43.37 C +ATOM 2723 O LYS B 38 -4.199 -7.105 -13.237 1.00 43.37 O +ATOM 2724 CB LYS B 38 -3.825 -7.971 -10.642 1.00131.28 C +ATOM 2725 HB1 LYS B 38 -3.054 -7.203 -10.586 1.00 0.00 H +ATOM 2726 HB2 LYS B 38 -4.789 -7.502 -10.837 1.00 0.00 H +ATOM 2727 CG LYS B 38 -3.895 -8.686 -9.304 1.00131.28 C +ATOM 2728 HG1 LYS B 38 -4.517 -9.574 -9.414 1.00 0.00 H +ATOM 2729 HG2 LYS B 38 -2.888 -8.984 -9.013 1.00 0.00 H +ATOM 2730 CD LYS B 38 -4.479 -7.816 -8.211 1.00131.28 C +ATOM 2731 HD1 LYS B 38 -3.746 -7.064 -7.919 1.00 0.00 H +ATOM 2732 HD2 LYS B 38 -5.376 -7.322 -8.584 1.00 0.00 H +ATOM 2733 CE LYS B 38 -4.838 -8.662 -7.005 1.00131.28 C +ATOM 2734 HE1 LYS B 38 -3.933 -9.132 -6.621 1.00 0.00 H +ATOM 2735 HE2 LYS B 38 -5.544 -9.434 -7.312 1.00 0.00 H +ATOM 2736 NZ LYS B 38 -5.453 -7.850 -5.926 1.00131.28 N +ATOM 2737 HZ1 LYS B 38 -4.783 -7.115 -5.622 1.00 0.00 H +ATOM 2738 HZ2 LYS B 38 -6.322 -7.403 -6.282 1.00 0.00 H +ATOM 2739 HZ3 LYS B 38 -5.684 -8.465 -5.120 1.00 0.00 H +ATOM 2740 N PRO B 39 -3.771 -9.095 -14.223 1.00 27.60 N +ATOM 2741 CA PRO B 39 -4.123 -8.560 -15.533 1.00 27.60 C +ATOM 2742 HA PRO B 39 -3.886 -7.503 -15.656 1.00 0.00 H +ATOM 2743 C PRO B 39 -5.614 -8.690 -15.771 1.00 27.60 C +ATOM 2744 O PRO B 39 -6.269 -9.572 -15.215 1.00 27.60 O +ATOM 2745 CB PRO B 39 -3.356 -9.471 -16.472 1.00 16.00 C +ATOM 2746 HB1 PRO B 39 -3.817 -9.498 -17.459 1.00 0.00 H +ATOM 2747 HB2 PRO B 39 -2.317 -9.155 -16.566 1.00 0.00 H +ATOM 2748 CG PRO B 39 -3.458 -10.793 -15.793 1.00 16.00 C +ATOM 2749 HG1 PRO B 39 -4.449 -11.227 -15.926 1.00 0.00 H +ATOM 2750 HG2 PRO B 39 -2.706 -11.486 -16.169 1.00 0.00 H +ATOM 2751 CD PRO B 39 -3.205 -10.450 -14.346 1.00 16.00 C +ATOM 2752 HD1 PRO B 39 -2.138 -10.451 -14.124 1.00 0.00 H +ATOM 2753 HD2 PRO B 39 -3.714 -11.149 -13.682 1.00 0.00 H +ATOM 2754 N HIS B 40 -6.162 -7.737 -16.514 1.00 34.56 N +ATOM 2755 H HIS B 40 -5.572 -6.946 -16.842 1.00 0.00 H +ATOM 2756 CA HIS B 40 -7.562 -7.773 -16.878 1.00 34.56 C +ATOM 2757 HA HIS B 40 -8.127 -8.525 -16.327 1.00 0.00 H +ATOM 2758 C HIS B 40 -7.478 -7.993 -18.373 1.00 34.56 C +ATOM 2759 O HIS B 40 -6.623 -7.417 -19.037 1.00 34.56 O +ATOM 2760 CB HIS B 40 -8.267 -6.455 -16.588 1.00 66.38 C +ATOM 2761 HB1 HIS B 40 -7.944 -6.097 -15.610 1.00 0.00 H +ATOM 2762 HB2 HIS B 40 -7.978 -5.733 -17.351 1.00 0.00 H +ATOM 2763 CG HIS B 40 -9.757 -6.570 -16.583 1.00 66.38 C +ATOM 2764 ND1 HIS B 40 -10.584 -5.640 -17.174 1.00 66.38 N +ATOM 2765 CD2 HIS B 40 -10.575 -7.512 -16.045 1.00 66.38 C +ATOM 2766 HD2 HIS B 40 -10.265 -8.403 -15.499 1.00 0.00 H +ATOM 2767 CE1 HIS B 40 -11.846 -5.998 -17.002 1.00 66.38 C +ATOM 2768 HE1 HIS B 40 -12.719 -5.453 -17.361 1.00 0.00 H +ATOM 2769 NE2 HIS B 40 -11.867 -7.131 -16.319 1.00 66.38 N +ATOM 2770 N VAL B 41 -8.343 -8.844 -18.898 1.00 18.19 N +ATOM 2771 H VAL B 41 -9.045 -9.302 -18.282 1.00 0.00 H +ATOM 2772 CA VAL B 41 -8.333 -9.152 -20.314 1.00 18.19 C +ATOM 2773 HA VAL B 41 -7.714 -8.401 -20.804 1.00 0.00 H +ATOM 2774 C VAL B 41 -9.731 -9.090 -20.907 1.00 18.19 C +ATOM 2775 O VAL B 41 -10.680 -9.625 -20.336 1.00 18.19 O +ATOM 2776 CB VAL B 41 -7.733 -10.561 -20.562 1.00 19.08 C +ATOM 2777 HB VAL B 41 -8.148 -11.236 -19.813 1.00 0.00 H +ATOM 2778 CG1 VAL B 41 -8.097 -11.063 -21.932 1.00 19.08 C +ATOM 2779 1HG1 VAL B 41 -9.182 -11.122 -22.020 1.00 0.00 H +ATOM 2780 2HG1 VAL B 41 -7.707 -10.377 -22.684 1.00 0.00 H +ATOM 2781 3HG1 VAL B 41 -7.665 -12.052 -22.082 1.00 0.00 H +ATOM 2782 CG2 VAL B 41 -6.217 -10.526 -20.428 1.00 19.08 C +ATOM 2783 1HG2 VAL B 41 -5.805 -9.831 -21.160 1.00 0.00 H +ATOM 2784 2HG2 VAL B 41 -5.950 -10.198 -19.423 1.00 0.00 H +ATOM 2785 3HG2 VAL B 41 -5.815 -11.523 -20.605 1.00 0.00 H +ATOM 2786 N GLU B 42 -9.860 -8.348 -22.005 1.00 55.03 N +ATOM 2787 H GLU B 42 -9.032 -7.829 -22.361 1.00 0.00 H +ATOM 2788 CA GLU B 42 -11.120 -8.238 -22.724 1.00 55.03 C +ATOM 2789 HA GLU B 42 -11.901 -8.794 -22.205 1.00 0.00 H +ATOM 2790 C GLU B 42 -10.843 -8.777 -24.125 1.00 55.03 C +ATOM 2791 O GLU B 42 -9.853 -8.412 -24.767 1.00 55.03 O +ATOM 2792 CB GLU B 42 -11.616 -6.794 -22.811 1.00101.35 C +ATOM 2793 HB1 GLU B 42 -11.483 -6.318 -21.839 1.00 0.00 H +ATOM 2794 HB2 GLU B 42 -11.024 -6.264 -23.558 1.00 0.00 H +ATOM 2795 CG GLU B 42 -13.095 -6.710 -23.203 1.00101.35 C +ATOM 2796 HG1 GLU B 42 -13.323 -7.551 -23.858 1.00 0.00 H +ATOM 2797 HG2 GLU B 42 -13.694 -6.785 -22.295 1.00 0.00 H +ATOM 2798 CD GLU B 42 -13.481 -5.427 -23.923 1.00101.35 C +ATOM 2799 OE1 GLU B 42 -12.837 -4.379 -23.701 1.00101.35 O +ATOM 2800 OE2 GLU B 42 -14.449 -5.474 -24.714 1.00101.35 O +ATOM 2801 N ILE B 43 -11.696 -9.681 -24.580 1.00 45.24 N +ATOM 2802 H ILE B 43 -12.498 -9.971 -23.985 1.00 0.00 H +ATOM 2803 CA ILE B 43 -11.534 -10.273 -25.889 1.00 45.24 C +ATOM 2804 HA ILE B 43 -10.722 -9.754 -26.399 1.00 0.00 H +ATOM 2805 C ILE B 43 -12.822 -10.129 -26.681 1.00 45.24 C +ATOM 2806 O ILE B 43 -13.901 -10.456 -26.174 1.00 45.24 O +ATOM 2807 CB ILE B 43 -11.175 -11.779 -25.775 1.00 33.36 C +ATOM 2808 HB ILE B 43 -11.814 -12.221 -25.010 1.00 0.00 H +ATOM 2809 CG1 ILE B 43 -9.714 -11.951 -25.356 1.00 33.36 C +ATOM 2810 1HG1 ILE B 43 -9.081 -11.471 -26.102 1.00 0.00 H +ATOM 2811 2HG1 ILE B 43 -9.570 -11.463 -24.392 1.00 0.00 H +ATOM 2812 CG2 ILE B 43 -11.435 -12.505 -27.098 1.00 33.36 C +ATOM 2813 1HG2 ILE B 43 -12.489 -12.415 -27.360 1.00 0.00 H +ATOM 2814 2HG2 ILE B 43 -10.825 -12.057 -27.883 1.00 0.00 H +ATOM 2815 3HG2 ILE B 43 -11.175 -13.558 -26.990 1.00 0.00 H +ATOM 2816 CD1 ILE B 43 -9.297 -13.397 -25.230 1.00 33.36 C +ATOM 2817 1HD1 ILE B 43 -9.915 -13.888 -24.479 1.00 0.00 H +ATOM 2818 2HD1 ILE B 43 -9.425 -13.896 -26.191 1.00 0.00 H +ATOM 2819 3HD1 ILE B 43 -8.250 -13.447 -24.930 1.00 0.00 H +ATOM 2820 N ARG B 44 -12.700 -9.575 -27.892 1.00 31.45 N +ATOM 2821 H ARG B 44 -11.760 -9.247 -28.191 1.00 0.00 H +ATOM 2822 CA ARG B 44 -13.822 -9.406 -28.819 1.00 31.45 C +ATOM 2823 HA ARG B 44 -14.787 -9.634 -28.365 1.00 0.00 H +ATOM 2824 C ARG B 44 -13.479 -10.339 -29.975 1.00 31.45 C +ATOM 2825 O ARG B 44 -12.331 -10.350 -30.431 1.00 31.45 O +ATOM 2826 CB ARG B 44 -13.908 -7.958 -29.299 1.00 69.29 C +ATOM 2827 HB1 ARG B 44 -12.976 -7.704 -29.805 1.00 0.00 H +ATOM 2828 HB2 ARG B 44 -14.736 -7.874 -30.003 1.00 0.00 H +ATOM 2829 CG ARG B 44 -14.131 -6.966 -28.170 1.00 69.29 C +ATOM 2830 HG1 ARG B 44 -14.434 -7.513 -27.277 1.00 0.00 H +ATOM 2831 HG2 ARG B 44 -13.195 -6.442 -27.974 1.00 0.00 H +ATOM 2832 CD ARG B 44 -15.203 -5.943 -28.503 1.00 69.29 C +ATOM 2833 HD1 ARG B 44 -15.549 -5.484 -27.577 1.00 0.00 H +ATOM 2834 HD2 ARG B 44 -16.036 -6.453 -28.988 1.00 0.00 H +ATOM 2835 NE ARG B 44 -14.712 -4.896 -29.391 1.00 69.29 N +ATOM 2836 HE ARG B 44 -14.903 -4.992 -30.409 1.00 0.00 H +ATOM 2837 CZ ARG B 44 -14.035 -3.825 -28.982 1.00 69.29 C +ATOM 2838 NH1 ARG B 44 -13.768 -3.657 -27.692 1.00 69.29 N +ATOM 2839 1HH1 ARG B 44 -14.088 -4.363 -26.999 1.00 0.00 H +ATOM 2840 2HH1 ARG B 44 -13.239 -2.819 -27.375 1.00 0.00 H +ATOM 2841 NH2 ARG B 44 -13.614 -2.926 -29.870 1.00 69.29 N +ATOM 2842 1HH2 ARG B 44 -13.814 -3.061 -30.882 1.00 0.00 H +ATOM 2843 2HH2 ARG B 44 -13.085 -2.089 -29.552 1.00 0.00 H +ATOM 2844 N GLN B 45 -14.436 -11.158 -30.407 1.00 49.04 N +ATOM 2845 H GLN B 45 -15.377 -11.127 -29.966 1.00 0.00 H +ATOM 2846 CA GLN B 45 -14.178 -12.104 -31.498 1.00 49.04 C +ATOM 2847 HA GLN B 45 -13.356 -11.632 -32.036 1.00 0.00 H +ATOM 2848 C GLN B 45 -15.304 -12.301 -32.503 1.00 49.04 C +ATOM 2849 O GLN B 45 -16.379 -12.792 -32.144 1.00 49.04 O +ATOM 2850 CB GLN B 45 -13.808 -13.487 -30.950 1.00 39.30 C +ATOM 2851 HB1 GLN B 45 -12.852 -13.413 -30.432 1.00 0.00 H +ATOM 2852 HB2 GLN B 45 -14.578 -13.801 -30.246 1.00 0.00 H +ATOM 2853 CG GLN B 45 -13.689 -14.545 -32.051 1.00 39.30 C +ATOM 2854 HG1 GLN B 45 -14.448 -14.343 -32.807 1.00 0.00 H +ATOM 2855 HG2 GLN B 45 -12.700 -14.464 -32.501 1.00 0.00 H +ATOM 2856 CD GLN B 45 -13.874 -15.960 -31.554 1.00 39.30 C +ATOM 2857 OE1 GLN B 45 -13.194 -16.882 -32.001 1.00 39.30 O +ATOM 2858 NE2 GLN B 45 -14.829 -16.150 -30.657 1.00 39.30 N +ATOM 2859 1HE2 GLN B 45 -15.028 -17.108 -30.304 1.00 0.00 H +ATOM 2860 2HE2 GLN B 45 -15.381 -15.341 -30.305 1.00 0.00 H +ATOM 2861 N ASP B 46 -15.016 -12.009 -33.773 1.00 83.25 N +ATOM 2862 H ASP B 46 -14.069 -11.644 -34.000 1.00 0.00 H +ATOM 2863 CA ASP B 46 -15.981 -12.183 -34.859 1.00 83.25 C +ATOM 2864 HA ASP B 46 -16.921 -12.536 -34.434 1.00 0.00 H +ATOM 2865 C ASP B 46 -15.452 -13.218 -35.850 1.00 83.25 C +ATOM 2866 O ASP B 46 -14.804 -12.882 -36.840 1.00 83.25 O +ATOM 2867 CB ASP B 46 -16.271 -10.847 -35.574 1.00 85.21 C +ATOM 2868 HB1 ASP B 46 -16.751 -10.172 -34.866 1.00 0.00 H +ATOM 2869 HB2 ASP B 46 -15.325 -10.416 -35.900 1.00 0.00 H +ATOM 2870 CG ASP B 46 -17.189 -11.002 -36.804 1.00 85.21 C +ATOM 2871 OD1 ASP B 46 -18.009 -11.949 -36.843 1.00 85.21 O +ATOM 2872 OD2 ASP B 46 -17.086 -10.164 -37.735 1.00 85.21 O +ATOM 2873 N GLY B 47 -15.710 -14.484 -35.556 1.00 27.31 N +ATOM 2874 H GLY B 47 -16.225 -14.712 -34.682 1.00 0.00 H +ATOM 2875 CA GLY B 47 -15.285 -15.555 -36.434 1.00 27.31 C +ATOM 2876 HA1 GLY B 47 -15.790 -16.467 -36.117 1.00 0.00 H +ATOM 2877 HA2 GLY B 47 -15.598 -15.301 -37.447 1.00 0.00 H +ATOM 2878 C GLY B 47 -13.807 -15.833 -36.465 1.00 27.31 C +ATOM 2879 O GLY B 47 -13.367 -16.854 -35.963 1.00 27.31 O +ATOM 2880 N ASP B 48 -13.053 -14.975 -37.131 1.00 29.93 N +ATOM 2881 H ASP B 48 -13.505 -14.166 -37.604 1.00 0.00 H +ATOM 2882 CA ASP B 48 -11.604 -15.130 -37.222 1.00 29.93 C +ATOM 2883 HA ASP B 48 -11.286 -15.889 -36.508 1.00 0.00 H +ATOM 2884 C ASP B 48 -10.956 -13.794 -36.913 1.00 29.93 C +ATOM 2885 O ASP B 48 -9.740 -13.677 -36.932 1.00 29.93 O +ATOM 2886 CB ASP B 48 -11.179 -15.590 -38.623 1.00 56.39 C +ATOM 2887 HB1 ASP B 48 -11.866 -15.161 -39.352 1.00 0.00 H +ATOM 2888 HB2 ASP B 48 -10.171 -15.225 -38.817 1.00 0.00 H +ATOM 2889 CG ASP B 48 -11.185 -17.106 -38.785 1.00 56.39 C +ATOM 2890 OD1 ASP B 48 -11.785 -17.828 -37.953 1.00 56.39 O +ATOM 2891 OD2 ASP B 48 -10.573 -17.583 -39.763 1.00 56.39 O +ATOM 2892 N GLN B 49 -11.782 -12.773 -36.707 1.00 35.39 N +ATOM 2893 H GLN B 49 -12.807 -12.934 -36.779 1.00 0.00 H +ATOM 2894 CA GLN B 49 -11.302 -11.440 -36.385 1.00 35.39 C +ATOM 2895 HA GLN B 49 -10.318 -11.230 -36.804 1.00 0.00 H +ATOM 2896 C GLN B 49 -11.302 -11.412 -34.872 1.00 35.39 C +ATOM 2897 O GLN B 49 -12.292 -11.780 -34.243 1.00 35.39 O +ATOM 2898 CB GLN B 49 -12.232 -10.365 -36.968 1.00 85.03 C +ATOM 2899 HB1 GLN B 49 -13.251 -10.580 -36.646 1.00 0.00 H +ATOM 2900 HB2 GLN B 49 -11.925 -9.395 -36.576 1.00 0.00 H +ATOM 2901 CG GLN B 49 -12.213 -10.295 -38.506 1.00 85.03 C +ATOM 2902 HG1 GLN B 49 -11.431 -9.600 -38.811 1.00 0.00 H +ATOM 2903 HG2 GLN B 49 -11.986 -11.288 -38.894 1.00 0.00 H +ATOM 2904 CD GLN B 49 -13.538 -9.829 -39.110 1.00 85.03 C +ATOM 2905 OE1 GLN B 49 -13.787 -8.629 -39.242 1.00 85.03 O +ATOM 2906 NE2 GLN B 49 -14.390 -10.784 -39.482 1.00 85.03 N +ATOM 2907 1HE2 GLN B 49 -15.306 -10.528 -39.902 1.00 0.00 H +ATOM 2908 2HE2 GLN B 49 -14.139 -11.785 -39.352 1.00 0.00 H +ATOM 2909 N PHE B 50 -10.156 -11.059 -34.302 1.00 38.42 N +ATOM 2910 H PHE B 50 -9.351 -10.811 -34.912 1.00 0.00 H +ATOM 2911 CA PHE B 50 -9.981 -11.005 -32.861 1.00 38.42 C +ATOM 2912 HA PHE B 50 -10.958 -11.184 -32.413 1.00 0.00 H +ATOM 2913 C PHE B 50 -9.435 -9.657 -32.436 1.00 38.42 C +ATOM 2914 O PHE B 50 -8.651 -9.037 -33.160 1.00 38.42 O +ATOM 2915 CB PHE B 50 -8.963 -12.059 -32.404 1.00 35.17 C +ATOM 2916 HB1 PHE B 50 -8.118 -12.036 -33.093 1.00 0.00 H +ATOM 2917 HB2 PHE B 50 -8.622 -11.791 -31.404 1.00 0.00 H +ATOM 2918 CG PHE B 50 -9.493 -13.471 -32.357 1.00 35.17 C +ATOM 2919 CD1 PHE B 50 -9.384 -14.308 -33.460 1.00 35.17 C +ATOM 2920 HD1 PHE B 50 -8.951 -13.927 -34.385 1.00 0.00 H +ATOM 2921 CD2 PHE B 50 -10.049 -13.977 -31.194 1.00 35.17 C +ATOM 2922 HD2 PHE B 50 -10.145 -13.335 -30.318 1.00 0.00 H +ATOM 2923 CE1 PHE B 50 -9.821 -15.627 -33.397 1.00 35.17 C +ATOM 2924 HE1 PHE B 50 -9.730 -16.275 -34.269 1.00 0.00 H +ATOM 2925 CE2 PHE B 50 -10.483 -15.286 -31.132 1.00 35.17 C +ATOM 2926 HE2 PHE B 50 -10.918 -15.669 -30.209 1.00 0.00 H +ATOM 2927 CZ PHE B 50 -10.369 -16.113 -32.232 1.00 35.17 C +ATOM 2928 HZ PHE B 50 -10.712 -17.146 -32.178 1.00 0.00 H +ATOM 2929 N TYR B 51 -9.840 -9.229 -31.244 1.00 39.25 N +ATOM 2930 H TYR B 51 -10.533 -9.804 -30.724 1.00 0.00 H +ATOM 2931 CA TYR B 51 -9.363 -7.995 -30.627 1.00 39.25 C +ATOM 2932 HA TYR B 51 -8.527 -7.554 -31.171 1.00 0.00 H +ATOM 2933 C TYR B 51 -9.039 -8.432 -29.214 1.00 39.25 C +ATOM 2934 O TYR B 51 -9.932 -8.868 -28.483 1.00 39.25 O +ATOM 2935 CB TYR B 51 -10.450 -6.939 -30.583 1.00 31.19 C +ATOM 2936 HB1 TYR B 51 -10.519 -6.472 -31.565 1.00 0.00 H +ATOM 2937 HB2 TYR B 51 -11.396 -7.426 -30.346 1.00 0.00 H +ATOM 2938 CG TYR B 51 -10.194 -5.860 -29.555 1.00 31.19 C +ATOM 2939 CD1 TYR B 51 -9.200 -4.926 -29.744 1.00 31.19 C +ATOM 2940 HD1 TYR B 51 -8.580 -4.977 -30.639 1.00 0.00 H +ATOM 2941 CD2 TYR B 51 -10.965 -5.772 -28.400 1.00 31.19 C +ATOM 2942 HD2 TYR B 51 -11.754 -6.504 -28.227 1.00 0.00 H +ATOM 2943 CE1 TYR B 51 -8.978 -3.934 -28.826 1.00 31.19 C +ATOM 2944 HE1 TYR B 51 -8.185 -3.206 -28.994 1.00 0.00 H +ATOM 2945 CE2 TYR B 51 -10.750 -4.778 -27.472 1.00 31.19 C +ATOM 2946 HE2 TYR B 51 -11.362 -4.722 -26.572 1.00 0.00 H +ATOM 2947 CZ TYR B 51 -9.753 -3.855 -27.694 1.00 31.19 C +ATOM 2948 OH TYR B 51 -9.529 -2.819 -26.812 1.00 31.19 O +ATOM 2949 HH TYR B 51 -8.777 -2.265 -27.140 1.00 0.00 H +ATOM 2950 N ILE B 52 -7.763 -8.373 -28.851 1.00 21.78 N +ATOM 2951 H ILE B 52 -7.054 -8.019 -29.524 1.00 0.00 H +ATOM 2952 CA ILE B 52 -7.343 -8.798 -27.522 1.00 21.78 C +ATOM 2953 HA ILE B 52 -8.256 -9.065 -26.989 1.00 0.00 H +ATOM 2954 C ILE B 52 -6.628 -7.684 -26.778 1.00 21.78 C +ATOM 2955 O ILE B 52 -5.494 -7.320 -27.112 1.00 21.78 O +ATOM 2956 CB ILE B 52 -6.414 -10.019 -27.580 1.00 22.19 C +ATOM 2957 HB ILE B 52 -5.512 -9.712 -28.110 1.00 0.00 H +ATOM 2958 CG1 ILE B 52 -7.082 -11.185 -28.292 1.00 22.19 C +ATOM 2959 1HG1 ILE B 52 -7.914 -11.537 -27.682 1.00 0.00 H +ATOM 2960 2HG1 ILE B 52 -7.460 -10.838 -29.254 1.00 0.00 H +ATOM 2961 CG2 ILE B 52 -6.115 -10.495 -26.183 1.00 22.19 C +ATOM 2962 1HG2 ILE B 52 -5.628 -9.696 -25.625 1.00 0.00 H +ATOM 2963 2HG2 ILE B 52 -7.046 -10.771 -25.688 1.00 0.00 H +ATOM 2964 3HG2 ILE B 52 -5.455 -11.362 -26.229 1.00 0.00 H +ATOM 2965 CD1 ILE B 52 -6.132 -12.338 -28.531 1.00 22.19 C +ATOM 2966 1HD1 ILE B 52 -5.300 -11.999 -29.148 1.00 0.00 H +ATOM 2967 2HD1 ILE B 52 -5.754 -12.700 -27.575 1.00 0.00 H +ATOM 2968 3HD1 ILE B 52 -6.661 -13.143 -29.042 1.00 0.00 H +ATOM 2969 N LYS B 53 -7.307 -7.169 -25.757 1.00 25.20 N +ATOM 2970 H LYS B 53 -8.252 -7.551 -25.550 1.00 0.00 H +ATOM 2971 CA LYS B 53 -6.794 -6.095 -24.911 1.00 25.20 C +ATOM 2972 HA LYS B 53 -5.923 -5.646 -25.388 1.00 0.00 H +ATOM 2973 C LYS B 53 -6.364 -6.642 -23.550 1.00 25.20 C +ATOM 2974 O LYS B 53 -7.192 -7.101 -22.768 1.00 25.20 O +ATOM 2975 CB LYS B 53 -7.887 -5.045 -24.729 1.00 63.11 C +ATOM 2976 HB1 LYS B 53 -7.867 -4.387 -25.598 1.00 0.00 H +ATOM 2977 HB2 LYS B 53 -8.845 -5.563 -24.688 1.00 0.00 H +ATOM 2978 CG LYS B 53 -7.772 -4.185 -23.494 1.00 63.11 C +ATOM 2979 HG1 LYS B 53 -8.750 -3.759 -23.270 1.00 0.00 H +ATOM 2980 HG2 LYS B 53 -7.449 -4.809 -22.660 1.00 0.00 H +ATOM 2981 CD LYS B 53 -6.788 -3.069 -23.672 1.00 63.11 C +ATOM 2982 HD1 LYS B 53 -5.776 -3.449 -23.530 1.00 0.00 H +ATOM 2983 HD2 LYS B 53 -6.882 -2.657 -24.677 1.00 0.00 H +ATOM 2984 CE LYS B 53 -7.069 -1.983 -22.651 1.00 63.11 C +ATOM 2985 HE1 LYS B 53 -6.360 -1.168 -22.799 1.00 0.00 H +ATOM 2986 HE2 LYS B 53 -6.940 -2.397 -21.651 1.00 0.00 H +ATOM 2987 NZ LYS B 53 -8.455 -1.446 -22.776 1.00 63.11 N +ATOM 2988 HZ1 LYS B 53 -8.585 -1.042 -23.726 1.00 0.00 H +ATOM 2989 HZ2 LYS B 53 -9.138 -2.216 -22.629 1.00 0.00 H +ATOM 2990 HZ3 LYS B 53 -8.605 -0.707 -22.060 1.00 0.00 H +ATOM 2991 N THR B 54 -5.066 -6.621 -23.286 1.00 23.06 N +ATOM 2992 H THR B 54 -4.406 -6.251 -23.999 1.00 0.00 H +ATOM 2993 CA THR B 54 -4.550 -7.105 -22.020 1.00 23.06 C +ATOM 2994 HA THR B 54 -5.365 -7.565 -21.461 1.00 0.00 H +ATOM 2995 C THR B 54 -3.999 -5.943 -21.207 1.00 23.06 C +ATOM 2996 O THR B 54 -2.913 -5.427 -21.483 1.00 23.06 O +ATOM 2997 CB THR B 54 -3.482 -8.171 -22.242 1.00 34.11 C +ATOM 2998 HB THR B 54 -2.788 -7.821 -23.007 1.00 0.00 H +ATOM 2999 OG1 THR B 54 -4.116 -9.383 -22.661 1.00 34.11 O +ATOM 3000 HG1 THR B 54 -3.429 -10.080 -22.807 1.00 0.00 H +ATOM 3001 CG2 THR B 54 -2.703 -8.427 -20.969 1.00 34.11 C +ATOM 3002 1HG2 THR B 54 -3.384 -8.771 -20.191 1.00 0.00 H +ATOM 3003 2HG2 THR B 54 -1.947 -9.190 -21.155 1.00 0.00 H +ATOM 3004 3HG2 THR B 54 -2.219 -7.504 -20.649 1.00 0.00 H +ATOM 3005 N SER B 55 -4.737 -5.574 -20.167 1.00 28.75 N +ATOM 3006 H SER B 55 -5.605 -6.103 -19.948 1.00 0.00 H +ATOM 3007 CA SER B 55 -4.363 -4.454 -19.331 1.00 28.75 C +ATOM 3008 HA SER B 55 -3.522 -3.984 -19.840 1.00 0.00 H +ATOM 3009 C SER B 55 -3.807 -4.788 -17.942 1.00 28.75 C +ATOM 3010 O SER B 55 -4.337 -5.641 -17.228 1.00 28.75 O +ATOM 3011 CB SER B 55 -5.567 -3.522 -19.200 1.00 63.93 C +ATOM 3012 HB1 SER B 55 -6.195 -3.866 -18.378 1.00 0.00 H +ATOM 3013 HB2 SER B 55 -6.139 -3.548 -20.128 1.00 0.00 H +ATOM 3014 OG SER B 55 -5.162 -2.189 -18.945 1.00 63.93 O +ATOM 3015 HG SER B 55 -4.596 -1.869 -19.691 1.00 0.00 H +ATOM 3016 N THR B 56 -2.707 -4.128 -17.590 1.00 55.11 N +ATOM 3017 H THR B 56 -2.277 -3.477 -18.277 1.00 0.00 H +ATOM 3018 CA THR B 56 -2.076 -4.277 -16.282 1.00 55.11 C +ATOM 3019 HA THR B 56 -2.795 -4.707 -15.585 1.00 0.00 H +ATOM 3020 C THR B 56 -1.583 -2.880 -15.913 1.00 55.11 C +ATOM 3021 O THR B 56 -1.489 -2.001 -16.773 1.00 55.11 O +ATOM 3022 CB THR B 56 -0.862 -5.205 -16.298 1.00 17.53 C +ATOM 3023 HB THR B 56 -0.671 -5.534 -15.276 1.00 0.00 H +ATOM 3024 OG1 THR B 56 0.269 -4.498 -16.811 1.00 17.53 O +ATOM 3025 HG1 THR B 56 0.075 -4.191 -17.732 1.00 0.00 H +ATOM 3026 CG2 THR B 56 -1.117 -6.433 -17.155 1.00 17.53 C +ATOM 3027 1HG2 THR B 56 -1.314 -6.124 -18.181 1.00 0.00 H +ATOM 3028 2HG2 THR B 56 -0.240 -7.080 -17.131 1.00 0.00 H +ATOM 3029 3HG2 THR B 56 -1.979 -6.974 -16.765 1.00 0.00 H +ATOM 3030 N THR B 57 -1.184 -2.698 -14.664 1.00 59.10 N +ATOM 3031 H THR B 57 -1.194 -3.503 -14.005 1.00 0.00 H +ATOM 3032 CA THR B 57 -0.731 -1.397 -14.191 1.00 59.10 C +ATOM 3033 HA THR B 57 -1.565 -0.740 -14.440 1.00 0.00 H +ATOM 3034 C THR B 57 0.427 -0.722 -14.932 1.00 59.10 C +ATOM 3035 O THR B 57 0.321 0.453 -15.277 1.00 59.10 O +ATOM 3036 CB THR B 57 -0.493 -1.427 -12.665 1.00 61.84 C +ATOM 3037 HB THR B 57 -0.662 -2.445 -12.313 1.00 0.00 H +ATOM 3038 OG1 THR B 57 -1.405 -0.518 -12.039 1.00 61.84 O +ATOM 3039 HG1 THR B 57 -1.261 -0.530 -11.060 1.00 0.00 H +ATOM 3040 CG2 THR B 57 0.947 -1.058 -12.296 1.00 61.84 C +ATOM 3041 1HG2 THR B 57 1.159 -0.044 -12.635 1.00 0.00 H +ATOM 3042 2HG2 THR B 57 1.069 -1.113 -11.214 1.00 0.00 H +ATOM 3043 3HG2 THR B 57 1.634 -1.755 -12.777 1.00 0.00 H +ATOM 3044 N VAL B 58 1.515 -1.441 -15.197 1.00 47.73 N +ATOM 3045 H VAL B 58 1.558 -2.440 -14.909 1.00 0.00 H +ATOM 3046 CA VAL B 58 2.650 -0.833 -15.891 1.00 47.73 C +ATOM 3047 HA VAL B 58 2.501 0.227 -15.684 1.00 0.00 H +ATOM 3048 C VAL B 58 2.677 -1.005 -17.401 1.00 47.73 C +ATOM 3049 O VAL B 58 3.605 -0.528 -18.049 1.00 47.73 O +ATOM 3050 CB VAL B 58 3.989 -1.326 -15.354 1.00 22.13 C +ATOM 3051 HB VAL B 58 4.801 -0.855 -15.908 1.00 0.00 H +ATOM 3052 CG1 VAL B 58 4.120 -0.940 -13.908 1.00 22.13 C +ATOM 3053 1HG1 VAL B 58 4.068 0.145 -13.817 1.00 0.00 H +ATOM 3054 2HG1 VAL B 58 3.309 -1.393 -13.337 1.00 0.00 H +ATOM 3055 3HG1 VAL B 58 5.077 -1.293 -13.524 1.00 0.00 H +ATOM 3056 CG2 VAL B 58 4.124 -2.828 -15.554 1.00 22.13 C +ATOM 3057 1HG2 VAL B 58 3.320 -3.338 -15.023 1.00 0.00 H +ATOM 3058 2HG2 VAL B 58 4.062 -3.059 -16.618 1.00 0.00 H +ATOM 3059 3HG2 VAL B 58 5.086 -3.160 -15.164 1.00 0.00 H +ATOM 3060 N ARG B 59 1.683 -1.695 -17.959 1.00 44.78 N +ATOM 3061 H ARG B 59 0.933 -2.084 -17.352 1.00 0.00 H +ATOM 3062 CA ARG B 59 1.619 -1.919 -19.400 1.00 44.78 C +ATOM 3063 HA ARG B 59 1.683 -0.926 -19.845 1.00 0.00 H +ATOM 3064 C ARG B 59 0.316 -2.533 -19.867 1.00 44.78 C +ATOM 3065 O ARG B 59 -0.107 -3.590 -19.393 1.00 44.78 O +ATOM 3066 CB ARG B 59 2.786 -2.783 -19.877 1.00 51.56 C +ATOM 3067 HB1 ARG B 59 3.573 -2.124 -20.245 1.00 0.00 H +ATOM 3068 HB2 ARG B 59 3.160 -3.354 -19.027 1.00 0.00 H +ATOM 3069 CG ARG B 59 2.422 -3.752 -20.979 1.00 51.56 C +ATOM 3070 HG1 ARG B 59 1.736 -4.499 -20.580 1.00 0.00 H +ATOM 3071 HG2 ARG B 59 1.932 -3.204 -21.783 1.00 0.00 H +ATOM 3072 CD ARG B 59 3.631 -4.449 -21.533 1.00 51.56 C +ATOM 3073 HD1 ARG B 59 3.332 -5.420 -21.927 1.00 0.00 H +ATOM 3074 HD2 ARG B 59 4.358 -4.591 -20.733 1.00 0.00 H +ATOM 3075 NE ARG B 59 4.245 -3.671 -22.600 1.00 51.56 N +ATOM 3076 HE ARG B 59 4.218 -2.634 -22.529 1.00 0.00 H +ATOM 3077 CZ ARG B 59 4.838 -4.210 -23.659 1.00 51.56 C +ATOM 3078 NH1 ARG B 59 4.898 -5.534 -23.784 1.00 51.56 N +ATOM 3079 1HH1 ARG B 59 4.481 -6.145 -23.053 1.00 0.00 H +ATOM 3080 2HH1 ARG B 59 5.362 -5.958 -24.613 1.00 0.00 H +ATOM 3081 NH2 ARG B 59 5.357 -3.429 -24.602 1.00 51.56 N +ATOM 3082 1HH2 ARG B 59 5.299 -2.395 -24.511 1.00 0.00 H +ATOM 3083 2HH2 ARG B 59 5.821 -3.853 -25.431 1.00 0.00 H +ATOM 3084 N THR B 60 -0.270 -1.890 -20.866 1.00 57.30 N +ATOM 3085 H THR B 60 0.184 -1.033 -21.243 1.00 0.00 H +ATOM 3086 CA THR B 60 -1.519 -2.333 -21.455 1.00 57.30 C +ATOM 3087 HA THR B 60 -1.831 -3.274 -21.001 1.00 0.00 H +ATOM 3088 C THR B 60 -1.308 -2.528 -22.951 1.00 57.30 C +ATOM 3089 O THR B 60 -0.635 -1.727 -23.604 1.00 57.30 O +ATOM 3090 CB THR B 60 -2.618 -1.290 -21.205 1.00 45.41 C +ATOM 3091 HB THR B 60 -2.292 -0.336 -21.618 1.00 0.00 H +ATOM 3092 OG1 THR B 60 -2.838 -1.181 -19.796 1.00 45.41 O +ATOM 3093 HG1 THR B 60 -3.121 -2.060 -19.438 1.00 0.00 H +ATOM 3094 CG2 THR B 60 -3.907 -1.674 -21.885 1.00 45.41 C +ATOM 3095 1HG2 THR B 60 -4.251 -2.632 -21.495 1.00 0.00 H +ATOM 3096 2HG2 THR B 60 -4.660 -0.910 -21.692 1.00 0.00 H +ATOM 3097 3HG2 THR B 60 -3.739 -1.757 -22.959 1.00 0.00 H +ATOM 3098 N THR B 61 -1.830 -3.625 -23.483 1.00 30.35 N +ATOM 3099 H THR B 61 -2.343 -4.299 -22.879 1.00 0.00 H +ATOM 3100 CA THR B 61 -1.690 -3.889 -24.900 1.00 30.35 C +ATOM 3101 HA THR B 61 -1.285 -2.970 -25.323 1.00 0.00 H +ATOM 3102 C THR B 61 -3.013 -4.214 -25.556 1.00 30.35 C +ATOM 3103 O THR B 61 -3.942 -4.721 -24.917 1.00 30.35 O +ATOM 3104 CB THR B 61 -0.758 -5.036 -25.167 1.00 29.07 C +ATOM 3105 HB THR B 61 -0.726 -5.234 -26.238 1.00 0.00 H +ATOM 3106 OG1 THR B 61 -1.233 -6.183 -24.468 1.00 29.07 O +ATOM 3107 HG1 THR B 61 -2.143 -6.408 -24.785 1.00 0.00 H +ATOM 3108 CG2 THR B 61 0.627 -4.704 -24.705 1.00 29.07 C +ATOM 3109 1HG2 THR B 61 0.612 -4.496 -23.635 1.00 0.00 H +ATOM 3110 2HG2 THR B 61 1.287 -5.549 -24.903 1.00 0.00 H +ATOM 3111 3HG2 THR B 61 0.987 -3.826 -25.242 1.00 0.00 H +ATOM 3112 N GLU B 62 -3.089 -3.888 -26.840 1.00 50.42 N +ATOM 3113 H GLU B 62 -2.269 -3.436 -27.294 1.00 0.00 H +ATOM 3114 CA GLU B 62 -4.272 -4.140 -27.628 1.00 50.42 C +ATOM 3115 HA GLU B 62 -4.933 -4.837 -27.113 1.00 0.00 H +ATOM 3116 C GLU B 62 -3.802 -4.689 -28.957 1.00 50.42 C +ATOM 3117 O GLU B 62 -2.934 -4.093 -29.585 1.00 50.42 O +ATOM 3118 CB GLU B 62 -5.040 -2.837 -27.868 1.00 48.36 C +ATOM 3119 HB1 GLU B 62 -4.469 -2.226 -28.567 1.00 0.00 H +ATOM 3120 HB2 GLU B 62 -6.006 -3.084 -28.309 1.00 0.00 H +ATOM 3121 CG GLU B 62 -5.283 -2.024 -26.613 1.00 48.36 C +ATOM 3122 HG1 GLU B 62 -5.666 -2.690 -25.839 1.00 0.00 H +ATOM 3123 HG2 GLU B 62 -4.333 -1.599 -26.288 1.00 0.00 H +ATOM 3124 CD GLU B 62 -6.275 -0.891 -26.807 1.00 48.36 C +ATOM 3125 OE1 GLU B 62 -7.492 -1.168 -26.829 1.00 48.36 O +ATOM 3126 OE2 GLU B 62 -5.841 0.279 -26.903 1.00 48.36 O +ATOM 3127 N ILE B 63 -4.251 -5.889 -29.311 1.00 29.88 N +ATOM 3128 H ILE B 63 -4.857 -6.424 -28.657 1.00 0.00 H +ATOM 3129 CA ILE B 63 -3.904 -6.465 -30.607 1.00 29.88 C +ATOM 3130 HA ILE B 63 -3.254 -5.747 -31.107 1.00 0.00 H +ATOM 3131 C ILE B 63 -5.202 -6.732 -31.338 1.00 29.88 C +ATOM 3132 O ILE B 63 -6.253 -6.926 -30.718 1.00 29.88 O +ATOM 3133 CB ILE B 63 -3.092 -7.798 -30.548 1.00 37.06 C +ATOM 3134 HB ILE B 63 -2.975 -8.162 -31.569 1.00 0.00 H +ATOM 3135 CG1 ILE B 63 -3.845 -8.874 -29.771 1.00 37.06 C +ATOM 3136 1HG1 ILE B 63 -3.878 -8.588 -28.720 1.00 0.00 H +ATOM 3137 2HG1 ILE B 63 -4.861 -8.941 -30.160 1.00 0.00 H +ATOM 3138 CG2 ILE B 63 -1.711 -7.569 -29.991 1.00 37.06 C +ATOM 3139 1HG2 ILE B 63 -1.177 -6.863 -30.627 1.00 0.00 H +ATOM 3140 2HG2 ILE B 63 -1.790 -7.164 -28.982 1.00 0.00 H +ATOM 3141 3HG2 ILE B 63 -1.171 -8.515 -29.963 1.00 0.00 H +ATOM 3142 CD1 ILE B 63 -3.190 -10.235 -29.885 1.00 37.06 C +ATOM 3143 1HD1 ILE B 63 -3.159 -10.535 -30.932 1.00 0.00 H +ATOM 3144 2HD1 ILE B 63 -2.175 -10.183 -29.491 1.00 0.00 H +ATOM 3145 3HD1 ILE B 63 -3.766 -10.963 -29.314 1.00 0.00 H +ATOM 3146 N ASN B 64 -5.133 -6.652 -32.660 1.00 58.96 N +ATOM 3147 H ASN B 64 -4.223 -6.402 -33.098 1.00 0.00 H +ATOM 3148 CA ASN B 64 -6.277 -6.899 -33.521 1.00 58.96 C +ATOM 3149 HA ASN B 64 -7.092 -7.401 -33.000 1.00 0.00 H +ATOM 3150 C ASN B 64 -5.707 -7.725 -34.662 1.00 58.96 C +ATOM 3151 O ASN B 64 -4.806 -7.271 -35.369 1.00 58.96 O +ATOM 3152 CB ASN B 64 -6.842 -5.582 -34.054 1.00 66.44 C +ATOM 3153 HB1 ASN B 64 -6.075 -5.091 -34.653 1.00 0.00 H +ATOM 3154 HB2 ASN B 64 -7.706 -5.802 -34.681 1.00 0.00 H +ATOM 3155 CG ASN B 64 -7.274 -4.635 -32.944 1.00 66.44 C +ATOM 3156 OD1 ASN B 64 -8.467 -4.472 -32.687 1.00 66.44 O +ATOM 3157 ND2 ASN B 64 -6.303 -4.002 -32.283 1.00 66.44 N +ATOM 3158 1HD2 ASN B 64 -6.541 -3.340 -31.517 1.00 0.00 H +ATOM 3159 2HD2 ASN B 64 -5.308 -4.170 -32.534 1.00 0.00 H +ATOM 3160 N PHE B 65 -6.177 -8.958 -34.803 1.00 30.88 N +ATOM 3161 H PHE B 65 -6.910 -9.312 -34.156 1.00 0.00 H +ATOM 3162 CA PHE B 65 -5.668 -9.813 -35.862 1.00 30.88 C +ATOM 3163 HA PHE B 65 -5.334 -9.172 -36.678 1.00 0.00 H +ATOM 3164 C PHE B 65 -6.750 -10.735 -36.404 1.00 30.88 C +ATOM 3165 O PHE B 65 -7.779 -10.937 -35.751 1.00 30.88 O +ATOM 3166 CB PHE B 65 -4.485 -10.643 -35.344 1.00 41.32 C +ATOM 3167 HB1 PHE B 65 -4.079 -11.218 -36.176 1.00 0.00 H +ATOM 3168 HB2 PHE B 65 -3.723 -9.959 -34.971 1.00 0.00 H +ATOM 3169 CG PHE B 65 -4.847 -11.604 -34.233 1.00 41.32 C +ATOM 3170 CD1 PHE B 65 -4.841 -11.187 -32.906 1.00 41.32 C +ATOM 3171 HD1 PHE B 65 -4.580 -10.156 -32.668 1.00 0.00 H +ATOM 3172 CD2 PHE B 65 -5.184 -12.919 -34.514 1.00 41.32 C +ATOM 3173 HD2 PHE B 65 -5.195 -13.263 -35.548 1.00 0.00 H +ATOM 3174 CE1 PHE B 65 -5.160 -12.060 -31.887 1.00 41.32 C +ATOM 3175 HE1 PHE B 65 -5.149 -11.719 -30.852 1.00 0.00 H +ATOM 3176 CE2 PHE B 65 -5.506 -13.796 -33.500 1.00 41.32 C +ATOM 3177 HE2 PHE B 65 -5.771 -14.827 -33.734 1.00 0.00 H +ATOM 3178 CZ PHE B 65 -5.492 -13.364 -32.181 1.00 41.32 C +ATOM 3179 HZ PHE B 65 -5.744 -14.057 -31.378 1.00 0.00 H +ATOM 3180 N LYS B 66 -6.533 -11.228 -37.626 1.00 33.59 N +ATOM 3181 H LYS B 66 -5.679 -10.929 -38.138 1.00 0.00 H +ATOM 3182 CA LYS B 66 -7.443 -12.170 -38.276 1.00 33.59 C +ATOM 3183 HA LYS B 66 -8.363 -12.314 -37.710 1.00 0.00 H +ATOM 3184 C LYS B 66 -6.619 -13.447 -38.401 1.00 33.59 C +ATOM 3185 O LYS B 66 -5.514 -13.430 -38.958 1.00 33.59 O +ATOM 3186 CB LYS B 66 -7.892 -11.666 -39.649 1.00102.81 C +ATOM 3187 HB1 LYS B 66 -8.336 -10.678 -39.527 1.00 0.00 H +ATOM 3188 HB2 LYS B 66 -7.017 -11.593 -40.294 1.00 0.00 H +ATOM 3189 CG LYS B 66 -8.911 -12.574 -40.318 1.00102.81 C +ATOM 3190 HG1 LYS B 66 -8.388 -13.414 -40.776 1.00 0.00 H +ATOM 3191 HG2 LYS B 66 -9.602 -12.946 -39.562 1.00 0.00 H +ATOM 3192 CD LYS B 66 -9.704 -11.843 -41.392 1.00102.81 C +ATOM 3193 HD1 LYS B 66 -10.269 -11.034 -40.929 1.00 0.00 H +ATOM 3194 HD2 LYS B 66 -9.013 -11.429 -42.126 1.00 0.00 H +ATOM 3195 CE LYS B 66 -10.670 -12.786 -42.095 1.00102.81 C +ATOM 3196 HE1 LYS B 66 -11.317 -12.204 -42.751 1.00 0.00 H +ATOM 3197 HE2 LYS B 66 -11.277 -13.294 -41.345 1.00 0.00 H +ATOM 3198 NZ LYS B 66 -9.950 -13.809 -42.908 1.00102.81 N +ATOM 3199 HZ1 LYS B 66 -9.373 -13.333 -43.630 1.00 0.00 H +ATOM 3200 HZ2 LYS B 66 -9.335 -14.373 -42.287 1.00 0.00 H +ATOM 3201 HZ3 LYS B 66 -10.642 -14.432 -43.371 1.00 0.00 H +ATOM 3202 N VAL B 67 -7.121 -14.532 -37.817 1.00 36.04 N +ATOM 3203 H VAL B 67 -8.050 -14.476 -37.352 1.00 0.00 H +ATOM 3204 CA VAL B 67 -6.398 -15.797 -37.815 1.00 36.04 C +ATOM 3205 HA VAL B 67 -5.497 -15.645 -37.220 1.00 0.00 H +ATOM 3206 C VAL B 67 -6.011 -16.186 -39.218 1.00 36.04 C +ATOM 3207 O VAL B 67 -6.851 -16.215 -40.116 1.00 36.04 O +ATOM 3208 CB VAL B 67 -7.200 -16.939 -37.146 1.00 27.66 C +ATOM 3209 HB VAL B 67 -8.122 -17.096 -37.706 1.00 0.00 H +ATOM 3210 CG1 VAL B 67 -6.378 -18.232 -37.161 1.00 27.66 C +ATOM 3211 1HG1 VAL B 67 -6.153 -18.506 -38.192 1.00 0.00 H +ATOM 3212 2HG1 VAL B 67 -5.448 -18.076 -36.614 1.00 0.00 H +ATOM 3213 3HG1 VAL B 67 -6.950 -19.030 -36.688 1.00 0.00 H +ATOM 3214 CG2 VAL B 67 -7.556 -16.563 -35.705 1.00 27.66 C +ATOM 3215 1HG2 VAL B 67 -6.641 -16.391 -35.139 1.00 0.00 H +ATOM 3216 2HG2 VAL B 67 -8.160 -15.656 -35.706 1.00 0.00 H +ATOM 3217 3HG2 VAL B 67 -8.120 -17.376 -35.247 1.00 0.00 H +ATOM 3218 N GLY B 68 -4.721 -16.425 -39.406 1.00 38.72 N +ATOM 3219 H GLY B 68 -4.060 -16.344 -38.607 1.00 0.00 H +ATOM 3220 CA GLY B 68 -4.222 -16.798 -40.716 1.00 38.72 C +ATOM 3221 HA1 GLY B 68 -3.558 -17.656 -40.609 1.00 0.00 H +ATOM 3222 HA2 GLY B 68 -5.066 -17.070 -41.350 1.00 0.00 H +ATOM 3223 C GLY B 68 -3.457 -15.667 -41.378 1.00 38.72 C +ATOM 3224 O GLY B 68 -2.542 -15.905 -42.165 1.00 38.72 O +ATOM 3225 N GLU B 69 -3.848 -14.433 -41.072 1.00 34.23 N +ATOM 3226 H GLU B 69 -4.647 -14.303 -40.420 1.00 0.00 H +ATOM 3227 CA GLU B 69 -3.188 -13.262 -41.625 1.00 34.23 C +ATOM 3228 HA GLU B 69 -2.609 -13.569 -42.496 1.00 0.00 H +ATOM 3229 C GLU B 69 -2.248 -12.665 -40.587 1.00 34.23 C +ATOM 3230 O GLU B 69 -2.687 -12.186 -39.526 1.00 34.23 O +ATOM 3231 CB GLU B 69 -4.212 -12.217 -42.095 1.00109.07 C +ATOM 3232 HB1 GLU B 69 -4.867 -11.977 -41.257 1.00 0.00 H +ATOM 3233 HB2 GLU B 69 -3.672 -11.321 -42.400 1.00 0.00 H +ATOM 3234 CG GLU B 69 -5.084 -12.681 -43.273 1.00109.07 C +ATOM 3235 HG1 GLU B 69 -4.427 -13.047 -44.062 1.00 0.00 H +ATOM 3236 HG2 GLU B 69 -5.722 -13.494 -42.927 1.00 0.00 H +ATOM 3237 CD GLU B 69 -5.978 -11.588 -43.862 1.00109.07 C +ATOM 3238 OE1 GLU B 69 -5.963 -10.442 -43.362 1.00109.07 O +ATOM 3239 OE2 GLU B 69 -6.699 -11.879 -44.843 1.00109.07 O +ATOM 3240 N GLY B 70 -0.952 -12.734 -40.899 1.00 31.10 N +ATOM 3241 H GLY B 70 -0.678 -13.186 -41.795 1.00 0.00 H +ATOM 3242 CA GLY B 70 0.093 -12.203 -40.039 1.00 31.10 C +ATOM 3243 HA1 GLY B 70 0.142 -12.813 -39.137 1.00 0.00 H +ATOM 3244 HA2 GLY B 70 1.043 -12.265 -40.570 1.00 0.00 H +ATOM 3245 C GLY B 70 -0.139 -10.758 -39.633 1.00 31.10 C +ATOM 3246 O GLY B 70 -0.926 -10.047 -40.257 1.00 31.10 O +ATOM 3247 N PHE B 71 0.540 -10.335 -38.570 1.00 29.88 N +ATOM 3248 H PHE B 71 1.187 -10.997 -38.095 1.00 0.00 H +ATOM 3249 CA PHE B 71 0.414 -8.984 -38.045 1.00 29.88 C +ATOM 3250 HA PHE B 71 0.297 -8.313 -38.896 1.00 0.00 H +ATOM 3251 C PHE B 71 1.662 -8.567 -37.289 1.00 29.88 C +ATOM 3252 O PHE B 71 2.597 -9.353 -37.126 1.00 29.88 O +ATOM 3253 CB PHE B 71 -0.834 -8.847 -37.153 1.00 41.51 C +ATOM 3254 HB1 PHE B 71 -0.916 -7.805 -36.844 1.00 0.00 H +ATOM 3255 HB2 PHE B 71 -1.706 -9.118 -37.748 1.00 0.00 H +ATOM 3256 CG PHE B 71 -0.830 -9.714 -35.896 1.00 41.51 C +ATOM 3257 CD1 PHE B 71 -0.938 -11.092 -35.969 1.00 41.51 C +ATOM 3258 HD1 PHE B 71 -0.933 -11.582 -36.943 1.00 0.00 H +ATOM 3259 CD2 PHE B 71 -0.830 -9.128 -34.638 1.00 41.51 C +ATOM 3260 HD2 PHE B 71 -0.738 -8.045 -34.552 1.00 0.00 H +ATOM 3261 CE1 PHE B 71 -1.053 -11.858 -34.816 1.00 41.51 C +ATOM 3262 HE1 PHE B 71 -1.140 -12.942 -34.889 1.00 0.00 H +ATOM 3263 CE2 PHE B 71 -0.945 -9.891 -33.492 1.00 41.51 C +ATOM 3264 HE2 PHE B 71 -0.946 -9.408 -32.515 1.00 0.00 H +ATOM 3265 CZ PHE B 71 -1.057 -11.249 -33.581 1.00 41.51 C +ATOM 3266 HZ PHE B 71 -1.149 -11.850 -32.676 1.00 0.00 H +ATOM 3267 N GLU B 72 1.722 -7.298 -36.914 1.00 53.79 N +ATOM 3268 H GLU B 72 0.942 -6.653 -37.153 1.00 0.00 H +ATOM 3269 CA GLU B 72 2.864 -6.799 -36.174 1.00 53.79 C +ATOM 3270 HA GLU B 72 3.649 -7.554 -36.151 1.00 0.00 H +ATOM 3271 C GLU B 72 2.403 -6.483 -34.768 1.00 53.79 C +ATOM 3272 O GLU B 72 1.430 -5.756 -34.558 1.00 53.79 O +ATOM 3273 CB GLU B 72 3.467 -5.563 -36.846 1.00129.48 C +ATOM 3274 HB1 GLU B 72 2.667 -4.844 -37.023 1.00 0.00 H +ATOM 3275 HB2 GLU B 72 4.202 -5.128 -36.168 1.00 0.00 H +ATOM 3276 CG GLU B 72 4.155 -5.854 -38.178 1.00129.48 C +ATOM 3277 HG1 GLU B 72 4.904 -6.630 -38.021 1.00 0.00 H +ATOM 3278 HG2 GLU B 72 3.407 -6.211 -38.886 1.00 0.00 H +ATOM 3279 CD GLU B 72 4.839 -4.634 -38.770 1.00129.48 C +ATOM 3280 OE1 GLU B 72 4.149 -3.821 -39.417 1.00129.48 O +ATOM 3281 OE2 GLU B 72 6.067 -4.488 -38.591 1.00129.48 O +ATOM 3282 N GLU B 73 3.082 -7.088 -33.811 1.00 57.92 N +ATOM 3283 H GLU B 73 3.869 -7.716 -34.072 1.00 0.00 H +ATOM 3284 CA GLU B 73 2.766 -6.906 -32.409 1.00 57.92 C +ATOM 3285 HA GLU B 73 2.234 -5.972 -32.230 1.00 0.00 H +ATOM 3286 C GLU B 73 4.098 -6.933 -31.665 1.00 57.92 C +ATOM 3287 O GLU B 73 5.162 -6.932 -32.296 1.00 57.92 O +ATOM 3288 CB GLU B 73 1.880 -8.059 -31.937 1.00 27.57 C +ATOM 3289 HB1 GLU B 73 1.630 -7.900 -30.888 1.00 0.00 H +ATOM 3290 HB2 GLU B 73 0.966 -8.062 -32.531 1.00 0.00 H +ATOM 3291 CG GLU B 73 2.562 -9.424 -32.078 1.00 27.57 C +ATOM 3292 HG1 GLU B 73 2.564 -9.701 -33.132 1.00 0.00 H +ATOM 3293 HG2 GLU B 73 3.590 -9.334 -31.725 1.00 0.00 H +ATOM 3294 CD GLU B 73 1.881 -10.525 -31.294 1.00 27.57 C +ATOM 3295 OE1 GLU B 73 0.996 -10.235 -30.455 1.00 27.57 O +ATOM 3296 OE2 GLU B 73 2.249 -11.693 -31.517 1.00 27.57 O +ATOM 3297 N GLU B 74 4.047 -6.974 -30.333 1.00 39.25 N +ATOM 3298 H GLU B 74 3.121 -6.982 -29.859 1.00 0.00 H +ATOM 3299 CA GLU B 74 5.262 -7.008 -29.526 1.00 39.25 C +ATOM 3300 HA GLU B 74 6.085 -6.973 -30.240 1.00 0.00 H +ATOM 3301 C GLU B 74 5.446 -8.276 -28.714 1.00 39.25 C +ATOM 3302 O GLU B 74 4.482 -8.811 -28.159 1.00 39.25 O +ATOM 3303 CB GLU B 74 5.286 -5.818 -28.581 1.00 61.21 C +ATOM 3304 HB1 GLU B 74 4.388 -5.844 -27.964 1.00 0.00 H +ATOM 3305 HB2 GLU B 74 6.166 -5.897 -27.942 1.00 0.00 H +ATOM 3306 CG GLU B 74 5.334 -4.516 -29.298 1.00 61.21 C +ATOM 3307 HG1 GLU B 74 6.076 -4.578 -30.094 1.00 0.00 H +ATOM 3308 HG2 GLU B 74 4.354 -4.315 -29.731 1.00 0.00 H +ATOM 3309 CD GLU B 74 5.697 -3.399 -28.388 1.00 61.21 C +ATOM 3310 OE1 GLU B 74 4.777 -2.818 -27.786 1.00 61.21 O +ATOM 3311 OE2 GLU B 74 6.903 -3.112 -28.266 1.00 61.21 O +ATOM 3312 N THR B 75 6.686 -8.754 -28.649 1.00 38.60 N +ATOM 3313 H THR B 75 7.448 -8.285 -29.179 1.00 0.00 H +ATOM 3314 CA THR B 75 6.984 -9.929 -27.841 1.00 38.60 C +ATOM 3315 HA THR B 75 6.356 -10.776 -28.118 1.00 0.00 H +ATOM 3316 C THR B 75 6.759 -9.462 -26.389 1.00 38.60 C +ATOM 3317 O THR B 75 6.881 -8.260 -26.119 1.00 38.60 O +ATOM 3318 CB THR B 75 8.440 -10.413 -28.036 1.00 38.11 C +ATOM 3319 HB THR B 75 8.600 -11.275 -27.388 1.00 0.00 H +ATOM 3320 OG1 THR B 75 9.342 -9.360 -27.704 1.00 38.11 O +ATOM 3321 HG1 THR B 75 9.206 -9.096 -26.760 1.00 0.00 H +ATOM 3322 CG2 THR B 75 8.687 -10.815 -29.475 1.00 38.11 C +ATOM 3323 1HG2 THR B 75 8.516 -9.957 -30.125 1.00 0.00 H +ATOM 3324 2HG2 THR B 75 9.717 -11.156 -29.584 1.00 0.00 H +ATOM 3325 3HG2 THR B 75 8.005 -11.621 -29.748 1.00 0.00 H +ATOM 3326 N VAL B 76 6.440 -10.394 -25.477 1.00 27.71 N +ATOM 3327 H VAL B 76 6.397 -11.385 -25.789 1.00 0.00 H +ATOM 3328 CA VAL B 76 6.145 -10.103 -24.054 1.00 27.71 C +ATOM 3329 HA VAL B 76 5.140 -9.684 -24.106 1.00 0.00 H +ATOM 3330 C VAL B 76 7.017 -9.058 -23.386 1.00 27.71 C +ATOM 3331 O VAL B 76 6.524 -8.214 -22.637 1.00 27.71 O +ATOM 3332 CB VAL B 76 6.187 -11.371 -23.195 1.00 28.72 C +ATOM 3333 HB VAL B 76 7.166 -11.836 -23.312 1.00 0.00 H +ATOM 3334 CG1 VAL B 76 5.974 -11.034 -21.735 1.00 28.72 C +ATOM 3335 1HG1 VAL B 76 6.759 -10.355 -21.402 1.00 0.00 H +ATOM 3336 2HG1 VAL B 76 5.002 -10.556 -21.612 1.00 0.00 H +ATOM 3337 3HG1 VAL B 76 6.008 -11.949 -21.144 1.00 0.00 H +ATOM 3338 CG2 VAL B 76 5.121 -12.308 -23.639 1.00 28.72 C +ATOM 3339 1HG2 VAL B 76 4.149 -11.828 -23.531 1.00 0.00 H +ATOM 3340 2HG2 VAL B 76 5.283 -12.572 -24.684 1.00 0.00 H +ATOM 3341 3HG2 VAL B 76 5.153 -13.209 -23.027 1.00 0.00 H +ATOM 3342 N ASP B 77 8.313 -9.123 -23.670 1.00 30.12 N +ATOM 3343 H ASP B 77 8.660 -9.868 -24.307 1.00 0.00 H +ATOM 3344 CA ASP B 77 9.250 -8.175 -23.108 1.00 30.12 C +ATOM 3345 HA ASP B 77 8.857 -7.873 -22.137 1.00 0.00 H +ATOM 3346 C ASP B 77 9.379 -6.924 -23.952 1.00 30.12 C +ATOM 3347 O ASP B 77 10.449 -6.326 -24.007 1.00 30.12 O +ATOM 3348 CB ASP B 77 10.611 -8.824 -22.922 1.00 39.15 C +ATOM 3349 HB1 ASP B 77 11.268 -8.120 -22.412 1.00 0.00 H +ATOM 3350 HB2 ASP B 77 10.492 -9.717 -22.309 1.00 0.00 H +ATOM 3351 CG ASP B 77 11.238 -9.212 -24.219 1.00 39.15 C +ATOM 3352 OD1 ASP B 77 10.537 -9.802 -25.058 1.00 39.15 O +ATOM 3353 OD2 ASP B 77 12.439 -8.924 -24.395 1.00 39.15 O +ATOM 3354 N GLY B 78 8.296 -6.551 -24.629 1.00 31.98 N +ATOM 3355 H GLY B 78 7.440 -7.139 -24.570 1.00 0.00 H +ATOM 3356 CA GLY B 78 8.267 -5.350 -25.448 1.00 31.98 C +ATOM 3357 HA1 GLY B 78 7.230 -5.226 -25.758 1.00 0.00 H +ATOM 3358 HA2 GLY B 78 8.548 -4.531 -24.786 1.00 0.00 H +ATOM 3359 C GLY B 78 9.103 -5.173 -26.708 1.00 31.98 C +ATOM 3360 O GLY B 78 9.400 -4.036 -27.066 1.00 31.98 O +ATOM 3361 N ARG B 79 9.513 -6.253 -27.367 1.00 42.44 N +ATOM 3362 H ARG B 79 9.289 -7.202 -27.005 1.00 0.00 H +ATOM 3363 CA ARG B 79 10.282 -6.101 -28.606 1.00 42.44 C +ATOM 3364 HA ARG B 79 10.945 -5.240 -28.519 1.00 0.00 H +ATOM 3365 C ARG B 79 9.269 -5.950 -29.731 1.00 42.44 C +ATOM 3366 O ARG B 79 8.060 -5.917 -29.479 1.00 42.44 O +ATOM 3367 CB ARG B 79 11.153 -7.319 -28.891 1.00 84.04 C +ATOM 3368 HB1 ARG B 79 10.504 -8.193 -28.948 1.00 0.00 H +ATOM 3369 HB2 ARG B 79 11.642 -7.168 -29.853 1.00 0.00 H +ATOM 3370 CG ARG B 79 12.215 -7.593 -27.866 1.00 84.04 C +ATOM 3371 HG1 ARG B 79 12.985 -6.823 -27.922 1.00 0.00 H +ATOM 3372 HG2 ARG B 79 11.772 -7.590 -26.870 1.00 0.00 H +ATOM 3373 CD ARG B 79 12.830 -8.946 -28.143 1.00 84.04 C +ATOM 3374 HD1 ARG B 79 13.546 -8.842 -28.958 1.00 0.00 H +ATOM 3375 HD2 ARG B 79 12.038 -9.633 -28.442 1.00 0.00 H +ATOM 3376 NE ARG B 79 13.520 -9.507 -26.985 1.00 84.04 N +ATOM 3377 HE ARG B 79 14.068 -8.858 -26.385 1.00 0.00 H +ATOM 3378 CZ ARG B 79 13.494 -10.797 -26.645 1.00 84.04 C +ATOM 3379 NH1 ARG B 79 12.809 -11.677 -27.372 1.00 84.04 N +ATOM 3380 1HH1 ARG B 79 12.287 -11.361 -28.214 1.00 0.00 H +ATOM 3381 2HH1 ARG B 79 12.796 -12.680 -27.098 1.00 0.00 H +ATOM 3382 NH2 ARG B 79 14.157 -11.204 -25.570 1.00 84.04 N +ATOM 3383 1HH2 ARG B 79 14.692 -10.519 -24.999 1.00 0.00 H +ATOM 3384 2HH2 ARG B 79 14.141 -12.208 -25.299 1.00 0.00 H +ATOM 3385 N LYS B 80 9.759 -5.831 -30.963 1.00 56.41 N +ATOM 3386 H LYS B 80 10.790 -5.832 -31.100 1.00 0.00 H +ATOM 3387 CA LYS B 80 8.885 -5.699 -32.129 1.00 56.41 C +ATOM 3388 HA LYS B 80 7.855 -5.585 -31.790 1.00 0.00 H +ATOM 3389 C LYS B 80 9.023 -6.948 -32.982 1.00 56.41 C +ATOM 3390 O LYS B 80 10.132 -7.405 -33.253 1.00 56.41 O +ATOM 3391 CB LYS B 80 9.236 -4.457 -32.952 1.00147.23 C +ATOM 3392 HB1 LYS B 80 10.303 -4.265 -32.837 1.00 0.00 H +ATOM 3393 HB2 LYS B 80 9.017 -4.671 -33.998 1.00 0.00 H +ATOM 3394 CG LYS B 80 8.479 -3.185 -32.558 1.00147.23 C +ATOM 3395 HG1 LYS B 80 8.708 -2.406 -33.286 1.00 0.00 H +ATOM 3396 HG2 LYS B 80 7.410 -3.398 -32.579 1.00 0.00 H +ATOM 3397 CD LYS B 80 8.845 -2.671 -31.166 1.00147.23 C +ATOM 3398 HD1 LYS B 80 8.272 -1.767 -30.962 1.00 0.00 H +ATOM 3399 HD2 LYS B 80 8.592 -3.434 -30.430 1.00 0.00 H +ATOM 3400 CE LYS B 80 10.329 -2.350 -31.052 1.00147.23 C +ATOM 3401 HE1 LYS B 80 10.596 -1.643 -31.837 1.00 0.00 H +ATOM 3402 HE2 LYS B 80 10.898 -3.270 -31.185 1.00 0.00 H +ATOM 3403 NZ LYS B 80 10.681 -1.756 -29.734 1.00147.23 N +ATOM 3404 HZ1 LYS B 80 10.149 -0.872 -29.600 1.00 0.00 H +ATOM 3405 HZ2 LYS B 80 10.438 -2.426 -28.977 1.00 0.00 H +ATOM 3406 HZ3 LYS B 80 11.701 -1.556 -29.707 1.00 0.00 H +ATOM 3407 N CYS B 81 7.893 -7.507 -33.392 1.00 50.67 N +ATOM 3408 H CYS B 81 6.985 -7.074 -33.130 1.00 0.00 H +ATOM 3409 CA CYS B 81 7.901 -8.714 -34.201 1.00 50.67 C +ATOM 3410 HA CYS B 81 8.792 -8.683 -34.828 1.00 0.00 H +ATOM 3411 C CYS B 81 6.680 -8.801 -35.112 1.00 50.67 C +ATOM 3412 O CYS B 81 5.730 -8.021 -34.978 1.00 50.67 O +ATOM 3413 CB CYS B 81 7.922 -9.937 -33.288 1.00 29.66 C +ATOM 3414 HB1 CYS B 81 8.728 -9.815 -32.564 1.00 0.00 H +ATOM 3415 HB2 CYS B 81 8.113 -10.821 -33.897 1.00 0.00 H +ATOM 3416 SG CYS B 81 6.374 -10.182 -32.389 1.00 29.66 S +ATOM 3417 HG CYS B 81 6.122 -9.077 -31.601 1.00 0.00 H +ATOM 3418 N ARG B 82 6.743 -9.708 -36.082 1.00 46.87 N +ATOM 3419 H ARG B 82 7.613 -10.264 -36.204 1.00 0.00 H +ATOM 3420 CA ARG B 82 5.621 -9.937 -36.974 1.00 46.87 C +ATOM 3421 HA ARG B 82 4.817 -9.217 -36.822 1.00 0.00 H +ATOM 3422 C ARG B 82 5.239 -11.370 -36.669 1.00 46.87 C +ATOM 3423 O ARG B 82 6.074 -12.271 -36.759 1.00 46.87 O +ATOM 3424 CB ARG B 82 6.009 -9.793 -38.440 1.00137.45 C +ATOM 3425 HB1 ARG B 82 6.451 -8.808 -38.593 1.00 0.00 H +ATOM 3426 HB2 ARG B 82 6.741 -10.561 -38.689 1.00 0.00 H +ATOM 3427 CG ARG B 82 4.810 -9.942 -39.356 1.00137.45 C +ATOM 3428 HG1 ARG B 82 4.332 -10.900 -39.154 1.00 0.00 H +ATOM 3429 HG2 ARG B 82 4.107 -9.135 -39.147 1.00 0.00 H +ATOM 3430 CD ARG B 82 5.191 -9.888 -40.813 1.00137.45 C +ATOM 3431 HD1 ARG B 82 5.983 -10.613 -41.000 1.00 0.00 H +ATOM 3432 HD2 ARG B 82 5.553 -8.887 -41.049 1.00 0.00 H +ATOM 3433 NE ARG B 82 4.051 -10.197 -41.672 1.00137.45 N +ATOM 3434 HE ARG B 82 3.661 -9.429 -42.254 1.00 0.00 H +ATOM 3435 CZ ARG B 82 3.478 -11.394 -41.760 1.00137.45 C +ATOM 3436 NH1 ARG B 82 3.927 -12.414 -41.036 1.00137.45 N +ATOM 3437 1HH1 ARG B 82 4.734 -12.280 -40.393 1.00 0.00 H +ATOM 3438 2HH1 ARG B 82 3.472 -13.346 -41.112 1.00 0.00 H +ATOM 3439 NH2 ARG B 82 2.467 -11.581 -42.598 1.00137.45 N +ATOM 3440 1HH2 ARG B 82 2.125 -10.793 -43.184 1.00 0.00 H +ATOM 3441 2HH2 ARG B 82 2.017 -12.516 -42.669 1.00 0.00 H +ATOM 3442 N SER B 83 3.990 -11.575 -36.277 1.00 41.81 N +ATOM 3443 H SER B 83 3.331 -10.771 -36.232 1.00 0.00 H +ATOM 3444 CA SER B 83 3.524 -12.898 -35.910 1.00 41.81 C +ATOM 3445 HA SER B 83 4.368 -13.579 -36.021 1.00 0.00 H +ATOM 3446 C SER B 83 2.438 -13.447 -36.824 1.00 41.81 C +ATOM 3447 O SER B 83 1.639 -12.685 -37.352 1.00 41.81 O +ATOM 3448 CB SER B 83 3.035 -12.862 -34.464 1.00 60.25 C +ATOM 3449 HB1 SER B 83 3.895 -12.810 -33.796 1.00 0.00 H +ATOM 3450 HB2 SER B 83 2.468 -13.769 -34.255 1.00 0.00 H +ATOM 3451 OG SER B 83 2.209 -11.737 -34.246 1.00 60.25 O +ATOM 3452 HG SER B 83 1.903 -11.731 -33.305 1.00 0.00 H +ATOM 3453 N LEU B 84 2.386 -14.773 -36.968 1.00 50.09 N +ATOM 3454 H LEU B 84 3.069 -15.358 -36.447 1.00 0.00 H +ATOM 3455 CA LEU B 84 1.406 -15.437 -37.830 1.00 50.09 C +ATOM 3456 HA LEU B 84 0.744 -14.666 -38.224 1.00 0.00 H +ATOM 3457 C LEU B 84 0.530 -16.436 -37.061 1.00 50.09 C +ATOM 3458 O LEU B 84 0.930 -17.579 -36.816 1.00 50.09 O +ATOM 3459 CB LEU B 84 2.125 -16.147 -38.985 1.00 32.91 C +ATOM 3460 HB1 LEU B 84 2.636 -15.383 -39.571 1.00 0.00 H +ATOM 3461 HB2 LEU B 84 2.862 -16.820 -38.546 1.00 0.00 H +ATOM 3462 CG LEU B 84 1.270 -16.971 -39.952 1.00 32.91 C +ATOM 3463 HG LEU B 84 0.619 -17.630 -39.377 1.00 0.00 H +ATOM 3464 CD1 LEU B 84 0.395 -16.067 -40.798 1.00 32.91 C +ATOM 3465 1HD1 LEU B 84 -0.264 -15.490 -40.149 1.00 0.00 H +ATOM 3466 2HD1 LEU B 84 1.025 -15.389 -41.374 1.00 0.00 H +ATOM 3467 3HD1 LEU B 84 -0.203 -16.674 -41.477 1.00 0.00 H +ATOM 3468 CD2 LEU B 84 2.166 -17.792 -40.829 1.00 32.91 C +ATOM 3469 1HD2 LEU B 84 2.823 -17.132 -41.394 1.00 0.00 H +ATOM 3470 2HD2 LEU B 84 2.765 -18.460 -40.210 1.00 0.00 H +ATOM 3471 3HD2 LEU B 84 1.559 -18.379 -41.518 1.00 0.00 H +ATOM 3472 N PRO B 85 -0.694 -16.018 -36.701 1.00 34.48 N +ATOM 3473 CA PRO B 85 -1.661 -16.839 -35.961 1.00 34.48 C +ATOM 3474 HA PRO B 85 -1.211 -17.424 -35.159 1.00 0.00 H +ATOM 3475 C PRO B 85 -2.324 -17.862 -36.869 1.00 34.48 C +ATOM 3476 O PRO B 85 -2.720 -17.539 -37.984 1.00 34.48 O +ATOM 3477 CB PRO B 85 -2.659 -15.808 -35.467 1.00 25.61 C +ATOM 3478 HB1 PRO B 85 -3.641 -16.254 -35.311 1.00 0.00 H +ATOM 3479 HB2 PRO B 85 -2.321 -15.345 -34.540 1.00 0.00 H +ATOM 3480 CG PRO B 85 -2.687 -14.809 -36.596 1.00 25.61 C +ATOM 3481 HG1 PRO B 85 -3.291 -15.177 -37.425 1.00 0.00 H +ATOM 3482 HG2 PRO B 85 -3.082 -13.851 -36.258 1.00 0.00 H +ATOM 3483 CD PRO B 85 -1.244 -14.681 -36.999 1.00 25.61 C +ATOM 3484 HD1 PRO B 85 -0.741 -13.911 -36.414 1.00 0.00 H +ATOM 3485 HD2 PRO B 85 -1.153 -14.447 -38.060 1.00 0.00 H +ATOM 3486 N THR B 86 -2.457 -19.093 -36.381 1.00 33.06 N +ATOM 3487 H THR B 86 -2.125 -19.292 -35.416 1.00 0.00 H +ATOM 3488 CA THR B 86 -3.054 -20.171 -37.160 1.00 33.06 C +ATOM 3489 HA THR B 86 -3.668 -19.716 -37.938 1.00 0.00 H +ATOM 3490 C THR B 86 -3.889 -21.062 -36.249 1.00 33.06 C +ATOM 3491 O THR B 86 -3.521 -21.269 -35.104 1.00 33.06 O +ATOM 3492 CB THR B 86 -1.956 -21.065 -37.803 1.00 53.02 C +ATOM 3493 HB THR B 86 -2.353 -21.450 -38.743 1.00 0.00 H +ATOM 3494 OG1 THR B 86 -1.622 -22.149 -36.924 1.00 53.02 O +ATOM 3495 HG1 THR B 86 -2.429 -22.697 -36.756 1.00 0.00 H +ATOM 3496 CG2 THR B 86 -0.687 -20.260 -38.078 1.00 53.02 C +ATOM 3497 1HG2 THR B 86 -0.294 -19.872 -37.138 1.00 0.00 H +ATOM 3498 2HG2 THR B 86 0.057 -20.905 -38.546 1.00 0.00 H +ATOM 3499 3HG2 THR B 86 -0.922 -19.431 -38.745 1.00 0.00 H +ATOM 3500 N TRP B 87 -5.017 -21.576 -36.734 1.00 37.17 N +ATOM 3501 H TRP B 87 -5.327 -21.336 -37.697 1.00 0.00 H +ATOM 3502 CA TRP B 87 -5.816 -22.476 -35.913 1.00 37.17 C +ATOM 3503 HA TRP B 87 -5.986 -22.041 -34.928 1.00 0.00 H +ATOM 3504 C TRP B 87 -5.035 -23.779 -35.872 1.00 37.17 C +ATOM 3505 O TRP B 87 -4.708 -24.332 -36.918 1.00 37.17 O +ATOM 3506 CB TRP B 87 -7.195 -22.741 -36.524 1.00 44.10 C +ATOM 3507 HB1 TRP B 87 -7.056 -23.045 -37.562 1.00 0.00 H +ATOM 3508 HB2 TRP B 87 -7.664 -23.553 -35.969 1.00 0.00 H +ATOM 3509 CG TRP B 87 -8.116 -21.563 -36.500 1.00 44.10 C +ATOM 3510 CD1 TRP B 87 -8.453 -20.776 -37.555 1.00 44.10 C +ATOM 3511 HD1 TRP B 87 -8.093 -20.915 -38.575 1.00 0.00 H +ATOM 3512 CD2 TRP B 87 -8.813 -21.025 -35.365 1.00 44.10 C +ATOM 3513 NE1 TRP B 87 -9.312 -19.779 -37.155 1.00 44.10 N +ATOM 3514 HE1 TRP B 87 -9.718 -19.047 -37.772 1.00 0.00 H +ATOM 3515 CE2 TRP B 87 -9.546 -19.907 -35.814 1.00 44.10 C +ATOM 3516 CE3 TRP B 87 -8.882 -21.375 -34.014 1.00 44.10 C +ATOM 3517 HE3 TRP B 87 -8.328 -22.232 -33.631 1.00 0.00 H +ATOM 3518 CZ2 TRP B 87 -10.335 -19.139 -34.971 1.00 44.10 C +ATOM 3519 HZ2 TRP B 87 -10.894 -18.280 -35.343 1.00 0.00 H +ATOM 3520 CZ3 TRP B 87 -9.668 -20.610 -33.175 1.00 44.10 C +ATOM 3521 HZ3 TRP B 87 -9.734 -20.871 -32.119 1.00 0.00 H +ATOM 3522 CH2 TRP B 87 -10.383 -19.503 -33.658 1.00 44.10 C +ATOM 3523 HH2 TRP B 87 -10.991 -18.920 -32.967 1.00 0.00 H +ATOM 3524 N GLU B 88 -4.612 -24.187 -34.679 1.00 32.74 N +ATOM 3525 H GLU B 88 -4.797 -23.599 -33.841 1.00 0.00 H +ATOM 3526 CA GLU B 88 -3.894 -25.443 -34.529 1.00 32.74 C +ATOM 3527 HA GLU B 88 -3.215 -25.610 -35.365 1.00 0.00 H +ATOM 3528 C GLU B 88 -4.974 -26.504 -34.421 1.00 32.74 C +ATOM 3529 O GLU B 88 -4.806 -27.616 -34.907 1.00 32.74 O +ATOM 3530 CB GLU B 88 -3.045 -25.451 -33.266 1.00 60.00 C +ATOM 3531 HB1 GLU B 88 -2.388 -24.581 -33.284 1.00 0.00 H +ATOM 3532 HB2 GLU B 88 -3.707 -25.387 -32.402 1.00 0.00 H +ATOM 3533 CG GLU B 88 -2.192 -26.698 -33.130 1.00 60.00 C +ATOM 3534 HG1 GLU B 88 -2.786 -27.560 -33.435 1.00 0.00 H +ATOM 3535 HG2 GLU B 88 -1.329 -26.602 -33.789 1.00 0.00 H +ATOM 3536 CD GLU B 88 -1.695 -26.929 -31.711 1.00 60.00 C +ATOM 3537 OE1 GLU B 88 -0.719 -26.265 -31.290 1.00 60.00 O +ATOM 3538 OE2 GLU B 88 -2.280 -27.785 -31.013 1.00 60.00 O +ATOM 3539 N ASN B 89 -6.077 -26.136 -33.771 1.00 20.75 N +ATOM 3540 H ASN B 89 -6.114 -25.170 -33.387 1.00 0.00 H +ATOM 3541 CA ASN B 89 -7.237 -26.998 -33.562 1.00 20.75 C +ATOM 3542 HA ASN B 89 -7.228 -27.794 -34.307 1.00 0.00 H +ATOM 3543 C ASN B 89 -8.466 -26.107 -33.643 1.00 20.75 C +ATOM 3544 O ASN B 89 -8.358 -24.887 -33.794 1.00 20.75 O +ATOM 3545 CB ASN B 89 -7.229 -27.630 -32.173 1.00 65.09 C +ATOM 3546 HB1 ASN B 89 -7.203 -26.834 -31.429 1.00 0.00 H +ATOM 3547 HB2 ASN B 89 -8.143 -28.211 -32.050 1.00 0.00 H +ATOM 3548 CG ASN B 89 -6.051 -28.537 -31.945 1.00 65.09 C +ATOM 3549 OD1 ASN B 89 -5.384 -28.966 -32.884 1.00 65.09 O +ATOM 3550 ND2 ASN B 89 -5.791 -28.851 -30.682 1.00 65.09 N +ATOM 3551 1HD2 ASN B 89 -4.997 -29.483 -30.456 1.00 0.00 H +ATOM 3552 2HD2 ASN B 89 -6.382 -28.465 -29.918 1.00 0.00 H +ATOM 3553 N GLU B 90 -9.630 -26.711 -33.444 1.00 36.45 N +ATOM 3554 H GLU B 90 -9.637 -27.731 -33.242 1.00 0.00 H +ATOM 3555 CA GLU B 90 -10.895 -26.000 -33.498 1.00 36.45 C +ATOM 3556 HA GLU B 90 -11.006 -25.590 -34.502 1.00 0.00 H +ATOM 3557 C GLU B 90 -10.947 -24.805 -32.541 1.00 36.45 C +ATOM 3558 O GLU B 90 -11.459 -23.749 -32.899 1.00 36.45 O +ATOM 3559 CB GLU B 90 -12.031 -26.981 -33.198 1.00128.02 C +ATOM 3560 HB1 GLU B 90 -11.912 -27.846 -33.851 1.00 0.00 H +ATOM 3561 HB2 GLU B 90 -11.940 -27.296 -32.159 1.00 0.00 H +ATOM 3562 CG GLU B 90 -13.425 -26.429 -33.400 1.00128.02 C +ATOM 3563 HG1 GLU B 90 -13.609 -25.658 -32.652 1.00 0.00 H +ATOM 3564 HG2 GLU B 90 -13.487 -25.989 -34.396 1.00 0.00 H +ATOM 3565 CD GLU B 90 -14.492 -27.499 -33.271 1.00128.02 C +ATOM 3566 OE1 GLU B 90 -14.356 -28.376 -32.389 1.00128.02 O +ATOM 3567 OE2 GLU B 90 -15.465 -27.466 -34.057 1.00128.02 O +ATOM 3568 N ASN B 91 -10.380 -24.968 -31.345 1.00 39.12 N +ATOM 3569 H ASN B 91 -9.924 -25.876 -31.125 1.00 0.00 H +ATOM 3570 CA ASN B 91 -10.378 -23.910 -30.331 1.00 39.12 C +ATOM 3571 HA ASN B 91 -10.694 -23.009 -30.857 1.00 0.00 H +ATOM 3572 C ASN B 91 -9.004 -23.600 -29.751 1.00 39.12 C +ATOM 3573 O ASN B 91 -8.850 -23.374 -28.554 1.00 39.12 O +ATOM 3574 CB ASN B 91 -11.373 -24.228 -29.201 1.00 86.77 C +ATOM 3575 HB1 ASN B 91 -11.036 -23.730 -28.292 1.00 0.00 H +ATOM 3576 HB2 ASN B 91 -12.353 -23.843 -29.483 1.00 0.00 H +ATOM 3577 CG ASN B 91 -11.501 -25.715 -28.918 1.00 86.77 C +ATOM 3578 OD1 ASN B 91 -12.610 -26.255 -28.929 1.00 86.77 O +ATOM 3579 ND2 ASN B 91 -10.377 -26.380 -28.650 1.00 86.77 N +ATOM 3580 1HD2 ASN B 91 -10.413 -27.398 -28.438 1.00 0.00 H +ATOM 3581 2HD2 ASN B 91 -9.464 -25.881 -28.653 1.00 0.00 H +ATOM 3582 N LYS B 92 -8.007 -23.575 -30.616 1.00 41.48 N +ATOM 3583 H LYS B 92 -8.197 -23.772 -31.619 1.00 0.00 H +ATOM 3584 CA LYS B 92 -6.658 -23.279 -30.195 1.00 41.48 C +ATOM 3585 HA LYS B 92 -6.703 -22.605 -29.340 1.00 0.00 H +ATOM 3586 C LYS B 92 -5.897 -22.596 -31.324 1.00 41.48 C +ATOM 3587 O LYS B 92 -5.801 -23.127 -32.435 1.00 41.48 O +ATOM 3588 CB LYS B 92 -5.935 -24.549 -29.762 1.00 17.35 C +ATOM 3589 HB1 LYS B 92 -6.430 -24.950 -28.877 1.00 0.00 H +ATOM 3590 HB2 LYS B 92 -5.992 -25.278 -30.570 1.00 0.00 H +ATOM 3591 CG LYS B 92 -4.479 -24.299 -29.434 1.00 17.35 C +ATOM 3592 HG1 LYS B 92 -3.972 -23.952 -30.334 1.00 0.00 H +ATOM 3593 HG2 LYS B 92 -4.421 -23.529 -28.665 1.00 0.00 H +ATOM 3594 CD LYS B 92 -3.786 -25.529 -28.936 1.00 17.35 C +ATOM 3595 HD1 LYS B 92 -4.268 -25.868 -28.019 1.00 0.00 H +ATOM 3596 HD2 LYS B 92 -3.855 -26.312 -29.691 1.00 0.00 H +ATOM 3597 CE LYS B 92 -2.337 -25.234 -28.656 1.00 17.35 C +ATOM 3598 HE1 LYS B 92 -2.262 -24.543 -27.817 1.00 0.00 H +ATOM 3599 HE2 LYS B 92 -1.881 -24.784 -29.538 1.00 0.00 H +ATOM 3600 NZ LYS B 92 -1.628 -26.501 -28.321 1.00 17.35 N +ATOM 3601 HZ1 LYS B 92 -2.064 -26.929 -27.479 1.00 0.00 H +ATOM 3602 HZ2 LYS B 92 -1.700 -27.159 -29.123 1.00 0.00 H +ATOM 3603 HZ3 LYS B 92 -0.627 -26.296 -28.128 1.00 0.00 H +ATOM 3604 N ILE B 93 -5.364 -21.417 -31.014 1.00 38.24 N +ATOM 3605 H ILE B 93 -5.495 -21.060 -30.046 1.00 0.00 H +ATOM 3606 CA ILE B 93 -4.609 -20.597 -31.949 1.00 38.24 C +ATOM 3607 HA ILE B 93 -4.818 -20.941 -32.962 1.00 0.00 H +ATOM 3608 C ILE B 93 -3.131 -20.707 -31.609 1.00 38.24 C +ATOM 3609 O ILE B 93 -2.757 -20.619 -30.451 1.00 38.24 O +ATOM 3610 CB ILE B 93 -5.005 -19.102 -31.800 1.00 31.56 C +ATOM 3611 HB ILE B 93 -4.607 -18.740 -30.852 1.00 0.00 H +ATOM 3612 CG1 ILE B 93 -6.524 -18.949 -31.782 1.00 31.56 C +ATOM 3613 1HG1 ILE B 93 -6.909 -19.232 -32.762 1.00 0.00 H +ATOM 3614 2HG1 ILE B 93 -6.928 -19.623 -31.026 1.00 0.00 H +ATOM 3615 CG2 ILE B 93 -4.405 -18.269 -32.922 1.00 31.56 C +ATOM 3616 1HG2 ILE B 93 -3.318 -18.350 -32.892 1.00 0.00 H +ATOM 3617 2HG2 ILE B 93 -4.771 -18.636 -33.881 1.00 0.00 H +ATOM 3618 3HG2 ILE B 93 -4.697 -17.227 -32.795 1.00 0.00 H +ATOM 3619 CD1 ILE B 93 -6.994 -17.554 -31.473 1.00 31.56 C +ATOM 3620 1HD1 ILE B 93 -6.628 -17.258 -30.490 1.00 0.00 H +ATOM 3621 2HD1 ILE B 93 -6.609 -16.867 -32.227 1.00 0.00 H +ATOM 3622 3HD1 ILE B 93 -8.084 -17.529 -31.479 1.00 0.00 H +ATOM 3623 N HIS B 94 -2.297 -20.958 -32.604 1.00 37.72 N +ATOM 3624 H HIS B 94 -2.672 -21.113 -33.561 1.00 0.00 H +ATOM 3625 CA HIS B 94 -0.871 -21.020 -32.379 1.00 37.72 C +ATOM 3626 HA HIS B 94 -0.626 -21.013 -31.317 1.00 0.00 H +ATOM 3627 C HIS B 94 -0.320 -19.821 -33.123 1.00 37.72 C +ATOM 3628 O HIS B 94 -0.590 -19.654 -34.311 1.00 37.72 O +ATOM 3629 CB HIS B 94 -0.284 -22.296 -32.954 1.00 37.16 C +ATOM 3630 HB1 HIS B 94 -0.729 -23.146 -32.436 1.00 0.00 H +ATOM 3631 HB2 HIS B 94 -0.535 -22.346 -34.014 1.00 0.00 H +ATOM 3632 CG HIS B 94 1.202 -22.380 -32.814 1.00 37.16 C +ATOM 3633 ND1 HIS B 94 1.816 -23.176 -31.869 1.00 37.16 N +ATOM 3634 CD2 HIS B 94 2.200 -21.740 -33.472 1.00 37.16 C +ATOM 3635 HD2 HIS B 94 2.084 -21.030 -34.291 1.00 0.00 H +ATOM 3636 CE1 HIS B 94 3.127 -23.022 -31.949 1.00 37.16 C +ATOM 3637 HE1 HIS B 94 3.868 -23.524 -31.327 1.00 0.00 H +ATOM 3638 NE2 HIS B 94 3.385 -22.155 -32.913 1.00 37.16 N +ATOM 3639 N CYS B 95 0.477 -19.001 -32.448 1.00 28.02 N +ATOM 3640 H CYS B 95 0.716 -19.217 -31.459 1.00 0.00 H +ATOM 3641 CA CYS B 95 1.021 -17.805 -33.073 1.00 28.02 C +ATOM 3642 HA CYS B 95 0.740 -17.828 -34.126 1.00 0.00 H +ATOM 3643 C CYS B 95 2.530 -17.765 -33.013 1.00 28.02 C +ATOM 3644 O CYS B 95 3.111 -17.670 -31.938 1.00 28.02 O +ATOM 3645 CB CYS B 95 0.437 -16.565 -32.412 1.00 33.29 C +ATOM 3646 HB1 CYS B 95 0.748 -16.564 -31.367 1.00 0.00 H +ATOM 3647 HB2 CYS B 95 -0.649 -16.636 -32.466 1.00 0.00 H +ATOM 3648 SG CYS B 95 0.926 -14.989 -33.137 1.00 33.29 S +ATOM 3649 HG CYS B 95 0.326 -13.959 -32.442 1.00 0.00 H +ATOM 3650 N THR B 96 3.150 -17.876 -34.182 1.00 40.85 N +ATOM 3651 H THR B 96 2.571 -17.980 -35.040 1.00 0.00 H +ATOM 3652 CA THR B 96 4.596 -17.859 -34.324 1.00 40.85 C +ATOM 3653 HA THR B 96 5.044 -18.393 -33.486 1.00 0.00 H +ATOM 3654 C THR B 96 5.051 -16.424 -34.377 1.00 40.85 C +ATOM 3655 O THR B 96 4.426 -15.618 -35.044 1.00 40.85 O +ATOM 3656 CB THR B 96 4.998 -18.513 -35.628 1.00 59.09 C +ATOM 3657 HB THR B 96 4.433 -18.056 -36.440 1.00 0.00 H +ATOM 3658 OG1 THR B 96 4.711 -19.910 -35.555 1.00 59.09 O +ATOM 3659 HG1 THR B 96 4.972 -20.344 -36.406 1.00 0.00 H +ATOM 3660 CG2 THR B 96 6.472 -18.306 -35.908 1.00 59.09 C +ATOM 3661 1HG2 THR B 96 7.059 -18.754 -35.106 1.00 0.00 H +ATOM 3662 2HG2 THR B 96 6.730 -18.778 -36.856 1.00 0.00 H +ATOM 3663 3HG2 THR B 96 6.684 -17.238 -35.962 1.00 0.00 H +ATOM 3664 N GLN B 97 6.155 -16.104 -33.715 1.00 40.11 N +ATOM 3665 H GLN B 97 6.672 -16.835 -33.186 1.00 0.00 H +ATOM 3666 CA GLN B 97 6.646 -14.737 -33.725 1.00 40.11 C +ATOM 3667 HA GLN B 97 6.011 -14.205 -34.434 1.00 0.00 H +ATOM 3668 C GLN B 97 8.094 -14.622 -34.178 1.00 40.11 C +ATOM 3669 O GLN B 97 8.937 -15.432 -33.783 1.00 40.11 O +ATOM 3670 CB GLN B 97 6.566 -14.134 -32.329 1.00 39.23 C +ATOM 3671 HB1 GLN B 97 7.214 -14.721 -31.679 1.00 0.00 H +ATOM 3672 HB2 GLN B 97 6.943 -13.113 -32.389 1.00 0.00 H +ATOM 3673 CG GLN B 97 5.211 -14.080 -31.689 1.00 39.23 C +ATOM 3674 HG1 GLN B 97 4.526 -13.544 -32.346 1.00 0.00 H +ATOM 3675 HG2 GLN B 97 4.846 -15.096 -31.538 1.00 0.00 H +ATOM 3676 CD GLN B 97 5.275 -13.370 -30.351 1.00 39.23 C +ATOM 3677 OE1 GLN B 97 6.312 -13.364 -29.688 1.00 39.23 O +ATOM 3678 NE2 GLN B 97 4.168 -12.767 -29.944 1.00 39.23 N +ATOM 3679 1HE2 GLN B 97 4.154 -12.265 -29.034 1.00 0.00 H +ATOM 3680 2HE2 GLN B 97 3.313 -12.796 -30.535 1.00 0.00 H +ATOM 3681 N THR B 98 8.385 -13.604 -34.988 1.00 49.18 N +ATOM 3682 H THR B 98 7.620 -12.976 -35.308 1.00 0.00 H +ATOM 3683 CA THR B 98 9.755 -13.348 -35.438 1.00 49.18 C +ATOM 3684 HA THR B 98 10.406 -13.996 -34.851 1.00 0.00 H +ATOM 3685 C THR B 98 10.089 -11.869 -35.211 1.00 49.18 C +ATOM 3686 O THR B 98 9.327 -10.979 -35.593 1.00 49.18 O +ATOM 3687 CB THR B 98 10.000 -13.709 -36.923 1.00 40.63 C +ATOM 3688 HB THR B 98 11.045 -13.506 -37.156 1.00 0.00 H +ATOM 3689 OG1 THR B 98 9.151 -12.918 -37.752 1.00 40.63 O +ATOM 3690 HG1 THR B 98 9.351 -11.959 -37.608 1.00 0.00 H +ATOM 3691 CG2 THR B 98 9.730 -15.174 -37.181 1.00 40.63 C +ATOM 3692 1HG2 THR B 98 8.688 -15.396 -36.952 1.00 0.00 H +ATOM 3693 2HG2 THR B 98 9.930 -15.400 -38.228 1.00 0.00 H +ATOM 3694 3HG2 THR B 98 10.379 -15.779 -36.547 1.00 0.00 H +ATOM 3695 N LEU B 99 11.220 -11.632 -34.554 1.00 62.86 N +ATOM 3696 H LEU B 99 11.796 -12.443 -34.250 1.00 0.00 H +ATOM 3697 CA LEU B 99 11.689 -10.293 -34.241 1.00 62.86 C +ATOM 3698 HA LEU B 99 10.850 -9.743 -33.814 1.00 0.00 H +ATOM 3699 C LEU B 99 12.174 -9.582 -35.483 1.00 62.86 C +ATOM 3700 O LEU B 99 12.887 -10.155 -36.307 1.00 62.86 O +ATOM 3701 CB LEU B 99 12.842 -10.358 -33.242 1.00 73.59 C +ATOM 3702 HB1 LEU B 99 13.655 -10.907 -33.717 1.00 0.00 H +ATOM 3703 HB2 LEU B 99 13.162 -9.335 -33.046 1.00 0.00 H +ATOM 3704 CG LEU B 99 12.569 -11.019 -31.893 1.00 73.59 C +ATOM 3705 HG LEU B 99 12.122 -11.999 -32.058 1.00 0.00 H +ATOM 3706 CD1 LEU B 99 13.861 -11.218 -31.134 1.00 73.59 C +ATOM 3707 1HD1 LEU B 99 14.527 -11.856 -31.715 1.00 0.00 H +ATOM 3708 2HD1 LEU B 99 14.336 -10.251 -30.967 1.00 0.00 H +ATOM 3709 3HD1 LEU B 99 13.648 -11.690 -30.175 1.00 0.00 H +ATOM 3710 CD2 LEU B 99 11.598 -10.173 -31.096 1.00 73.59 C +ATOM 3711 1HD2 LEU B 99 12.028 -9.184 -30.934 1.00 0.00 H +ATOM 3712 2HD2 LEU B 99 10.663 -10.078 -31.648 1.00 0.00 H +ATOM 3713 3HD2 LEU B 99 11.407 -10.650 -30.135 1.00 0.00 H +ATOM 3714 N LEU B 100 11.797 -8.321 -35.605 1.00 59.49 N +ATOM 3715 H LEU B 100 11.186 -7.900 -34.876 1.00 0.00 H +ATOM 3716 CA LEU B 100 12.218 -7.511 -36.735 1.00 59.49 C +ATOM 3717 HA LEU B 100 12.289 -8.119 -37.637 1.00 0.00 H +ATOM 3718 C LEU B 100 13.578 -6.895 -36.379 1.00 59.49 C +ATOM 3719 O LEU B 100 14.255 -6.313 -37.231 1.00 59.49 O +ATOM 3720 CB LEU B 100 11.203 -6.390 -36.972 1.00 23.89 C +ATOM 3721 HB1 LEU B 100 11.424 -5.601 -36.254 1.00 0.00 H +ATOM 3722 HB2 LEU B 100 11.369 -6.017 -37.983 1.00 0.00 H +ATOM 3723 CG LEU B 100 9.706 -6.705 -36.848 1.00 23.89 C +ATOM 3724 HG LEU B 100 9.536 -7.221 -35.903 1.00 0.00 H +ATOM 3725 CD1 LEU B 100 8.903 -5.403 -36.849 1.00 23.89 C +ATOM 3726 1HD1 LEU B 100 9.214 -4.785 -36.006 1.00 0.00 H +ATOM 3727 2HD1 LEU B 100 9.084 -4.867 -37.781 1.00 0.00 H +ATOM 3728 3HD1 LEU B 100 7.841 -5.632 -36.761 1.00 0.00 H +ATOM 3729 CD2 LEU B 100 9.242 -7.639 -37.955 1.00 23.89 C +ATOM 3730 1HD2 LEU B 100 9.418 -7.169 -38.923 1.00 0.00 H +ATOM 3731 2HD2 LEU B 100 9.799 -8.574 -37.897 1.00 0.00 H +ATOM 3732 3HD2 LEU B 100 8.177 -7.841 -37.836 1.00 0.00 H +ATOM 3733 N GLU B 101 13.970 -7.050 -35.113 1.00 96.19 N +ATOM 3734 H GLU B 101 13.361 -7.593 -34.468 1.00 0.00 H +ATOM 3735 CA GLU B 101 15.215 -6.493 -34.590 1.00 96.19 C +ATOM 3736 HA GLU B 101 15.587 -5.843 -35.382 1.00 0.00 H +ATOM 3737 C GLU B 101 16.361 -7.483 -34.355 1.00 96.19 C +ATOM 3738 O GLU B 101 16.832 -7.650 -33.225 1.00 96.19 O +ATOM 3739 CB GLU B 101 14.918 -5.718 -33.303 1.00224.20 C +ATOM 3740 HB1 GLU B 101 14.569 -6.423 -32.548 1.00 0.00 H +ATOM 3741 HB2 GLU B 101 15.841 -5.249 -32.962 1.00 0.00 H +ATOM 3742 CG GLU B 101 13.862 -4.634 -33.474 1.00224.20 C +ATOM 3743 HG1 GLU B 101 14.263 -3.857 -34.125 1.00 0.00 H +ATOM 3744 HG2 GLU B 101 12.981 -5.077 -33.939 1.00 0.00 H +ATOM 3745 CD GLU B 101 13.450 -4.000 -32.160 1.00224.20 C +ATOM 3746 OE1 GLU B 101 12.947 -4.727 -31.274 1.00224.20 O +ATOM 3747 OE2 GLU B 101 13.623 -2.771 -32.019 1.00224.20 O +ATOM 3748 N GLY B 102 16.777 -8.155 -35.425 1.00 92.33 N +ATOM 3749 H GLY B 102 16.288 -8.008 -36.331 1.00 0.00 H +ATOM 3750 CA GLY B 102 17.893 -9.089 -35.373 1.00 92.33 C +ATOM 3751 HA1 GLY B 102 18.004 -9.478 -36.385 1.00 0.00 H +ATOM 3752 HA2 GLY B 102 18.769 -8.493 -35.117 1.00 0.00 H +ATOM 3753 C GLY B 102 17.930 -10.301 -34.454 1.00 92.33 C +ATOM 3754 O GLY B 102 17.332 -11.336 -34.754 1.00 92.33 O +ATOM 3755 N ASP B 103 18.688 -10.179 -33.362 1.00 92.06 N +ATOM 3756 H ASP B 103 19.162 -9.269 -33.191 1.00 0.00 H +ATOM 3757 CA ASP B 103 18.889 -11.258 -32.390 1.00 92.06 C +ATOM 3758 HA ASP B 103 18.847 -12.160 -33.001 1.00 0.00 H +ATOM 3759 C ASP B 103 17.809 -11.461 -31.336 1.00 92.06 C +ATOM 3760 O ASP B 103 17.176 -10.502 -30.880 1.00 92.06 O +ATOM 3761 CB ASP B 103 20.237 -11.075 -31.686 1.00156.86 C +ATOM 3762 HB1 ASP B 103 20.248 -10.099 -31.201 1.00 0.00 H +ATOM 3763 HB2 ASP B 103 20.345 -11.855 -30.932 1.00 0.00 H +ATOM 3764 CG ASP B 103 21.411 -11.156 -32.639 1.00156.86 C +ATOM 3765 OD1 ASP B 103 21.516 -12.166 -33.367 1.00156.86 O +ATOM 3766 OD2 ASP B 103 22.232 -10.214 -32.659 1.00156.86 O +ATOM 3767 N GLY B 104 17.651 -12.717 -30.913 1.00 78.73 N +ATOM 3768 H GLY B 104 18.247 -13.467 -31.318 1.00 0.00 H +ATOM 3769 CA GLY B 104 16.666 -13.065 -29.900 1.00 78.73 C +ATOM 3770 HA1 GLY B 104 17.032 -12.715 -28.935 1.00 0.00 H +ATOM 3771 HA2 GLY B 104 15.735 -12.553 -30.141 1.00 0.00 H +ATOM 3772 C GLY B 104 16.372 -14.555 -29.784 1.00 78.73 C +ATOM 3773 O GLY B 104 17.059 -15.370 -30.402 1.00 78.73 O +ATOM 3774 N PRO B 105 15.390 -14.948 -28.948 1.00 71.30 N +ATOM 3775 CA PRO B 105 15.013 -16.350 -28.756 1.00 71.30 C +ATOM 3776 HA PRO B 105 15.757 -17.057 -29.123 1.00 0.00 H +ATOM 3777 C PRO B 105 13.728 -16.653 -29.507 1.00 71.30 C +ATOM 3778 O PRO B 105 12.863 -15.788 -29.638 1.00 71.30 O +ATOM 3779 CB PRO B 105 14.790 -16.443 -27.241 1.00 34.93 C +ATOM 3780 HB1 PRO B 105 13.839 -16.931 -27.025 1.00 0.00 H +ATOM 3781 HB2 PRO B 105 15.599 -17.002 -26.771 1.00 0.00 H +ATOM 3782 CG PRO B 105 14.776 -14.980 -26.732 1.00 34.93 C +ATOM 3783 HG1 PRO B 105 13.908 -14.809 -26.096 1.00 0.00 H +ATOM 3784 HG2 PRO B 105 15.685 -14.767 -26.169 1.00 0.00 H +ATOM 3785 CD PRO B 105 14.705 -14.112 -27.953 1.00 34.93 C +ATOM 3786 HD1 PRO B 105 15.226 -13.167 -27.801 1.00 0.00 H +ATOM 3787 HD2 PRO B 105 13.673 -13.914 -28.242 1.00 0.00 H +ATOM 3788 N LYS B 106 13.599 -17.882 -29.995 1.00 49.92 N +ATOM 3789 H LYS B 106 14.367 -18.568 -29.852 1.00 0.00 H +ATOM 3790 CA LYS B 106 12.408 -18.290 -30.725 1.00 49.92 C +ATOM 3791 HA LYS B 106 12.296 -17.658 -31.606 1.00 0.00 H +ATOM 3792 C LYS B 106 11.182 -18.138 -29.822 1.00 49.92 C +ATOM 3793 O LYS B 106 10.962 -18.961 -28.928 1.00 49.92 O +ATOM 3794 CB LYS B 106 12.537 -19.749 -31.176 1.00161.12 C +ATOM 3795 HB1 LYS B 106 12.614 -20.376 -30.288 1.00 0.00 H +ATOM 3796 HB2 LYS B 106 11.638 -20.016 -31.731 1.00 0.00 H +ATOM 3797 CG LYS B 106 13.743 -20.026 -32.061 1.00161.12 C +ATOM 3798 HG1 LYS B 106 13.672 -19.410 -32.958 1.00 0.00 H +ATOM 3799 HG2 LYS B 106 14.649 -19.765 -31.514 1.00 0.00 H +ATOM 3800 CD LYS B 106 13.820 -21.492 -32.474 1.00161.12 C +ATOM 3801 HD1 LYS B 106 14.034 -22.099 -31.594 1.00 0.00 H +ATOM 3802 HD2 LYS B 106 12.862 -21.794 -32.898 1.00 0.00 H +ATOM 3803 CE LYS B 106 14.918 -21.713 -33.512 1.00161.12 C +ATOM 3804 HE1 LYS B 106 15.876 -21.448 -33.065 1.00 0.00 H +ATOM 3805 HE2 LYS B 106 14.724 -21.062 -34.365 1.00 0.00 H +ATOM 3806 NZ LYS B 106 14.995 -23.122 -33.998 1.00161.12 N +ATOM 3807 HZ1 LYS B 106 15.190 -23.754 -33.195 1.00 0.00 H +ATOM 3808 HZ2 LYS B 106 14.090 -23.386 -34.437 1.00 0.00 H +ATOM 3809 HZ3 LYS B 106 15.759 -23.204 -34.699 1.00 0.00 H +ATOM 3810 N THR B 107 10.406 -17.073 -30.015 1.00 30.98 N +ATOM 3811 H THR B 107 10.647 -16.379 -30.751 1.00 0.00 H +ATOM 3812 CA THR B 107 9.218 -16.881 -29.193 1.00 30.98 C +ATOM 3813 HA THR B 107 9.355 -17.548 -28.342 1.00 0.00 H +ATOM 3814 C THR B 107 7.924 -17.272 -29.922 1.00 30.98 C +ATOM 3815 O THR B 107 7.864 -17.300 -31.161 1.00 30.98 O +ATOM 3816 CB THR B 107 9.085 -15.429 -28.678 1.00 33.88 C +ATOM 3817 HB THR B 107 8.265 -15.399 -27.960 1.00 0.00 H +ATOM 3818 OG1 THR B 107 8.814 -14.553 -29.774 1.00 33.88 O +ATOM 3819 HG1 THR B 107 9.556 -14.604 -30.427 1.00 0.00 H +ATOM 3820 CG2 THR B 107 10.355 -14.975 -27.985 1.00 33.88 C +ATOM 3821 1HG2 THR B 107 11.184 -15.004 -28.693 1.00 0.00 H +ATOM 3822 2HG2 THR B 107 10.223 -13.957 -27.619 1.00 0.00 H +ATOM 3823 3HG2 THR B 107 10.568 -15.639 -27.147 1.00 0.00 H +ATOM 3824 N TYR B 108 6.898 -17.594 -29.134 1.00 31.63 N +ATOM 3825 H TYR B 108 7.039 -17.579 -28.104 1.00 0.00 H +ATOM 3826 CA TYR B 108 5.585 -17.967 -29.654 1.00 31.63 C +ATOM 3827 HA TYR B 108 5.352 -17.313 -30.494 1.00 0.00 H +ATOM 3828 C TYR B 108 4.526 -17.795 -28.562 1.00 31.63 C +ATOM 3829 O TYR B 108 4.844 -17.438 -27.417 1.00 31.63 O +ATOM 3830 CB TYR B 108 5.583 -19.421 -30.158 1.00 38.16 C +ATOM 3831 HB1 TYR B 108 4.663 -19.581 -30.721 1.00 0.00 H +ATOM 3832 HB2 TYR B 108 6.439 -19.549 -30.820 1.00 0.00 H +ATOM 3833 CG TYR B 108 5.663 -20.492 -29.072 1.00 38.16 C +ATOM 3834 CD1 TYR B 108 6.889 -20.927 -28.578 1.00 38.16 C +ATOM 3835 HD1 TYR B 108 7.806 -20.469 -28.949 1.00 0.00 H +ATOM 3836 CD2 TYR B 108 4.513 -21.097 -28.569 1.00 38.16 C +ATOM 3837 HD2 TYR B 108 3.537 -20.776 -28.933 1.00 0.00 H +ATOM 3838 CE1 TYR B 108 6.969 -21.933 -27.622 1.00 38.16 C +ATOM 3839 HE1 TYR B 108 7.940 -22.259 -27.250 1.00 0.00 H +ATOM 3840 CE2 TYR B 108 4.585 -22.102 -27.612 1.00 38.16 C +ATOM 3841 HE2 TYR B 108 3.673 -22.562 -27.230 1.00 0.00 H +ATOM 3842 CZ TYR B 108 5.818 -22.515 -27.148 1.00 38.16 C +ATOM 3843 OH TYR B 108 5.901 -23.535 -26.225 1.00 38.16 O +ATOM 3844 HH TYR B 108 6.851 -23.702 -26.004 1.00 0.00 H +ATOM 3845 N TRP B 109 3.270 -17.983 -28.940 1.00 33.84 N +ATOM 3846 H TRP B 109 3.065 -18.195 -29.937 1.00 0.00 H +ATOM 3847 CA TRP B 109 2.177 -17.900 -27.995 1.00 33.84 C +ATOM 3848 HA TRP B 109 2.499 -18.306 -27.036 1.00 0.00 H +ATOM 3849 C TRP B 109 1.017 -18.738 -28.506 1.00 33.84 C +ATOM 3850 O TRP B 109 0.887 -18.931 -29.712 1.00 33.84 O +ATOM 3851 CB TRP B 109 1.776 -16.438 -27.699 1.00 17.04 C +ATOM 3852 HB1 TRP B 109 1.125 -16.460 -26.825 1.00 0.00 H +ATOM 3853 HB2 TRP B 109 2.693 -15.902 -27.454 1.00 0.00 H +ATOM 3854 CG TRP B 109 1.063 -15.626 -28.757 1.00 17.04 C +ATOM 3855 CD1 TRP B 109 1.525 -14.471 -29.335 1.00 17.04 C +ATOM 3856 HD1 TRP B 109 2.534 -14.075 -29.216 1.00 0.00 H +ATOM 3857 CD2 TRP B 109 -0.304 -15.775 -29.214 1.00 17.04 C +ATOM 3858 NE1 TRP B 109 0.531 -13.882 -30.088 1.00 17.04 N +ATOM 3859 HE1 TRP B 109 0.622 -12.991 -30.616 1.00 0.00 H +ATOM 3860 CE2 TRP B 109 -0.598 -14.662 -30.028 1.00 17.04 C +ATOM 3861 CE3 TRP B 109 -1.304 -16.732 -29.002 1.00 17.04 C +ATOM 3862 HE3 TRP B 109 -1.110 -17.608 -28.383 1.00 0.00 H +ATOM 3863 CZ2 TRP B 109 -1.846 -14.483 -30.621 1.00 17.04 C +ATOM 3864 HZ2 TRP B 109 -2.053 -13.617 -31.249 1.00 0.00 H +ATOM 3865 CZ3 TRP B 109 -2.541 -16.549 -29.590 1.00 17.04 C +ATOM 3866 HZ3 TRP B 109 -3.326 -17.288 -29.429 1.00 0.00 H +ATOM 3867 CH2 TRP B 109 -2.802 -15.432 -30.387 1.00 17.04 C +ATOM 3868 HH2 TRP B 109 -3.790 -15.314 -30.832 1.00 0.00 H +ATOM 3869 N THR B 110 0.229 -19.320 -27.602 1.00 39.03 N +ATOM 3870 H THR B 110 0.420 -19.191 -26.588 1.00 0.00 H +ATOM 3871 CA THR B 110 -0.900 -20.137 -28.031 1.00 39.03 C +ATOM 3872 HA THR B 110 -1.173 -19.737 -29.007 1.00 0.00 H +ATOM 3873 C THR B 110 -2.094 -20.036 -27.089 1.00 39.03 C +ATOM 3874 O THR B 110 -2.051 -20.564 -25.984 1.00 39.03 O +ATOM 3875 CB THR B 110 -0.522 -21.649 -28.158 1.00 32.78 C +ATOM 3876 HB THR B 110 -1.272 -22.120 -28.793 1.00 0.00 H +ATOM 3877 OG1 THR B 110 -0.505 -22.253 -26.861 1.00 32.78 O +ATOM 3878 HG1 THR B 110 -1.401 -22.172 -26.449 1.00 0.00 H +ATOM 3879 CG2 THR B 110 0.854 -21.841 -28.804 1.00 32.78 C +ATOM 3880 1HG2 THR B 110 1.615 -21.368 -28.183 1.00 0.00 H +ATOM 3881 2HG2 THR B 110 1.067 -22.906 -28.893 1.00 0.00 H +ATOM 3882 3HG2 THR B 110 0.856 -21.385 -29.794 1.00 0.00 H +ATOM 3883 N ARG B 111 -3.156 -19.361 -27.522 1.00 35.58 N +ATOM 3884 H ARG B 111 -3.127 -18.904 -28.456 1.00 0.00 H +ATOM 3885 CA ARG B 111 -4.368 -19.252 -26.702 1.00 35.58 C +ATOM 3886 HA ARG B 111 -4.089 -19.320 -25.651 1.00 0.00 H +ATOM 3887 C ARG B 111 -5.317 -20.406 -27.059 1.00 35.58 C +ATOM 3888 O ARG B 111 -5.538 -20.696 -28.229 1.00 35.58 O +ATOM 3889 CB ARG B 111 -5.060 -17.895 -26.889 1.00 18.64 C +ATOM 3890 HB1 ARG B 111 -5.154 -17.703 -27.958 1.00 0.00 H +ATOM 3891 HB2 ARG B 111 -6.053 -17.953 -26.443 1.00 0.00 H +ATOM 3892 CG ARG B 111 -4.318 -16.722 -26.255 1.00 18.64 C +ATOM 3893 HG1 ARG B 111 -4.182 -16.920 -25.192 1.00 0.00 H +ATOM 3894 HG2 ARG B 111 -3.343 -16.618 -26.732 1.00 0.00 H +ATOM 3895 CD ARG B 111 -5.093 -15.426 -26.423 1.00 18.64 C +ATOM 3896 HD1 ARG B 111 -6.095 -15.576 -26.022 1.00 0.00 H +ATOM 3897 HD2 ARG B 111 -5.159 -15.206 -27.489 1.00 0.00 H +ATOM 3898 NE ARG B 111 -4.503 -14.260 -25.752 1.00 18.64 N +ATOM 3899 HE ARG B 111 -5.001 -13.883 -24.921 1.00 0.00 H +ATOM 3900 CZ ARG B 111 -3.377 -13.646 -26.125 1.00 18.64 C +ATOM 3901 NH1 ARG B 111 -2.653 -14.063 -27.157 1.00 18.64 N +ATOM 3902 1HH1 ARG B 111 -2.958 -14.893 -27.704 1.00 0.00 H +ATOM 3903 2HH1 ARG B 111 -1.781 -13.559 -27.418 1.00 0.00 H +ATOM 3904 NH2 ARG B 111 -3.033 -12.521 -25.529 1.00 18.64 N +ATOM 3905 1HH2 ARG B 111 -3.635 -12.124 -24.780 1.00 0.00 H +ATOM 3906 2HH2 ARG B 111 -2.159 -12.031 -25.808 1.00 0.00 H +ATOM 3907 N GLU B 112 -5.868 -21.068 -26.048 1.00 44.36 N +ATOM 3908 H GLU B 112 -5.655 -20.768 -25.075 1.00 0.00 H +ATOM 3909 CA GLU B 112 -6.762 -22.203 -26.256 1.00 44.36 C +ATOM 3910 HA GLU B 112 -7.204 -22.115 -27.248 1.00 0.00 H +ATOM 3911 C GLU B 112 -7.912 -22.226 -25.255 1.00 44.36 C +ATOM 3912 O GLU B 112 -7.683 -22.086 -24.057 1.00 44.36 O +ATOM 3913 CB GLU B 112 -5.947 -23.484 -26.129 1.00 68.83 C +ATOM 3914 HB1 GLU B 112 -5.431 -23.652 -27.075 1.00 0.00 H +ATOM 3915 HB2 GLU B 112 -5.213 -23.340 -25.337 1.00 0.00 H +ATOM 3916 CG GLU B 112 -6.745 -24.720 -25.807 1.00 68.83 C +ATOM 3917 HG1 GLU B 112 -7.358 -24.521 -24.928 1.00 0.00 H +ATOM 3918 HG2 GLU B 112 -7.391 -24.950 -26.655 1.00 0.00 H +ATOM 3919 CD GLU B 112 -5.867 -25.922 -25.525 1.00 68.83 C +ATOM 3920 OE1 GLU B 112 -4.623 -25.810 -25.614 1.00 68.83 O +ATOM 3921 OE2 GLU B 112 -6.426 -26.991 -25.212 1.00 68.83 O +ATOM 3922 N LEU B 113 -9.137 -22.420 -25.745 1.00 38.88 N +ATOM 3923 H LEU B 113 -9.254 -22.541 -26.771 1.00 0.00 H +ATOM 3924 CA LEU B 113 -10.324 -22.468 -24.886 1.00 38.88 C +ATOM 3925 HA LEU B 113 -10.163 -21.845 -24.006 1.00 0.00 H +ATOM 3926 C LEU B 113 -10.569 -23.908 -24.449 1.00 38.88 C +ATOM 3927 O LEU B 113 -11.009 -24.715 -25.253 1.00 38.88 O +ATOM 3928 CB LEU B 113 -11.536 -21.939 -25.646 1.00 19.69 C +ATOM 3929 HB1 LEU B 113 -11.197 -21.109 -26.265 1.00 0.00 H +ATOM 3930 HB2 LEU B 113 -11.898 -22.744 -26.286 1.00 0.00 H +ATOM 3931 CG LEU B 113 -12.724 -21.440 -24.817 1.00 19.69 C +ATOM 3932 HG LEU B 113 -13.152 -22.299 -24.300 1.00 0.00 H +ATOM 3933 CD1 LEU B 113 -12.305 -20.421 -23.768 1.00 19.69 C +ATOM 3934 1HD1 LEU B 113 -11.585 -20.876 -23.088 1.00 0.00 H +ATOM 3935 2HD1 LEU B 113 -11.850 -19.561 -24.260 1.00 0.00 H +ATOM 3936 3HD1 LEU B 113 -13.182 -20.098 -23.207 1.00 0.00 H +ATOM 3937 CD2 LEU B 113 -13.733 -20.800 -25.740 1.00 19.69 C +ATOM 3938 1HD2 LEU B 113 -13.268 -19.962 -26.259 1.00 0.00 H +ATOM 3939 2HD2 LEU B 113 -14.075 -21.535 -26.468 1.00 0.00 H +ATOM 3940 3HD2 LEU B 113 -14.582 -20.442 -25.157 1.00 0.00 H +ATOM 3941 N ALA B 114 -10.286 -24.224 -23.183 1.00 54.79 N +ATOM 3942 H ALA B 114 -9.949 -23.477 -22.542 1.00 0.00 H +ATOM 3943 CA ALA B 114 -10.434 -25.587 -22.666 1.00 54.79 C +ATOM 3944 HA ALA B 114 -10.104 -26.218 -23.491 1.00 0.00 H +ATOM 3945 C ALA B 114 -11.840 -26.034 -22.360 1.00 54.79 C +ATOM 3946 O ALA B 114 -12.234 -27.139 -22.720 1.00 54.79 O +ATOM 3947 CB ALA B 114 -9.595 -25.772 -21.457 1.00 33.78 C +ATOM 3948 HB1 ALA B 114 -8.549 -25.599 -21.712 1.00 0.00 H +ATOM 3949 HB2 ALA B 114 -9.905 -25.063 -20.689 1.00 0.00 H +ATOM 3950 HB3 ALA B 114 -9.716 -26.789 -21.085 1.00 0.00 H +ATOM 3951 N ASN B 115 -12.553 -25.228 -21.592 1.00 51.18 N +ATOM 3952 H ASN B 115 -12.115 -24.351 -21.246 1.00 0.00 H +ATOM 3953 CA ASN B 115 -13.932 -25.521 -21.210 1.00 51.18 C +ATOM 3954 HA ASN B 115 -14.601 -25.599 -22.067 1.00 0.00 H +ATOM 3955 C ASN B 115 -14.292 -24.378 -20.287 1.00 51.18 C +ATOM 3956 O ASN B 115 -14.188 -24.486 -19.066 1.00 51.18 O +ATOM 3957 CB ASN B 115 -14.041 -26.881 -20.494 1.00120.69 C +ATOM 3958 HB1 ASN B 115 -14.985 -26.912 -19.949 1.00 0.00 H +ATOM 3959 HB2 ASN B 115 -14.030 -27.671 -21.245 1.00 0.00 H +ATOM 3960 CG ASN B 115 -12.904 -27.129 -19.511 1.00120.69 C +ATOM 3961 OD1 ASN B 115 -12.998 -26.776 -18.337 1.00120.69 O +ATOM 3962 ND2 ASN B 115 -11.833 -27.758 -19.984 1.00120.69 N +ATOM 3963 1HD2 ASN B 115 -11.033 -27.969 -19.354 1.00 0.00 H +ATOM 3964 2HD2 ASN B 115 -11.795 -28.039 -20.985 1.00 0.00 H +ATOM 3965 N ASP B 116 -14.658 -23.251 -20.888 1.00 80.89 N +ATOM 3966 H ASP B 116 -14.722 -23.228 -21.926 1.00 0.00 H +ATOM 3967 CA ASP B 116 -14.972 -22.046 -20.131 1.00 80.89 C +ATOM 3968 HA ASP B 116 -15.328 -21.282 -20.823 1.00 0.00 H +ATOM 3969 C ASP B 116 -13.703 -21.556 -19.427 1.00 80.89 C +ATOM 3970 O ASP B 116 -13.768 -20.773 -18.473 1.00 80.89 O +ATOM 3971 CB ASP B 116 -16.100 -22.284 -19.119 1.00147.23 C +ATOM 3972 HB1 ASP B 116 -16.141 -23.348 -18.885 1.00 0.00 H +ATOM 3973 HB2 ASP B 116 -15.880 -21.722 -18.211 1.00 0.00 H +ATOM 3974 CG ASP B 116 -17.456 -21.848 -19.645 1.00147.23 C +ATOM 3975 OD1 ASP B 116 -17.736 -20.630 -19.626 1.00147.23 O +ATOM 3976 OD2 ASP B 116 -18.241 -22.723 -20.070 1.00147.23 O +ATOM 3977 N GLU B 117 -12.556 -22.051 -19.893 1.00 48.02 N +ATOM 3978 H GLU B 117 -12.598 -22.745 -20.666 1.00 0.00 H +ATOM 3979 CA GLU B 117 -11.246 -21.671 -19.376 1.00 48.02 C +ATOM 3980 HA GLU B 117 -11.368 -20.835 -18.687 1.00 0.00 H +ATOM 3981 C GLU B 117 -10.368 -21.293 -20.558 1.00 48.02 C +ATOM 3982 O GLU B 117 -10.499 -21.875 -21.635 1.00 48.02 O +ATOM 3983 CB GLU B 117 -10.591 -22.806 -18.604 1.00 62.32 C +ATOM 3984 HB1 GLU B 117 -10.757 -23.735 -19.150 1.00 0.00 H +ATOM 3985 HB2 GLU B 117 -9.521 -22.609 -18.542 1.00 0.00 H +ATOM 3986 CG GLU B 117 -11.125 -22.972 -17.209 1.00 62.32 C +ATOM 3987 HG1 GLU B 117 -11.351 -21.987 -16.801 1.00 0.00 H +ATOM 3988 HG2 GLU B 117 -12.039 -23.565 -17.252 1.00 0.00 H +ATOM 3989 CD GLU B 117 -10.139 -23.663 -16.294 1.00 62.32 C +ATOM 3990 OE1 GLU B 117 -9.339 -24.493 -16.791 1.00 62.32 O +ATOM 3991 OE2 GLU B 117 -10.168 -23.369 -15.074 1.00 62.32 O +ATOM 3992 N LEU B 118 -9.432 -20.377 -20.332 1.00 30.46 N +ATOM 3993 H LEU B 118 -9.313 -19.999 -19.370 1.00 0.00 H +ATOM 3994 CA LEU B 118 -8.573 -19.892 -21.394 1.00 30.46 C +ATOM 3995 HA LEU B 118 -8.741 -20.500 -22.283 1.00 0.00 H +ATOM 3996 C LEU B 118 -7.090 -20.066 -21.098 1.00 30.46 C +ATOM 3997 O LEU B 118 -6.423 -19.178 -20.590 1.00 30.46 O +ATOM 3998 CB LEU B 118 -8.945 -18.436 -21.691 1.00 2.00 C +ATOM 3999 HB1 LEU B 118 -9.944 -18.460 -22.127 1.00 0.00 H +ATOM 4000 HB2 LEU B 118 -8.983 -17.929 -20.727 1.00 0.00 H +ATOM 4001 CG LEU B 118 -8.099 -17.547 -22.609 1.00 2.00 C +ATOM 4002 HG LEU B 118 -7.193 -17.242 -22.086 1.00 0.00 H +ATOM 4003 CD1 LEU B 118 -7.671 -18.292 -23.849 1.00 2.00 C +ATOM 4004 1HD1 LEU B 118 -7.078 -19.161 -23.563 1.00 0.00 H +ATOM 4005 2HD1 LEU B 118 -8.554 -18.618 -24.398 1.00 0.00 H +ATOM 4006 3HD1 LEU B 118 -7.073 -17.633 -24.479 1.00 0.00 H +ATOM 4007 CD2 LEU B 118 -8.924 -16.344 -22.983 1.00 2.00 C +ATOM 4008 1HD2 LEU B 118 -9.826 -16.670 -23.501 1.00 0.00 H +ATOM 4009 2HD2 LEU B 118 -9.199 -15.799 -22.080 1.00 0.00 H +ATOM 4010 3HD2 LEU B 118 -8.342 -15.695 -23.637 1.00 0.00 H +ATOM 4011 N ILE B 119 -6.567 -21.208 -21.500 1.00 18.37 N +ATOM 4012 H ILE B 119 -7.174 -21.889 -21.998 1.00 0.00 H +ATOM 4013 CA ILE B 119 -5.180 -21.547 -21.273 1.00 18.37 C +ATOM 4014 HA ILE B 119 -4.963 -21.282 -20.238 1.00 0.00 H +ATOM 4015 C ILE B 119 -4.230 -20.778 -22.186 1.00 18.37 C +ATOM 4016 O ILE B 119 -4.095 -21.121 -23.361 1.00 18.37 O +ATOM 4017 CB ILE B 119 -4.960 -23.054 -21.535 1.00 20.61 C +ATOM 4018 HB ILE B 119 -4.852 -23.199 -22.610 1.00 0.00 H +ATOM 4019 CG1 ILE B 119 -6.168 -23.871 -21.071 1.00 20.61 C +ATOM 4020 1HG1 ILE B 119 -7.035 -23.555 -21.652 1.00 0.00 H +ATOM 4021 2HG1 ILE B 119 -5.963 -24.923 -21.270 1.00 0.00 H +ATOM 4022 CG2 ILE B 119 -3.695 -23.533 -20.873 1.00 20.61 C +ATOM 4023 1HG2 ILE B 119 -2.845 -22.979 -21.272 1.00 0.00 H +ATOM 4024 2HG2 ILE B 119 -3.765 -23.369 -19.798 1.00 0.00 H +ATOM 4025 3HG2 ILE B 119 -3.562 -24.596 -21.072 1.00 0.00 H +ATOM 4026 CD1 ILE B 119 -6.504 -23.728 -19.614 1.00 20.61 C +ATOM 4027 1HD1 ILE B 119 -5.655 -24.053 -19.013 1.00 0.00 H +ATOM 4028 2HD1 ILE B 119 -6.727 -22.684 -19.395 1.00 0.00 H +ATOM 4029 3HD1 ILE B 119 -7.373 -24.344 -19.381 1.00 0.00 H +ATOM 4030 N LEU B 120 -3.547 -19.768 -21.653 1.00 20.35 N +ATOM 4031 H LEU B 120 -3.703 -19.520 -20.655 1.00 0.00 H +ATOM 4032 CA LEU B 120 -2.574 -18.993 -22.444 1.00 20.35 C +ATOM 4033 HA LEU B 120 -2.834 -19.108 -23.496 1.00 0.00 H +ATOM 4034 C LEU B 120 -1.159 -19.523 -22.227 1.00 20.35 C +ATOM 4035 O LEU B 120 -0.751 -19.774 -21.094 1.00 20.35 O +ATOM 4036 CB LEU B 120 -2.639 -17.504 -22.091 1.00 25.51 C +ATOM 4037 HB1 LEU B 120 -3.571 -17.123 -22.509 1.00 0.00 H +ATOM 4038 HB2 LEU B 120 -2.677 -17.440 -21.004 1.00 0.00 H +ATOM 4039 CG LEU B 120 -1.525 -16.552 -22.551 1.00 25.51 C +ATOM 4040 HG LEU B 120 -0.574 -16.922 -22.167 1.00 0.00 H +ATOM 4041 CD1 LEU B 120 -1.359 -16.502 -24.067 1.00 25.51 C +ATOM 4042 1HD1 LEU B 120 -1.114 -17.497 -24.437 1.00 0.00 H +ATOM 4043 2HD1 LEU B 120 -2.289 -16.163 -24.522 1.00 0.00 H +ATOM 4044 3HD1 LEU B 120 -0.556 -15.810 -24.321 1.00 0.00 H +ATOM 4045 CD2 LEU B 120 -1.845 -15.169 -22.003 1.00 25.51 C +ATOM 4046 1HD2 LEU B 120 -2.810 -14.841 -22.390 1.00 0.00 H +ATOM 4047 2HD2 LEU B 120 -1.884 -15.211 -20.915 1.00 0.00 H +ATOM 4048 3HD2 LEU B 120 -1.070 -14.468 -22.313 1.00 0.00 H +ATOM 4049 N THR B 121 -0.407 -19.676 -23.313 1.00 42.91 N +ATOM 4050 H THR B 121 -0.803 -19.417 -24.239 1.00 0.00 H +ATOM 4051 CA THR B 121 0.954 -20.195 -23.249 1.00 42.91 C +ATOM 4052 HA THR B 121 1.193 -20.292 -22.190 1.00 0.00 H +ATOM 4053 C THR B 121 1.930 -19.266 -23.928 1.00 42.91 C +ATOM 4054 O THR B 121 1.642 -18.744 -24.998 1.00 42.91 O +ATOM 4055 CB THR B 121 1.062 -21.554 -23.961 1.00 34.46 C +ATOM 4056 HB THR B 121 0.725 -21.429 -24.990 1.00 0.00 H +ATOM 4057 OG1 THR B 121 0.235 -22.516 -23.299 1.00 34.46 O +ATOM 4058 HG1 THR B 121 0.309 -23.388 -23.762 1.00 0.00 H +ATOM 4059 CG2 THR B 121 2.506 -22.045 -23.984 1.00 34.46 C +ATOM 4060 1HG2 THR B 121 2.858 -22.182 -22.962 1.00 0.00 H +ATOM 4061 2HG2 THR B 121 2.557 -22.994 -24.518 1.00 0.00 H +ATOM 4062 3HG2 THR B 121 3.131 -21.309 -24.489 1.00 0.00 H +ATOM 4063 N PHE B 122 3.096 -19.093 -23.318 1.00 19.23 N +ATOM 4064 H PHE B 122 3.268 -19.579 -22.415 1.00 0.00 H +ATOM 4065 CA PHE B 122 4.141 -18.247 -23.870 1.00 19.23 C +ATOM 4066 HA PHE B 122 3.831 -17.885 -24.850 1.00 0.00 H +ATOM 4067 C PHE B 122 5.400 -19.076 -23.912 1.00 19.23 C +ATOM 4068 O PHE B 122 5.813 -19.637 -22.901 1.00 19.23 O +ATOM 4069 CB PHE B 122 4.421 -17.060 -22.964 1.00 22.17 C +ATOM 4070 HB1 PHE B 122 4.481 -17.420 -21.937 1.00 0.00 H +ATOM 4071 HB2 PHE B 122 5.379 -16.628 -23.253 1.00 0.00 H +ATOM 4072 CG PHE B 122 3.395 -15.996 -23.023 1.00 22.17 C +ATOM 4073 CD1 PHE B 122 3.163 -15.312 -24.194 1.00 22.17 C +ATOM 4074 HD1 PHE B 122 3.707 -15.587 -25.098 1.00 0.00 H +ATOM 4075 CD2 PHE B 122 2.694 -15.638 -21.890 1.00 22.17 C +ATOM 4076 HD2 PHE B 122 2.870 -16.176 -20.959 1.00 0.00 H +ATOM 4077 CE1 PHE B 122 2.239 -14.272 -24.234 1.00 22.17 C +ATOM 4078 HE1 PHE B 122 2.063 -13.734 -25.166 1.00 0.00 H +ATOM 4079 CE2 PHE B 122 1.770 -14.605 -21.916 1.00 22.17 C +ATOM 4080 HE2 PHE B 122 1.225 -14.336 -21.011 1.00 0.00 H +ATOM 4081 CZ PHE B 122 1.542 -13.920 -23.088 1.00 22.17 C +ATOM 4082 HZ PHE B 122 0.818 -13.106 -23.115 1.00 0.00 H +ATOM 4083 N GLY B 123 6.021 -19.172 -25.071 1.00 35.10 N +ATOM 4084 H GLY B 123 5.638 -18.708 -25.919 1.00 0.00 H +ATOM 4085 CA GLY B 123 7.240 -19.933 -25.136 1.00 35.10 C +ATOM 4086 HA1 GLY B 123 7.416 -20.425 -24.179 1.00 0.00 H +ATOM 4087 HA2 GLY B 123 7.161 -20.685 -25.921 1.00 0.00 H +ATOM 4088 C GLY B 123 8.382 -18.999 -25.443 1.00 35.10 C +ATOM 4089 O GLY B 123 8.166 -17.886 -25.939 1.00 35.10 O +ATOM 4090 N ALA B 124 9.593 -19.436 -25.124 1.00 27.90 N +ATOM 4091 H ALA B 124 9.688 -20.362 -24.660 1.00 0.00 H +ATOM 4092 CA ALA B 124 10.790 -18.664 -25.401 1.00 27.90 C +ATOM 4093 HA ALA B 124 10.778 -18.294 -26.426 1.00 0.00 H +ATOM 4094 C ALA B 124 11.964 -19.580 -25.170 1.00 27.90 C +ATOM 4095 O ALA B 124 12.640 -19.452 -24.162 1.00 27.90 O +ATOM 4096 CB ALA B 124 10.876 -17.449 -24.497 1.00 12.95 C +ATOM 4097 HB1 ALA B 124 10.005 -16.814 -24.660 1.00 0.00 H +ATOM 4098 HB2 ALA B 124 10.902 -17.773 -23.457 1.00 0.00 H +ATOM 4099 HB3 ALA B 124 11.783 -16.890 -24.727 1.00 0.00 H +ATOM 4100 N ASP B 125 12.176 -20.519 -26.090 1.00 76.85 N +ATOM 4101 H ASP B 125 11.540 -20.570 -26.911 1.00 0.00 H +ATOM 4102 CA ASP B 125 13.272 -21.481 -25.986 1.00 76.85 C +ATOM 4103 HA ASP B 125 13.275 -22.062 -26.908 1.00 0.00 H +ATOM 4104 C ASP B 125 13.067 -22.369 -24.768 1.00 76.85 C +ATOM 4105 O ASP B 125 13.390 -21.955 -23.661 1.00 76.85 O +ATOM 4106 CB ASP B 125 14.631 -20.775 -25.809 1.00 72.87 C +ATOM 4107 HB1 ASP B 125 14.520 -19.999 -25.052 1.00 0.00 H +ATOM 4108 HB2 ASP B 125 15.360 -21.511 -25.469 1.00 0.00 H +ATOM 4109 CG ASP B 125 15.153 -20.136 -27.073 1.00 72.87 C +ATOM 4110 OD1 ASP B 125 14.527 -20.291 -28.142 1.00 72.87 O +ATOM 4111 OD2 ASP B 125 16.213 -19.481 -26.993 1.00 72.87 O +ATOM 4112 N ASP B 126 12.584 -23.594 -24.968 1.00 61.12 N +ATOM 4113 H ASP B 126 12.352 -23.891 -25.937 1.00 0.00 H +ATOM 4114 CA ASP B 126 12.369 -24.538 -23.866 1.00 61.12 C +ATOM 4115 HA ASP B 126 12.068 -25.489 -24.307 1.00 0.00 H +ATOM 4116 C ASP B 126 11.293 -24.009 -22.939 1.00 61.12 C +ATOM 4117 O ASP B 126 10.233 -24.615 -22.789 1.00 61.12 O +ATOM 4118 CB ASP B 126 13.654 -24.753 -23.041 1.00159.99 C +ATOM 4119 HB1 ASP B 126 13.898 -23.821 -22.531 1.00 0.00 H +ATOM 4120 HB2 ASP B 126 13.465 -25.532 -22.302 1.00 0.00 H +ATOM 4121 CG ASP B 126 14.846 -25.167 -23.883 1.00159.99 C +ATOM 4122 OD1 ASP B 126 14.713 -26.106 -24.695 1.00159.99 O +ATOM 4123 OD2 ASP B 126 15.926 -24.560 -23.714 1.00159.99 O +ATOM 4124 N VAL B 127 11.617 -22.905 -22.273 1.00 48.94 N +ATOM 4125 H VAL B 127 12.561 -22.499 -22.435 1.00 0.00 H +ATOM 4126 CA VAL B 127 10.742 -22.230 -21.336 1.00 48.94 C +ATOM 4127 HA VAL B 127 10.664 -22.885 -20.468 1.00 0.00 H +ATOM 4128 C VAL B 127 9.312 -22.048 -21.842 1.00 48.94 C +ATOM 4129 O VAL B 127 9.060 -21.489 -22.911 1.00 48.94 O +ATOM 4130 CB VAL B 127 11.354 -20.875 -20.906 1.00 9.22 C +ATOM 4131 HB VAL B 127 11.363 -20.210 -21.770 1.00 0.00 H +ATOM 4132 CG1 VAL B 127 10.514 -20.208 -19.811 1.00 9.22 C +ATOM 4133 1HG1 VAL B 127 9.506 -20.031 -20.185 1.00 0.00 H +ATOM 4134 2HG1 VAL B 127 10.470 -20.862 -18.940 1.00 0.00 H +ATOM 4135 3HG1 VAL B 127 10.971 -19.259 -19.532 1.00 0.00 H +ATOM 4136 CG2 VAL B 127 12.777 -21.094 -20.416 1.00 9.22 C +ATOM 4137 1HG2 VAL B 127 12.766 -21.775 -19.565 1.00 0.00 H +ATOM 4138 2HG2 VAL B 127 13.374 -21.524 -21.220 1.00 0.00 H +ATOM 4139 3HG2 VAL B 127 13.207 -20.139 -20.114 1.00 0.00 H +ATOM 4140 N VAL B 128 8.391 -22.579 -21.052 1.00 28.88 N +ATOM 4141 H VAL B 128 8.708 -23.064 -20.189 1.00 0.00 H +ATOM 4142 CA VAL B 128 6.977 -22.524 -21.318 1.00 28.88 C +ATOM 4143 HA VAL B 128 6.758 -21.914 -22.194 1.00 0.00 H +ATOM 4144 C VAL B 128 6.317 -21.938 -20.068 1.00 28.88 C +ATOM 4145 O VAL B 128 6.525 -22.402 -18.942 1.00 28.88 O +ATOM 4146 CB VAL B 128 6.457 -23.924 -21.575 1.00 20.46 C +ATOM 4147 HB VAL B 128 6.731 -24.567 -20.739 1.00 0.00 H +ATOM 4148 CG1 VAL B 128 4.949 -23.923 -21.684 1.00 20.46 C +ATOM 4149 1HG1 VAL B 128 4.519 -23.552 -20.754 1.00 0.00 H +ATOM 4150 2HG1 VAL B 128 4.646 -23.277 -22.508 1.00 0.00 H +ATOM 4151 3HG1 VAL B 128 4.599 -24.939 -21.868 1.00 0.00 H +ATOM 4152 CG2 VAL B 128 7.068 -24.450 -22.826 1.00 20.46 C +ATOM 4153 1HG2 VAL B 128 6.801 -23.801 -23.660 1.00 0.00 H +ATOM 4154 2HG2 VAL B 128 8.152 -24.476 -22.716 1.00 0.00 H +ATOM 4155 3HG2 VAL B 128 6.697 -25.457 -23.015 1.00 0.00 H +ATOM 4156 N CYS B 129 5.543 -20.891 -20.277 1.00 21.90 N +ATOM 4157 H CYS B 129 5.419 -20.539 -21.248 1.00 0.00 H +ATOM 4158 CA CYS B 129 4.865 -20.223 -19.198 1.00 21.90 C +ATOM 4159 HA CYS B 129 5.129 -20.636 -18.224 1.00 0.00 H +ATOM 4160 C CYS B 129 3.389 -20.385 -19.458 1.00 21.90 C +ATOM 4161 O CYS B 129 2.906 -20.006 -20.529 1.00 21.90 O +ATOM 4162 CB CYS B 129 5.253 -18.754 -19.213 1.00 19.34 C +ATOM 4163 HB1 CYS B 129 5.290 -18.422 -20.250 1.00 0.00 H +ATOM 4164 HB2 CYS B 129 6.243 -18.658 -18.767 1.00 0.00 H +ATOM 4165 SG CYS B 129 4.141 -17.691 -18.329 1.00 19.34 S +ATOM 4166 HG CYS B 129 4.089 -18.080 -17.006 1.00 0.00 H +ATOM 4167 N THR B 130 2.672 -20.997 -18.519 1.00 2.00 N +ATOM 4168 H THR B 130 3.135 -21.346 -17.655 1.00 0.00 H +ATOM 4169 CA THR B 130 1.242 -21.177 -18.702 1.00 2.00 C +ATOM 4170 HA THR B 130 1.020 -20.884 -19.728 1.00 0.00 H +ATOM 4171 C THR B 130 0.473 -20.314 -17.725 1.00 2.00 C +ATOM 4172 O THR B 130 0.744 -20.318 -16.521 1.00 2.00 O +ATOM 4173 CB THR B 130 0.817 -22.612 -18.509 1.00 24.90 C +ATOM 4174 HB THR B 130 0.912 -22.880 -17.457 1.00 0.00 H +ATOM 4175 OG1 THR B 130 1.645 -23.461 -19.304 1.00 24.90 O +ATOM 4176 HG1 THR B 130 1.367 -24.403 -19.178 1.00 0.00 H +ATOM 4177 CG2 THR B 130 -0.614 -22.773 -18.950 1.00 24.90 C +ATOM 4178 1HG2 THR B 130 -0.703 -22.496 -20.000 1.00 0.00 H +ATOM 4179 2HG2 THR B 130 -0.918 -23.812 -18.820 1.00 0.00 H +ATOM 4180 3HG2 THR B 130 -1.253 -22.128 -18.348 1.00 0.00 H +ATOM 4181 N ARG B 131 -0.475 -19.555 -18.252 1.00 23.85 N +ATOM 4182 H ARG B 131 -0.634 -19.582 -19.279 1.00 0.00 H +ATOM 4183 CA ARG B 131 -1.293 -18.691 -17.435 1.00 23.85 C +ATOM 4184 HA ARG B 131 -1.127 -18.769 -16.361 1.00 0.00 H +ATOM 4185 C ARG B 131 -2.707 -19.111 -17.797 1.00 23.85 C +ATOM 4186 O ARG B 131 -3.030 -19.237 -18.978 1.00 23.85 O +ATOM 4187 CB ARG B 131 -0.983 -17.243 -17.791 1.00 20.40 C +ATOM 4188 HB1 ARG B 131 -1.177 -17.084 -18.852 1.00 0.00 H +ATOM 4189 HB2 ARG B 131 -1.622 -16.584 -17.204 1.00 0.00 H +ATOM 4190 CG ARG B 131 0.484 -16.923 -17.492 1.00 20.40 C +ATOM 4191 HG1 ARG B 131 0.611 -16.884 -16.410 1.00 0.00 H +ATOM 4192 HG2 ARG B 131 1.098 -17.726 -17.900 1.00 0.00 H +ATOM 4193 CD ARG B 131 0.971 -15.612 -18.074 1.00 20.40 C +ATOM 4194 HD1 ARG B 131 0.860 -15.651 -19.158 1.00 0.00 H +ATOM 4195 HD2 ARG B 131 2.025 -15.491 -17.822 1.00 0.00 H +ATOM 4196 NE ARG B 131 0.238 -14.456 -17.573 1.00 20.40 N +ATOM 4197 HE ARG B 131 -0.399 -13.966 -18.233 1.00 0.00 H +ATOM 4198 CZ ARG B 131 0.324 -13.982 -16.335 1.00 20.40 C +ATOM 4199 NH1 ARG B 131 1.107 -14.568 -15.444 1.00 20.40 N +ATOM 4200 1HH1 ARG B 131 1.661 -15.407 -15.711 1.00 0.00 H +ATOM 4201 2HH1 ARG B 131 1.168 -14.190 -14.477 1.00 0.00 H +ATOM 4202 NH2 ARG B 131 -0.326 -12.871 -16.007 1.00 20.40 N +ATOM 4203 1HH2 ARG B 131 -0.900 -12.375 -16.718 1.00 0.00 H +ATOM 4204 2HH2 ARG B 131 -0.261 -12.497 -15.039 1.00 0.00 H +ATOM 4205 N ILE B 132 -3.524 -19.408 -16.790 1.00 18.33 N +ATOM 4206 H ILE B 132 -3.181 -19.305 -15.814 1.00 0.00 H +ATOM 4207 CA ILE B 132 -4.885 -19.873 -17.016 1.00 18.33 C +ATOM 4208 HA ILE B 132 -5.000 -20.111 -18.073 1.00 0.00 H +ATOM 4209 C ILE B 132 -5.882 -18.809 -16.648 1.00 18.33 C +ATOM 4210 O ILE B 132 -5.866 -18.327 -15.535 1.00 18.33 O +ATOM 4211 CB ILE B 132 -5.140 -21.106 -16.162 1.00 2.00 C +ATOM 4212 HB ILE B 132 -4.977 -20.834 -15.119 1.00 0.00 H +ATOM 4213 CG1 ILE B 132 -4.192 -22.203 -16.581 1.00 2.00 C +ATOM 4214 1HG1 ILE B 132 -4.413 -22.496 -17.607 1.00 0.00 H +ATOM 4215 2HG1 ILE B 132 -3.168 -21.834 -16.522 1.00 0.00 H +ATOM 4216 CG2 ILE B 132 -6.566 -21.600 -16.299 1.00 2.00 C +ATOM 4217 1HG2 ILE B 132 -7.253 -20.815 -15.982 1.00 0.00 H +ATOM 4218 2HG2 ILE B 132 -6.762 -21.857 -17.340 1.00 0.00 H +ATOM 4219 3HG2 ILE B 132 -6.706 -22.481 -15.673 1.00 0.00 H +ATOM 4220 CD1 ILE B 132 -4.334 -23.358 -15.714 1.00 2.00 C +ATOM 4221 1HD1 ILE B 132 -4.110 -23.070 -14.687 1.00 0.00 H +ATOM 4222 2HD1 ILE B 132 -5.356 -23.732 -15.773 1.00 0.00 H +ATOM 4223 3HD1 ILE B 132 -3.642 -24.137 -16.033 1.00 0.00 H +ATOM 4224 N TYR B 133 -6.754 -18.448 -17.578 1.00 34.61 N +ATOM 4225 H TYR B 133 -6.726 -18.914 -18.507 1.00 0.00 H +ATOM 4226 CA TYR B 133 -7.751 -17.414 -17.332 1.00 34.61 C +ATOM 4227 HA TYR B 133 -7.450 -16.835 -16.459 1.00 0.00 H +ATOM 4228 C TYR B 133 -9.101 -18.039 -17.048 1.00 34.61 C +ATOM 4229 O TYR B 133 -9.305 -19.211 -17.323 1.00 34.61 O +ATOM 4230 CB TYR B 133 -7.840 -16.482 -18.536 1.00 14.31 C +ATOM 4231 HB1 TYR B 133 -7.885 -17.088 -19.441 1.00 0.00 H +ATOM 4232 HB2 TYR B 133 -8.752 -15.891 -18.451 1.00 0.00 H +ATOM 4233 CG TYR B 133 -6.677 -15.549 -18.645 1.00 14.31 C +ATOM 4234 CD1 TYR B 133 -5.465 -15.965 -19.158 1.00 14.31 C +ATOM 4235 HD1 TYR B 133 -5.367 -16.975 -19.555 1.00 0.00 H +ATOM 4236 CD2 TYR B 133 -6.779 -14.271 -18.165 1.00 14.31 C +ATOM 4237 HD2 TYR B 133 -7.734 -13.923 -17.772 1.00 0.00 H +ATOM 4238 CE1 TYR B 133 -4.379 -15.121 -19.175 1.00 14.31 C +ATOM 4239 HE1 TYR B 133 -3.425 -15.457 -19.582 1.00 0.00 H +ATOM 4240 CE2 TYR B 133 -5.705 -13.420 -18.168 1.00 14.31 C +ATOM 4241 HE2 TYR B 133 -5.805 -12.410 -17.771 1.00 0.00 H +ATOM 4242 CZ TYR B 133 -4.511 -13.844 -18.671 1.00 14.31 C +ATOM 4243 OH TYR B 133 -3.455 -12.966 -18.637 1.00 14.31 O +ATOM 4244 HH TYR B 133 -2.656 -13.398 -19.030 1.00 0.00 H +ATOM 4245 N VAL B 134 -10.037 -17.226 -16.571 1.00 19.88 N +ATOM 4246 H VAL B 134 -9.804 -16.220 -16.447 1.00 0.00 H +ATOM 4247 CA VAL B 134 -11.379 -17.681 -16.212 1.00 19.88 C +ATOM 4248 HA VAL B 134 -11.658 -18.513 -16.859 1.00 0.00 H +ATOM 4249 C VAL B 134 -12.385 -16.537 -16.391 1.00 19.88 C +ATOM 4250 O VAL B 134 -12.133 -15.403 -15.963 1.00 19.88 O +ATOM 4251 CB VAL B 134 -11.388 -18.135 -14.733 1.00 19.92 C +ATOM 4252 HB VAL B 134 -10.585 -17.615 -14.211 1.00 0.00 H +ATOM 4253 CG1 VAL B 134 -12.696 -17.769 -14.058 1.00 19.92 C +ATOM 4254 1HG1 VAL B 134 -12.831 -16.688 -14.093 1.00 0.00 H +ATOM 4255 2HG1 VAL B 134 -13.521 -18.256 -14.578 1.00 0.00 H +ATOM 4256 3HG1 VAL B 134 -12.673 -18.101 -13.020 1.00 0.00 H +ATOM 4257 CG2 VAL B 134 -11.144 -19.624 -14.644 1.00 19.92 C +ATOM 4258 1HG2 VAL B 134 -11.929 -20.152 -15.185 1.00 0.00 H +ATOM 4259 2HG2 VAL B 134 -10.175 -19.859 -15.085 1.00 0.00 H +ATOM 4260 3HG2 VAL B 134 -11.153 -19.930 -13.598 1.00 0.00 H +ATOM 4261 N ARG B 135 -13.526 -16.830 -17.001 1.00 49.79 N +ATOM 4262 H ARG B 135 -13.704 -17.800 -17.332 1.00 0.00 H +ATOM 4263 CA ARG B 135 -14.528 -15.796 -17.207 1.00 49.79 C +ATOM 4264 HA ARG B 135 -14.111 -15.050 -17.883 1.00 0.00 H +ATOM 4265 C ARG B 135 -14.870 -15.109 -15.893 1.00 49.79 C +ATOM 4266 O ARG B 135 -15.145 -15.774 -14.890 1.00 49.79 O +ATOM 4267 CB ARG B 135 -15.782 -16.375 -17.859 1.00 61.92 C +ATOM 4268 HB1 ARG B 135 -15.941 -17.382 -17.474 1.00 0.00 H +ATOM 4269 HB2 ARG B 135 -16.633 -15.748 -17.594 1.00 0.00 H +ATOM 4270 CG ARG B 135 -15.685 -16.445 -19.368 1.00 61.92 C +ATOM 4271 HG1 ARG B 135 -15.439 -15.454 -19.750 1.00 0.00 H +ATOM 4272 HG2 ARG B 135 -14.892 -17.143 -19.636 1.00 0.00 H +ATOM 4273 CD ARG B 135 -16.985 -16.909 -20.011 1.00 61.92 C +ATOM 4274 HD1 ARG B 135 -17.820 -16.394 -19.537 1.00 0.00 H +ATOM 4275 HD2 ARG B 135 -17.091 -17.984 -19.863 1.00 0.00 H +ATOM 4276 NE ARG B 135 -16.998 -16.620 -21.447 1.00 61.92 N +ATOM 4277 HE ARG B 135 -17.256 -15.656 -21.741 1.00 0.00 H +ATOM 4278 CZ ARG B 135 -16.705 -17.497 -22.404 1.00 61.92 C +ATOM 4279 NH1 ARG B 135 -16.373 -18.746 -22.106 1.00 61.92 N +ATOM 4280 1HH1 ARG B 135 -16.339 -19.052 -21.113 1.00 0.00 H +ATOM 4281 2HH1 ARG B 135 -16.147 -19.419 -22.866 1.00 0.00 H +ATOM 4282 NH2 ARG B 135 -16.726 -17.110 -23.669 1.00 61.92 N +ATOM 4283 1HH2 ARG B 135 -16.970 -16.128 -23.908 1.00 0.00 H +ATOM 4284 2HH2 ARG B 135 -16.499 -17.788 -24.424 1.00 0.00 H +ATOM 4285 N GLU B 136 -14.783 -13.781 -15.888 1.00 81.57 N +ATOM 4286 H GLU B 136 -14.495 -13.292 -16.760 1.00 0.00 H +ATOM 4287 CA GLU B 136 -15.078 -12.989 -14.700 1.00 81.57 C +ATOM 4288 HA GLU B 136 -14.499 -13.403 -13.875 1.00 0.00 H +ATOM 4289 C GLU B 136 -16.551 -13.068 -14.331 1.00 81.57 C +ATOM 4290 O GLU B 136 -17.392 -12.634 -15.145 1.00 81.57 O +ATOM 4291 CB GLU B 136 -14.674 -11.532 -14.918 1.00 93.38 C +ATOM 4292 HB1 GLU B 136 -13.611 -11.504 -15.155 1.00 0.00 H +ATOM 4293 HB2 GLU B 136 -15.244 -11.142 -15.761 1.00 0.00 H +ATOM 4294 CG GLU B 136 -14.918 -10.634 -13.724 1.00 93.38 C +ATOM 4295 HG1 GLU B 136 -15.979 -10.662 -13.474 1.00 0.00 H +ATOM 4296 HG2 GLU B 136 -14.337 -11.005 -12.880 1.00 0.00 H +ATOM 4297 CD GLU B 136 -14.518 -9.200 -14.000 1.00 93.38 C +ATOM 4298 OE1 GLU B 136 -13.325 -8.962 -14.309 1.00 93.38 O +ATOM 4299 OE2 GLU B 136 -15.396 -8.313 -13.914 1.00 93.38 O +ATOM 4300 OXT GLU B 136 -16.843 -13.580 -13.231 1.00 81.57 O +TER +END diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000000000000000000000000000000000000..3c4b3efd088a5e11eca66312c6c248096745375c --- /dev/null +++ b/requirements.txt @@ -0,0 +1,29 @@ +biopandas==0.4.1 +biopython==1.79 +e3nn==0.5.0 +jinja2==3.1.2 +joblib==1.2.0 +markupsafe==2.1.1 +mpmath==1.2.1 +networkx==2.8.7 +opt-einsum==3.3.0 +opt-einsum-fx==0.1.4 +packaging==21.3 +pandas==1.5.0 +scikit-learn==1.1.2 +scipy==1.9.1 +spyrmsd==0.5.2 +sympy==1.11.1 +spyrmsd==0.5.2 +sympy==1.11.1 +pytorch==1.12.1 +numpy==1.23.1 +torchaudio=0.12.1 +torchvision=0.13.1 +rdkit-pypi==2022.3.5 +torch-scatter +torch-sparse +torch-cluster +torch-spline-conv +torch-geometric +-f https://data.pyg.org/whl/torch-1.12.0+cu102.html